USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 954 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 51 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.00738 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.398 USER MOD Single : A 6 SER OG : rot 17:sc= 0.224 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0727 (180deg=-0.464) USER MOD Single : A 17 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.07! C(o=-1.1!,f=-1.5!) USER MOD Single : A 23 THR OG1 : rot -120:sc= -0.876 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.132 USER MOD Single : A 27 CYS SG : rot 180:sc= -0.206 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -170:sc= 0.617 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 48 CYS SG : rot -120:sc= 0.0396 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0934 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0766) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -80:sc= 0.392 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 68 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.2!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.74 K(o=0.74,f=-3.3!) USER MOD Single : A 73 TYR OH : rot -159:sc= 0.764 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -0.0128 (180deg=-0.174) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -129:sc= -2.12! (180deg=-4.13!) USER MOD Single : A 83 TYR OH : rot -73:sc= 0.113 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 149:sc= -0.0233 (180deg=-0.389) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -0.174 F(o=-3,f=-0.17) USER MOD Single : A 100 TYR OH : rot 130:sc= -0.151 USER MOD Single : A 101 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-3.2!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -9.39! C(o=-9.4!,f=-15!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 24:sc= 0.364 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.382 2.411 1.749 1.00 0.00 N ATOM 2 CA GLY A 1 -24.825 2.796 0.466 1.00 0.00 C ATOM 3 C GLY A 1 -25.853 2.761 -0.647 1.00 0.00 C ATOM 4 O GLY A 1 -26.710 1.878 -0.682 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.759 1.712 2.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.462 3.250 2.359 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.325 1.995 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.409 3.801 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.001 2.128 0.216 1.00 0.00 H new ATOM 8 N SER A 2 -25.770 3.725 -1.558 1.00 0.00 N ATOM 9 CA SER A 2 -26.705 3.805 -2.675 1.00 0.00 C ATOM 10 C SER A 2 -26.252 2.912 -3.826 1.00 0.00 C ATOM 11 O SER A 2 -26.328 3.299 -4.993 1.00 0.00 O ATOM 12 CB SER A 2 -26.835 5.251 -3.156 1.00 0.00 C ATOM 13 OG SER A 2 -27.801 5.956 -2.396 1.00 0.00 O ATOM 0 H SER A 2 -25.065 4.462 -1.545 1.00 0.00 H new ATOM 0 HA SER A 2 -27.678 3.457 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.870 5.752 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.116 5.263 -4.209 1.00 0.00 H new ATOM 0 HG SER A 2 -27.864 6.878 -2.722 1.00 0.00 H new ATOM 19 N SER A 3 -25.781 1.716 -3.490 1.00 0.00 N ATOM 20 CA SER A 3 -25.312 0.769 -4.494 1.00 0.00 C ATOM 21 C SER A 3 -26.354 0.583 -5.594 1.00 0.00 C ATOM 22 O SER A 3 -27.446 0.072 -5.350 1.00 0.00 O ATOM 23 CB SER A 3 -24.993 -0.579 -3.845 1.00 0.00 C ATOM 24 OG SER A 3 -24.612 -1.537 -4.818 1.00 0.00 O ATOM 0 H SER A 3 -25.714 1.380 -2.529 1.00 0.00 H new ATOM 0 HA SER A 3 -24.404 1.172 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.190 -0.455 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.865 -0.938 -3.298 1.00 0.00 H new ATOM 0 HG SER A 3 -24.412 -2.389 -4.377 1.00 0.00 H new ATOM 30 N GLY A 4 -26.006 1.001 -6.807 1.00 0.00 N ATOM 31 CA GLY A 4 -26.921 0.873 -7.926 1.00 0.00 C ATOM 32 C GLY A 4 -26.269 0.236 -9.138 1.00 0.00 C ATOM 33 O GLY A 4 -25.408 -0.633 -9.002 1.00 0.00 O ATOM 0 H GLY A 4 -25.107 1.426 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.780 0.274 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.299 1.859 -8.197 1.00 0.00 H new ATOM 37 N SER A 5 -26.681 0.668 -10.325 1.00 0.00 N ATOM 38 CA SER A 5 -26.135 0.130 -11.566 1.00 0.00 C ATOM 39 C SER A 5 -24.650 0.457 -11.693 1.00 0.00 C ATOM 40 O SER A 5 -24.252 1.621 -11.630 1.00 0.00 O ATOM 41 CB SER A 5 -26.897 0.690 -12.768 1.00 0.00 C ATOM 42 OG SER A 5 -26.647 2.075 -12.930 1.00 0.00 O ATOM 0 H SER A 5 -27.391 1.389 -10.454 1.00 0.00 H new ATOM 0 HA SER A 5 -26.250 -0.954 -11.545 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.601 0.156 -13.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.966 0.523 -12.635 1.00 0.00 H new ATOM 0 HG SER A 5 -25.825 2.317 -12.455 1.00 0.00 H new ATOM 48 N SER A 6 -23.836 -0.578 -11.872 1.00 0.00 N ATOM 49 CA SER A 6 -22.394 -0.402 -12.004 1.00 0.00 C ATOM 50 C SER A 6 -21.796 -1.478 -12.906 1.00 0.00 C ATOM 51 O SER A 6 -21.853 -2.667 -12.594 1.00 0.00 O ATOM 52 CB SER A 6 -21.725 -0.443 -10.629 1.00 0.00 C ATOM 53 OG SER A 6 -21.818 0.813 -9.979 1.00 0.00 O ATOM 0 H SER A 6 -24.150 -1.547 -11.929 1.00 0.00 H new ATOM 0 HA SER A 6 -22.212 0.572 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.196 -1.210 -10.014 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.677 -0.722 -10.739 1.00 0.00 H new ATOM 0 HG SER A 6 -22.512 1.354 -10.411 1.00 0.00 H new ATOM 59 N GLY A 7 -21.222 -1.051 -14.026 1.00 0.00 N ATOM 60 CA GLY A 7 -20.622 -1.989 -14.957 1.00 0.00 C ATOM 61 C GLY A 7 -19.509 -1.363 -15.774 1.00 0.00 C ATOM 62 O GLY A 7 -19.493 -1.474 -16.999 1.00 0.00 O ATOM 0 H GLY A 7 -21.162 -0.072 -14.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.228 -2.842 -14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.391 -2.372 -15.629 1.00 0.00 H new ATOM 66 N GLU A 8 -18.577 -0.702 -15.094 1.00 0.00 N ATOM 67 CA GLU A 8 -17.457 -0.054 -15.767 1.00 0.00 C ATOM 68 C GLU A 8 -16.443 -1.086 -16.252 1.00 0.00 C ATOM 69 O GLU A 8 -16.429 -2.225 -15.785 1.00 0.00 O ATOM 70 CB GLU A 8 -16.777 0.943 -14.827 1.00 0.00 C ATOM 71 CG GLU A 8 -16.166 2.136 -15.543 1.00 0.00 C ATOM 72 CD GLU A 8 -17.206 3.146 -15.986 1.00 0.00 C ATOM 73 OE1 GLU A 8 -17.542 4.043 -15.185 1.00 0.00 O ATOM 74 OE2 GLU A 8 -17.685 3.039 -17.135 1.00 0.00 O ATOM 0 H GLU A 8 -18.575 -0.601 -14.079 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.847 0.481 -16.633 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.507 1.301 -14.101 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.997 0.427 -14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.450 2.624 -14.882 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.610 1.787 -16.413 1.00 0.00 H new ATOM 81 N ASP A 9 -15.597 -0.679 -17.191 1.00 0.00 N ATOM 82 CA ASP A 9 -14.578 -1.567 -17.740 1.00 0.00 C ATOM 83 C ASP A 9 -13.214 -0.886 -17.753 1.00 0.00 C ATOM 84 O ASP A 9 -12.974 0.032 -18.539 1.00 0.00 O ATOM 85 CB ASP A 9 -14.959 -2.001 -19.156 1.00 0.00 C ATOM 86 CG ASP A 9 -14.205 -3.237 -19.605 1.00 0.00 C ATOM 87 OD1 ASP A 9 -14.315 -4.280 -18.927 1.00 0.00 O ATOM 88 OD2 ASP A 9 -13.504 -3.161 -20.636 1.00 0.00 O ATOM 0 H ASP A 9 -15.596 0.260 -17.589 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.517 -2.449 -17.102 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.030 -2.198 -19.197 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.758 -1.184 -19.850 1.00 0.00 H new ATOM 93 N TYR A 10 -12.323 -1.339 -16.878 1.00 0.00 N ATOM 94 CA TYR A 10 -10.983 -0.771 -16.787 1.00 0.00 C ATOM 95 C TYR A 10 -9.921 -1.860 -16.906 1.00 0.00 C ATOM 96 O TYR A 10 -9.352 -2.299 -15.907 1.00 0.00 O ATOM 97 CB TYR A 10 -10.814 -0.021 -15.465 1.00 0.00 C ATOM 98 CG TYR A 10 -11.296 1.411 -15.516 1.00 0.00 C ATOM 99 CD1 TYR A 10 -12.606 1.712 -15.868 1.00 0.00 C ATOM 100 CD2 TYR A 10 -10.442 2.464 -15.211 1.00 0.00 C ATOM 101 CE1 TYR A 10 -13.051 3.019 -15.917 1.00 0.00 C ATOM 102 CE2 TYR A 10 -10.879 3.774 -15.256 1.00 0.00 C ATOM 103 CZ TYR A 10 -12.184 4.046 -15.610 1.00 0.00 C ATOM 104 OH TYR A 10 -12.623 5.350 -15.656 1.00 0.00 O ATOM 0 H TYR A 10 -12.505 -2.098 -16.221 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.855 -0.072 -17.613 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.359 -0.551 -14.684 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.761 -0.031 -15.183 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -13.288 0.910 -16.108 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.419 2.255 -14.934 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -14.072 3.235 -16.194 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.202 4.581 -15.015 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.889 5.951 -15.411 1.00 0.00 H new ATOM 114 N GLU A 11 -9.659 -2.290 -18.137 1.00 0.00 N ATOM 115 CA GLU A 11 -8.665 -3.327 -18.387 1.00 0.00 C ATOM 116 C GLU A 11 -7.357 -2.719 -18.885 1.00 0.00 C ATOM 117 O GLU A 11 -7.324 -1.573 -19.336 1.00 0.00 O ATOM 118 CB GLU A 11 -9.194 -4.335 -19.410 1.00 0.00 C ATOM 119 CG GLU A 11 -9.990 -5.471 -18.790 1.00 0.00 C ATOM 120 CD GLU A 11 -10.025 -6.706 -19.668 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.953 -7.308 -19.889 1.00 0.00 O ATOM 122 OE2 GLU A 11 -11.124 -7.072 -20.134 1.00 0.00 O ATOM 0 H GLU A 11 -10.121 -1.937 -18.975 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.471 -3.842 -17.446 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.823 -3.812 -20.130 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.353 -4.752 -19.965 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.556 -5.729 -17.824 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.010 -5.135 -18.602 1.00 0.00 H new ATOM 129 N LYS A 12 -6.281 -3.493 -18.800 1.00 0.00 N ATOM 130 CA LYS A 12 -4.970 -3.033 -19.242 1.00 0.00 C ATOM 131 C LYS A 12 -4.617 -1.696 -18.600 1.00 0.00 C ATOM 132 O LYS A 12 -3.824 -0.926 -19.141 1.00 0.00 O ATOM 133 CB LYS A 12 -4.940 -2.902 -20.767 1.00 0.00 C ATOM 134 CG LYS A 12 -5.727 -3.984 -21.486 1.00 0.00 C ATOM 135 CD LYS A 12 -4.847 -5.169 -21.846 1.00 0.00 C ATOM 136 CE LYS A 12 -4.685 -6.121 -20.672 1.00 0.00 C ATOM 137 NZ LYS A 12 -5.969 -6.785 -20.314 1.00 0.00 N ATOM 0 H LYS A 12 -6.291 -4.443 -18.429 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.231 -3.771 -18.932 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.339 -1.927 -21.047 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.904 -2.932 -21.106 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.548 -4.319 -20.853 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.171 -3.571 -22.392 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.282 -5.703 -22.691 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.867 -4.812 -22.164 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.941 -6.878 -20.919 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.307 -5.572 -19.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.772 -7.673 -19.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.527 -6.155 -19.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.506 -6.991 -21.180 1.00 0.00 H new ATOM 151 N VAL A 13 -5.211 -1.426 -17.441 1.00 0.00 N ATOM 152 CA VAL A 13 -4.958 -0.183 -16.724 1.00 0.00 C ATOM 153 C VAL A 13 -3.781 -0.331 -15.766 1.00 0.00 C ATOM 154 O VAL A 13 -3.527 -1.403 -15.217 1.00 0.00 O ATOM 155 CB VAL A 13 -6.198 0.270 -15.930 1.00 0.00 C ATOM 156 CG1 VAL A 13 -7.381 0.481 -16.863 1.00 0.00 C ATOM 157 CG2 VAL A 13 -6.536 -0.743 -14.847 1.00 0.00 C ATOM 0 H VAL A 13 -5.871 -2.052 -16.979 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.720 0.572 -17.474 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.972 1.221 -15.448 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.248 0.801 -16.285 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.133 1.247 -17.598 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.611 -0.453 -17.376 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.414 -0.407 -14.296 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.743 -1.710 -15.305 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.693 -0.839 -14.163 1.00 0.00 H new ATOM 167 N PRO A 14 -3.045 0.771 -15.558 1.00 0.00 N ATOM 168 CA PRO A 14 -1.883 0.789 -14.664 1.00 0.00 C ATOM 169 C PRO A 14 -2.277 0.657 -13.197 1.00 0.00 C ATOM 170 O PRO A 14 -1.760 -0.200 -12.479 1.00 0.00 O ATOM 171 CB PRO A 14 -1.254 2.160 -14.928 1.00 0.00 C ATOM 172 CG PRO A 14 -2.380 3.005 -15.415 1.00 0.00 C ATOM 173 CD PRO A 14 -3.290 2.083 -16.179 1.00 0.00 C ATOM 0 HA PRO A 14 -1.210 -0.048 -14.853 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.811 2.574 -14.022 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.458 2.094 -15.670 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.907 3.471 -14.582 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.016 3.811 -16.053 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.334 2.382 -16.088 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.053 2.075 -17.243 1.00 0.00 H new ATOM 181 N LEU A 15 -3.196 1.510 -12.758 1.00 0.00 N ATOM 182 CA LEU A 15 -3.661 1.488 -11.375 1.00 0.00 C ATOM 183 C LEU A 15 -5.177 1.336 -11.313 1.00 0.00 C ATOM 184 O LEU A 15 -5.929 2.303 -11.443 1.00 0.00 O ATOM 185 CB LEU A 15 -3.235 2.768 -10.653 1.00 0.00 C ATOM 186 CG LEU A 15 -1.908 2.701 -9.896 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.969 1.645 -8.803 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.761 2.413 -10.855 1.00 0.00 C ATOM 0 H LEU A 15 -3.634 2.225 -13.339 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.208 0.630 -10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.172 3.571 -11.387 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.019 3.042 -9.948 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.730 3.669 -9.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.016 1.612 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.764 1.894 -8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.171 0.671 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.176 2.369 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.933 1.458 -11.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.703 3.205 -11.601 1.00 0.00 H new ATOM 200 N PRO A 16 -5.640 0.094 -11.107 1.00 0.00 N ATOM 201 CA PRO A 16 -7.071 -0.213 -11.019 1.00 0.00 C ATOM 202 C PRO A 16 -7.706 0.340 -9.748 1.00 0.00 C ATOM 203 O PRO A 16 -7.018 0.599 -8.762 1.00 0.00 O ATOM 204 CB PRO A 16 -7.105 -1.743 -11.012 1.00 0.00 C ATOM 205 CG PRO A 16 -5.777 -2.149 -10.472 1.00 0.00 C ATOM 206 CD PRO A 16 -4.802 -1.105 -10.942 1.00 0.00 C ATOM 0 HA PRO A 16 -7.635 0.236 -11.836 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.917 -2.118 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.263 -2.140 -12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.798 -2.202 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.494 -3.138 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.006 -0.942 -10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.324 -1.394 -11.878 1.00 0.00 H new ATOM 214 N ASN A 17 -9.023 0.518 -9.779 1.00 0.00 N ATOM 215 CA ASN A 17 -9.751 1.040 -8.629 1.00 0.00 C ATOM 216 C ASN A 17 -10.082 -0.075 -7.642 1.00 0.00 C ATOM 217 O ASN A 17 -11.118 -0.043 -6.977 1.00 0.00 O ATOM 218 CB ASN A 17 -11.038 1.732 -9.084 1.00 0.00 C ATOM 219 CG ASN A 17 -10.788 2.759 -10.171 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.302 2.429 -11.253 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.121 4.013 -9.887 1.00 0.00 N ATOM 0 H ASN A 17 -9.607 0.308 -10.588 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.113 1.768 -8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.740 0.983 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.508 2.219 -8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.977 4.748 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.521 4.241 -8.977 1.00 0.00 H new ATOM 228 N SER A 18 -9.194 -1.060 -7.551 1.00 0.00 N ATOM 229 CA SER A 18 -9.393 -2.188 -6.648 1.00 0.00 C ATOM 230 C SER A 18 -8.317 -2.214 -5.566 1.00 0.00 C ATOM 231 O SER A 18 -8.599 -2.489 -4.400 1.00 0.00 O ATOM 232 CB SER A 18 -9.378 -3.503 -7.429 1.00 0.00 C ATOM 233 OG SER A 18 -10.551 -3.645 -8.212 1.00 0.00 O ATOM 0 H SER A 18 -8.330 -1.100 -8.091 1.00 0.00 H new ATOM 0 HA SER A 18 -10.364 -2.070 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.500 -3.536 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.296 -4.340 -6.736 1.00 0.00 H new ATOM 0 HG SER A 18 -10.516 -4.493 -8.703 1.00 0.00 H new ATOM 239 N VAL A 19 -7.081 -1.924 -5.963 1.00 0.00 N ATOM 240 CA VAL A 19 -5.962 -1.913 -5.028 1.00 0.00 C ATOM 241 C VAL A 19 -6.141 -0.830 -3.970 1.00 0.00 C ATOM 242 O VAL A 19 -5.711 -0.987 -2.827 1.00 0.00 O ATOM 243 CB VAL A 19 -4.624 -1.686 -5.758 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.343 -2.827 -6.724 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.634 -0.350 -6.485 1.00 0.00 C ATOM 0 H VAL A 19 -6.830 -1.694 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.943 -2.890 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.825 -1.664 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.394 -2.650 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.290 -3.766 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.143 -2.884 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.681 -0.206 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.442 -0.340 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.785 0.455 -5.765 1.00 0.00 H new ATOM 255 N PHE A 20 -6.779 0.269 -4.358 1.00 0.00 N ATOM 256 CA PHE A 20 -7.015 1.379 -3.442 1.00 0.00 C ATOM 257 C PHE A 20 -8.082 1.018 -2.413 1.00 0.00 C ATOM 258 O PHE A 20 -9.279 1.096 -2.691 1.00 0.00 O ATOM 259 CB PHE A 20 -7.440 2.627 -4.219 1.00 0.00 C ATOM 260 CG PHE A 20 -6.457 3.038 -5.277 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.432 2.398 -6.505 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.556 4.065 -5.043 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.529 2.774 -7.482 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.651 4.446 -6.015 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.636 3.799 -7.236 1.00 0.00 C ATOM 0 H PHE A 20 -7.142 0.415 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.084 1.587 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.408 2.443 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.575 3.452 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.127 1.595 -6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.561 4.573 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.522 2.267 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.956 5.249 -5.821 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.928 4.094 -7.996 1.00 0.00 H new ATOM 275 N VAL A 21 -7.640 0.622 -1.224 1.00 0.00 N ATOM 276 CA VAL A 21 -8.556 0.250 -0.153 1.00 0.00 C ATOM 277 C VAL A 21 -8.874 1.445 0.739 1.00 0.00 C ATOM 278 O VAL A 21 -7.996 2.245 1.058 1.00 0.00 O ATOM 279 CB VAL A 21 -7.975 -0.883 0.714 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.634 -0.472 1.302 1.00 0.00 C ATOM 281 CG2 VAL A 21 -8.953 -1.267 1.814 1.00 0.00 C ATOM 0 H VAL A 21 -6.653 0.551 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.473 -0.099 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.815 -1.755 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.239 -1.285 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.935 -0.251 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.765 0.415 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.526 -2.069 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.147 -0.401 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.888 -1.607 1.368 1.00 0.00 H new ATOM 291 N ASN A 22 -10.137 1.558 1.139 1.00 0.00 N ATOM 292 CA ASN A 22 -10.572 2.656 1.994 1.00 0.00 C ATOM 293 C ASN A 22 -10.296 2.344 3.462 1.00 0.00 C ATOM 294 O ASN A 22 -10.967 2.862 4.356 1.00 0.00 O ATOM 295 CB ASN A 22 -12.063 2.929 1.791 1.00 0.00 C ATOM 296 CG ASN A 22 -12.553 4.107 2.611 1.00 0.00 C ATOM 297 OD1 ASN A 22 -13.221 3.932 3.631 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.223 5.314 2.168 1.00 0.00 N ATOM 0 H ASN A 22 -10.876 0.903 0.885 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.006 3.545 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.254 3.121 0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.632 2.040 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.524 6.144 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.668 5.411 1.318 1.00 0.00 H new ATOM 305 N THR A 23 -9.303 1.494 3.705 1.00 0.00 N ATOM 306 CA THR A 23 -8.938 1.112 5.063 1.00 0.00 C ATOM 307 C THR A 23 -7.696 1.863 5.530 1.00 0.00 C ATOM 308 O THR A 23 -6.774 2.105 4.751 1.00 0.00 O ATOM 309 CB THR A 23 -8.680 -0.402 5.170 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.941 -0.850 6.505 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.245 -0.735 4.790 1.00 0.00 C ATOM 0 H THR A 23 -8.737 1.057 2.978 1.00 0.00 H new ATOM 0 HA THR A 23 -9.780 1.375 5.703 1.00 0.00 H new ATOM 0 HB THR A 23 -9.350 -0.912 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.126 -1.241 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.087 -1.810 4.873 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.058 -0.419 3.764 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.561 -0.215 5.460 1.00 0.00 H new ATOM 319 N THR A 24 -7.678 2.229 6.808 1.00 0.00 N ATOM 320 CA THR A 24 -6.549 2.952 7.380 1.00 0.00 C ATOM 321 C THR A 24 -5.836 2.114 8.435 1.00 0.00 C ATOM 322 O THR A 24 -5.323 2.645 9.419 1.00 0.00 O ATOM 323 CB THR A 24 -6.997 4.282 8.014 1.00 0.00 C ATOM 324 OG1 THR A 24 -8.077 4.051 8.926 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.433 5.272 6.944 1.00 0.00 C ATOM 0 H THR A 24 -8.433 2.036 7.467 1.00 0.00 H new ATOM 0 HA THR A 24 -5.861 3.162 6.561 1.00 0.00 H new ATOM 0 HB THR A 24 -6.150 4.705 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.355 4.901 9.326 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.745 6.204 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.600 5.468 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.267 4.854 6.380 1.00 0.00 H new ATOM 333 N GLU A 25 -5.807 0.802 8.221 1.00 0.00 N ATOM 334 CA GLU A 25 -5.156 -0.109 9.155 1.00 0.00 C ATOM 335 C GLU A 25 -4.544 -1.297 8.419 1.00 0.00 C ATOM 336 O GLU A 25 -5.176 -1.893 7.547 1.00 0.00 O ATOM 337 CB GLU A 25 -6.157 -0.603 10.202 1.00 0.00 C ATOM 338 CG GLU A 25 -6.832 0.517 10.976 1.00 0.00 C ATOM 339 CD GLU A 25 -7.348 0.063 12.327 1.00 0.00 C ATOM 340 OE1 GLU A 25 -6.673 -0.767 12.972 1.00 0.00 O ATOM 341 OE2 GLU A 25 -8.428 0.536 12.740 1.00 0.00 O ATOM 0 H GLU A 25 -6.226 0.347 7.410 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.356 0.436 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.921 -1.203 9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.642 -1.259 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.124 1.334 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.661 0.911 10.388 1.00 0.00 H new ATOM 348 N SER A 26 -3.309 -1.635 8.777 1.00 0.00 N ATOM 349 CA SER A 26 -2.609 -2.749 8.148 1.00 0.00 C ATOM 350 C SER A 26 -3.273 -4.077 8.501 1.00 0.00 C ATOM 351 O SER A 26 -3.662 -4.842 7.619 1.00 0.00 O ATOM 352 CB SER A 26 -1.142 -2.768 8.583 1.00 0.00 C ATOM 353 OG SER A 26 -1.029 -2.819 9.995 1.00 0.00 O ATOM 0 H SER A 26 -2.773 -1.154 9.499 1.00 0.00 H new ATOM 0 HA SER A 26 -2.659 -2.614 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.640 -3.630 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.636 -1.879 8.206 1.00 0.00 H new ATOM 0 HG SER A 26 -0.082 -2.832 10.247 1.00 0.00 H new ATOM 359 N CYS A 27 -3.397 -4.342 9.797 1.00 0.00 N ATOM 360 CA CYS A 27 -4.013 -5.578 10.268 1.00 0.00 C ATOM 361 C CYS A 27 -5.197 -5.966 9.388 1.00 0.00 C ATOM 362 O CYS A 27 -5.412 -7.144 9.106 1.00 0.00 O ATOM 363 CB CYS A 27 -4.470 -5.422 11.719 1.00 0.00 C ATOM 364 SG CYS A 27 -5.604 -4.041 11.992 1.00 0.00 S ATOM 0 H CYS A 27 -3.080 -3.719 10.539 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.268 -6.371 10.212 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.955 -6.345 12.037 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.593 -5.289 12.352 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.935 -3.993 13.248 1.00 0.00 H new ATOM 370 N GLU A 28 -5.961 -4.966 8.959 1.00 0.00 N ATOM 371 CA GLU A 28 -7.125 -5.204 8.113 1.00 0.00 C ATOM 372 C GLU A 28 -6.704 -5.743 6.748 1.00 0.00 C ATOM 373 O GLU A 28 -7.113 -6.831 6.345 1.00 0.00 O ATOM 374 CB GLU A 28 -7.929 -3.914 7.938 1.00 0.00 C ATOM 375 CG GLU A 28 -9.064 -4.035 6.936 1.00 0.00 C ATOM 376 CD GLU A 28 -10.202 -4.898 7.444 1.00 0.00 C ATOM 377 OE1 GLU A 28 -9.923 -5.945 8.064 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.373 -4.525 7.222 1.00 0.00 O ATOM 0 H GLU A 28 -5.795 -3.985 9.183 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.751 -5.950 8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.338 -3.617 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.257 -3.118 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.444 -3.041 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.680 -4.457 6.007 1.00 0.00 H new ATOM 385 N VAL A 29 -5.884 -4.971 6.042 1.00 0.00 N ATOM 386 CA VAL A 29 -5.407 -5.370 4.723 1.00 0.00 C ATOM 387 C VAL A 29 -5.019 -6.844 4.701 1.00 0.00 C ATOM 388 O VAL A 29 -5.452 -7.596 3.829 1.00 0.00 O ATOM 389 CB VAL A 29 -4.195 -4.525 4.285 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.645 -5.027 2.959 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.577 -3.056 4.192 1.00 0.00 C ATOM 0 H VAL A 29 -5.536 -4.067 6.361 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.228 -5.203 4.026 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.412 -4.626 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.790 -4.418 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.332 -6.066 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.419 -4.958 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.710 -2.473 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.377 -2.934 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.919 -2.707 5.166 1.00 0.00 H new ATOM 401 N GLU A 30 -4.201 -7.250 5.667 1.00 0.00 N ATOM 402 CA GLU A 30 -3.755 -8.635 5.758 1.00 0.00 C ATOM 403 C GLU A 30 -4.944 -9.590 5.763 1.00 0.00 C ATOM 404 O GLU A 30 -4.939 -10.609 5.072 1.00 0.00 O ATOM 405 CB GLU A 30 -2.914 -8.842 7.020 1.00 0.00 C ATOM 406 CG GLU A 30 -2.361 -10.250 7.158 1.00 0.00 C ATOM 407 CD GLU A 30 -1.829 -10.533 8.550 1.00 0.00 C ATOM 408 OE1 GLU A 30 -2.623 -10.961 9.413 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.618 -10.327 8.774 1.00 0.00 O ATOM 0 H GLU A 30 -3.834 -6.640 6.397 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.142 -8.851 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.085 -8.134 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.523 -8.613 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.144 -10.969 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.562 -10.396 6.431 1.00 0.00 H new ATOM 416 N ARG A 31 -5.962 -9.254 6.549 1.00 0.00 N ATOM 417 CA ARG A 31 -7.158 -10.082 6.647 1.00 0.00 C ATOM 418 C ARG A 31 -7.850 -10.200 5.292 1.00 0.00 C ATOM 419 O ARG A 31 -8.187 -11.299 4.849 1.00 0.00 O ATOM 420 CB ARG A 31 -8.126 -9.497 7.677 1.00 0.00 C ATOM 421 CG ARG A 31 -8.972 -10.546 8.381 1.00 0.00 C ATOM 422 CD ARG A 31 -8.124 -11.440 9.272 1.00 0.00 C ATOM 423 NE ARG A 31 -7.639 -12.619 8.560 1.00 0.00 N ATOM 424 CZ ARG A 31 -8.336 -13.743 8.439 1.00 0.00 C ATOM 425 NH1 ARG A 31 -9.543 -13.839 8.979 1.00 0.00 N ATOM 426 NH2 ARG A 31 -7.826 -14.773 7.776 1.00 0.00 N ATOM 0 H ARG A 31 -5.982 -8.414 7.127 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.855 -11.078 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.558 -8.940 8.422 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.785 -8.784 7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.738 -10.054 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.489 -11.155 7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.275 -10.872 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.711 -11.754 10.135 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.714 -12.577 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.938 -13.049 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.077 -14.703 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.898 -14.702 7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.362 -15.636 7.684 1.00 0.00 H new ATOM 440 N LEU A 32 -8.059 -9.062 4.639 1.00 0.00 N ATOM 441 CA LEU A 32 -8.711 -9.037 3.335 1.00 0.00 C ATOM 442 C LEU A 32 -7.940 -9.880 2.324 1.00 0.00 C ATOM 443 O LEU A 32 -8.494 -10.791 1.709 1.00 0.00 O ATOM 444 CB LEU A 32 -8.831 -7.598 2.830 1.00 0.00 C ATOM 445 CG LEU A 32 -9.359 -6.575 3.837 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.380 -5.184 3.224 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.749 -6.969 4.317 1.00 0.00 C ATOM 0 H LEU A 32 -7.786 -8.145 4.992 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.709 -9.461 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.848 -7.270 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.487 -7.593 1.960 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.689 -6.560 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.759 -4.470 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.369 -4.901 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.027 -5.183 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.110 -6.230 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.429 -7.012 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.705 -7.947 4.796 1.00 0.00 H new ATOM 459 N PHE A 33 -6.658 -9.571 2.159 1.00 0.00 N ATOM 460 CA PHE A 33 -5.810 -10.301 1.224 1.00 0.00 C ATOM 461 C PHE A 33 -6.200 -11.775 1.173 1.00 0.00 C ATOM 462 O PHE A 33 -6.505 -12.312 0.108 1.00 0.00 O ATOM 463 CB PHE A 33 -4.339 -10.164 1.623 1.00 0.00 C ATOM 464 CG PHE A 33 -3.664 -8.964 1.024 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.359 -7.778 0.847 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.335 -9.020 0.637 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.741 -6.672 0.296 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.711 -7.918 0.085 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.415 -6.741 -0.085 1.00 0.00 C ATOM 0 H PHE A 33 -6.184 -8.820 2.661 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.952 -9.872 0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.270 -10.105 2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.803 -11.063 1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.396 -7.718 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.780 -9.937 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.294 -5.754 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.675 -7.976 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.930 -5.877 -0.515 1.00 0.00 H new ATOM 479 N LYS A 34 -6.187 -12.425 2.332 1.00 0.00 N ATOM 480 CA LYS A 34 -6.540 -13.837 2.422 1.00 0.00 C ATOM 481 C LYS A 34 -8.014 -14.051 2.095 1.00 0.00 C ATOM 482 O LYS A 34 -8.378 -15.021 1.430 1.00 0.00 O ATOM 483 CB LYS A 34 -6.234 -14.372 3.822 1.00 0.00 C ATOM 484 CG LYS A 34 -4.800 -14.133 4.265 1.00 0.00 C ATOM 485 CD LYS A 34 -4.696 -14.015 5.776 1.00 0.00 C ATOM 486 CE LYS A 34 -3.252 -13.840 6.223 1.00 0.00 C ATOM 487 NZ LYS A 34 -3.126 -13.845 7.706 1.00 0.00 N ATOM 0 H LYS A 34 -5.936 -11.996 3.223 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.941 -14.383 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.909 -13.902 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.439 -15.442 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.170 -14.952 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.422 -13.222 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.289 -13.167 6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.117 -14.906 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.643 -14.641 5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.861 -12.902 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.127 -13.723 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.687 -13.065 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.475 -14.750 8.081 1.00 0.00 H new ATOM 501 N ALA A 35 -8.859 -13.139 2.566 1.00 0.00 N ATOM 502 CA ALA A 35 -10.293 -13.227 2.321 1.00 0.00 C ATOM 503 C ALA A 35 -10.594 -13.250 0.826 1.00 0.00 C ATOM 504 O ALA A 35 -11.081 -14.249 0.295 1.00 0.00 O ATOM 505 CB ALA A 35 -11.015 -12.067 2.989 1.00 0.00 C ATOM 0 H ALA A 35 -8.575 -12.331 3.119 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.653 -14.161 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.085 -12.146 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.835 -12.097 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.643 -11.126 2.585 1.00 0.00 H new ATOM 511 N THR A 36 -10.301 -12.143 0.151 1.00 0.00 N ATOM 512 CA THR A 36 -10.542 -12.035 -1.282 1.00 0.00 C ATOM 513 C THR A 36 -10.208 -13.340 -1.996 1.00 0.00 C ATOM 514 O THR A 36 -10.797 -13.663 -3.028 1.00 0.00 O ATOM 515 CB THR A 36 -9.715 -10.896 -1.907 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.105 -10.698 -3.271 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.227 -11.208 -1.841 1.00 0.00 C ATOM 0 H THR A 36 -9.896 -11.308 0.574 1.00 0.00 H new ATOM 0 HA THR A 36 -11.602 -11.816 -1.408 1.00 0.00 H new ATOM 0 HB THR A 36 -9.905 -9.985 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.575 -9.971 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.663 -10.389 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.926 -11.329 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.024 -12.129 -2.387 1.00 0.00 H new ATOM 525 N SER A 37 -9.262 -14.089 -1.439 1.00 0.00 N ATOM 526 CA SER A 37 -8.847 -15.358 -2.024 1.00 0.00 C ATOM 527 C SER A 37 -9.780 -16.486 -1.591 1.00 0.00 C ATOM 528 O SER A 37 -10.230 -16.549 -0.446 1.00 0.00 O ATOM 529 CB SER A 37 -7.409 -15.686 -1.618 1.00 0.00 C ATOM 530 OG SER A 37 -6.485 -15.187 -2.568 1.00 0.00 O ATOM 0 H SER A 37 -8.768 -13.838 -0.582 1.00 0.00 H new ATOM 0 HA SER A 37 -8.897 -15.264 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.197 -15.256 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.292 -16.766 -1.524 1.00 0.00 H new ATOM 0 HG SER A 37 -5.593 -15.545 -2.376 1.00 0.00 H new ATOM 536 N PRO A 38 -10.077 -17.399 -2.527 1.00 0.00 N ATOM 537 CA PRO A 38 -10.958 -18.541 -2.267 1.00 0.00 C ATOM 538 C PRO A 38 -10.320 -19.564 -1.333 1.00 0.00 C ATOM 539 O PRO A 38 -11.010 -20.398 -0.747 1.00 0.00 O ATOM 540 CB PRO A 38 -11.173 -19.147 -3.656 1.00 0.00 C ATOM 541 CG PRO A 38 -9.972 -18.739 -4.438 1.00 0.00 C ATOM 542 CD PRO A 38 -9.577 -17.386 -3.912 1.00 0.00 C ATOM 0 HA PRO A 38 -11.881 -18.239 -1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.262 -20.232 -3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.089 -18.773 -4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.162 -19.458 -4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.197 -18.693 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.497 -17.240 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.027 -16.582 -4.494 1.00 0.00 H new ATOM 550 N ARG A 39 -9.000 -19.494 -1.199 1.00 0.00 N ATOM 551 CA ARG A 39 -8.270 -20.414 -0.336 1.00 0.00 C ATOM 552 C ARG A 39 -7.784 -19.707 0.926 1.00 0.00 C ATOM 553 O ARG A 39 -6.786 -20.103 1.527 1.00 0.00 O ATOM 554 CB ARG A 39 -7.080 -21.015 -1.087 1.00 0.00 C ATOM 555 CG ARG A 39 -7.481 -21.964 -2.204 1.00 0.00 C ATOM 556 CD ARG A 39 -6.282 -22.728 -2.744 1.00 0.00 C ATOM 557 NE ARG A 39 -6.672 -23.992 -3.362 1.00 0.00 N ATOM 558 CZ ARG A 39 -5.948 -24.611 -4.288 1.00 0.00 C ATOM 559 NH1 ARG A 39 -4.802 -24.085 -4.700 1.00 0.00 N ATOM 560 NH2 ARG A 39 -6.369 -25.759 -4.804 1.00 0.00 N ATOM 0 H ARG A 39 -8.414 -18.810 -1.677 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.949 -21.215 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.480 -20.207 -1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.446 -21.548 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.226 -22.668 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.948 -21.400 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.760 -22.112 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.581 -22.922 -1.933 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.548 -24.423 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.475 -23.203 -4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.248 -24.562 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.249 -26.167 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.812 -26.233 -5.515 1.00 0.00 H new ATOM 574 N GLY A 40 -8.497 -18.657 1.322 1.00 0.00 N ATOM 575 CA GLY A 40 -8.123 -17.911 2.509 1.00 0.00 C ATOM 576 C GLY A 40 -6.640 -17.605 2.558 1.00 0.00 C ATOM 577 O GLY A 40 -6.034 -17.607 3.630 1.00 0.00 O ATOM 0 H GLY A 40 -9.327 -18.310 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.685 -16.977 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.403 -18.480 3.395 1.00 0.00 H new ATOM 581 N GLU A 41 -6.052 -17.343 1.395 1.00 0.00 N ATOM 582 CA GLU A 41 -4.629 -17.036 1.310 1.00 0.00 C ATOM 583 C GLU A 41 -4.312 -16.276 0.026 1.00 0.00 C ATOM 584 O GLU A 41 -4.671 -16.692 -1.076 1.00 0.00 O ATOM 585 CB GLU A 41 -3.803 -18.323 1.372 1.00 0.00 C ATOM 586 CG GLU A 41 -4.036 -19.252 0.193 1.00 0.00 C ATOM 587 CD GLU A 41 -3.294 -20.567 0.332 1.00 0.00 C ATOM 588 OE1 GLU A 41 -3.515 -21.271 1.339 1.00 0.00 O ATOM 589 OE2 GLU A 41 -2.492 -20.893 -0.569 1.00 0.00 O ATOM 0 H GLU A 41 -6.539 -17.337 0.499 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.368 -16.404 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.745 -18.064 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.040 -18.853 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.104 -19.450 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.719 -18.756 -0.724 1.00 0.00 H new ATOM 596 N PRO A 42 -3.624 -15.134 0.169 1.00 0.00 N ATOM 597 CA PRO A 42 -3.242 -14.291 -0.968 1.00 0.00 C ATOM 598 C PRO A 42 -2.173 -14.941 -1.839 1.00 0.00 C ATOM 599 O PRO A 42 -1.560 -15.933 -1.446 1.00 0.00 O ATOM 600 CB PRO A 42 -2.695 -13.025 -0.304 1.00 0.00 C ATOM 601 CG PRO A 42 -2.231 -13.473 1.039 1.00 0.00 C ATOM 602 CD PRO A 42 -3.163 -14.578 1.453 1.00 0.00 C ATOM 0 HA PRO A 42 -4.081 -14.108 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.877 -12.596 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.464 -12.257 -0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.201 -13.827 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.258 -12.652 1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.653 -15.329 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.994 -14.201 2.049 1.00 0.00 H new ATOM 610 N GLN A 43 -1.954 -14.375 -3.021 1.00 0.00 N ATOM 611 CA GLN A 43 -0.958 -14.901 -3.947 1.00 0.00 C ATOM 612 C GLN A 43 0.358 -14.140 -3.821 1.00 0.00 C ATOM 613 O GLN A 43 0.371 -12.956 -3.481 1.00 0.00 O ATOM 614 CB GLN A 43 -1.473 -14.818 -5.385 1.00 0.00 C ATOM 615 CG GLN A 43 -2.254 -16.047 -5.823 1.00 0.00 C ATOM 616 CD GLN A 43 -2.949 -15.852 -7.156 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.477 -16.325 -8.190 1.00 0.00 O ATOM 618 NE2 GLN A 43 -4.078 -15.152 -7.139 1.00 0.00 N ATOM 0 H GLN A 43 -2.453 -13.552 -3.360 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.779 -15.946 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.110 -13.939 -5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.627 -14.676 -6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.576 -16.898 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.996 -16.291 -5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.433 -14.778 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.590 -14.988 -8.006 1.00 0.00 H new ATOM 627 N ASP A 44 1.461 -14.826 -4.097 1.00 0.00 N ATOM 628 CA ASP A 44 2.782 -14.214 -4.015 1.00 0.00 C ATOM 629 C ASP A 44 2.879 -13.004 -4.940 1.00 0.00 C ATOM 630 O ASP A 44 2.842 -13.140 -6.162 1.00 0.00 O ATOM 631 CB ASP A 44 3.863 -15.234 -4.375 1.00 0.00 C ATOM 632 CG ASP A 44 5.196 -14.581 -4.686 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.296 -13.907 -5.732 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.139 -14.745 -3.884 1.00 0.00 O ATOM 0 H ASP A 44 1.467 -15.806 -4.379 1.00 0.00 H new ATOM 0 HA ASP A 44 2.937 -13.878 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.988 -15.933 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.537 -15.816 -5.237 1.00 0.00 H new ATOM 639 N GLY A 45 3.002 -11.821 -4.347 1.00 0.00 N ATOM 640 CA GLY A 45 3.101 -10.604 -5.132 1.00 0.00 C ATOM 641 C GLY A 45 1.875 -9.725 -4.995 1.00 0.00 C ATOM 642 O GLY A 45 1.709 -8.757 -5.740 1.00 0.00 O ATOM 0 H GLY A 45 3.035 -11.683 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.982 -10.044 -4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.243 -10.863 -6.181 1.00 0.00 H new ATOM 646 N LEU A 46 1.011 -10.060 -4.043 1.00 0.00 N ATOM 647 CA LEU A 46 -0.209 -9.294 -3.812 1.00 0.00 C ATOM 648 C LEU A 46 0.112 -7.921 -3.231 1.00 0.00 C ATOM 649 O LEU A 46 0.495 -7.803 -2.066 1.00 0.00 O ATOM 650 CB LEU A 46 -1.141 -10.056 -2.868 1.00 0.00 C ATOM 651 CG LEU A 46 -2.629 -9.725 -2.983 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.154 -10.099 -4.361 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.420 -10.440 -1.897 1.00 0.00 C ATOM 0 H LEU A 46 1.133 -10.857 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.708 -9.154 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.012 -11.124 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.824 -9.863 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.754 -8.651 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.215 -9.856 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.608 -9.541 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.016 -11.168 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.477 -10.193 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.288 -11.517 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.062 -10.123 -0.918 1.00 0.00 H new ATOM 665 N TYR A 47 -0.048 -6.887 -4.048 1.00 0.00 N ATOM 666 CA TYR A 47 0.225 -5.521 -3.615 1.00 0.00 C ATOM 667 C TYR A 47 -1.046 -4.677 -3.642 1.00 0.00 C ATOM 668 O TYR A 47 -1.985 -4.973 -4.381 1.00 0.00 O ATOM 669 CB TYR A 47 1.293 -4.885 -4.506 1.00 0.00 C ATOM 670 CG TYR A 47 0.861 -4.721 -5.946 1.00 0.00 C ATOM 671 CD1 TYR A 47 0.938 -5.781 -6.840 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.374 -3.505 -6.411 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.545 -5.635 -8.157 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.023 -3.350 -7.725 1.00 0.00 C ATOM 675 CZ TYR A 47 0.065 -4.418 -8.594 1.00 0.00 C ATOM 676 OH TYR A 47 -0.329 -4.268 -9.904 1.00 0.00 O ATOM 0 H TYR A 47 -0.365 -6.968 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 47 0.593 -5.558 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.557 -3.908 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.194 -5.498 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.311 -6.736 -6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.305 -2.667 -5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.613 -6.469 -8.840 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.400 -2.399 -8.070 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.643 -3.351 -10.048 1.00 0.00 H new ATOM 686 N CYS A 48 -1.066 -3.624 -2.832 1.00 0.00 N ATOM 687 CA CYS A 48 -2.220 -2.735 -2.763 1.00 0.00 C ATOM 688 C CYS A 48 -1.812 -1.353 -2.264 1.00 0.00 C ATOM 689 O CYS A 48 -0.632 -1.089 -2.032 1.00 0.00 O ATOM 690 CB CYS A 48 -3.290 -3.326 -1.844 1.00 0.00 C ATOM 691 SG CYS A 48 -2.976 -3.068 -0.082 1.00 0.00 S ATOM 0 H CYS A 48 -0.297 -3.365 -2.214 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.630 -2.633 -3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.255 -2.887 -2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.367 -4.396 -2.035 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.880 -4.219 0.515 1.00 0.00 H new ATOM 697 N ILE A 49 -2.796 -0.473 -2.105 1.00 0.00 N ATOM 698 CA ILE A 49 -2.538 0.883 -1.635 1.00 0.00 C ATOM 699 C ILE A 49 -3.591 1.323 -0.623 1.00 0.00 C ATOM 700 O ILE A 49 -4.728 1.625 -0.987 1.00 0.00 O ATOM 701 CB ILE A 49 -2.513 1.887 -2.802 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.401 1.526 -3.790 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.324 3.303 -2.278 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.478 2.293 -5.092 1.00 0.00 C ATOM 0 H ILE A 49 -3.778 -0.675 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.559 0.871 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.468 1.838 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.435 1.716 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.448 0.458 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.308 4.001 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.147 3.556 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.381 3.367 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.660 1.987 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.429 2.084 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.400 3.361 -4.890 1.00 0.00 H new ATOM 716 N ARG A 50 -3.204 1.358 0.647 1.00 0.00 N ATOM 717 CA ARG A 50 -4.114 1.762 1.712 1.00 0.00 C ATOM 718 C ARG A 50 -3.750 3.146 2.243 1.00 0.00 C ATOM 719 O ARG A 50 -2.683 3.678 1.937 1.00 0.00 O ATOM 720 CB ARG A 50 -4.083 0.743 2.853 1.00 0.00 C ATOM 721 CG ARG A 50 -2.744 0.671 3.569 1.00 0.00 C ATOM 722 CD ARG A 50 -2.913 0.277 5.028 1.00 0.00 C ATOM 723 NE ARG A 50 -1.650 0.328 5.759 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.567 0.512 7.072 1.00 0.00 C ATOM 725 NH1 ARG A 50 -2.669 0.661 7.794 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.381 0.547 7.665 1.00 0.00 N ATOM 0 H ARG A 50 -2.266 1.112 0.964 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.121 1.803 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.859 0.996 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.326 -0.242 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.101 -0.052 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.245 1.638 3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.633 0.944 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.325 -0.731 5.086 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.784 0.216 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.583 0.634 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.603 0.802 8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.469 0.433 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.319 0.688 8.673 1.00 0.00 H new ATOM 740 N ASN A 51 -4.645 3.724 3.038 1.00 0.00 N ATOM 741 CA ASN A 51 -4.418 5.046 3.610 1.00 0.00 C ATOM 742 C ASN A 51 -3.384 4.985 4.730 1.00 0.00 C ATOM 743 O ASN A 51 -3.071 3.910 5.241 1.00 0.00 O ATOM 744 CB ASN A 51 -5.730 5.625 4.143 1.00 0.00 C ATOM 745 CG ASN A 51 -6.591 6.214 3.042 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.684 7.433 2.897 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.227 5.349 2.261 1.00 0.00 N ATOM 0 H ASN A 51 -5.534 3.298 3.300 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.035 5.695 2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.287 4.842 4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.510 6.397 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.822 5.687 1.504 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.121 4.347 2.418 1.00 0.00 H new ATOM 754 N SER A 52 -2.857 6.146 5.106 1.00 0.00 N ATOM 755 CA SER A 52 -1.856 6.224 6.163 1.00 0.00 C ATOM 756 C SER A 52 -2.468 6.765 7.451 1.00 0.00 C ATOM 757 O SER A 52 -2.807 7.945 7.543 1.00 0.00 O ATOM 758 CB SER A 52 -0.691 7.114 5.725 1.00 0.00 C ATOM 759 OG SER A 52 0.395 7.013 6.630 1.00 0.00 O ATOM 0 H SER A 52 -3.107 7.045 4.694 1.00 0.00 H new ATOM 0 HA SER A 52 -1.484 5.217 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.364 6.825 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.023 8.150 5.665 1.00 0.00 H new ATOM 0 HG SER A 52 1.128 7.589 6.328 1.00 0.00 H new ATOM 765 N SER A 53 -2.606 5.894 8.445 1.00 0.00 N ATOM 766 CA SER A 53 -3.180 6.282 9.728 1.00 0.00 C ATOM 767 C SER A 53 -2.493 7.529 10.276 1.00 0.00 C ATOM 768 O SER A 53 -3.147 8.438 10.789 1.00 0.00 O ATOM 769 CB SER A 53 -3.058 5.135 10.733 1.00 0.00 C ATOM 770 OG SER A 53 -1.719 4.981 11.171 1.00 0.00 O ATOM 0 H SER A 53 -2.328 4.914 8.387 1.00 0.00 H new ATOM 0 HA SER A 53 -4.235 6.509 9.572 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.704 5.327 11.589 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.403 4.208 10.275 1.00 0.00 H new ATOM 0 HG SER A 53 -1.668 4.243 11.814 1.00 0.00 H new ATOM 776 N THR A 54 -1.169 7.565 10.164 1.00 0.00 N ATOM 777 CA THR A 54 -0.391 8.698 10.648 1.00 0.00 C ATOM 778 C THR A 54 -1.041 10.020 10.254 1.00 0.00 C ATOM 779 O THR A 54 -1.363 10.845 11.108 1.00 0.00 O ATOM 780 CB THR A 54 1.049 8.665 10.104 1.00 0.00 C ATOM 781 OG1 THR A 54 1.707 7.467 10.531 1.00 0.00 O ATOM 782 CG2 THR A 54 1.835 9.878 10.580 1.00 0.00 C ATOM 0 H THR A 54 -0.613 6.822 9.742 1.00 0.00 H new ATOM 0 HA THR A 54 -0.362 8.620 11.735 1.00 0.00 H new ATOM 0 HB THR A 54 1.003 8.685 9.015 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.622 7.453 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.849 9.833 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.348 10.788 10.229 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.872 9.883 11.669 1.00 0.00 H new ATOM 790 N LYS A 55 -1.233 10.214 8.953 1.00 0.00 N ATOM 791 CA LYS A 55 -1.846 11.435 8.444 1.00 0.00 C ATOM 792 C LYS A 55 -2.458 11.202 7.066 1.00 0.00 C ATOM 793 O LYS A 55 -2.209 10.178 6.431 1.00 0.00 O ATOM 794 CB LYS A 55 -0.811 12.559 8.371 1.00 0.00 C ATOM 795 CG LYS A 55 0.253 12.338 7.309 1.00 0.00 C ATOM 796 CD LYS A 55 -0.157 12.938 5.975 1.00 0.00 C ATOM 797 CE LYS A 55 0.162 14.424 5.911 1.00 0.00 C ATOM 798 NZ LYS A 55 1.621 14.671 5.739 1.00 0.00 N ATOM 0 H LYS A 55 -0.973 9.541 8.232 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.640 11.727 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.323 13.500 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.327 12.660 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.193 12.784 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.432 11.270 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.359 12.419 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.225 12.787 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.383 14.877 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.183 14.909 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.775 15.662 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.114 14.479 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.994 14.044 4.998 1.00 0.00 H new ATOM 812 N SER A 56 -3.258 12.160 6.609 1.00 0.00 N ATOM 813 CA SER A 56 -3.907 12.058 5.307 1.00 0.00 C ATOM 814 C SER A 56 -2.893 11.711 4.221 1.00 0.00 C ATOM 815 O SER A 56 -2.266 12.594 3.636 1.00 0.00 O ATOM 816 CB SER A 56 -4.613 13.371 4.961 1.00 0.00 C ATOM 817 OG SER A 56 -5.479 13.207 3.852 1.00 0.00 O ATOM 0 H SER A 56 -3.472 13.016 7.121 1.00 0.00 H new ATOM 0 HA SER A 56 -4.647 11.259 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.182 13.719 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.872 14.138 4.737 1.00 0.00 H new ATOM 0 HG SER A 56 -5.919 14.059 3.652 1.00 0.00 H new ATOM 823 N GLY A 57 -2.738 10.417 3.956 1.00 0.00 N ATOM 824 CA GLY A 57 -1.800 9.975 2.941 1.00 0.00 C ATOM 825 C GLY A 57 -2.065 8.553 2.487 1.00 0.00 C ATOM 826 O GLY A 57 -3.142 8.008 2.726 1.00 0.00 O ATOM 0 H GLY A 57 -3.245 9.667 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.857 10.644 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.785 10.045 3.333 1.00 0.00 H new ATOM 830 N LYS A 58 -1.080 7.951 1.829 1.00 0.00 N ATOM 831 CA LYS A 58 -1.210 6.584 1.339 1.00 0.00 C ATOM 832 C LYS A 58 0.045 5.774 1.646 1.00 0.00 C ATOM 833 O LYS A 58 1.105 6.335 1.925 1.00 0.00 O ATOM 834 CB LYS A 58 -1.474 6.584 -0.169 1.00 0.00 C ATOM 835 CG LYS A 58 -2.803 7.211 -0.554 1.00 0.00 C ATOM 836 CD LYS A 58 -3.953 6.234 -0.376 1.00 0.00 C ATOM 837 CE LYS A 58 -5.110 6.560 -1.309 1.00 0.00 C ATOM 838 NZ LYS A 58 -6.381 5.932 -0.855 1.00 0.00 N ATOM 0 H LYS A 58 -0.182 8.389 1.623 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.054 6.120 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.669 7.122 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.447 5.557 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.979 8.097 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.763 7.542 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.603 5.220 -0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.299 6.261 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.238 7.641 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.873 6.215 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.098 6.018 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.216 4.926 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.718 6.412 0.004 1.00 0.00 H new ATOM 852 N VAL A 59 -0.081 4.452 1.592 1.00 0.00 N ATOM 853 CA VAL A 59 1.044 3.565 1.862 1.00 0.00 C ATOM 854 C VAL A 59 0.933 2.276 1.054 1.00 0.00 C ATOM 855 O VAL A 59 -0.057 1.551 1.153 1.00 0.00 O ATOM 856 CB VAL A 59 1.134 3.213 3.359 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.261 2.221 3.607 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.328 4.472 4.190 1.00 0.00 C ATOM 0 H VAL A 59 -0.951 3.972 1.364 1.00 0.00 H new ATOM 0 HA VAL A 59 1.947 4.099 1.567 1.00 0.00 H new ATOM 0 HB VAL A 59 0.197 2.745 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.310 1.984 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.074 1.309 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.207 2.659 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.390 4.206 5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.249 4.970 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.484 5.144 4.034 1.00 0.00 H new ATOM 868 N LEU A 60 1.957 1.996 0.255 1.00 0.00 N ATOM 869 CA LEU A 60 1.976 0.794 -0.571 1.00 0.00 C ATOM 870 C LEU A 60 2.266 -0.442 0.274 1.00 0.00 C ATOM 871 O LEU A 60 3.348 -0.576 0.847 1.00 0.00 O ATOM 872 CB LEU A 60 3.025 0.927 -1.676 1.00 0.00 C ATOM 873 CG LEU A 60 3.472 -0.376 -2.339 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.407 -0.878 -3.302 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.797 -0.181 -3.061 1.00 0.00 C ATOM 0 H LEU A 60 2.785 2.585 0.162 1.00 0.00 H new ATOM 0 HA LEU A 60 0.992 0.679 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.628 1.586 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.904 1.418 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 60 3.612 -1.127 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.743 -1.806 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.480 -1.058 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.234 -0.130 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.099 -1.119 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.684 0.585 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.558 0.131 -2.346 1.00 0.00 H new ATOM 887 N VAL A 61 1.293 -1.345 0.347 1.00 0.00 N ATOM 888 CA VAL A 61 1.445 -2.572 1.119 1.00 0.00 C ATOM 889 C VAL A 61 1.491 -3.793 0.207 1.00 0.00 C ATOM 890 O VAL A 61 0.587 -4.015 -0.598 1.00 0.00 O ATOM 891 CB VAL A 61 0.297 -2.744 2.131 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.408 -4.084 2.842 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.293 -1.599 3.132 1.00 0.00 C ATOM 0 H VAL A 61 0.391 -1.249 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 61 2.388 -2.491 1.660 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.648 -2.725 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.412 -4.188 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.357 -4.890 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.358 -4.136 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.525 -1.737 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.240 -1.584 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.161 -0.655 2.604 1.00 0.00 H new ATOM 903 N VAL A 62 2.552 -4.584 0.339 1.00 0.00 N ATOM 904 CA VAL A 62 2.716 -5.784 -0.472 1.00 0.00 C ATOM 905 C VAL A 62 2.735 -7.036 0.397 1.00 0.00 C ATOM 906 O VAL A 62 3.105 -6.984 1.570 1.00 0.00 O ATOM 907 CB VAL A 62 4.013 -5.728 -1.301 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.048 -6.862 -2.315 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.145 -4.380 -1.993 1.00 0.00 C ATOM 0 H VAL A 62 3.310 -4.415 1.000 1.00 0.00 H new ATOM 0 HA VAL A 62 1.863 -5.828 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 62 4.860 -5.849 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.971 -6.806 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.003 -7.818 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.195 -6.775 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.067 -4.358 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.294 -4.227 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.169 -3.588 -1.245 1.00 0.00 H new ATOM 919 N TRP A 63 2.335 -8.161 -0.186 1.00 0.00 N ATOM 920 CA TRP A 63 2.307 -9.428 0.536 1.00 0.00 C ATOM 921 C TRP A 63 3.521 -10.281 0.186 1.00 0.00 C ATOM 922 O TRP A 63 3.760 -10.587 -0.982 1.00 0.00 O ATOM 923 CB TRP A 63 1.022 -10.192 0.216 1.00 0.00 C ATOM 924 CG TRP A 63 1.042 -11.614 0.690 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.314 -12.723 -0.059 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.779 -12.079 2.018 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.236 -13.850 0.724 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.910 -13.481 2.002 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.448 -11.447 3.219 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.719 -14.259 3.141 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.258 -12.220 4.349 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.395 -13.614 4.303 1.00 0.00 C ATOM 0 H TRP A 63 2.026 -8.221 -1.156 1.00 0.00 H new ATOM 0 HA TRP A 63 2.336 -9.210 1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.178 -9.676 0.673 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.858 -10.178 -0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.555 -12.716 -1.112 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.395 -14.806 0.405 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.342 -10.373 3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.823 -15.333 3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.000 -11.742 5.282 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.242 -14.191 5.203 1.00 0.00 H new ATOM 943 N ASP A 64 4.284 -10.662 1.204 1.00 0.00 N ATOM 944 CA ASP A 64 5.474 -11.482 1.003 1.00 0.00 C ATOM 945 C ASP A 64 5.170 -12.954 1.263 1.00 0.00 C ATOM 946 O ASP A 64 5.489 -13.484 2.326 1.00 0.00 O ATOM 947 CB ASP A 64 6.604 -11.012 1.920 1.00 0.00 C ATOM 948 CG ASP A 64 7.964 -11.494 1.457 1.00 0.00 C ATOM 949 OD1 ASP A 64 8.126 -11.736 0.242 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.867 -11.630 2.308 1.00 0.00 O ATOM 0 H ASP A 64 4.100 -10.417 2.177 1.00 0.00 H new ATOM 0 HA ASP A 64 5.789 -11.373 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.603 -9.923 1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.420 -11.372 2.932 1.00 0.00 H new ATOM 955 N GLU A 65 4.549 -13.606 0.286 1.00 0.00 N ATOM 956 CA GLU A 65 4.200 -15.017 0.411 1.00 0.00 C ATOM 957 C GLU A 65 5.374 -15.821 0.961 1.00 0.00 C ATOM 958 O GLU A 65 5.187 -16.815 1.664 1.00 0.00 O ATOM 959 CB GLU A 65 3.771 -15.581 -0.945 1.00 0.00 C ATOM 960 CG GLU A 65 3.309 -17.027 -0.884 1.00 0.00 C ATOM 961 CD GLU A 65 1.820 -17.153 -0.625 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.069 -16.238 -1.025 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.405 -18.165 -0.022 1.00 0.00 O ATOM 0 H GLU A 65 4.277 -13.181 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 65 3.367 -15.099 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.964 -14.967 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.606 -15.504 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.554 -17.523 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.856 -17.547 -0.097 1.00 0.00 H new ATOM 970 N THR A 66 6.587 -15.385 0.635 1.00 0.00 N ATOM 971 CA THR A 66 7.792 -16.064 1.093 1.00 0.00 C ATOM 972 C THR A 66 7.937 -15.964 2.607 1.00 0.00 C ATOM 973 O THR A 66 8.407 -16.897 3.258 1.00 0.00 O ATOM 974 CB THR A 66 9.054 -15.480 0.429 1.00 0.00 C ATOM 975 OG1 THR A 66 9.133 -14.072 0.682 1.00 0.00 O ATOM 976 CG2 THR A 66 9.040 -15.731 -1.071 1.00 0.00 C ATOM 0 H THR A 66 6.760 -14.564 0.055 1.00 0.00 H new ATOM 0 HA THR A 66 7.692 -17.111 0.808 1.00 0.00 H new ATOM 0 HB THR A 66 9.926 -15.975 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.545 -13.594 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.940 -15.310 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.008 -16.804 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.161 -15.259 -1.511 1.00 0.00 H new ATOM 984 N SER A 67 7.529 -14.827 3.163 1.00 0.00 N ATOM 985 CA SER A 67 7.617 -14.605 4.601 1.00 0.00 C ATOM 986 C SER A 67 6.262 -14.822 5.268 1.00 0.00 C ATOM 987 O SER A 67 6.166 -14.910 6.491 1.00 0.00 O ATOM 988 CB SER A 67 8.119 -13.189 4.890 1.00 0.00 C ATOM 989 OG SER A 67 8.802 -13.133 6.131 1.00 0.00 O ATOM 0 H SER A 67 7.134 -14.046 2.639 1.00 0.00 H new ATOM 0 HA SER A 67 8.325 -15.325 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.785 -12.866 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.277 -12.497 4.903 1.00 0.00 H new ATOM 0 HG SER A 67 9.114 -12.218 6.292 1.00 0.00 H new ATOM 995 N ASN A 68 5.215 -14.907 4.453 1.00 0.00 N ATOM 996 CA ASN A 68 3.864 -15.113 4.962 1.00 0.00 C ATOM 997 C ASN A 68 3.405 -13.913 5.785 1.00 0.00 C ATOM 998 O ASN A 68 2.543 -14.037 6.656 1.00 0.00 O ATOM 999 CB ASN A 68 3.806 -16.382 5.814 1.00 0.00 C ATOM 1000 CG ASN A 68 2.383 -16.812 6.114 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.443 -16.406 5.432 1.00 0.00 O ATOM 1002 ND2 ASN A 68 2.219 -17.639 7.140 1.00 0.00 N ATOM 0 H ASN A 68 5.277 -14.836 3.437 1.00 0.00 H new ATOM 0 HA ASN A 68 3.194 -15.225 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.325 -17.188 5.296 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.337 -16.212 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.285 -17.963 7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.027 -17.950 7.678 1.00 0.00 H new ATOM 1009 N LYS A 69 3.985 -12.752 5.504 1.00 0.00 N ATOM 1010 CA LYS A 69 3.635 -11.528 6.215 1.00 0.00 C ATOM 1011 C LYS A 69 3.427 -10.373 5.241 1.00 0.00 C ATOM 1012 O LYS A 69 3.627 -10.521 4.036 1.00 0.00 O ATOM 1013 CB LYS A 69 4.730 -11.169 7.223 1.00 0.00 C ATOM 1014 CG LYS A 69 6.128 -11.173 6.630 1.00 0.00 C ATOM 1015 CD LYS A 69 7.029 -10.163 7.319 1.00 0.00 C ATOM 1016 CE LYS A 69 7.344 -10.580 8.748 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.675 -10.080 9.191 1.00 0.00 N ATOM 0 H LYS A 69 4.701 -12.632 4.788 1.00 0.00 H new ATOM 0 HA LYS A 69 2.701 -11.702 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.522 -10.182 7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.694 -11.875 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.560 -12.169 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.073 -10.946 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.957 -10.058 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.546 -9.186 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.572 -10.199 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.321 -11.667 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.852 -10.385 10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.415 -10.464 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.689 -9.041 9.144 1.00 0.00 H new ATOM 1031 N VAL A 70 3.026 -9.222 5.772 1.00 0.00 N ATOM 1032 CA VAL A 70 2.794 -8.041 4.950 1.00 0.00 C ATOM 1033 C VAL A 70 3.845 -6.970 5.218 1.00 0.00 C ATOM 1034 O VAL A 70 4.448 -6.931 6.291 1.00 0.00 O ATOM 1035 CB VAL A 70 1.396 -7.447 5.204 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.320 -8.501 4.991 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.311 -6.863 6.606 1.00 0.00 C ATOM 0 H VAL A 70 2.855 -9.083 6.768 1.00 0.00 H new ATOM 0 HA VAL A 70 2.862 -8.361 3.910 1.00 0.00 H new ATOM 0 HB VAL A 70 1.228 -6.642 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.661 -8.062 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.367 -8.867 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.482 -9.330 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.316 -6.448 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.500 -7.647 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.056 -6.075 6.718 1.00 0.00 H new ATOM 1047 N ARG A 71 4.060 -6.101 4.235 1.00 0.00 N ATOM 1048 CA ARG A 71 5.040 -5.029 4.364 1.00 0.00 C ATOM 1049 C ARG A 71 4.398 -3.671 4.096 1.00 0.00 C ATOM 1050 O ARG A 71 3.381 -3.579 3.411 1.00 0.00 O ATOM 1051 CB ARG A 71 6.204 -5.254 3.398 1.00 0.00 C ATOM 1052 CG ARG A 71 6.812 -6.644 3.490 1.00 0.00 C ATOM 1053 CD ARG A 71 7.799 -6.745 4.642 1.00 0.00 C ATOM 1054 NE ARG A 71 7.162 -6.495 5.932 1.00 0.00 N ATOM 1055 CZ ARG A 71 7.818 -6.066 7.005 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.123 -5.842 6.943 1.00 0.00 N ATOM 1057 NH2 ARG A 71 7.168 -5.861 8.144 1.00 0.00 N ATOM 0 H ARG A 71 3.569 -6.118 3.341 1.00 0.00 H new ATOM 0 HA ARG A 71 5.418 -5.038 5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.857 -5.085 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.979 -4.514 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.020 -7.381 3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.317 -6.884 2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.250 -7.737 4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.606 -6.028 4.491 1.00 0.00 H new ATOM 0 HE ARG A 71 6.159 -6.659 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.626 -5.999 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.624 -5.513 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.164 -6.033 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.673 -5.532 8.967 1.00 0.00 H new ATOM 1071 N ASN A 72 5.000 -2.619 4.643 1.00 0.00 N ATOM 1072 CA ASN A 72 4.486 -1.266 4.463 1.00 0.00 C ATOM 1073 C ASN A 72 5.506 -0.388 3.745 1.00 0.00 C ATOM 1074 O ASN A 72 6.708 -0.479 3.999 1.00 0.00 O ATOM 1075 CB ASN A 72 4.130 -0.650 5.818 1.00 0.00 C ATOM 1076 CG ASN A 72 2.892 -1.276 6.430 1.00 0.00 C ATOM 1077 OD1 ASN A 72 1.818 -0.673 6.439 1.00 0.00 O ATOM 1078 ND2 ASN A 72 3.036 -2.491 6.945 1.00 0.00 N ATOM 0 H ASN A 72 5.843 -2.678 5.214 1.00 0.00 H new ATOM 0 HA ASN A 72 3.587 -1.323 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.971 -0.771 6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.970 0.421 5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.238 -2.963 7.370 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.945 -2.953 6.915 1.00 0.00 H new ATOM 1085 N TYR A 73 5.019 0.463 2.849 1.00 0.00 N ATOM 1086 CA TYR A 73 5.888 1.357 2.092 1.00 0.00 C ATOM 1087 C TYR A 73 5.321 2.773 2.065 1.00 0.00 C ATOM 1088 O TYR A 73 4.475 3.099 1.232 1.00 0.00 O ATOM 1089 CB TYR A 73 6.067 0.839 0.664 1.00 0.00 C ATOM 1090 CG TYR A 73 6.911 -0.413 0.575 1.00 0.00 C ATOM 1091 CD1 TYR A 73 6.352 -1.667 0.790 1.00 0.00 C ATOM 1092 CD2 TYR A 73 8.266 -0.341 0.277 1.00 0.00 C ATOM 1093 CE1 TYR A 73 7.119 -2.813 0.710 1.00 0.00 C ATOM 1094 CE2 TYR A 73 9.040 -1.483 0.194 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.462 -2.716 0.412 1.00 0.00 C ATOM 1096 OH TYR A 73 9.230 -3.855 0.331 1.00 0.00 O ATOM 0 H TYR A 73 4.027 0.553 2.629 1.00 0.00 H new ATOM 0 HA TYR A 73 6.859 1.384 2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.086 0.637 0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.526 1.620 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.301 -1.747 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.722 0.623 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.669 -3.780 0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.092 -1.410 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 73 10.175 -3.621 0.447 1.00 0.00 H new ATOM 1106 N ARG A 74 5.795 3.611 2.981 1.00 0.00 N ATOM 1107 CA ARG A 74 5.336 4.992 3.064 1.00 0.00 C ATOM 1108 C ARG A 74 5.529 5.709 1.731 1.00 0.00 C ATOM 1109 O ARG A 74 6.651 6.054 1.358 1.00 0.00 O ATOM 1110 CB ARG A 74 6.087 5.736 4.169 1.00 0.00 C ATOM 1111 CG ARG A 74 5.277 6.851 4.812 1.00 0.00 C ATOM 1112 CD ARG A 74 5.430 8.159 4.052 1.00 0.00 C ATOM 1113 NE ARG A 74 4.306 9.062 4.286 1.00 0.00 N ATOM 1114 CZ ARG A 74 4.426 10.384 4.346 1.00 0.00 C ATOM 1115 NH1 ARG A 74 5.613 10.953 4.189 1.00 0.00 N ATOM 1116 NH2 ARG A 74 3.357 11.139 4.562 1.00 0.00 N ATOM 0 H ARG A 74 6.497 3.357 3.676 1.00 0.00 H new ATOM 0 HA ARG A 74 4.272 4.982 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.383 5.023 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.003 6.157 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.225 6.567 4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.600 6.988 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.356 8.647 4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.512 7.951 2.985 1.00 0.00 H new ATOM 0 HE ARG A 74 3.379 8.656 4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.437 10.376 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.702 11.968 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.442 10.705 4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.450 12.154 4.608 1.00 0.00 H new ATOM 1130 N ILE A 75 4.429 5.930 1.019 1.00 0.00 N ATOM 1131 CA ILE A 75 4.478 6.606 -0.272 1.00 0.00 C ATOM 1132 C ILE A 75 4.663 8.110 -0.097 1.00 0.00 C ATOM 1133 O ILE A 75 3.692 8.867 -0.073 1.00 0.00 O ATOM 1134 CB ILE A 75 3.200 6.349 -1.091 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.000 4.848 -1.307 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.270 7.077 -2.425 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.576 4.471 -1.651 1.00 0.00 C ATOM 0 H ILE A 75 3.493 5.651 1.314 1.00 0.00 H new ATOM 0 HA ILE A 75 5.333 6.197 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 75 2.346 6.734 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.659 4.513 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.300 4.316 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.359 6.885 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.370 8.148 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.131 6.720 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.509 3.392 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.913 4.774 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.278 4.975 -2.571 1.00 0.00 H new ATOM 1149 N PHE A 76 5.916 8.536 0.022 1.00 0.00 N ATOM 1150 CA PHE A 76 6.229 9.950 0.193 1.00 0.00 C ATOM 1151 C PHE A 76 5.751 10.762 -1.007 1.00 0.00 C ATOM 1152 O PHE A 76 5.373 10.203 -2.036 1.00 0.00 O ATOM 1153 CB PHE A 76 7.735 10.141 0.385 1.00 0.00 C ATOM 1154 CG PHE A 76 8.285 9.406 1.574 1.00 0.00 C ATOM 1155 CD1 PHE A 76 8.297 9.998 2.827 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.792 8.124 1.438 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.802 9.324 3.922 1.00 0.00 C ATOM 1158 CE2 PHE A 76 9.299 7.445 2.530 1.00 0.00 C ATOM 1159 CZ PHE A 76 9.305 8.046 3.773 1.00 0.00 C ATOM 0 H PHE A 76 6.731 7.923 0.003 1.00 0.00 H new ATOM 0 HA PHE A 76 5.708 10.307 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.253 9.804 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.947 11.204 0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.907 10.998 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.791 7.650 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.804 9.796 4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.690 6.445 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.702 7.518 4.627 1.00 0.00 H new ATOM 1169 N GLU A 77 5.771 12.084 -0.866 1.00 0.00 N ATOM 1170 CA GLU A 77 5.338 12.973 -1.937 1.00 0.00 C ATOM 1171 C GLU A 77 6.334 14.111 -2.136 1.00 0.00 C ATOM 1172 O GLU A 77 6.268 15.136 -1.456 1.00 0.00 O ATOM 1173 CB GLU A 77 3.951 13.542 -1.630 1.00 0.00 C ATOM 1174 CG GLU A 77 3.336 14.306 -2.790 1.00 0.00 C ATOM 1175 CD GLU A 77 2.252 15.269 -2.345 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.167 14.796 -1.946 1.00 0.00 O ATOM 1177 OE2 GLU A 77 2.489 16.494 -2.396 1.00 0.00 O ATOM 0 H GLU A 77 6.082 12.562 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 77 5.288 12.392 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.286 12.725 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.022 14.204 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.117 14.860 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.917 13.598 -3.505 1.00 0.00 H new ATOM 1184 N LYS A 78 7.259 13.924 -3.072 1.00 0.00 N ATOM 1185 CA LYS A 78 8.270 14.934 -3.363 1.00 0.00 C ATOM 1186 C LYS A 78 8.263 15.300 -4.843 1.00 0.00 C ATOM 1187 O LYS A 78 7.999 14.457 -5.700 1.00 0.00 O ATOM 1188 CB LYS A 78 9.656 14.428 -2.958 1.00 0.00 C ATOM 1189 CG LYS A 78 10.796 15.222 -3.572 1.00 0.00 C ATOM 1190 CD LYS A 78 12.136 14.828 -2.971 1.00 0.00 C ATOM 1191 CE LYS A 78 12.454 15.651 -1.732 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.795 17.060 -2.074 1.00 0.00 N ATOM 0 H LYS A 78 7.329 13.081 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 78 8.033 15.827 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.743 14.463 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.752 13.383 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.817 15.057 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.625 16.287 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.123 13.769 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.923 14.965 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.598 15.638 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.287 15.195 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.306 17.496 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.396 17.076 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.922 17.594 -2.258 1.00 0.00 H new ATOM 1206 N ASP A 79 8.557 16.562 -5.137 1.00 0.00 N ATOM 1207 CA ASP A 79 8.587 17.039 -6.515 1.00 0.00 C ATOM 1208 C ASP A 79 7.344 16.587 -7.274 1.00 0.00 C ATOM 1209 O ASP A 79 7.393 16.351 -8.481 1.00 0.00 O ATOM 1210 CB ASP A 79 9.845 16.535 -7.224 1.00 0.00 C ATOM 1211 CG ASP A 79 10.312 17.479 -8.314 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.376 18.699 -8.056 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.613 16.998 -9.427 1.00 0.00 O ATOM 0 H ASP A 79 8.778 17.273 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 79 8.602 18.129 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.643 16.405 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.647 15.555 -7.657 1.00 0.00 H new ATOM 1218 N SER A 80 6.230 16.466 -6.558 1.00 0.00 N ATOM 1219 CA SER A 80 4.975 16.037 -7.164 1.00 0.00 C ATOM 1220 C SER A 80 5.104 14.631 -7.743 1.00 0.00 C ATOM 1221 O SER A 80 4.513 14.315 -8.775 1.00 0.00 O ATOM 1222 CB SER A 80 4.552 17.016 -8.261 1.00 0.00 C ATOM 1223 OG SER A 80 4.374 18.321 -7.739 1.00 0.00 O ATOM 0 H SER A 80 6.171 16.659 -5.558 1.00 0.00 H new ATOM 0 HA SER A 80 4.211 16.022 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.307 17.035 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.624 16.675 -8.719 1.00 0.00 H new ATOM 0 HG SER A 80 4.106 18.928 -8.460 1.00 0.00 H new ATOM 1229 N LYS A 81 5.882 13.790 -7.069 1.00 0.00 N ATOM 1230 CA LYS A 81 6.089 12.417 -7.514 1.00 0.00 C ATOM 1231 C LYS A 81 6.169 11.466 -6.324 1.00 0.00 C ATOM 1232 O LYS A 81 6.865 11.737 -5.345 1.00 0.00 O ATOM 1233 CB LYS A 81 7.369 12.317 -8.347 1.00 0.00 C ATOM 1234 CG LYS A 81 7.434 13.320 -9.486 1.00 0.00 C ATOM 1235 CD LYS A 81 8.285 12.805 -10.634 1.00 0.00 C ATOM 1236 CE LYS A 81 8.588 13.905 -11.640 1.00 0.00 C ATOM 1237 NZ LYS A 81 7.368 14.678 -12.001 1.00 0.00 N ATOM 0 H LYS A 81 6.379 14.035 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 81 5.238 12.129 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.230 12.465 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.448 11.310 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.426 13.530 -9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.845 14.261 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.219 12.400 -10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.767 11.986 -11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.336 14.580 -11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.019 13.466 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.281 14.726 -13.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.529 14.208 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.440 15.641 -11.615 1.00 0.00 H new ATOM 1251 N PHE A 82 5.453 10.350 -6.415 1.00 0.00 N ATOM 1252 CA PHE A 82 5.443 9.359 -5.345 1.00 0.00 C ATOM 1253 C PHE A 82 6.780 8.627 -5.270 1.00 0.00 C ATOM 1254 O PHE A 82 7.290 8.139 -6.278 1.00 0.00 O ATOM 1255 CB PHE A 82 4.310 8.354 -5.563 1.00 0.00 C ATOM 1256 CG PHE A 82 3.016 8.991 -5.984 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.340 9.846 -5.129 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.477 8.734 -7.234 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.149 10.432 -5.512 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.286 9.318 -7.623 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.622 10.169 -6.762 1.00 0.00 C ATOM 0 H PHE A 82 4.872 10.109 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 82 5.280 9.880 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.615 7.634 -6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.148 7.796 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.749 10.057 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.993 8.070 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.630 11.095 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.875 9.109 -8.600 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.307 10.628 -7.065 1.00 0.00 H new ATOM 1271 N TYR A 83 7.342 8.557 -4.068 1.00 0.00 N ATOM 1272 CA TYR A 83 8.620 7.888 -3.861 1.00 0.00 C ATOM 1273 C TYR A 83 8.647 7.169 -2.515 1.00 0.00 C ATOM 1274 O TYR A 83 7.939 7.547 -1.581 1.00 0.00 O ATOM 1275 CB TYR A 83 9.766 8.898 -3.935 1.00 0.00 C ATOM 1276 CG TYR A 83 9.929 9.722 -2.677 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.682 9.251 -1.608 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.330 10.969 -2.557 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.834 10.000 -0.457 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.477 11.725 -1.410 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.230 11.236 -0.363 1.00 0.00 C ATOM 1282 OH TYR A 83 10.377 11.985 0.782 1.00 0.00 O ATOM 0 H TYR A 83 6.932 8.955 -3.223 1.00 0.00 H new ATOM 0 HA TYR A 83 8.746 7.147 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.696 8.366 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.595 9.567 -4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.156 8.283 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.739 11.355 -3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.423 9.619 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.005 12.693 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 83 9.840 11.592 1.501 1.00 0.00 H new ATOM 1292 N LEU A 84 9.470 6.130 -2.423 1.00 0.00 N ATOM 1293 CA LEU A 84 9.592 5.357 -1.192 1.00 0.00 C ATOM 1294 C LEU A 84 10.975 5.532 -0.573 1.00 0.00 C ATOM 1295 O LEU A 84 11.115 5.595 0.647 1.00 0.00 O ATOM 1296 CB LEU A 84 9.328 3.876 -1.469 1.00 0.00 C ATOM 1297 CG LEU A 84 8.147 3.565 -2.389 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.981 2.062 -2.555 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.869 4.187 -1.845 1.00 0.00 C ATOM 0 H LEU A 84 10.063 5.804 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 84 8.849 5.726 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.227 3.443 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.163 3.373 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 84 8.350 3.998 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.136 1.860 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.888 1.642 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.800 1.606 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.039 3.955 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.661 3.784 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.990 5.268 -1.778 1.00 0.00 H new ATOM 1311 N GLU A 85 11.993 5.612 -1.425 1.00 0.00 N ATOM 1312 CA GLU A 85 13.365 5.781 -0.961 1.00 0.00 C ATOM 1313 C GLU A 85 13.747 7.258 -0.922 1.00 0.00 C ATOM 1314 O GLU A 85 14.241 7.756 0.089 1.00 0.00 O ATOM 1315 CB GLU A 85 14.331 5.016 -1.867 1.00 0.00 C ATOM 1316 CG GLU A 85 14.284 5.460 -3.320 1.00 0.00 C ATOM 1317 CD GLU A 85 14.770 4.386 -4.274 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.957 4.006 -4.185 1.00 0.00 O ATOM 1319 OE2 GLU A 85 13.964 3.926 -5.109 1.00 0.00 O ATOM 0 H GLU A 85 11.893 5.563 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 85 13.432 5.379 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.346 5.142 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.101 3.952 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.262 5.735 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.896 6.354 -3.443 1.00 0.00 H new ATOM 1326 N GLY A 86 13.516 7.953 -2.031 1.00 0.00 N ATOM 1327 CA GLY A 86 13.842 9.365 -2.104 1.00 0.00 C ATOM 1328 C GLY A 86 14.265 9.791 -3.496 1.00 0.00 C ATOM 1329 O GLY A 86 13.435 9.890 -4.399 1.00 0.00 O ATOM 0 H GLY A 86 13.109 7.563 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.976 9.951 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.644 9.586 -1.400 1.00 0.00 H new ATOM 1333 N GLU A 87 15.558 10.047 -3.668 1.00 0.00 N ATOM 1334 CA GLU A 87 16.087 10.468 -4.960 1.00 0.00 C ATOM 1335 C GLU A 87 15.309 9.822 -6.103 1.00 0.00 C ATOM 1336 O GLU A 87 15.111 10.430 -7.155 1.00 0.00 O ATOM 1337 CB GLU A 87 17.570 10.109 -5.070 1.00 0.00 C ATOM 1338 CG GLU A 87 17.858 8.636 -4.836 1.00 0.00 C ATOM 1339 CD GLU A 87 19.165 8.190 -5.463 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.173 7.902 -6.678 1.00 0.00 O ATOM 1341 OE2 GLU A 87 20.180 8.129 -4.738 1.00 0.00 O ATOM 0 H GLU A 87 16.258 9.970 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 87 15.976 11.550 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.930 10.388 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.133 10.700 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.889 8.442 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.042 8.041 -5.245 1.00 0.00 H new ATOM 1348 N VAL A 88 14.872 8.586 -5.889 1.00 0.00 N ATOM 1349 CA VAL A 88 14.116 7.856 -6.900 1.00 0.00 C ATOM 1350 C VAL A 88 12.615 8.029 -6.694 1.00 0.00 C ATOM 1351 O VAL A 88 12.024 7.415 -5.805 1.00 0.00 O ATOM 1352 CB VAL A 88 14.456 6.354 -6.880 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.694 5.620 -7.973 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.955 6.146 -7.031 1.00 0.00 C ATOM 0 H VAL A 88 15.028 8.068 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 88 14.398 8.271 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 88 14.150 5.942 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.947 4.560 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.623 5.742 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.966 6.031 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.178 5.079 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.288 6.572 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.475 6.638 -6.209 1.00 0.00 H new ATOM 1364 N LEU A 89 12.003 8.868 -7.523 1.00 0.00 N ATOM 1365 CA LEU A 89 10.569 9.122 -7.433 1.00 0.00 C ATOM 1366 C LEU A 89 9.856 8.672 -8.704 1.00 0.00 C ATOM 1367 O LEU A 89 10.491 8.222 -9.659 1.00 0.00 O ATOM 1368 CB LEU A 89 10.309 10.610 -7.188 1.00 0.00 C ATOM 1369 CG LEU A 89 11.312 11.326 -6.283 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.415 11.967 -7.111 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.608 12.371 -5.429 1.00 0.00 C ATOM 0 H LEU A 89 12.477 9.384 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 89 10.175 8.548 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.292 11.119 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.316 10.718 -6.753 1.00 0.00 H new ATOM 0 HG LEU A 89 11.765 10.589 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.119 12.472 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.938 11.197 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.979 12.692 -7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.337 12.871 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.127 13.105 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.855 11.886 -4.808 1.00 0.00 H new ATOM 1383 N PHE A 90 8.533 8.799 -8.711 1.00 0.00 N ATOM 1384 CA PHE A 90 7.733 8.406 -9.865 1.00 0.00 C ATOM 1385 C PHE A 90 6.589 9.390 -10.094 1.00 0.00 C ATOM 1386 O PHE A 90 5.696 9.526 -9.258 1.00 0.00 O ATOM 1387 CB PHE A 90 7.176 6.995 -9.670 1.00 0.00 C ATOM 1388 CG PHE A 90 8.241 5.944 -9.532 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.739 5.292 -10.648 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.743 5.608 -8.285 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.718 4.325 -10.525 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.723 4.642 -8.155 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.210 3.999 -9.276 1.00 0.00 C ATOM 0 H PHE A 90 7.992 9.171 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 90 8.378 8.416 -10.743 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.546 6.981 -8.781 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.537 6.745 -10.517 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.357 5.543 -11.627 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.364 6.106 -7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.098 3.825 -11.404 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.108 4.390 -7.178 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.974 3.242 -9.176 1.00 0.00 H new ATOM 1403 N VAL A 91 6.624 10.074 -11.233 1.00 0.00 N ATOM 1404 CA VAL A 91 5.590 11.045 -11.573 1.00 0.00 C ATOM 1405 C VAL A 91 4.201 10.503 -11.254 1.00 0.00 C ATOM 1406 O VAL A 91 3.254 11.267 -11.068 1.00 0.00 O ATOM 1407 CB VAL A 91 5.650 11.429 -13.063 1.00 0.00 C ATOM 1408 CG1 VAL A 91 5.078 10.315 -13.926 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.910 12.736 -13.306 1.00 0.00 C ATOM 0 H VAL A 91 7.357 9.974 -11.936 1.00 0.00 H new ATOM 0 HA VAL A 91 5.778 11.933 -10.969 1.00 0.00 H new ATOM 0 HB VAL A 91 6.694 11.571 -13.342 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.129 10.605 -14.975 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.655 9.403 -13.773 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.039 10.137 -13.649 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.962 12.992 -14.364 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.867 12.624 -13.011 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.370 13.530 -12.717 1.00 0.00 H new ATOM 1419 N SER A 92 4.088 9.181 -11.193 1.00 0.00 N ATOM 1420 CA SER A 92 2.813 8.536 -10.900 1.00 0.00 C ATOM 1421 C SER A 92 3.026 7.096 -10.441 1.00 0.00 C ATOM 1422 O SER A 92 3.988 6.441 -10.840 1.00 0.00 O ATOM 1423 CB SER A 92 1.909 8.561 -12.133 1.00 0.00 C ATOM 1424 OG SER A 92 2.566 8.005 -13.259 1.00 0.00 O ATOM 0 H SER A 92 4.863 8.535 -11.342 1.00 0.00 H new ATOM 0 HA SER A 92 2.331 9.089 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.995 8.003 -11.929 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.614 9.587 -12.351 1.00 0.00 H new ATOM 0 HG SER A 92 1.966 8.031 -14.034 1.00 0.00 H new ATOM 1430 N VAL A 93 2.119 6.610 -9.598 1.00 0.00 N ATOM 1431 CA VAL A 93 2.205 5.249 -9.085 1.00 0.00 C ATOM 1432 C VAL A 93 2.419 4.248 -10.214 1.00 0.00 C ATOM 1433 O VAL A 93 3.259 3.354 -10.115 1.00 0.00 O ATOM 1434 CB VAL A 93 0.935 4.862 -8.305 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.048 3.443 -7.769 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.683 5.848 -7.174 1.00 0.00 C ATOM 0 H VAL A 93 1.317 7.139 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 93 3.060 5.219 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 93 0.086 4.901 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.141 3.188 -7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.177 2.749 -8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.907 3.373 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.218 5.559 -6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.533 5.843 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.554 6.849 -7.586 1.00 0.00 H new ATOM 1446 N GLY A 94 1.653 4.404 -11.290 1.00 0.00 N ATOM 1447 CA GLY A 94 1.774 3.507 -12.424 1.00 0.00 C ATOM 1448 C GLY A 94 3.218 3.210 -12.776 1.00 0.00 C ATOM 1449 O GLY A 94 3.660 2.064 -12.698 1.00 0.00 O ATOM 0 H GLY A 94 0.951 5.136 -11.396 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.258 2.573 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.276 3.948 -13.287 1.00 0.00 H new ATOM 1453 N SER A 95 3.955 4.245 -13.167 1.00 0.00 N ATOM 1454 CA SER A 95 5.357 4.088 -13.539 1.00 0.00 C ATOM 1455 C SER A 95 6.128 3.350 -12.449 1.00 0.00 C ATOM 1456 O SER A 95 6.946 2.476 -12.735 1.00 0.00 O ATOM 1457 CB SER A 95 5.994 5.455 -13.795 1.00 0.00 C ATOM 1458 OG SER A 95 5.879 5.824 -15.158 1.00 0.00 O ATOM 0 H SER A 95 3.605 5.201 -13.234 1.00 0.00 H new ATOM 0 HA SER A 95 5.402 3.498 -14.454 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.513 6.207 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.046 5.429 -13.510 1.00 0.00 H new ATOM 0 HG SER A 95 6.292 6.702 -15.295 1.00 0.00 H new ATOM 1464 N MET A 96 5.862 3.710 -11.197 1.00 0.00 N ATOM 1465 CA MET A 96 6.529 3.081 -10.063 1.00 0.00 C ATOM 1466 C MET A 96 6.405 1.563 -10.132 1.00 0.00 C ATOM 1467 O MET A 96 7.404 0.845 -10.087 1.00 0.00 O ATOM 1468 CB MET A 96 5.939 3.594 -8.748 1.00 0.00 C ATOM 1469 CG MET A 96 6.736 3.180 -7.522 1.00 0.00 C ATOM 1470 SD MET A 96 6.267 4.101 -6.045 1.00 0.00 S ATOM 1471 CE MET A 96 4.547 3.630 -5.883 1.00 0.00 C ATOM 0 H MET A 96 5.190 4.434 -10.943 1.00 0.00 H new ATOM 0 HA MET A 96 7.586 3.343 -10.105 1.00 0.00 H new ATOM 0 HB2 MET A 96 5.883 4.682 -8.784 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.918 3.225 -8.649 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.591 2.115 -7.342 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.798 3.329 -7.716 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.269 3.626 -4.829 1.00 0.00 H new ATOM 0 HE2 MET A 96 3.922 4.343 -6.421 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.402 2.634 -6.301 1.00 0.00 H new ATOM 1481 N VAL A 97 5.171 1.079 -10.241 1.00 0.00 N ATOM 1482 CA VAL A 97 4.916 -0.355 -10.316 1.00 0.00 C ATOM 1483 C VAL A 97 5.718 -0.997 -11.443 1.00 0.00 C ATOM 1484 O VAL A 97 6.357 -2.031 -11.251 1.00 0.00 O ATOM 1485 CB VAL A 97 3.420 -0.648 -10.534 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.156 -2.145 -10.487 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.578 0.083 -9.500 1.00 0.00 C ATOM 0 H VAL A 97 4.333 1.659 -10.279 1.00 0.00 H new ATOM 0 HA VAL A 97 5.227 -0.783 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 97 3.137 -0.285 -11.522 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.094 -2.332 -10.643 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.731 -2.641 -11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.454 -2.537 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.524 -0.135 -9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.861 -0.247 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.745 1.157 -9.588 1.00 0.00 H new ATOM 1497 N GLU A 98 5.680 -0.376 -12.618 1.00 0.00 N ATOM 1498 CA GLU A 98 6.403 -0.888 -13.775 1.00 0.00 C ATOM 1499 C GLU A 98 7.903 -0.943 -13.499 1.00 0.00 C ATOM 1500 O GLU A 98 8.599 -1.845 -13.965 1.00 0.00 O ATOM 1501 CB GLU A 98 6.131 -0.015 -15.002 1.00 0.00 C ATOM 1502 CG GLU A 98 4.714 0.531 -15.058 1.00 0.00 C ATOM 1503 CD GLU A 98 4.219 0.724 -16.478 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.841 1.512 -17.220 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.209 0.088 -16.846 1.00 0.00 O ATOM 0 H GLU A 98 5.156 0.482 -12.793 1.00 0.00 H new ATOM 0 HA GLU A 98 6.050 -1.900 -13.973 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.833 0.819 -15.007 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.322 -0.599 -15.902 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.045 -0.151 -14.534 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.675 1.484 -14.531 1.00 0.00 H new ATOM 1512 N HIS A 99 8.394 0.030 -12.738 1.00 0.00 N ATOM 1513 CA HIS A 99 9.812 0.094 -12.399 1.00 0.00 C ATOM 1514 C HIS A 99 10.192 -1.031 -11.441 1.00 0.00 C ATOM 1515 O HIS A 99 11.174 -1.740 -11.661 1.00 0.00 O ATOM 1516 CB HIS A 99 10.148 1.448 -11.774 1.00 0.00 C ATOM 1517 CG HIS A 99 11.459 1.465 -11.050 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.773 1.117 -9.780 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.637 1.878 -11.635 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 13.121 1.324 -9.623 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.619 1.783 -10.757 1.00 0.00 N flip ATOM 0 H HIS A 99 7.832 0.785 -12.344 1.00 0.00 H new ATOM 0 HA HIS A 99 10.386 -0.025 -13.318 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.165 2.206 -12.557 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.355 1.725 -11.079 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.128 0.766 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.741 2.225 -12.652 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.683 1.141 -8.719 1.00 0.00 H new ATOM 1530 N TYR A 100 9.410 -1.186 -10.379 1.00 0.00 N ATOM 1531 CA TYR A 100 9.667 -2.223 -9.386 1.00 0.00 C ATOM 1532 C TYR A 100 9.500 -3.612 -9.993 1.00 0.00 C ATOM 1533 O TYR A 100 10.193 -4.556 -9.613 1.00 0.00 O ATOM 1534 CB TYR A 100 8.726 -2.059 -8.192 1.00 0.00 C ATOM 1535 CG TYR A 100 9.013 -0.830 -7.359 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.319 -0.417 -7.121 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.980 -0.082 -6.809 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.586 0.704 -6.360 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.238 1.042 -6.048 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.543 1.431 -5.826 1.00 0.00 C ATOM 1541 OH TYR A 100 9.804 2.548 -5.067 1.00 0.00 O ATOM 0 H TYR A 100 8.593 -0.607 -10.183 1.00 0.00 H new ATOM 0 HA TYR A 100 10.697 -2.117 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.699 -2.011 -8.554 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.800 -2.943 -7.558 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.139 -0.983 -7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.957 -0.384 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.607 1.010 -6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.423 1.613 -5.629 1.00 0.00 H new ATOM 0 HH TYR A 100 9.265 3.298 -5.393 1.00 0.00 H new ATOM 1551 N HIS A 101 8.574 -3.730 -10.940 1.00 0.00 N ATOM 1552 CA HIS A 101 8.314 -5.004 -11.601 1.00 0.00 C ATOM 1553 C HIS A 101 9.614 -5.767 -11.840 1.00 0.00 C ATOM 1554 O HIS A 101 9.626 -6.998 -11.878 1.00 0.00 O ATOM 1555 CB HIS A 101 7.593 -4.775 -12.930 1.00 0.00 C ATOM 1556 CG HIS A 101 6.100 -4.792 -12.812 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.264 -5.038 -13.880 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.294 -4.594 -11.743 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.008 -4.989 -13.473 1.00 0.00 C ATOM 1560 NE2 HIS A 101 3.999 -4.721 -12.180 1.00 0.00 N ATOM 0 H HIS A 101 7.992 -2.959 -11.267 1.00 0.00 H new ATOM 0 HA HIS A 101 7.677 -5.601 -10.948 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.906 -3.816 -13.343 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.902 -5.543 -13.639 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.611 -4.376 -10.734 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.137 -5.142 -14.093 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.165 -4.624 -11.600 1.00 0.00 H new ATOM 1569 N THR A 102 10.708 -5.028 -11.999 1.00 0.00 N ATOM 1570 CA THR A 102 12.012 -5.634 -12.235 1.00 0.00 C ATOM 1571 C THR A 102 12.981 -5.313 -11.103 1.00 0.00 C ATOM 1572 O THR A 102 13.931 -6.056 -10.856 1.00 0.00 O ATOM 1573 CB THR A 102 12.620 -5.158 -13.568 1.00 0.00 C ATOM 1574 OG1 THR A 102 14.048 -5.250 -13.516 1.00 0.00 O ATOM 1575 CG2 THR A 102 12.211 -3.723 -13.867 1.00 0.00 C ATOM 0 H THR A 102 10.716 -4.008 -11.968 1.00 0.00 H new ATOM 0 HA THR A 102 11.856 -6.712 -12.280 1.00 0.00 H new ATOM 0 HB THR A 102 12.243 -5.801 -14.364 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.427 -4.947 -14.368 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.652 -3.409 -14.813 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.125 -3.661 -13.935 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.563 -3.070 -13.068 1.00 0.00 H new ATOM 1583 N HIS A 103 12.735 -4.200 -10.418 1.00 0.00 N ATOM 1584 CA HIS A 103 13.586 -3.781 -9.310 1.00 0.00 C ATOM 1585 C HIS A 103 12.878 -3.983 -7.974 1.00 0.00 C ATOM 1586 O HIS A 103 12.158 -3.102 -7.503 1.00 0.00 O ATOM 1587 CB HIS A 103 13.985 -2.314 -9.473 1.00 0.00 C ATOM 1588 CG HIS A 103 15.181 -2.113 -10.353 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.080 -1.083 -10.176 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.623 -2.817 -11.421 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.023 -1.162 -11.098 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.769 -2.206 -11.866 1.00 0.00 N ATOM 0 H HIS A 103 11.954 -3.573 -10.611 1.00 0.00 H new ATOM 0 HA HIS A 103 14.485 -4.398 -9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.142 -1.761 -9.887 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.192 -1.891 -8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.160 -3.696 -11.844 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.860 -0.487 -11.205 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.333 -2.509 -12.660 1.00 0.00 H new ATOM 1601 N VAL A 104 13.086 -5.148 -7.369 1.00 0.00 N ATOM 1602 CA VAL A 104 12.467 -5.465 -6.088 1.00 0.00 C ATOM 1603 C VAL A 104 12.377 -4.229 -5.200 1.00 0.00 C ATOM 1604 O VAL A 104 13.233 -3.345 -5.258 1.00 0.00 O ATOM 1605 CB VAL A 104 13.251 -6.562 -5.343 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.749 -6.337 -5.483 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.845 -6.604 -3.877 1.00 0.00 C ATOM 0 H VAL A 104 13.679 -5.888 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 104 11.462 -5.828 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 104 13.009 -7.525 -5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.286 -7.122 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.024 -6.361 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.012 -5.367 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.408 -7.384 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.057 -5.641 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.779 -6.817 -3.801 1.00 0.00 H new ATOM 1617 N LEU A 105 11.334 -4.172 -4.379 1.00 0.00 N ATOM 1618 CA LEU A 105 11.131 -3.043 -3.478 1.00 0.00 C ATOM 1619 C LEU A 105 12.170 -3.044 -2.361 1.00 0.00 C ATOM 1620 O LEU A 105 12.743 -4.077 -2.014 1.00 0.00 O ATOM 1621 CB LEU A 105 9.723 -3.089 -2.881 1.00 0.00 C ATOM 1622 CG LEU A 105 8.599 -3.478 -3.841 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.428 -4.076 -3.078 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.149 -2.271 -4.652 1.00 0.00 C ATOM 0 H LEU A 105 10.616 -4.894 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 105 11.245 -2.125 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.725 -3.795 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.495 -2.108 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 105 8.980 -4.232 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.638 -4.347 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.759 -4.966 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.047 -3.345 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.348 -2.566 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.786 -1.495 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.990 -1.886 -5.229 1.00 0.00 H new ATOM 1636 N PRO A 106 12.417 -1.860 -1.781 1.00 0.00 N ATOM 1637 CA PRO A 106 13.385 -1.699 -0.693 1.00 0.00 C ATOM 1638 C PRO A 106 12.913 -2.346 0.605 1.00 0.00 C ATOM 1639 O PRO A 106 11.728 -2.638 0.768 1.00 0.00 O ATOM 1640 CB PRO A 106 13.484 -0.180 -0.528 1.00 0.00 C ATOM 1641 CG PRO A 106 12.184 0.341 -1.036 1.00 0.00 C ATOM 1642 CD PRO A 106 11.770 -0.588 -2.143 1.00 0.00 C ATOM 0 HA PRO A 106 14.336 -2.180 -0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.641 0.096 0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.322 0.226 -1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.436 0.362 -0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.289 1.362 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.686 -0.690 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.106 -0.229 -3.116 1.00 0.00 H new ATOM 1650 N SER A 107 13.846 -2.567 1.525 1.00 0.00 N ATOM 1651 CA SER A 107 13.525 -3.183 2.807 1.00 0.00 C ATOM 1652 C SER A 107 13.113 -4.640 2.622 1.00 0.00 C ATOM 1653 O SER A 107 12.389 -5.202 3.444 1.00 0.00 O ATOM 1654 CB SER A 107 12.403 -2.408 3.502 1.00 0.00 C ATOM 1655 OG SER A 107 12.723 -1.032 3.608 1.00 0.00 O ATOM 0 H SER A 107 14.831 -2.329 1.407 1.00 0.00 H new ATOM 0 HA SER A 107 14.419 -3.153 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.475 -2.527 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.232 -2.822 4.496 1.00 0.00 H new ATOM 0 HG SER A 107 11.990 -0.559 4.054 1.00 0.00 H new ATOM 1661 N HIS A 108 13.580 -5.247 1.536 1.00 0.00 N ATOM 1662 CA HIS A 108 13.262 -6.639 1.241 1.00 0.00 C ATOM 1663 C HIS A 108 14.366 -7.286 0.411 1.00 0.00 C ATOM 1664 O HIS A 108 15.401 -6.671 0.153 1.00 0.00 O ATOM 1665 CB HIS A 108 11.928 -6.734 0.499 1.00 0.00 C ATOM 1666 CG HIS A 108 11.097 -7.911 0.907 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.166 -9.136 0.276 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.177 -8.047 1.890 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.322 -9.973 0.852 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.710 -9.337 1.835 1.00 0.00 N ATOM 0 H HIS A 108 14.180 -4.796 0.845 1.00 0.00 H new ATOM 0 HA HIS A 108 13.182 -7.175 2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.359 -5.821 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.121 -6.790 -0.572 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.868 -7.283 2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.160 -11.002 0.568 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.005 -9.739 2.453 1.00 0.00 H new ATOM 1679 N GLN A 109 14.139 -8.528 -0.003 1.00 0.00 N ATOM 1680 CA GLN A 109 15.117 -9.257 -0.803 1.00 0.00 C ATOM 1681 C GLN A 109 14.605 -9.474 -2.223 1.00 0.00 C ATOM 1682 O GLN A 109 15.195 -8.985 -3.187 1.00 0.00 O ATOM 1683 CB GLN A 109 15.436 -10.604 -0.152 1.00 0.00 C ATOM 1684 CG GLN A 109 14.287 -11.174 0.662 1.00 0.00 C ATOM 1685 CD GLN A 109 14.723 -12.299 1.580 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.143 -12.063 2.713 1.00 0.00 O ATOM 1687 NE2 GLN A 109 14.626 -13.531 1.095 1.00 0.00 N ATOM 0 H GLN A 109 13.287 -9.051 0.202 1.00 0.00 H new ATOM 0 HA GLN A 109 16.028 -8.660 -0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.709 -11.318 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.306 -10.489 0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.838 -10.378 1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.515 -11.541 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.272 -13.681 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.905 -14.328 1.667 1.00 0.00 H new ATOM 1696 N SER A 110 13.505 -10.209 -2.345 1.00 0.00 N ATOM 1697 CA SER A 110 12.916 -10.495 -3.648 1.00 0.00 C ATOM 1698 C SER A 110 11.403 -10.302 -3.615 1.00 0.00 C ATOM 1699 O SER A 110 10.642 -11.220 -3.923 1.00 0.00 O ATOM 1700 CB SER A 110 13.251 -11.923 -4.081 1.00 0.00 C ATOM 1701 OG SER A 110 14.645 -12.084 -4.275 1.00 0.00 O ATOM 0 H SER A 110 13.003 -10.618 -1.557 1.00 0.00 H new ATOM 0 HA SER A 110 13.338 -9.796 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.902 -12.627 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.723 -12.160 -5.005 1.00 0.00 H new ATOM 0 HG SER A 110 14.833 -13.006 -4.550 1.00 0.00 H new ATOM 1707 N LEU A 111 10.974 -9.103 -3.238 1.00 0.00 N ATOM 1708 CA LEU A 111 9.551 -8.788 -3.163 1.00 0.00 C ATOM 1709 C LEU A 111 9.152 -7.811 -4.264 1.00 0.00 C ATOM 1710 O LEU A 111 9.303 -6.597 -4.117 1.00 0.00 O ATOM 1711 CB LEU A 111 9.210 -8.199 -1.794 1.00 0.00 C ATOM 1712 CG LEU A 111 7.780 -7.687 -1.620 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.778 -8.787 -1.935 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.570 -7.160 -0.208 1.00 0.00 C ATOM 0 H LEU A 111 11.591 -8.333 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 111 8.991 -9.713 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.396 -8.960 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.896 -7.376 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 111 7.620 -6.867 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.765 -8.405 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.912 -9.118 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.937 -9.628 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.547 -6.800 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.749 -7.961 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.264 -6.341 -0.018 1.00 0.00 H new ATOM 1726 N LEU A 112 8.638 -8.347 -5.366 1.00 0.00 N ATOM 1727 CA LEU A 112 8.214 -7.522 -6.492 1.00 0.00 C ATOM 1728 C LEU A 112 6.693 -7.492 -6.602 1.00 0.00 C ATOM 1729 O LEU A 112 5.993 -8.204 -5.880 1.00 0.00 O ATOM 1730 CB LEU A 112 8.820 -8.050 -7.793 1.00 0.00 C ATOM 1731 CG LEU A 112 10.325 -8.320 -7.772 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.660 -9.544 -8.610 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.092 -7.104 -8.270 1.00 0.00 C ATOM 0 H LEU A 112 8.505 -9.349 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 112 8.568 -6.506 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.309 -8.975 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.611 -7.331 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 112 10.625 -8.517 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.735 -9.720 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.140 -10.413 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.346 -9.377 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.161 -7.314 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.788 -6.875 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.877 -6.250 -7.628 1.00 0.00 H new ATOM 1745 N LEU A 113 6.187 -6.665 -7.510 1.00 0.00 N ATOM 1746 CA LEU A 113 4.748 -6.543 -7.716 1.00 0.00 C ATOM 1747 C LEU A 113 4.295 -7.387 -8.904 1.00 0.00 C ATOM 1748 O LEU A 113 4.539 -7.034 -10.057 1.00 0.00 O ATOM 1749 CB LEU A 113 4.367 -5.079 -7.942 1.00 0.00 C ATOM 1750 CG LEU A 113 4.994 -4.067 -6.982 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.777 -2.648 -7.486 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.418 -4.232 -5.583 1.00 0.00 C ATOM 0 H LEU A 113 6.752 -6.069 -8.115 1.00 0.00 H new ATOM 0 HA LEU A 113 4.245 -6.909 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.645 -4.805 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.283 -4.992 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 113 6.067 -4.254 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.230 -1.942 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.237 -2.536 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.708 -2.448 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.875 -3.504 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.340 -4.072 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.625 -5.239 -5.221 1.00 0.00 H new ATOM 1764 N ARG A 114 3.632 -8.501 -8.612 1.00 0.00 N ATOM 1765 CA ARG A 114 3.144 -9.394 -9.656 1.00 0.00 C ATOM 1766 C ARG A 114 1.657 -9.167 -9.915 1.00 0.00 C ATOM 1767 O ARG A 114 1.257 -8.813 -11.024 1.00 0.00 O ATOM 1768 CB ARG A 114 3.386 -10.853 -9.263 1.00 0.00 C ATOM 1769 CG ARG A 114 4.858 -11.210 -9.124 1.00 0.00 C ATOM 1770 CD ARG A 114 5.074 -12.281 -8.067 1.00 0.00 C ATOM 1771 NE ARG A 114 6.480 -12.405 -7.693 1.00 0.00 N ATOM 1772 CZ ARG A 114 7.353 -13.157 -8.355 1.00 0.00 C ATOM 1773 NH1 ARG A 114 6.965 -13.847 -9.419 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.616 -13.219 -7.954 1.00 0.00 N ATOM 0 H ARG A 114 3.421 -8.807 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 114 3.693 -9.175 -10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.881 -11.055 -8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.932 -11.502 -10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.240 -11.561 -10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.427 -10.318 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.483 -12.042 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.713 -13.239 -8.442 1.00 0.00 H new ATOM 0 HE ARG A 114 6.810 -11.886 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.995 -13.801 -9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.637 -14.424 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.918 -12.689 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.285 -13.797 -8.463 1.00 0.00 H new ATOM 1788 N HIS A 115 0.844 -9.373 -8.884 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.599 -9.190 -9.000 1.00 0.00 C ATOM 1790 C HIS A 115 -1.107 -8.206 -7.951 1.00 0.00 C ATOM 1791 O HIS A 115 -0.797 -8.311 -6.764 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.317 -10.531 -8.849 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.521 -11.697 -9.347 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.435 -12.036 -10.681 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.231 -12.605 -8.681 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.333 -13.102 -10.813 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.751 -13.467 -9.615 1.00 0.00 N ATOM 0 H HIS A 115 1.159 -9.667 -7.959 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.811 -8.782 -9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.557 -10.688 -7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.263 -10.490 -9.389 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.392 -12.644 -7.614 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.578 -13.592 -11.744 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.361 -14.260 -9.416 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.907 -7.225 -8.397 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.475 -6.203 -7.513 1.00 0.00 C ATOM 1808 C PRO A 116 -3.533 -6.772 -6.574 1.00 0.00 C ATOM 1809 O PRO A 116 -3.884 -7.950 -6.659 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.105 -5.204 -8.486 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.401 -6.001 -9.709 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.318 -7.040 -9.799 1.00 0.00 C ATOM 0 HA PRO A 116 -1.721 -5.765 -6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.012 -4.765 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.424 -4.381 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.384 -6.467 -9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.408 -5.367 -10.596 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.687 -7.968 -10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.488 -6.703 -10.420 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.038 -5.930 -5.680 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.056 -6.350 -4.724 1.00 0.00 C ATOM 1822 C TYR A 117 -6.456 -6.071 -5.260 1.00 0.00 C ATOM 1823 O TYR A 117 -6.666 -5.126 -6.019 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.857 -5.632 -3.388 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.081 -5.654 -2.501 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.577 -6.850 -1.995 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.742 -4.478 -2.167 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.695 -6.874 -1.185 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.861 -4.493 -1.356 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.334 -5.693 -0.869 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.448 -5.713 -0.061 1.00 0.00 O ATOM 0 H TYR A 117 -3.759 -4.952 -5.597 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.953 -7.424 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.025 -6.095 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.576 -4.596 -3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.079 -7.777 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.375 -3.536 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.067 -7.812 -0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.362 -3.570 -1.105 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.777 -4.799 0.065 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.413 -6.903 -4.859 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.782 -6.730 -5.308 1.00 0.00 C ATOM 1843 C GLY A 118 -8.992 -7.214 -6.729 1.00 0.00 C ATOM 1844 O GLY A 118 -9.969 -7.904 -7.020 1.00 0.00 O ATOM 0 H GLY A 118 -7.264 -7.693 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.451 -7.272 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.052 -5.676 -5.243 1.00 0.00 H new ATOM 1848 N TYR A 119 -8.073 -6.850 -7.618 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.164 -7.248 -9.017 1.00 0.00 C ATOM 1850 C TYR A 119 -8.496 -8.732 -9.142 1.00 0.00 C ATOM 1851 O TYR A 119 -8.426 -9.481 -8.166 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.851 -6.946 -9.741 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.879 -7.288 -11.214 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.389 -6.393 -12.146 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.393 -8.507 -11.672 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.416 -6.703 -13.492 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.416 -8.824 -13.017 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.929 -7.919 -13.923 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.953 -8.231 -15.263 1.00 0.00 O ATOM 0 H TYR A 119 -7.257 -6.280 -7.394 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.967 -6.674 -9.479 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.618 -5.887 -9.627 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.046 -7.503 -9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.771 -5.439 -11.813 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.991 -9.218 -10.965 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.817 -5.996 -14.203 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.034 -9.775 -13.357 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.572 -9.124 -15.398 1.00 0.00 H new ATOM 1869 N THR A 120 -8.859 -9.151 -10.350 1.00 0.00 N ATOM 1870 CA THR A 120 -9.203 -10.545 -10.604 1.00 0.00 C ATOM 1871 C THR A 120 -8.346 -11.127 -11.723 1.00 0.00 C ATOM 1872 O THR A 120 -8.519 -10.784 -12.892 1.00 0.00 O ATOM 1873 CB THR A 120 -10.689 -10.697 -10.978 1.00 0.00 C ATOM 1874 OG1 THR A 120 -10.938 -12.020 -11.466 1.00 0.00 O ATOM 1875 CG2 THR A 120 -11.089 -9.678 -12.034 1.00 0.00 C ATOM 0 H THR A 120 -8.922 -8.545 -11.168 1.00 0.00 H new ATOM 0 HA THR A 120 -9.011 -11.092 -9.681 1.00 0.00 H new ATOM 0 HB THR A 120 -11.286 -10.522 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 120 -11.885 -12.109 -11.700 1.00 0.00 H new ATOM 0 HG21 THR A 120 -12.143 -9.805 -12.282 1.00 0.00 H new ATOM 0 HG22 THR A 120 -10.926 -8.672 -11.649 1.00 0.00 H new ATOM 0 HG23 THR A 120 -10.485 -9.826 -12.929 1.00 0.00 H new ATOM 1883 N SER A 121 -7.423 -12.010 -11.357 1.00 0.00 N ATOM 1884 CA SER A 121 -6.538 -12.639 -12.330 1.00 0.00 C ATOM 1885 C SER A 121 -7.230 -13.811 -13.017 1.00 0.00 C ATOM 1886 O SER A 121 -7.117 -13.991 -14.229 1.00 0.00 O ATOM 1887 CB SER A 121 -5.254 -13.118 -11.649 1.00 0.00 C ATOM 1888 OG SER A 121 -4.261 -12.107 -11.663 1.00 0.00 O ATOM 0 H SER A 121 -7.268 -12.306 -10.393 1.00 0.00 H new ATOM 0 HA SER A 121 -6.285 -11.896 -13.086 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.470 -13.406 -10.620 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.879 -14.007 -12.156 1.00 0.00 H new ATOM 0 HG SER A 121 -3.451 -12.437 -11.220 1.00 0.00 H new ATOM 1894 N GLY A 122 -7.950 -14.608 -12.233 1.00 0.00 N ATOM 1895 CA GLY A 122 -8.651 -15.754 -12.782 1.00 0.00 C ATOM 1896 C GLY A 122 -10.142 -15.705 -12.514 1.00 0.00 C ATOM 1897 O GLY A 122 -10.711 -14.648 -12.241 1.00 0.00 O ATOM 0 H GLY A 122 -8.060 -14.480 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -8.480 -15.800 -13.857 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -8.238 -16.668 -12.354 1.00 0.00 H new ATOM 1901 N PRO A 123 -10.800 -16.871 -12.591 1.00 0.00 N ATOM 1902 CA PRO A 123 -12.243 -16.983 -12.359 1.00 0.00 C ATOM 1903 C PRO A 123 -12.614 -16.759 -10.897 1.00 0.00 C ATOM 1904 O PRO A 123 -11.759 -16.822 -10.013 1.00 0.00 O ATOM 1905 CB PRO A 123 -12.559 -18.421 -12.777 1.00 0.00 C ATOM 1906 CG PRO A 123 -11.276 -19.158 -12.599 1.00 0.00 C ATOM 1907 CD PRO A 123 -10.185 -18.171 -12.911 1.00 0.00 C ATOM 0 HA PRO A 123 -12.805 -16.231 -12.913 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -13.350 -18.848 -12.160 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -12.902 -18.467 -13.811 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -11.181 -19.536 -11.581 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -11.225 -20.019 -13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -9.294 -18.353 -12.310 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -9.881 -18.225 -13.956 1.00 0.00 H new ATOM 1915 N SER A 124 -13.893 -16.498 -10.650 1.00 0.00 N ATOM 1916 CA SER A 124 -14.377 -16.261 -9.294 1.00 0.00 C ATOM 1917 C SER A 124 -15.590 -17.135 -8.990 1.00 0.00 C ATOM 1918 O SER A 124 -16.431 -17.372 -9.857 1.00 0.00 O ATOM 1919 CB SER A 124 -14.737 -14.786 -9.109 1.00 0.00 C ATOM 1920 OG SER A 124 -13.601 -13.957 -9.285 1.00 0.00 O ATOM 0 H SER A 124 -14.613 -16.445 -11.370 1.00 0.00 H new ATOM 0 HA SER A 124 -13.579 -16.522 -8.599 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.510 -14.505 -9.824 1.00 0.00 H new ATOM 0 HB3 SER A 124 -15.152 -14.632 -8.113 1.00 0.00 H new ATOM 0 HG SER A 124 -13.858 -13.019 -9.163 1.00 0.00 H new ATOM 1926 N SER A 125 -15.672 -17.611 -7.752 1.00 0.00 N ATOM 1927 CA SER A 125 -16.780 -18.462 -7.332 1.00 0.00 C ATOM 1928 C SER A 125 -17.115 -19.488 -8.410 1.00 0.00 C ATOM 1929 O SER A 125 -18.284 -19.749 -8.693 1.00 0.00 O ATOM 1930 CB SER A 125 -18.013 -17.612 -7.019 1.00 0.00 C ATOM 1931 OG SER A 125 -18.318 -16.740 -8.094 1.00 0.00 O ATOM 0 H SER A 125 -14.985 -17.422 -7.022 1.00 0.00 H new ATOM 0 HA SER A 125 -16.476 -18.994 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 125 -18.865 -18.262 -6.821 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.838 -17.031 -6.114 1.00 0.00 H new ATOM 0 HG SER A 125 -17.949 -17.105 -8.926 1.00 0.00 H new ATOM 1937 N GLY A 126 -16.079 -20.067 -9.010 1.00 0.00 N ATOM 1938 CA GLY A 126 -16.284 -21.058 -10.051 1.00 0.00 C ATOM 1939 C GLY A 126 -15.976 -20.518 -11.433 1.00 0.00 C ATOM 1940 O GLY A 126 -16.885 -20.258 -12.222 1.00 0.00 O ATOM 0 H GLY A 126 -15.102 -19.868 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.652 -21.924 -9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -17.317 -21.404 -10.021 1.00 0.00 H new TER 1944 GLY A 126