USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 17 SER OG : rot 137:sc= -1.07 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -172:sc= -2.5 (180deg=-1.85) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -126:sc= -4.7! (180deg=-10.9!) USER MOD Set 2.2: A 70 HIS : no HD1:sc= -2.6 X(o=-7.3,f=-7.6) USER MOD Set 3.1: A 20 CYS SG : rot -63:sc= 0.632 USER MOD Set 3.2: A 42 CYS SG : rot -137:sc= 1.55 USER MOD Set 3.3: A 43 CYS SG : rot -53:sc= 0.886 USER MOD Set 3.4: A 46 CYS SG : rot -33:sc= 0.166 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.0438) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0748 USER MOD Single : A 5 ASN : amide:sc= -2.14 K(o=-2.1,f=-5.1!) USER MOD Single : A 9 ASN : amide:sc= 0.193 K(o=0.19,f=-3.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.196) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -4.25! C(o=-6.8!,f=-4.3!) USER MOD Single : A 51 MET CE :methyl -120:sc= 0 (180deg=-0.00262) USER MOD Single : A 52 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : A 53 MET CE :methyl -162:sc= 0 (180deg=-0.0238) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -6.55! C(o=-8.1!,f=-6.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0792 X(o=-0.079,f=-0.0037) USER MOD Single : A 65 ASN : amide:sc= -3.09! C(o=-3.1!,f=-11!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.819 K(o=-0.82,f=-2.7!) USER MOD Single : A 80 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.1!) USER MOD Single : A 85 ASN : amide:sc= -4.37! C(o=-4.4!,f=-14!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.776 15.064 -7.326 1.00 0.00 N ATOM 2 CA MET A 1 5.663 15.580 -5.973 1.00 0.00 C ATOM 3 C MET A 1 5.610 14.439 -4.953 1.00 0.00 C ATOM 4 O MET A 1 6.646 13.918 -4.547 1.00 0.00 O ATOM 5 CB MET A 1 4.396 16.430 -5.853 1.00 0.00 C ATOM 6 CG MET A 1 4.559 17.762 -6.589 1.00 0.00 C ATOM 7 SD MET A 1 3.173 18.029 -7.681 1.00 0.00 S ATOM 8 CE MET A 1 3.667 19.570 -8.437 1.00 0.00 C ATOM 0 H1 MET A 1 6.063 15.831 -7.967 1.00 0.00 H new ATOM 0 H2 MET A 1 6.489 14.307 -7.351 1.00 0.00 H new ATOM 0 H3 MET A 1 4.857 14.684 -7.630 1.00 0.00 H new ATOM 0 HA MET A 1 6.542 16.190 -5.764 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.547 15.884 -6.265 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.176 16.616 -4.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.629 18.578 -5.870 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.487 17.760 -7.160 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.907 19.884 -9.153 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.778 20.334 -7.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.618 19.434 -8.953 1.00 0.00 H new ATOM 16 N SER A 2 4.392 14.087 -4.571 1.00 0.00 N ATOM 17 CA SER A 2 4.189 13.017 -3.608 1.00 0.00 C ATOM 18 C SER A 2 2.917 12.239 -3.950 1.00 0.00 C ATOM 19 O SER A 2 1.816 12.784 -3.886 1.00 0.00 O ATOM 20 CB SER A 2 4.108 13.569 -2.183 1.00 0.00 C ATOM 21 OG SER A 2 5.065 14.599 -1.954 1.00 0.00 O ATOM 0 H SER A 2 3.535 14.523 -4.911 1.00 0.00 H new ATOM 0 HA SER A 2 5.043 12.342 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.106 13.958 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.269 12.760 -1.471 1.00 0.00 H new ATOM 0 HG SER A 2 4.980 14.926 -1.034 1.00 0.00 H new ATOM 26 N GLU A 3 3.111 10.978 -4.304 1.00 0.00 N ATOM 27 CA GLU A 3 1.993 10.118 -4.656 1.00 0.00 C ATOM 28 C GLU A 3 2.215 8.708 -4.107 1.00 0.00 C ATOM 29 O GLU A 3 3.084 7.981 -4.586 1.00 0.00 O ATOM 30 CB GLU A 3 1.779 10.090 -6.170 1.00 0.00 C ATOM 31 CG GLU A 3 1.601 11.504 -6.726 1.00 0.00 C ATOM 32 CD GLU A 3 1.486 11.485 -8.251 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.356 10.406 -8.849 1.00 0.00 O ATOM 34 OE2 GLU A 3 1.534 12.643 -8.816 1.00 0.00 O ATOM 0 H GLU A 3 4.026 10.530 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 3 1.089 10.525 -4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.631 9.611 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.900 9.490 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.708 11.957 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.447 12.124 -6.430 1.00 0.00 H new ATOM 40 N VAL A 4 1.413 8.362 -3.110 1.00 0.00 N ATOM 41 CA VAL A 4 1.511 7.051 -2.491 1.00 0.00 C ATOM 42 C VAL A 4 0.170 6.327 -2.628 1.00 0.00 C ATOM 43 O VAL A 4 -0.852 6.807 -2.142 1.00 0.00 O ATOM 44 CB VAL A 4 1.969 7.191 -1.038 1.00 0.00 C ATOM 45 CG1 VAL A 4 1.100 8.202 -0.284 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.972 5.835 -0.330 1.00 0.00 C ATOM 0 H VAL A 4 0.693 8.967 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 4 2.262 6.444 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 4 2.992 7.567 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.447 8.283 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.172 9.176 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.063 7.868 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.302 5.964 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.965 5.417 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.651 5.157 -0.846 1.00 0.00 H new ATOM 56 N ASN A 5 0.219 5.181 -3.293 1.00 0.00 N ATOM 57 CA ASN A 5 -0.979 4.384 -3.499 1.00 0.00 C ATOM 58 C ASN A 5 -0.650 2.908 -3.271 1.00 0.00 C ATOM 59 O ASN A 5 0.409 2.433 -3.682 1.00 0.00 O ATOM 60 CB ASN A 5 -1.502 4.538 -4.929 1.00 0.00 C ATOM 61 CG ASN A 5 -0.491 5.279 -5.806 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.398 6.495 -5.801 1.00 0.00 O ATOM 63 ND2 ASN A 5 0.260 4.479 -6.559 1.00 0.00 N ATOM 0 H ASN A 5 1.069 4.786 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.739 4.729 -2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.705 3.555 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.447 5.082 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.965 4.877 -7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.131 3.468 -6.515 1.00 0.00 H new ATOM 69 N ILE A 6 -1.577 2.222 -2.619 1.00 0.00 N ATOM 70 CA ILE A 6 -1.398 0.809 -2.333 1.00 0.00 C ATOM 71 C ILE A 6 -2.751 0.099 -2.428 1.00 0.00 C ATOM 72 O ILE A 6 -3.693 0.454 -1.722 1.00 0.00 O ATOM 73 CB ILE A 6 -0.698 0.619 -0.986 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.487 -0.341 -1.114 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.689 0.165 0.088 1.00 0.00 C ATOM 76 CD1 ILE A 6 0.008 -1.787 -1.250 1.00 0.00 C ATOM 0 H ILE A 6 -2.454 2.618 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.743 0.350 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.299 1.583 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.087 -0.070 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.131 -0.248 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.166 0.037 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.470 0.916 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.138 -0.783 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.869 -2.449 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.572 -2.063 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.616 -1.882 -2.139 1.00 0.00 H new ATOM 87 N VAL A 7 -2.803 -0.892 -3.307 1.00 0.00 N ATOM 88 CA VAL A 7 -4.023 -1.655 -3.503 1.00 0.00 C ATOM 89 C VAL A 7 -3.750 -3.131 -3.213 1.00 0.00 C ATOM 90 O VAL A 7 -2.833 -3.720 -3.785 1.00 0.00 O ATOM 91 CB VAL A 7 -4.571 -1.413 -4.911 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.582 -1.897 -5.974 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.937 -2.077 -5.090 1.00 0.00 C ATOM 0 H VAL A 7 -2.019 -1.183 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.795 -1.326 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.702 -0.339 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.995 -1.714 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.641 -1.358 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.405 -2.965 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.303 -1.889 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.843 -3.151 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.640 -1.664 -4.366 1.00 0.00 H new ATOM 103 N VAL A 8 -4.561 -3.689 -2.325 1.00 0.00 N ATOM 104 CA VAL A 8 -4.417 -5.085 -1.953 1.00 0.00 C ATOM 105 C VAL A 8 -5.779 -5.776 -2.049 1.00 0.00 C ATOM 106 O VAL A 8 -6.688 -5.475 -1.278 1.00 0.00 O ATOM 107 CB VAL A 8 -3.788 -5.194 -0.563 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.241 -6.602 -0.317 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.695 -4.140 -0.372 1.00 0.00 C ATOM 0 H VAL A 8 -5.320 -3.198 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.743 -5.596 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.569 -5.005 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.799 -6.652 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.053 -7.326 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.481 -6.832 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.264 -4.239 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.916 -4.284 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.126 -3.145 -0.484 1.00 0.00 H new ATOM 119 N ASN A 9 -5.875 -6.692 -3.002 1.00 0.00 N ATOM 120 CA ASN A 9 -7.110 -7.430 -3.209 1.00 0.00 C ATOM 121 C ASN A 9 -6.862 -8.917 -2.949 1.00 0.00 C ATOM 122 O ASN A 9 -6.174 -9.579 -3.724 1.00 0.00 O ATOM 123 CB ASN A 9 -7.608 -7.278 -4.647 1.00 0.00 C ATOM 124 CG ASN A 9 -8.794 -6.314 -4.719 1.00 0.00 C ATOM 125 OD1 ASN A 9 -8.727 -5.247 -5.306 1.00 0.00 O ATOM 126 ND2 ASN A 9 -9.882 -6.748 -4.089 1.00 0.00 N ATOM 0 H ASN A 9 -5.118 -6.940 -3.639 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.859 -7.032 -2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.799 -6.912 -5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.902 -8.252 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.727 -6.177 -4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.871 -7.652 -3.617 1.00 0.00 H new ATOM 132 N GLY A 10 -7.434 -9.398 -1.855 1.00 0.00 N ATOM 133 CA GLY A 10 -7.283 -10.794 -1.484 1.00 0.00 C ATOM 134 C GLY A 10 -5.957 -11.028 -0.758 1.00 0.00 C ATOM 135 O GLY A 10 -5.169 -11.884 -1.156 1.00 0.00 O ATOM 0 H GLY A 10 -8.003 -8.845 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.111 -11.095 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.328 -11.418 -2.376 1.00 0.00 H new ATOM 139 N ARG A 11 -5.751 -10.251 0.296 1.00 0.00 N ATOM 140 CA ARG A 11 -4.534 -10.362 1.082 1.00 0.00 C ATOM 141 C ARG A 11 -3.373 -10.824 0.199 1.00 0.00 C ATOM 142 O ARG A 11 -2.636 -11.739 0.565 1.00 0.00 O ATOM 143 CB ARG A 11 -4.712 -11.350 2.236 1.00 0.00 C ATOM 144 CG ARG A 11 -4.783 -12.789 1.721 1.00 0.00 C ATOM 145 CD ARG A 11 -5.743 -13.628 2.567 1.00 0.00 C ATOM 146 NE ARG A 11 -5.088 -14.893 2.970 1.00 0.00 N ATOM 147 CZ ARG A 11 -5.564 -15.720 3.925 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.705 -15.423 4.583 1.00 0.00 N ATOM 149 NH2 ARG A 11 -4.896 -16.825 4.205 1.00 0.00 N ATOM 0 H ARG A 11 -6.407 -9.542 0.624 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.313 -9.377 1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.882 -11.251 2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.622 -11.112 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.112 -12.791 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.789 -13.236 1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.046 -13.068 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.649 -13.842 2.000 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.224 -15.156 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.215 -14.568 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.057 -16.054 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.035 -17.042 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.241 -17.461 4.924 1.00 0.00 H new ATOM 159 N GLU A 12 -3.246 -10.171 -0.947 1.00 0.00 N ATOM 160 CA GLU A 12 -2.186 -10.503 -1.884 1.00 0.00 C ATOM 161 C GLU A 12 -0.966 -9.614 -1.643 1.00 0.00 C ATOM 162 O GLU A 12 -1.089 -8.394 -1.557 1.00 0.00 O ATOM 163 CB GLU A 12 -2.675 -10.383 -3.329 1.00 0.00 C ATOM 164 CG GLU A 12 -1.543 -10.668 -4.317 1.00 0.00 C ATOM 165 CD GLU A 12 -1.590 -12.118 -4.803 1.00 0.00 C ATOM 166 OE1 GLU A 12 -2.584 -12.819 -4.563 1.00 0.00 O ATOM 167 OE2 GLU A 12 -0.547 -12.509 -5.453 1.00 0.00 O ATOM 0 H GLU A 12 -3.860 -9.414 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.893 -11.540 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.495 -11.081 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.069 -9.381 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.621 -9.993 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.582 -10.471 -3.841 1.00 0.00 H new ATOM 173 N ALA A 13 0.186 -10.261 -1.541 1.00 0.00 N ATOM 174 CA ALA A 13 1.429 -9.544 -1.311 1.00 0.00 C ATOM 175 C ALA A 13 2.537 -10.167 -2.164 1.00 0.00 C ATOM 176 O ALA A 13 2.398 -11.290 -2.644 1.00 0.00 O ATOM 177 CB ALA A 13 1.762 -9.565 0.181 1.00 0.00 C ATOM 0 H ALA A 13 0.285 -11.274 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 13 1.330 -8.500 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.694 -9.027 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.958 -9.086 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.871 -10.597 0.515 1.00 0.00 H new ATOM 183 N GLY A 14 3.612 -9.408 -2.325 1.00 0.00 N ATOM 184 CA GLY A 14 4.743 -9.872 -3.111 1.00 0.00 C ATOM 185 C GLY A 14 5.975 -9.000 -2.865 1.00 0.00 C ATOM 186 O GLY A 14 6.680 -8.634 -3.804 1.00 0.00 O ATOM 0 H GLY A 14 3.723 -8.476 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.969 -10.907 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.486 -9.855 -4.170 1.00 0.00 H new ATOM 190 N SER A 15 6.199 -8.691 -1.595 1.00 0.00 N ATOM 191 CA SER A 15 7.334 -7.869 -1.214 1.00 0.00 C ATOM 192 C SER A 15 7.743 -8.179 0.227 1.00 0.00 C ATOM 193 O SER A 15 7.108 -8.993 0.896 1.00 0.00 O ATOM 194 CB SER A 15 7.012 -6.380 -1.366 1.00 0.00 C ATOM 195 OG SER A 15 8.142 -5.633 -1.807 1.00 0.00 O ATOM 0 H SER A 15 5.613 -8.996 -0.818 1.00 0.00 H new ATOM 0 HA SER A 15 8.165 -8.103 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.195 -6.256 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.666 -5.984 -0.411 1.00 0.00 H new ATOM 0 HG SER A 15 7.896 -4.688 -1.894 1.00 0.00 H new ATOM 200 N LYS A 16 8.803 -7.514 0.664 1.00 0.00 N ATOM 201 CA LYS A 16 9.305 -7.708 2.013 1.00 0.00 C ATOM 202 C LYS A 16 8.409 -6.957 3.000 1.00 0.00 C ATOM 203 O LYS A 16 8.609 -7.037 4.211 1.00 0.00 O ATOM 204 CB LYS A 16 10.781 -7.313 2.099 1.00 0.00 C ATOM 205 CG LYS A 16 11.622 -8.454 2.675 1.00 0.00 C ATOM 206 CD LYS A 16 11.675 -9.639 1.708 1.00 0.00 C ATOM 207 CE LYS A 16 12.442 -9.274 0.436 1.00 0.00 C ATOM 208 NZ LYS A 16 12.865 -10.496 -0.283 1.00 0.00 N ATOM 0 H LYS A 16 9.328 -6.840 0.107 1.00 0.00 H new ATOM 0 HA LYS A 16 9.265 -8.763 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.149 -7.050 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.888 -6.426 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.633 -8.099 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.201 -8.776 3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.154 -10.489 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.662 -9.948 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.814 -8.663 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.316 -8.674 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.384 -10.230 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.482 -11.064 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.027 -11.054 -0.543 1.00 0.00 H new ATOM 217 N SER A 17 7.441 -6.242 2.444 1.00 0.00 N ATOM 218 CA SER A 17 6.514 -5.476 3.260 1.00 0.00 C ATOM 219 C SER A 17 5.858 -6.386 4.300 1.00 0.00 C ATOM 220 O SER A 17 5.564 -5.951 5.413 1.00 0.00 O ATOM 221 CB SER A 17 5.446 -4.804 2.395 1.00 0.00 C ATOM 222 OG SER A 17 4.903 -5.697 1.426 1.00 0.00 O ATOM 0 H SER A 17 7.279 -6.177 1.439 1.00 0.00 H new ATOM 0 HA SER A 17 7.074 -4.694 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.645 -4.431 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.879 -3.941 1.890 1.00 0.00 H new ATOM 0 HG SER A 17 3.930 -5.588 1.390 1.00 0.00 H new ATOM 227 N LYS A 18 5.649 -7.633 3.903 1.00 0.00 N ATOM 228 CA LYS A 18 5.033 -8.607 4.787 1.00 0.00 C ATOM 229 C LYS A 18 5.759 -8.597 6.134 1.00 0.00 C ATOM 230 O LYS A 18 5.166 -8.905 7.166 1.00 0.00 O ATOM 231 CB LYS A 18 4.990 -9.984 4.121 1.00 0.00 C ATOM 232 CG LYS A 18 4.177 -9.941 2.826 1.00 0.00 C ATOM 233 CD LYS A 18 2.851 -10.686 2.985 1.00 0.00 C ATOM 234 CE LYS A 18 2.932 -12.088 2.378 1.00 0.00 C ATOM 235 NZ LYS A 18 2.111 -13.039 3.158 1.00 0.00 N ATOM 0 H LYS A 18 5.896 -7.991 2.980 1.00 0.00 H new ATOM 0 HA LYS A 18 3.994 -8.341 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.004 -10.320 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.552 -10.710 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.985 -8.905 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.754 -10.387 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.595 -10.758 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.053 -10.122 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.587 -12.064 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.969 -12.423 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.025 -13.934 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.565 -13.217 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.165 -12.636 3.312 1.00 0.00 H new ATOM 244 N GLY A 19 7.036 -8.242 6.079 1.00 0.00 N ATOM 245 CA GLY A 19 7.849 -8.188 7.281 1.00 0.00 C ATOM 246 C GLY A 19 7.492 -6.969 8.132 1.00 0.00 C ATOM 247 O GLY A 19 6.478 -6.970 8.830 1.00 0.00 O ATOM 0 H GLY A 19 7.526 -7.989 5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.703 -9.098 7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.904 -8.149 7.009 1.00 0.00 H new ATOM 251 N CYS A 20 8.342 -5.957 8.047 1.00 0.00 N ATOM 252 CA CYS A 20 8.128 -4.733 8.800 1.00 0.00 C ATOM 253 C CYS A 20 8.382 -3.545 7.870 1.00 0.00 C ATOM 254 O CYS A 20 8.892 -3.716 6.763 1.00 0.00 O ATOM 255 CB CYS A 20 9.009 -4.677 10.051 1.00 0.00 C ATOM 256 SG CYS A 20 8.995 -6.298 10.899 1.00 0.00 S ATOM 0 H CYS A 20 9.181 -5.959 7.467 1.00 0.00 H new ATOM 0 HA CYS A 20 7.099 -4.699 9.158 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.029 -4.410 9.776 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.648 -3.901 10.726 1.00 0.00 H new ATOM 0 HG CYS A 20 7.789 -6.565 11.304 1.00 0.00 H new ATOM 261 N ALA A 21 8.015 -2.367 8.353 1.00 0.00 N ATOM 262 CA ALA A 21 8.196 -1.151 7.578 1.00 0.00 C ATOM 263 C ALA A 21 9.692 -0.890 7.390 1.00 0.00 C ATOM 264 O ALA A 21 10.136 -0.570 6.289 1.00 0.00 O ATOM 265 CB ALA A 21 7.486 0.010 8.276 1.00 0.00 C ATOM 0 H ALA A 21 7.593 -2.229 9.271 1.00 0.00 H new ATOM 0 HA ALA A 21 7.752 -1.257 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.622 0.922 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.422 -0.212 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.907 0.148 9.272 1.00 0.00 H new ATOM 271 N LEU A 22 10.428 -1.036 8.482 1.00 0.00 N ATOM 272 CA LEU A 22 11.865 -0.821 8.451 1.00 0.00 C ATOM 273 C LEU A 22 12.575 -2.165 8.287 1.00 0.00 C ATOM 274 O LEU A 22 13.489 -2.294 7.475 1.00 0.00 O ATOM 275 CB LEU A 22 12.315 -0.034 9.684 1.00 0.00 C ATOM 276 CG LEU A 22 13.817 0.236 9.795 1.00 0.00 C ATOM 277 CD1 LEU A 22 14.571 -1.029 10.207 1.00 0.00 C ATOM 278 CD2 LEU A 22 14.365 0.833 8.498 1.00 0.00 C ATOM 0 H LEU A 22 10.056 -1.301 9.394 1.00 0.00 H new ATOM 0 HA LEU A 22 12.140 -0.209 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.792 0.923 9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.997 -0.577 10.574 1.00 0.00 H new ATOM 0 HG LEU A 22 13.974 0.976 10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.636 -0.810 10.279 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.205 -1.372 11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.410 -1.808 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.434 1.015 8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.195 0.137 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.856 1.774 8.287 1.00 0.00 H new ATOM 289 N CYS A 23 12.126 -3.135 9.071 1.00 0.00 N ATOM 290 CA CYS A 23 12.707 -4.466 9.022 1.00 0.00 C ATOM 291 C CYS A 23 11.938 -5.289 7.988 1.00 0.00 C ATOM 292 O CYS A 23 10.972 -4.806 7.399 1.00 0.00 O ATOM 293 CB CYS A 23 12.705 -5.134 10.399 1.00 0.00 C ATOM 294 SG CYS A 23 14.407 -5.192 11.069 1.00 0.00 S ATOM 0 H CYS A 23 11.367 -3.025 9.743 1.00 0.00 H new ATOM 0 HA CYS A 23 13.753 -4.398 8.724 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.056 -4.582 11.079 1.00 0.00 H new ATOM 0 HB3 CYS A 23 12.301 -6.143 10.322 1.00 0.00 H new ATOM 0 HG CYS A 23 14.394 -5.759 12.239 1.00 0.00 H new ATOM 299 N GLY A 24 12.396 -6.517 7.797 1.00 0.00 N ATOM 300 CA GLY A 24 11.763 -7.412 6.842 1.00 0.00 C ATOM 301 C GLY A 24 12.227 -8.854 7.053 1.00 0.00 C ATOM 302 O GLY A 24 12.718 -9.494 6.125 1.00 0.00 O ATOM 0 H GLY A 24 13.198 -6.914 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.680 -7.355 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.001 -7.094 5.827 1.00 0.00 H new ATOM 306 N ALA A 25 12.053 -9.325 8.279 1.00 0.00 N ATOM 307 CA ALA A 25 12.448 -10.681 8.623 1.00 0.00 C ATOM 308 C ALA A 25 11.195 -11.527 8.860 1.00 0.00 C ATOM 309 O ALA A 25 11.272 -12.753 8.920 1.00 0.00 O ATOM 310 CB ALA A 25 13.370 -10.650 9.843 1.00 0.00 C ATOM 0 H ALA A 25 11.644 -8.792 9.047 1.00 0.00 H new ATOM 0 HA ALA A 25 13.005 -11.138 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.666 -11.667 10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.258 -10.061 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.844 -10.201 10.685 1.00 0.00 H new ATOM 316 N THR A 26 10.070 -10.838 8.988 1.00 0.00 N ATOM 317 CA THR A 26 8.804 -11.511 9.218 1.00 0.00 C ATOM 318 C THR A 26 7.989 -11.573 7.924 1.00 0.00 C ATOM 319 O THR A 26 8.375 -10.982 6.915 1.00 0.00 O ATOM 320 CB THR A 26 8.082 -10.786 10.355 1.00 0.00 C ATOM 321 OG1 THR A 26 9.085 -10.619 11.353 1.00 0.00 O ATOM 322 CG2 THR A 26 7.025 -11.662 11.032 1.00 0.00 C ATOM 0 H THR A 26 10.010 -9.821 8.937 1.00 0.00 H new ATOM 0 HA THR A 26 8.957 -12.547 9.519 1.00 0.00 H new ATOM 0 HB THR A 26 7.610 -9.883 9.967 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.703 -10.155 12.127 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.543 -11.099 11.831 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.277 -11.963 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.501 -12.549 11.449 1.00 0.00 H new ATOM 330 N TRP A 27 6.880 -12.294 7.993 1.00 0.00 N ATOM 331 CA TRP A 27 6.009 -12.440 6.839 1.00 0.00 C ATOM 332 C TRP A 27 4.691 -13.053 7.317 1.00 0.00 C ATOM 333 O TRP A 27 4.689 -13.958 8.150 1.00 0.00 O ATOM 334 CB TRP A 27 6.688 -13.260 5.741 1.00 0.00 C ATOM 335 CG TRP A 27 8.108 -13.712 6.089 1.00 0.00 C ATOM 336 CD1 TRP A 27 9.249 -13.404 5.459 1.00 0.00 C ATOM 337 CD2 TRP A 27 8.493 -14.572 7.182 1.00 0.00 C ATOM 338 NE1 TRP A 27 10.337 -13.999 6.063 1.00 0.00 N ATOM 339 CE2 TRP A 27 9.863 -14.732 7.145 1.00 0.00 C ATOM 340 CE3 TRP A 27 7.709 -15.193 8.170 1.00 0.00 C ATOM 341 CZ2 TRP A 27 10.570 -15.511 8.069 1.00 0.00 C ATOM 342 CZ3 TRP A 27 8.431 -15.968 9.087 1.00 0.00 C ATOM 343 CH2 TRP A 27 9.810 -16.140 9.063 1.00 0.00 C ATOM 0 H TRP A 27 6.564 -12.784 8.830 1.00 0.00 H new ATOM 0 HA TRP A 27 5.798 -11.470 6.388 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.079 -14.139 5.530 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.720 -12.667 4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.310 -12.769 4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 27 11.310 -13.916 5.770 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.636 -15.082 8.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 11.643 -15.621 8.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.877 -16.467 9.868 1.00 0.00 H new ATOM 0 HH2 TRP A 27 10.293 -16.756 9.807 1.00 0.00 H new ATOM 353 N GLY A 28 3.602 -12.537 6.767 1.00 0.00 N ATOM 354 CA GLY A 28 2.280 -13.022 7.126 1.00 0.00 C ATOM 355 C GLY A 28 1.204 -12.382 6.248 1.00 0.00 C ATOM 356 O GLY A 28 1.341 -11.234 5.828 1.00 0.00 O ATOM 0 H GLY A 28 3.608 -11.788 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.245 -14.106 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.079 -12.799 8.174 1.00 0.00 H new ATOM 360 N ASP A 29 0.156 -13.153 5.996 1.00 0.00 N ATOM 361 CA ASP A 29 -0.944 -12.675 5.175 1.00 0.00 C ATOM 362 C ASP A 29 -2.136 -12.338 6.073 1.00 0.00 C ATOM 363 O ASP A 29 -2.824 -11.344 5.848 1.00 0.00 O ATOM 364 CB ASP A 29 -1.392 -13.746 4.177 1.00 0.00 C ATOM 365 CG ASP A 29 -1.126 -15.188 4.613 1.00 0.00 C ATOM 366 OD1 ASP A 29 -0.485 -15.965 3.890 1.00 0.00 O ATOM 367 OD2 ASP A 29 -1.612 -15.508 5.764 1.00 0.00 O ATOM 0 H ASP A 29 0.045 -14.105 6.346 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.601 -11.795 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.460 -13.628 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.887 -13.570 3.227 1.00 0.00 H new ATOM 372 N TYR A 30 -2.343 -13.184 7.071 1.00 0.00 N ATOM 373 CA TYR A 30 -3.439 -12.989 8.004 1.00 0.00 C ATOM 374 C TYR A 30 -3.434 -11.565 8.565 1.00 0.00 C ATOM 375 O TYR A 30 -4.454 -11.083 9.055 1.00 0.00 O ATOM 376 CB TYR A 30 -3.202 -13.976 9.148 1.00 0.00 C ATOM 377 CG TYR A 30 -4.446 -14.769 9.553 1.00 0.00 C ATOM 378 CD1 TYR A 30 -5.228 -15.367 8.587 1.00 0.00 C ATOM 379 CD2 TYR A 30 -4.784 -14.887 10.885 1.00 0.00 C ATOM 380 CE1 TYR A 30 -6.399 -16.114 8.968 1.00 0.00 C ATOM 381 CE2 TYR A 30 -5.955 -15.633 11.268 1.00 0.00 C ATOM 382 CZ TYR A 30 -6.704 -16.210 10.290 1.00 0.00 C ATOM 383 OH TYR A 30 -7.810 -16.915 10.650 1.00 0.00 O ATOM 0 H TYR A 30 -1.769 -14.007 7.254 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.397 -13.147 7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.418 -14.674 8.855 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.834 -13.429 10.016 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.962 -15.275 7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.170 -14.420 11.641 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.020 -16.587 8.222 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.232 -15.732 12.307 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.904 -16.900 11.625 1.00 0.00 H new ATOM 392 N HIS A 31 -2.273 -10.932 8.476 1.00 0.00 N ATOM 393 CA HIS A 31 -2.121 -9.574 8.969 1.00 0.00 C ATOM 394 C HIS A 31 -2.367 -8.584 7.828 1.00 0.00 C ATOM 395 O HIS A 31 -2.446 -8.977 6.666 1.00 0.00 O ATOM 396 CB HIS A 31 -0.755 -9.387 9.632 1.00 0.00 C ATOM 397 CG HIS A 31 -0.133 -10.669 10.130 1.00 0.00 C ATOM 398 ND1 HIS A 31 -0.626 -11.638 10.953 1.00 0.00 N flip ATOM 399 CD2 HIS A 31 1.146 -11.067 9.780 1.00 0.00 C flip ATOM 400 CE1 HIS A 31 0.300 -12.577 11.098 1.00 0.00 C flip ATOM 401 NE2 HIS A 31 1.400 -12.225 10.372 1.00 0.00 N flip ATOM 0 H HIS A 31 -1.429 -11.335 8.070 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.865 -9.378 9.741 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.077 -8.920 8.918 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.861 -8.697 10.469 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.822 -10.526 9.134 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.199 -13.473 11.693 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.266 -12.759 10.298 1.00 0.00 H new ATOM 408 N ALA A 32 -2.481 -7.318 8.201 1.00 0.00 N ATOM 409 CA ALA A 32 -2.716 -6.268 7.225 1.00 0.00 C ATOM 410 C ALA A 32 -1.558 -5.270 7.267 1.00 0.00 C ATOM 411 O ALA A 32 -0.912 -5.106 8.300 1.00 0.00 O ATOM 412 CB ALA A 32 -4.067 -5.605 7.503 1.00 0.00 C ATOM 0 H ALA A 32 -2.415 -6.996 9.166 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.757 -6.683 6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.243 -4.817 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.859 -6.350 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.062 -5.175 8.505 1.00 0.00 H new ATOM 418 N ASP A 33 -1.330 -4.628 6.129 1.00 0.00 N ATOM 419 CA ASP A 33 -0.261 -3.650 6.023 1.00 0.00 C ATOM 420 C ASP A 33 -0.862 -2.274 5.733 1.00 0.00 C ATOM 421 O ASP A 33 -2.070 -2.147 5.538 1.00 0.00 O ATOM 422 CB ASP A 33 0.694 -4.000 4.878 1.00 0.00 C ATOM 423 CG ASP A 33 0.012 -4.395 3.566 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.164 -4.788 3.550 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.750 -4.285 2.514 1.00 0.00 O ATOM 0 H ASP A 33 -1.868 -4.767 5.273 1.00 0.00 H new ATOM 0 HA ASP A 33 0.289 -3.648 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.342 -3.144 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.336 -4.821 5.198 1.00 0.00 H new ATOM 430 N PHE A 34 0.009 -1.276 5.712 1.00 0.00 N ATOM 431 CA PHE A 34 -0.420 0.088 5.450 1.00 0.00 C ATOM 432 C PHE A 34 0.039 0.550 4.066 1.00 0.00 C ATOM 433 O PHE A 34 0.692 -0.200 3.341 1.00 0.00 O ATOM 434 CB PHE A 34 0.232 0.974 6.513 1.00 0.00 C ATOM 435 CG PHE A 34 -0.556 1.057 7.821 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.017 -0.078 8.412 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.795 2.267 8.395 1.00 0.00 C ATOM 438 CE1 PHE A 34 -1.748 0.000 9.627 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.527 2.345 9.610 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.988 1.209 10.200 1.00 0.00 C ATOM 0 H PHE A 34 1.010 -1.384 5.872 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.508 0.149 5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.231 0.593 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.353 1.979 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.827 -1.039 7.957 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.428 3.169 7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.113 -0.902 10.096 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.717 3.306 10.065 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.545 1.268 11.124 1.00 0.00 H new ATOM 449 N LEU A 35 -0.319 1.783 3.740 1.00 0.00 N ATOM 450 CA LEU A 35 0.048 2.354 2.455 1.00 0.00 C ATOM 451 C LEU A 35 1.559 2.222 2.256 1.00 0.00 C ATOM 452 O LEU A 35 2.037 2.165 1.124 1.00 0.00 O ATOM 453 CB LEU A 35 -0.464 3.792 2.342 1.00 0.00 C ATOM 454 CG LEU A 35 -1.978 3.976 2.457 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.394 5.387 2.036 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.723 2.899 1.664 1.00 0.00 C ATOM 0 H LEU A 35 -0.859 2.403 4.343 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.430 1.805 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.015 4.389 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.141 4.197 1.383 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.257 3.857 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.475 5.490 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.904 6.118 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.099 5.560 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.798 3.053 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.442 2.962 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.460 1.915 2.052 1.00 0.00 H new ATOM 467 N GLY A 36 2.269 2.178 3.373 1.00 0.00 N ATOM 468 CA GLY A 36 3.716 2.053 3.337 1.00 0.00 C ATOM 469 C GLY A 36 4.138 0.586 3.233 1.00 0.00 C ATOM 470 O GLY A 36 5.241 0.224 3.640 1.00 0.00 O ATOM 0 H GLY A 36 1.869 2.227 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.112 2.610 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.145 2.496 4.236 1.00 0.00 H new ATOM 474 N GLU A 37 3.238 -0.218 2.686 1.00 0.00 N ATOM 475 CA GLU A 37 3.504 -1.638 2.524 1.00 0.00 C ATOM 476 C GLU A 37 4.424 -2.136 3.641 1.00 0.00 C ATOM 477 O GLU A 37 5.603 -2.398 3.408 1.00 0.00 O ATOM 478 CB GLU A 37 4.103 -1.930 1.148 1.00 0.00 C ATOM 479 CG GLU A 37 5.370 -1.104 0.915 1.00 0.00 C ATOM 480 CD GLU A 37 6.368 -1.865 0.041 1.00 0.00 C ATOM 481 OE1 GLU A 37 6.101 -3.011 -0.351 1.00 0.00 O ATOM 482 OE2 GLU A 37 7.455 -1.225 -0.229 1.00 0.00 O ATOM 0 H GLU A 37 2.324 0.086 2.350 1.00 0.00 H new ATOM 0 HA GLU A 37 2.558 -2.176 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.337 -2.992 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.370 -1.705 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.110 -0.159 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.831 -0.861 1.872 1.00 0.00 H new ATOM 488 N ASP A 38 3.850 -2.253 4.829 1.00 0.00 N ATOM 489 CA ASP A 38 4.603 -2.715 5.982 1.00 0.00 C ATOM 490 C ASP A 38 3.662 -3.446 6.942 1.00 0.00 C ATOM 491 O ASP A 38 2.493 -3.084 7.066 1.00 0.00 O ATOM 492 CB ASP A 38 5.230 -1.541 6.738 1.00 0.00 C ATOM 493 CG ASP A 38 4.231 -0.588 7.395 1.00 0.00 C ATOM 494 OD1 ASP A 38 3.497 -0.970 8.318 1.00 0.00 O ATOM 495 OD2 ASP A 38 4.225 0.610 6.915 1.00 0.00 O ATOM 0 H ASP A 38 2.872 -2.036 5.018 1.00 0.00 H new ATOM 0 HA ASP A 38 5.392 -3.377 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.892 -1.936 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.850 -0.972 6.045 1.00 0.00 H new ATOM 500 N LEU A 39 4.208 -4.461 7.596 1.00 0.00 N ATOM 501 CA LEU A 39 3.431 -5.247 8.541 1.00 0.00 C ATOM 502 C LEU A 39 3.982 -5.030 9.951 1.00 0.00 C ATOM 503 O LEU A 39 5.147 -5.322 10.218 1.00 0.00 O ATOM 504 CB LEU A 39 3.393 -6.715 8.114 1.00 0.00 C ATOM 505 CG LEU A 39 2.443 -7.618 8.902 1.00 0.00 C ATOM 506 CD1 LEU A 39 3.148 -8.233 10.113 1.00 0.00 C ATOM 507 CD2 LEU A 39 1.174 -6.863 9.300 1.00 0.00 C ATOM 0 H LEU A 39 5.178 -4.757 7.491 1.00 0.00 H new ATOM 0 HA LEU A 39 2.393 -4.916 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.115 -6.759 7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.401 -7.123 8.195 1.00 0.00 H new ATOM 0 HG LEU A 39 2.139 -8.441 8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.450 -8.870 10.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.997 -8.829 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.500 -7.439 10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.515 -7.528 9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.439 -6.008 9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.662 -6.515 8.403 1.00 0.00 H new ATOM 518 N PHE A 40 3.120 -4.520 10.818 1.00 0.00 N ATOM 519 CA PHE A 40 3.506 -4.261 12.195 1.00 0.00 C ATOM 520 C PHE A 40 2.910 -5.307 13.137 1.00 0.00 C ATOM 521 O PHE A 40 3.238 -5.341 14.322 1.00 0.00 O ATOM 522 CB PHE A 40 2.950 -2.883 12.563 1.00 0.00 C ATOM 523 CG PHE A 40 1.426 -2.842 12.691 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.653 -2.731 11.578 1.00 0.00 C ATOM 525 CD2 PHE A 40 0.845 -2.914 13.919 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.761 -2.692 11.696 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.570 -2.875 14.038 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.343 -2.765 12.924 1.00 0.00 C ATOM 0 H PHE A 40 2.155 -4.279 10.594 1.00 0.00 H new ATOM 0 HA PHE A 40 4.591 -4.301 12.292 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.393 -2.564 13.507 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.260 -2.163 11.806 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.115 -2.672 10.604 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.459 -3.001 14.803 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.375 -2.604 10.812 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.032 -2.933 15.013 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.419 -2.736 13.014 1.00 0.00 H new ATOM 537 N PHE A 41 2.043 -6.137 12.576 1.00 0.00 N ATOM 538 CA PHE A 41 1.397 -7.182 13.352 1.00 0.00 C ATOM 539 C PHE A 41 2.413 -8.229 13.814 1.00 0.00 C ATOM 540 O PHE A 41 2.078 -9.127 14.586 1.00 0.00 O ATOM 541 CB PHE A 41 0.374 -7.854 12.434 1.00 0.00 C ATOM 542 CG PHE A 41 -0.623 -8.754 13.166 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.791 -8.236 13.635 1.00 0.00 C ATOM 544 CD2 PHE A 41 -0.344 -10.072 13.348 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.716 -9.071 14.315 1.00 0.00 C ATOM 546 CE2 PHE A 41 -1.269 -10.908 14.028 1.00 0.00 C ATOM 547 CZ PHE A 41 -2.436 -10.390 14.497 1.00 0.00 C ATOM 0 H PHE A 41 1.773 -6.107 11.593 1.00 0.00 H new ATOM 0 HA PHE A 41 0.929 -6.752 14.237 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.176 -7.083 11.895 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.904 -8.447 11.689 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.014 -7.189 13.490 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.582 -10.484 12.975 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.642 -8.659 14.688 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.046 -11.955 14.173 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.140 -11.025 15.014 1.00 0.00 H new ATOM 556 N CYS A 42 3.635 -8.079 13.323 1.00 0.00 N ATOM 557 CA CYS A 42 4.701 -8.999 13.678 1.00 0.00 C ATOM 558 C CYS A 42 5.288 -8.562 15.021 1.00 0.00 C ATOM 559 O CYS A 42 5.270 -9.323 15.987 1.00 0.00 O ATOM 560 CB CYS A 42 5.771 -9.072 12.585 1.00 0.00 C ATOM 561 SG CYS A 42 6.159 -7.391 11.976 1.00 0.00 S ATOM 0 H CYS A 42 3.910 -7.334 12.683 1.00 0.00 H new ATOM 0 HA CYS A 42 4.298 -10.007 13.771 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.672 -9.542 12.978 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.420 -9.694 11.762 1.00 0.00 H new ATOM 0 HG CYS A 42 6.253 -7.410 10.680 1.00 0.00 H new ATOM 566 N CYS A 43 5.793 -7.338 15.040 1.00 0.00 N ATOM 567 CA CYS A 43 6.384 -6.790 16.249 1.00 0.00 C ATOM 568 C CYS A 43 5.463 -5.687 16.776 1.00 0.00 C ATOM 569 O CYS A 43 5.060 -5.713 17.938 1.00 0.00 O ATOM 570 CB CYS A 43 7.805 -6.278 16.004 1.00 0.00 C ATOM 571 SG CYS A 43 7.868 -5.336 14.436 1.00 0.00 S ATOM 0 H CYS A 43 5.805 -6.709 14.237 1.00 0.00 H new ATOM 0 HA CYS A 43 6.476 -7.575 16.999 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.120 -5.643 16.832 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.501 -7.116 15.963 1.00 0.00 H new ATOM 0 HG CYS A 43 7.368 -6.057 13.476 1.00 0.00 H new ATOM 576 N ASP A 44 5.158 -4.745 15.897 1.00 0.00 N ATOM 577 CA ASP A 44 4.293 -3.636 16.260 1.00 0.00 C ATOM 578 C ASP A 44 5.052 -2.683 17.186 1.00 0.00 C ATOM 579 O ASP A 44 4.449 -1.829 17.834 1.00 0.00 O ATOM 580 CB ASP A 44 3.049 -4.127 17.003 1.00 0.00 C ATOM 581 CG ASP A 44 3.006 -3.778 18.491 1.00 0.00 C ATOM 582 OD1 ASP A 44 3.637 -4.447 19.324 1.00 0.00 O ATOM 583 OD2 ASP A 44 2.275 -2.757 18.792 1.00 0.00 O ATOM 0 H ASP A 44 5.494 -4.727 14.934 1.00 0.00 H new ATOM 0 HA ASP A 44 3.989 -3.132 15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.167 -3.706 16.521 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.985 -5.210 16.897 1.00 0.00 H new ATOM 588 N ILE A 45 6.364 -2.863 17.219 1.00 0.00 N ATOM 589 CA ILE A 45 7.212 -2.030 18.055 1.00 0.00 C ATOM 590 C ILE A 45 7.941 -1.009 17.178 1.00 0.00 C ATOM 591 O ILE A 45 7.742 0.196 17.327 1.00 0.00 O ATOM 592 CB ILE A 45 8.149 -2.897 18.898 1.00 0.00 C ATOM 593 CG1 ILE A 45 7.390 -3.570 20.044 1.00 0.00 C ATOM 594 CG2 ILE A 45 9.344 -2.083 19.402 1.00 0.00 C ATOM 595 CD1 ILE A 45 7.506 -5.093 19.957 1.00 0.00 C ATOM 0 H ILE A 45 6.861 -3.573 16.681 1.00 0.00 H new ATOM 0 HA ILE A 45 6.610 -1.466 18.767 1.00 0.00 H new ATOM 0 HB ILE A 45 8.544 -3.690 18.263 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.786 -3.225 20.999 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.340 -3.279 20.010 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.994 -2.723 19.998 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.902 -1.691 18.552 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.988 -1.255 20.015 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.958 -5.547 20.783 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.087 -5.436 19.011 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.555 -5.382 20.015 1.00 0.00 H new ATOM 606 N CYS A 46 8.769 -1.529 16.285 1.00 0.00 N ATOM 607 CA CYS A 46 9.528 -0.678 15.385 1.00 0.00 C ATOM 608 C CYS A 46 8.701 -0.460 14.117 1.00 0.00 C ATOM 609 O CYS A 46 9.046 0.374 13.281 1.00 0.00 O ATOM 610 CB CYS A 46 10.905 -1.269 15.073 1.00 0.00 C ATOM 611 SG CYS A 46 10.718 -2.822 14.123 1.00 0.00 S ATOM 0 H CYS A 46 8.931 -2.529 16.165 1.00 0.00 H new ATOM 0 HA CYS A 46 9.717 0.283 15.864 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.497 -0.553 14.503 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.445 -1.463 16.000 1.00 0.00 H new ATOM 0 HG CYS A 46 9.629 -3.429 14.493 1.00 0.00 H new ATOM 616 N ALA A 47 7.623 -1.225 14.014 1.00 0.00 N ATOM 617 CA ALA A 47 6.744 -1.125 12.861 1.00 0.00 C ATOM 618 C ALA A 47 5.523 -0.279 13.229 1.00 0.00 C ATOM 619 O ALA A 47 5.310 0.035 14.399 1.00 0.00 O ATOM 620 CB ALA A 47 6.359 -2.530 12.391 1.00 0.00 C ATOM 0 H ALA A 47 7.339 -1.915 14.709 1.00 0.00 H new ATOM 0 HA ALA A 47 7.251 -0.630 12.032 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.700 -2.456 11.526 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.258 -3.081 12.116 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.844 -3.055 13.196 1.00 0.00 H new ATOM 626 N ALA A 48 4.754 0.067 12.207 1.00 0.00 N ATOM 627 CA ALA A 48 3.560 0.871 12.408 1.00 0.00 C ATOM 628 C ALA A 48 3.962 2.252 12.928 1.00 0.00 C ATOM 629 O ALA A 48 3.631 2.616 14.055 1.00 0.00 O ATOM 630 CB ALA A 48 2.609 0.144 13.360 1.00 0.00 C ATOM 0 H ALA A 48 4.934 -0.194 11.238 1.00 0.00 H new ATOM 0 HA ALA A 48 3.031 1.015 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.714 0.747 13.511 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.330 -0.819 12.931 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.104 -0.015 14.318 1.00 0.00 H new ATOM 636 N GLU A 49 4.671 2.985 12.081 1.00 0.00 N ATOM 637 CA GLU A 49 5.122 4.318 12.441 1.00 0.00 C ATOM 638 C GLU A 49 4.015 5.342 12.178 1.00 0.00 C ATOM 639 O GLU A 49 3.253 5.205 11.222 1.00 0.00 O ATOM 640 CB GLU A 49 6.402 4.687 11.687 1.00 0.00 C ATOM 641 CG GLU A 49 6.175 4.651 10.174 1.00 0.00 C ATOM 642 CD GLU A 49 7.238 3.796 9.481 1.00 0.00 C ATOM 643 OE1 GLU A 49 7.236 2.565 9.627 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.088 4.455 8.768 1.00 0.00 O ATOM 0 H GLU A 49 4.944 2.680 11.147 1.00 0.00 H new ATOM 0 HA GLU A 49 5.353 4.327 13.506 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.731 5.682 11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.199 3.994 11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.184 4.250 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.201 5.665 9.774 1.00 0.00 H new ATOM 650 N PHE A 50 3.964 6.346 13.041 1.00 0.00 N ATOM 651 CA PHE A 50 2.965 7.392 12.913 1.00 0.00 C ATOM 652 C PHE A 50 3.352 8.390 11.821 1.00 0.00 C ATOM 653 O PHE A 50 2.609 9.330 11.541 1.00 0.00 O ATOM 654 CB PHE A 50 2.906 8.121 14.257 1.00 0.00 C ATOM 655 CG PHE A 50 2.626 7.206 15.451 1.00 0.00 C ATOM 656 CD1 PHE A 50 1.418 6.593 15.568 1.00 0.00 C ATOM 657 CD2 PHE A 50 3.585 7.005 16.393 1.00 0.00 C ATOM 658 CE1 PHE A 50 1.157 5.744 16.675 1.00 0.00 C ATOM 659 CE2 PHE A 50 3.325 6.155 17.500 1.00 0.00 C ATOM 660 CZ PHE A 50 2.116 5.542 17.619 1.00 0.00 C ATOM 0 H PHE A 50 4.599 6.457 13.832 1.00 0.00 H new ATOM 0 HA PHE A 50 2.003 6.956 12.644 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.853 8.636 14.421 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.131 8.886 14.210 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.657 6.752 14.818 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.545 7.492 16.299 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.197 5.258 16.768 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.087 5.995 18.248 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.918 4.896 18.462 1.00 0.00 H new ATOM 669 N MET A 51 4.516 8.153 11.233 1.00 0.00 N ATOM 670 CA MET A 51 5.011 9.020 10.177 1.00 0.00 C ATOM 671 C MET A 51 4.108 8.952 8.943 1.00 0.00 C ATOM 672 O MET A 51 4.259 9.746 8.015 1.00 0.00 O ATOM 673 CB MET A 51 6.430 8.598 9.794 1.00 0.00 C ATOM 674 CG MET A 51 7.466 9.548 10.398 1.00 0.00 C ATOM 675 SD MET A 51 8.971 8.659 10.763 1.00 0.00 S ATOM 676 CE MET A 51 9.599 8.421 9.109 1.00 0.00 C ATOM 0 H MET A 51 5.130 7.373 11.468 1.00 0.00 H new ATOM 0 HA MET A 51 5.014 10.046 10.546 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.617 7.582 10.141 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.530 8.588 8.709 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.674 10.362 9.703 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.071 9.999 11.308 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.693 7.354 8.906 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.911 8.868 8.391 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.576 8.895 9.019 1.00 0.00 H new ATOM 684 N ASN A 52 3.189 7.998 8.973 1.00 0.00 N ATOM 685 CA ASN A 52 2.262 7.817 7.870 1.00 0.00 C ATOM 686 C ASN A 52 0.916 8.450 8.231 1.00 0.00 C ATOM 687 O ASN A 52 0.769 9.034 9.303 1.00 0.00 O ATOM 688 CB ASN A 52 2.026 6.333 7.586 1.00 0.00 C ATOM 689 CG ASN A 52 3.352 5.596 7.382 1.00 0.00 C ATOM 690 OD1 ASN A 52 3.944 5.064 8.305 1.00 0.00 O ATOM 691 ND2 ASN A 52 3.782 5.596 6.123 1.00 0.00 N ATOM 0 H ASN A 52 3.067 7.342 9.745 1.00 0.00 H new ATOM 0 HA ASN A 52 2.693 8.288 6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.479 5.883 8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.404 6.223 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.657 5.131 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.236 6.061 5.398 1.00 0.00 H new ATOM 697 N MET A 53 -0.031 8.310 7.315 1.00 0.00 N ATOM 698 CA MET A 53 -1.360 8.861 7.522 1.00 0.00 C ATOM 699 C MET A 53 -2.247 7.876 8.287 1.00 0.00 C ATOM 700 O MET A 53 -2.068 6.663 8.183 1.00 0.00 O ATOM 701 CB MET A 53 -1.998 9.180 6.169 1.00 0.00 C ATOM 702 CG MET A 53 -1.392 10.446 5.562 1.00 0.00 C ATOM 703 SD MET A 53 -2.129 11.893 6.302 1.00 0.00 S ATOM 704 CE MET A 53 -0.709 12.569 7.145 1.00 0.00 C ATOM 0 H MET A 53 0.095 7.823 6.428 1.00 0.00 H new ATOM 0 HA MET A 53 -1.268 9.773 8.112 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.854 8.341 5.488 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.073 9.310 6.292 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.314 10.455 5.722 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.555 10.456 4.484 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.040 13.277 7.905 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.149 11.763 7.619 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.069 13.081 6.427 1.00 0.00 H new ATOM 712 N MET A 54 -3.186 8.435 9.037 1.00 0.00 N ATOM 713 CA MET A 54 -4.102 7.620 9.818 1.00 0.00 C ATOM 714 C MET A 54 -4.995 6.774 8.909 1.00 0.00 C ATOM 715 O MET A 54 -5.216 5.594 9.176 1.00 0.00 O ATOM 716 CB MET A 54 -4.973 8.527 10.690 1.00 0.00 C ATOM 717 CG MET A 54 -5.838 9.449 9.829 1.00 0.00 C ATOM 718 SD MET A 54 -6.681 10.637 10.862 1.00 0.00 S ATOM 719 CE MET A 54 -8.222 10.782 9.973 1.00 0.00 C ATOM 0 H MET A 54 -3.332 9.441 9.120 1.00 0.00 H new ATOM 0 HA MET A 54 -3.517 6.948 10.446 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.611 7.918 11.331 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.340 9.124 11.346 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.216 9.967 9.098 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.565 8.861 9.269 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.872 11.491 10.485 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.026 11.135 8.961 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.710 9.808 9.929 1.00 0.00 H new ATOM 727 N ASP A 55 -5.483 7.410 7.854 1.00 0.00 N ATOM 728 CA ASP A 55 -6.347 6.729 6.905 1.00 0.00 C ATOM 729 C ASP A 55 -5.750 5.361 6.568 1.00 0.00 C ATOM 730 O ASP A 55 -6.482 4.391 6.375 1.00 0.00 O ATOM 731 CB ASP A 55 -6.469 7.526 5.604 1.00 0.00 C ATOM 732 CG ASP A 55 -6.613 9.038 5.782 1.00 0.00 C ATOM 733 OD1 ASP A 55 -7.716 9.592 5.673 1.00 0.00 O ATOM 734 OD2 ASP A 55 -5.515 9.663 6.048 1.00 0.00 O ATOM 0 H ASP A 55 -5.297 8.389 7.636 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.332 6.625 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.589 7.330 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.332 7.157 5.049 1.00 0.00 H new ATOM 739 N GLU A 56 -4.427 5.328 6.507 1.00 0.00 N ATOM 740 CA GLU A 56 -3.723 4.095 6.196 1.00 0.00 C ATOM 741 C GLU A 56 -4.179 2.974 7.132 1.00 0.00 C ATOM 742 O GLU A 56 -4.309 1.825 6.714 1.00 0.00 O ATOM 743 CB GLU A 56 -2.208 4.293 6.276 1.00 0.00 C ATOM 744 CG GLU A 56 -1.774 5.521 5.473 1.00 0.00 C ATOM 745 CD GLU A 56 -0.270 5.488 5.191 1.00 0.00 C ATOM 746 OE1 GLU A 56 0.254 6.385 4.515 1.00 0.00 O ATOM 747 OE2 GLU A 56 0.359 4.485 5.704 1.00 0.00 O ATOM 0 H GLU A 56 -3.824 6.135 6.668 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.965 3.809 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.907 4.410 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.701 3.407 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.323 5.558 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.025 6.428 6.024 1.00 0.00 H new ATOM 753 N ALA A 57 -4.408 3.347 8.384 1.00 0.00 N ATOM 754 CA ALA A 57 -4.847 2.387 9.382 1.00 0.00 C ATOM 755 C ALA A 57 -6.233 1.863 9.006 1.00 0.00 C ATOM 756 O ALA A 57 -6.436 0.655 8.896 1.00 0.00 O ATOM 757 CB ALA A 57 -4.826 3.043 10.764 1.00 0.00 C ATOM 0 H ALA A 57 -4.298 4.301 8.729 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.171 1.533 9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.155 2.323 11.513 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.813 3.370 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.495 3.903 10.769 1.00 0.00 H new ATOM 763 N PHE A 58 -7.153 2.798 8.819 1.00 0.00 N ATOM 764 CA PHE A 58 -8.516 2.446 8.457 1.00 0.00 C ATOM 765 C PHE A 58 -8.534 1.409 7.333 1.00 0.00 C ATOM 766 O PHE A 58 -9.346 0.484 7.349 1.00 0.00 O ATOM 767 CB PHE A 58 -9.194 3.725 7.965 1.00 0.00 C ATOM 768 CG PHE A 58 -9.795 4.582 9.081 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.472 3.990 10.102 1.00 0.00 C ATOM 770 CD2 PHE A 58 -9.652 5.933 9.055 1.00 0.00 C ATOM 771 CE1 PHE A 58 -11.030 4.783 11.139 1.00 0.00 C ATOM 772 CE2 PHE A 58 -10.210 6.728 10.092 1.00 0.00 C ATOM 773 CZ PHE A 58 -10.887 6.135 11.112 1.00 0.00 C ATOM 0 H PHE A 58 -6.981 3.799 8.911 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.030 2.019 9.318 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.466 4.321 7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.983 3.458 7.262 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.585 2.916 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.114 6.403 8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -11.568 4.313 11.949 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.097 7.802 10.070 1.00 0.00 H new ATOM 0 HZ PHE A 58 -11.311 6.738 11.901 1.00 0.00 H new ATOM 782 N LYS A 59 -7.629 1.596 6.384 1.00 0.00 N ATOM 783 CA LYS A 59 -7.531 0.688 5.253 1.00 0.00 C ATOM 784 C LYS A 59 -7.111 -0.696 5.752 1.00 0.00 C ATOM 785 O LYS A 59 -7.681 -1.706 5.344 1.00 0.00 O ATOM 786 CB LYS A 59 -6.603 1.265 4.182 1.00 0.00 C ATOM 787 CG LYS A 59 -5.747 0.165 3.549 1.00 0.00 C ATOM 788 CD LYS A 59 -4.731 0.757 2.571 1.00 0.00 C ATOM 789 CE LYS A 59 -5.416 1.232 1.288 1.00 0.00 C ATOM 790 NZ LYS A 59 -6.011 2.574 1.484 1.00 0.00 N ATOM 0 H LYS A 59 -6.957 2.363 6.375 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.502 0.572 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.194 1.760 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.958 2.024 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.226 -0.390 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.388 -0.545 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.213 1.593 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.976 0.009 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.693 1.264 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.191 0.523 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.018 2.549 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.918 2.852 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.515 3.264 0.885 1.00 0.00 H new ATOM 799 N HIS A 60 -6.116 -0.697 6.626 1.00 0.00 N ATOM 800 CA HIS A 60 -5.611 -1.940 7.185 1.00 0.00 C ATOM 801 C HIS A 60 -6.778 -2.773 7.719 1.00 0.00 C ATOM 802 O HIS A 60 -6.840 -3.981 7.493 1.00 0.00 O ATOM 803 CB HIS A 60 -4.543 -1.667 8.245 1.00 0.00 C ATOM 804 CG HIS A 60 -4.400 -2.766 9.271 1.00 0.00 C ATOM 805 ND1 HIS A 60 -5.333 -3.385 10.050 1.00 0.00 N flip ATOM 806 CD2 HIS A 60 -3.182 -3.344 9.585 1.00 0.00 C flip ATOM 807 CE1 HIS A 60 -4.719 -4.293 10.799 1.00 0.00 C flip ATOM 808 NE2 HIS A 60 -3.386 -4.268 10.512 1.00 0.00 N flip ATOM 0 H HIS A 60 -5.645 0.143 6.961 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.122 -2.521 6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.583 -1.520 7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.784 -0.735 8.757 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.228 -3.086 9.149 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.196 -4.944 11.517 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.671 -4.858 10.937 1.00 0.00 H new ATOM 815 N THR A 61 -7.675 -2.094 8.419 1.00 0.00 N ATOM 816 CA THR A 61 -8.837 -2.757 8.988 1.00 0.00 C ATOM 817 C THR A 61 -9.738 -3.299 7.878 1.00 0.00 C ATOM 818 O THR A 61 -10.351 -4.355 8.031 1.00 0.00 O ATOM 819 CB THR A 61 -9.543 -1.761 9.911 1.00 0.00 C ATOM 820 OG1 THR A 61 -8.814 -1.843 11.133 1.00 0.00 O ATOM 821 CG2 THR A 61 -10.956 -2.213 10.289 1.00 0.00 C ATOM 0 H THR A 61 -7.621 -1.093 8.605 1.00 0.00 H new ATOM 0 HA THR A 61 -8.547 -3.624 9.581 1.00 0.00 H new ATOM 0 HB THR A 61 -9.591 -0.787 9.424 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.204 -1.227 11.788 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.412 -1.471 10.944 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.558 -2.319 9.386 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.905 -3.171 10.806 1.00 0.00 H new ATOM 829 N ALA A 62 -9.791 -2.553 6.784 1.00 0.00 N ATOM 830 CA ALA A 62 -10.607 -2.947 5.649 1.00 0.00 C ATOM 831 C ALA A 62 -9.901 -4.066 4.881 1.00 0.00 C ATOM 832 O ALA A 62 -10.548 -4.981 4.373 1.00 0.00 O ATOM 833 CB ALA A 62 -10.886 -1.724 4.772 1.00 0.00 C ATOM 0 H ALA A 62 -9.282 -1.678 6.660 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.569 -3.335 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.498 -2.019 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.415 -0.971 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.943 -1.310 4.415 1.00 0.00 H new ATOM 839 N ARG A 63 -8.582 -3.957 4.821 1.00 0.00 N ATOM 840 CA ARG A 63 -7.779 -4.948 4.124 1.00 0.00 C ATOM 841 C ARG A 63 -7.623 -6.204 4.984 1.00 0.00 C ATOM 842 O ARG A 63 -6.834 -7.090 4.657 1.00 0.00 O ATOM 843 CB ARG A 63 -6.394 -4.396 3.784 1.00 0.00 C ATOM 844 CG ARG A 63 -5.674 -5.299 2.781 1.00 0.00 C ATOM 845 CD ARG A 63 -4.307 -5.730 3.314 1.00 0.00 C ATOM 846 NE ARG A 63 -4.138 -7.192 3.153 1.00 0.00 N ATOM 847 CZ ARG A 63 -3.007 -7.861 3.460 1.00 0.00 C ATOM 848 NH1 ARG A 63 -1.932 -7.204 3.948 1.00 0.00 N ATOM 849 NH2 ARG A 63 -2.967 -9.168 3.275 1.00 0.00 N ATOM 0 H ARG A 63 -8.049 -3.197 5.244 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.294 -5.199 3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.490 -3.392 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.799 -4.311 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.283 -6.180 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.550 -4.771 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.517 -5.203 2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.216 -5.459 4.366 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.926 -7.727 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.971 -6.194 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.081 -7.718 4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.783 -9.656 2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.120 -9.689 3.502 1.00 0.00 H new ATOM 859 N HIS A 64 -8.386 -6.240 6.067 1.00 0.00 N ATOM 860 CA HIS A 64 -8.342 -7.373 6.976 1.00 0.00 C ATOM 861 C HIS A 64 -9.403 -8.397 6.571 1.00 0.00 C ATOM 862 O HIS A 64 -9.112 -9.588 6.458 1.00 0.00 O ATOM 863 CB HIS A 64 -8.488 -6.910 8.427 1.00 0.00 C ATOM 864 CG HIS A 64 -8.678 -8.037 9.414 1.00 0.00 C ATOM 865 ND1 HIS A 64 -9.512 -7.936 10.513 1.00 0.00 N ATOM 866 CD2 HIS A 64 -8.135 -9.288 9.454 1.00 0.00 C ATOM 867 CE1 HIS A 64 -9.465 -9.081 11.180 1.00 0.00 C ATOM 868 NE2 HIS A 64 -8.611 -9.917 10.523 1.00 0.00 N ATOM 0 H HIS A 64 -9.038 -5.503 6.335 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.370 -7.862 6.907 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.602 -6.341 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -9.338 -6.231 8.498 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.437 -9.697 8.739 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.008 -9.311 12.085 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -8.376 -10.869 10.806 1.00 0.00 H new ATOM 875 N ASN A 65 -10.613 -7.899 6.364 1.00 0.00 N ATOM 876 CA ASN A 65 -11.720 -8.756 5.973 1.00 0.00 C ATOM 877 C ASN A 65 -12.181 -8.377 4.565 1.00 0.00 C ATOM 878 O ASN A 65 -12.274 -9.233 3.687 1.00 0.00 O ATOM 879 CB ASN A 65 -12.908 -8.586 6.922 1.00 0.00 C ATOM 880 CG ASN A 65 -13.206 -7.106 7.170 1.00 0.00 C ATOM 881 OD1 ASN A 65 -12.324 -6.263 7.180 1.00 0.00 O ATOM 882 ND2 ASN A 65 -14.493 -6.840 7.369 1.00 0.00 N ATOM 0 H ASN A 65 -10.852 -6.912 6.460 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.375 -9.790 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.788 -9.072 6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.695 -9.081 7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.795 -5.881 7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.179 -7.595 7.347 1.00 0.00 H new ATOM 888 N VAL A 66 -12.460 -7.093 4.394 1.00 0.00 N ATOM 889 CA VAL A 66 -12.909 -6.590 3.107 1.00 0.00 C ATOM 890 C VAL A 66 -11.708 -6.055 2.325 1.00 0.00 C ATOM 891 O VAL A 66 -10.579 -6.496 2.535 1.00 0.00 O ATOM 892 CB VAL A 66 -14.006 -5.543 3.308 1.00 0.00 C ATOM 893 CG1 VAL A 66 -15.138 -6.094 4.179 1.00 0.00 C ATOM 894 CG2 VAL A 66 -13.433 -4.256 3.906 1.00 0.00 C ATOM 0 H VAL A 66 -12.384 -6.386 5.125 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.349 -7.393 2.516 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.422 -5.303 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.904 -5.329 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.575 -6.969 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -14.742 -6.376 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -14.234 -3.528 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -12.978 -4.475 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -12.679 -3.847 3.234 1.00 0.00 H new ATOM 904 N ASP A 67 -11.991 -5.111 1.440 1.00 0.00 N ATOM 905 CA ASP A 67 -10.949 -4.511 0.626 1.00 0.00 C ATOM 906 C ASP A 67 -11.169 -2.998 0.555 1.00 0.00 C ATOM 907 O ASP A 67 -12.298 -2.539 0.386 1.00 0.00 O ATOM 908 CB ASP A 67 -10.979 -5.060 -0.802 1.00 0.00 C ATOM 909 CG ASP A 67 -11.408 -6.524 -0.922 1.00 0.00 C ATOM 910 OD1 ASP A 67 -12.246 -6.876 -1.766 1.00 0.00 O ATOM 911 OD2 ASP A 67 -10.836 -7.329 -0.093 1.00 0.00 O ATOM 0 H ASP A 67 -12.928 -4.747 1.269 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.988 -4.747 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.657 -4.448 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.986 -4.951 -1.238 1.00 0.00 H new ATOM 916 N GLU A 68 -10.073 -2.265 0.688 1.00 0.00 N ATOM 917 CA GLU A 68 -10.134 -0.815 0.642 1.00 0.00 C ATOM 918 C GLU A 68 -8.882 -0.253 -0.036 1.00 0.00 C ATOM 919 O GLU A 68 -7.777 -0.746 0.187 1.00 0.00 O ATOM 920 CB GLU A 68 -10.308 -0.228 2.044 1.00 0.00 C ATOM 921 CG GLU A 68 -11.789 -0.030 2.376 1.00 0.00 C ATOM 922 CD GLU A 68 -12.309 1.287 1.797 1.00 0.00 C ATOM 923 OE1 GLU A 68 -12.561 2.238 2.551 1.00 0.00 O ATOM 924 OE2 GLU A 68 -12.448 1.303 0.515 1.00 0.00 O ATOM 0 H GLU A 68 -9.138 -2.649 0.828 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.004 -0.526 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.852 -0.892 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.786 0.727 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.369 -0.862 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.927 -0.036 3.457 1.00 0.00 H new ATOM 930 N LEU A 69 -9.097 0.770 -0.849 1.00 0.00 N ATOM 931 CA LEU A 69 -7.999 1.404 -1.561 1.00 0.00 C ATOM 932 C LEU A 69 -8.142 2.924 -1.460 1.00 0.00 C ATOM 933 O LEU A 69 -9.211 3.470 -1.730 1.00 0.00 O ATOM 934 CB LEU A 69 -7.924 0.887 -2.999 1.00 0.00 C ATOM 935 CG LEU A 69 -9.262 0.725 -3.724 1.00 0.00 C ATOM 936 CD1 LEU A 69 -10.105 -0.376 -3.077 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.014 2.055 -3.795 1.00 0.00 C ATOM 0 H LEU A 69 -10.015 1.176 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.045 1.142 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.300 1.569 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.418 -0.079 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.059 0.416 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.051 -0.471 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.565 -1.322 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.300 -0.120 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.961 1.910 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.206 2.419 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.411 2.785 -4.335 1.00 0.00 H new ATOM 948 N HIS A 70 -7.050 3.565 -1.070 1.00 0.00 N ATOM 949 CA HIS A 70 -7.040 5.011 -0.931 1.00 0.00 C ATOM 950 C HIS A 70 -5.668 5.555 -1.334 1.00 0.00 C ATOM 951 O HIS A 70 -4.641 4.960 -1.014 1.00 0.00 O ATOM 952 CB HIS A 70 -7.449 5.422 0.485 1.00 0.00 C ATOM 953 CG HIS A 70 -8.697 4.738 0.987 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.954 4.995 0.467 1.00 0.00 N ATOM 955 CD2 HIS A 70 -8.870 3.804 1.965 1.00 0.00 C ATOM 956 CE1 HIS A 70 -10.835 4.245 1.111 1.00 0.00 C ATOM 957 NE2 HIS A 70 -10.161 3.507 2.040 1.00 0.00 N ATOM 0 H HIS A 70 -6.166 3.109 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.778 5.451 -1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.628 5.203 1.167 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.604 6.501 0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.088 3.378 2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.900 4.222 0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.580 2.838 2.685 1.00 0.00 H new ATOM 964 N ILE A 71 -5.696 6.683 -2.030 1.00 0.00 N ATOM 965 CA ILE A 71 -4.468 7.315 -2.481 1.00 0.00 C ATOM 966 C ILE A 71 -4.543 8.819 -2.205 1.00 0.00 C ATOM 967 O ILE A 71 -5.524 9.470 -2.558 1.00 0.00 O ATOM 968 CB ILE A 71 -4.194 6.971 -3.946 1.00 0.00 C ATOM 969 CG1 ILE A 71 -2.913 7.647 -4.437 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.398 7.318 -4.824 1.00 0.00 C ATOM 971 CD1 ILE A 71 -3.199 9.057 -4.956 1.00 0.00 C ATOM 0 H ILE A 71 -6.550 7.175 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.614 6.930 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.039 5.895 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.189 7.695 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.463 7.049 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.178 7.064 -5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.268 6.753 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.608 8.385 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.271 9.514 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.905 9.003 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.626 9.660 -4.155 1.00 0.00 H new ATOM 982 N ASP A 72 -3.493 9.326 -1.575 1.00 0.00 N ATOM 983 CA ASP A 72 -3.427 10.740 -1.248 1.00 0.00 C ATOM 984 C ASP A 72 -1.979 11.219 -1.368 1.00 0.00 C ATOM 985 O ASP A 72 -1.052 10.511 -0.979 1.00 0.00 O ATOM 986 CB ASP A 72 -3.892 10.995 0.186 1.00 0.00 C ATOM 987 CG ASP A 72 -5.009 12.032 0.328 1.00 0.00 C ATOM 988 OD1 ASP A 72 -6.169 11.773 -0.025 1.00 0.00 O ATOM 989 OD2 ASP A 72 -4.643 13.162 0.832 1.00 0.00 O ATOM 0 H ASP A 72 -2.681 8.782 -1.282 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.077 11.277 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.235 10.053 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.036 11.321 0.777 1.00 0.00 H new ATOM 994 N GLY A 73 -1.829 12.420 -1.909 1.00 0.00 N ATOM 995 CA GLY A 73 -0.511 13.003 -2.085 1.00 0.00 C ATOM 996 C GLY A 73 -0.494 14.467 -1.643 1.00 0.00 C ATOM 997 O GLY A 73 -1.349 15.252 -2.051 1.00 0.00 O ATOM 0 H GLY A 73 -2.600 13.005 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.221 12.437 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.215 12.932 -3.132 1.00 0.00 H new ATOM 1001 N ASN A 74 0.487 14.791 -0.815 1.00 0.00 N ATOM 1002 CA ASN A 74 0.626 16.147 -0.313 1.00 0.00 C ATOM 1003 C ASN A 74 2.112 16.486 -0.173 1.00 0.00 C ATOM 1004 O ASN A 74 2.906 15.648 0.252 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.024 16.294 1.065 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.460 16.809 0.942 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -2.399 16.060 0.729 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.576 18.126 1.087 1.00 0.00 N ATOM 0 H ASN A 74 1.194 14.137 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 74 0.135 16.818 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.022 15.332 1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.562 16.981 1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.493 18.567 1.022 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.748 18.695 1.264 1.00 0.00 H new ATOM 1014 N TYR A 75 2.442 17.715 -0.539 1.00 0.00 N ATOM 1015 CA TYR A 75 3.819 18.175 -0.460 1.00 0.00 C ATOM 1016 C TYR A 75 4.342 18.094 0.976 1.00 0.00 C ATOM 1017 O TYR A 75 5.546 18.192 1.208 1.00 0.00 O ATOM 1018 CB TYR A 75 3.801 19.640 -0.901 1.00 0.00 C ATOM 1019 CG TYR A 75 2.685 20.469 -0.262 1.00 0.00 C ATOM 1020 CD1 TYR A 75 2.852 20.990 1.005 1.00 0.00 C ATOM 1021 CD2 TYR A 75 1.512 20.696 -0.952 1.00 0.00 C ATOM 1022 CE1 TYR A 75 1.802 21.769 1.607 1.00 0.00 C ATOM 1023 CE2 TYR A 75 0.462 21.476 -0.350 1.00 0.00 C ATOM 1024 CZ TYR A 75 0.658 21.974 0.900 1.00 0.00 C ATOM 1025 OH TYR A 75 -0.333 22.711 1.469 1.00 0.00 O ATOM 0 H TYR A 75 1.780 18.407 -0.891 1.00 0.00 H new ATOM 0 HA TYR A 75 4.466 17.559 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.762 20.094 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.695 19.681 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.771 20.813 1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.381 20.289 -1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.920 22.182 2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.461 21.661 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.089 22.776 0.849 1.00 0.00 H new ATOM 1034 N GLN A 76 3.412 17.917 1.902 1.00 0.00 N ATOM 1035 CA GLN A 76 3.763 17.822 3.308 1.00 0.00 C ATOM 1036 C GLN A 76 3.578 16.387 3.807 1.00 0.00 C ATOM 1037 O GLN A 76 3.902 16.076 4.951 1.00 0.00 O ATOM 1038 CB GLN A 76 2.943 18.803 4.147 1.00 0.00 C ATOM 1039 CG GLN A 76 3.807 19.462 5.223 1.00 0.00 C ATOM 1040 CD GLN A 76 4.256 20.858 4.786 1.00 0.00 C ATOM 1041 OE1 GLN A 76 3.740 21.439 3.846 1.00 0.00 O ATOM 1042 NE2 GLN A 76 5.244 21.363 5.520 1.00 0.00 N ATOM 0 H GLN A 76 2.414 17.837 1.706 1.00 0.00 H new ATOM 0 HA GLN A 76 4.813 18.092 3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.514 19.569 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.110 18.278 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.244 19.532 6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.680 18.841 5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.632 20.823 6.294 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.614 22.290 5.309 1.00 0.00 H new ATOM 1049 N LEU A 77 3.055 15.550 2.922 1.00 0.00 N ATOM 1050 CA LEU A 77 2.822 14.155 3.257 1.00 0.00 C ATOM 1051 C LEU A 77 4.111 13.548 3.816 1.00 0.00 C ATOM 1052 O LEU A 77 4.086 12.858 4.834 1.00 0.00 O ATOM 1053 CB LEU A 77 2.259 13.401 2.051 1.00 0.00 C ATOM 1054 CG LEU A 77 1.699 12.006 2.334 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.737 11.567 1.228 1.00 0.00 C ATOM 1056 CD2 LEU A 77 2.827 10.995 2.549 1.00 0.00 C ATOM 0 H LEU A 77 2.786 15.811 1.973 1.00 0.00 H new ATOM 0 HA LEU A 77 2.065 14.071 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.468 14.005 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.048 13.310 1.304 1.00 0.00 H new ATOM 0 HG LEU A 77 1.126 12.049 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.353 10.572 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.093 12.271 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.265 11.545 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.401 10.012 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.448 10.947 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.437 11.305 3.398 1.00 0.00 H new ATOM 1067 N GLY A 78 5.206 13.825 3.124 1.00 0.00 N ATOM 1068 CA GLY A 78 6.502 13.314 3.538 1.00 0.00 C ATOM 1069 C GLY A 78 7.378 12.993 2.325 1.00 0.00 C ATOM 1070 O GLY A 78 8.529 12.586 2.476 1.00 0.00 O ATOM 0 H GLY A 78 5.223 14.397 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.002 14.049 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.367 12.416 4.141 1.00 0.00 H new ATOM 1074 N ARG A 79 6.800 13.188 1.149 1.00 0.00 N ATOM 1075 CA ARG A 79 7.513 12.925 -0.089 1.00 0.00 C ATOM 1076 C ARG A 79 7.809 11.429 -0.222 1.00 0.00 C ATOM 1077 O ARG A 79 8.955 11.037 -0.436 1.00 0.00 O ATOM 1078 CB ARG A 79 8.828 13.705 -0.143 1.00 0.00 C ATOM 1079 CG ARG A 79 8.587 15.158 -0.559 1.00 0.00 C ATOM 1080 CD ARG A 79 9.774 15.704 -1.355 1.00 0.00 C ATOM 1081 NE ARG A 79 9.737 15.183 -2.740 1.00 0.00 N ATOM 1082 CZ ARG A 79 10.286 15.812 -3.800 1.00 0.00 C ATOM 1083 NH1 ARG A 79 10.920 16.993 -3.643 1.00 0.00 N ATOM 1084 NH2 ARG A 79 10.194 15.255 -4.993 1.00 0.00 N ATOM 0 H ARG A 79 5.845 13.525 1.027 1.00 0.00 H new ATOM 0 HA ARG A 79 6.878 13.249 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.311 13.678 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.509 13.229 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.680 15.222 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.425 15.772 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.744 16.794 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.709 15.416 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 79 9.267 14.293 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.987 17.417 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.332 17.462 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.713 14.362 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.604 15.717 -5.805 1.00 0.00 H new ATOM 1094 N ASN A 80 6.756 10.637 -0.092 1.00 0.00 N ATOM 1095 CA ASN A 80 6.888 9.194 -0.196 1.00 0.00 C ATOM 1096 C ASN A 80 5.980 8.682 -1.315 1.00 0.00 C ATOM 1097 O ASN A 80 4.764 8.862 -1.264 1.00 0.00 O ATOM 1098 CB ASN A 80 6.468 8.507 1.106 1.00 0.00 C ATOM 1099 CG ASN A 80 7.627 7.705 1.701 1.00 0.00 C ATOM 1100 OD1 ASN A 80 8.788 7.920 1.394 1.00 0.00 O ATOM 1101 ND2 ASN A 80 7.249 6.771 2.569 1.00 0.00 N ATOM 0 H ASN A 80 5.807 10.967 0.084 1.00 0.00 H new ATOM 0 HA ASN A 80 7.933 8.965 -0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.132 9.255 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.623 7.845 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.948 6.183 3.022 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.260 6.643 2.782 1.00 0.00 H new ATOM 1107 N VAL A 81 6.605 8.053 -2.300 1.00 0.00 N ATOM 1108 CA VAL A 81 5.867 7.514 -3.430 1.00 0.00 C ATOM 1109 C VAL A 81 6.033 5.993 -3.462 1.00 0.00 C ATOM 1110 O VAL A 81 7.118 5.489 -3.750 1.00 0.00 O ATOM 1111 CB VAL A 81 6.323 8.193 -4.724 1.00 0.00 C ATOM 1112 CG1 VAL A 81 7.848 8.188 -4.838 1.00 0.00 C ATOM 1113 CG2 VAL A 81 5.679 7.533 -5.945 1.00 0.00 C ATOM 0 H VAL A 81 7.613 7.905 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 81 4.802 7.723 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 81 5.994 9.232 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.145 8.676 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.278 8.724 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.210 7.160 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.019 8.034 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.964 6.482 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.594 7.613 -5.872 1.00 0.00 H new ATOM 1123 N LEU A 82 4.942 5.304 -3.165 1.00 0.00 N ATOM 1124 CA LEU A 82 4.953 3.851 -3.156 1.00 0.00 C ATOM 1125 C LEU A 82 3.851 3.332 -4.082 1.00 0.00 C ATOM 1126 O LEU A 82 2.673 3.618 -3.872 1.00 0.00 O ATOM 1127 CB LEU A 82 4.853 3.323 -1.723 1.00 0.00 C ATOM 1128 CG LEU A 82 5.974 3.747 -0.773 1.00 0.00 C ATOM 1129 CD1 LEU A 82 5.713 3.233 0.645 1.00 0.00 C ATOM 1130 CD2 LEU A 82 7.338 3.302 -1.302 1.00 0.00 C ATOM 0 H LEU A 82 4.044 5.725 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 82 5.899 3.474 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.903 3.651 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.827 2.234 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 82 5.988 4.836 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.524 3.548 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.771 3.640 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.658 2.144 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.118 3.616 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.354 2.216 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.516 3.756 -2.277 1.00 0.00 H new ATOM 1141 N LEU A 83 4.272 2.578 -5.087 1.00 0.00 N ATOM 1142 CA LEU A 83 3.335 2.017 -6.045 1.00 0.00 C ATOM 1143 C LEU A 83 3.351 0.490 -5.933 1.00 0.00 C ATOM 1144 O LEU A 83 4.331 -0.152 -6.307 1.00 0.00 O ATOM 1145 CB LEU A 83 3.636 2.533 -7.454 1.00 0.00 C ATOM 1146 CG LEU A 83 2.457 2.543 -8.429 1.00 0.00 C ATOM 1147 CD1 LEU A 83 2.873 3.118 -9.785 1.00 0.00 C ATOM 1148 CD2 LEU A 83 1.843 1.149 -8.562 1.00 0.00 C ATOM 0 H LEU A 83 5.250 2.343 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 83 2.319 2.343 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.024 3.548 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.431 1.922 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 83 1.685 3.197 -8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.017 3.114 -10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.227 4.141 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.672 2.509 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.007 1.185 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.596 0.454 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.487 0.814 -7.588 1.00 0.00 H new ATOM 1159 N LYS A 84 2.255 -0.044 -5.416 1.00 0.00 N ATOM 1160 CA LYS A 84 2.131 -1.482 -5.250 1.00 0.00 C ATOM 1161 C LYS A 84 0.861 -1.965 -5.954 1.00 0.00 C ATOM 1162 O LYS A 84 -0.241 -1.534 -5.620 1.00 0.00 O ATOM 1163 CB LYS A 84 2.193 -1.858 -3.768 1.00 0.00 C ATOM 1164 CG LYS A 84 2.424 -3.360 -3.592 1.00 0.00 C ATOM 1165 CD LYS A 84 3.738 -3.630 -2.856 1.00 0.00 C ATOM 1166 CE LYS A 84 3.879 -5.114 -2.511 1.00 0.00 C ATOM 1167 NZ LYS A 84 4.282 -5.280 -1.096 1.00 0.00 N ATOM 0 H LYS A 84 1.445 0.493 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 84 2.971 -1.993 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.996 -1.304 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.264 -1.569 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.595 -3.796 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.443 -3.845 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.577 -3.316 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.776 -3.036 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.934 -5.626 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.620 -5.577 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.505 -6.279 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.122 -4.697 -0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.503 -4.980 -0.476 1.00 0.00 H new ATOM 1176 N ASN A 85 1.059 -2.852 -6.918 1.00 0.00 N ATOM 1177 CA ASN A 85 -0.056 -3.399 -7.673 1.00 0.00 C ATOM 1178 C ASN A 85 -0.172 -4.898 -7.392 1.00 0.00 C ATOM 1179 O ASN A 85 0.716 -5.671 -7.750 1.00 0.00 O ATOM 1180 CB ASN A 85 0.154 -3.215 -9.177 1.00 0.00 C ATOM 1181 CG ASN A 85 0.279 -1.732 -9.536 1.00 0.00 C ATOM 1182 OD1 ASN A 85 -0.230 -0.858 -8.855 1.00 0.00 O ATOM 1183 ND2 ASN A 85 0.982 -1.501 -10.641 1.00 0.00 N ATOM 0 H ASN A 85 1.975 -3.206 -7.194 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.960 -2.872 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.053 -3.746 -9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.682 -3.655 -9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.122 -0.544 -10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.381 -2.281 -11.164 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.273 -5.265 -6.753 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.516 -6.659 -6.420 1.00 0.00 C ATOM 1191 C GLY A 86 -2.832 -7.146 -7.028 1.00 0.00 C ATOM 1192 O GLY A 86 -3.896 -6.608 -6.728 1.00 0.00 O ATOM 0 H GLY A 86 -2.007 -4.622 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.693 -7.273 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.545 -6.778 -5.337 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.716 -8.160 -7.873 1.00 0.00 N ATOM 1197 CA GLU A 87 -3.883 -8.727 -8.527 1.00 0.00 C ATOM 1198 C GLU A 87 -3.997 -10.219 -8.208 1.00 0.00 C ATOM 1199 O GLU A 87 -3.096 -10.995 -8.521 1.00 0.00 O ATOM 1200 CB GLU A 87 -3.834 -8.491 -10.038 1.00 0.00 C ATOM 1201 CG GLU A 87 -4.442 -7.135 -10.401 1.00 0.00 C ATOM 1202 CD GLU A 87 -3.732 -6.000 -9.660 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -4.324 -5.380 -8.763 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -2.523 -5.769 -10.045 1.00 0.00 O ATOM 0 H GLU A 87 -1.831 -8.604 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.771 -8.224 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.801 -8.534 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.375 -9.286 -10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.367 -6.975 -11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.503 -7.130 -10.151 1.00 0.00 H new ATOM 1210 N ASP A 88 -5.114 -10.576 -7.590 1.00 0.00 N ATOM 1211 CA ASP A 88 -5.358 -11.961 -7.226 1.00 0.00 C ATOM 1212 C ASP A 88 -6.586 -12.473 -7.980 1.00 0.00 C ATOM 1213 O ASP A 88 -7.601 -11.782 -8.063 1.00 0.00 O ATOM 1214 CB ASP A 88 -5.632 -12.097 -5.727 1.00 0.00 C ATOM 1215 CG ASP A 88 -5.502 -13.516 -5.171 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -5.982 -14.486 -5.777 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -4.867 -13.607 -4.053 1.00 0.00 O ATOM 0 H ASP A 88 -5.860 -9.930 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.470 -12.539 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.944 -11.447 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.639 -11.734 -5.523 1.00 0.00 H new ATOM 1222 N ARG A 89 -6.455 -13.680 -8.511 1.00 0.00 N ATOM 1223 CA ARG A 89 -7.542 -14.293 -9.256 1.00 0.00 C ATOM 1224 C ARG A 89 -7.538 -15.809 -9.051 1.00 0.00 C ATOM 1225 O ARG A 89 -6.499 -16.454 -9.185 1.00 0.00 O ATOM 1226 CB ARG A 89 -7.427 -13.987 -10.751 1.00 0.00 C ATOM 1227 CG ARG A 89 -8.447 -14.795 -11.556 1.00 0.00 C ATOM 1228 CD ARG A 89 -7.755 -15.638 -12.629 1.00 0.00 C ATOM 1229 NE ARG A 89 -6.696 -16.469 -12.015 1.00 0.00 N ATOM 1230 CZ ARG A 89 -6.893 -17.716 -11.537 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -8.115 -18.287 -11.599 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -5.874 -18.367 -11.008 1.00 0.00 N ATOM 0 H ARG A 89 -5.612 -14.250 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.477 -13.875 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.585 -12.922 -10.921 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.420 -14.219 -11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.012 -15.444 -10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.163 -14.120 -12.025 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.484 -16.275 -13.129 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.323 -14.989 -13.391 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.758 -16.075 -11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.897 -17.776 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.256 -19.230 -11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.955 -17.927 -10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.006 -19.310 -10.642 1.00 0.00 H new ATOM 1242 N LEU A 90 -8.711 -16.334 -8.729 1.00 0.00 N ATOM 1243 CA LEU A 90 -8.855 -17.762 -8.503 1.00 0.00 C ATOM 1244 C LEU A 90 -9.834 -18.339 -9.528 1.00 0.00 C ATOM 1245 O LEU A 90 -10.528 -17.593 -10.218 1.00 0.00 O ATOM 1246 CB LEU A 90 -9.251 -18.038 -7.052 1.00 0.00 C ATOM 1247 CG LEU A 90 -8.111 -18.021 -6.031 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -8.656 -18.041 -4.601 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -7.128 -19.165 -6.287 1.00 0.00 C ATOM 0 H LEU A 90 -9.571 -15.796 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.902 -18.269 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.993 -17.298 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.737 -19.013 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.558 -17.090 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.826 -18.028 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.284 -17.165 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.247 -18.944 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.328 -19.130 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.651 -20.118 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.704 -19.063 -7.286 1.00 0.00 H new ATOM 1260 N ARG A 91 -9.858 -19.662 -9.597 1.00 0.00 N ATOM 1261 CA ARG A 91 -10.740 -20.347 -10.526 1.00 0.00 C ATOM 1262 C ARG A 91 -12.179 -20.322 -10.009 1.00 0.00 C ATOM 1263 O ARG A 91 -13.113 -20.638 -10.744 1.00 0.00 O ATOM 1264 CB ARG A 91 -10.305 -21.800 -10.729 1.00 0.00 C ATOM 1265 CG ARG A 91 -10.351 -22.576 -9.411 1.00 0.00 C ATOM 1266 CD ARG A 91 -10.224 -24.080 -9.656 1.00 0.00 C ATOM 1267 NE ARG A 91 -10.958 -24.828 -8.611 1.00 0.00 N ATOM 1268 CZ ARG A 91 -12.262 -25.166 -8.697 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -12.987 -24.827 -9.783 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -12.817 -25.834 -7.702 1.00 0.00 N ATOM 0 H ARG A 91 -9.281 -20.278 -9.024 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.684 -19.825 -11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.956 -22.279 -11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.294 -21.827 -11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.544 -22.241 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.287 -22.366 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.620 -24.331 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.173 -24.370 -9.652 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.446 -25.106 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.550 -24.311 -10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.972 -25.086 -9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.261 -26.087 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.801 -26.097 -7.751 1.00 0.00 H new ATOM 1280 N PHE A 92 -12.314 -19.942 -8.746 1.00 0.00 N ATOM 1281 CA PHE A 92 -13.624 -19.870 -8.121 1.00 0.00 C ATOM 1282 C PHE A 92 -14.378 -18.617 -8.569 1.00 0.00 C ATOM 1283 O PHE A 92 -15.601 -18.637 -8.702 1.00 0.00 O ATOM 1284 CB PHE A 92 -13.396 -19.801 -6.611 1.00 0.00 C ATOM 1285 CG PHE A 92 -14.655 -20.054 -5.778 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -15.636 -19.113 -5.728 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -14.793 -21.217 -5.089 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -16.805 -19.347 -4.957 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -15.962 -21.451 -4.317 1.00 0.00 C ATOM 1290 CZ PHE A 92 -16.943 -20.510 -4.267 1.00 0.00 C ATOM 0 H PHE A 92 -11.537 -19.681 -8.139 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.219 -20.739 -8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.637 -20.533 -6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.998 -18.818 -6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.526 -18.188 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -14.014 -21.964 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.585 -18.601 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -16.072 -22.376 -3.770 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.832 -20.687 -3.679 1.00 0.00 H new ATOM 1299 N TYR A 93 -13.617 -17.556 -8.791 1.00 0.00 N ATOM 1300 CA TYR A 93 -14.197 -16.296 -9.223 1.00 0.00 C ATOM 1301 C TYR A 93 -13.562 -15.818 -10.530 1.00 0.00 C ATOM 1302 O TYR A 93 -12.411 -16.141 -10.820 1.00 0.00 O ATOM 1303 CB TYR A 93 -13.882 -15.286 -8.118 1.00 0.00 C ATOM 1304 CG TYR A 93 -15.120 -14.705 -7.433 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -16.214 -15.509 -7.186 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -15.144 -13.375 -7.063 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -17.379 -14.963 -6.541 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -16.310 -12.828 -6.419 1.00 0.00 C ATOM 1309 CZ TYR A 93 -17.371 -13.649 -6.190 1.00 0.00 C ATOM 1310 OH TYR A 93 -18.472 -13.132 -5.582 1.00 0.00 O ATOM 0 H TYR A 93 -12.603 -17.543 -8.680 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.267 -16.407 -9.396 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.257 -15.769 -7.367 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.298 -14.470 -8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.196 -16.549 -7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.288 -12.745 -7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -18.240 -15.583 -6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.342 -11.789 -6.124 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.323 -12.183 -5.388 1.00 0.00 H new ATOM 1319 N VAL A 94 -14.341 -15.056 -11.285 1.00 0.00 N ATOM 1320 CA VAL A 94 -13.869 -14.531 -12.555 1.00 0.00 C ATOM 1321 C VAL A 94 -13.699 -13.014 -12.443 1.00 0.00 C ATOM 1322 O VAL A 94 -12.726 -12.456 -12.949 1.00 0.00 O ATOM 1323 CB VAL A 94 -14.821 -14.944 -13.679 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -14.460 -14.242 -14.989 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -14.832 -16.464 -13.856 1.00 0.00 C ATOM 0 H VAL A 94 -15.295 -14.790 -11.041 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.894 -14.951 -12.803 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.827 -14.632 -13.398 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.152 -14.553 -15.771 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.527 -13.162 -14.854 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.443 -14.509 -15.277 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.516 -16.732 -14.661 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.828 -16.809 -14.104 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.159 -16.936 -12.930 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.660 -12.391 -11.777 1.00 0.00 N ATOM 1336 CA LYS A 95 -14.628 -10.951 -11.591 1.00 0.00 C ATOM 1337 C LYS A 95 -13.397 -10.572 -10.766 1.00 0.00 C ATOM 1338 O LYS A 95 -12.510 -9.873 -11.253 1.00 0.00 O ATOM 1339 CB LYS A 95 -15.946 -10.459 -10.989 1.00 0.00 C ATOM 1340 CG LYS A 95 -15.769 -9.094 -10.321 1.00 0.00 C ATOM 1341 CD LYS A 95 -16.925 -8.155 -10.673 1.00 0.00 C ATOM 1342 CE LYS A 95 -16.813 -7.668 -12.119 1.00 0.00 C ATOM 1343 NZ LYS A 95 -18.122 -7.176 -12.603 1.00 0.00 N ATOM 0 H LYS A 95 -15.465 -12.857 -11.360 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.534 -10.446 -12.553 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.703 -10.390 -11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.308 -11.182 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.714 -9.219 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -14.826 -8.650 -10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.874 -8.672 -10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.923 -7.301 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.072 -6.872 -12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.465 -8.481 -12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.028 -6.849 -13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.820 -7.946 -12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.439 -6.387 -12.005 1.00 0.00 H new ATOM 1352 N PHE A 96 -13.382 -11.052 -9.531 1.00 0.00 N ATOM 1353 CA PHE A 96 -12.274 -10.773 -8.634 1.00 0.00 C ATOM 1354 C PHE A 96 -11.739 -9.356 -8.847 1.00 0.00 C ATOM 1355 O PHE A 96 -10.550 -9.170 -9.104 1.00 0.00 O ATOM 1356 CB PHE A 96 -11.169 -11.778 -8.963 1.00 0.00 C ATOM 1357 CG PHE A 96 -10.517 -12.412 -7.732 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -9.828 -11.637 -6.852 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -10.626 -13.751 -7.518 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -9.224 -12.225 -5.709 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -10.023 -14.340 -6.375 1.00 0.00 C ATOM 1362 CZ PHE A 96 -9.333 -13.564 -5.496 1.00 0.00 C ATOM 0 H PHE A 96 -14.119 -11.632 -9.131 1.00 0.00 H new ATOM 0 HA PHE A 96 -12.604 -10.855 -7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -11.585 -12.568 -9.588 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -10.400 -11.277 -9.551 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.740 -10.574 -7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -11.172 -14.367 -8.218 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.678 -11.609 -5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -10.112 -15.403 -6.204 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.871 -14.012 -4.628 1.00 0.00 H new ATOM 1371 N GLY A 97 -12.641 -8.393 -8.732 1.00 0.00 N ATOM 1372 CA GLY A 97 -12.274 -6.998 -8.910 1.00 0.00 C ATOM 1373 C GLY A 97 -10.782 -6.786 -8.645 1.00 0.00 C ATOM 1374 O GLY A 97 -10.370 -6.609 -7.501 1.00 0.00 O ATOM 0 H GLY A 97 -13.626 -8.551 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.515 -6.681 -9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.859 -6.375 -8.234 1.00 0.00 H new ATOM 1378 N PRO A 98 -9.994 -6.812 -9.754 1.00 0.00 N ATOM 1379 CA PRO A 98 -8.557 -6.623 -9.653 1.00 0.00 C ATOM 1380 C PRO A 98 -8.212 -5.155 -9.399 1.00 0.00 C ATOM 1381 O PRO A 98 -7.910 -4.413 -10.333 1.00 0.00 O ATOM 1382 CB PRO A 98 -7.999 -7.146 -10.967 1.00 0.00 C ATOM 1383 CG PRO A 98 -9.171 -7.175 -11.935 1.00 0.00 C ATOM 1384 CD PRO A 98 -10.448 -7.018 -11.125 1.00 0.00 C ATOM 0 HA PRO A 98 -8.121 -7.157 -8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.202 -6.501 -11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -7.571 -8.141 -10.841 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.082 -6.372 -12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.184 -8.113 -12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -11.039 -6.173 -11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.079 -7.903 -11.204 1.00 0.00 H new ATOM 1389 N GLY A 99 -8.269 -4.778 -8.129 1.00 0.00 N ATOM 1390 CA GLY A 99 -7.966 -3.411 -7.740 1.00 0.00 C ATOM 1391 C GLY A 99 -6.687 -2.917 -8.420 1.00 0.00 C ATOM 1392 O GLY A 99 -5.584 -3.202 -7.955 1.00 0.00 O ATOM 0 H GLY A 99 -8.520 -5.395 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.799 -2.760 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.852 -3.354 -6.658 1.00 0.00 H new ATOM 1396 N ALA A 100 -6.878 -2.188 -9.509 1.00 0.00 N ATOM 1397 CA ALA A 100 -5.753 -1.652 -10.257 1.00 0.00 C ATOM 1398 C ALA A 100 -5.599 -0.164 -9.942 1.00 0.00 C ATOM 1399 O ALA A 100 -6.567 0.501 -9.573 1.00 0.00 O ATOM 1400 CB ALA A 100 -5.962 -1.913 -11.750 1.00 0.00 C ATOM 0 H ALA A 100 -7.794 -1.956 -9.892 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.827 -2.148 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.118 -1.511 -12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.036 -2.986 -11.925 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.881 -1.428 -12.079 1.00 0.00 H new ATOM 1406 N VAL A 101 -4.374 0.318 -10.098 1.00 0.00 N ATOM 1407 CA VAL A 101 -4.081 1.718 -9.835 1.00 0.00 C ATOM 1408 C VAL A 101 -5.147 2.592 -10.499 1.00 0.00 C ATOM 1409 O VAL A 101 -5.553 3.611 -9.945 1.00 0.00 O ATOM 1410 CB VAL A 101 -2.661 2.050 -10.298 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -1.627 1.222 -9.533 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -2.515 1.852 -11.808 1.00 0.00 C ATOM 0 H VAL A 101 -3.573 -0.235 -10.403 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.116 1.922 -8.765 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.475 3.102 -10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.626 1.477 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.706 1.436 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.811 0.161 -9.704 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.496 2.095 -12.110 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.731 0.814 -12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.214 2.506 -12.330 1.00 0.00 H new ATOM 1422 N ILE A 102 -5.571 2.159 -11.678 1.00 0.00 N ATOM 1423 CA ILE A 102 -6.581 2.889 -12.424 1.00 0.00 C ATOM 1424 C ILE A 102 -7.897 2.872 -11.644 1.00 0.00 C ATOM 1425 O ILE A 102 -8.579 3.891 -11.548 1.00 0.00 O ATOM 1426 CB ILE A 102 -6.701 2.337 -13.846 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -7.726 3.131 -14.658 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -7.021 0.840 -13.827 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -7.079 4.352 -15.313 1.00 0.00 C ATOM 0 H ILE A 102 -5.233 1.312 -12.134 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.290 3.934 -12.536 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.737 2.455 -14.341 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.162 2.491 -15.425 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.541 3.451 -14.008 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.101 0.472 -14.850 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.225 0.304 -13.310 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.965 0.676 -13.308 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.829 4.899 -15.884 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.665 5.002 -14.542 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.281 4.027 -15.980 1.00 0.00 H new ATOM 1440 N LYS A 103 -8.213 1.703 -11.107 1.00 0.00 N ATOM 1441 CA LYS A 103 -9.435 1.540 -10.338 1.00 0.00 C ATOM 1442 C LYS A 103 -9.356 2.397 -9.073 1.00 0.00 C ATOM 1443 O LYS A 103 -10.295 3.122 -8.750 1.00 0.00 O ATOM 1444 CB LYS A 103 -9.700 0.058 -10.062 1.00 0.00 C ATOM 1445 CG LYS A 103 -9.819 -0.731 -11.367 1.00 0.00 C ATOM 1446 CD LYS A 103 -10.686 0.016 -12.381 1.00 0.00 C ATOM 1447 CE LYS A 103 -11.243 -0.942 -13.437 1.00 0.00 C ATOM 1448 NZ LYS A 103 -12.304 -0.282 -14.229 1.00 0.00 N ATOM 0 H LYS A 103 -7.645 0.860 -11.189 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.294 1.893 -10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.892 -0.353 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.617 -0.049 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.827 -0.900 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.251 -1.711 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.508 0.513 -11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.096 0.794 -12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.440 -1.271 -14.097 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -11.643 -1.833 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.670 -0.946 -14.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.077 0.011 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.911 0.554 -14.706 1.00 0.00 H new ATOM 1457 N GLU A 104 -8.225 2.285 -8.392 1.00 0.00 N ATOM 1458 CA GLU A 104 -8.010 3.040 -7.169 1.00 0.00 C ATOM 1459 C GLU A 104 -8.041 4.542 -7.460 1.00 0.00 C ATOM 1460 O GLU A 104 -8.685 5.304 -6.741 1.00 0.00 O ATOM 1461 CB GLU A 104 -6.694 2.639 -6.501 1.00 0.00 C ATOM 1462 CG GLU A 104 -6.037 3.841 -5.818 1.00 0.00 C ATOM 1463 CD GLU A 104 -6.802 4.238 -4.554 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -7.671 5.120 -4.607 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -6.464 3.595 -3.488 1.00 0.00 O ATOM 0 H GLU A 104 -7.448 1.683 -8.664 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.818 2.807 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.879 1.855 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.015 2.224 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.005 3.600 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.006 4.684 -6.508 1.00 0.00 H new ATOM 1471 N PHE A 105 -7.339 4.922 -8.517 1.00 0.00 N ATOM 1472 CA PHE A 105 -7.278 6.319 -8.913 1.00 0.00 C ATOM 1473 C PHE A 105 -8.667 6.959 -8.874 1.00 0.00 C ATOM 1474 O PHE A 105 -8.802 8.136 -8.540 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.753 6.354 -10.350 1.00 0.00 C ATOM 1476 CG PHE A 105 -7.526 7.300 -11.271 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -8.759 6.950 -11.726 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -6.979 8.491 -11.636 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -9.475 7.828 -12.582 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -7.696 9.369 -12.492 1.00 0.00 C ATOM 1481 CZ PHE A 105 -8.929 9.019 -12.946 1.00 0.00 C ATOM 0 H PHE A 105 -6.807 4.287 -9.112 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.632 6.872 -8.231 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.705 6.653 -10.336 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.792 5.347 -10.765 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.193 6.005 -11.436 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.000 8.769 -11.275 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.454 7.550 -12.944 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.262 10.314 -12.782 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.475 9.687 -13.596 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.663 6.159 -9.221 1.00 0.00 N ATOM 1491 CA LYS A 106 -11.036 6.634 -9.230 1.00 0.00 C ATOM 1492 C LYS A 106 -11.395 7.170 -7.842 1.00 0.00 C ATOM 1493 O LYS A 106 -11.935 8.268 -7.718 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.980 5.536 -9.727 1.00 0.00 C ATOM 1495 CG LYS A 106 -11.495 4.959 -11.058 1.00 0.00 C ATOM 1496 CD LYS A 106 -12.597 4.143 -11.736 1.00 0.00 C ATOM 1497 CE LYS A 106 -12.987 2.933 -10.886 1.00 0.00 C ATOM 1498 NZ LYS A 106 -14.302 2.403 -11.309 1.00 0.00 N ATOM 0 H LYS A 106 -9.547 5.184 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.148 7.461 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.043 4.742 -8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.985 5.942 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.180 5.769 -11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.622 4.328 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.471 4.773 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.256 3.809 -12.716 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.228 2.156 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.024 3.217 -9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.551 1.582 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.026 3.141 -11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.255 2.113 -12.307 1.00 0.00 H new ATOM 1507 N ILE A 107 -11.080 6.371 -6.834 1.00 0.00 N ATOM 1508 CA ILE A 107 -11.363 6.751 -5.460 1.00 0.00 C ATOM 1509 C ILE A 107 -11.239 8.269 -5.320 1.00 0.00 C ATOM 1510 O ILE A 107 -12.057 8.904 -4.657 1.00 0.00 O ATOM 1511 CB ILE A 107 -10.470 5.969 -4.494 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -11.306 5.062 -3.588 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -9.574 6.914 -3.690 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -12.136 4.078 -4.414 1.00 0.00 C ATOM 0 H ILE A 107 -10.631 5.461 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.387 6.489 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.815 5.324 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.650 4.513 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.966 5.669 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.949 6.333 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.940 7.481 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.194 7.601 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -12.721 3.445 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -12.808 4.631 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.472 3.456 -5.014 1.00 0.00 H new ATOM 1525 N THR A 108 -10.209 8.809 -5.956 1.00 0.00 N ATOM 1526 CA THR A 108 -9.967 10.241 -5.912 1.00 0.00 C ATOM 1527 C THR A 108 -9.146 10.681 -7.124 1.00 0.00 C ATOM 1528 O THR A 108 -9.585 11.529 -7.901 1.00 0.00 O ATOM 1529 CB THR A 108 -9.297 10.565 -4.575 1.00 0.00 C ATOM 1530 OG1 THR A 108 -9.151 11.982 -4.595 1.00 0.00 O ATOM 1531 CG2 THR A 108 -7.861 10.044 -4.497 1.00 0.00 C ATOM 0 H THR A 108 -9.532 8.279 -6.505 1.00 0.00 H new ATOM 0 HA THR A 108 -10.900 10.802 -5.970 1.00 0.00 H new ATOM 0 HB THR A 108 -9.883 10.136 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.726 12.279 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.433 10.301 -3.528 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.860 8.961 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.266 10.498 -5.289 1.00 0.00 H new ATOM 1539 N ASP A 109 -7.970 10.085 -7.251 1.00 0.00 N ATOM 1540 CA ASP A 109 -7.084 10.407 -8.357 1.00 0.00 C ATOM 1541 C ASP A 109 -7.823 10.183 -9.679 1.00 0.00 C ATOM 1542 O ASP A 109 -7.950 11.104 -10.485 1.00 0.00 O ATOM 1543 CB ASP A 109 -5.847 9.506 -8.351 1.00 0.00 C ATOM 1544 CG ASP A 109 -4.568 10.169 -7.834 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -3.450 9.711 -8.119 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -4.753 11.211 -7.098 1.00 0.00 O ATOM 0 H ASP A 109 -7.610 9.381 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.775 11.447 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.057 8.629 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.670 9.151 -9.366 1.00 0.00 H new