USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 669 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 19 GLN : amide:sc= -0.755 K(o=-1.2,f=-2.6) USER MOD Set 1.2: A 26 SER OG : rot 180:sc= -0.407 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.0826 (180deg=-0.337) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.183 F(o=-2.7!,f=-0.18) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.284 F(o=-3.2!,f=-0.28) USER MOD Single : A 8 GLN : amide:sc= -4.84! K(o=-4.8!,f=-5.9) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0.0502 (180deg=0.0473) USER MOD Single : A 16 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.068) USER MOD Single : A 18 GLN : amide:sc= -2.18! C(o=-2.2!,f=-3.9!) USER MOD Single : A 20 THR OG1 : rot -146:sc= -0.688 USER MOD Single : A 21 ASN : amide:sc= -0.806 K(o=-0.81,f=-7.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.989 X(o=-0.99,f=-0.93) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 113:sc= 2.39 USER MOD Single : A 58 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.084) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 197 THR OG1 : rot 180:sc= -0.31 USER MOD Single : B 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 199 SER OG : rot 180:sc= 0 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 180:sc= -0.39 USER MOD Single : B 204 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.497 -9.001 10.743 1.00 0.00 N ATOM 2 CA MET A 1 -16.369 -7.762 9.932 1.00 0.00 C ATOM 3 C MET A 1 -17.497 -6.784 10.242 1.00 0.00 C ATOM 4 O MET A 1 -18.660 -7.175 10.345 1.00 0.00 O ATOM 5 CB MET A 1 -16.374 -8.106 8.441 1.00 0.00 C ATOM 6 CG MET A 1 -17.550 -8.973 8.021 1.00 0.00 C ATOM 7 SD MET A 1 -17.544 -9.348 6.258 1.00 0.00 S ATOM 8 CE MET A 1 -18.985 -10.402 6.131 1.00 0.00 C ATOM 0 H1 MET A 1 -16.083 -9.801 10.223 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.995 -8.878 11.646 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.502 -9.192 10.929 1.00 0.00 H new ATOM 0 HA MET A 1 -15.423 -7.286 10.189 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.390 -7.182 7.863 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.446 -8.621 8.192 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.529 -9.905 8.586 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.480 -8.465 8.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.115 -10.717 5.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.851 -11.280 6.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.868 -9.852 6.456 1.00 0.00 H new ATOM 20 N THR A 2 -17.144 -5.512 10.392 1.00 0.00 N ATOM 21 CA THR A 2 -18.124 -4.474 10.690 1.00 0.00 C ATOM 22 C THR A 2 -18.320 -3.547 9.495 1.00 0.00 C ATOM 23 O THR A 2 -19.155 -2.642 9.530 1.00 0.00 O ATOM 24 CB THR A 2 -17.702 -3.637 11.911 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.440 -3.006 11.663 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.604 -4.505 13.157 1.00 0.00 C ATOM 0 H THR A 2 -16.185 -5.175 10.312 1.00 0.00 H new ATOM 0 HA THR A 2 -19.063 -4.979 10.914 1.00 0.00 H new ATOM 0 HB THR A 2 -18.462 -2.874 12.078 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.181 -2.475 12.445 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.304 -3.890 14.006 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.574 -4.958 13.362 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.864 -5.289 12.997 1.00 0.00 H new ATOM 34 N ASP A 3 -17.545 -3.779 8.440 1.00 0.00 N ATOM 35 CA ASP A 3 -17.631 -2.964 7.233 1.00 0.00 C ATOM 36 C ASP A 3 -17.042 -3.704 6.034 1.00 0.00 C ATOM 37 O ASP A 3 -15.899 -4.158 6.074 1.00 0.00 O ATOM 38 CB ASP A 3 -16.900 -1.636 7.435 1.00 0.00 C ATOM 39 CG ASP A 3 -16.995 -0.732 6.221 1.00 0.00 C ATOM 40 OD1 ASP A 3 -17.967 0.048 6.136 1.00 0.00 O ATOM 41 OD2 ASP A 3 -16.097 -0.802 5.356 1.00 0.00 O ATOM 0 H ASP A 3 -16.850 -4.525 8.396 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.684 -2.764 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.318 -1.122 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.851 -1.832 7.657 1.00 0.00 H new ATOM 46 N ASN A 4 -17.832 -3.822 4.972 1.00 0.00 N ATOM 47 CA ASN A 4 -17.388 -4.503 3.760 1.00 0.00 C ATOM 48 C ASN A 4 -18.205 -4.049 2.556 1.00 0.00 C ATOM 49 O ASN A 4 -19.395 -3.757 2.678 1.00 0.00 O ATOM 50 CB ASN A 4 -17.503 -6.020 3.925 1.00 0.00 C ATOM 51 CG ASN A 4 -18.943 -6.481 4.048 1.00 0.00 C ATOM 52 OD1 ASN A 4 -19.589 -6.807 3.052 1.00 0.00 O ATOM 53 ND2 ASN A 4 -19.453 -6.510 5.274 1.00 0.00 N ATOM 0 H ASN A 4 -18.783 -3.455 4.925 1.00 0.00 H new ATOM 0 HA ASN A 4 -16.343 -4.244 3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -17.039 -6.512 3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -16.948 -6.329 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -20.417 -6.811 5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -18.881 -6.231 6.071 1.00 0.00 H new ATOM 60 N SER A 5 -17.561 -3.990 1.394 1.00 0.00 N ATOM 61 CA SER A 5 -18.236 -3.569 0.173 1.00 0.00 C ATOM 62 C SER A 5 -17.541 -4.128 -1.065 1.00 0.00 C ATOM 63 O SER A 5 -16.312 -4.130 -1.152 1.00 0.00 O ATOM 64 CB SER A 5 -18.284 -2.041 0.094 1.00 0.00 C ATOM 65 OG SER A 5 -16.979 -1.487 0.098 1.00 0.00 O ATOM 0 H SER A 5 -16.576 -4.228 1.273 1.00 0.00 H new ATOM 0 HA SER A 5 -19.252 -3.962 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.808 -1.737 -0.812 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.852 -1.648 0.938 1.00 0.00 H new ATOM 0 HG SER A 5 -17.038 -0.510 0.045 1.00 0.00 H new ATOM 71 N ASN A 6 -18.342 -4.608 -2.015 1.00 0.00 N ATOM 72 CA ASN A 6 -17.823 -5.169 -3.262 1.00 0.00 C ATOM 73 C ASN A 6 -16.920 -6.372 -3.003 1.00 0.00 C ATOM 74 O ASN A 6 -16.243 -6.855 -3.911 1.00 0.00 O ATOM 75 CB ASN A 6 -17.060 -4.101 -4.052 1.00 0.00 C ATOM 76 CG ASN A 6 -17.976 -3.046 -4.648 1.00 0.00 C ATOM 77 OD1 ASN A 6 -19.076 -2.752 -3.963 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -17.695 -2.498 -5.714 1.00 0.00 N flip ATOM 0 H ASN A 6 -19.359 -4.620 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 6 -18.676 -5.509 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -16.335 -3.618 -3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.496 -4.581 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.840 -2.753 -6.209 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.317 -1.789 -6.103 1.00 0.00 H new ATOM 85 N ASN A 7 -16.916 -6.852 -1.762 1.00 0.00 N ATOM 86 CA ASN A 7 -16.100 -8.003 -1.385 1.00 0.00 C ATOM 87 C ASN A 7 -14.630 -7.768 -1.719 1.00 0.00 C ATOM 88 O ASN A 7 -13.868 -8.716 -1.909 1.00 0.00 O ATOM 89 CB ASN A 7 -16.600 -9.266 -2.095 1.00 0.00 C ATOM 90 CG ASN A 7 -17.959 -9.724 -1.596 1.00 0.00 C ATOM 91 OD1 ASN A 7 -18.802 -8.778 -1.194 1.00 0.00 O flip ATOM 92 ND2 ASN A 7 -18.250 -10.920 -1.577 1.00 0.00 N flip ATOM 0 H ASN A 7 -17.469 -6.461 -1.000 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.190 -8.138 -0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.657 -9.076 -3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.876 -10.068 -1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -17.574 -11.615 -1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.167 -11.216 -1.244 1.00 0.00 H new ATOM 99 N GLN A 8 -14.235 -6.500 -1.780 1.00 0.00 N ATOM 100 CA GLN A 8 -12.855 -6.145 -2.093 1.00 0.00 C ATOM 101 C GLN A 8 -12.515 -4.769 -1.532 1.00 0.00 C ATOM 102 O GLN A 8 -13.236 -3.798 -1.761 1.00 0.00 O ATOM 103 CB GLN A 8 -12.636 -6.169 -3.608 1.00 0.00 C ATOM 104 CG GLN A 8 -11.174 -6.237 -4.021 1.00 0.00 C ATOM 105 CD GLN A 8 -10.432 -4.935 -3.789 1.00 0.00 C ATOM 106 OE1 GLN A 8 -11.018 -3.855 -3.844 1.00 0.00 O ATOM 107 NE2 GLN A 8 -9.133 -5.032 -3.530 1.00 0.00 N ATOM 0 H GLN A 8 -14.850 -5.703 -1.617 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.195 -6.878 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.162 -7.027 -4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.085 -5.276 -4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.681 -7.034 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.112 -6.501 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.687 -5.949 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.581 -4.190 -3.367 1.00 0.00 H new ATOM 116 N LEU A 9 -11.410 -4.695 -0.796 1.00 0.00 N ATOM 117 CA LEU A 9 -10.970 -3.443 -0.193 1.00 0.00 C ATOM 118 C LEU A 9 -10.212 -2.588 -1.205 1.00 0.00 C ATOM 119 O LEU A 9 -9.167 -2.992 -1.715 1.00 0.00 O ATOM 120 CB LEU A 9 -10.088 -3.735 1.026 1.00 0.00 C ATOM 121 CG LEU A 9 -9.785 -2.532 1.926 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.411 -2.998 3.325 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.665 -1.687 1.336 1.00 0.00 C ATOM 0 H LEU A 9 -10.802 -5.491 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.849 -2.884 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.573 -4.503 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.143 -4.152 0.677 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.683 -1.918 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.199 -2.132 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.239 -3.563 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.527 -3.634 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.466 -0.838 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.763 -2.292 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.963 -1.324 0.352 1.00 0.00 H new ATOM 135 N VAL A 10 -10.746 -1.404 -1.487 1.00 0.00 N ATOM 136 CA VAL A 10 -10.118 -0.488 -2.432 1.00 0.00 C ATOM 137 C VAL A 10 -9.416 0.647 -1.694 1.00 0.00 C ATOM 138 O VAL A 10 -9.995 1.274 -0.807 1.00 0.00 O ATOM 139 CB VAL A 10 -11.146 0.112 -3.412 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.446 0.922 -4.493 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.002 -0.985 -4.028 1.00 0.00 C ATOM 0 H VAL A 10 -11.612 -1.057 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.389 -1.066 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.801 0.782 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.188 1.337 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.883 1.733 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.765 0.277 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.721 -0.542 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.364 -1.683 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.535 -1.517 -3.240 1.00 0.00 H new ATOM 151 N VAL A 11 -8.164 0.904 -2.063 1.00 0.00 N ATOM 152 CA VAL A 11 -7.384 1.961 -1.432 1.00 0.00 C ATOM 153 C VAL A 11 -6.804 2.914 -2.475 1.00 0.00 C ATOM 154 O VAL A 11 -6.515 2.513 -3.602 1.00 0.00 O ATOM 155 CB VAL A 11 -6.240 1.376 -0.578 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.194 0.709 -1.457 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.612 2.456 0.287 1.00 0.00 C ATOM 0 H VAL A 11 -7.670 0.394 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.061 2.516 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.660 0.615 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.398 0.304 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.657 -0.099 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.777 1.443 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.807 2.024 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.210 3.244 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.368 2.876 0.950 1.00 0.00 H new ATOM 167 N ARG A 12 -6.640 4.177 -2.090 1.00 0.00 N ATOM 168 CA ARG A 12 -6.098 5.188 -2.993 1.00 0.00 C ATOM 169 C ARG A 12 -4.868 5.859 -2.389 1.00 0.00 C ATOM 170 O ARG A 12 -4.871 6.244 -1.219 1.00 0.00 O ATOM 171 CB ARG A 12 -7.160 6.240 -3.313 1.00 0.00 C ATOM 172 CG ARG A 12 -6.723 7.246 -4.366 1.00 0.00 C ATOM 173 CD ARG A 12 -7.804 8.281 -4.633 1.00 0.00 C ATOM 174 NE ARG A 12 -9.048 7.668 -5.091 1.00 0.00 N ATOM 175 CZ ARG A 12 -9.962 8.305 -5.817 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.767 9.566 -6.181 1.00 0.00 N ATOM 177 NH2 ARG A 12 -11.072 7.679 -6.183 1.00 0.00 N ATOM 0 H ARG A 12 -6.874 4.524 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.800 4.689 -3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.065 5.738 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.418 6.773 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.813 7.747 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.482 6.723 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.994 8.850 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.451 8.989 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.226 6.696 -4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.913 10.051 -5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.471 10.051 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.225 6.709 -5.908 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.773 8.168 -6.740 1.00 0.00 H new ATOM 191 N ALA A 13 -3.821 5.995 -3.196 1.00 0.00 N ATOM 192 CA ALA A 13 -2.580 6.617 -2.750 1.00 0.00 C ATOM 193 C ALA A 13 -2.803 8.062 -2.315 1.00 0.00 C ATOM 194 O ALA A 13 -3.471 8.833 -3.006 1.00 0.00 O ATOM 195 CB ALA A 13 -1.535 6.556 -3.853 1.00 0.00 C ATOM 0 H ALA A 13 -3.808 5.681 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.220 6.060 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.613 7.024 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.339 5.515 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.903 7.085 -4.732 1.00 0.00 H new ATOM 201 N LYS A 14 -2.241 8.421 -1.165 1.00 0.00 N ATOM 202 CA LYS A 14 -2.368 9.778 -0.641 1.00 0.00 C ATOM 203 C LYS A 14 -1.166 10.623 -1.043 1.00 0.00 C ATOM 204 O LYS A 14 -1.286 11.828 -1.262 1.00 0.00 O ATOM 205 CB LYS A 14 -2.492 9.756 0.884 1.00 0.00 C ATOM 206 CG LYS A 14 -3.733 9.038 1.388 1.00 0.00 C ATOM 207 CD LYS A 14 -3.900 9.200 2.891 1.00 0.00 C ATOM 208 CE LYS A 14 -2.802 8.480 3.660 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.990 8.587 5.132 1.00 0.00 N ATOM 0 H LYS A 14 -1.693 7.792 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.270 10.219 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.609 9.274 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.502 10.781 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.613 9.430 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.667 7.979 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.888 10.260 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.872 8.810 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.787 7.429 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.834 8.899 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.260 8.027 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.911 9.583 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.931 8.226 5.389 1.00 0.00 H new ATOM 223 N PHE A 15 -0.007 9.980 -1.136 1.00 0.00 N ATOM 224 CA PHE A 15 1.225 10.666 -1.509 1.00 0.00 C ATOM 225 C PHE A 15 1.993 9.859 -2.550 1.00 0.00 C ATOM 226 O PHE A 15 1.720 8.677 -2.757 1.00 0.00 O ATOM 227 CB PHE A 15 2.107 10.885 -0.276 1.00 0.00 C ATOM 228 CG PHE A 15 1.371 11.444 0.908 1.00 0.00 C ATOM 229 CD1 PHE A 15 0.948 12.764 0.920 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.104 10.648 2.012 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.271 13.279 2.009 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.428 11.159 3.104 1.00 0.00 C ATOM 233 CZ PHE A 15 0.011 12.476 3.102 1.00 0.00 C ATOM 0 H PHE A 15 0.105 8.982 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 15 0.960 11.633 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.562 9.935 0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.920 11.562 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.150 13.397 0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.428 9.618 2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.055 14.309 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.226 10.529 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.518 12.877 3.954 1.00 0.00 H new ATOM 243 N ASN A 16 2.955 10.503 -3.201 1.00 0.00 N ATOM 244 CA ASN A 16 3.764 9.839 -4.216 1.00 0.00 C ATOM 245 C ASN A 16 4.785 8.913 -3.565 1.00 0.00 C ATOM 246 O ASN A 16 5.337 9.227 -2.510 1.00 0.00 O ATOM 247 CB ASN A 16 4.478 10.871 -5.090 1.00 0.00 C ATOM 248 CG ASN A 16 5.449 11.728 -4.298 1.00 0.00 C ATOM 249 OD1 ASN A 16 6.627 11.393 -4.167 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.958 12.839 -3.764 1.00 0.00 N ATOM 0 H ASN A 16 3.193 11.482 -3.044 1.00 0.00 H new ATOM 0 HA ASN A 16 3.101 9.244 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.017 10.358 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.738 11.513 -5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.563 13.454 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.975 13.078 -3.898 1.00 0.00 H new ATOM 257 N PHE A 17 5.036 7.773 -4.200 1.00 0.00 N ATOM 258 CA PHE A 17 5.991 6.804 -3.677 1.00 0.00 C ATOM 259 C PHE A 17 6.788 6.162 -4.808 1.00 0.00 C ATOM 260 O PHE A 17 6.223 5.746 -5.819 1.00 0.00 O ATOM 261 CB PHE A 17 5.261 5.725 -2.876 1.00 0.00 C ATOM 262 CG PHE A 17 6.135 5.013 -1.884 1.00 0.00 C ATOM 263 CD1 PHE A 17 7.012 4.022 -2.294 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.079 5.337 -0.538 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.817 3.368 -1.381 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.880 4.687 0.379 1.00 0.00 C ATOM 267 CZ PHE A 17 7.751 3.700 -0.042 1.00 0.00 C ATOM 0 H PHE A 17 4.592 7.498 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 17 6.685 7.329 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.424 6.181 -2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.841 4.994 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.067 3.757 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.401 6.107 -0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.497 2.598 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.826 4.950 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.378 3.190 0.674 1.00 0.00 H new ATOM 277 N GLN A 18 8.105 6.089 -4.631 1.00 0.00 N ATOM 278 CA GLN A 18 8.980 5.498 -5.637 1.00 0.00 C ATOM 279 C GLN A 18 9.490 4.134 -5.183 1.00 0.00 C ATOM 280 O GLN A 18 9.641 3.883 -3.987 1.00 0.00 O ATOM 281 CB GLN A 18 10.163 6.426 -5.932 1.00 0.00 C ATOM 282 CG GLN A 18 11.133 6.574 -4.770 1.00 0.00 C ATOM 283 CD GLN A 18 10.538 7.334 -3.601 1.00 0.00 C ATOM 284 OE1 GLN A 18 9.695 8.213 -3.780 1.00 0.00 O ATOM 285 NE2 GLN A 18 10.972 6.994 -2.393 1.00 0.00 N ATOM 0 H GLN A 18 8.588 6.432 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 18 8.399 5.364 -6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.704 6.045 -6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.782 7.411 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.444 5.585 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.029 7.090 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.672 6.259 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.605 7.468 -1.567 1.00 0.00 H new ATOM 294 N GLN A 19 9.758 3.260 -6.147 1.00 0.00 N ATOM 295 CA GLN A 19 10.248 1.919 -5.851 1.00 0.00 C ATOM 296 C GLN A 19 11.714 1.771 -6.247 1.00 0.00 C ATOM 297 O GLN A 19 12.163 2.357 -7.231 1.00 0.00 O ATOM 298 CB GLN A 19 9.407 0.877 -6.594 1.00 0.00 C ATOM 299 CG GLN A 19 9.612 0.893 -8.101 1.00 0.00 C ATOM 300 CD GLN A 19 8.782 -0.155 -8.816 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.475 -1.207 -8.258 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.418 0.126 -10.062 1.00 0.00 N ATOM 0 H GLN A 19 9.644 3.457 -7.141 1.00 0.00 H new ATOM 0 HA GLN A 19 10.162 1.758 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.652 -0.114 -6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.353 1.051 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.356 1.879 -8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.667 0.728 -8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.694 1.011 -10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.862 -0.543 -10.594 1.00 0.00 H new ATOM 311 N THR A 20 12.458 0.987 -5.471 1.00 0.00 N ATOM 312 CA THR A 20 13.867 0.752 -5.755 1.00 0.00 C ATOM 313 C THR A 20 14.020 -0.351 -6.794 1.00 0.00 C ATOM 314 O THR A 20 14.996 -0.384 -7.545 1.00 0.00 O ATOM 315 CB THR A 20 14.645 0.361 -4.484 1.00 0.00 C ATOM 316 OG1 THR A 20 14.061 -0.804 -3.891 1.00 0.00 O ATOM 317 CG2 THR A 20 14.646 1.503 -3.479 1.00 0.00 C ATOM 0 H THR A 20 12.108 0.506 -4.643 1.00 0.00 H new ATOM 0 HA THR A 20 14.280 1.684 -6.141 1.00 0.00 H new ATOM 0 HB THR A 20 15.676 0.145 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.143 -0.751 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.201 1.204 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.118 2.379 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.620 1.745 -3.202 1.00 0.00 H new ATOM 325 N ASN A 21 13.043 -1.250 -6.828 1.00 0.00 N ATOM 326 CA ASN A 21 13.045 -2.359 -7.774 1.00 0.00 C ATOM 327 C ASN A 21 11.617 -2.810 -8.067 1.00 0.00 C ATOM 328 O ASN A 21 10.689 -2.475 -7.330 1.00 0.00 O ATOM 329 CB ASN A 21 13.862 -3.530 -7.223 1.00 0.00 C ATOM 330 CG ASN A 21 14.069 -4.624 -8.252 1.00 0.00 C ATOM 331 OD1 ASN A 21 13.261 -5.543 -8.370 1.00 0.00 O ATOM 332 ND2 ASN A 21 15.159 -4.528 -9.007 1.00 0.00 N ATOM 0 H ASN A 21 12.234 -1.232 -6.207 1.00 0.00 H new ATOM 0 HA ASN A 21 13.503 -2.018 -8.702 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.832 -3.165 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.355 -3.945 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.351 -5.234 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.803 -3.748 -8.876 1.00 0.00 H new ATOM 339 N GLU A 22 11.445 -3.569 -9.146 1.00 0.00 N ATOM 340 CA GLU A 22 10.127 -4.062 -9.534 1.00 0.00 C ATOM 341 C GLU A 22 9.543 -4.978 -8.459 1.00 0.00 C ATOM 342 O GLU A 22 8.343 -5.256 -8.453 1.00 0.00 O ATOM 343 CB GLU A 22 10.217 -4.812 -10.866 1.00 0.00 C ATOM 344 CG GLU A 22 8.867 -5.241 -11.418 1.00 0.00 C ATOM 345 CD GLU A 22 8.982 -5.958 -12.749 1.00 0.00 C ATOM 346 OE1 GLU A 22 8.947 -5.278 -13.796 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.106 -7.202 -12.745 1.00 0.00 O ATOM 0 H GLU A 22 12.202 -3.856 -9.767 1.00 0.00 H new ATOM 0 HA GLU A 22 9.465 -3.204 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.713 -4.175 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.843 -5.695 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.376 -5.896 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.231 -4.363 -11.536 1.00 0.00 H new ATOM 354 N ASP A 23 10.398 -5.444 -7.551 1.00 0.00 N ATOM 355 CA ASP A 23 9.964 -6.332 -6.475 1.00 0.00 C ATOM 356 C ASP A 23 8.873 -5.681 -5.629 1.00 0.00 C ATOM 357 O ASP A 23 7.967 -6.358 -5.143 1.00 0.00 O ATOM 358 CB ASP A 23 11.150 -6.718 -5.587 1.00 0.00 C ATOM 359 CG ASP A 23 12.160 -7.584 -6.313 1.00 0.00 C ATOM 360 OD1 ASP A 23 11.763 -8.640 -6.849 1.00 0.00 O ATOM 361 OD2 ASP A 23 13.351 -7.208 -6.346 1.00 0.00 O ATOM 0 H ASP A 23 11.393 -5.222 -7.539 1.00 0.00 H new ATOM 0 HA ASP A 23 9.553 -7.232 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.642 -5.813 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.784 -7.250 -4.709 1.00 0.00 H new ATOM 366 N GLU A 24 8.966 -4.366 -5.457 1.00 0.00 N ATOM 367 CA GLU A 24 7.982 -3.629 -4.672 1.00 0.00 C ATOM 368 C GLU A 24 6.943 -2.984 -5.586 1.00 0.00 C ATOM 369 O GLU A 24 7.137 -2.906 -6.799 1.00 0.00 O ATOM 370 CB GLU A 24 8.672 -2.561 -3.820 1.00 0.00 C ATOM 371 CG GLU A 24 7.796 -2.007 -2.708 1.00 0.00 C ATOM 372 CD GLU A 24 8.508 -0.968 -1.866 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.205 -1.359 -0.905 1.00 0.00 O ATOM 374 OE2 GLU A 24 8.370 0.236 -2.165 1.00 0.00 O ATOM 0 H GLU A 24 9.711 -3.790 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 24 7.474 -4.331 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.575 -2.986 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.986 -1.741 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.900 -1.564 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.468 -2.826 -2.067 1.00 0.00 H new ATOM 381 N LEU A 25 5.840 -2.529 -5.001 1.00 0.00 N ATOM 382 CA LEU A 25 4.771 -1.900 -5.771 1.00 0.00 C ATOM 383 C LEU A 25 4.869 -0.378 -5.715 1.00 0.00 C ATOM 384 O LEU A 25 4.745 0.222 -4.647 1.00 0.00 O ATOM 385 CB LEU A 25 3.405 -2.357 -5.247 1.00 0.00 C ATOM 386 CG LEU A 25 2.203 -1.984 -6.121 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.064 -2.967 -5.899 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.738 -0.566 -5.827 1.00 0.00 C ATOM 0 H LEU A 25 5.662 -2.583 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 25 4.880 -2.208 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.424 -3.441 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.256 -1.932 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 25 2.513 -2.033 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.217 -2.690 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.395 -3.972 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.763 -2.944 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.884 -0.325 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.447 -0.488 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.549 0.133 -6.031 1.00 0.00 H new ATOM 400 N SER A 26 5.093 0.238 -6.872 1.00 0.00 N ATOM 401 CA SER A 26 5.186 1.691 -6.961 1.00 0.00 C ATOM 402 C SER A 26 3.819 2.275 -7.296 1.00 0.00 C ATOM 403 O SER A 26 2.969 1.588 -7.863 1.00 0.00 O ATOM 404 CB SER A 26 6.207 2.100 -8.024 1.00 0.00 C ATOM 405 OG SER A 26 5.824 1.632 -9.306 1.00 0.00 O ATOM 0 H SER A 26 5.213 -0.247 -7.761 1.00 0.00 H new ATOM 0 HA SER A 26 5.517 2.081 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.302 3.186 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.187 1.699 -7.765 1.00 0.00 H new ATOM 0 HG SER A 26 6.492 1.908 -9.968 1.00 0.00 H new ATOM 411 N PHE A 27 3.605 3.540 -6.951 1.00 0.00 N ATOM 412 CA PHE A 27 2.323 4.181 -7.223 1.00 0.00 C ATOM 413 C PHE A 27 2.406 5.698 -7.121 1.00 0.00 C ATOM 414 O PHE A 27 3.394 6.253 -6.639 1.00 0.00 O ATOM 415 CB PHE A 27 1.263 3.661 -6.250 1.00 0.00 C ATOM 416 CG PHE A 27 1.665 3.763 -4.806 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.535 4.960 -4.117 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.169 2.661 -4.134 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.901 5.054 -2.788 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.538 2.750 -2.805 1.00 0.00 C ATOM 421 CZ PHE A 27 2.403 3.948 -2.132 1.00 0.00 C ATOM 0 H PHE A 27 4.292 4.135 -6.489 1.00 0.00 H new ATOM 0 HA PHE A 27 2.046 3.931 -8.247 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.339 4.220 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.047 2.619 -6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.143 5.829 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.275 1.721 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.794 5.992 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.931 1.884 -2.294 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.690 4.020 -1.093 1.00 0.00 H new ATOM 431 N SER A 28 1.349 6.357 -7.584 1.00 0.00 N ATOM 432 CA SER A 28 1.263 7.810 -7.548 1.00 0.00 C ATOM 433 C SER A 28 -0.107 8.241 -7.034 1.00 0.00 C ATOM 434 O SER A 28 -1.109 7.577 -7.295 1.00 0.00 O ATOM 435 CB SER A 28 1.510 8.395 -8.939 1.00 0.00 C ATOM 436 OG SER A 28 1.418 9.809 -8.922 1.00 0.00 O ATOM 0 H SER A 28 0.533 5.901 -7.992 1.00 0.00 H new ATOM 0 HA SER A 28 2.030 8.187 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.497 8.096 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.783 7.989 -9.642 1.00 0.00 H new ATOM 0 HG SER A 28 1.582 10.158 -9.823 1.00 0.00 H new ATOM 442 N LYS A 29 -0.137 9.345 -6.295 1.00 0.00 N ATOM 443 CA LYS A 29 -1.381 9.871 -5.736 1.00 0.00 C ATOM 444 C LYS A 29 -2.516 9.822 -6.759 1.00 0.00 C ATOM 445 O LYS A 29 -2.486 10.529 -7.767 1.00 0.00 O ATOM 446 CB LYS A 29 -1.166 11.310 -5.254 1.00 0.00 C ATOM 447 CG LYS A 29 -2.277 11.839 -4.358 1.00 0.00 C ATOM 448 CD LYS A 29 -3.468 12.334 -5.165 1.00 0.00 C ATOM 449 CE LYS A 29 -4.494 13.021 -4.277 1.00 0.00 C ATOM 450 NZ LYS A 29 -5.662 13.513 -5.059 1.00 0.00 N ATOM 0 H LYS A 29 0.690 9.897 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.666 9.244 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.221 11.363 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.073 11.962 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.601 11.051 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.892 12.652 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.126 13.028 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.935 11.494 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.836 12.325 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.025 13.858 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.339 13.975 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.339 14.197 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.125 12.711 -5.532 1.00 0.00 H new ATOM 464 N GLY A 30 -3.516 8.981 -6.493 1.00 0.00 N ATOM 465 CA GLY A 30 -4.649 8.867 -7.395 1.00 0.00 C ATOM 466 C GLY A 30 -4.858 7.454 -7.911 1.00 0.00 C ATOM 467 O GLY A 30 -5.991 7.039 -8.158 1.00 0.00 O ATOM 0 H GLY A 30 -3.560 8.379 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.551 9.197 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.502 9.539 -8.241 1.00 0.00 H new ATOM 471 N ASP A 31 -3.765 6.716 -8.075 1.00 0.00 N ATOM 472 CA ASP A 31 -3.827 5.344 -8.573 1.00 0.00 C ATOM 473 C ASP A 31 -4.690 4.464 -7.670 1.00 0.00 C ATOM 474 O ASP A 31 -4.601 4.536 -6.443 1.00 0.00 O ATOM 475 CB ASP A 31 -2.418 4.760 -8.679 1.00 0.00 C ATOM 476 CG ASP A 31 -1.898 4.251 -7.351 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.754 5.067 -6.418 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.631 3.037 -7.244 1.00 0.00 O ATOM 0 H ASP A 31 -2.822 7.045 -7.870 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.285 5.366 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.420 3.944 -9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.740 5.523 -9.062 1.00 0.00 H new ATOM 483 N VAL A 32 -5.528 3.635 -8.289 1.00 0.00 N ATOM 484 CA VAL A 32 -6.405 2.733 -7.550 1.00 0.00 C ATOM 485 C VAL A 32 -5.754 1.364 -7.368 1.00 0.00 C ATOM 486 O VAL A 32 -5.486 0.661 -8.343 1.00 0.00 O ATOM 487 CB VAL A 32 -7.760 2.556 -8.261 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.663 1.616 -7.475 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.434 3.903 -8.469 1.00 0.00 C ATOM 0 H VAL A 32 -5.617 3.570 -9.303 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.575 3.186 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.578 2.110 -9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.614 1.506 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.183 0.641 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.839 2.027 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.390 3.758 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.602 4.379 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.795 4.539 -9.081 1.00 0.00 H new ATOM 499 N ILE A 33 -5.508 0.990 -6.118 1.00 0.00 N ATOM 500 CA ILE A 33 -4.889 -0.296 -5.813 1.00 0.00 C ATOM 501 C ILE A 33 -5.885 -1.246 -5.154 1.00 0.00 C ATOM 502 O ILE A 33 -6.537 -0.893 -4.170 1.00 0.00 O ATOM 503 CB ILE A 33 -3.669 -0.127 -4.886 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.640 0.807 -5.525 1.00 0.00 C ATOM 505 CG2 ILE A 33 -3.042 -1.480 -4.578 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.519 1.207 -4.590 1.00 0.00 C ATOM 0 H ILE A 33 -5.727 1.558 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.560 -0.720 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.005 0.317 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.214 0.319 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.147 1.706 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.182 -1.342 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.776 -2.117 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.719 -1.951 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.828 1.869 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.934 1.725 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.986 0.316 -4.258 1.00 0.00 H new ATOM 518 N HIS A 34 -5.997 -2.451 -5.704 1.00 0.00 N ATOM 519 CA HIS A 34 -6.908 -3.457 -5.167 1.00 0.00 C ATOM 520 C HIS A 34 -6.180 -4.367 -4.184 1.00 0.00 C ATOM 521 O HIS A 34 -5.334 -5.170 -4.575 1.00 0.00 O ATOM 522 CB HIS A 34 -7.510 -4.288 -6.301 1.00 0.00 C ATOM 523 CG HIS A 34 -8.372 -3.492 -7.230 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.976 -3.130 -8.501 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.618 -2.988 -7.069 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.940 -2.437 -9.080 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.947 -2.336 -8.231 1.00 0.00 N ATOM 0 H HIS A 34 -5.468 -2.755 -6.522 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.712 -2.945 -4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.703 -4.749 -6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.101 -5.098 -5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.238 -3.082 -6.190 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.910 -2.024 -10.077 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.827 -1.852 -8.410 1.00 0.00 H new ATOM 536 N VAL A 35 -6.518 -4.237 -2.905 1.00 0.00 N ATOM 537 CA VAL A 35 -5.889 -5.040 -1.865 1.00 0.00 C ATOM 538 C VAL A 35 -6.400 -6.476 -1.884 1.00 0.00 C ATOM 539 O VAL A 35 -7.597 -6.721 -2.036 1.00 0.00 O ATOM 540 CB VAL A 35 -6.133 -4.441 -0.468 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.296 -5.159 0.579 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.838 -2.949 -0.468 1.00 0.00 C ATOM 0 H VAL A 35 -7.224 -3.583 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.819 -5.038 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.184 -4.580 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.484 -4.720 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.564 -6.215 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.239 -5.057 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.016 -2.543 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.797 -2.784 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.489 -2.449 -1.185 1.00 0.00 H new ATOM 552 N THR A 36 -5.482 -7.424 -1.729 1.00 0.00 N ATOM 553 CA THR A 36 -5.833 -8.838 -1.722 1.00 0.00 C ATOM 554 C THR A 36 -5.500 -9.472 -0.375 1.00 0.00 C ATOM 555 O THR A 36 -5.909 -10.597 -0.088 1.00 0.00 O ATOM 556 CB THR A 36 -5.098 -9.605 -2.837 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.683 -9.549 -2.620 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.428 -9.020 -4.203 1.00 0.00 C ATOM 0 H THR A 36 -4.487 -7.237 -1.606 1.00 0.00 H new ATOM 0 HA THR A 36 -6.907 -8.903 -1.899 1.00 0.00 H new ATOM 0 HB THR A 36 -5.429 -10.643 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.223 -10.040 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.898 -9.577 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.502 -9.089 -4.378 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.121 -7.975 -4.235 1.00 0.00 H new ATOM 566 N ARG A 37 -4.761 -8.733 0.450 1.00 0.00 N ATOM 567 CA ARG A 37 -4.368 -9.210 1.772 1.00 0.00 C ATOM 568 C ARG A 37 -4.240 -8.044 2.748 1.00 0.00 C ATOM 569 O ARG A 37 -3.489 -7.100 2.505 1.00 0.00 O ATOM 570 CB ARG A 37 -3.038 -9.965 1.697 1.00 0.00 C ATOM 571 CG ARG A 37 -3.093 -11.229 0.855 1.00 0.00 C ATOM 572 CD ARG A 37 -1.733 -11.901 0.770 1.00 0.00 C ATOM 573 NE ARG A 37 -1.762 -13.095 -0.070 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.681 -13.806 -0.379 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.510 -13.446 0.081 1.00 0.00 N ATOM 576 NH2 ARG A 37 -0.790 -14.879 -1.151 1.00 0.00 N ATOM 0 H ARG A 37 -4.422 -7.798 0.224 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.143 -9.888 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.277 -9.301 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.723 -10.227 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.816 -11.922 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.442 -10.984 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.005 -11.195 0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.399 -12.171 1.772 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.662 -13.401 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.600 -12.621 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.336 -13.994 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.703 -15.160 -1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.039 -15.424 -1.387 1.00 0.00 H new ATOM 590 N VAL A 38 -4.979 -8.116 3.851 1.00 0.00 N ATOM 591 CA VAL A 38 -4.949 -7.066 4.862 1.00 0.00 C ATOM 592 C VAL A 38 -4.376 -7.586 6.176 1.00 0.00 C ATOM 593 O VAL A 38 -4.786 -8.636 6.669 1.00 0.00 O ATOM 594 CB VAL A 38 -6.356 -6.492 5.120 1.00 0.00 C ATOM 595 CG1 VAL A 38 -6.284 -5.288 6.050 1.00 0.00 C ATOM 596 CG2 VAL A 38 -7.033 -6.121 3.809 1.00 0.00 C ATOM 0 H VAL A 38 -5.606 -8.891 4.067 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.308 -6.274 4.476 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.955 -7.262 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.288 -4.898 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.847 -5.589 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.666 -4.514 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.025 -5.718 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.436 -5.371 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.124 -7.008 3.183 1.00 0.00 H new ATOM 606 N GLU A 39 -3.429 -6.841 6.739 1.00 0.00 N ATOM 607 CA GLU A 39 -2.797 -7.225 7.996 1.00 0.00 C ATOM 608 C GLU A 39 -2.555 -6.003 8.876 1.00 0.00 C ATOM 609 O GLU A 39 -2.353 -4.897 8.376 1.00 0.00 O ATOM 610 CB GLU A 39 -1.474 -7.946 7.729 1.00 0.00 C ATOM 611 CG GLU A 39 -1.642 -9.326 7.112 1.00 0.00 C ATOM 612 CD GLU A 39 -2.293 -10.314 8.059 1.00 0.00 C ATOM 613 OE1 GLU A 39 -1.580 -10.872 8.920 1.00 0.00 O ATOM 614 OE2 GLU A 39 -3.518 -10.533 7.942 1.00 0.00 O ATOM 0 H GLU A 39 -3.082 -5.967 6.344 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.471 -7.903 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.864 -7.333 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.927 -8.041 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.245 -9.244 6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.666 -9.706 6.811 1.00 0.00 H new ATOM 621 N GLU A 40 -2.578 -6.211 10.189 1.00 0.00 N ATOM 622 CA GLU A 40 -2.360 -5.125 11.139 1.00 0.00 C ATOM 623 C GLU A 40 -0.870 -4.869 11.342 1.00 0.00 C ATOM 624 O GLU A 40 -0.174 -5.666 11.970 1.00 0.00 O ATOM 625 CB GLU A 40 -3.022 -5.450 12.479 1.00 0.00 C ATOM 626 CG GLU A 40 -4.529 -5.627 12.387 1.00 0.00 C ATOM 627 CD GLU A 40 -5.233 -4.378 11.892 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.522 -3.491 12.722 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.496 -4.288 10.675 1.00 0.00 O ATOM 0 H GLU A 40 -2.745 -7.121 10.619 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.812 -4.222 10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.581 -6.363 12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.801 -4.651 13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.754 -6.456 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.920 -5.896 13.368 1.00 0.00 H new ATOM 636 N GLY A 41 -0.391 -3.752 10.806 1.00 0.00 N ATOM 637 CA GLY A 41 1.013 -3.406 10.936 1.00 0.00 C ATOM 638 C GLY A 41 1.382 -2.176 10.133 1.00 0.00 C ATOM 639 O GLY A 41 2.340 -1.476 10.464 1.00 0.00 O ATOM 0 H GLY A 41 -0.951 -3.079 10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.246 -3.234 11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.623 -4.247 10.608 1.00 0.00 H new ATOM 643 N GLY A 42 0.620 -1.910 9.077 1.00 0.00 N ATOM 644 CA GLY A 42 0.885 -0.754 8.243 1.00 0.00 C ATOM 645 C GLY A 42 1.355 -1.130 6.852 1.00 0.00 C ATOM 646 O GLY A 42 1.785 -0.271 6.084 1.00 0.00 O ATOM 0 H GLY A 42 -0.177 -2.475 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.020 -0.152 8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.641 -0.132 8.722 1.00 0.00 H new ATOM 650 N TRP A 43 1.269 -2.414 6.519 1.00 0.00 N ATOM 651 CA TRP A 43 1.696 -2.887 5.206 1.00 0.00 C ATOM 652 C TRP A 43 0.647 -3.788 4.566 1.00 0.00 C ATOM 653 O TRP A 43 0.253 -4.805 5.138 1.00 0.00 O ATOM 654 CB TRP A 43 3.025 -3.635 5.316 1.00 0.00 C ATOM 655 CG TRP A 43 4.222 -2.742 5.200 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.010 -2.287 6.218 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.765 -2.195 3.994 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.013 -1.492 5.717 1.00 0.00 N ATOM 659 CE2 TRP A 43 5.884 -1.420 4.355 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.415 -2.285 2.642 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.657 -0.742 3.416 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.185 -1.609 1.710 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.294 -0.849 2.101 1.00 0.00 C ATOM 0 H TRP A 43 0.910 -3.142 7.136 1.00 0.00 H new ATOM 0 HA TRP A 43 1.825 -2.012 4.568 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.062 -4.157 6.272 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.071 -4.395 4.536 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.866 -2.518 7.263 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.736 -1.031 6.269 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.562 -2.870 2.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.512 -0.153 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.925 -1.669 0.663 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.875 -0.336 1.349 1.00 0.00 H new ATOM 674 N TRP A 44 0.204 -3.406 3.372 1.00 0.00 N ATOM 675 CA TRP A 44 -0.794 -4.175 2.637 1.00 0.00 C ATOM 676 C TRP A 44 -0.297 -4.503 1.231 1.00 0.00 C ATOM 677 O TRP A 44 0.496 -3.759 0.656 1.00 0.00 O ATOM 678 CB TRP A 44 -2.112 -3.400 2.541 1.00 0.00 C ATOM 679 CG TRP A 44 -2.817 -3.219 3.854 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.690 -3.988 4.975 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.777 -2.204 4.171 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.506 -3.509 5.971 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.184 -2.414 5.502 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.328 -1.136 3.459 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.117 -1.597 6.134 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.255 -0.324 4.086 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.641 -0.559 5.412 1.00 0.00 C ATOM 0 H TRP A 44 0.522 -2.565 2.891 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.964 -5.104 3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.913 -2.419 2.110 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.778 -3.921 1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.042 -4.848 5.066 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.593 -3.904 6.907 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.035 -0.948 2.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.416 -1.776 7.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.688 0.504 3.545 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.368 0.093 5.874 1.00 0.00 H new ATOM 698 N GLU A 45 -0.765 -5.622 0.689 1.00 0.00 N ATOM 699 CA GLU A 45 -0.381 -6.046 -0.653 1.00 0.00 C ATOM 700 C GLU A 45 -1.549 -5.880 -1.623 1.00 0.00 C ATOM 701 O GLU A 45 -2.697 -6.165 -1.278 1.00 0.00 O ATOM 702 CB GLU A 45 0.080 -7.506 -0.638 1.00 0.00 C ATOM 703 CG GLU A 45 0.574 -8.003 -1.986 1.00 0.00 C ATOM 704 CD GLU A 45 0.958 -9.470 -1.963 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.066 -10.320 -2.169 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.149 -9.769 -1.741 1.00 0.00 O ATOM 0 H GLU A 45 -1.413 -6.254 1.160 1.00 0.00 H new ATOM 0 HA GLU A 45 0.444 -5.417 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.878 -7.618 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.747 -8.136 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.204 -7.847 -2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.436 -7.411 -2.294 1.00 0.00 H new ATOM 713 N GLY A 46 -1.253 -5.417 -2.836 1.00 0.00 N ATOM 714 CA GLY A 46 -2.297 -5.219 -3.828 1.00 0.00 C ATOM 715 C GLY A 46 -1.796 -5.387 -5.250 1.00 0.00 C ATOM 716 O GLY A 46 -0.663 -5.816 -5.470 1.00 0.00 O ATOM 0 H GLY A 46 -0.312 -5.176 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.104 -5.928 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.718 -4.220 -3.711 1.00 0.00 H new ATOM 720 N THR A 47 -2.646 -5.050 -6.217 1.00 0.00 N ATOM 721 CA THR A 47 -2.290 -5.164 -7.627 1.00 0.00 C ATOM 722 C THR A 47 -2.620 -3.880 -8.385 1.00 0.00 C ATOM 723 O THR A 47 -3.575 -3.178 -8.052 1.00 0.00 O ATOM 724 CB THR A 47 -3.019 -6.348 -8.295 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.693 -7.568 -7.618 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.641 -6.466 -9.766 1.00 0.00 C ATOM 0 H THR A 47 -3.587 -4.695 -6.048 1.00 0.00 H new ATOM 0 HA THR A 47 -1.215 -5.339 -7.670 1.00 0.00 H new ATOM 0 HB THR A 47 -4.091 -6.165 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.161 -8.315 -8.047 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.170 -7.309 -10.211 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.916 -5.549 -10.287 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.566 -6.625 -9.854 1.00 0.00 H new ATOM 734 N LEU A 48 -1.819 -3.583 -9.404 1.00 0.00 N ATOM 735 CA LEU A 48 -2.019 -2.390 -10.220 1.00 0.00 C ATOM 736 C LEU A 48 -1.524 -2.631 -11.643 1.00 0.00 C ATOM 737 O LEU A 48 -0.769 -3.572 -11.895 1.00 0.00 O ATOM 738 CB LEU A 48 -1.290 -1.193 -9.599 1.00 0.00 C ATOM 739 CG LEU A 48 -1.552 0.158 -10.274 1.00 0.00 C ATOM 740 CD1 LEU A 48 -3.023 0.531 -10.173 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.684 1.240 -9.650 1.00 0.00 C ATOM 0 H LEU A 48 -1.022 -4.155 -9.685 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.086 -2.168 -10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.578 -1.118 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.218 -1.390 -9.622 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.292 0.071 -11.329 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.189 1.493 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.626 -0.232 -10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.310 0.600 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.882 2.193 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.914 1.324 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.367 0.980 -9.774 1.00 0.00 H new ATOM 753 N ASN A 49 -1.958 -1.784 -12.571 1.00 0.00 N ATOM 754 CA ASN A 49 -1.566 -1.911 -13.972 1.00 0.00 C ATOM 755 C ASN A 49 -0.047 -1.900 -14.133 1.00 0.00 C ATOM 756 O ASN A 49 0.603 -0.869 -13.956 1.00 0.00 O ATOM 757 CB ASN A 49 -2.188 -0.786 -14.802 1.00 0.00 C ATOM 758 CG ASN A 49 -1.896 0.588 -14.231 1.00 0.00 C ATOM 759 OD1 ASN A 49 -0.907 1.227 -14.592 1.00 0.00 O ATOM 760 ND2 ASN A 49 -2.757 1.050 -13.333 1.00 0.00 N ATOM 0 H ASN A 49 -2.582 -1.001 -12.378 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.936 -2.871 -14.333 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.809 -0.840 -15.822 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.267 -0.932 -14.855 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.612 1.968 -12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.563 0.487 -13.063 1.00 0.00 H new ATOM 767 N GLY A 50 0.512 -3.062 -14.463 1.00 0.00 N ATOM 768 CA GLY A 50 1.948 -3.176 -14.657 1.00 0.00 C ATOM 769 C GLY A 50 2.739 -3.029 -13.371 1.00 0.00 C ATOM 770 O GLY A 50 3.969 -3.085 -13.385 1.00 0.00 O ATOM 0 H GLY A 50 -0.006 -3.930 -14.600 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.172 -4.144 -15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.274 -2.414 -15.365 1.00 0.00 H new ATOM 774 N ARG A 51 2.038 -2.843 -12.258 1.00 0.00 N ATOM 775 CA ARG A 51 2.691 -2.687 -10.964 1.00 0.00 C ATOM 776 C ARG A 51 2.042 -3.581 -9.915 1.00 0.00 C ATOM 777 O ARG A 51 0.871 -3.413 -9.579 1.00 0.00 O ATOM 778 CB ARG A 51 2.636 -1.227 -10.516 1.00 0.00 C ATOM 779 CG ARG A 51 3.347 -0.275 -11.465 1.00 0.00 C ATOM 780 CD ARG A 51 3.183 1.172 -11.033 1.00 0.00 C ATOM 781 NE ARG A 51 3.829 2.097 -11.960 1.00 0.00 N ATOM 782 CZ ARG A 51 3.685 3.418 -11.907 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.914 3.968 -10.980 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.313 4.191 -12.783 1.00 0.00 N ATOM 0 H ARG A 51 1.020 -2.797 -12.226 1.00 0.00 H new ATOM 0 HA ARG A 51 3.733 -2.987 -11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.594 -0.923 -10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.083 -1.142 -9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.407 -0.525 -11.506 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.951 -0.402 -12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.122 1.411 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.606 1.303 -10.037 1.00 0.00 H new ATOM 0 HE ARG A 51 4.425 1.707 -12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.429 3.378 -10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.806 4.982 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.907 3.772 -13.499 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.202 5.204 -12.741 1.00 0.00 H new ATOM 798 N THR A 52 2.813 -4.533 -9.398 1.00 0.00 N ATOM 799 CA THR A 52 2.313 -5.457 -8.388 1.00 0.00 C ATOM 800 C THR A 52 3.331 -5.649 -7.267 1.00 0.00 C ATOM 801 O THR A 52 4.538 -5.678 -7.509 1.00 0.00 O ATOM 802 CB THR A 52 1.978 -6.828 -9.004 1.00 0.00 C ATOM 803 OG1 THR A 52 1.099 -6.661 -10.123 1.00 0.00 O ATOM 804 CG2 THR A 52 1.326 -7.740 -7.975 1.00 0.00 C ATOM 0 H THR A 52 3.786 -4.684 -9.663 1.00 0.00 H new ATOM 0 HA THR A 52 1.404 -5.019 -7.977 1.00 0.00 H new ATOM 0 HB THR A 52 2.908 -7.288 -9.337 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.892 -7.537 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.099 -8.702 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.007 -7.889 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.404 -7.283 -7.616 1.00 0.00 H new ATOM 812 N GLY A 53 2.833 -5.781 -6.041 1.00 0.00 N ATOM 813 CA GLY A 53 3.708 -5.969 -4.898 1.00 0.00 C ATOM 814 C GLY A 53 3.153 -5.341 -3.635 1.00 0.00 C ATOM 815 O GLY A 53 1.974 -4.992 -3.574 1.00 0.00 O ATOM 0 H GLY A 53 1.838 -5.761 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.861 -7.035 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.684 -5.537 -5.117 1.00 0.00 H new ATOM 819 N TRP A 54 4.005 -5.197 -2.625 1.00 0.00 N ATOM 820 CA TRP A 54 3.596 -4.610 -1.354 1.00 0.00 C ATOM 821 C TRP A 54 3.595 -3.084 -1.420 1.00 0.00 C ATOM 822 O TRP A 54 4.333 -2.485 -2.204 1.00 0.00 O ATOM 823 CB TRP A 54 4.526 -5.081 -0.233 1.00 0.00 C ATOM 824 CG TRP A 54 4.425 -6.549 0.044 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.121 -7.550 -0.572 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.578 -7.183 1.009 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.759 -8.768 -0.048 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.813 -8.569 0.923 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.644 -6.715 1.937 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.149 -9.488 1.733 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.985 -7.628 2.739 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.239 -9.001 2.631 1.00 0.00 C ATOM 0 H TRP A 54 4.984 -5.479 -2.662 1.00 0.00 H new ATOM 0 HA TRP A 54 2.579 -4.941 -1.145 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.555 -4.839 -0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.293 -4.530 0.678 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.849 -7.405 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.133 -9.672 -0.335 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.440 -5.658 2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.346 -10.547 1.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.262 -7.277 3.461 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.706 -9.689 3.270 1.00 0.00 H new ATOM 843 N PHE A 55 2.757 -2.466 -0.593 1.00 0.00 N ATOM 844 CA PHE A 55 2.658 -1.011 -0.541 1.00 0.00 C ATOM 845 C PHE A 55 2.237 -0.556 0.858 1.00 0.00 C ATOM 846 O PHE A 55 1.483 -1.252 1.538 1.00 0.00 O ATOM 847 CB PHE A 55 1.668 -0.497 -1.590 1.00 0.00 C ATOM 848 CG PHE A 55 0.242 -0.893 -1.332 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.243 -2.115 -1.765 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.613 -0.038 -0.656 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.556 -2.478 -1.527 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.925 -0.395 -0.415 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.397 -1.616 -0.851 1.00 0.00 C ATOM 0 H PHE A 55 2.135 -2.952 0.052 1.00 0.00 H new ATOM 0 HA PHE A 55 3.640 -0.593 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.730 0.590 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.966 -0.871 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.411 -2.792 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.249 0.919 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.923 -3.434 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.581 0.281 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.423 -1.897 -0.664 1.00 0.00 H new ATOM 863 N PRO A 56 2.723 0.616 1.310 1.00 0.00 N ATOM 864 CA PRO A 56 2.396 1.146 2.641 1.00 0.00 C ATOM 865 C PRO A 56 0.894 1.236 2.884 1.00 0.00 C ATOM 866 O PRO A 56 0.108 1.331 1.943 1.00 0.00 O ATOM 867 CB PRO A 56 3.020 2.544 2.636 1.00 0.00 C ATOM 868 CG PRO A 56 4.106 2.474 1.621 1.00 0.00 C ATOM 869 CD PRO A 56 3.622 1.520 0.566 1.00 0.00 C ATOM 0 HA PRO A 56 2.772 0.499 3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.284 3.304 2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.413 2.805 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.307 3.457 1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.036 2.123 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.096 2.040 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.447 0.977 0.106 1.00 0.00 H new ATOM 877 N SER A 57 0.506 1.205 4.155 1.00 0.00 N ATOM 878 CA SER A 57 -0.900 1.290 4.533 1.00 0.00 C ATOM 879 C SER A 57 -1.185 2.612 5.237 1.00 0.00 C ATOM 880 O SER A 57 -2.301 3.129 5.182 1.00 0.00 O ATOM 881 CB SER A 57 -1.283 0.125 5.444 1.00 0.00 C ATOM 882 OG SER A 57 -2.632 0.226 5.861 1.00 0.00 O ATOM 0 H SER A 57 1.148 1.121 4.943 1.00 0.00 H new ATOM 0 HA SER A 57 -1.499 1.237 3.624 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.132 -0.817 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.630 0.111 6.316 1.00 0.00 H new ATOM 0 HG SER A 57 -3.153 -0.501 5.461 1.00 0.00 H new ATOM 888 N ASN A 58 -0.167 3.151 5.900 1.00 0.00 N ATOM 889 CA ASN A 58 -0.300 4.418 6.608 1.00 0.00 C ATOM 890 C ASN A 58 -0.095 5.581 5.645 1.00 0.00 C ATOM 891 O ASN A 58 -0.420 6.728 5.954 1.00 0.00 O ATOM 892 CB ASN A 58 0.710 4.496 7.755 1.00 0.00 C ATOM 893 CG ASN A 58 0.613 5.798 8.527 1.00 0.00 C ATOM 894 OD1 ASN A 58 -0.145 5.908 9.491 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.384 6.794 8.105 1.00 0.00 N ATOM 0 H ASN A 58 0.760 2.729 5.961 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.305 4.481 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.547 3.661 8.436 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.718 4.389 7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.363 7.694 8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.998 6.659 7.301 1.00 0.00 H new ATOM 902 N TYR A 59 0.445 5.269 4.471 1.00 0.00 N ATOM 903 CA TYR A 59 0.691 6.274 3.443 1.00 0.00 C ATOM 904 C TYR A 59 -0.494 6.340 2.485 1.00 0.00 C ATOM 905 O TYR A 59 -0.579 7.231 1.639 1.00 0.00 O ATOM 906 CB TYR A 59 1.972 5.936 2.675 1.00 0.00 C ATOM 907 CG TYR A 59 2.935 7.096 2.543 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.346 7.819 3.656 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.440 7.462 1.301 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.232 8.872 3.537 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.327 8.514 1.173 1.00 0.00 C ATOM 912 CZ TYR A 59 4.718 9.217 2.293 1.00 0.00 C ATOM 913 OH TYR A 59 5.602 10.264 2.169 1.00 0.00 O ATOM 0 H TYR A 59 0.722 4.323 4.207 1.00 0.00 H new ATOM 0 HA TYR A 59 0.813 7.247 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.478 5.112 3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.704 5.584 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.966 7.553 4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.134 6.915 0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.542 9.422 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.712 8.784 0.201 1.00 0.00 H new ATOM 0 HH TYR A 59 5.848 10.375 1.227 1.00 0.00 H new ATOM 923 N VAL A 60 -1.404 5.381 2.632 1.00 0.00 N ATOM 924 CA VAL A 60 -2.597 5.307 1.797 1.00 0.00 C ATOM 925 C VAL A 60 -3.856 5.284 2.660 1.00 0.00 C ATOM 926 O VAL A 60 -3.782 5.064 3.870 1.00 0.00 O ATOM 927 CB VAL A 60 -2.573 4.054 0.900 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.419 4.129 -0.088 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.474 2.792 1.744 1.00 0.00 C ATOM 0 H VAL A 60 -1.336 4.639 3.328 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.607 6.194 1.163 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.506 4.016 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.417 3.236 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.535 5.012 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.477 4.192 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.458 1.919 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.558 2.820 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.334 2.732 2.411 1.00 0.00 H new ATOM 939 N ARG A 61 -5.010 5.511 2.039 1.00 0.00 N ATOM 940 CA ARG A 61 -6.277 5.513 2.767 1.00 0.00 C ATOM 941 C ARG A 61 -7.370 4.807 1.973 1.00 0.00 C ATOM 942 O ARG A 61 -7.482 4.979 0.759 1.00 0.00 O ATOM 943 CB ARG A 61 -6.708 6.947 3.082 1.00 0.00 C ATOM 944 CG ARG A 61 -7.005 7.781 1.847 1.00 0.00 C ATOM 945 CD ARG A 61 -7.439 9.190 2.217 1.00 0.00 C ATOM 946 NE ARG A 61 -7.791 9.977 1.038 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.406 11.154 1.093 1.00 0.00 C ATOM 948 NH1 ARG A 61 -8.732 11.685 2.264 1.00 0.00 N ATOM 949 NH2 ARG A 61 -8.696 11.803 -0.028 1.00 0.00 N ATOM 0 H ARG A 61 -5.095 5.695 1.039 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.126 4.971 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.596 6.920 3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.922 7.435 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.118 7.827 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.788 7.300 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.295 9.142 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.635 9.687 2.759 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.551 9.602 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.511 11.190 3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.204 12.589 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.447 11.398 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.168 12.706 0.013 1.00 0.00 H new ATOM 963 N GLU A 62 -8.171 4.007 2.672 1.00 0.00 N ATOM 964 CA GLU A 62 -9.262 3.270 2.043 1.00 0.00 C ATOM 965 C GLU A 62 -10.198 4.206 1.289 1.00 0.00 C ATOM 966 O GLU A 62 -10.837 5.075 1.883 1.00 0.00 O ATOM 967 CB GLU A 62 -10.043 2.485 3.094 1.00 0.00 C ATOM 968 CG GLU A 62 -9.245 1.357 3.722 1.00 0.00 C ATOM 969 CD GLU A 62 -9.938 0.748 4.925 1.00 0.00 C ATOM 970 OE1 GLU A 62 -9.749 1.267 6.045 1.00 0.00 O ATOM 971 OE2 GLU A 62 -10.671 -0.247 4.748 1.00 0.00 O ATOM 0 H GLU A 62 -8.084 3.853 3.677 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.827 2.574 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.370 3.168 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.941 2.072 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.072 0.581 2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.267 1.733 4.023 1.00 0.00 H new ATOM 978 N VAL A 63 -10.272 4.022 -0.024 1.00 0.00 N ATOM 979 CA VAL A 63 -11.132 4.844 -0.868 1.00 0.00 C ATOM 980 C VAL A 63 -12.404 4.092 -1.246 1.00 0.00 C ATOM 981 O VAL A 63 -12.372 2.888 -1.501 1.00 0.00 O ATOM 982 CB VAL A 63 -10.404 5.289 -2.152 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.982 4.085 -2.977 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.281 6.226 -2.971 1.00 0.00 C ATOM 0 H VAL A 63 -9.745 3.309 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.395 5.729 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.505 5.833 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.470 4.423 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.309 3.460 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.864 3.508 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.748 6.528 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.202 5.713 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.522 7.109 -2.379 1.00 0.00 H new ATOM 994 N LYS A 64 -13.523 4.808 -1.276 1.00 0.00 N ATOM 995 CA LYS A 64 -14.806 4.207 -1.622 1.00 0.00 C ATOM 996 C LYS A 64 -15.049 4.264 -3.126 1.00 0.00 C ATOM 997 O LYS A 64 -14.378 5.001 -3.848 1.00 0.00 O ATOM 998 CB LYS A 64 -15.940 4.918 -0.882 1.00 0.00 C ATOM 999 CG LYS A 64 -15.844 4.803 0.630 1.00 0.00 C ATOM 1000 CD LYS A 64 -16.985 5.535 1.320 1.00 0.00 C ATOM 1001 CE LYS A 64 -16.904 5.392 2.831 1.00 0.00 C ATOM 1002 NZ LYS A 64 -18.011 6.114 3.516 1.00 0.00 N ATOM 0 H LYS A 64 -13.567 5.805 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.782 3.160 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.939 5.972 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.893 4.503 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.859 3.752 0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.892 5.212 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.957 6.591 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.938 5.141 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.939 4.336 3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.947 5.778 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.921 5.992 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.963 7.126 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.924 5.729 3.201 1.00 0.00 H new ATOM 1016 N ALA A 65 -16.015 3.477 -3.591 1.00 0.00 N ATOM 1017 CA ALA A 65 -16.352 3.435 -5.009 1.00 0.00 C ATOM 1018 C ALA A 65 -17.232 4.618 -5.399 1.00 0.00 C ATOM 1019 O ALA A 65 -18.470 4.500 -5.283 1.00 0.00 O ATOM 1020 CB ALA A 65 -17.046 2.124 -5.347 1.00 0.00 C ATOM 1021 OXT ALA A 65 -16.674 5.655 -5.818 1.00 0.00 O ATOM 0 H ALA A 65 -16.578 2.860 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.426 3.501 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.292 2.106 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.383 1.291 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.961 2.035 -4.761 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -1.029 22.662 6.288 1.00 0.00 N ATOM 1029 CA ASP B 183 -0.053 23.121 5.267 1.00 0.00 C ATOM 1030 C ASP B 183 1.265 22.366 5.398 1.00 0.00 C ATOM 1031 O ASP B 183 2.216 22.625 4.658 1.00 0.00 O ATOM 1032 CB ASP B 183 0.195 24.624 5.411 1.00 0.00 C ATOM 1033 CG ASP B 183 0.674 25.001 6.800 1.00 0.00 C ATOM 1034 OD1 ASP B 183 1.900 24.966 7.035 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -0.177 25.332 7.652 1.00 0.00 O ATOM 0 HA ASP B 183 -0.473 22.919 4.282 1.00 0.00 H new ATOM 0 HB2 ASP B 183 0.936 24.939 4.676 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -0.725 25.164 5.188 1.00 0.00 H new ATOM 1042 N ALA B 184 1.314 21.431 6.341 1.00 0.00 N ATOM 1043 CA ALA B 184 2.517 20.639 6.572 1.00 0.00 C ATOM 1044 C ALA B 184 2.211 19.147 6.510 1.00 0.00 C ATOM 1045 O ALA B 184 1.076 18.726 6.729 1.00 0.00 O ATOM 1046 CB ALA B 184 3.131 20.995 7.917 1.00 0.00 C ATOM 0 H ALA B 184 0.534 21.203 6.958 1.00 0.00 H new ATOM 0 HA ALA B 184 3.233 20.871 5.783 1.00 0.00 H new ATOM 0 HB1 ALA B 184 4.028 20.397 8.077 1.00 0.00 H new ATOM 0 HB2 ALA B 184 3.393 22.053 7.929 1.00 0.00 H new ATOM 0 HB3 ALA B 184 2.412 20.791 8.711 1.00 0.00 H new ATOM 1052 N THR B 185 3.234 18.353 6.212 1.00 0.00 N ATOM 1053 CA THR B 185 3.079 16.907 6.125 1.00 0.00 C ATOM 1054 C THR B 185 2.835 16.304 7.507 1.00 0.00 C ATOM 1055 O THR B 185 3.303 16.839 8.512 1.00 0.00 O ATOM 1056 CB THR B 185 4.322 16.248 5.498 1.00 0.00 C ATOM 1057 OG1 THR B 185 5.476 16.511 6.304 1.00 0.00 O ATOM 1058 CG2 THR B 185 4.556 16.767 4.087 1.00 0.00 C ATOM 0 H THR B 185 4.180 18.688 6.027 1.00 0.00 H new ATOM 0 HA THR B 185 2.217 16.713 5.487 1.00 0.00 H new ATOM 0 HB THR B 185 4.150 15.173 5.450 1.00 0.00 H new ATOM 0 HG1 THR B 185 6.261 16.087 5.899 1.00 0.00 H new ATOM 0 HG21 THR B 185 5.439 16.287 3.665 1.00 0.00 H new ATOM 0 HG22 THR B 185 3.688 16.540 3.467 1.00 0.00 H new ATOM 0 HG23 THR B 185 4.708 17.846 4.117 1.00 0.00 H new ATOM 1066 N PRO B 186 2.098 15.178 7.580 1.00 0.00 N ATOM 1067 CA PRO B 186 1.802 14.519 8.856 1.00 0.00 C ATOM 1068 C PRO B 186 3.040 13.863 9.467 1.00 0.00 C ATOM 1069 O PRO B 186 3.880 13.327 8.745 1.00 0.00 O ATOM 1070 CB PRO B 186 0.762 13.461 8.481 1.00 0.00 C ATOM 1071 CG PRO B 186 1.019 13.170 7.044 1.00 0.00 C ATOM 1072 CD PRO B 186 1.502 14.460 6.437 1.00 0.00 C ATOM 0 HA PRO B 186 1.452 15.225 9.609 1.00 0.00 H new ATOM 0 HB2 PRO B 186 0.871 12.565 9.092 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -0.252 13.830 8.635 1.00 0.00 H new ATOM 0 HG2 PRO B 186 1.765 12.384 6.933 1.00 0.00 H new ATOM 0 HG3 PRO B 186 0.113 12.821 6.549 1.00 0.00 H new ATOM 0 HD2 PRO B 186 2.234 14.283 5.649 1.00 0.00 H new ATOM 0 HD3 PRO B 186 0.683 15.025 5.991 1.00 0.00 H new ATOM 1080 N PRO B 187 3.170 13.897 10.809 1.00 0.00 N ATOM 1081 CA PRO B 187 4.318 13.305 11.507 1.00 0.00 C ATOM 1082 C PRO B 187 4.597 11.851 11.101 1.00 0.00 C ATOM 1083 O PRO B 187 5.740 11.510 10.797 1.00 0.00 O ATOM 1084 CB PRO B 187 3.929 13.394 12.985 1.00 0.00 C ATOM 1085 CG PRO B 187 2.967 14.530 13.057 1.00 0.00 C ATOM 1086 CD PRO B 187 2.220 14.527 11.750 1.00 0.00 C ATOM 0 HA PRO B 187 5.242 13.830 11.263 1.00 0.00 H new ATOM 0 HB2 PRO B 187 3.473 12.466 13.331 1.00 0.00 H new ATOM 0 HB3 PRO B 187 4.801 13.574 13.614 1.00 0.00 H new ATOM 0 HG2 PRO B 187 2.283 14.409 13.897 1.00 0.00 H new ATOM 0 HG3 PRO B 187 3.490 15.475 13.205 1.00 0.00 H new ATOM 0 HD2 PRO B 187 1.291 13.962 11.820 1.00 0.00 H new ATOM 0 HD3 PRO B 187 1.956 15.537 11.437 1.00 0.00 H new ATOM 1094 N PRO B 188 3.573 10.965 11.082 1.00 0.00 N ATOM 1095 CA PRO B 188 3.770 9.563 10.712 1.00 0.00 C ATOM 1096 C PRO B 188 3.796 9.351 9.201 1.00 0.00 C ATOM 1097 O PRO B 188 2.772 9.471 8.529 1.00 0.00 O ATOM 1098 CB PRO B 188 2.553 8.877 11.323 1.00 0.00 C ATOM 1099 CG PRO B 188 1.478 9.905 11.254 1.00 0.00 C ATOM 1100 CD PRO B 188 2.157 11.242 11.417 1.00 0.00 C ATOM 0 HA PRO B 188 4.727 9.177 11.064 1.00 0.00 H new ATOM 0 HB2 PRO B 188 2.281 7.980 10.767 1.00 0.00 H new ATOM 0 HB3 PRO B 188 2.744 8.570 12.351 1.00 0.00 H new ATOM 0 HG2 PRO B 188 0.950 9.851 10.302 1.00 0.00 H new ATOM 0 HG3 PRO B 188 0.738 9.747 12.039 1.00 0.00 H new ATOM 0 HD2 PRO B 188 1.728 11.992 10.752 1.00 0.00 H new ATOM 0 HD3 PRO B 188 2.054 11.621 12.434 1.00 0.00 H new ATOM 1108 N VAL B 189 4.975 9.038 8.673 1.00 0.00 N ATOM 1109 CA VAL B 189 5.133 8.799 7.246 1.00 0.00 C ATOM 1110 C VAL B 189 5.664 7.394 6.981 1.00 0.00 C ATOM 1111 O VAL B 189 6.720 7.015 7.488 1.00 0.00 O ATOM 1112 CB VAL B 189 6.077 9.831 6.599 1.00 0.00 C ATOM 1113 CG1 VAL B 189 5.400 11.188 6.497 1.00 0.00 C ATOM 1114 CG2 VAL B 189 7.379 9.937 7.380 1.00 0.00 C ATOM 0 H VAL B 189 5.835 8.944 9.214 1.00 0.00 H new ATOM 0 HA VAL B 189 4.145 8.900 6.797 1.00 0.00 H new ATOM 0 HB VAL B 189 6.313 9.490 5.591 1.00 0.00 H new ATOM 0 HG11 VAL B 189 6.084 11.902 6.038 1.00 0.00 H new ATOM 0 HG12 VAL B 189 4.501 11.101 5.886 1.00 0.00 H new ATOM 0 HG13 VAL B 189 5.129 11.535 7.494 1.00 0.00 H new ATOM 0 HG21 VAL B 189 8.030 10.671 6.905 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.166 10.249 8.402 1.00 0.00 H new ATOM 0 HG23 VAL B 189 7.876 8.967 7.393 1.00 0.00 H new ATOM 1124 N ILE B 190 4.916 6.627 6.190 1.00 0.00 N ATOM 1125 CA ILE B 190 5.298 5.259 5.849 1.00 0.00 C ATOM 1126 C ILE B 190 5.281 4.357 7.082 1.00 0.00 C ATOM 1127 O ILE B 190 5.590 4.794 8.190 1.00 0.00 O ATOM 1128 CB ILE B 190 6.697 5.206 5.199 1.00 0.00 C ATOM 1129 CG1 ILE B 190 6.772 6.195 4.031 1.00 0.00 C ATOM 1130 CG2 ILE B 190 7.013 3.792 4.728 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.152 6.305 3.417 1.00 0.00 C ATOM 0 H ILE B 190 4.037 6.932 5.772 1.00 0.00 H new ATOM 0 HA ILE B 190 4.563 4.897 5.130 1.00 0.00 H new ATOM 0 HB ILE B 190 7.441 5.490 5.943 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.064 5.889 3.261 1.00 0.00 H new ATOM 0 HG13 ILE B 190 6.459 7.179 4.379 1.00 0.00 H new ATOM 0 HG21 ILE B 190 8.003 3.773 4.272 1.00 0.00 H new ATOM 0 HG22 ILE B 190 6.992 3.112 5.579 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.270 3.478 3.995 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.129 7.023 2.597 1.00 0.00 H new ATOM 0 HD12 ILE B 190 8.861 6.641 4.174 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.460 5.331 3.038 1.00 0.00 H new ATOM 1143 N ALA B 191 4.911 3.096 6.879 1.00 0.00 N ATOM 1144 CA ALA B 191 4.849 2.133 7.973 1.00 0.00 C ATOM 1145 C ALA B 191 6.248 1.710 8.416 1.00 0.00 C ATOM 1146 O ALA B 191 7.196 1.756 7.630 1.00 0.00 O ATOM 1147 CB ALA B 191 4.036 0.918 7.558 1.00 0.00 C ATOM 0 H ALA B 191 4.650 2.718 5.968 1.00 0.00 H new ATOM 0 HA ALA B 191 4.360 2.614 8.820 1.00 0.00 H new ATOM 0 HB1 ALA B 191 3.997 0.207 8.383 1.00 0.00 H new ATOM 0 HB2 ALA B 191 3.024 1.229 7.299 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.503 0.446 6.694 1.00 0.00 H new ATOM 1153 N PRO B 192 6.397 1.292 9.688 1.00 0.00 N ATOM 1154 CA PRO B 192 7.685 0.859 10.232 1.00 0.00 C ATOM 1155 C PRO B 192 8.029 -0.576 9.845 1.00 0.00 C ATOM 1156 O PRO B 192 7.141 -1.391 9.598 1.00 0.00 O ATOM 1157 CB PRO B 192 7.467 0.963 11.738 1.00 0.00 C ATOM 1158 CG PRO B 192 6.018 0.665 11.920 1.00 0.00 C ATOM 1159 CD PRO B 192 5.322 1.214 10.701 1.00 0.00 C ATOM 0 HA PRO B 192 8.514 1.458 9.856 1.00 0.00 H new ATOM 0 HB2 PRO B 192 8.091 0.253 12.281 1.00 0.00 H new ATOM 0 HB3 PRO B 192 7.719 1.956 12.109 1.00 0.00 H new ATOM 0 HG2 PRO B 192 5.850 -0.408 12.015 1.00 0.00 H new ATOM 0 HG3 PRO B 192 5.636 1.129 12.829 1.00 0.00 H new ATOM 0 HD2 PRO B 192 4.511 0.562 10.375 1.00 0.00 H new ATOM 0 HD3 PRO B 192 4.885 2.193 10.897 1.00 0.00 H new ATOM 1167 N ARG B 193 9.324 -0.877 9.796 1.00 0.00 N ATOM 1168 CA ARG B 193 9.787 -2.216 9.447 1.00 0.00 C ATOM 1169 C ARG B 193 10.993 -2.615 10.299 1.00 0.00 C ATOM 1170 O ARG B 193 12.098 -2.788 9.783 1.00 0.00 O ATOM 1171 CB ARG B 193 10.141 -2.287 7.959 1.00 0.00 C ATOM 1172 CG ARG B 193 11.068 -1.174 7.496 1.00 0.00 C ATOM 1173 CD ARG B 193 11.404 -1.304 6.019 1.00 0.00 C ATOM 1174 NE ARG B 193 12.123 -2.542 5.728 1.00 0.00 N ATOM 1175 CZ ARG B 193 12.700 -2.802 4.558 1.00 0.00 C ATOM 1176 NH1 ARG B 193 12.641 -1.916 3.571 1.00 0.00 N ATOM 1177 NH2 ARG B 193 13.337 -3.950 4.373 1.00 0.00 N ATOM 0 H ARG B 193 10.071 -0.211 9.994 1.00 0.00 H new ATOM 0 HA ARG B 193 8.979 -2.919 9.649 1.00 0.00 H new ATOM 0 HB2 ARG B 193 10.611 -3.248 7.752 1.00 0.00 H new ATOM 0 HB3 ARG B 193 9.222 -2.249 7.374 1.00 0.00 H new ATOM 0 HG2 ARG B 193 10.597 -0.208 7.679 1.00 0.00 H new ATOM 0 HG3 ARG B 193 11.987 -1.197 8.082 1.00 0.00 H new ATOM 0 HD2 ARG B 193 10.485 -1.273 5.434 1.00 0.00 H new ATOM 0 HD3 ARG B 193 12.009 -0.452 5.708 1.00 0.00 H new ATOM 0 HE ARG B 193 12.186 -3.246 6.463 1.00 0.00 H new ATOM 0 HH11 ARG B 193 12.152 -1.032 3.708 1.00 0.00 H new ATOM 0 HH12 ARG B 193 13.085 -2.120 2.676 1.00 0.00 H new ATOM 0 HH21 ARG B 193 13.385 -4.634 5.128 1.00 0.00 H new ATOM 0 HH22 ARG B 193 13.779 -4.149 3.476 1.00 0.00 H new ATOM 1191 N PRO B 194 10.796 -2.764 11.623 1.00 0.00 N ATOM 1192 CA PRO B 194 11.874 -3.140 12.544 1.00 0.00 C ATOM 1193 C PRO B 194 12.384 -4.557 12.296 1.00 0.00 C ATOM 1194 O PRO B 194 13.531 -4.749 11.893 1.00 0.00 O ATOM 1195 CB PRO B 194 11.221 -3.040 13.927 1.00 0.00 C ATOM 1196 CG PRO B 194 9.761 -3.183 13.674 1.00 0.00 C ATOM 1197 CD PRO B 194 9.512 -2.573 12.324 1.00 0.00 C ATOM 0 HA PRO B 194 12.748 -2.499 12.426 1.00 0.00 H new ATOM 0 HB2 PRO B 194 11.585 -3.823 14.593 1.00 0.00 H new ATOM 0 HB3 PRO B 194 11.448 -2.086 14.403 1.00 0.00 H new ATOM 0 HG2 PRO B 194 9.463 -4.231 13.689 1.00 0.00 H new ATOM 0 HG3 PRO B 194 9.180 -2.676 14.444 1.00 0.00 H new ATOM 0 HD2 PRO B 194 8.692 -3.068 11.804 1.00 0.00 H new ATOM 0 HD3 PRO B 194 9.249 -1.518 12.402 1.00 0.00 H new ATOM 1205 N GLU B 195 11.526 -5.545 12.541 1.00 0.00 N ATOM 1206 CA GLU B 195 11.898 -6.942 12.344 1.00 0.00 C ATOM 1207 C GLU B 195 10.670 -7.849 12.390 1.00 0.00 C ATOM 1208 O GLU B 195 10.643 -8.904 11.758 1.00 0.00 O ATOM 1209 CB GLU B 195 12.906 -7.376 13.411 1.00 0.00 C ATOM 1210 CG GLU B 195 13.367 -8.817 13.264 1.00 0.00 C ATOM 1211 CD GLU B 195 14.097 -9.066 11.958 1.00 0.00 C ATOM 1212 OE1 GLU B 195 13.429 -9.409 10.961 1.00 0.00 O ATOM 1213 OE2 GLU B 195 15.336 -8.917 11.934 1.00 0.00 O ATOM 0 H GLU B 195 10.573 -5.404 12.875 1.00 0.00 H new ATOM 0 HA GLU B 195 12.356 -7.034 11.359 1.00 0.00 H new ATOM 0 HB2 GLU B 195 13.775 -6.719 13.366 1.00 0.00 H new ATOM 0 HB3 GLU B 195 12.458 -7.246 14.396 1.00 0.00 H new ATOM 0 HG2 GLU B 195 14.023 -9.071 14.097 1.00 0.00 H new ATOM 0 HG3 GLU B 195 12.503 -9.479 13.325 1.00 0.00 H new ATOM 1220 N HIS B 196 9.657 -7.429 13.140 1.00 0.00 N ATOM 1221 CA HIS B 196 8.428 -8.207 13.267 1.00 0.00 C ATOM 1222 C HIS B 196 7.642 -8.208 11.960 1.00 0.00 C ATOM 1223 O HIS B 196 7.029 -9.212 11.596 1.00 0.00 O ATOM 1224 CB HIS B 196 7.560 -7.648 14.396 1.00 0.00 C ATOM 1225 CG HIS B 196 8.225 -7.689 15.736 1.00 0.00 C ATOM 1226 ND1 HIS B 196 8.732 -6.569 16.360 1.00 0.00 N ATOM 1227 CD2 HIS B 196 8.463 -8.725 16.576 1.00 0.00 C ATOM 1228 CE1 HIS B 196 9.254 -6.914 17.524 1.00 0.00 C ATOM 1229 NE2 HIS B 196 9.103 -8.216 17.678 1.00 0.00 N ATOM 0 H HIS B 196 9.661 -6.557 13.668 1.00 0.00 H new ATOM 0 HA HIS B 196 8.704 -9.235 13.503 1.00 0.00 H new ATOM 0 HB2 HIS B 196 7.294 -6.617 14.163 1.00 0.00 H new ATOM 0 HB3 HIS B 196 6.630 -8.214 14.443 1.00 0.00 H new ATOM 0 HD2 HIS B 196 8.198 -9.759 16.409 1.00 0.00 H new ATOM 0 HE1 HIS B 196 9.724 -6.245 18.229 1.00 0.00 H new ATOM 0 HE2 HIS B 196 9.412 -8.757 18.486 1.00 0.00 H new ATOM 1238 N THR B 197 7.664 -7.080 11.259 1.00 0.00 N ATOM 1239 CA THR B 197 6.949 -6.948 9.996 1.00 0.00 C ATOM 1240 C THR B 197 7.913 -6.834 8.820 1.00 0.00 C ATOM 1241 O THR B 197 9.107 -6.595 9.007 1.00 0.00 O ATOM 1242 CB THR B 197 6.019 -5.721 10.008 1.00 0.00 C ATOM 1243 OG1 THR B 197 5.337 -5.606 8.753 1.00 0.00 O ATOM 1244 CG2 THR B 197 6.805 -4.446 10.280 1.00 0.00 C ATOM 0 H THR B 197 8.171 -6.242 11.545 1.00 0.00 H new ATOM 0 HA THR B 197 6.350 -7.851 9.877 1.00 0.00 H new ATOM 0 HB THR B 197 5.289 -5.858 10.806 1.00 0.00 H new ATOM 0 HG1 THR B 197 4.747 -4.824 8.772 1.00 0.00 H new ATOM 0 HG21 THR B 197 6.126 -3.594 10.283 1.00 0.00 H new ATOM 0 HG22 THR B 197 7.297 -4.522 11.250 1.00 0.00 H new ATOM 0 HG23 THR B 197 7.556 -4.308 9.502 1.00 0.00 H new ATOM 1252 N LYS B 198 7.384 -7.011 7.610 1.00 0.00 N ATOM 1253 CA LYS B 198 8.185 -6.925 6.390 1.00 0.00 C ATOM 1254 C LYS B 198 9.234 -8.032 6.334 1.00 0.00 C ATOM 1255 O LYS B 198 9.605 -8.607 7.357 1.00 0.00 O ATOM 1256 CB LYS B 198 8.862 -5.555 6.291 1.00 0.00 C ATOM 1257 CG LYS B 198 8.318 -4.685 5.169 1.00 0.00 C ATOM 1258 CD LYS B 198 8.786 -5.175 3.807 1.00 0.00 C ATOM 1259 CE LYS B 198 8.212 -4.327 2.683 1.00 0.00 C ATOM 1260 NZ LYS B 198 8.781 -4.698 1.358 1.00 0.00 N ATOM 0 H LYS B 198 6.398 -7.216 7.448 1.00 0.00 H new ATOM 0 HA LYS B 198 7.512 -7.053 5.542 1.00 0.00 H new ATOM 0 HB2 LYS B 198 8.740 -5.030 7.238 1.00 0.00 H new ATOM 0 HB3 LYS B 198 9.932 -5.698 6.142 1.00 0.00 H new ATOM 0 HG2 LYS B 198 7.229 -4.685 5.202 1.00 0.00 H new ATOM 0 HG3 LYS B 198 8.641 -3.655 5.317 1.00 0.00 H new ATOM 0 HD2 LYS B 198 9.875 -5.149 3.764 1.00 0.00 H new ATOM 0 HD3 LYS B 198 8.486 -6.214 3.670 1.00 0.00 H new ATOM 0 HE2 LYS B 198 7.129 -4.444 2.658 1.00 0.00 H new ATOM 0 HE3 LYS B 198 8.415 -3.275 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 8.363 -4.096 0.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 9.812 -4.562 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 8.566 -5.695 1.155 1.00 0.00 H new ATOM 1274 N SER B 199 9.705 -8.329 5.125 1.00 0.00 N ATOM 1275 CA SER B 199 10.708 -9.368 4.926 1.00 0.00 C ATOM 1276 C SER B 199 12.103 -8.849 5.266 1.00 0.00 C ATOM 1277 O SER B 199 12.250 -7.773 5.848 1.00 0.00 O ATOM 1278 CB SER B 199 10.675 -9.864 3.479 1.00 0.00 C ATOM 1279 OG SER B 199 10.999 -8.824 2.572 1.00 0.00 O ATOM 0 H SER B 199 9.406 -7.863 4.268 1.00 0.00 H new ATOM 0 HA SER B 199 10.476 -10.197 5.594 1.00 0.00 H new ATOM 0 HB2 SER B 199 11.379 -10.688 3.358 1.00 0.00 H new ATOM 0 HB3 SER B 199 9.684 -10.255 3.249 1.00 0.00 H new ATOM 0 HG SER B 199 10.972 -9.169 1.655 1.00 0.00 H new ATOM 1285 N VAL B 200 13.122 -9.620 4.902 1.00 0.00 N ATOM 1286 CA VAL B 200 14.502 -9.242 5.168 1.00 0.00 C ATOM 1287 C VAL B 200 15.119 -8.535 3.962 1.00 0.00 C ATOM 1288 O VAL B 200 14.421 -7.862 3.204 1.00 0.00 O ATOM 1289 CB VAL B 200 15.353 -10.473 5.539 1.00 0.00 C ATOM 1290 CG1 VAL B 200 14.900 -11.051 6.871 1.00 0.00 C ATOM 1291 CG2 VAL B 200 15.279 -11.524 4.444 1.00 0.00 C ATOM 0 H VAL B 200 13.016 -10.513 4.421 1.00 0.00 H new ATOM 0 HA VAL B 200 14.493 -8.554 6.013 1.00 0.00 H new ATOM 0 HB VAL B 200 16.392 -10.157 5.638 1.00 0.00 H new ATOM 0 HG11 VAL B 200 15.511 -11.919 7.118 1.00 0.00 H new ATOM 0 HG12 VAL B 200 15.009 -10.297 7.651 1.00 0.00 H new ATOM 0 HG13 VAL B 200 13.855 -11.351 6.801 1.00 0.00 H new ATOM 0 HG21 VAL B 200 15.886 -12.385 4.724 1.00 0.00 H new ATOM 0 HG22 VAL B 200 14.244 -11.838 4.310 1.00 0.00 H new ATOM 0 HG23 VAL B 200 15.654 -11.104 3.511 1.00 0.00 H new ATOM 1301 N TYR B 201 16.428 -8.693 3.789 1.00 0.00 N ATOM 1302 CA TYR B 201 17.142 -8.058 2.684 1.00 0.00 C ATOM 1303 C TYR B 201 16.998 -8.854 1.387 1.00 0.00 C ATOM 1304 O TYR B 201 17.771 -8.664 0.448 1.00 0.00 O ATOM 1305 CB TYR B 201 18.623 -7.902 3.034 1.00 0.00 C ATOM 1306 CG TYR B 201 18.880 -6.963 4.192 1.00 0.00 C ATOM 1307 CD1 TYR B 201 18.741 -7.393 5.505 1.00 0.00 C ATOM 1308 CD2 TYR B 201 19.260 -5.646 3.969 1.00 0.00 C ATOM 1309 CE1 TYR B 201 18.974 -6.537 6.565 1.00 0.00 C ATOM 1310 CE2 TYR B 201 19.495 -4.783 5.024 1.00 0.00 C ATOM 1311 CZ TYR B 201 19.351 -5.235 6.319 1.00 0.00 C ATOM 1312 OH TYR B 201 19.585 -4.380 7.371 1.00 0.00 O ATOM 0 H TYR B 201 17.018 -9.257 4.401 1.00 0.00 H new ATOM 0 HA TYR B 201 16.698 -7.075 2.527 1.00 0.00 H new ATOM 0 HB2 TYR B 201 19.035 -8.882 3.274 1.00 0.00 H new ATOM 0 HB3 TYR B 201 19.158 -7.538 2.157 1.00 0.00 H new ATOM 0 HD1 TYR B 201 18.446 -8.413 5.701 1.00 0.00 H new ATOM 0 HD2 TYR B 201 19.374 -5.290 2.956 1.00 0.00 H new ATOM 0 HE1 TYR B 201 18.861 -6.887 7.580 1.00 0.00 H new ATOM 0 HE2 TYR B 201 19.789 -3.761 4.835 1.00 0.00 H new ATOM 0 HH TYR B 201 19.843 -3.500 7.026 1.00 0.00 H new ATOM 1322 N THR B 202 16.007 -9.738 1.336 1.00 0.00 N ATOM 1323 CA THR B 202 15.776 -10.550 0.146 1.00 0.00 C ATOM 1324 C THR B 202 14.901 -9.804 -0.858 1.00 0.00 C ATOM 1325 O THR B 202 14.739 -10.233 -2.000 1.00 0.00 O ATOM 1326 CB THR B 202 15.111 -11.896 0.500 1.00 0.00 C ATOM 1327 OG1 THR B 202 15.792 -12.499 1.606 1.00 0.00 O ATOM 1328 CG2 THR B 202 15.136 -12.847 -0.688 1.00 0.00 C ATOM 0 H THR B 202 15.354 -9.910 2.100 1.00 0.00 H new ATOM 0 HA THR B 202 16.750 -10.749 -0.300 1.00 0.00 H new ATOM 0 HB THR B 202 14.072 -11.701 0.767 1.00 0.00 H new ATOM 0 HG1 THR B 202 15.364 -13.353 1.827 1.00 0.00 H new ATOM 0 HG21 THR B 202 14.661 -13.788 -0.411 1.00 0.00 H new ATOM 0 HG22 THR B 202 14.596 -12.400 -1.523 1.00 0.00 H new ATOM 0 HG23 THR B 202 16.169 -13.035 -0.982 1.00 0.00 H new ATOM 1336 N ARG B 203 14.345 -8.680 -0.421 1.00 0.00 N ATOM 1337 CA ARG B 203 13.487 -7.866 -1.275 1.00 0.00 C ATOM 1338 C ARG B 203 13.820 -6.386 -1.123 1.00 0.00 C ATOM 1339 O ARG B 203 14.510 -5.989 -0.184 1.00 0.00 O ATOM 1340 CB ARG B 203 12.013 -8.105 -0.933 1.00 0.00 C ATOM 1341 CG ARG B 203 11.554 -9.538 -1.155 1.00 0.00 C ATOM 1342 CD ARG B 203 11.592 -9.916 -2.628 1.00 0.00 C ATOM 1343 NE ARG B 203 11.071 -11.261 -2.860 1.00 0.00 N ATOM 1344 CZ ARG B 203 11.057 -11.852 -4.052 1.00 0.00 C ATOM 1345 NH1 ARG B 203 11.529 -11.219 -5.117 1.00 0.00 N ATOM 1346 NH2 ARG B 203 10.566 -13.077 -4.177 1.00 0.00 N ATOM 0 H ARG B 203 14.473 -8.311 0.521 1.00 0.00 H new ATOM 0 HA ARG B 203 13.664 -8.159 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG B 203 11.844 -7.837 0.110 1.00 0.00 H new ATOM 0 HB3 ARG B 203 11.397 -7.439 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG B 203 12.191 -10.217 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG B 203 10.540 -9.659 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG B 203 11.008 -9.197 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG B 203 12.618 -9.857 -2.991 1.00 0.00 H new ATOM 0 HE ARG B 203 10.697 -11.776 -2.063 1.00 0.00 H new ATOM 0 HH11 ARG B 203 11.905 -10.275 -5.024 1.00 0.00 H new ATOM 0 HH12 ARG B 203 11.516 -11.676 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG B 203 10.199 -13.565 -3.360 1.00 0.00 H new ATOM 0 HH22 ARG B 203 10.555 -13.531 -5.090 1.00 0.00 H new ATOM 1360 N SER B 204 13.325 -5.575 -2.052 1.00 0.00 N ATOM 1361 CA SER B 204 13.571 -4.138 -2.021 1.00 0.00 C ATOM 1362 C SER B 204 12.326 -3.364 -2.444 1.00 0.00 C ATOM 1363 O SER B 204 12.151 -3.143 -3.661 1.00 0.00 O ATOM 1364 CB SER B 204 14.746 -3.781 -2.934 1.00 0.00 C ATOM 1365 OG SER B 204 15.933 -4.432 -2.517 1.00 0.00 O ATOM 1366 OXT SER B 204 11.535 -2.988 -1.554 1.00 0.00 O ATOM 0 H SER B 204 12.751 -5.888 -2.835 1.00 0.00 H new ATOM 0 HA SER B 204 13.819 -3.858 -0.997 1.00 0.00 H new ATOM 0 HB2 SER B 204 14.513 -4.066 -3.960 1.00 0.00 H new ATOM 0 HB3 SER B 204 14.899 -2.702 -2.930 1.00 0.00 H new ATOM 0 HG SER B 204 16.668 -4.188 -3.118 1.00 0.00 H new TER 1372 SER B 204