USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1058 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: B 122 HIS : no HD1:sc= 0.852 K(o=1.5,f=-5.1!) USER MOD Set 1.2: B 123 SER OG : rot 7:sc= 0.676 USER MOD Set 2.1: A 65 TYR OH : rot 141:sc= -1.08 USER MOD Set 2.2: B 141 MET CE :methyl -139:sc= -0.117 (180deg=-1.44) USER MOD Set 3.1: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 71 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.869) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.114 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 2.45 (180deg=2.43) USER MOD Single : A 7 HIS : no HE2:sc= 0.753 K(o=0.75,f=-4.5!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 11 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.963 F(o=-1.8!,f=-0.96) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.034 K(o=-0.034,f=-0.6) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= -0.0935 (180deg=-0.987) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 29 THR OG1 : rot -101:sc= 0.53 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -177:sc= -4.65! (180deg=-4.76!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 168:sc= -2.16! (180deg=-2.94!) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.406 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.16 K(o=1.2,f=-0.024) USER MOD Single : A 60 SER OG : rot -15:sc= 1.03 USER MOD Single : A 64 TYR OH : rot 32:sc= 0.905 USER MOD Single : A 66 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=-0.0042) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.2!) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= 0.367 (180deg=-0.524!) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0.762! (180deg=0.264) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot 180:sc= 0.0215 USER MOD Single : B 103 MET CE :methyl -165:sc= -0.188 (180deg=-0.677) USER MOD Single : B 104 SER OG : rot 118:sc= 0.772 USER MOD Single : B 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 ASN : amide:sc= 0.379 K(o=0.38,f=-6.6!) USER MOD Single : B 109 GLN : amide:sc= -1.82! C(o=-1.8!,f=-3.8!) USER MOD Single : B 110 THR OG1 : rot 150:sc= 0 USER MOD Single : B 112 GLN :FLIP amide:sc= -0.75 F(o=-1.9!,f=-0.75) USER MOD Single : B 116 THR OG1 : rot 64:sc= 0.288 USER MOD Single : B 117 SER OG : rot -90:sc= 0.204 USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 121 SER OG : rot -98:sc= 1.09 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 139 CYS SG : rot 180:sc= 0 USER MOD Single : B 143 SER OG : rot -54:sc= 1 USER MOD Single : B 147 SER OG : rot -91:sc= 1.23 USER MOD Single : B 150 MET CE :methyl 180:sc= -0.0365 (180deg=-0.0365) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.537 4.340 17.865 1.00 0.00 N ATOM 2 CA GLY A 1 -15.707 3.398 16.765 1.00 0.00 C ATOM 3 C GLY A 1 -16.073 4.145 15.521 1.00 0.00 C ATOM 4 O GLY A 1 -16.672 5.226 15.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.526 4.434 18.088 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.919 5.267 17.590 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.045 3.991 18.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.786 2.837 16.607 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.484 2.674 17.009 1.00 0.00 H new ATOM 10 N VAL A 2 -15.733 3.612 14.370 1.00 0.00 N ATOM 11 CA VAL A 2 -16.023 4.290 13.131 1.00 0.00 C ATOM 12 C VAL A 2 -17.377 3.925 12.559 1.00 0.00 C ATOM 13 O VAL A 2 -17.596 2.839 12.020 1.00 0.00 O ATOM 14 CB VAL A 2 -14.903 4.172 12.063 1.00 0.00 C ATOM 15 CG1 VAL A 2 -13.685 4.948 12.517 1.00 0.00 C ATOM 16 CG2 VAL A 2 -14.531 2.716 11.787 1.00 0.00 C ATOM 0 H VAL A 2 -15.258 2.715 14.267 1.00 0.00 H new ATOM 0 HA VAL A 2 -16.061 5.344 13.407 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.280 4.593 11.131 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.899 4.864 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.950 5.997 12.649 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.327 4.542 13.463 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.744 2.678 11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.176 2.251 12.707 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.407 2.179 11.423 1.00 0.00 H new ATOM 26 N ARG A 3 -18.281 4.824 12.705 1.00 0.00 N ATOM 27 CA ARG A 3 -19.594 4.676 12.194 1.00 0.00 C ATOM 28 C ARG A 3 -19.768 5.628 11.032 1.00 0.00 C ATOM 29 O ARG A 3 -20.025 6.827 11.190 1.00 0.00 O ATOM 30 CB ARG A 3 -20.691 4.810 13.282 1.00 0.00 C ATOM 31 CG ARG A 3 -20.770 6.128 14.074 1.00 0.00 C ATOM 32 CD ARG A 3 -19.676 6.254 15.131 1.00 0.00 C ATOM 33 NE ARG A 3 -19.805 7.486 15.892 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.796 8.189 16.421 1.00 0.00 C ATOM 35 NH1 ARG A 3 -17.529 7.775 16.306 1.00 0.00 N ATOM 36 NH2 ARG A 3 -19.058 9.294 17.085 1.00 0.00 N ATOM 0 H ARG A 3 -18.124 5.705 13.195 1.00 0.00 H new ATOM 0 HA ARG A 3 -19.724 3.657 11.829 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -21.657 4.651 12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -20.552 3.999 13.997 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.697 6.967 13.382 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -21.745 6.197 14.557 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.724 5.401 15.808 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.699 6.224 14.649 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.748 7.847 16.036 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.318 6.910 15.808 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.774 8.324 16.716 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.023 9.608 17.193 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.297 9.837 17.492 1.00 0.00 H new ATOM 50 N LYS A 4 -19.519 5.099 9.880 1.00 0.00 N ATOM 51 CA LYS A 4 -19.514 5.842 8.659 1.00 0.00 C ATOM 52 C LYS A 4 -20.082 4.989 7.526 1.00 0.00 C ATOM 53 O LYS A 4 -19.406 4.125 6.998 1.00 0.00 O ATOM 54 CB LYS A 4 -18.076 6.375 8.385 1.00 0.00 C ATOM 55 CG LYS A 4 -16.933 5.408 8.776 1.00 0.00 C ATOM 56 CD LYS A 4 -15.541 6.045 8.624 1.00 0.00 C ATOM 57 CE LYS A 4 -15.324 7.215 9.577 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.091 7.964 9.275 1.00 0.00 N ATOM 0 H LYS A 4 -19.307 4.109 9.756 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.163 6.714 8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.987 6.608 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.942 7.310 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.071 5.087 9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.989 4.514 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.778 5.288 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.413 6.389 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.179 7.889 9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.278 6.843 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.979 8.738 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.273 7.325 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.150 8.358 8.314 1.00 0.00 H new ATOM 72 N GLY A 5 -21.333 5.284 7.158 1.00 0.00 N ATOM 73 CA GLY A 5 -22.150 4.466 6.228 1.00 0.00 C ATOM 74 C GLY A 5 -21.493 4.038 4.915 1.00 0.00 C ATOM 75 O GLY A 5 -21.933 3.063 4.285 1.00 0.00 O ATOM 0 H GLY A 5 -21.824 6.111 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.466 3.567 6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.052 5.028 5.987 1.00 0.00 H new ATOM 79 N TRP A 6 -20.450 4.724 4.508 1.00 0.00 N ATOM 80 CA TRP A 6 -19.744 4.389 3.290 1.00 0.00 C ATOM 81 C TRP A 6 -19.012 3.047 3.407 1.00 0.00 C ATOM 82 O TRP A 6 -18.621 2.464 2.393 1.00 0.00 O ATOM 83 CB TRP A 6 -18.756 5.491 2.891 1.00 0.00 C ATOM 84 CG TRP A 6 -17.676 5.744 3.889 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.690 6.676 4.859 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.420 5.059 4.011 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.520 6.652 5.551 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.728 5.655 5.060 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.819 4.006 3.329 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.466 5.239 5.443 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.568 3.593 3.716 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.907 4.206 4.759 1.00 0.00 C ATOM 0 H TRP A 6 -20.067 5.526 5.008 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.498 4.300 2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.298 5.224 1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.309 6.416 2.730 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.512 7.347 5.059 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.273 7.280 6.316 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.328 3.521 2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.943 5.718 6.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.094 2.774 3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.924 3.858 5.039 1.00 0.00 H new ATOM 103 N HIS A 7 -18.821 2.546 4.639 1.00 0.00 N ATOM 104 CA HIS A 7 -18.116 1.276 4.831 1.00 0.00 C ATOM 105 C HIS A 7 -18.891 0.082 4.299 1.00 0.00 C ATOM 106 O HIS A 7 -18.358 -1.011 4.186 1.00 0.00 O ATOM 107 CB HIS A 7 -17.573 1.034 6.276 1.00 0.00 C ATOM 108 CG HIS A 7 -18.550 1.106 7.437 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.710 0.362 7.559 1.00 0.00 N ATOM 110 CD2 HIS A 7 -18.486 1.869 8.558 1.00 0.00 C ATOM 111 CE1 HIS A 7 -20.297 0.700 8.715 1.00 0.00 C ATOM 112 NE2 HIS A 7 -19.588 1.614 9.361 1.00 0.00 N ATOM 0 H HIS A 7 -19.139 2.993 5.499 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.223 1.378 4.215 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.107 0.049 6.295 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.784 1.763 6.460 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -20.057 -0.323 6.888 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -17.697 2.569 8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.226 0.282 9.073 1.00 0.00 H new ATOM 120 N GLU A 8 -20.136 0.304 3.937 1.00 0.00 N ATOM 121 CA GLU A 8 -20.950 -0.741 3.346 1.00 0.00 C ATOM 122 C GLU A 8 -20.779 -0.730 1.836 1.00 0.00 C ATOM 123 O GLU A 8 -21.233 -1.629 1.134 1.00 0.00 O ATOM 124 CB GLU A 8 -22.410 -0.541 3.707 1.00 0.00 C ATOM 125 CG GLU A 8 -22.645 -0.453 5.196 1.00 0.00 C ATOM 126 CD GLU A 8 -22.156 -1.677 5.942 1.00 0.00 C ATOM 127 OE1 GLU A 8 -20.971 -1.707 6.364 1.00 0.00 O ATOM 128 OE2 GLU A 8 -22.939 -2.629 6.129 1.00 0.00 O ATOM 0 H GLU A 8 -20.610 1.201 4.041 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.626 -1.706 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.774 0.371 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.995 -1.366 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.140 0.431 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -23.711 -0.321 5.384 1.00 0.00 H new ATOM 135 N HIS A 9 -20.095 0.282 1.350 1.00 0.00 N ATOM 136 CA HIS A 9 -19.865 0.453 -0.075 1.00 0.00 C ATOM 137 C HIS A 9 -18.477 -0.024 -0.453 1.00 0.00 C ATOM 138 O HIS A 9 -18.047 0.094 -1.602 1.00 0.00 O ATOM 139 CB HIS A 9 -20.009 1.922 -0.482 1.00 0.00 C ATOM 140 CG HIS A 9 -21.395 2.471 -0.405 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.186 2.698 -1.503 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.116 2.879 0.668 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.334 3.229 -1.081 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.342 3.360 0.235 1.00 0.00 N ATOM 0 H HIS A 9 -19.680 1.012 1.929 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.613 -0.141 -0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.361 2.524 0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.647 2.036 -1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.788 2.836 1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.150 3.514 -1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.094 3.737 0.812 1.00 0.00 H new ATOM 152 N VAL A 10 -17.782 -0.541 0.503 1.00 0.00 N ATOM 153 CA VAL A 10 -16.438 -0.993 0.315 1.00 0.00 C ATOM 154 C VAL A 10 -16.276 -2.347 0.984 1.00 0.00 C ATOM 155 O VAL A 10 -16.416 -2.481 2.200 1.00 0.00 O ATOM 156 CB VAL A 10 -15.426 0.069 0.853 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.675 0.443 2.292 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.991 -0.343 0.630 1.00 0.00 C ATOM 0 H VAL A 10 -18.133 -0.665 1.452 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.223 -1.114 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.602 0.968 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.940 1.184 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.677 0.860 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.588 -0.444 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.326 0.427 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.798 -1.284 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.811 -0.470 -0.437 1.00 0.00 H new ATOM 168 N THR A 11 -16.055 -3.345 0.196 1.00 0.00 N ATOM 169 CA THR A 11 -15.964 -4.667 0.703 1.00 0.00 C ATOM 170 C THR A 11 -14.485 -5.025 0.922 1.00 0.00 C ATOM 171 O THR A 11 -13.582 -4.335 0.388 1.00 0.00 O ATOM 172 CB THR A 11 -16.610 -5.644 -0.300 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.737 -4.994 -0.924 1.00 0.00 O ATOM 174 CG2 THR A 11 -17.125 -6.871 0.429 1.00 0.00 C ATOM 0 H THR A 11 -15.933 -3.265 -0.814 1.00 0.00 H new ATOM 0 HA THR A 11 -16.491 -4.739 1.655 1.00 0.00 H new ATOM 0 HB THR A 11 -15.866 -5.936 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.430 -4.479 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.580 -7.556 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.297 -7.370 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.869 -6.570 1.166 1.00 0.00 H new ATOM 182 N GLN A 12 -14.242 -6.085 1.697 1.00 0.00 N ATOM 183 CA GLN A 12 -12.908 -6.587 2.010 1.00 0.00 C ATOM 184 C GLN A 12 -12.080 -6.790 0.752 1.00 0.00 C ATOM 185 O GLN A 12 -10.900 -6.508 0.740 1.00 0.00 O ATOM 186 CB GLN A 12 -13.019 -7.872 2.873 1.00 0.00 C ATOM 187 CG GLN A 12 -11.702 -8.595 3.231 1.00 0.00 C ATOM 188 CD GLN A 12 -11.134 -9.491 2.116 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.994 -10.063 1.297 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -9.929 -9.668 2.010 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.987 -6.629 2.133 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.375 -5.840 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.526 -7.613 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.661 -8.579 2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.953 -7.848 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.869 -9.205 4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.288 -9.212 2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.565 -10.272 1.273 1.00 0.00 H new ATOM 199 N ASP A 13 -12.729 -7.222 -0.298 1.00 0.00 N ATOM 200 CA ASP A 13 -12.091 -7.472 -1.586 1.00 0.00 C ATOM 201 C ASP A 13 -11.346 -6.234 -2.103 1.00 0.00 C ATOM 202 O ASP A 13 -10.164 -6.323 -2.472 1.00 0.00 O ATOM 203 CB ASP A 13 -13.142 -7.896 -2.593 1.00 0.00 C ATOM 204 CG ASP A 13 -12.551 -8.410 -3.872 1.00 0.00 C ATOM 205 OD1 ASP A 13 -12.137 -9.590 -3.909 1.00 0.00 O ATOM 206 OD2 ASP A 13 -12.508 -7.680 -4.862 1.00 0.00 O ATOM 0 H ASP A 13 -13.730 -7.416 -0.293 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.357 -8.267 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.769 -8.670 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.790 -7.048 -2.813 1.00 0.00 H new ATOM 211 N LEU A 14 -11.999 -5.070 -2.003 1.00 0.00 N ATOM 212 CA LEU A 14 -11.451 -3.818 -2.544 1.00 0.00 C ATOM 213 C LEU A 14 -10.285 -3.418 -1.704 1.00 0.00 C ATOM 214 O LEU A 14 -9.192 -3.188 -2.193 1.00 0.00 O ATOM 215 CB LEU A 14 -12.557 -2.703 -2.523 1.00 0.00 C ATOM 216 CG LEU A 14 -12.232 -1.249 -3.029 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.428 -0.448 -2.033 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.524 -1.241 -4.369 1.00 0.00 C ATOM 0 H LEU A 14 -12.908 -4.968 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.128 -3.956 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.396 -3.070 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.907 -2.615 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.205 -0.773 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.234 0.546 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.987 -0.359 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.481 -0.952 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.325 -0.212 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.582 -1.784 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.155 -1.721 -5.117 1.00 0.00 H new ATOM 230 N ARG A 15 -10.523 -3.391 -0.436 1.00 0.00 N ATOM 231 CA ARG A 15 -9.548 -2.940 0.500 1.00 0.00 C ATOM 232 C ARG A 15 -8.332 -3.834 0.566 1.00 0.00 C ATOM 233 O ARG A 15 -7.224 -3.352 0.583 1.00 0.00 O ATOM 234 CB ARG A 15 -10.174 -2.720 1.837 1.00 0.00 C ATOM 235 CG ARG A 15 -10.894 -3.870 2.414 1.00 0.00 C ATOM 236 CD ARG A 15 -11.737 -3.404 3.543 1.00 0.00 C ATOM 237 NE ARG A 15 -10.935 -2.692 4.553 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.116 -2.743 5.868 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.124 -3.441 6.384 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.265 -2.107 6.662 1.00 0.00 N ATOM 0 H ARG A 15 -11.406 -3.683 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.171 -1.981 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.394 -2.418 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.870 -1.885 1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.514 -4.344 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.184 -4.621 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.520 -2.745 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.233 -4.257 4.005 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.172 -2.107 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.765 -3.942 5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.256 -3.475 7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.484 -1.588 6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.391 -2.137 7.674 1.00 0.00 H new ATOM 254 N SER A 16 -8.543 -5.132 0.528 1.00 0.00 N ATOM 255 CA SER A 16 -7.461 -6.084 0.560 1.00 0.00 C ATOM 256 C SER A 16 -6.653 -5.998 -0.737 1.00 0.00 C ATOM 257 O SER A 16 -5.446 -6.252 -0.750 1.00 0.00 O ATOM 258 CB SER A 16 -8.021 -7.487 0.787 1.00 0.00 C ATOM 259 OG SER A 16 -7.015 -8.484 0.812 1.00 0.00 O ATOM 0 H SER A 16 -9.470 -5.554 0.474 1.00 0.00 H new ATOM 0 HA SER A 16 -6.787 -5.853 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.568 -7.506 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.736 -7.719 -0.002 1.00 0.00 H new ATOM 0 HG SER A 16 -7.427 -9.361 0.961 1.00 0.00 H new ATOM 265 N HIS A 17 -7.317 -5.597 -1.813 1.00 0.00 N ATOM 266 CA HIS A 17 -6.666 -5.395 -3.101 1.00 0.00 C ATOM 267 C HIS A 17 -5.694 -4.211 -2.977 1.00 0.00 C ATOM 268 O HIS A 17 -4.546 -4.258 -3.449 1.00 0.00 O ATOM 269 CB HIS A 17 -7.745 -5.112 -4.163 1.00 0.00 C ATOM 270 CG HIS A 17 -7.305 -5.148 -5.591 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.180 -6.305 -6.325 1.00 0.00 N ATOM 272 CD2 HIS A 17 -7.018 -4.136 -6.438 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.837 -5.973 -7.564 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.724 -4.662 -7.692 1.00 0.00 N ATOM 0 H HIS A 17 -8.318 -5.403 -1.818 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.106 -6.281 -3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.547 -5.839 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.171 -4.129 -3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.017 -3.087 -6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.672 -6.681 -8.363 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.474 -4.144 -8.534 1.00 0.00 H new ATOM 282 N LEU A 18 -6.164 -3.175 -2.315 1.00 0.00 N ATOM 283 CA LEU A 18 -5.378 -1.983 -2.035 1.00 0.00 C ATOM 284 C LEU A 18 -4.253 -2.316 -1.061 1.00 0.00 C ATOM 285 O LEU A 18 -3.132 -1.871 -1.239 1.00 0.00 O ATOM 286 CB LEU A 18 -6.289 -0.852 -1.508 1.00 0.00 C ATOM 287 CG LEU A 18 -7.080 -0.017 -2.561 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.719 -0.863 -3.650 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.164 0.763 -1.882 1.00 0.00 C ATOM 0 H LEU A 18 -7.115 -3.133 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.919 -1.625 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.009 -1.293 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.672 -0.165 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.349 0.639 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.252 -0.217 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.945 -1.413 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.419 -1.567 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.713 1.344 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.847 0.077 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.722 1.436 -1.147 1.00 0.00 H new ATOM 301 N VAL A 19 -4.566 -3.137 -0.066 1.00 0.00 N ATOM 302 CA VAL A 19 -3.587 -3.652 0.908 1.00 0.00 C ATOM 303 C VAL A 19 -2.454 -4.403 0.175 1.00 0.00 C ATOM 304 O VAL A 19 -1.268 -4.170 0.424 1.00 0.00 O ATOM 305 CB VAL A 19 -4.268 -4.645 1.912 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.272 -5.326 2.763 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.252 -3.963 2.806 1.00 0.00 C ATOM 0 H VAL A 19 -5.515 -3.473 0.097 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.183 -2.800 1.455 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.790 -5.374 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.781 -6.006 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.583 -5.891 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.716 -4.585 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.696 -4.693 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.744 -3.193 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.035 -3.504 2.202 1.00 0.00 H new ATOM 317 N HIS A 20 -2.852 -5.299 -0.716 1.00 0.00 N ATOM 318 CA HIS A 20 -1.936 -6.077 -1.546 1.00 0.00 C ATOM 319 C HIS A 20 -0.990 -5.146 -2.310 1.00 0.00 C ATOM 320 O HIS A 20 0.229 -5.361 -2.364 1.00 0.00 O ATOM 321 CB HIS A 20 -2.766 -6.947 -2.517 1.00 0.00 C ATOM 322 CG HIS A 20 -1.987 -7.616 -3.602 1.00 0.00 C ATOM 323 ND1 HIS A 20 -2.029 -7.211 -4.915 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.133 -8.662 -3.558 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.226 -7.989 -5.615 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.646 -8.899 -4.842 1.00 0.00 N ATOM 0 H HIS A 20 -3.835 -5.511 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.323 -6.725 -0.919 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.284 -7.713 -1.940 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.531 -6.321 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.871 -9.223 -2.673 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.062 -7.897 -6.679 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.017 -9.620 -5.128 1.00 0.00 H new ATOM 334 N LYS A 21 -1.559 -4.114 -2.869 1.00 0.00 N ATOM 335 CA LYS A 21 -0.804 -3.126 -3.594 1.00 0.00 C ATOM 336 C LYS A 21 0.084 -2.311 -2.693 1.00 0.00 C ATOM 337 O LYS A 21 1.215 -1.992 -3.074 1.00 0.00 O ATOM 338 CB LYS A 21 -1.731 -2.291 -4.440 1.00 0.00 C ATOM 339 CG LYS A 21 -2.137 -3.053 -5.660 1.00 0.00 C ATOM 340 CD LYS A 21 -3.352 -2.501 -6.343 1.00 0.00 C ATOM 341 CE LYS A 21 -3.727 -3.385 -7.522 1.00 0.00 C ATOM 342 NZ LYS A 21 -2.680 -3.438 -8.567 1.00 0.00 N ATOM 0 H LYS A 21 -2.562 -3.933 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.118 -3.637 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.614 -2.016 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.237 -1.363 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.306 -3.059 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.327 -4.090 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.183 -2.446 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.157 -1.485 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.924 -4.395 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.653 -3.017 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.117 -3.316 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.990 -2.677 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.197 -4.358 -8.528 1.00 0.00 H new ATOM 356 N LEU A 22 -0.413 -1.985 -1.500 1.00 0.00 N ATOM 357 CA LEU A 22 0.380 -1.303 -0.495 1.00 0.00 C ATOM 358 C LEU A 22 1.648 -2.074 -0.244 1.00 0.00 C ATOM 359 O LEU A 22 2.714 -1.493 -0.246 1.00 0.00 O ATOM 360 CB LEU A 22 -0.399 -1.104 0.808 1.00 0.00 C ATOM 361 CG LEU A 22 -1.483 -0.026 0.802 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.301 -0.093 2.078 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.833 1.322 0.735 1.00 0.00 C ATOM 0 H LEU A 22 -1.370 -2.187 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 22 0.628 -0.311 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.864 -2.053 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.314 -0.866 1.598 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.132 -0.188 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.069 0.681 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.774 -1.072 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.649 0.064 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.600 2.096 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.186 1.457 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.239 1.395 -0.176 1.00 0.00 H new ATOM 375 N VAL A 23 1.516 -3.396 -0.077 1.00 0.00 N ATOM 376 CA VAL A 23 2.665 -4.292 0.057 1.00 0.00 C ATOM 377 C VAL A 23 3.609 -4.140 -1.123 1.00 0.00 C ATOM 378 O VAL A 23 4.763 -3.880 -0.925 1.00 0.00 O ATOM 379 CB VAL A 23 2.233 -5.775 0.153 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.443 -6.685 -0.005 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.586 -6.025 1.486 1.00 0.00 C ATOM 0 H VAL A 23 0.614 -3.870 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 23 3.172 -4.011 0.980 1.00 0.00 H new ATOM 0 HB VAL A 23 1.522 -5.990 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.127 -7.726 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.905 -6.510 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.164 -6.472 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.282 -7.070 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.296 -5.802 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.710 -5.385 1.591 1.00 0.00 H new ATOM 391 N GLN A 24 3.091 -4.268 -2.344 1.00 0.00 N ATOM 392 CA GLN A 24 3.934 -4.197 -3.545 1.00 0.00 C ATOM 393 C GLN A 24 4.728 -2.878 -3.652 1.00 0.00 C ATOM 394 O GLN A 24 5.803 -2.842 -4.266 1.00 0.00 O ATOM 395 CB GLN A 24 3.134 -4.462 -4.820 1.00 0.00 C ATOM 396 CG GLN A 24 2.545 -5.863 -4.893 1.00 0.00 C ATOM 397 CD GLN A 24 1.877 -6.152 -6.224 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.336 -5.262 -6.881 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.923 -7.390 -6.637 1.00 0.00 N ATOM 0 H GLN A 24 2.100 -4.420 -2.531 1.00 0.00 H new ATOM 0 HA GLN A 24 4.669 -4.995 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.326 -3.734 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.780 -4.304 -5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.336 -6.594 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.817 -5.988 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.380 -8.101 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.502 -7.646 -7.530 1.00 0.00 H new ATOM 408 N ALA A 25 4.171 -1.792 -3.125 1.00 0.00 N ATOM 409 CA ALA A 25 4.877 -0.527 -3.065 1.00 0.00 C ATOM 410 C ALA A 25 5.822 -0.435 -1.857 1.00 0.00 C ATOM 411 O ALA A 25 6.959 -0.064 -1.986 1.00 0.00 O ATOM 412 CB ALA A 25 3.886 0.569 -2.968 1.00 0.00 C ATOM 0 H ALA A 25 3.229 -1.768 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 25 5.481 -0.446 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.405 1.526 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.236 0.550 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.286 0.438 -2.067 1.00 0.00 H new ATOM 418 N ILE A 26 5.339 -0.807 -0.677 1.00 0.00 N ATOM 419 CA ILE A 26 6.131 -0.648 0.555 1.00 0.00 C ATOM 420 C ILE A 26 7.246 -1.680 0.595 1.00 0.00 C ATOM 421 O ILE A 26 8.290 -1.478 1.200 1.00 0.00 O ATOM 422 CB ILE A 26 5.219 -0.696 1.846 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.959 -0.243 3.140 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.605 -2.079 2.041 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.705 -1.332 3.886 1.00 0.00 C ATOM 0 H ILE A 26 4.415 -1.217 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 26 6.591 0.340 0.547 1.00 0.00 H new ATOM 0 HB ILE A 26 4.420 0.024 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.668 0.542 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.229 0.201 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.984 -2.078 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.993 -2.331 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.399 -2.818 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.182 -0.907 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.005 -2.109 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.465 -1.764 3.235 1.00 0.00 H new ATOM 437 N PHE A 27 7.009 -2.752 -0.059 1.00 0.00 N ATOM 438 CA PHE A 27 7.925 -3.805 -0.217 1.00 0.00 C ATOM 439 C PHE A 27 7.977 -4.181 -1.672 1.00 0.00 C ATOM 440 O PHE A 27 7.133 -4.949 -2.139 1.00 0.00 O ATOM 441 CB PHE A 27 7.513 -5.014 0.630 1.00 0.00 C ATOM 442 CG PHE A 27 8.226 -5.122 1.938 1.00 0.00 C ATOM 443 CD1 PHE A 27 9.442 -5.778 2.016 1.00 0.00 C ATOM 444 CD2 PHE A 27 7.692 -4.578 3.088 1.00 0.00 C ATOM 445 CE1 PHE A 27 10.109 -5.885 3.215 1.00 0.00 C ATOM 446 CE2 PHE A 27 8.355 -4.681 4.293 1.00 0.00 C ATOM 447 CZ PHE A 27 9.567 -5.337 4.354 1.00 0.00 C ATOM 0 H PHE A 27 6.118 -2.924 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 27 8.911 -3.483 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.441 -4.962 0.818 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.693 -5.923 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.873 -6.211 1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.743 -4.065 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.058 -6.399 3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.927 -4.250 5.186 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.090 -5.420 5.295 1.00 0.00 H new ATOM 457 N PRO A 28 8.905 -3.577 -2.452 1.00 0.00 N ATOM 458 CA PRO A 28 9.075 -3.931 -3.848 1.00 0.00 C ATOM 459 C PRO A 28 9.528 -5.378 -3.945 1.00 0.00 C ATOM 460 O PRO A 28 10.717 -5.693 -3.802 1.00 0.00 O ATOM 461 CB PRO A 28 10.153 -2.965 -4.364 1.00 0.00 C ATOM 462 CG PRO A 28 10.844 -2.466 -3.138 1.00 0.00 C ATOM 463 CD PRO A 28 9.826 -2.500 -2.036 1.00 0.00 C ATOM 0 HA PRO A 28 8.159 -3.848 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.850 -3.472 -5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.710 -2.145 -4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.702 -3.092 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.220 -1.454 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.286 -2.715 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.309 -1.545 -1.937 1.00 0.00 H new ATOM 471 N THR A 29 8.566 -6.240 -4.096 1.00 0.00 N ATOM 472 CA THR A 29 8.782 -7.638 -4.048 1.00 0.00 C ATOM 473 C THR A 29 9.651 -8.116 -5.222 1.00 0.00 C ATOM 474 O THR A 29 9.430 -7.732 -6.387 1.00 0.00 O ATOM 475 CB THR A 29 7.428 -8.406 -3.957 1.00 0.00 C ATOM 476 OG1 THR A 29 7.640 -9.734 -3.495 1.00 0.00 O ATOM 477 CG2 THR A 29 6.696 -8.440 -5.298 1.00 0.00 C ATOM 0 H THR A 29 7.594 -5.976 -4.259 1.00 0.00 H new ATOM 0 HA THR A 29 9.341 -7.864 -3.140 1.00 0.00 H new ATOM 0 HB THR A 29 6.802 -7.867 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.624 -10.352 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.759 -8.985 -5.187 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.487 -7.421 -5.624 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.320 -8.938 -6.040 1.00 0.00 H new ATOM 485 N PRO A 30 10.697 -8.891 -4.918 1.00 0.00 N ATOM 486 CA PRO A 30 11.589 -9.442 -5.934 1.00 0.00 C ATOM 487 C PRO A 30 10.919 -10.572 -6.694 1.00 0.00 C ATOM 488 O PRO A 30 11.153 -10.779 -7.884 1.00 0.00 O ATOM 489 CB PRO A 30 12.757 -9.999 -5.114 1.00 0.00 C ATOM 490 CG PRO A 30 12.198 -10.264 -3.756 1.00 0.00 C ATOM 491 CD PRO A 30 11.111 -9.262 -3.542 1.00 0.00 C ATOM 0 HA PRO A 30 11.884 -8.700 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.151 -10.911 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.580 -9.286 -5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.808 -11.280 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.970 -10.168 -2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.282 -9.686 -2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.469 -8.396 -2.985 1.00 0.00 H new ATOM 499 N ASP A 31 10.065 -11.271 -6.002 1.00 0.00 N ATOM 500 CA ASP A 31 9.406 -12.428 -6.514 1.00 0.00 C ATOM 501 C ASP A 31 8.008 -12.484 -5.977 1.00 0.00 C ATOM 502 O ASP A 31 7.732 -11.912 -4.934 1.00 0.00 O ATOM 503 CB ASP A 31 10.164 -13.693 -6.105 1.00 0.00 C ATOM 504 CG ASP A 31 10.333 -13.874 -4.612 1.00 0.00 C ATOM 505 OD1 ASP A 31 11.247 -13.267 -4.021 1.00 0.00 O ATOM 506 OD2 ASP A 31 9.574 -14.669 -4.020 1.00 0.00 O ATOM 0 H ASP A 31 9.805 -11.042 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 31 9.379 -12.370 -7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.639 -14.560 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.150 -13.675 -6.569 1.00 0.00 H new ATOM 511 N PRO A 32 7.087 -13.150 -6.670 1.00 0.00 N ATOM 512 CA PRO A 32 5.715 -13.254 -6.213 1.00 0.00 C ATOM 513 C PRO A 32 5.532 -14.249 -5.059 1.00 0.00 C ATOM 514 O PRO A 32 4.451 -14.354 -4.484 1.00 0.00 O ATOM 515 CB PRO A 32 4.952 -13.706 -7.444 1.00 0.00 C ATOM 516 CG PRO A 32 5.949 -14.469 -8.239 1.00 0.00 C ATOM 517 CD PRO A 32 7.275 -13.806 -7.986 1.00 0.00 C ATOM 0 HA PRO A 32 5.363 -12.306 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.098 -14.328 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.564 -12.856 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.972 -15.516 -7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.699 -14.450 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.088 -14.531 -7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.517 -13.083 -8.764 1.00 0.00 H new ATOM 525 N ALA A 33 6.578 -14.952 -4.697 1.00 0.00 N ATOM 526 CA ALA A 33 6.458 -15.898 -3.626 1.00 0.00 C ATOM 527 C ALA A 33 6.735 -15.230 -2.292 1.00 0.00 C ATOM 528 O ALA A 33 6.246 -15.669 -1.257 1.00 0.00 O ATOM 529 CB ALA A 33 7.311 -17.125 -3.842 1.00 0.00 C ATOM 0 H ALA A 33 7.503 -14.886 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 33 5.428 -16.254 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.184 -17.809 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.008 -17.621 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.358 -16.832 -3.915 1.00 0.00 H new ATOM 535 N ALA A 34 7.496 -14.142 -2.330 1.00 0.00 N ATOM 536 CA ALA A 34 7.732 -13.299 -1.164 1.00 0.00 C ATOM 537 C ALA A 34 6.401 -12.724 -0.659 1.00 0.00 C ATOM 538 O ALA A 34 6.240 -12.380 0.515 1.00 0.00 O ATOM 539 CB ALA A 34 8.720 -12.190 -1.521 1.00 0.00 C ATOM 0 H ALA A 34 7.969 -13.819 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 34 8.167 -13.894 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.894 -11.562 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.663 -12.632 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.310 -11.583 -2.328 1.00 0.00 H new ATOM 545 N LEU A 35 5.434 -12.714 -1.558 1.00 0.00 N ATOM 546 CA LEU A 35 4.099 -12.223 -1.317 1.00 0.00 C ATOM 547 C LEU A 35 3.254 -13.258 -0.582 1.00 0.00 C ATOM 548 O LEU A 35 2.120 -12.993 -0.204 1.00 0.00 O ATOM 549 CB LEU A 35 3.448 -11.932 -2.646 1.00 0.00 C ATOM 550 CG LEU A 35 4.195 -10.972 -3.540 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.590 -10.975 -4.912 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.186 -9.583 -2.938 1.00 0.00 C ATOM 0 H LEU A 35 5.566 -13.061 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 35 4.165 -11.326 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.318 -12.873 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.452 -11.530 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 35 5.233 -11.293 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.134 -10.280 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.649 -11.978 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.546 -10.669 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.728 -8.900 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.157 -9.241 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.667 -9.607 -1.960 1.00 0.00 H new ATOM 564 N LYS A 36 3.772 -14.442 -0.440 1.00 0.00 N ATOM 565 CA LYS A 36 3.080 -15.493 0.269 1.00 0.00 C ATOM 566 C LYS A 36 4.034 -16.189 1.222 1.00 0.00 C ATOM 567 O LYS A 36 3.777 -17.307 1.683 1.00 0.00 O ATOM 568 CB LYS A 36 2.441 -16.466 -0.722 1.00 0.00 C ATOM 569 CG LYS A 36 3.416 -17.042 -1.731 1.00 0.00 C ATOM 570 CD LYS A 36 2.717 -17.861 -2.798 1.00 0.00 C ATOM 571 CE LYS A 36 1.777 -17.002 -3.638 1.00 0.00 C ATOM 572 NZ LYS A 36 1.104 -17.772 -4.700 1.00 0.00 N ATOM 0 H LYS A 36 4.684 -14.712 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 36 2.275 -15.064 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.981 -17.284 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.641 -15.953 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.970 -16.230 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.144 -17.667 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.460 -18.328 -3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.153 -18.666 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.026 -16.551 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.341 -16.185 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.477 -17.143 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.817 -18.182 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.542 -18.536 -4.272 1.00 0.00 H new ATOM 586 N ASP A 37 5.091 -15.489 1.570 1.00 0.00 N ATOM 587 CA ASP A 37 6.126 -16.005 2.397 1.00 0.00 C ATOM 588 C ASP A 37 5.760 -15.696 3.807 1.00 0.00 C ATOM 589 O ASP A 37 4.757 -15.024 4.062 1.00 0.00 O ATOM 590 CB ASP A 37 7.410 -15.262 2.046 1.00 0.00 C ATOM 591 CG ASP A 37 8.653 -15.837 2.639 1.00 0.00 C ATOM 592 OD1 ASP A 37 9.154 -16.842 2.126 1.00 0.00 O ATOM 593 OD2 ASP A 37 9.126 -15.293 3.646 1.00 0.00 O ATOM 0 H ASP A 37 5.246 -14.526 1.272 1.00 0.00 H new ATOM 0 HA ASP A 37 6.259 -17.078 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.517 -15.245 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.314 -14.227 2.374 1.00 0.00 H new ATOM 598 N ARG A 38 6.570 -16.127 4.706 1.00 0.00 N ATOM 599 CA ARG A 38 6.420 -15.816 6.079 1.00 0.00 C ATOM 600 C ARG A 38 6.582 -14.309 6.272 1.00 0.00 C ATOM 601 O ARG A 38 5.995 -13.712 7.162 1.00 0.00 O ATOM 602 CB ARG A 38 7.456 -16.631 6.893 1.00 0.00 C ATOM 603 CG ARG A 38 8.960 -16.435 6.544 1.00 0.00 C ATOM 604 CD ARG A 38 9.478 -15.079 6.925 1.00 0.00 C ATOM 605 NE ARG A 38 10.908 -14.894 6.680 1.00 0.00 N ATOM 606 CZ ARG A 38 11.687 -13.984 7.298 1.00 0.00 C ATOM 607 NH1 ARG A 38 11.210 -13.259 8.313 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.950 -13.828 6.918 1.00 0.00 N ATOM 0 H ARG A 38 7.374 -16.720 4.501 1.00 0.00 H new ATOM 0 HA ARG A 38 5.427 -16.087 6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.321 -16.389 7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.219 -17.688 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.548 -17.199 7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.101 -16.584 5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.925 -14.322 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.277 -14.909 7.983 1.00 0.00 H new ATOM 0 HE ARG A 38 11.350 -15.500 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.249 -13.392 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.807 -12.573 8.774 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.328 -14.396 6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.542 -13.140 7.384 1.00 0.00 H new ATOM 622 N ARG A 39 7.379 -13.706 5.376 1.00 0.00 N ATOM 623 CA ARG A 39 7.723 -12.322 5.461 1.00 0.00 C ATOM 624 C ARG A 39 6.499 -11.457 5.147 1.00 0.00 C ATOM 625 O ARG A 39 6.318 -10.347 5.681 1.00 0.00 O ATOM 626 CB ARG A 39 8.858 -12.006 4.494 1.00 0.00 C ATOM 627 CG ARG A 39 9.449 -10.601 4.619 1.00 0.00 C ATOM 628 CD ARG A 39 10.280 -10.399 5.898 1.00 0.00 C ATOM 629 NE ARG A 39 9.509 -10.409 7.166 1.00 0.00 N ATOM 630 CZ ARG A 39 10.043 -10.116 8.370 1.00 0.00 C ATOM 631 NH1 ARG A 39 11.333 -9.811 8.473 1.00 0.00 N ATOM 632 NH2 ARG A 39 9.296 -10.166 9.463 1.00 0.00 N ATOM 0 H ARG A 39 7.793 -14.187 4.578 1.00 0.00 H new ATOM 0 HA ARG A 39 8.056 -12.100 6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.656 -12.733 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.494 -12.140 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.077 -10.401 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.639 -9.871 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.037 -11.182 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.809 -9.449 5.821 1.00 0.00 H new ATOM 0 HE ARG A 39 8.519 -10.651 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.922 -9.798 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.734 -9.590 9.385 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.312 -10.427 9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.705 -9.944 10.371 1.00 0.00 H new ATOM 646 N MET A 40 5.653 -12.006 4.313 1.00 0.00 N ATOM 647 CA MET A 40 4.427 -11.375 3.873 1.00 0.00 C ATOM 648 C MET A 40 3.522 -11.019 5.033 1.00 0.00 C ATOM 649 O MET A 40 2.857 -10.021 4.961 1.00 0.00 O ATOM 650 CB MET A 40 3.714 -12.263 2.830 1.00 0.00 C ATOM 651 CG MET A 40 2.175 -12.136 2.709 1.00 0.00 C ATOM 652 SD MET A 40 1.539 -10.473 2.353 1.00 0.00 S ATOM 653 CE MET A 40 2.464 -10.010 0.926 1.00 0.00 C ATOM 0 H MET A 40 5.799 -12.931 3.908 1.00 0.00 H new ATOM 0 HA MET A 40 4.685 -10.431 3.393 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.146 -12.046 1.853 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.948 -13.303 3.059 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.836 -12.809 1.922 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.727 -12.483 3.640 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.206 -8.990 0.640 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.529 -10.066 1.149 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.229 -10.687 0.105 1.00 0.00 H new ATOM 663 N GLU A 41 3.522 -11.793 6.125 1.00 0.00 N ATOM 664 CA GLU A 41 2.633 -11.434 7.220 1.00 0.00 C ATOM 665 C GLU A 41 2.976 -10.074 7.767 1.00 0.00 C ATOM 666 O GLU A 41 2.109 -9.380 8.165 1.00 0.00 O ATOM 667 CB GLU A 41 2.491 -12.507 8.321 1.00 0.00 C ATOM 668 CG GLU A 41 3.692 -12.783 9.222 1.00 0.00 C ATOM 669 CD GLU A 41 3.979 -11.754 10.284 1.00 0.00 C ATOM 670 OE1 GLU A 41 3.213 -11.667 11.260 1.00 0.00 O ATOM 671 OE2 GLU A 41 5.014 -11.071 10.201 1.00 0.00 O ATOM 0 H GLU A 41 4.095 -12.625 6.266 1.00 0.00 H new ATOM 0 HA GLU A 41 1.634 -11.383 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.656 -12.220 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.215 -13.444 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.540 -13.746 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.577 -12.881 8.593 1.00 0.00 H new ATOM 678 N ASN A 42 4.261 -9.696 7.681 1.00 0.00 N ATOM 679 CA ASN A 42 4.735 -8.366 8.093 1.00 0.00 C ATOM 680 C ASN A 42 4.340 -7.366 7.060 1.00 0.00 C ATOM 681 O ASN A 42 3.835 -6.286 7.378 1.00 0.00 O ATOM 682 CB ASN A 42 6.272 -8.337 8.245 1.00 0.00 C ATOM 683 CG ASN A 42 6.845 -6.921 8.216 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.260 -6.484 7.034 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.935 -6.247 9.236 1.00 0.00 N flip ATOM 0 H ASN A 42 4.999 -10.303 7.324 1.00 0.00 H new ATOM 0 HA ASN A 42 4.285 -8.129 9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.548 -8.816 9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.723 -8.922 7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.604 -6.621 10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.341 -5.312 9.195 1.00 0.00 H new ATOM 692 N LEU A 43 4.594 -7.740 5.813 1.00 0.00 N ATOM 693 CA LEU A 43 4.270 -6.913 4.655 1.00 0.00 C ATOM 694 C LEU A 43 2.816 -6.478 4.721 1.00 0.00 C ATOM 695 O LEU A 43 2.490 -5.280 4.748 1.00 0.00 O ATOM 696 CB LEU A 43 4.482 -7.717 3.363 1.00 0.00 C ATOM 697 CG LEU A 43 5.893 -7.825 2.763 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.947 -8.082 3.769 1.00 0.00 C ATOM 699 CD2 LEU A 43 5.975 -8.837 1.625 1.00 0.00 C ATOM 0 H LEU A 43 5.033 -8.629 5.574 1.00 0.00 H new ATOM 0 HA LEU A 43 4.920 -6.038 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.127 -8.731 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.834 -7.286 2.600 1.00 0.00 H new ATOM 0 HG LEU A 43 6.089 -6.837 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.916 -8.146 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.964 -7.269 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.739 -9.021 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.994 -8.870 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.694 -9.823 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.295 -8.542 0.826 1.00 0.00 H new ATOM 711 N VAL A 44 1.967 -7.456 4.794 1.00 0.00 N ATOM 712 CA VAL A 44 0.574 -7.258 4.818 1.00 0.00 C ATOM 713 C VAL A 44 0.135 -6.703 6.173 1.00 0.00 C ATOM 714 O VAL A 44 -0.803 -5.972 6.230 1.00 0.00 O ATOM 715 CB VAL A 44 -0.172 -8.562 4.444 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.289 -9.553 5.581 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.482 -8.288 3.749 1.00 0.00 C ATOM 0 H VAL A 44 2.245 -8.436 4.839 1.00 0.00 H new ATOM 0 HA VAL A 44 0.309 -6.515 4.066 1.00 0.00 H new ATOM 0 HB VAL A 44 0.463 -9.067 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.824 -10.439 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.707 -9.839 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.835 -9.097 6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.969 -9.232 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.127 -7.705 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.297 -7.728 2.832 1.00 0.00 H new ATOM 727 N ALA A 45 0.874 -7.011 7.247 1.00 0.00 N ATOM 728 CA ALA A 45 0.546 -6.493 8.596 1.00 0.00 C ATOM 729 C ALA A 45 0.621 -4.967 8.595 1.00 0.00 C ATOM 730 O ALA A 45 -0.261 -4.290 9.145 1.00 0.00 O ATOM 731 CB ALA A 45 1.476 -7.079 9.686 1.00 0.00 C ATOM 0 H ALA A 45 1.698 -7.611 7.216 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.469 -6.808 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.199 -6.671 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.375 -8.164 9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.510 -6.815 9.463 1.00 0.00 H new ATOM 737 N TYR A 46 1.665 -4.434 7.957 1.00 0.00 N ATOM 738 CA TYR A 46 1.811 -2.986 7.765 1.00 0.00 C ATOM 739 C TYR A 46 0.719 -2.484 6.860 1.00 0.00 C ATOM 740 O TYR A 46 0.083 -1.479 7.146 1.00 0.00 O ATOM 741 CB TYR A 46 3.213 -2.616 7.164 1.00 0.00 C ATOM 742 CG TYR A 46 3.271 -1.244 6.431 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.860 -1.134 5.096 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.701 -0.084 7.062 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.874 0.068 4.426 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.715 1.134 6.380 1.00 0.00 C ATOM 747 CZ TYR A 46 3.298 1.197 5.068 1.00 0.00 C ATOM 748 OH TYR A 46 3.311 2.406 4.392 1.00 0.00 O ATOM 0 H TYR A 46 2.427 -4.985 7.562 1.00 0.00 H new ATOM 0 HA TYR A 46 1.733 -2.509 8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.948 -2.613 7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.510 -3.398 6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.522 -2.019 4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.028 -0.125 8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.551 0.119 3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.053 2.029 6.882 1.00 0.00 H new ATOM 0 HH TYR A 46 3.638 3.111 4.989 1.00 0.00 H new ATOM 758 N ALA A 47 0.511 -3.174 5.770 1.00 0.00 N ATOM 759 CA ALA A 47 -0.460 -2.752 4.800 1.00 0.00 C ATOM 760 C ALA A 47 -1.847 -2.672 5.422 1.00 0.00 C ATOM 761 O ALA A 47 -2.549 -1.720 5.218 1.00 0.00 O ATOM 762 CB ALA A 47 -0.424 -3.658 3.599 1.00 0.00 C ATOM 0 H ALA A 47 1.004 -4.035 5.532 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.209 -1.748 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.165 -3.327 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.568 -3.625 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.649 -4.679 3.907 1.00 0.00 H new ATOM 768 N LYS A 48 -2.169 -3.639 6.249 1.00 0.00 N ATOM 769 CA LYS A 48 -3.440 -3.702 6.962 1.00 0.00 C ATOM 770 C LYS A 48 -3.567 -2.597 7.998 1.00 0.00 C ATOM 771 O LYS A 48 -4.621 -1.974 8.115 1.00 0.00 O ATOM 772 CB LYS A 48 -3.566 -5.039 7.655 1.00 0.00 C ATOM 773 CG LYS A 48 -3.708 -6.214 6.710 1.00 0.00 C ATOM 774 CD LYS A 48 -3.590 -7.518 7.457 1.00 0.00 C ATOM 775 CE LYS A 48 -3.744 -8.706 6.531 1.00 0.00 C ATOM 776 NZ LYS A 48 -3.813 -9.984 7.268 1.00 0.00 N ATOM 0 H LYS A 48 -1.549 -4.422 6.454 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.235 -3.573 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.689 -5.195 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.431 -5.013 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.672 -6.165 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.940 -6.161 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.621 -7.567 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.351 -7.562 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.648 -8.584 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.904 -8.734 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.918 -10.769 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.940 -10.115 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.629 -9.970 7.912 1.00 0.00 H new ATOM 790 N LYS A 49 -2.497 -2.350 8.744 1.00 0.00 N ATOM 791 CA LYS A 49 -2.525 -1.337 9.797 1.00 0.00 C ATOM 792 C LYS A 49 -2.675 0.054 9.172 1.00 0.00 C ATOM 793 O LYS A 49 -3.449 0.895 9.648 1.00 0.00 O ATOM 794 CB LYS A 49 -1.259 -1.437 10.710 1.00 0.00 C ATOM 795 CG LYS A 49 0.041 -1.094 10.072 1.00 0.00 C ATOM 796 CD LYS A 49 1.208 -1.285 11.036 1.00 0.00 C ATOM 797 CE LYS A 49 2.483 -0.644 10.499 1.00 0.00 C ATOM 798 NZ LYS A 49 3.624 -0.784 11.429 1.00 0.00 N ATOM 0 H LYS A 49 -1.604 -2.832 8.642 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.387 -1.515 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.403 -0.781 11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.194 -2.455 11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.190 -1.718 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.017 -0.060 9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.959 -0.848 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.375 -2.349 11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.740 -1.100 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.301 0.414 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.465 -0.332 11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.393 -0.326 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.818 -1.793 11.591 1.00 0.00 H new ATOM 812 N VAL A 50 -1.982 0.253 8.080 1.00 0.00 N ATOM 813 CA VAL A 50 -2.002 1.494 7.349 1.00 0.00 C ATOM 814 C VAL A 50 -3.338 1.677 6.635 1.00 0.00 C ATOM 815 O VAL A 50 -3.968 2.728 6.759 1.00 0.00 O ATOM 816 CB VAL A 50 -0.793 1.547 6.372 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.899 2.671 5.369 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.472 1.718 7.180 1.00 0.00 C ATOM 0 H VAL A 50 -1.377 -0.456 7.666 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.903 2.328 8.043 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.781 0.615 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.028 2.658 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.803 2.543 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.943 3.625 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.330 1.757 6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.416 2.644 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.584 0.876 7.863 1.00 0.00 H new ATOM 828 N GLU A 51 -3.786 0.628 5.952 1.00 0.00 N ATOM 829 CA GLU A 51 -5.066 0.622 5.243 1.00 0.00 C ATOM 830 C GLU A 51 -6.170 0.923 6.222 1.00 0.00 C ATOM 831 O GLU A 51 -7.008 1.775 5.964 1.00 0.00 O ATOM 832 CB GLU A 51 -5.266 -0.749 4.555 1.00 0.00 C ATOM 833 CG GLU A 51 -6.516 -0.931 3.684 1.00 0.00 C ATOM 834 CD GLU A 51 -7.802 -1.213 4.478 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.731 -1.852 5.556 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.893 -0.860 4.027 1.00 0.00 O ATOM 0 H GLU A 51 -3.270 -0.248 5.873 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.080 1.388 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.392 -0.944 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.282 -1.515 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.662 -0.032 3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.344 -1.753 2.989 1.00 0.00 H new ATOM 843 N GLY A 52 -6.108 0.259 7.372 1.00 0.00 N ATOM 844 CA GLY A 52 -7.072 0.454 8.418 1.00 0.00 C ATOM 845 C GLY A 52 -7.127 1.882 8.863 1.00 0.00 C ATOM 846 O GLY A 52 -8.200 2.446 8.991 1.00 0.00 O ATOM 0 H GLY A 52 -5.385 -0.425 7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.057 0.144 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.821 -0.182 9.267 1.00 0.00 H new ATOM 850 N ASP A 53 -5.966 2.483 9.040 1.00 0.00 N ATOM 851 CA ASP A 53 -5.876 3.872 9.479 1.00 0.00 C ATOM 852 C ASP A 53 -6.585 4.811 8.521 1.00 0.00 C ATOM 853 O ASP A 53 -7.479 5.552 8.922 1.00 0.00 O ATOM 854 CB ASP A 53 -4.441 4.301 9.658 1.00 0.00 C ATOM 855 CG ASP A 53 -4.333 5.679 10.306 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.785 5.849 11.468 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.777 6.613 9.680 1.00 0.00 O ATOM 0 H ASP A 53 -5.064 2.032 8.887 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.378 3.930 10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.918 3.569 10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.943 4.316 8.688 1.00 0.00 H new ATOM 862 N MET A 54 -6.222 4.740 7.260 1.00 0.00 N ATOM 863 CA MET A 54 -6.849 5.575 6.228 1.00 0.00 C ATOM 864 C MET A 54 -8.316 5.250 6.021 1.00 0.00 C ATOM 865 O MET A 54 -9.126 6.148 5.799 1.00 0.00 O ATOM 866 CB MET A 54 -6.056 5.581 4.908 1.00 0.00 C ATOM 867 CG MET A 54 -5.479 4.268 4.488 1.00 0.00 C ATOM 868 SD MET A 54 -3.776 4.458 3.885 1.00 0.00 S ATOM 869 CE MET A 54 -2.988 5.326 5.252 1.00 0.00 C ATOM 0 H MET A 54 -5.495 4.115 6.911 1.00 0.00 H new ATOM 0 HA MET A 54 -6.816 6.596 6.609 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.712 5.938 4.114 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.243 6.301 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.494 3.576 5.330 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.098 3.830 3.705 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.907 5.318 5.113 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.343 6.356 5.282 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.237 4.830 6.190 1.00 0.00 H new ATOM 879 N TYR A 55 -8.658 3.989 6.147 1.00 0.00 N ATOM 880 CA TYR A 55 -10.026 3.524 6.034 1.00 0.00 C ATOM 881 C TYR A 55 -10.864 4.146 7.145 1.00 0.00 C ATOM 882 O TYR A 55 -11.876 4.766 6.906 1.00 0.00 O ATOM 883 CB TYR A 55 -10.017 1.994 6.141 1.00 0.00 C ATOM 884 CG TYR A 55 -11.343 1.297 6.074 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.929 0.979 4.859 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.985 0.909 7.234 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.123 0.294 4.810 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.175 0.236 7.194 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.744 -0.073 5.983 1.00 0.00 C ATOM 890 OH TYR A 55 -14.926 -0.775 5.947 1.00 0.00 O ATOM 0 H TYR A 55 -7.986 3.245 6.334 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.462 3.817 5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.388 1.603 5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.540 1.724 7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.444 1.272 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.539 1.141 8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.569 0.046 3.858 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.666 -0.052 8.112 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.228 -0.954 6.862 1.00 0.00 H new ATOM 900 N GLU A 56 -10.384 4.030 8.347 1.00 0.00 N ATOM 901 CA GLU A 56 -11.075 4.539 9.505 1.00 0.00 C ATOM 902 C GLU A 56 -11.045 6.083 9.570 1.00 0.00 C ATOM 903 O GLU A 56 -11.904 6.698 10.191 1.00 0.00 O ATOM 904 CB GLU A 56 -10.492 3.894 10.762 1.00 0.00 C ATOM 905 CG GLU A 56 -10.722 2.380 10.813 1.00 0.00 C ATOM 906 CD GLU A 56 -9.989 1.686 11.942 1.00 0.00 C ATOM 907 OE1 GLU A 56 -10.174 2.067 13.108 1.00 0.00 O ATOM 908 OE2 GLU A 56 -9.195 0.746 11.681 1.00 0.00 O ATOM 0 H GLU A 56 -9.495 3.577 8.559 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.129 4.271 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.422 4.096 10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.940 4.355 11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.790 2.188 10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.408 1.942 9.865 1.00 0.00 H new ATOM 915 N SER A 57 -10.092 6.687 8.897 1.00 0.00 N ATOM 916 CA SER A 57 -9.932 8.136 8.901 1.00 0.00 C ATOM 917 C SER A 57 -10.829 8.818 7.836 1.00 0.00 C ATOM 918 O SER A 57 -11.469 9.835 8.123 1.00 0.00 O ATOM 919 CB SER A 57 -8.451 8.504 8.665 1.00 0.00 C ATOM 920 OG SER A 57 -8.196 9.885 8.914 1.00 0.00 O ATOM 0 H SER A 57 -9.403 6.194 8.329 1.00 0.00 H new ATOM 0 HA SER A 57 -10.246 8.502 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.819 7.896 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.178 8.265 7.637 1.00 0.00 H new ATOM 0 HG SER A 57 -7.248 10.077 8.755 1.00 0.00 H new ATOM 926 N ALA A 58 -10.891 8.242 6.635 1.00 0.00 N ATOM 927 CA ALA A 58 -11.617 8.827 5.506 1.00 0.00 C ATOM 928 C ALA A 58 -13.110 8.904 5.728 1.00 0.00 C ATOM 929 O ALA A 58 -13.679 8.236 6.610 1.00 0.00 O ATOM 930 CB ALA A 58 -11.359 8.035 4.274 1.00 0.00 C ATOM 0 H ALA A 58 -10.438 7.354 6.417 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.248 9.847 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.902 8.476 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.291 8.039 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.695 7.009 4.424 1.00 0.00 H new ATOM 936 N ASN A 59 -13.747 9.706 4.919 1.00 0.00 N ATOM 937 CA ASN A 59 -15.176 9.922 5.011 1.00 0.00 C ATOM 938 C ASN A 59 -15.887 9.277 3.844 1.00 0.00 C ATOM 939 O ASN A 59 -17.097 9.398 3.700 1.00 0.00 O ATOM 940 CB ASN A 59 -15.499 11.409 5.042 1.00 0.00 C ATOM 941 CG ASN A 59 -14.780 12.181 6.140 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.298 12.349 7.242 1.00 0.00 O ATOM 943 ND2 ASN A 59 -13.582 12.631 5.862 1.00 0.00 N ATOM 0 H ASN A 59 -13.293 10.233 4.173 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.522 9.466 5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.241 11.846 4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.574 11.533 5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.051 13.138 6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.180 12.475 4.937 1.00 0.00 H new ATOM 950 N SER A 60 -15.135 8.605 3.006 1.00 0.00 N ATOM 951 CA SER A 60 -15.657 7.856 1.879 1.00 0.00 C ATOM 952 C SER A 60 -14.593 6.877 1.446 1.00 0.00 C ATOM 953 O SER A 60 -13.411 7.110 1.693 1.00 0.00 O ATOM 954 CB SER A 60 -16.035 8.773 0.709 1.00 0.00 C ATOM 955 OG SER A 60 -17.010 9.759 1.080 1.00 0.00 O ATOM 0 H SER A 60 -14.119 8.560 3.087 1.00 0.00 H new ATOM 0 HA SER A 60 -16.567 7.338 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.140 9.272 0.338 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.426 8.170 -0.110 1.00 0.00 H new ATOM 0 HG SER A 60 -17.416 9.511 1.937 1.00 0.00 H new ATOM 961 N ARG A 61 -14.988 5.781 0.826 1.00 0.00 N ATOM 962 CA ARG A 61 -14.010 4.774 0.396 1.00 0.00 C ATOM 963 C ARG A 61 -13.169 5.284 -0.733 1.00 0.00 C ATOM 964 O ARG A 61 -12.013 4.990 -0.815 1.00 0.00 O ATOM 965 CB ARG A 61 -14.607 3.386 0.048 1.00 0.00 C ATOM 966 CG ARG A 61 -15.515 3.297 -1.176 1.00 0.00 C ATOM 967 CD ARG A 61 -16.711 4.150 -1.031 1.00 0.00 C ATOM 968 NE ARG A 61 -17.716 3.860 -2.052 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.374 4.770 -2.797 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.024 6.058 -2.775 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.341 4.369 -3.610 1.00 0.00 N ATOM 0 H ARG A 61 -15.959 5.558 0.607 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.384 4.606 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.780 2.690 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.172 3.036 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.959 3.597 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.822 2.262 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.145 4.001 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.419 5.198 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.940 2.878 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.248 6.366 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.532 6.734 -3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.581 3.379 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.845 5.050 -4.178 1.00 0.00 H new ATOM 985 N ASP A 62 -13.763 6.073 -1.577 1.00 0.00 N ATOM 986 CA ASP A 62 -13.070 6.704 -2.672 1.00 0.00 C ATOM 987 C ASP A 62 -12.044 7.675 -2.130 1.00 0.00 C ATOM 988 O ASP A 62 -10.953 7.769 -2.656 1.00 0.00 O ATOM 989 CB ASP A 62 -14.071 7.381 -3.608 1.00 0.00 C ATOM 990 CG ASP A 62 -15.063 8.233 -2.865 1.00 0.00 C ATOM 991 OD1 ASP A 62 -15.917 7.650 -2.127 1.00 0.00 O ATOM 992 OD2 ASP A 62 -15.024 9.462 -2.982 1.00 0.00 O ATOM 0 H ASP A 62 -14.756 6.303 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.539 5.954 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.532 7.998 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.604 6.620 -4.178 1.00 0.00 H new ATOM 997 N GLU A 63 -12.386 8.334 -1.022 1.00 0.00 N ATOM 998 CA GLU A 63 -11.463 9.216 -0.323 1.00 0.00 C ATOM 999 C GLU A 63 -10.315 8.419 0.280 1.00 0.00 C ATOM 1000 O GLU A 63 -9.146 8.757 0.088 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.195 10.020 0.763 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.273 10.776 1.714 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.996 11.796 2.533 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.310 12.878 2.013 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.242 11.548 3.713 1.00 0.00 O ATOM 0 H GLU A 63 -13.307 8.269 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.050 9.920 -1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.864 10.733 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.818 9.340 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.782 10.065 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.489 11.268 1.138 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.658 7.334 0.964 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.678 6.508 1.629 1.00 0.00 C ATOM 1014 C TYR A 64 -8.745 5.875 0.610 1.00 0.00 C ATOM 1015 O TYR A 64 -7.531 5.907 0.775 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.386 5.482 2.561 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.114 4.039 2.315 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.036 3.418 2.890 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.945 3.302 1.503 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.788 2.104 2.663 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.703 1.987 1.264 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.617 1.392 1.849 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.358 0.095 1.619 1.00 0.00 O ATOM 0 H TYR A 64 -11.619 7.010 1.068 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.047 7.119 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.104 5.709 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.462 5.641 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.376 3.982 3.532 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.803 3.776 1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.938 1.624 3.125 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.358 1.418 0.621 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.940 -0.301 2.412 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.334 5.356 -0.458 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.608 4.786 -1.556 1.00 0.00 C ATOM 1035 C TYR A 65 -7.719 5.836 -2.179 1.00 0.00 C ATOM 1036 O TYR A 65 -6.569 5.591 -2.361 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.596 4.156 -2.568 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.064 3.820 -3.953 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.753 3.401 -4.183 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -9.899 3.945 -5.035 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.311 3.129 -5.457 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.467 3.680 -6.299 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.173 3.274 -6.512 1.00 0.00 C ATOM 1044 OH TYR A 65 -7.742 3.022 -7.791 1.00 0.00 O ATOM 0 H TYR A 65 -10.347 5.324 -0.576 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.958 3.984 -1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.990 3.240 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.437 4.839 -2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.076 3.289 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.920 4.260 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.295 2.804 -5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.143 3.789 -7.134 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.455 2.576 -8.294 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.252 7.023 -2.413 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.495 8.109 -3.044 1.00 0.00 C ATOM 1056 C HIS A 66 -6.277 8.485 -2.229 1.00 0.00 C ATOM 1057 O HIS A 66 -5.179 8.433 -2.730 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.387 9.342 -3.272 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.713 10.552 -3.853 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.601 11.756 -3.192 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.171 10.746 -5.078 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.016 12.622 -4.013 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.730 12.059 -5.178 1.00 0.00 N ATOM 0 H HIS A 66 -9.213 7.268 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.152 7.744 -4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.205 9.055 -3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.832 9.623 -2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.094 9.999 -5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.802 13.651 -3.763 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.280 12.498 -5.981 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.470 8.812 -0.966 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.369 9.277 -0.141 1.00 0.00 C ATOM 1073 C LEU A 67 -4.320 8.166 0.080 1.00 0.00 C ATOM 1074 O LEU A 67 -3.089 8.438 0.141 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.895 9.923 1.177 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.582 9.020 2.210 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.576 8.381 3.122 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.610 9.779 3.023 1.00 0.00 C ATOM 0 H LEU A 67 -7.371 8.765 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.842 10.069 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.051 10.407 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.599 10.709 0.903 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.100 8.238 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.091 7.747 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.885 7.776 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.021 9.156 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.074 9.105 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.123 10.597 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.374 10.182 2.358 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.783 6.915 0.134 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.881 5.801 0.302 1.00 0.00 C ATOM 1092 C LEU A 68 -3.165 5.555 -1.016 1.00 0.00 C ATOM 1093 O LEU A 68 -1.982 5.218 -1.044 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.628 4.541 0.840 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.280 3.540 -0.117 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.249 2.578 -0.667 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.346 2.772 0.611 1.00 0.00 C ATOM 0 H LEU A 68 -5.768 6.662 0.064 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.132 6.035 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.916 3.983 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.410 4.896 1.511 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.723 4.089 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.733 1.875 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.483 3.135 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.787 2.031 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.810 2.059 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.900 2.236 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.102 3.463 0.984 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.894 5.760 -2.103 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.375 5.648 -3.438 1.00 0.00 C ATOM 1111 C ALA A 69 -2.301 6.680 -3.654 1.00 0.00 C ATOM 1112 O ALA A 69 -1.328 6.426 -4.315 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.475 5.811 -4.466 1.00 0.00 C ATOM 0 H ALA A 69 -4.881 6.013 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.948 4.653 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.053 5.722 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.228 5.037 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.936 6.792 -4.353 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.463 7.838 -3.054 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.468 8.868 -3.175 1.00 0.00 C ATOM 1121 C GLU A 70 -0.205 8.476 -2.430 1.00 0.00 C ATOM 1122 O GLU A 70 0.908 8.667 -2.942 1.00 0.00 O ATOM 1123 CB GLU A 70 -1.964 10.209 -2.678 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.288 10.643 -3.259 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.474 12.117 -3.143 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.990 12.852 -4.033 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -4.061 12.578 -2.159 1.00 0.00 O ATOM 0 H GLU A 70 -3.271 8.085 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.247 8.973 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.054 10.169 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.215 10.967 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.341 10.349 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.100 10.130 -2.743 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.362 7.914 -1.223 1.00 0.00 N ATOM 1135 CA LYS A 71 0.809 7.503 -0.471 1.00 0.00 C ATOM 1136 C LYS A 71 1.508 6.326 -1.151 1.00 0.00 C ATOM 1137 O LYS A 71 2.726 6.286 -1.216 1.00 0.00 O ATOM 1138 CB LYS A 71 0.527 7.276 1.058 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.334 6.063 1.472 1.00 0.00 C ATOM 1140 CD LYS A 71 0.438 4.728 1.512 1.00 0.00 C ATOM 1141 CE LYS A 71 1.634 4.743 2.472 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.285 5.046 3.878 1.00 0.00 N ATOM 0 H LYS A 71 -1.259 7.742 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 71 1.509 8.338 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.489 7.189 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.044 8.174 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.761 6.253 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.167 5.968 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.245 3.931 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.791 4.491 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.127 3.772 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.356 5.481 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.957 4.569 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.331 6.073 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.322 4.709 4.077 1.00 0.00 H new ATOM 1156 N ILE A 72 0.737 5.398 -1.696 1.00 0.00 N ATOM 1157 CA ILE A 72 1.333 4.281 -2.402 1.00 0.00 C ATOM 1158 C ILE A 72 2.049 4.767 -3.677 1.00 0.00 C ATOM 1159 O ILE A 72 3.202 4.453 -3.884 1.00 0.00 O ATOM 1160 CB ILE A 72 0.324 3.104 -2.705 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.036 1.964 -3.361 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.811 3.514 -3.554 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.147 0.848 -3.816 1.00 0.00 C ATOM 0 H ILE A 72 -0.282 5.396 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 72 2.074 3.850 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.081 2.798 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.587 2.345 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.771 1.563 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.466 2.659 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.370 4.306 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.437 3.880 -4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.751 0.067 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.386 0.435 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.572 1.228 -4.541 1.00 0.00 H new ATOM 1175 N TYR A 73 1.364 5.589 -4.464 1.00 0.00 N ATOM 1176 CA TYR A 73 1.877 6.192 -5.699 1.00 0.00 C ATOM 1177 C TYR A 73 3.223 6.887 -5.477 1.00 0.00 C ATOM 1178 O TYR A 73 4.220 6.621 -6.216 1.00 0.00 O ATOM 1179 CB TYR A 73 0.805 7.181 -6.220 1.00 0.00 C ATOM 1180 CG TYR A 73 1.205 8.195 -7.272 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.826 9.377 -6.899 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.917 8.002 -8.614 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.161 10.333 -7.819 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.255 8.960 -9.553 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.878 10.123 -9.144 1.00 0.00 C ATOM 1186 OH TYR A 73 2.226 11.075 -10.064 1.00 0.00 O ATOM 0 H TYR A 73 0.404 5.866 -4.257 1.00 0.00 H new ATOM 0 HA TYR A 73 2.063 5.415 -6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.020 6.593 -6.623 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.416 7.730 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.051 9.548 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.424 7.095 -8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.645 11.246 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.033 8.800 -10.598 1.00 0.00 H new ATOM 0 HH TYR A 73 1.959 10.778 -10.959 1.00 0.00 H new ATOM 1196 N LYS A 74 3.271 7.757 -4.463 1.00 0.00 N ATOM 1197 CA LYS A 74 4.474 8.498 -4.181 1.00 0.00 C ATOM 1198 C LYS A 74 5.573 7.551 -3.752 1.00 0.00 C ATOM 1199 O LYS A 74 6.691 7.704 -4.183 1.00 0.00 O ATOM 1200 CB LYS A 74 4.255 9.626 -3.140 1.00 0.00 C ATOM 1201 CG LYS A 74 4.014 9.157 -1.714 1.00 0.00 C ATOM 1202 CD LYS A 74 3.794 10.320 -0.738 1.00 0.00 C ATOM 1203 CE LYS A 74 2.577 11.160 -1.095 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.378 12.278 -0.145 1.00 0.00 N ATOM 0 H LYS A 74 2.491 7.955 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 74 4.777 8.998 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.128 10.279 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.403 10.229 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.144 8.501 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.867 8.565 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.675 9.925 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.680 10.955 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.694 11.557 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.689 10.528 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.539 12.825 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.241 11.899 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.214 12.896 -0.157 1.00 0.00 H new ATOM 1218 N ILE A 75 5.216 6.526 -2.964 1.00 0.00 N ATOM 1219 CA ILE A 75 6.157 5.518 -2.504 1.00 0.00 C ATOM 1220 C ILE A 75 6.717 4.703 -3.683 1.00 0.00 C ATOM 1221 O ILE A 75 7.889 4.377 -3.697 1.00 0.00 O ATOM 1222 CB ILE A 75 5.522 4.593 -1.389 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.816 5.112 0.037 1.00 0.00 C ATOM 1224 CG2 ILE A 75 5.984 3.158 -1.506 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.431 6.546 0.317 1.00 0.00 C ATOM 0 H ILE A 75 4.262 6.381 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 75 6.997 6.035 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 75 4.446 4.627 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.295 4.472 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.883 5.000 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.522 2.562 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.696 2.761 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.068 3.115 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.685 6.796 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.971 7.207 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.359 6.671 0.167 1.00 0.00 H new ATOM 1237 N GLN A 76 5.881 4.425 -4.675 1.00 0.00 N ATOM 1238 CA GLN A 76 6.300 3.681 -5.876 1.00 0.00 C ATOM 1239 C GLN A 76 7.427 4.443 -6.581 1.00 0.00 C ATOM 1240 O GLN A 76 8.547 3.930 -6.787 1.00 0.00 O ATOM 1241 CB GLN A 76 5.114 3.523 -6.829 1.00 0.00 C ATOM 1242 CG GLN A 76 3.933 2.810 -6.246 1.00 0.00 C ATOM 1243 CD GLN A 76 4.043 1.318 -6.239 1.00 0.00 C ATOM 1244 OE1 GLN A 76 5.124 0.747 -6.175 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.904 0.674 -6.269 1.00 0.00 N ATOM 0 H GLN A 76 4.899 4.702 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 76 6.656 2.694 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.797 4.512 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.447 2.982 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.787 3.155 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.042 3.092 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.027 1.192 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.894 -0.345 -6.239 1.00 0.00 H new ATOM 1254 N LYS A 77 7.162 5.689 -6.902 1.00 0.00 N ATOM 1255 CA LYS A 77 8.178 6.486 -7.543 1.00 0.00 C ATOM 1256 C LYS A 77 9.336 6.840 -6.595 1.00 0.00 C ATOM 1257 O LYS A 77 10.474 6.985 -7.023 1.00 0.00 O ATOM 1258 CB LYS A 77 7.565 7.666 -8.273 1.00 0.00 C ATOM 1259 CG LYS A 77 6.506 8.404 -7.493 1.00 0.00 C ATOM 1260 CD LYS A 77 5.661 9.274 -8.378 1.00 0.00 C ATOM 1261 CE LYS A 77 4.947 8.480 -9.493 1.00 0.00 C ATOM 1262 NZ LYS A 77 5.678 8.477 -10.796 1.00 0.00 N ATOM 0 H LYS A 77 6.274 6.162 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 77 8.652 5.880 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.358 8.366 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.129 7.312 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.870 7.686 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.981 9.018 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.916 9.788 -7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.288 10.042 -8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.810 7.451 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.953 8.901 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.993 8.474 -11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.274 9.327 -10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.276 7.629 -10.856 1.00 0.00 H new ATOM 1276 N GLU A 78 9.032 6.904 -5.301 1.00 0.00 N ATOM 1277 CA GLU A 78 10.016 7.160 -4.252 1.00 0.00 C ATOM 1278 C GLU A 78 11.019 6.007 -4.233 1.00 0.00 C ATOM 1279 O GLU A 78 12.237 6.219 -4.187 1.00 0.00 O ATOM 1280 CB GLU A 78 9.308 7.190 -2.896 1.00 0.00 C ATOM 1281 CG GLU A 78 10.070 7.837 -1.764 1.00 0.00 C ATOM 1282 CD GLU A 78 10.147 9.338 -1.891 1.00 0.00 C ATOM 1283 OE1 GLU A 78 9.172 10.035 -1.528 1.00 0.00 O ATOM 1284 OE2 GLU A 78 11.182 9.859 -2.333 1.00 0.00 O ATOM 0 H GLU A 78 8.084 6.778 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 78 10.517 8.110 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.360 7.714 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.072 6.165 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.592 7.581 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.080 7.428 -1.732 1.00 0.00 H new ATOM 1291 N LEU A 79 10.492 4.775 -4.290 1.00 0.00 N ATOM 1292 CA LEU A 79 11.306 3.590 -4.238 1.00 0.00 C ATOM 1293 C LEU A 79 12.206 3.481 -5.424 1.00 0.00 C ATOM 1294 O LEU A 79 13.402 3.208 -5.248 1.00 0.00 O ATOM 1295 CB LEU A 79 10.496 2.269 -3.978 1.00 0.00 C ATOM 1296 CG LEU A 79 9.432 1.816 -4.995 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.028 1.050 -6.166 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.377 0.996 -4.325 1.00 0.00 C ATOM 0 H LEU A 79 9.492 4.591 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 79 11.939 3.709 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.218 1.458 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.000 2.375 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 79 8.981 2.722 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.233 0.756 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.742 1.685 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.537 0.160 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.635 0.686 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.833 0.114 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.893 1.589 -3.549 1.00 0.00 H new ATOM 1310 N GLU A 80 11.680 3.731 -6.612 1.00 0.00 N ATOM 1311 CA GLU A 80 12.506 3.610 -7.793 1.00 0.00 C ATOM 1312 C GLU A 80 13.584 4.685 -7.868 1.00 0.00 C ATOM 1313 O GLU A 80 14.754 4.364 -8.112 1.00 0.00 O ATOM 1314 CB GLU A 80 11.704 3.508 -9.087 1.00 0.00 C ATOM 1315 CG GLU A 80 10.708 4.613 -9.308 1.00 0.00 C ATOM 1316 CD GLU A 80 10.202 4.638 -10.720 1.00 0.00 C ATOM 1317 OE1 GLU A 80 9.605 3.652 -11.172 1.00 0.00 O ATOM 1318 OE2 GLU A 80 10.458 5.634 -11.428 1.00 0.00 O ATOM 0 H GLU A 80 10.713 4.011 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 80 13.021 2.655 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.399 3.493 -9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.174 2.555 -9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.869 4.487 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.171 5.571 -9.071 1.00 0.00 H new ATOM 1325 N GLU A 81 13.227 5.946 -7.586 1.00 0.00 N ATOM 1326 CA GLU A 81 14.206 7.025 -7.660 1.00 0.00 C ATOM 1327 C GLU A 81 15.333 6.807 -6.648 1.00 0.00 C ATOM 1328 O GLU A 81 16.494 6.984 -6.965 1.00 0.00 O ATOM 1329 CB GLU A 81 13.571 8.437 -7.500 1.00 0.00 C ATOM 1330 CG GLU A 81 12.972 8.741 -6.129 1.00 0.00 C ATOM 1331 CD GLU A 81 12.384 10.133 -6.039 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.143 11.108 -5.819 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.150 10.286 -6.183 1.00 0.00 O ATOM 0 H GLU A 81 12.288 6.234 -7.311 1.00 0.00 H new ATOM 0 HA GLU A 81 14.628 6.994 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.334 9.185 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.789 8.551 -8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.196 8.009 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.744 8.628 -5.368 1.00 0.00 H new ATOM 1340 N LYS A 82 14.989 6.347 -5.449 1.00 0.00 N ATOM 1341 CA LYS A 82 15.994 6.144 -4.417 1.00 0.00 C ATOM 1342 C LYS A 82 16.852 4.916 -4.709 1.00 0.00 C ATOM 1343 O LYS A 82 18.013 4.861 -4.319 1.00 0.00 O ATOM 1344 CB LYS A 82 15.354 6.096 -3.002 1.00 0.00 C ATOM 1345 CG LYS A 82 14.559 4.830 -2.673 1.00 0.00 C ATOM 1346 CD LYS A 82 15.413 3.817 -1.920 1.00 0.00 C ATOM 1347 CE LYS A 82 15.355 2.433 -2.532 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.979 1.929 -2.750 1.00 0.00 N ATOM 0 H LYS A 82 14.036 6.111 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 82 16.663 7.005 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.146 6.207 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.693 6.956 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.688 5.091 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.188 4.382 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.448 4.160 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.079 3.766 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.882 2.446 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.888 1.737 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.014 0.918 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.421 2.058 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.535 2.457 -3.529 1.00 0.00 H new ATOM 1362 N ARG A 83 16.266 3.933 -5.382 1.00 0.00 N ATOM 1363 CA ARG A 83 16.970 2.701 -5.717 1.00 0.00 C ATOM 1364 C ARG A 83 17.918 2.915 -6.883 1.00 0.00 C ATOM 1365 O ARG A 83 19.053 2.430 -6.870 1.00 0.00 O ATOM 1366 CB ARG A 83 15.971 1.578 -6.068 1.00 0.00 C ATOM 1367 CG ARG A 83 16.602 0.227 -6.431 1.00 0.00 C ATOM 1368 CD ARG A 83 17.324 -0.409 -5.254 1.00 0.00 C ATOM 1369 NE ARG A 83 17.924 -1.694 -5.624 1.00 0.00 N ATOM 1370 CZ ARG A 83 18.062 -2.751 -4.806 1.00 0.00 C ATOM 1371 NH1 ARG A 83 17.622 -2.712 -3.551 1.00 0.00 N ATOM 1372 NH2 ARG A 83 18.635 -3.843 -5.265 1.00 0.00 N ATOM 0 H ARG A 83 15.300 3.966 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 83 17.548 2.406 -4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.302 1.431 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.357 1.910 -6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.825 -0.450 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.304 0.366 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.100 0.266 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.623 -0.556 -4.432 1.00 0.00 H new ATOM 0 HE ARG A 83 18.265 -1.794 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.171 -1.869 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.736 -3.525 -2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.967 -3.878 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.747 -4.654 -4.657 1.00 0.00 H new ATOM 1386 N ARG A 84 17.458 3.635 -7.884 1.00 0.00 N ATOM 1387 CA ARG A 84 18.232 3.782 -9.092 1.00 0.00 C ATOM 1388 C ARG A 84 19.162 4.986 -9.042 1.00 0.00 C ATOM 1389 O ARG A 84 20.381 4.821 -9.091 1.00 0.00 O ATOM 1390 CB ARG A 84 17.295 3.888 -10.306 1.00 0.00 C ATOM 1391 CG ARG A 84 18.001 3.830 -11.650 1.00 0.00 C ATOM 1392 CD ARG A 84 18.715 2.501 -11.810 1.00 0.00 C ATOM 1393 NE ARG A 84 19.333 2.339 -13.118 1.00 0.00 N ATOM 1394 CZ ARG A 84 20.027 1.269 -13.494 1.00 0.00 C ATOM 1395 NH1 ARG A 84 20.126 0.216 -12.677 1.00 0.00 N ATOM 1396 NH2 ARG A 84 20.580 1.228 -14.700 1.00 0.00 N ATOM 0 H ARG A 84 16.562 4.122 -7.884 1.00 0.00 H new ATOM 0 HA ARG A 84 18.858 2.895 -9.186 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.565 3.080 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.740 4.824 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.278 3.962 -12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.717 4.648 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.481 2.412 -11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.004 1.691 -11.648 1.00 0.00 H new ATOM 0 HE ARG A 84 19.226 3.098 -13.792 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.669 0.233 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 84 20.658 -0.605 -12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.472 2.017 -15.337 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.113 0.408 -14.989 1.00 0.00 H new ATOM 1410 N SER A 85 18.601 6.169 -8.863 1.00 0.00 N ATOM 1411 CA SER A 85 19.374 7.386 -8.918 1.00 0.00 C ATOM 1412 C SER A 85 18.499 8.590 -8.573 1.00 0.00 C ATOM 1413 O SER A 85 17.620 8.981 -9.350 1.00 0.00 O ATOM 1414 CB SER A 85 19.982 7.566 -10.331 1.00 0.00 C ATOM 1415 OG SER A 85 20.804 8.724 -10.423 1.00 0.00 O ATOM 0 H SER A 85 17.608 6.307 -8.678 1.00 0.00 H new ATOM 0 HA SER A 85 20.180 7.318 -8.188 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.571 6.685 -10.586 1.00 0.00 H new ATOM 0 HB3 SER A 85 19.178 7.635 -11.064 1.00 0.00 H new ATOM 0 HG SER A 85 21.167 8.796 -11.330 1.00 0.00 H new ATOM 1421 N ARG A 86 18.680 9.110 -7.385 1.00 0.00 N ATOM 1422 CA ARG A 86 18.026 10.341 -6.982 1.00 0.00 C ATOM 1423 C ARG A 86 19.082 11.358 -6.594 1.00 0.00 C ATOM 1424 O ARG A 86 18.848 12.564 -6.647 1.00 0.00 O ATOM 1425 CB ARG A 86 17.008 10.131 -5.838 1.00 0.00 C ATOM 1426 CG ARG A 86 17.602 9.614 -4.544 1.00 0.00 C ATOM 1427 CD ARG A 86 16.537 9.375 -3.485 1.00 0.00 C ATOM 1428 NE ARG A 86 15.918 10.598 -2.972 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.643 10.695 -2.559 1.00 0.00 C ATOM 1430 NH1 ARG A 86 13.765 9.732 -2.845 1.00 0.00 N ATOM 1431 NH2 ARG A 86 14.250 11.770 -1.906 1.00 0.00 N ATOM 0 H ARG A 86 19.280 8.699 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 86 17.449 10.711 -7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 86 16.507 11.078 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.243 9.431 -6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.137 8.684 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.333 10.330 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.760 8.736 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.983 8.830 -2.653 1.00 0.00 H new ATOM 0 HE ARG A 86 16.496 11.437 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.060 8.915 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.799 9.812 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.912 12.522 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.284 11.850 -1.590 1.00 0.00 H new ATOM 1445 N LEU A 87 20.251 10.870 -6.201 1.00 0.00 N ATOM 1446 CA LEU A 87 21.369 11.750 -5.869 1.00 0.00 C ATOM 1447 C LEU A 87 22.091 12.154 -7.137 1.00 0.00 C ATOM 1448 O LEU A 87 22.200 11.342 -8.073 1.00 0.00 O ATOM 1449 CB LEU A 87 22.383 11.101 -4.892 1.00 0.00 C ATOM 1450 CG LEU A 87 21.936 10.839 -3.438 1.00 0.00 C ATOM 1451 CD1 LEU A 87 20.978 9.666 -3.329 1.00 0.00 C ATOM 1452 CD2 LEU A 87 23.144 10.616 -2.560 1.00 0.00 C ATOM 0 H LEU A 87 20.452 9.875 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 87 20.947 12.621 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 87 22.694 10.148 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 87 23.266 11.739 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 87 21.396 11.723 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 87 20.694 9.524 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.087 9.868 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 87 21.464 8.763 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 87 22.820 10.432 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 87 23.704 9.755 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 87 23.781 11.500 -2.586 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 16.635 6.261 15.233 1.00 0.00 N ATOM 1466 CA GLY B 101 16.440 7.331 16.186 1.00 0.00 C ATOM 1467 C GLY B 101 15.540 8.409 15.630 1.00 0.00 C ATOM 1468 O GLY B 101 14.680 8.125 14.779 1.00 0.00 O ATOM 0 HA2 GLY B 101 16.006 6.930 17.102 1.00 0.00 H new ATOM 0 HA3 GLY B 101 17.405 7.763 16.453 1.00 0.00 H new ATOM 1472 N SER B 102 15.765 9.635 16.046 1.00 0.00 N ATOM 1473 CA SER B 102 14.962 10.774 15.635 1.00 0.00 C ATOM 1474 C SER B 102 15.033 10.977 14.129 1.00 0.00 C ATOM 1475 O SER B 102 14.028 11.180 13.463 1.00 0.00 O ATOM 1476 CB SER B 102 15.454 12.003 16.380 1.00 0.00 C ATOM 1477 OG SER B 102 16.876 12.054 16.355 1.00 0.00 O ATOM 0 H SER B 102 16.520 9.876 16.688 1.00 0.00 H new ATOM 0 HA SER B 102 13.915 10.594 15.881 1.00 0.00 H new ATOM 0 HB2 SER B 102 15.042 12.903 15.924 1.00 0.00 H new ATOM 0 HB3 SER B 102 15.101 11.978 17.411 1.00 0.00 H new ATOM 0 HG SER B 102 17.183 12.850 16.836 1.00 0.00 H new ATOM 1483 N MET B 103 16.222 10.824 13.597 1.00 0.00 N ATOM 1484 CA MET B 103 16.473 10.984 12.169 1.00 0.00 C ATOM 1485 C MET B 103 15.881 9.830 11.346 1.00 0.00 C ATOM 1486 O MET B 103 15.896 9.860 10.125 1.00 0.00 O ATOM 1487 CB MET B 103 17.977 11.120 11.910 1.00 0.00 C ATOM 1488 CG MET B 103 18.801 9.886 12.250 1.00 0.00 C ATOM 1489 SD MET B 103 20.577 10.191 12.137 1.00 0.00 S ATOM 1490 CE MET B 103 20.714 10.792 10.449 1.00 0.00 C ATOM 0 H MET B 103 17.053 10.584 14.138 1.00 0.00 H new ATOM 0 HA MET B 103 15.972 11.896 11.845 1.00 0.00 H new ATOM 0 HB2 MET B 103 18.129 11.362 10.858 1.00 0.00 H new ATOM 0 HB3 MET B 103 18.356 11.962 12.489 1.00 0.00 H new ATOM 0 HG2 MET B 103 18.555 9.555 13.259 1.00 0.00 H new ATOM 0 HG3 MET B 103 18.531 9.075 11.574 1.00 0.00 H new ATOM 0 HE1 MET B 103 21.759 10.771 10.139 1.00 0.00 H new ATOM 0 HE2 MET B 103 20.126 10.156 9.787 1.00 0.00 H new ATOM 0 HE3 MET B 103 20.340 11.814 10.395 1.00 0.00 H new ATOM 1500 N SER B 104 15.369 8.830 12.017 1.00 0.00 N ATOM 1501 CA SER B 104 14.771 7.711 11.359 1.00 0.00 C ATOM 1502 C SER B 104 13.250 7.807 11.489 1.00 0.00 C ATOM 1503 O SER B 104 12.521 7.814 10.499 1.00 0.00 O ATOM 1504 CB SER B 104 15.262 6.421 12.017 1.00 0.00 C ATOM 1505 OG SER B 104 16.668 6.467 12.213 1.00 0.00 O ATOM 0 H SER B 104 15.358 8.774 13.035 1.00 0.00 H new ATOM 0 HA SER B 104 15.047 7.709 10.304 1.00 0.00 H new ATOM 0 HB2 SER B 104 14.760 6.280 12.974 1.00 0.00 H new ATOM 0 HB3 SER B 104 15.004 5.566 11.392 1.00 0.00 H new ATOM 0 HG SER B 104 16.867 6.412 13.171 1.00 0.00 H new ATOM 1511 N HIS B 105 12.789 7.945 12.716 1.00 0.00 N ATOM 1512 CA HIS B 105 11.362 7.904 13.016 1.00 0.00 C ATOM 1513 C HIS B 105 10.694 9.271 12.893 1.00 0.00 C ATOM 1514 O HIS B 105 9.472 9.365 12.896 1.00 0.00 O ATOM 1515 CB HIS B 105 11.127 7.337 14.420 1.00 0.00 C ATOM 1516 CG HIS B 105 11.730 5.981 14.653 1.00 0.00 C ATOM 1517 ND1 HIS B 105 12.733 5.738 15.565 1.00 0.00 N ATOM 1518 CD2 HIS B 105 11.452 4.789 14.075 1.00 0.00 C ATOM 1519 CE1 HIS B 105 13.038 4.443 15.516 1.00 0.00 C ATOM 1520 NE2 HIS B 105 12.285 3.812 14.622 1.00 0.00 N ATOM 0 H HIS B 105 13.384 8.088 13.532 1.00 0.00 H new ATOM 0 HA HIS B 105 10.905 7.251 12.273 1.00 0.00 H new ATOM 0 HB2 HIS B 105 11.536 8.033 15.152 1.00 0.00 H new ATOM 0 HB3 HIS B 105 10.053 7.279 14.600 1.00 0.00 H new ATOM 0 HD2 HIS B 105 10.705 4.621 13.313 1.00 0.00 H new ATOM 0 HE1 HIS B 105 13.796 3.969 16.122 1.00 0.00 H new ATOM 0 HE2 HIS B 105 12.310 2.820 14.385 1.00 0.00 H new ATOM 1528 N TYR B 106 11.469 10.326 12.801 1.00 0.00 N ATOM 1529 CA TYR B 106 10.886 11.657 12.672 1.00 0.00 C ATOM 1530 C TYR B 106 11.676 12.443 11.621 1.00 0.00 C ATOM 1531 O TYR B 106 11.628 13.663 11.547 1.00 0.00 O ATOM 1532 CB TYR B 106 10.907 12.355 14.050 1.00 0.00 C ATOM 1533 CG TYR B 106 9.916 13.498 14.224 1.00 0.00 C ATOM 1534 CD1 TYR B 106 8.582 13.232 14.514 1.00 0.00 C ATOM 1535 CD2 TYR B 106 10.310 14.829 14.123 1.00 0.00 C ATOM 1536 CE1 TYR B 106 7.670 14.253 14.693 1.00 0.00 C ATOM 1537 CE2 TYR B 106 9.402 15.857 14.305 1.00 0.00 C ATOM 1538 CZ TYR B 106 8.083 15.563 14.588 1.00 0.00 C ATOM 1539 OH TYR B 106 7.171 16.587 14.779 1.00 0.00 O ATOM 0 H TYR B 106 12.489 10.300 12.812 1.00 0.00 H new ATOM 0 HA TYR B 106 9.848 11.598 12.343 1.00 0.00 H new ATOM 0 HB2 TYR B 106 10.711 11.608 14.819 1.00 0.00 H new ATOM 0 HB3 TYR B 106 11.912 12.739 14.228 1.00 0.00 H new ATOM 0 HD1 TYR B 106 8.253 12.207 14.601 1.00 0.00 H new ATOM 0 HD2 TYR B 106 11.340 15.063 13.899 1.00 0.00 H new ATOM 0 HE1 TYR B 106 6.638 14.026 14.914 1.00 0.00 H new ATOM 0 HE2 TYR B 106 9.724 16.885 14.226 1.00 0.00 H new ATOM 0 HH TYR B 106 7.622 17.451 14.672 1.00 0.00 H new ATOM 1549 N GLY B 107 12.368 11.714 10.784 1.00 0.00 N ATOM 1550 CA GLY B 107 13.154 12.321 9.747 1.00 0.00 C ATOM 1551 C GLY B 107 13.025 11.539 8.481 1.00 0.00 C ATOM 1552 O GLY B 107 13.957 10.842 8.098 1.00 0.00 O ATOM 0 H GLY B 107 12.402 10.695 10.803 1.00 0.00 H new ATOM 0 HA2 GLY B 107 12.825 13.348 9.585 1.00 0.00 H new ATOM 0 HA3 GLY B 107 14.200 12.365 10.051 1.00 0.00 H new ATOM 1556 N ASN B 108 11.869 11.676 7.837 1.00 0.00 N ATOM 1557 CA ASN B 108 11.491 10.908 6.645 1.00 0.00 C ATOM 1558 C ASN B 108 11.396 9.443 7.005 1.00 0.00 C ATOM 1559 O ASN B 108 12.318 8.644 6.757 1.00 0.00 O ATOM 1560 CB ASN B 108 12.437 11.131 5.440 1.00 0.00 C ATOM 1561 CG ASN B 108 11.837 10.634 4.128 1.00 0.00 C ATOM 1562 OD1 ASN B 108 10.988 9.733 4.107 1.00 0.00 O ATOM 1563 ND2 ASN B 108 12.291 11.186 3.024 1.00 0.00 N ATOM 0 H ASN B 108 11.151 12.337 8.132 1.00 0.00 H new ATOM 0 HA ASN B 108 10.518 11.273 6.316 1.00 0.00 H new ATOM 0 HB2 ASN B 108 12.665 12.193 5.352 1.00 0.00 H new ATOM 0 HB3 ASN B 108 13.381 10.617 5.623 1.00 0.00 H new ATOM 0 HD21 ASN B 108 11.943 10.874 2.117 1.00 0.00 H new ATOM 0 HD22 ASN B 108 12.991 11.926 3.074 1.00 0.00 H new ATOM 1570 N GLN B 109 10.299 9.103 7.663 1.00 0.00 N ATOM 1571 CA GLN B 109 10.064 7.744 8.097 1.00 0.00 C ATOM 1572 C GLN B 109 9.968 6.832 6.904 1.00 0.00 C ATOM 1573 O GLN B 109 10.673 5.833 6.815 1.00 0.00 O ATOM 1574 CB GLN B 109 8.735 7.564 8.865 1.00 0.00 C ATOM 1575 CG GLN B 109 8.474 8.433 10.085 1.00 0.00 C ATOM 1576 CD GLN B 109 8.170 9.870 9.745 1.00 0.00 C ATOM 1577 OE1 GLN B 109 7.661 10.167 8.678 1.00 0.00 O ATOM 1578 NE2 GLN B 109 8.419 10.746 10.660 1.00 0.00 N ATOM 0 H GLN B 109 9.556 9.758 7.907 1.00 0.00 H new ATOM 0 HA GLN B 109 10.901 7.505 8.753 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.921 7.731 8.160 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.674 6.523 9.182 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.638 8.016 10.646 1.00 0.00 H new ATOM 0 HG3 GLN B 109 9.345 8.399 10.739 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.846 10.457 11.540 1.00 0.00 H new ATOM 0 HE22 GLN B 109 8.189 11.727 10.503 1.00 0.00 H new ATOM 1587 N THR B 110 9.132 7.220 5.961 1.00 0.00 N ATOM 1588 CA THR B 110 8.754 6.344 4.901 1.00 0.00 C ATOM 1589 C THR B 110 9.898 6.018 3.930 1.00 0.00 C ATOM 1590 O THR B 110 9.982 4.893 3.482 1.00 0.00 O ATOM 1591 CB THR B 110 7.458 6.819 4.160 1.00 0.00 C ATOM 1592 OG1 THR B 110 6.890 5.742 3.398 1.00 0.00 O ATOM 1593 CG2 THR B 110 7.732 7.992 3.222 1.00 0.00 C ATOM 0 H THR B 110 8.706 8.146 5.919 1.00 0.00 H new ATOM 0 HA THR B 110 8.509 5.399 5.386 1.00 0.00 H new ATOM 0 HB THR B 110 6.758 7.145 4.929 1.00 0.00 H new ATOM 0 HG1 THR B 110 5.918 5.855 3.346 1.00 0.00 H new ATOM 0 HG21 THR B 110 6.806 8.288 2.730 1.00 0.00 H new ATOM 0 HG22 THR B 110 8.123 8.833 3.795 1.00 0.00 H new ATOM 0 HG23 THR B 110 8.463 7.694 2.471 1.00 0.00 H new ATOM 1601 N LEU B 111 10.805 6.961 3.647 1.00 0.00 N ATOM 1602 CA LEU B 111 11.884 6.663 2.686 1.00 0.00 C ATOM 1603 C LEU B 111 12.860 5.660 3.268 1.00 0.00 C ATOM 1604 O LEU B 111 13.288 4.727 2.593 1.00 0.00 O ATOM 1605 CB LEU B 111 12.642 7.924 2.263 1.00 0.00 C ATOM 1606 CG LEU B 111 13.804 7.728 1.281 1.00 0.00 C ATOM 1607 CD1 LEU B 111 13.307 7.238 -0.063 1.00 0.00 C ATOM 1608 CD2 LEU B 111 14.594 9.011 1.129 1.00 0.00 C ATOM 0 H LEU B 111 10.821 7.899 4.047 1.00 0.00 H new ATOM 0 HA LEU B 111 11.409 6.239 1.801 1.00 0.00 H new ATOM 0 HB2 LEU B 111 11.929 8.616 1.814 1.00 0.00 H new ATOM 0 HB3 LEU B 111 13.031 8.405 3.160 1.00 0.00 H new ATOM 0 HG LEU B 111 14.466 6.964 1.689 1.00 0.00 H new ATOM 0 HD11 LEU B 111 14.153 7.108 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU B 111 12.794 6.284 0.064 1.00 0.00 H new ATOM 0 HD13 LEU B 111 12.616 7.968 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU B 111 15.414 8.853 0.429 1.00 0.00 H new ATOM 0 HD22 LEU B 111 13.941 9.798 0.751 1.00 0.00 H new ATOM 0 HD23 LEU B 111 14.996 9.307 2.098 1.00 0.00 H new ATOM 1620 N GLN B 112 13.177 5.840 4.520 1.00 0.00 N ATOM 1621 CA GLN B 112 14.134 4.994 5.195 1.00 0.00 C ATOM 1622 C GLN B 112 13.537 3.637 5.536 1.00 0.00 C ATOM 1623 O GLN B 112 14.228 2.604 5.472 1.00 0.00 O ATOM 1624 CB GLN B 112 14.699 5.732 6.391 1.00 0.00 C ATOM 1625 CG GLN B 112 15.496 6.950 5.941 1.00 0.00 C ATOM 1626 CD GLN B 112 15.936 7.872 7.052 1.00 0.00 C ATOM 1627 OE1 GLN B 112 15.120 8.039 8.050 1.00 0.00 O flip ATOM 1628 NE2 GLN B 112 16.995 8.496 6.960 1.00 0.00 N flip ATOM 0 H GLN B 112 12.782 6.576 5.105 1.00 0.00 H new ATOM 0 HA GLN B 112 14.967 4.773 4.527 1.00 0.00 H new ATOM 0 HB2 GLN B 112 13.888 6.044 7.049 1.00 0.00 H new ATOM 0 HB3 GLN B 112 15.339 5.065 6.968 1.00 0.00 H new ATOM 0 HG2 GLN B 112 16.380 6.608 5.402 1.00 0.00 H new ATOM 0 HG3 GLN B 112 14.892 7.520 5.235 1.00 0.00 H new ATOM 0 HE21 GLN B 112 17.612 8.340 6.163 1.00 0.00 H new ATOM 0 HE22 GLN B 112 17.255 9.169 7.681 1.00 0.00 H new ATOM 1637 N ASP B 113 12.256 3.637 5.843 1.00 0.00 N ATOM 1638 CA ASP B 113 11.501 2.404 6.083 1.00 0.00 C ATOM 1639 C ASP B 113 11.447 1.586 4.792 1.00 0.00 C ATOM 1640 O ASP B 113 11.748 0.386 4.766 1.00 0.00 O ATOM 1641 CB ASP B 113 10.082 2.756 6.537 1.00 0.00 C ATOM 1642 CG ASP B 113 9.214 1.554 6.797 1.00 0.00 C ATOM 1643 OD1 ASP B 113 8.608 1.033 5.856 1.00 0.00 O ATOM 1644 OD2 ASP B 113 9.094 1.131 7.964 1.00 0.00 O ATOM 0 H ASP B 113 11.700 4.487 5.935 1.00 0.00 H new ATOM 0 HA ASP B 113 11.990 1.818 6.861 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.139 3.355 7.446 1.00 0.00 H new ATOM 0 HB3 ASP B 113 9.610 3.376 5.775 1.00 0.00 H new ATOM 1649 N LEU B 114 11.126 2.276 3.713 1.00 0.00 N ATOM 1650 CA LEU B 114 11.035 1.697 2.381 1.00 0.00 C ATOM 1651 C LEU B 114 12.410 1.227 1.918 1.00 0.00 C ATOM 1652 O LEU B 114 12.530 0.294 1.138 1.00 0.00 O ATOM 1653 CB LEU B 114 10.462 2.754 1.438 1.00 0.00 C ATOM 1654 CG LEU B 114 10.245 2.409 -0.025 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.340 1.191 -0.177 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.639 3.626 -0.708 1.00 0.00 C ATOM 0 H LEU B 114 10.917 3.274 3.736 1.00 0.00 H new ATOM 0 HA LEU B 114 10.379 0.827 2.387 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.502 3.070 1.846 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.124 3.619 1.475 1.00 0.00 H new ATOM 0 HG LEU B 114 11.197 2.153 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.204 0.969 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.797 0.334 0.318 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.371 1.398 0.278 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.472 3.406 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.689 3.874 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.321 4.471 -0.617 1.00 0.00 H new ATOM 1668 N LEU B 115 13.443 1.881 2.415 1.00 0.00 N ATOM 1669 CA LEU B 115 14.810 1.503 2.128 1.00 0.00 C ATOM 1670 C LEU B 115 15.126 0.168 2.819 1.00 0.00 C ATOM 1671 O LEU B 115 15.805 -0.692 2.246 1.00 0.00 O ATOM 1672 CB LEU B 115 15.777 2.609 2.588 1.00 0.00 C ATOM 1673 CG LEU B 115 17.258 2.422 2.246 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.469 2.409 0.743 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.096 3.510 2.893 1.00 0.00 C ATOM 0 H LEU B 115 13.356 2.690 3.030 1.00 0.00 H new ATOM 0 HA LEU B 115 14.936 1.377 1.053 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.445 3.552 2.153 1.00 0.00 H new ATOM 0 HB3 LEU B 115 15.689 2.708 3.670 1.00 0.00 H new ATOM 0 HG LEU B 115 17.578 1.458 2.642 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.529 2.275 0.525 1.00 0.00 H new ATOM 0 HD12 LEU B 115 16.902 1.589 0.303 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.128 3.354 0.320 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.145 3.361 2.639 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.770 4.485 2.530 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.975 3.467 3.975 1.00 0.00 H new ATOM 1687 N THR B 116 14.592 -0.013 4.033 1.00 0.00 N ATOM 1688 CA THR B 116 14.757 -1.261 4.775 1.00 0.00 C ATOM 1689 C THR B 116 14.081 -2.411 4.002 1.00 0.00 C ATOM 1690 O THR B 116 14.624 -3.517 3.892 1.00 0.00 O ATOM 1691 CB THR B 116 14.113 -1.151 6.180 1.00 0.00 C ATOM 1692 OG1 THR B 116 14.551 0.057 6.814 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.519 -2.327 7.051 1.00 0.00 C ATOM 0 H THR B 116 14.041 0.694 4.520 1.00 0.00 H new ATOM 0 HA THR B 116 15.823 -1.458 4.888 1.00 0.00 H new ATOM 0 HB THR B 116 13.030 -1.149 6.060 1.00 0.00 H new ATOM 0 HG1 THR B 116 14.229 0.829 6.304 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.056 -2.230 8.033 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.190 -3.256 6.585 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.603 -2.341 7.161 1.00 0.00 H new ATOM 1701 N SER B 117 12.914 -2.124 3.460 1.00 0.00 N ATOM 1702 CA SER B 117 12.173 -3.069 2.655 1.00 0.00 C ATOM 1703 C SER B 117 12.951 -3.413 1.385 1.00 0.00 C ATOM 1704 O SER B 117 13.120 -4.575 1.032 1.00 0.00 O ATOM 1705 CB SER B 117 10.874 -2.429 2.261 1.00 0.00 C ATOM 1706 OG SER B 117 10.203 -1.885 3.382 1.00 0.00 O ATOM 0 H SER B 117 12.452 -1.221 3.568 1.00 0.00 H new ATOM 0 HA SER B 117 12.007 -3.981 3.228 1.00 0.00 H new ATOM 0 HB2 SER B 117 11.062 -1.642 1.531 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.235 -3.168 1.777 1.00 0.00 H new ATOM 0 HG SER B 117 9.617 -2.565 3.774 1.00 0.00 H new ATOM 1712 N ASP B 118 13.445 -2.373 0.750 1.00 0.00 N ATOM 1713 CA ASP B 118 14.192 -2.431 -0.511 1.00 0.00 C ATOM 1714 C ASP B 118 15.473 -3.253 -0.356 1.00 0.00 C ATOM 1715 O ASP B 118 15.947 -3.894 -1.295 1.00 0.00 O ATOM 1716 CB ASP B 118 14.530 -1.001 -0.894 1.00 0.00 C ATOM 1717 CG ASP B 118 15.196 -0.841 -2.217 1.00 0.00 C ATOM 1718 OD1 ASP B 118 14.478 -0.616 -3.217 1.00 0.00 O ATOM 1719 OD2 ASP B 118 16.417 -0.776 -2.260 1.00 0.00 O ATOM 0 H ASP B 118 13.339 -1.422 1.102 1.00 0.00 H new ATOM 0 HA ASP B 118 13.593 -2.914 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.611 -0.415 -0.894 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.177 -0.579 -0.125 1.00 0.00 H new ATOM 1724 N SER B 119 16.009 -3.242 0.846 1.00 0.00 N ATOM 1725 CA SER B 119 17.198 -3.986 1.179 1.00 0.00 C ATOM 1726 C SER B 119 16.907 -5.504 1.128 1.00 0.00 C ATOM 1727 O SER B 119 17.788 -6.312 0.820 1.00 0.00 O ATOM 1728 CB SER B 119 17.669 -3.570 2.584 1.00 0.00 C ATOM 1729 OG SER B 119 18.988 -4.018 2.878 1.00 0.00 O ATOM 0 H SER B 119 15.624 -2.709 1.626 1.00 0.00 H new ATOM 0 HA SER B 119 17.985 -3.769 0.457 1.00 0.00 H new ATOM 0 HB2 SER B 119 17.632 -2.484 2.668 1.00 0.00 H new ATOM 0 HB3 SER B 119 16.980 -3.971 3.327 1.00 0.00 H new ATOM 0 HG SER B 119 19.239 -3.727 3.779 1.00 0.00 H new ATOM 1735 N LEU B 120 15.663 -5.869 1.393 1.00 0.00 N ATOM 1736 CA LEU B 120 15.237 -7.240 1.420 1.00 0.00 C ATOM 1737 C LEU B 120 14.922 -7.724 0.002 1.00 0.00 C ATOM 1738 O LEU B 120 14.986 -8.925 -0.294 1.00 0.00 O ATOM 1739 CB LEU B 120 14.019 -7.345 2.373 1.00 0.00 C ATOM 1740 CG LEU B 120 13.394 -8.721 2.600 1.00 0.00 C ATOM 1741 CD1 LEU B 120 12.724 -8.752 3.955 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.349 -9.047 1.531 1.00 0.00 C ATOM 0 H LEU B 120 14.917 -5.204 1.597 1.00 0.00 H new ATOM 0 HA LEU B 120 16.028 -7.890 1.796 1.00 0.00 H new ATOM 0 HB2 LEU B 120 14.322 -6.953 3.344 1.00 0.00 H new ATOM 0 HB3 LEU B 120 13.240 -6.685 1.991 1.00 0.00 H new ATOM 0 HG LEU B 120 14.191 -9.462 2.546 1.00 0.00 H new ATOM 0 HD11 LEU B 120 12.278 -9.733 4.118 1.00 0.00 H new ATOM 0 HD12 LEU B 120 13.464 -8.556 4.731 1.00 0.00 H new ATOM 0 HD13 LEU B 120 11.947 -7.989 3.994 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.926 -10.033 1.724 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.556 -8.300 1.558 1.00 0.00 H new ATOM 0 HD23 LEU B 120 12.820 -9.041 0.548 1.00 0.00 H new ATOM 1754 N SER B 121 14.607 -6.785 -0.866 1.00 0.00 N ATOM 1755 CA SER B 121 14.272 -7.071 -2.238 1.00 0.00 C ATOM 1756 C SER B 121 15.439 -7.720 -2.985 1.00 0.00 C ATOM 1757 O SER B 121 15.225 -8.606 -3.815 1.00 0.00 O ATOM 1758 CB SER B 121 13.854 -5.782 -2.922 1.00 0.00 C ATOM 1759 OG SER B 121 12.820 -5.158 -2.183 1.00 0.00 O ATOM 0 H SER B 121 14.577 -5.793 -0.632 1.00 0.00 H new ATOM 0 HA SER B 121 13.448 -7.785 -2.253 1.00 0.00 H new ATOM 0 HB2 SER B 121 14.709 -5.111 -3.006 1.00 0.00 H new ATOM 0 HB3 SER B 121 13.513 -5.992 -3.936 1.00 0.00 H new ATOM 0 HG SER B 121 11.953 -5.375 -2.586 1.00 0.00 H new ATOM 1765 N HIS B 122 16.674 -7.285 -2.663 1.00 0.00 N ATOM 1766 CA HIS B 122 17.917 -7.771 -3.303 1.00 0.00 C ATOM 1767 C HIS B 122 18.002 -7.313 -4.766 1.00 0.00 C ATOM 1768 O HIS B 122 18.904 -6.567 -5.145 1.00 0.00 O ATOM 1769 CB HIS B 122 18.068 -9.319 -3.191 1.00 0.00 C ATOM 1770 CG HIS B 122 19.259 -9.886 -3.924 1.00 0.00 C ATOM 1771 ND1 HIS B 122 19.225 -10.295 -5.246 1.00 0.00 N ATOM 1772 CD2 HIS B 122 20.526 -10.106 -3.502 1.00 0.00 C ATOM 1773 CE1 HIS B 122 20.431 -10.737 -5.574 1.00 0.00 C ATOM 1774 NE2 HIS B 122 21.268 -10.645 -4.551 1.00 0.00 N ATOM 0 H HIS B 122 16.840 -6.580 -1.945 1.00 0.00 H new ATOM 0 HA HIS B 122 18.751 -7.327 -2.759 1.00 0.00 H new ATOM 0 HB2 HIS B 122 18.143 -9.589 -2.138 1.00 0.00 H new ATOM 0 HB3 HIS B 122 17.163 -9.789 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS B 122 20.902 -9.897 -2.511 1.00 0.00 H new ATOM 0 HE1 HIS B 122 20.697 -11.122 -6.548 1.00 0.00 H new ATOM 0 HE2 HIS B 122 22.252 -10.913 -4.535 1.00 0.00 H new ATOM 1782 N SER B 123 17.077 -7.763 -5.552 1.00 0.00 N ATOM 1783 CA SER B 123 16.990 -7.440 -6.935 1.00 0.00 C ATOM 1784 C SER B 123 15.970 -6.310 -7.085 1.00 0.00 C ATOM 1785 O SER B 123 15.303 -5.947 -6.103 1.00 0.00 O ATOM 1786 CB SER B 123 16.523 -8.689 -7.689 1.00 0.00 C ATOM 1787 OG SER B 123 17.323 -9.833 -7.340 1.00 0.00 O ATOM 0 H SER B 123 16.336 -8.388 -5.234 1.00 0.00 H new ATOM 0 HA SER B 123 17.951 -7.120 -7.338 1.00 0.00 H new ATOM 0 HB2 SER B 123 15.477 -8.888 -7.457 1.00 0.00 H new ATOM 0 HB3 SER B 123 16.583 -8.513 -8.763 1.00 0.00 H new ATOM 0 HG SER B 123 17.936 -9.594 -6.614 1.00 0.00 H new ATOM 1793 N ASP B 124 15.855 -5.750 -8.272 1.00 0.00 N ATOM 1794 CA ASP B 124 14.877 -4.695 -8.525 1.00 0.00 C ATOM 1795 C ASP B 124 13.485 -5.285 -8.478 1.00 0.00 C ATOM 1796 O ASP B 124 13.042 -5.950 -9.422 1.00 0.00 O ATOM 1797 CB ASP B 124 15.101 -3.999 -9.887 1.00 0.00 C ATOM 1798 CG ASP B 124 16.396 -3.221 -9.975 1.00 0.00 C ATOM 1799 OD1 ASP B 124 17.448 -3.824 -10.319 1.00 0.00 O ATOM 1800 OD2 ASP B 124 16.397 -2.003 -9.716 1.00 0.00 O ATOM 0 H ASP B 124 16.423 -6.003 -9.080 1.00 0.00 H new ATOM 0 HA ASP B 124 14.998 -3.937 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP B 124 15.087 -4.752 -10.675 1.00 0.00 H new ATOM 0 HB3 ASP B 124 14.269 -3.322 -10.079 1.00 0.00 H new ATOM 1805 N GLY B 125 12.827 -5.115 -7.363 1.00 0.00 N ATOM 1806 CA GLY B 125 11.500 -5.646 -7.205 1.00 0.00 C ATOM 1807 C GLY B 125 10.440 -4.667 -7.638 1.00 0.00 C ATOM 1808 O GLY B 125 10.749 -3.518 -7.971 1.00 0.00 O ATOM 0 H GLY B 125 13.188 -4.613 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY B 125 11.405 -6.562 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY B 125 11.340 -5.914 -6.161 1.00 0.00 H new ATOM 1812 N GLY B 126 9.205 -5.094 -7.623 1.00 0.00 N ATOM 1813 CA GLY B 126 8.123 -4.236 -8.017 1.00 0.00 C ATOM 1814 C GLY B 126 6.832 -4.993 -8.086 1.00 0.00 C ATOM 1815 O GLY B 126 6.722 -6.067 -7.503 1.00 0.00 O ATOM 0 H GLY B 126 8.925 -6.033 -7.341 1.00 0.00 H new ATOM 0 HA2 GLY B 126 8.029 -3.415 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY B 126 8.341 -3.793 -8.989 1.00 0.00 H new ATOM 1819 N GLY B 127 5.872 -4.447 -8.782 1.00 0.00 N ATOM 1820 CA GLY B 127 4.598 -5.088 -8.935 1.00 0.00 C ATOM 1821 C GLY B 127 3.776 -4.370 -9.962 1.00 0.00 C ATOM 1822 O GLY B 127 4.032 -3.195 -10.259 1.00 0.00 O ATOM 0 H GLY B 127 5.952 -3.548 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY B 127 4.739 -6.127 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY B 127 4.072 -5.099 -7.981 1.00 0.00 H new ATOM 1826 N SER B 128 2.838 -5.043 -10.538 1.00 0.00 N ATOM 1827 CA SER B 128 1.970 -4.462 -11.525 1.00 0.00 C ATOM 1828 C SER B 128 0.542 -4.956 -11.294 1.00 0.00 C ATOM 1829 O SER B 128 0.310 -5.801 -10.414 1.00 0.00 O ATOM 1830 CB SER B 128 2.485 -4.820 -12.925 1.00 0.00 C ATOM 1831 OG SER B 128 3.821 -4.333 -13.094 1.00 0.00 O ATOM 0 H SER B 128 2.644 -6.025 -10.339 1.00 0.00 H new ATOM 0 HA SER B 128 1.964 -3.375 -11.441 1.00 0.00 H new ATOM 0 HB2 SER B 128 2.463 -5.901 -13.064 1.00 0.00 H new ATOM 0 HB3 SER B 128 1.833 -4.387 -13.683 1.00 0.00 H new ATOM 0 HG SER B 128 4.144 -4.567 -13.989 1.00 0.00 H new ATOM 1837 N GLY B 129 -0.408 -4.424 -12.033 1.00 0.00 N ATOM 1838 CA GLY B 129 -1.766 -4.835 -11.861 1.00 0.00 C ATOM 1839 C GLY B 129 -2.696 -4.100 -12.781 1.00 0.00 C ATOM 1840 O GLY B 129 -2.267 -3.228 -13.540 1.00 0.00 O ATOM 0 H GLY B 129 -0.258 -3.714 -12.749 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -1.847 -5.906 -12.044 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -2.068 -4.665 -10.828 1.00 0.00 H new ATOM 1844 N GLY B 130 -3.954 -4.419 -12.693 1.00 0.00 N ATOM 1845 CA GLY B 130 -4.940 -3.820 -13.539 1.00 0.00 C ATOM 1846 C GLY B 130 -5.357 -4.778 -14.615 1.00 0.00 C ATOM 1847 O GLY B 130 -4.511 -5.490 -15.182 1.00 0.00 O ATOM 0 H GLY B 130 -4.324 -5.102 -12.032 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -5.807 -3.528 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -4.540 -2.911 -13.988 1.00 0.00 H new ATOM 1851 N GLY B 131 -6.623 -4.863 -14.853 1.00 0.00 N ATOM 1852 CA GLY B 131 -7.115 -5.690 -15.899 1.00 0.00 C ATOM 1853 C GLY B 131 -7.621 -4.827 -17.006 1.00 0.00 C ATOM 1854 O GLY B 131 -7.000 -3.809 -17.332 1.00 0.00 O ATOM 0 H GLY B 131 -7.342 -4.363 -14.330 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -6.324 -6.345 -16.264 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -7.914 -6.332 -15.527 1.00 0.00 H new ATOM 1858 N SER B 132 -8.707 -5.209 -17.590 1.00 0.00 N ATOM 1859 CA SER B 132 -9.339 -4.397 -18.566 1.00 0.00 C ATOM 1860 C SER B 132 -10.844 -4.470 -18.367 1.00 0.00 C ATOM 1861 O SER B 132 -11.553 -5.235 -19.038 1.00 0.00 O ATOM 1862 CB SER B 132 -8.919 -4.793 -19.994 1.00 0.00 C ATOM 1863 OG SER B 132 -9.422 -3.883 -20.971 1.00 0.00 O ATOM 0 H SER B 132 -9.179 -6.093 -17.402 1.00 0.00 H new ATOM 0 HA SER B 132 -9.019 -3.363 -18.439 1.00 0.00 H new ATOM 0 HB2 SER B 132 -7.831 -4.826 -20.056 1.00 0.00 H new ATOM 0 HB3 SER B 132 -9.282 -5.797 -20.213 1.00 0.00 H new ATOM 0 HG SER B 132 -9.133 -4.168 -21.863 1.00 0.00 H new ATOM 1869 N GLY B 133 -11.300 -3.781 -17.365 1.00 0.00 N ATOM 1870 CA GLY B 133 -12.699 -3.687 -17.088 1.00 0.00 C ATOM 1871 C GLY B 133 -12.938 -2.574 -16.132 1.00 0.00 C ATOM 1872 O GLY B 133 -13.573 -2.765 -15.103 1.00 0.00 O ATOM 0 H GLY B 133 -10.708 -3.266 -16.714 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -13.253 -3.514 -18.011 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -13.062 -4.625 -16.669 1.00 0.00 H new ATOM 1876 N GLY B 134 -12.401 -1.411 -16.483 1.00 0.00 N ATOM 1877 CA GLY B 134 -12.452 -0.223 -15.653 1.00 0.00 C ATOM 1878 C GLY B 134 -13.854 0.260 -15.362 1.00 0.00 C ATOM 1879 O GLY B 134 -14.404 1.109 -16.081 1.00 0.00 O ATOM 0 H GLY B 134 -11.911 -1.270 -17.367 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -11.946 -0.429 -14.710 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -11.897 0.576 -16.145 1.00 0.00 H new ATOM 1883 N GLY B 135 -14.408 -0.265 -14.324 1.00 0.00 N ATOM 1884 CA GLY B 135 -15.716 0.052 -13.883 1.00 0.00 C ATOM 1885 C GLY B 135 -16.003 -0.751 -12.663 1.00 0.00 C ATOM 1886 O GLY B 135 -15.744 -1.958 -12.657 1.00 0.00 O ATOM 0 H GLY B 135 -13.940 -0.955 -13.737 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -15.796 1.117 -13.665 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -16.444 -0.169 -14.663 1.00 0.00 H new ATOM 1890 N SER B 136 -16.496 -0.087 -11.625 1.00 0.00 N ATOM 1891 CA SER B 136 -16.773 -0.700 -10.333 1.00 0.00 C ATOM 1892 C SER B 136 -15.459 -1.042 -9.606 1.00 0.00 C ATOM 1893 O SER B 136 -14.732 -1.960 -9.993 1.00 0.00 O ATOM 1894 CB SER B 136 -17.705 -1.916 -10.478 1.00 0.00 C ATOM 1895 OG SER B 136 -18.916 -1.535 -11.136 1.00 0.00 O ATOM 0 H SER B 136 -16.718 0.908 -11.658 1.00 0.00 H new ATOM 0 HA SER B 136 -17.306 0.020 -9.713 1.00 0.00 H new ATOM 0 HB2 SER B 136 -17.205 -2.701 -11.046 1.00 0.00 H new ATOM 0 HB3 SER B 136 -17.931 -2.329 -9.495 1.00 0.00 H new ATOM 0 HG SER B 136 -19.500 -2.317 -11.224 1.00 0.00 H new ATOM 1901 N LEU B 137 -15.190 -0.278 -8.558 1.00 0.00 N ATOM 1902 CA LEU B 137 -13.955 -0.302 -7.759 1.00 0.00 C ATOM 1903 C LEU B 137 -13.392 -1.709 -7.473 1.00 0.00 C ATOM 1904 O LEU B 137 -12.218 -1.970 -7.708 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.105 0.534 -6.442 1.00 0.00 C ATOM 1906 CG LEU B 137 -15.090 0.045 -5.331 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -14.991 0.950 -4.117 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -16.539 0.015 -5.808 1.00 0.00 C ATOM 0 H LEU B 137 -15.857 0.415 -8.217 1.00 0.00 H new ATOM 0 HA LEU B 137 -13.207 0.174 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.116 0.613 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -14.407 1.542 -6.727 1.00 0.00 H new ATOM 0 HG LEU B 137 -14.799 -0.974 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -15.680 0.603 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -13.973 0.928 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -15.249 1.970 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -17.181 -0.332 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -16.844 1.017 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.628 -0.662 -6.657 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.220 -2.602 -7.011 1.00 0.00 N ATOM 1921 CA GLU B 138 -13.762 -3.933 -6.669 1.00 0.00 C ATOM 1922 C GLU B 138 -13.663 -4.896 -7.864 1.00 0.00 C ATOM 1923 O GLU B 138 -13.040 -5.954 -7.758 1.00 0.00 O ATOM 1924 CB GLU B 138 -14.513 -4.508 -5.454 1.00 0.00 C ATOM 1925 CG GLU B 138 -16.017 -4.298 -5.469 1.00 0.00 C ATOM 1926 CD GLU B 138 -16.680 -4.750 -4.182 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -16.610 -4.016 -3.161 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -17.332 -5.809 -4.181 1.00 0.00 O ATOM 0 H GLU B 138 -15.216 -2.440 -6.860 1.00 0.00 H new ATOM 0 HA GLU B 138 -12.724 -3.820 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -14.312 -5.578 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -14.108 -4.056 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -16.231 -3.242 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -16.448 -4.845 -6.308 1.00 0.00 H new ATOM 1935 N CYS B 139 -14.231 -4.531 -9.001 1.00 0.00 N ATOM 1936 CA CYS B 139 -14.157 -5.397 -10.165 1.00 0.00 C ATOM 1937 C CYS B 139 -12.824 -5.153 -10.889 1.00 0.00 C ATOM 1938 O CYS B 139 -11.957 -6.029 -10.924 1.00 0.00 O ATOM 1939 CB CYS B 139 -15.345 -5.122 -11.103 1.00 0.00 C ATOM 1940 SG CYS B 139 -15.426 -6.187 -12.559 1.00 0.00 S ATOM 0 H CYS B 139 -14.739 -3.658 -9.142 1.00 0.00 H new ATOM 0 HA CYS B 139 -14.207 -6.440 -9.853 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -16.270 -5.234 -10.537 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -15.297 -4.084 -11.432 1.00 0.00 H new ATOM 0 HG CYS B 139 -16.464 -5.868 -13.273 1.00 0.00 H new ATOM 1946 N ASP B 140 -12.633 -3.933 -11.353 1.00 0.00 N ATOM 1947 CA ASP B 140 -11.399 -3.494 -12.011 1.00 0.00 C ATOM 1948 C ASP B 140 -11.476 -2.023 -12.250 1.00 0.00 C ATOM 1949 O ASP B 140 -12.490 -1.506 -12.689 1.00 0.00 O ATOM 1950 CB ASP B 140 -11.079 -4.229 -13.329 1.00 0.00 C ATOM 1951 CG ASP B 140 -9.801 -3.694 -13.978 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -8.698 -3.825 -13.362 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -9.879 -3.107 -15.071 1.00 0.00 O ATOM 0 H ASP B 140 -13.339 -3.200 -11.286 1.00 0.00 H new ATOM 0 HA ASP B 140 -10.580 -3.744 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -10.969 -5.296 -13.134 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -11.914 -4.116 -14.021 1.00 0.00 H new ATOM 1958 N MET B 141 -10.454 -1.352 -11.872 1.00 0.00 N ATOM 1959 CA MET B 141 -10.386 0.078 -11.970 1.00 0.00 C ATOM 1960 C MET B 141 -9.533 0.594 -13.122 1.00 0.00 C ATOM 1961 O MET B 141 -9.458 1.796 -13.310 1.00 0.00 O ATOM 1962 CB MET B 141 -10.055 0.701 -10.633 1.00 0.00 C ATOM 1963 CG MET B 141 -11.221 0.644 -9.671 1.00 0.00 C ATOM 1964 SD MET B 141 -10.844 1.268 -8.030 1.00 0.00 S ATOM 1965 CE MET B 141 -9.610 0.086 -7.481 1.00 0.00 C ATOM 0 H MET B 141 -9.617 -1.779 -11.476 1.00 0.00 H new ATOM 0 HA MET B 141 -11.387 0.414 -12.239 1.00 0.00 H new ATOM 0 HB2 MET B 141 -9.200 0.185 -10.196 1.00 0.00 H new ATOM 0 HB3 MET B 141 -9.759 1.740 -10.781 1.00 0.00 H new ATOM 0 HG2 MET B 141 -12.049 1.218 -10.086 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.560 -0.389 -9.587 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.787 -0.165 -6.435 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.676 -0.817 -8.087 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.616 0.522 -7.587 1.00 0.00 H new ATOM 1975 N GLU B 142 -8.813 -0.333 -13.791 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.900 -0.116 -14.953 1.00 0.00 C ATOM 1977 C GLU B 142 -7.233 1.263 -14.986 1.00 0.00 C ATOM 1978 O GLU B 142 -6.152 1.461 -14.432 1.00 0.00 O ATOM 1979 CB GLU B 142 -8.617 -0.465 -16.303 1.00 0.00 C ATOM 1980 CG GLU B 142 -7.718 -0.615 -17.566 1.00 0.00 C ATOM 1981 CD GLU B 142 -7.163 0.680 -18.135 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -7.833 1.315 -18.972 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -6.050 1.091 -17.771 1.00 0.00 O ATOM 0 H GLU B 142 -8.851 -1.317 -13.524 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.072 -0.812 -14.816 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -9.164 -1.398 -16.164 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -9.356 0.311 -16.504 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -6.882 -1.270 -17.319 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.296 -1.114 -18.344 1.00 0.00 H new ATOM 1990 N SER B 143 -7.930 2.204 -15.570 1.00 0.00 N ATOM 1991 CA SER B 143 -7.420 3.534 -15.844 1.00 0.00 C ATOM 1992 C SER B 143 -7.264 4.304 -14.551 1.00 0.00 C ATOM 1993 O SER B 143 -6.203 4.887 -14.267 1.00 0.00 O ATOM 1994 CB SER B 143 -8.426 4.236 -16.734 1.00 0.00 C ATOM 1995 OG SER B 143 -9.065 3.290 -17.586 1.00 0.00 O ATOM 0 H SER B 143 -8.893 2.068 -15.878 1.00 0.00 H new ATOM 0 HA SER B 143 -6.447 3.475 -16.331 1.00 0.00 H new ATOM 0 HB2 SER B 143 -9.169 4.748 -16.123 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.926 4.997 -17.332 1.00 0.00 H new ATOM 0 HG SER B 143 -8.386 2.781 -18.076 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.302 4.229 -13.753 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.402 4.913 -12.496 1.00 0.00 C ATOM 2003 C ILE B 144 -7.346 4.378 -11.554 1.00 0.00 C ATOM 2004 O ILE B 144 -6.591 5.136 -10.967 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.808 4.687 -11.861 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.941 5.104 -12.827 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.941 5.409 -10.524 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -10.904 6.556 -13.264 1.00 0.00 C ATOM 0 H ILE B 144 -9.126 3.670 -13.973 1.00 0.00 H new ATOM 0 HA ILE B 144 -8.255 5.980 -12.664 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.906 3.618 -11.674 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.894 4.471 -13.713 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.899 4.909 -12.346 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.933 5.229 -10.111 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.186 5.035 -9.832 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.798 6.479 -10.673 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -11.736 6.754 -13.939 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -10.985 7.201 -12.389 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.964 6.757 -13.778 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.251 3.057 -11.466 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.297 2.463 -10.524 1.00 0.00 C ATOM 2022 C ILE B 145 -4.848 2.684 -10.973 1.00 0.00 C ATOM 2023 O ILE B 145 -3.951 2.824 -10.156 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.577 0.960 -10.227 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.725 0.475 -9.052 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.349 0.083 -11.456 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.009 -0.943 -8.636 1.00 0.00 C ATOM 0 H ILE B 145 -7.799 2.392 -12.012 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.442 2.990 -9.581 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.629 0.872 -9.956 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.672 0.560 -9.320 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -5.891 1.133 -8.199 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.556 -0.957 -11.204 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.014 0.401 -12.259 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.314 0.178 -11.784 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.366 -1.212 -7.798 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.053 -1.032 -8.335 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -5.815 -1.614 -9.473 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.637 2.734 -12.271 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.316 2.967 -12.811 1.00 0.00 C ATOM 2041 C ARG B 146 -2.845 4.368 -12.416 1.00 0.00 C ATOM 2042 O ARG B 146 -1.892 4.528 -11.672 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.348 2.848 -14.337 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.983 2.791 -14.997 1.00 0.00 C ATOM 2045 CD ARG B 146 -2.098 2.783 -16.518 1.00 0.00 C ATOM 2046 NE ARG B 146 -3.067 1.779 -17.007 1.00 0.00 N ATOM 2047 CZ ARG B 146 -2.769 0.629 -17.634 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -1.510 0.226 -17.778 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -3.748 -0.106 -18.107 1.00 0.00 N ATOM 0 H ARG B 146 -5.367 2.616 -12.974 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.628 2.223 -12.410 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.905 1.950 -14.606 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.898 3.697 -14.743 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.388 3.648 -14.680 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -1.455 1.897 -14.666 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -2.400 3.772 -16.862 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.119 2.580 -16.952 1.00 0.00 H new ATOM 0 HE ARG B 146 -4.055 1.979 -16.854 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.747 0.794 -17.409 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -1.307 -0.651 -18.258 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -4.715 0.199 -17.995 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -3.542 -0.983 -18.586 1.00 0.00 H new ATOM 2063 N SER B 147 -3.591 5.358 -12.848 1.00 0.00 N ATOM 2064 CA SER B 147 -3.230 6.748 -12.663 1.00 0.00 C ATOM 2065 C SER B 147 -3.250 7.188 -11.189 1.00 0.00 C ATOM 2066 O SER B 147 -2.334 7.876 -10.721 1.00 0.00 O ATOM 2067 CB SER B 147 -4.153 7.624 -13.518 1.00 0.00 C ATOM 2068 OG SER B 147 -5.523 7.282 -13.306 1.00 0.00 O ATOM 0 H SER B 147 -4.473 5.222 -13.342 1.00 0.00 H new ATOM 0 HA SER B 147 -2.197 6.871 -12.989 1.00 0.00 H new ATOM 0 HB2 SER B 147 -3.994 8.674 -13.272 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.903 7.502 -14.572 1.00 0.00 H new ATOM 0 HG SER B 147 -5.794 6.600 -13.955 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.274 6.792 -10.473 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.444 7.218 -9.111 1.00 0.00 C ATOM 2076 C GLU B 148 -3.585 6.409 -8.144 1.00 0.00 C ATOM 2077 O GLU B 148 -3.000 6.970 -7.224 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.928 7.164 -8.732 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.286 7.781 -7.392 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.779 7.834 -7.180 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.460 8.667 -7.845 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -8.311 7.082 -6.359 1.00 0.00 O ATOM 0 H GLU B 148 -5.006 6.170 -10.817 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.101 8.249 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.502 7.669 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.246 6.121 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.826 7.203 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.875 8.789 -7.334 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.463 5.119 -8.371 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.782 4.284 -7.412 1.00 0.00 C ATOM 2091 C LEU B 149 -1.286 4.119 -7.655 1.00 0.00 C ATOM 2092 O LEU B 149 -0.518 4.188 -6.699 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.554 2.964 -7.146 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.943 1.953 -6.164 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.044 1.176 -5.468 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -2.044 0.972 -6.902 1.00 0.00 C ATOM 0 H LEU B 149 -3.819 4.635 -9.195 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.799 4.832 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.547 3.226 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.690 2.459 -8.102 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.355 2.504 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.602 0.461 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.685 1.866 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.637 0.641 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.619 0.263 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.628 0.433 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.239 1.517 -7.396 1.00 0.00 H new ATOM 2108 N MET B 150 -0.831 3.919 -8.894 1.00 0.00 N ATOM 2109 CA MET B 150 0.612 3.769 -9.075 1.00 0.00 C ATOM 2110 C MET B 150 1.088 4.024 -10.490 1.00 0.00 C ATOM 2111 O MET B 150 0.651 3.399 -11.453 1.00 0.00 O ATOM 2112 CB MET B 150 1.159 2.437 -8.484 1.00 0.00 C ATOM 2113 CG MET B 150 0.744 1.144 -9.174 1.00 0.00 C ATOM 2114 SD MET B 150 1.800 0.717 -10.566 1.00 0.00 S ATOM 2115 CE MET B 150 0.994 -0.758 -11.139 1.00 0.00 C ATOM 0 H MET B 150 -1.400 3.860 -9.738 1.00 0.00 H new ATOM 0 HA MET B 150 1.053 4.572 -8.484 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.248 2.488 -8.489 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.848 2.378 -7.441 1.00 0.00 H new ATOM 0 HG2 MET B 150 0.762 0.330 -8.449 1.00 0.00 H new ATOM 0 HG3 MET B 150 -0.285 1.239 -9.522 1.00 0.00 H new ATOM 0 HE1 MET B 150 1.528 -1.152 -12.004 1.00 0.00 H new ATOM 0 HE2 MET B 150 0.992 -1.504 -10.344 1.00 0.00 H new ATOM 0 HE3 MET B 150 -0.033 -0.525 -11.421 1.00 0.00 H new ATOM 2125 N ASP B 151 1.989 4.947 -10.592 1.00 0.00 N ATOM 2126 CA ASP B 151 2.598 5.319 -11.843 1.00 0.00 C ATOM 2127 C ASP B 151 4.078 5.093 -11.761 1.00 0.00 C ATOM 2128 O ASP B 151 4.755 5.686 -10.911 1.00 0.00 O ATOM 2129 CB ASP B 151 2.327 6.784 -12.186 1.00 0.00 C ATOM 2130 CG ASP B 151 3.165 7.262 -13.358 1.00 0.00 C ATOM 2131 OD1 ASP B 151 2.813 6.965 -14.524 1.00 0.00 O ATOM 2132 OD2 ASP B 151 4.209 7.933 -13.121 1.00 0.00 O ATOM 0 H ASP B 151 2.335 5.480 -9.794 1.00 0.00 H new ATOM 0 HA ASP B 151 2.163 4.701 -12.629 1.00 0.00 H new ATOM 0 HB2 ASP B 151 1.270 6.911 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP B 151 2.536 7.404 -11.315 1.00 0.00 H new ATOM 2137 N ALA B 152 4.564 4.238 -12.593 1.00 0.00 N ATOM 2138 CA ALA B 152 5.955 3.948 -12.662 1.00 0.00 C ATOM 2139 C ALA B 152 6.354 3.904 -14.119 1.00 0.00 C ATOM 2140 O ALA B 152 6.665 4.965 -14.685 1.00 0.00 O ATOM 2141 CB ALA B 152 6.248 2.627 -11.971 1.00 0.00 C ATOM 2142 OXT ALA B 152 6.297 2.830 -14.734 1.00 0.00 O ATOM 0 H ALA B 152 3.996 3.711 -13.257 1.00 0.00 H new ATOM 0 HA ALA B 152 6.533 4.718 -12.151 1.00 0.00 H new ATOM 0 HB1 ALA B 152 7.315 2.415 -12.030 1.00 0.00 H new ATOM 0 HB2 ALA B 152 5.947 2.689 -10.925 1.00 0.00 H new ATOM 0 HB3 ALA B 152 5.692 1.828 -12.462 1.00 0.00 H new TER 2148 ALA B 152