USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 763 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 HIS : no HD1:sc= 0.418 K(o=1.2,f=-2.7) USER MOD Set 1.2: A 65 TYR OH : rot 84:sc= 0.739 USER MOD Set 2.1: A 45 ASN : amide:sc= -2.67! C(o=-2.7!,f=-5.9!) USER MOD Set 2.2: A 47 ASN : amide:sc= 0 K(o=-2.7,f=-3.3) USER MOD Set 3.1: A 27 MET CE :methyl 163:sc= -0.137 (180deg=-0.631) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.503 K(o=-0.64,f=-1.2) USER MOD Set 4.1: A 18 LYS NZ :NH3+ -136:sc= 1.13 (180deg=0.581) USER MOD Set 4.2: A 19 ASN : amide:sc= 0.366 K(o=1.5,f=-0.017) USER MOD Set 5.1: A 2 SER OG : rot 180:sc= -0.0277 USER MOD Set 5.2: A 4 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 72:sc= -2.41! USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 24 SER OG : rot 28:sc= 0.0985 USER MOD Single : A 25 MET CE :methyl 167:sc= -0.322 (180deg=-0.977) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0882 (180deg=-0.427) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 1.18 (180deg=0.63) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -146:sc= 1.23 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -126:sc= -0.453 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00405) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0.0208 (180deg=-0.156) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -52:sc= 1.28 USER MOD Single : A 91 HIS : no HD1:sc= -1.65! X(o=-1.7!,f=-1.3) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -0.112 F(o=-0.66,f=-0.11) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.357 F(o=-0.95,f=-0.36) USER MOD Single : A 94 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.560 -9.929 -21.160 1.00 0.00 N ATOM 2 CA SER A 1 -16.903 -8.573 -20.691 1.00 0.00 C ATOM 3 C SER A 1 -17.443 -8.638 -19.262 1.00 0.00 C ATOM 4 O SER A 1 -18.544 -9.138 -19.018 1.00 0.00 O ATOM 5 CB SER A 1 -17.939 -7.952 -21.633 1.00 0.00 C ATOM 6 OG SER A 1 -18.105 -6.565 -21.387 1.00 0.00 O ATOM 0 H1 SER A 1 -16.194 -9.878 -22.132 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.834 -10.338 -20.538 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.410 -10.528 -21.142 1.00 0.00 H new ATOM 0 HA SER A 1 -16.009 -7.949 -20.693 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.629 -8.104 -22.667 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.895 -8.461 -21.509 1.00 0.00 H new ATOM 0 HG SER A 1 -18.771 -6.200 -22.006 1.00 0.00 H new ATOM 14 N SER A 2 -16.642 -8.164 -18.320 1.00 0.00 N ATOM 15 CA SER A 2 -17.014 -8.181 -16.916 1.00 0.00 C ATOM 16 C SER A 2 -17.694 -6.868 -16.530 1.00 0.00 C ATOM 17 O SER A 2 -17.745 -5.928 -17.322 1.00 0.00 O ATOM 18 CB SER A 2 -15.766 -8.413 -16.055 1.00 0.00 C ATOM 19 OG SER A 2 -16.108 -8.690 -14.706 1.00 0.00 O ATOM 0 H SER A 2 -15.724 -7.760 -18.506 1.00 0.00 H new ATOM 0 HA SER A 2 -17.720 -8.994 -16.744 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.191 -9.244 -16.463 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.126 -7.532 -16.095 1.00 0.00 H new ATOM 0 HG SER A 2 -15.291 -8.834 -14.184 1.00 0.00 H new ATOM 25 N GLN A 3 -18.201 -6.808 -15.305 1.00 0.00 N ATOM 26 CA GLN A 3 -18.900 -5.626 -14.821 1.00 0.00 C ATOM 27 C GLN A 3 -17.906 -4.619 -14.254 1.00 0.00 C ATOM 28 O GLN A 3 -18.277 -3.527 -13.829 1.00 0.00 O ATOM 29 CB GLN A 3 -19.927 -6.020 -13.759 1.00 0.00 C ATOM 30 CG GLN A 3 -20.892 -7.091 -14.236 1.00 0.00 C ATOM 31 CD GLN A 3 -21.955 -7.435 -13.213 1.00 0.00 C ATOM 32 OE1 GLN A 3 -21.737 -7.326 -12.004 1.00 0.00 O ATOM 33 NE2 GLN A 3 -23.110 -7.862 -13.694 1.00 0.00 N ATOM 0 H GLN A 3 -18.140 -7.568 -14.627 1.00 0.00 H new ATOM 0 HA GLN A 3 -19.424 -5.161 -15.656 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -19.405 -6.378 -12.872 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -20.492 -5.136 -13.462 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -21.375 -6.753 -15.153 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -20.331 -7.992 -14.484 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -23.246 -7.937 -14.702 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -23.865 -8.117 -13.057 1.00 0.00 H new ATOM 42 N THR A 4 -16.636 -4.992 -14.273 1.00 0.00 N ATOM 43 CA THR A 4 -15.568 -4.129 -13.801 1.00 0.00 C ATOM 44 C THR A 4 -15.134 -3.149 -14.890 1.00 0.00 C ATOM 45 O THR A 4 -14.067 -2.538 -14.810 1.00 0.00 O ATOM 46 CB THR A 4 -14.362 -4.968 -13.344 1.00 0.00 C ATOM 47 OG1 THR A 4 -14.107 -6.012 -14.294 1.00 0.00 O ATOM 48 CG2 THR A 4 -14.614 -5.578 -11.973 1.00 0.00 C ATOM 0 H THR A 4 -16.319 -5.899 -14.615 1.00 0.00 H new ATOM 0 HA THR A 4 -15.948 -3.559 -12.953 1.00 0.00 H new ATOM 0 HB THR A 4 -13.494 -4.312 -13.278 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.337 -6.542 -13.999 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.747 -6.166 -11.672 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.783 -4.783 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.492 -6.222 -12.017 1.00 0.00 H new ATOM 56 N LEU A 5 -15.977 -2.997 -15.903 1.00 0.00 N ATOM 57 CA LEU A 5 -15.690 -2.112 -17.022 1.00 0.00 C ATOM 58 C LEU A 5 -16.650 -0.921 -17.013 1.00 0.00 C ATOM 59 O LEU A 5 -16.783 -0.201 -18.002 1.00 0.00 O ATOM 60 CB LEU A 5 -15.809 -2.894 -18.339 1.00 0.00 C ATOM 61 CG LEU A 5 -15.378 -2.144 -19.604 1.00 0.00 C ATOM 62 CD1 LEU A 5 -13.911 -1.749 -19.521 1.00 0.00 C ATOM 63 CD2 LEU A 5 -15.633 -2.996 -20.837 1.00 0.00 C ATOM 0 H LEU A 5 -16.873 -3.480 -15.972 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.673 -1.730 -16.929 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.210 -3.801 -18.256 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.846 -3.207 -18.461 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.972 -1.233 -19.683 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.625 -1.218 -20.429 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.757 -1.101 -18.658 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.298 -2.645 -19.417 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.322 -2.450 -21.727 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.064 -3.923 -20.763 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.696 -3.227 -20.906 1.00 0.00 H new ATOM 75 N ASP A 6 -17.312 -0.706 -15.885 1.00 0.00 N ATOM 76 CA ASP A 6 -18.290 0.370 -15.786 1.00 0.00 C ATOM 77 C ASP A 6 -17.845 1.452 -14.808 1.00 0.00 C ATOM 78 O ASP A 6 -17.982 1.297 -13.599 1.00 0.00 O ATOM 79 CB ASP A 6 -19.659 -0.174 -15.372 1.00 0.00 C ATOM 80 CG ASP A 6 -20.685 0.931 -15.199 1.00 0.00 C ATOM 81 OD1 ASP A 6 -20.989 1.626 -16.189 1.00 0.00 O ATOM 82 OD2 ASP A 6 -21.187 1.116 -14.069 1.00 0.00 O ATOM 0 H ASP A 6 -17.193 -1.255 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.370 0.820 -16.775 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -20.011 -0.880 -16.125 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -19.561 -0.727 -14.438 1.00 0.00 H new ATOM 87 N ARG A 7 -17.294 2.532 -15.360 1.00 0.00 N ATOM 88 CA ARG A 7 -16.966 3.751 -14.608 1.00 0.00 C ATOM 89 C ARG A 7 -15.901 3.542 -13.529 1.00 0.00 C ATOM 90 O ARG A 7 -14.736 3.881 -13.744 1.00 0.00 O ATOM 91 CB ARG A 7 -18.231 4.363 -14.004 1.00 0.00 C ATOM 92 CG ARG A 7 -19.123 5.022 -15.041 1.00 0.00 C ATOM 93 CD ARG A 7 -20.487 5.365 -14.473 1.00 0.00 C ATOM 94 NE ARG A 7 -21.247 4.165 -14.132 1.00 0.00 N ATOM 95 CZ ARG A 7 -22.515 4.173 -13.735 1.00 0.00 C ATOM 96 NH1 ARG A 7 -23.175 5.321 -13.631 1.00 0.00 N ATOM 97 NH2 ARG A 7 -23.120 3.028 -13.454 1.00 0.00 N ATOM 0 H ARG A 7 -17.059 2.590 -16.351 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.532 4.444 -15.328 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.795 3.585 -13.489 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -17.948 5.101 -13.254 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.644 5.929 -15.409 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -19.242 4.355 -15.895 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.366 5.984 -13.584 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -21.046 5.956 -15.199 1.00 0.00 H new ATOM 0 HE ARG A 7 -20.774 3.264 -14.203 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -22.709 6.200 -13.856 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -24.148 5.324 -13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -22.612 2.148 -13.543 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -24.093 3.027 -13.149 1.00 0.00 H new ATOM 111 N ASP A 8 -16.297 2.986 -12.383 1.00 0.00 N ATOM 112 CA ASP A 8 -15.411 2.900 -11.221 1.00 0.00 C ATOM 113 C ASP A 8 -14.194 2.022 -11.519 1.00 0.00 C ATOM 114 O ASP A 8 -14.309 0.813 -11.740 1.00 0.00 O ATOM 115 CB ASP A 8 -16.168 2.408 -9.975 1.00 0.00 C ATOM 116 CG ASP A 8 -16.784 1.032 -10.128 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.824 0.912 -10.808 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.258 0.068 -9.537 1.00 0.00 O ATOM 0 H ASP A 8 -17.225 2.589 -12.235 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.048 3.905 -11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.482 2.395 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.956 3.122 -9.736 1.00 0.00 H new ATOM 123 N PRO A 9 -13.007 2.646 -11.575 1.00 0.00 N ATOM 124 CA PRO A 9 -11.768 1.987 -11.942 1.00 0.00 C ATOM 125 C PRO A 9 -10.900 1.591 -10.750 1.00 0.00 C ATOM 126 O PRO A 9 -11.184 1.939 -9.599 1.00 0.00 O ATOM 127 CB PRO A 9 -11.080 3.081 -12.744 1.00 0.00 C ATOM 128 CG PRO A 9 -11.502 4.361 -12.085 1.00 0.00 C ATOM 129 CD PRO A 9 -12.774 4.075 -11.321 1.00 0.00 C ATOM 0 HA PRO A 9 -11.940 1.045 -12.464 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.996 2.964 -12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.384 3.056 -13.790 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.723 4.722 -11.413 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.668 5.140 -12.829 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.659 4.281 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.603 4.687 -11.676 1.00 0.00 H new ATOM 137 N THR A 10 -9.830 0.871 -11.045 1.00 0.00 N ATOM 138 CA THR A 10 -8.890 0.433 -10.034 1.00 0.00 C ATOM 139 C THR A 10 -7.587 1.225 -10.139 1.00 0.00 C ATOM 140 O THR A 10 -7.028 1.368 -11.227 1.00 0.00 O ATOM 141 CB THR A 10 -8.588 -1.065 -10.202 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.798 -1.777 -10.505 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.971 -1.632 -8.939 1.00 0.00 C ATOM 0 H THR A 10 -9.591 0.576 -11.992 1.00 0.00 H new ATOM 0 HA THR A 10 -9.337 0.605 -9.055 1.00 0.00 H new ATOM 0 HB THR A 10 -7.880 -1.182 -11.022 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.598 -2.730 -10.612 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.765 -2.693 -9.079 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.041 -1.108 -8.721 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.663 -1.504 -8.107 1.00 0.00 H new ATOM 151 N LEU A 11 -7.114 1.743 -9.015 1.00 0.00 N ATOM 152 CA LEU A 11 -5.895 2.536 -8.993 1.00 0.00 C ATOM 153 C LEU A 11 -4.740 1.702 -8.452 1.00 0.00 C ATOM 154 O LEU A 11 -4.889 0.980 -7.464 1.00 0.00 O ATOM 155 CB LEU A 11 -6.094 3.791 -8.133 1.00 0.00 C ATOM 156 CG LEU A 11 -4.922 4.779 -8.137 1.00 0.00 C ATOM 157 CD1 LEU A 11 -4.691 5.331 -9.534 1.00 0.00 C ATOM 158 CD2 LEU A 11 -5.174 5.913 -7.156 1.00 0.00 C ATOM 0 H LEU A 11 -7.558 1.628 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.658 2.846 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.987 4.311 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.283 3.481 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.025 4.244 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.855 6.030 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.464 4.512 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.589 5.848 -9.874 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.331 6.603 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.083 6.443 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.289 5.506 -6.151 1.00 0.00 H new ATOM 170 N THR A 12 -3.596 1.785 -9.112 1.00 0.00 N ATOM 171 CA THR A 12 -2.425 1.043 -8.687 1.00 0.00 C ATOM 172 C THR A 12 -1.461 1.946 -7.920 1.00 0.00 C ATOM 173 O THR A 12 -0.794 2.804 -8.501 1.00 0.00 O ATOM 174 CB THR A 12 -1.706 0.417 -9.895 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.666 -0.264 -10.715 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.635 -0.566 -9.444 1.00 0.00 C ATOM 0 H THR A 12 -3.456 2.359 -9.943 1.00 0.00 H new ATOM 0 HA THR A 12 -2.759 0.244 -8.026 1.00 0.00 H new ATOM 0 HB THR A 12 -1.224 1.212 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.213 -0.663 -11.487 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.143 -0.994 -10.317 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.101 -0.046 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.095 -1.363 -8.860 1.00 0.00 H new ATOM 184 N LEU A 13 -1.412 1.761 -6.611 1.00 0.00 N ATOM 185 CA LEU A 13 -0.533 2.547 -5.759 1.00 0.00 C ATOM 186 C LEU A 13 0.688 1.727 -5.371 1.00 0.00 C ATOM 187 O LEU A 13 0.661 0.498 -5.420 1.00 0.00 O ATOM 188 CB LEU A 13 -1.268 3.000 -4.492 1.00 0.00 C ATOM 189 CG LEU A 13 -2.490 3.891 -4.717 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.186 4.173 -3.396 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.083 5.189 -5.387 1.00 0.00 C ATOM 0 H LEU A 13 -1.973 1.070 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.217 3.429 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.584 2.114 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.563 3.536 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.186 3.367 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.054 4.808 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.508 3.234 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.495 4.680 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.965 5.812 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.371 5.718 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.621 4.972 -6.350 1.00 0.00 H new ATOM 203 N SER A 14 1.754 2.404 -4.992 1.00 0.00 N ATOM 204 CA SER A 14 2.951 1.730 -4.529 1.00 0.00 C ATOM 205 C SER A 14 2.964 1.701 -3.008 1.00 0.00 C ATOM 206 O SER A 14 2.587 2.682 -2.361 1.00 0.00 O ATOM 207 CB SER A 14 4.204 2.441 -5.055 1.00 0.00 C ATOM 208 OG SER A 14 5.391 1.771 -4.655 1.00 0.00 O ATOM 0 H SER A 14 1.816 3.422 -4.996 1.00 0.00 H new ATOM 0 HA SER A 14 2.951 0.708 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.164 2.493 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.223 3.467 -4.687 1.00 0.00 H new ATOM 0 HG SER A 14 6.171 2.248 -5.008 1.00 0.00 H new ATOM 214 N LEU A 15 3.365 0.570 -2.443 1.00 0.00 N ATOM 215 CA LEU A 15 3.545 0.470 -1.006 1.00 0.00 C ATOM 216 C LEU A 15 4.887 1.085 -0.631 1.00 0.00 C ATOM 217 O LEU A 15 5.919 0.718 -1.188 1.00 0.00 O ATOM 218 CB LEU A 15 3.482 -0.995 -0.558 1.00 0.00 C ATOM 219 CG LEU A 15 3.542 -1.227 0.955 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.333 -0.613 1.642 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.627 -2.714 1.261 1.00 0.00 C ATOM 0 H LEU A 15 3.570 -0.286 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 15 2.744 1.010 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.559 -1.433 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.307 -1.534 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 15 4.438 -0.741 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.396 -0.790 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.312 0.460 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.423 -1.069 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.669 -2.862 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.748 -3.219 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.525 -3.129 0.803 1.00 0.00 H new ATOM 233 N ILE A 16 4.866 2.048 0.274 1.00 0.00 N ATOM 234 CA ILE A 16 6.087 2.720 0.685 1.00 0.00 C ATOM 235 C ILE A 16 6.380 2.479 2.160 1.00 0.00 C ATOM 236 O ILE A 16 5.482 2.161 2.946 1.00 0.00 O ATOM 237 CB ILE A 16 6.026 4.243 0.421 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.838 4.873 1.154 1.00 0.00 C ATOM 239 CG2 ILE A 16 5.942 4.517 -1.076 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.799 6.385 1.068 1.00 0.00 C ATOM 0 H ILE A 16 4.020 2.381 0.737 1.00 0.00 H new ATOM 0 HA ILE A 16 6.890 2.295 0.083 1.00 0.00 H new ATOM 0 HB ILE A 16 6.939 4.697 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.913 4.471 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.873 4.579 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.900 5.593 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.821 4.105 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.045 4.049 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.930 6.758 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.707 6.798 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.732 6.688 0.023 1.00 0.00 H new ATOM 252 N ALA A 17 7.645 2.621 2.519 1.00 0.00 N ATOM 253 CA ALA A 17 8.079 2.476 3.896 1.00 0.00 C ATOM 254 C ALA A 17 7.963 3.813 4.613 1.00 0.00 C ATOM 255 O ALA A 17 8.598 4.795 4.221 1.00 0.00 O ATOM 256 CB ALA A 17 9.509 1.958 3.942 1.00 0.00 C ATOM 0 H ALA A 17 8.397 2.839 1.865 1.00 0.00 H new ATOM 0 HA ALA A 17 7.440 1.753 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.825 1.853 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.561 0.988 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.167 2.661 3.432 1.00 0.00 H new ATOM 262 N LYS A 18 7.143 3.859 5.649 1.00 0.00 N ATOM 263 CA LYS A 18 6.902 5.097 6.368 1.00 0.00 C ATOM 264 C LYS A 18 7.405 4.989 7.802 1.00 0.00 C ATOM 265 O LYS A 18 7.139 3.995 8.486 1.00 0.00 O ATOM 266 CB LYS A 18 5.409 5.431 6.342 1.00 0.00 C ATOM 267 CG LYS A 18 5.059 6.757 6.996 1.00 0.00 C ATOM 268 CD LYS A 18 3.578 7.059 6.860 1.00 0.00 C ATOM 269 CE LYS A 18 3.188 8.314 7.619 1.00 0.00 C ATOM 270 NZ LYS A 18 3.494 8.193 9.067 1.00 0.00 N ATOM 0 H LYS A 18 6.633 3.053 6.011 1.00 0.00 H new ATOM 0 HA LYS A 18 7.450 5.902 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.069 5.448 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.860 4.634 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.332 6.729 8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.640 7.557 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.326 7.178 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.999 6.214 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.719 9.171 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.123 8.504 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.693 8.555 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.657 7.194 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.347 8.745 9.289 1.00 0.00 H new ATOM 284 N ASN A 19 8.152 6.006 8.236 1.00 0.00 N ATOM 285 CA ASN A 19 8.715 6.054 9.588 1.00 0.00 C ATOM 286 C ASN A 19 9.648 4.875 9.836 1.00 0.00 C ATOM 287 O ASN A 19 9.860 4.464 10.977 1.00 0.00 O ATOM 288 CB ASN A 19 7.608 6.067 10.647 1.00 0.00 C ATOM 289 CG ASN A 19 6.856 7.382 10.713 1.00 0.00 C ATOM 290 OD1 ASN A 19 7.393 8.441 10.388 1.00 0.00 O ATOM 291 ND2 ASN A 19 5.603 7.325 11.141 1.00 0.00 N ATOM 0 H ASN A 19 8.384 6.817 7.663 1.00 0.00 H new ATOM 0 HA ASN A 19 9.288 6.978 9.668 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.903 5.263 10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.046 5.858 11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.048 8.178 11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.193 6.428 11.401 1.00 0.00 H new ATOM 298 N THR A 20 10.222 4.355 8.762 1.00 0.00 N ATOM 299 CA THR A 20 11.087 3.194 8.839 1.00 0.00 C ATOM 300 C THR A 20 12.486 3.586 9.310 1.00 0.00 C ATOM 301 O THR A 20 13.158 4.406 8.680 1.00 0.00 O ATOM 302 CB THR A 20 11.162 2.495 7.471 1.00 0.00 C ATOM 303 OG1 THR A 20 9.834 2.183 7.034 1.00 0.00 O ATOM 304 CG2 THR A 20 11.993 1.219 7.544 1.00 0.00 C ATOM 0 H THR A 20 10.101 4.725 7.819 1.00 0.00 H new ATOM 0 HA THR A 20 10.664 2.502 9.567 1.00 0.00 H new ATOM 0 HB THR A 20 11.645 3.168 6.762 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.373 3.008 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.026 0.750 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.006 1.462 7.864 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.542 0.531 8.259 1.00 0.00 H new ATOM 312 N PRO A 21 12.921 3.028 10.449 1.00 0.00 N ATOM 313 CA PRO A 21 14.245 3.296 11.018 1.00 0.00 C ATOM 314 C PRO A 21 15.374 2.844 10.098 1.00 0.00 C ATOM 315 O PRO A 21 15.186 1.983 9.237 1.00 0.00 O ATOM 316 CB PRO A 21 14.262 2.475 12.313 1.00 0.00 C ATOM 317 CG PRO A 21 12.832 2.183 12.611 1.00 0.00 C ATOM 318 CD PRO A 21 12.148 2.091 11.280 1.00 0.00 C ATOM 0 HA PRO A 21 14.405 4.363 11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.834 1.555 12.188 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.728 3.032 13.126 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.731 1.251 13.168 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.392 2.970 13.223 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.177 1.077 10.880 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.099 2.379 11.344 1.00 0.00 H new ATOM 326 N ALA A 22 16.555 3.411 10.295 1.00 0.00 N ATOM 327 CA ALA A 22 17.709 3.074 9.474 1.00 0.00 C ATOM 328 C ALA A 22 18.334 1.764 9.938 1.00 0.00 C ATOM 329 O ALA A 22 19.226 1.224 9.290 1.00 0.00 O ATOM 330 CB ALA A 22 18.736 4.195 9.514 1.00 0.00 C ATOM 0 H ALA A 22 16.740 4.107 11.017 1.00 0.00 H new ATOM 0 HA ALA A 22 17.372 2.949 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.592 3.926 8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.287 5.113 9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 22 19.066 4.350 10.541 1.00 0.00 H new ATOM 336 N ASN A 23 17.851 1.261 11.067 1.00 0.00 N ATOM 337 CA ASN A 23 18.349 0.010 11.627 1.00 0.00 C ATOM 338 C ASN A 23 17.580 -1.177 11.057 1.00 0.00 C ATOM 339 O ASN A 23 17.917 -2.332 11.311 1.00 0.00 O ATOM 340 CB ASN A 23 18.222 0.016 13.153 1.00 0.00 C ATOM 341 CG ASN A 23 19.018 1.129 13.808 1.00 0.00 C ATOM 342 OD1 ASN A 23 20.058 1.555 13.301 1.00 0.00 O ATOM 343 ND2 ASN A 23 18.528 1.616 14.938 1.00 0.00 N ATOM 0 H ASN A 23 17.112 1.702 11.615 1.00 0.00 H new ATOM 0 HA ASN A 23 19.401 -0.084 11.357 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.171 0.119 13.425 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.559 -0.944 13.544 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.014 2.371 15.421 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.664 1.236 15.325 1.00 0.00 H new ATOM 350 N SER A 24 16.551 -0.885 10.279 1.00 0.00 N ATOM 351 CA SER A 24 15.726 -1.924 9.693 1.00 0.00 C ATOM 352 C SER A 24 15.859 -1.931 8.175 1.00 0.00 C ATOM 353 O SER A 24 15.772 -0.888 7.528 1.00 0.00 O ATOM 354 CB SER A 24 14.267 -1.729 10.111 1.00 0.00 C ATOM 355 OG SER A 24 13.875 -0.370 9.989 1.00 0.00 O ATOM 0 H SER A 24 16.268 0.065 10.039 1.00 0.00 H new ATOM 0 HA SER A 24 16.069 -2.891 10.061 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.622 -2.353 9.492 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.134 -2.057 11.142 1.00 0.00 H new ATOM 0 HG SER A 24 14.401 0.060 9.283 1.00 0.00 H new ATOM 361 N MET A 25 16.088 -3.109 7.622 1.00 0.00 N ATOM 362 CA MET A 25 16.238 -3.280 6.186 1.00 0.00 C ATOM 363 C MET A 25 15.251 -4.323 5.681 1.00 0.00 C ATOM 364 O MET A 25 15.273 -5.468 6.122 1.00 0.00 O ATOM 365 CB MET A 25 17.672 -3.708 5.857 1.00 0.00 C ATOM 366 CG MET A 25 17.900 -4.039 4.388 1.00 0.00 C ATOM 367 SD MET A 25 19.583 -4.601 4.055 1.00 0.00 S ATOM 368 CE MET A 25 19.675 -6.039 5.121 1.00 0.00 C ATOM 0 H MET A 25 16.175 -3.974 8.155 1.00 0.00 H new ATOM 0 HA MET A 25 16.031 -2.331 5.692 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.354 -2.909 6.149 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.927 -4.580 6.459 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.195 -4.812 4.080 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.690 -3.157 3.784 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.556 -6.627 4.863 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.745 -5.718 6.160 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.781 -6.648 4.989 1.00 0.00 H new ATOM 378 N ILE A 26 14.384 -3.930 4.768 1.00 0.00 N ATOM 379 CA ILE A 26 13.389 -4.847 4.234 1.00 0.00 C ATOM 380 C ILE A 26 14.010 -5.703 3.134 1.00 0.00 C ATOM 381 O ILE A 26 14.572 -5.172 2.173 1.00 0.00 O ATOM 382 CB ILE A 26 12.166 -4.093 3.667 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.787 -2.921 4.578 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.987 -5.046 3.520 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.639 -2.084 4.057 1.00 0.00 C ATOM 0 H ILE A 26 14.346 -2.987 4.380 1.00 0.00 H new ATOM 0 HA ILE A 26 13.049 -5.481 5.053 1.00 0.00 H new ATOM 0 HB ILE A 26 12.427 -3.697 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.523 -3.309 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.659 -2.281 4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.130 -4.505 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.255 -5.855 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.731 -5.461 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.431 -1.275 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.906 -1.664 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.752 -2.709 3.951 1.00 0.00 H new ATOM 397 N MET A 27 13.943 -7.023 3.290 1.00 0.00 N ATOM 398 CA MET A 27 14.496 -7.931 2.288 1.00 0.00 C ATOM 399 C MET A 27 13.587 -7.977 1.069 1.00 0.00 C ATOM 400 O MET A 27 14.012 -7.692 -0.054 1.00 0.00 O ATOM 401 CB MET A 27 14.669 -9.346 2.847 1.00 0.00 C ATOM 402 CG MET A 27 15.451 -10.258 1.912 1.00 0.00 C ATOM 403 SD MET A 27 15.391 -11.995 2.392 1.00 0.00 S ATOM 404 CE MET A 27 13.661 -12.366 2.104 1.00 0.00 C ATOM 0 H MET A 27 13.515 -7.485 4.093 1.00 0.00 H new ATOM 0 HA MET A 27 15.478 -7.552 2.004 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.182 -9.292 3.807 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.687 -9.781 3.034 1.00 0.00 H new ATOM 0 HG2 MET A 27 15.057 -10.154 0.901 1.00 0.00 H new ATOM 0 HG3 MET A 27 16.491 -9.932 1.884 1.00 0.00 H new ATOM 0 HE1 MET A 27 13.523 -13.446 2.060 1.00 0.00 H new ATOM 0 HE2 MET A 27 13.061 -11.956 2.916 1.00 0.00 H new ATOM 0 HE3 MET A 27 13.346 -11.921 1.160 1.00 0.00 H new ATOM 414 N THR A 28 12.334 -8.341 1.302 1.00 0.00 N ATOM 415 CA THR A 28 11.341 -8.381 0.243 1.00 0.00 C ATOM 416 C THR A 28 10.994 -6.959 -0.186 1.00 0.00 C ATOM 417 O THR A 28 11.150 -6.013 0.588 1.00 0.00 O ATOM 418 CB THR A 28 10.067 -9.132 0.705 1.00 0.00 C ATOM 419 OG1 THR A 28 9.165 -9.327 -0.393 1.00 0.00 O ATOM 420 CG2 THR A 28 9.355 -8.377 1.821 1.00 0.00 C ATOM 0 H THR A 28 11.982 -8.614 2.220 1.00 0.00 H new ATOM 0 HA THR A 28 11.758 -8.922 -0.607 1.00 0.00 H new ATOM 0 HB THR A 28 10.382 -10.103 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.368 -9.804 -0.081 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.465 -8.929 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.025 -8.272 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.065 -7.389 1.464 1.00 0.00 H new ATOM 428 N LYS A 29 10.550 -6.798 -1.418 1.00 0.00 N ATOM 429 CA LYS A 29 10.231 -5.479 -1.929 1.00 0.00 C ATOM 430 C LYS A 29 8.754 -5.178 -1.746 1.00 0.00 C ATOM 431 O LYS A 29 7.904 -6.059 -1.901 1.00 0.00 O ATOM 432 CB LYS A 29 10.627 -5.367 -3.399 1.00 0.00 C ATOM 433 CG LYS A 29 12.118 -5.535 -3.615 1.00 0.00 C ATOM 434 CD LYS A 29 12.494 -5.438 -5.079 1.00 0.00 C ATOM 435 CE LYS A 29 13.993 -5.594 -5.269 1.00 0.00 C ATOM 436 NZ LYS A 29 14.753 -4.552 -4.532 1.00 0.00 N ATOM 0 H LYS A 29 10.403 -7.560 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 29 10.801 -4.742 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.093 -6.123 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.315 -4.396 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.654 -4.771 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.434 -6.501 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.970 -6.209 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.172 -4.476 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.302 -6.581 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.233 -5.536 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.724 -4.504 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.289 -3.630 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.779 -4.792 -3.520 1.00 0.00 H new ATOM 450 N LEU A 30 8.464 -3.937 -1.397 1.00 0.00 N ATOM 451 CA LEU A 30 7.099 -3.497 -1.162 1.00 0.00 C ATOM 452 C LEU A 30 6.308 -3.511 -2.467 1.00 0.00 C ATOM 453 O LEU A 30 6.613 -2.756 -3.392 1.00 0.00 O ATOM 454 CB LEU A 30 7.114 -2.095 -0.557 1.00 0.00 C ATOM 455 CG LEU A 30 7.937 -1.960 0.727 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.009 -0.509 1.167 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.351 -2.825 1.834 1.00 0.00 C ATOM 0 H LEU A 30 9.165 -3.207 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 30 6.614 -4.179 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.506 -1.399 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.088 -1.794 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 30 8.950 -2.307 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.598 -0.435 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.478 0.086 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.002 -0.135 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.950 -2.715 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.327 -2.512 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.355 -3.869 1.521 1.00 0.00 H new ATOM 469 N PRO A 31 5.292 -4.382 -2.567 1.00 0.00 N ATOM 470 CA PRO A 31 4.536 -4.576 -3.805 1.00 0.00 C ATOM 471 C PRO A 31 3.589 -3.421 -4.109 1.00 0.00 C ATOM 472 O PRO A 31 3.410 -2.508 -3.299 1.00 0.00 O ATOM 473 CB PRO A 31 3.728 -5.860 -3.555 1.00 0.00 C ATOM 474 CG PRO A 31 4.181 -6.390 -2.231 1.00 0.00 C ATOM 475 CD PRO A 31 4.789 -5.238 -1.488 1.00 0.00 C ATOM 0 HA PRO A 31 5.205 -4.635 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.658 -5.650 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.902 -6.589 -4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.342 -6.809 -1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.908 -7.191 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.053 -4.721 -0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.590 -5.563 -0.823 1.00 0.00 H new ATOM 483 N SER A 32 2.987 -3.469 -5.284 1.00 0.00 N ATOM 484 CA SER A 32 1.983 -2.496 -5.662 1.00 0.00 C ATOM 485 C SER A 32 0.639 -2.903 -5.074 1.00 0.00 C ATOM 486 O SER A 32 0.259 -4.073 -5.136 1.00 0.00 O ATOM 487 CB SER A 32 1.885 -2.413 -7.185 1.00 0.00 C ATOM 488 OG SER A 32 3.169 -2.266 -7.773 1.00 0.00 O ATOM 0 H SER A 32 3.179 -4.176 -5.994 1.00 0.00 H new ATOM 0 HA SER A 32 2.264 -1.516 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.406 -3.313 -7.571 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.254 -1.570 -7.466 1.00 0.00 H new ATOM 0 HG SER A 32 3.079 -2.217 -8.748 1.00 0.00 H new ATOM 494 N VAL A 33 -0.068 -1.954 -4.488 1.00 0.00 N ATOM 495 CA VAL A 33 -1.367 -2.240 -3.912 1.00 0.00 C ATOM 496 C VAL A 33 -2.466 -1.909 -4.913 1.00 0.00 C ATOM 497 O VAL A 33 -2.405 -0.896 -5.617 1.00 0.00 O ATOM 498 CB VAL A 33 -1.607 -1.477 -2.588 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.566 -1.865 -1.549 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.604 0.026 -2.808 1.00 0.00 C ATOM 0 H VAL A 33 0.234 -0.984 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.390 -3.305 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.592 -1.759 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.752 -1.317 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.627 -2.936 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.429 -1.620 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.775 0.533 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.640 0.332 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.395 0.293 -3.509 1.00 0.00 H new ATOM 510 N ARG A 34 -3.450 -2.780 -4.985 1.00 0.00 N ATOM 511 CA ARG A 34 -4.548 -2.620 -5.912 1.00 0.00 C ATOM 512 C ARG A 34 -5.793 -2.160 -5.168 1.00 0.00 C ATOM 513 O ARG A 34 -6.442 -2.937 -4.467 1.00 0.00 O ATOM 514 CB ARG A 34 -4.794 -3.937 -6.659 1.00 0.00 C ATOM 515 CG ARG A 34 -6.069 -3.951 -7.481 1.00 0.00 C ATOM 516 CD ARG A 34 -6.038 -5.020 -8.563 1.00 0.00 C ATOM 517 NE ARG A 34 -5.712 -6.347 -8.043 1.00 0.00 N ATOM 518 CZ ARG A 34 -6.513 -7.407 -8.155 1.00 0.00 C ATOM 519 NH1 ARG A 34 -7.756 -7.264 -8.608 1.00 0.00 N ATOM 520 NH2 ARG A 34 -6.078 -8.606 -7.785 1.00 0.00 N ATOM 0 H ARG A 34 -3.511 -3.616 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.297 -1.856 -6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.947 -4.133 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.831 -4.752 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.922 -4.124 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.214 -2.974 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.009 -5.058 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.305 -4.742 -9.320 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.819 -6.469 -7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.100 -6.340 -8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.365 -8.078 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.133 -8.714 -7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.689 -9.419 -7.870 1.00 0.00 H new ATOM 534 N VAL A 35 -6.099 -0.880 -5.302 1.00 0.00 N ATOM 535 CA VAL A 35 -7.245 -0.298 -4.631 1.00 0.00 C ATOM 536 C VAL A 35 -8.244 0.217 -5.655 1.00 0.00 C ATOM 537 O VAL A 35 -7.893 0.977 -6.556 1.00 0.00 O ATOM 538 CB VAL A 35 -6.835 0.844 -3.666 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.017 0.296 -2.507 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.056 1.932 -4.393 1.00 0.00 C ATOM 0 H VAL A 35 -5.566 -0.223 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.708 -1.083 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.749 1.289 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.738 1.112 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.609 -0.435 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.116 -0.182 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.784 2.717 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.152 1.504 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.674 2.354 -5.186 1.00 0.00 H new ATOM 550 N LYS A 36 -9.483 -0.219 -5.545 1.00 0.00 N ATOM 551 CA LYS A 36 -10.499 0.207 -6.486 1.00 0.00 C ATOM 552 C LYS A 36 -11.221 1.423 -5.933 1.00 0.00 C ATOM 553 O LYS A 36 -11.462 1.508 -4.725 1.00 0.00 O ATOM 554 CB LYS A 36 -11.495 -0.915 -6.778 1.00 0.00 C ATOM 555 CG LYS A 36 -12.152 -0.772 -8.141 1.00 0.00 C ATOM 556 CD LYS A 36 -13.306 -1.738 -8.332 1.00 0.00 C ATOM 557 CE LYS A 36 -13.782 -1.734 -9.776 1.00 0.00 C ATOM 558 NZ LYS A 36 -15.152 -2.292 -9.915 1.00 0.00 N ATOM 0 H LYS A 36 -9.808 -0.861 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.012 0.467 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.981 -1.875 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.265 -0.923 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.513 0.249 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.408 -0.941 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.994 -2.744 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.129 -1.463 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.766 -0.714 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.091 -2.315 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.339 -2.507 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.231 -3.163 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.846 -1.597 -9.574 1.00 0.00 H new ATOM 572 N THR A 37 -11.551 2.357 -6.807 1.00 0.00 N ATOM 573 CA THR A 37 -12.194 3.592 -6.396 1.00 0.00 C ATOM 574 C THR A 37 -13.572 3.728 -7.032 1.00 0.00 C ATOM 575 O THR A 37 -13.780 3.320 -8.171 1.00 0.00 O ATOM 576 CB THR A 37 -11.332 4.813 -6.766 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.970 4.754 -8.153 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.074 4.871 -5.911 1.00 0.00 C ATOM 0 H THR A 37 -11.383 2.283 -7.810 1.00 0.00 H new ATOM 0 HA THR A 37 -12.307 3.556 -5.313 1.00 0.00 H new ATOM 0 HB THR A 37 -11.919 5.713 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.423 5.534 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.483 5.742 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.352 4.945 -4.860 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.485 3.967 -6.068 1.00 0.00 H new ATOM 586 N GLU A 38 -14.504 4.304 -6.288 1.00 0.00 N ATOM 587 CA GLU A 38 -15.867 4.477 -6.753 1.00 0.00 C ATOM 588 C GLU A 38 -16.040 5.875 -7.326 1.00 0.00 C ATOM 589 O GLU A 38 -16.052 6.866 -6.588 1.00 0.00 O ATOM 590 CB GLU A 38 -16.851 4.252 -5.602 1.00 0.00 C ATOM 591 CG GLU A 38 -18.302 4.162 -6.037 1.00 0.00 C ATOM 592 CD GLU A 38 -19.247 4.025 -4.863 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.279 2.943 -4.238 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.951 5.005 -4.548 1.00 0.00 O ATOM 0 H GLU A 38 -14.335 4.663 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 38 -16.072 3.744 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.581 3.333 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.747 5.066 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.563 5.053 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.427 3.308 -6.703 1.00 0.00 H new ATOM 601 N GLY A 39 -16.144 5.949 -8.641 1.00 0.00 N ATOM 602 CA GLY A 39 -16.274 7.221 -9.311 1.00 0.00 C ATOM 603 C GLY A 39 -15.582 7.198 -10.652 1.00 0.00 C ATOM 604 O GLY A 39 -15.661 6.204 -11.371 1.00 0.00 O ATOM 0 H GLY A 39 -16.140 5.140 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.329 7.459 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.847 8.009 -8.690 1.00 0.00 H new ATOM 608 N TYR A 40 -14.890 8.274 -10.988 1.00 0.00 N ATOM 609 CA TYR A 40 -14.142 8.332 -12.232 1.00 0.00 C ATOM 610 C TYR A 40 -12.912 9.214 -12.058 1.00 0.00 C ATOM 611 O TYR A 40 -13.017 10.356 -11.606 1.00 0.00 O ATOM 612 CB TYR A 40 -15.031 8.859 -13.362 1.00 0.00 C ATOM 613 CG TYR A 40 -14.427 8.701 -14.738 1.00 0.00 C ATOM 614 CD1 TYR A 40 -14.205 7.439 -15.276 1.00 0.00 C ATOM 615 CD2 TYR A 40 -14.092 9.810 -15.503 1.00 0.00 C ATOM 616 CE1 TYR A 40 -13.662 7.287 -16.537 1.00 0.00 C ATOM 617 CE2 TYR A 40 -13.549 9.666 -16.764 1.00 0.00 C ATOM 618 CZ TYR A 40 -13.336 8.404 -17.277 1.00 0.00 C ATOM 619 OH TYR A 40 -12.798 8.258 -18.535 1.00 0.00 O ATOM 0 H TYR A 40 -14.831 9.118 -10.418 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.814 7.327 -12.497 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.987 8.336 -13.333 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.239 9.914 -13.186 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.461 6.563 -14.699 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.259 10.800 -15.106 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.494 6.300 -16.941 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.292 10.538 -17.346 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.626 9.142 -18.922 1.00 0.00 H new ATOM 629 N ASN A 41 -11.749 8.679 -12.398 1.00 0.00 N ATOM 630 CA ASN A 41 -10.498 9.403 -12.221 1.00 0.00 C ATOM 631 C ASN A 41 -9.956 9.929 -13.547 1.00 0.00 C ATOM 632 O ASN A 41 -9.506 9.167 -14.401 1.00 0.00 O ATOM 633 CB ASN A 41 -9.444 8.534 -11.512 1.00 0.00 C ATOM 634 CG ASN A 41 -9.348 7.110 -12.040 1.00 0.00 C ATOM 635 OD1 ASN A 41 -9.698 6.820 -13.182 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.862 6.208 -11.201 1.00 0.00 N ATOM 0 H ASN A 41 -11.645 7.746 -12.798 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.715 10.262 -11.586 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.470 9.012 -11.611 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.675 8.499 -10.447 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.768 5.236 -11.495 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.582 6.485 -10.260 1.00 0.00 H new ATOM 643 N PRO A 42 -10.010 11.253 -13.740 1.00 0.00 N ATOM 644 CA PRO A 42 -9.468 11.901 -14.933 1.00 0.00 C ATOM 645 C PRO A 42 -7.942 11.886 -14.939 1.00 0.00 C ATOM 646 O PRO A 42 -7.317 11.526 -15.939 1.00 0.00 O ATOM 647 CB PRO A 42 -9.987 13.343 -14.844 1.00 0.00 C ATOM 648 CG PRO A 42 -11.005 13.342 -13.749 1.00 0.00 C ATOM 649 CD PRO A 42 -10.619 12.225 -12.826 1.00 0.00 C ATOM 0 HA PRO A 42 -9.774 11.391 -15.846 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.176 14.038 -14.624 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.429 13.659 -15.789 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.014 14.297 -13.223 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.008 13.189 -14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.918 12.556 -12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.484 11.809 -12.309 1.00 0.00 H new ATOM 657 N SER A 43 -7.350 12.272 -13.818 1.00 0.00 N ATOM 658 CA SER A 43 -5.903 12.307 -13.692 1.00 0.00 C ATOM 659 C SER A 43 -5.455 11.622 -12.401 1.00 0.00 C ATOM 660 O SER A 43 -4.875 10.537 -12.439 1.00 0.00 O ATOM 661 CB SER A 43 -5.412 13.757 -13.722 1.00 0.00 C ATOM 662 OG SER A 43 -5.898 14.436 -14.868 1.00 0.00 O ATOM 0 H SER A 43 -7.853 12.566 -12.981 1.00 0.00 H new ATOM 0 HA SER A 43 -5.468 11.766 -14.533 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.742 14.275 -12.821 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.322 13.775 -13.719 1.00 0.00 H new ATOM 0 HG SER A 43 -5.572 15.360 -14.863 1.00 0.00 H new ATOM 668 N ILE A 44 -5.772 12.253 -11.266 1.00 0.00 N ATOM 669 CA ILE A 44 -5.362 11.774 -9.945 1.00 0.00 C ATOM 670 C ILE A 44 -3.843 11.817 -9.780 1.00 0.00 C ATOM 671 O ILE A 44 -3.100 11.139 -10.493 1.00 0.00 O ATOM 672 CB ILE A 44 -5.889 10.351 -9.662 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.417 10.360 -9.594 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.303 9.794 -8.371 1.00 0.00 C ATOM 675 CD1 ILE A 44 -7.974 11.286 -8.533 1.00 0.00 C ATOM 0 H ILE A 44 -6.321 13.112 -11.239 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.807 12.451 -9.215 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.574 9.703 -10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.813 10.655 -10.566 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.769 9.347 -9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.692 8.791 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.217 9.753 -8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.580 10.439 -7.537 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.063 11.239 -8.544 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.608 10.979 -7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.653 12.307 -8.737 1.00 0.00 H new ATOM 687 N ASN A 45 -3.381 12.615 -8.830 1.00 0.00 N ATOM 688 CA ASN A 45 -1.953 12.778 -8.621 1.00 0.00 C ATOM 689 C ASN A 45 -1.409 11.667 -7.730 1.00 0.00 C ATOM 690 O ASN A 45 -1.383 11.777 -6.500 1.00 0.00 O ATOM 691 CB ASN A 45 -1.632 14.154 -8.032 1.00 0.00 C ATOM 692 CG ASN A 45 -0.138 14.413 -7.977 1.00 0.00 C ATOM 693 OD1 ASN A 45 0.630 13.830 -8.740 1.00 0.00 O ATOM 694 ND2 ASN A 45 0.283 15.308 -7.100 1.00 0.00 N ATOM 0 H ASN A 45 -3.970 13.156 -8.196 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.463 12.710 -9.592 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.112 14.927 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.050 14.225 -7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.275 15.536 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.385 15.771 -6.483 1.00 0.00 H new ATOM 701 N VAL A 46 -0.976 10.589 -8.370 1.00 0.00 N ATOM 702 CA VAL A 46 -0.450 9.424 -7.667 1.00 0.00 C ATOM 703 C VAL A 46 0.990 9.683 -7.210 1.00 0.00 C ATOM 704 O VAL A 46 1.682 8.795 -6.713 1.00 0.00 O ATOM 705 CB VAL A 46 -0.510 8.164 -8.565 1.00 0.00 C ATOM 706 CG1 VAL A 46 -0.248 6.900 -7.761 1.00 0.00 C ATOM 707 CG2 VAL A 46 -1.856 8.074 -9.270 1.00 0.00 C ATOM 0 H VAL A 46 -0.979 10.496 -9.386 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.071 9.247 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 46 0.274 8.253 -9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.297 6.033 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.742 6.956 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.001 6.804 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.880 7.182 -9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.652 8.017 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.001 8.958 -9.891 1.00 0.00 H new ATOM 717 N ASN A 47 1.439 10.915 -7.387 1.00 0.00 N ATOM 718 CA ASN A 47 2.744 11.327 -6.893 1.00 0.00 C ATOM 719 C ASN A 47 2.645 11.696 -5.420 1.00 0.00 C ATOM 720 O ASN A 47 3.645 11.711 -4.706 1.00 0.00 O ATOM 721 CB ASN A 47 3.278 12.510 -7.703 1.00 0.00 C ATOM 722 CG ASN A 47 3.546 12.149 -9.152 1.00 0.00 C ATOM 723 OD1 ASN A 47 3.952 11.028 -9.464 1.00 0.00 O ATOM 724 ND2 ASN A 47 3.313 13.091 -10.047 1.00 0.00 N ATOM 0 H ASN A 47 0.919 11.648 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 47 3.440 10.496 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.558 13.328 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.199 12.873 -7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.469 12.903 -11.037 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.977 14.007 -9.748 1.00 0.00 H new ATOM 731 N GLU A 48 1.425 11.989 -4.975 1.00 0.00 N ATOM 732 CA GLU A 48 1.170 12.292 -3.571 1.00 0.00 C ATOM 733 C GLU A 48 0.443 11.131 -2.903 1.00 0.00 C ATOM 734 O GLU A 48 0.662 10.840 -1.727 1.00 0.00 O ATOM 735 CB GLU A 48 0.326 13.562 -3.433 1.00 0.00 C ATOM 736 CG GLU A 48 0.961 14.800 -4.043 1.00 0.00 C ATOM 737 CD GLU A 48 2.283 15.164 -3.402 1.00 0.00 C ATOM 738 OE1 GLU A 48 3.331 14.687 -3.882 1.00 0.00 O ATOM 739 OE2 GLU A 48 2.285 15.951 -2.436 1.00 0.00 O ATOM 0 H GLU A 48 0.597 12.023 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 48 2.131 12.450 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.643 13.394 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.138 13.747 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.114 14.635 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.273 15.640 -3.946 1.00 0.00 H new ATOM 746 N LEU A 49 -0.429 10.476 -3.660 1.00 0.00 N ATOM 747 CA LEU A 49 -1.232 9.384 -3.126 1.00 0.00 C ATOM 748 C LEU A 49 -0.458 8.074 -3.133 1.00 0.00 C ATOM 749 O LEU A 49 0.036 7.638 -4.173 1.00 0.00 O ATOM 750 CB LEU A 49 -2.521 9.234 -3.931 1.00 0.00 C ATOM 751 CG LEU A 49 -3.394 10.488 -3.986 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.644 10.225 -4.799 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.758 10.953 -2.583 1.00 0.00 C ATOM 0 H LEU A 49 -0.598 10.682 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.480 9.625 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.265 8.942 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.106 8.420 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.825 11.281 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.255 11.127 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.365 9.942 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.213 9.416 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.379 11.846 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.307 10.164 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.848 11.182 -2.028 1.00 0.00 H new ATOM 765 N PHE A 50 -0.364 7.453 -1.965 1.00 0.00 N ATOM 766 CA PHE A 50 0.371 6.204 -1.801 1.00 0.00 C ATOM 767 C PHE A 50 -0.278 5.331 -0.734 1.00 0.00 C ATOM 768 O PHE A 50 -1.237 5.737 -0.074 1.00 0.00 O ATOM 769 CB PHE A 50 1.827 6.466 -1.387 1.00 0.00 C ATOM 770 CG PHE A 50 2.688 7.082 -2.452 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.146 6.321 -3.515 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.052 8.416 -2.383 1.00 0.00 C ATOM 773 CE1 PHE A 50 3.947 6.880 -4.490 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.855 8.981 -3.355 1.00 0.00 C ATOM 775 CZ PHE A 50 4.303 8.212 -4.409 1.00 0.00 C ATOM 0 H PHE A 50 -0.793 7.799 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 50 0.351 5.694 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.829 7.121 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.277 5.522 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.873 5.278 -3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.704 9.022 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.295 6.277 -5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.132 10.023 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.931 8.651 -5.170 1.00 0.00 H new ATOM 785 N ALA A 51 0.264 4.135 -0.575 1.00 0.00 N ATOM 786 CA ALA A 51 -0.100 3.252 0.517 1.00 0.00 C ATOM 787 C ALA A 51 1.163 2.901 1.282 1.00 0.00 C ATOM 788 O ALA A 51 2.200 2.652 0.673 1.00 0.00 O ATOM 789 CB ALA A 51 -0.782 1.998 -0.003 1.00 0.00 C ATOM 0 H ALA A 51 0.970 3.750 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.808 3.752 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.045 1.353 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.686 2.274 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.105 1.466 -0.672 1.00 0.00 H new ATOM 795 N TYR A 52 1.101 2.901 2.598 1.00 0.00 N ATOM 796 CA TYR A 52 2.310 2.722 3.384 1.00 0.00 C ATOM 797 C TYR A 52 2.122 1.769 4.547 1.00 0.00 C ATOM 798 O TYR A 52 1.003 1.485 4.975 1.00 0.00 O ATOM 799 CB TYR A 52 2.804 4.071 3.915 1.00 0.00 C ATOM 800 CG TYR A 52 1.740 4.893 4.606 1.00 0.00 C ATOM 801 CD1 TYR A 52 1.354 4.616 5.911 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.127 5.952 3.951 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.389 5.371 6.544 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.161 6.710 4.577 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.206 6.415 5.872 1.00 0.00 C ATOM 806 OH TYR A 52 -1.164 7.172 6.500 1.00 0.00 O ATOM 0 H TYR A 52 0.245 3.020 3.140 1.00 0.00 H new ATOM 0 HA TYR A 52 3.050 2.284 2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.622 3.896 4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.211 4.648 3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.817 3.796 6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.411 6.186 2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.102 5.145 7.560 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.306 7.532 4.055 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.838 7.455 5.847 1.00 0.00 H new ATOM 816 N VAL A 53 3.244 1.274 5.034 1.00 0.00 N ATOM 817 CA VAL A 53 3.295 0.563 6.292 1.00 0.00 C ATOM 818 C VAL A 53 4.100 1.398 7.282 1.00 0.00 C ATOM 819 O VAL A 53 5.222 1.821 6.984 1.00 0.00 O ATOM 820 CB VAL A 53 3.917 -0.846 6.146 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.969 -1.769 5.395 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.263 -0.782 5.435 1.00 0.00 C ATOM 0 H VAL A 53 4.146 1.355 4.565 1.00 0.00 H new ATOM 0 HA VAL A 53 2.276 0.417 6.651 1.00 0.00 H new ATOM 0 HB VAL A 53 4.081 -1.246 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.421 -2.756 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.030 -1.851 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.775 -1.362 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.676 -1.787 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.129 -0.356 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.948 -0.157 6.008 1.00 0.00 H new ATOM 832 N ASP A 54 3.518 1.677 8.432 1.00 0.00 N ATOM 833 CA ASP A 54 4.162 2.554 9.397 1.00 0.00 C ATOM 834 C ASP A 54 4.996 1.727 10.359 1.00 0.00 C ATOM 835 O ASP A 54 4.462 1.089 11.271 1.00 0.00 O ATOM 836 CB ASP A 54 3.125 3.377 10.160 1.00 0.00 C ATOM 837 CG ASP A 54 3.694 4.682 10.676 1.00 0.00 C ATOM 838 OD1 ASP A 54 4.528 4.656 11.605 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.303 5.747 10.147 1.00 0.00 O ATOM 0 H ASP A 54 2.610 1.315 8.721 1.00 0.00 H new ATOM 0 HA ASP A 54 4.813 3.247 8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.278 3.586 9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.745 2.792 10.998 1.00 0.00 H new ATOM 844 N LEU A 55 6.303 1.726 10.143 1.00 0.00 N ATOM 845 CA LEU A 55 7.202 0.862 10.895 1.00 0.00 C ATOM 846 C LEU A 55 7.764 1.570 12.121 1.00 0.00 C ATOM 847 O LEU A 55 8.735 1.112 12.727 1.00 0.00 O ATOM 848 CB LEU A 55 8.340 0.371 9.995 1.00 0.00 C ATOM 849 CG LEU A 55 7.895 -0.417 8.757 1.00 0.00 C ATOM 850 CD1 LEU A 55 9.101 -0.928 7.987 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.991 -1.575 9.151 1.00 0.00 C ATOM 0 H LEU A 55 6.766 2.315 9.451 1.00 0.00 H new ATOM 0 HA LEU A 55 6.627 0.004 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.922 1.233 9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.006 -0.257 10.587 1.00 0.00 H new ATOM 0 HG LEU A 55 7.330 0.256 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.765 -1.485 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.713 -0.084 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.692 -1.582 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.687 -2.120 8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.530 -2.246 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.107 -1.190 9.659 1.00 0.00 H new ATOM 863 N SER A 56 7.150 2.683 12.493 1.00 0.00 N ATOM 864 CA SER A 56 7.544 3.390 13.696 1.00 0.00 C ATOM 865 C SER A 56 7.057 2.608 14.912 1.00 0.00 C ATOM 866 O SER A 56 5.857 2.572 15.199 1.00 0.00 O ATOM 867 CB SER A 56 6.965 4.806 13.701 1.00 0.00 C ATOM 868 OG SER A 56 7.605 5.622 14.669 1.00 0.00 O ATOM 0 H SER A 56 6.380 3.113 11.980 1.00 0.00 H new ATOM 0 HA SER A 56 8.630 3.474 13.729 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.081 5.252 12.713 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.896 4.763 13.908 1.00 0.00 H new ATOM 0 HG SER A 56 7.216 6.521 14.648 1.00 0.00 H new ATOM 874 N GLY A 57 7.986 1.956 15.598 1.00 0.00 N ATOM 875 CA GLY A 57 7.620 1.108 16.712 1.00 0.00 C ATOM 876 C GLY A 57 7.407 -0.323 16.266 1.00 0.00 C ATOM 877 O GLY A 57 6.527 -1.021 16.771 1.00 0.00 O ATOM 0 H GLY A 57 8.986 2.000 15.402 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.402 1.142 17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.709 1.486 17.176 1.00 0.00 H new ATOM 881 N SER A 58 8.203 -0.750 15.296 1.00 0.00 N ATOM 882 CA SER A 58 8.121 -2.105 14.774 1.00 0.00 C ATOM 883 C SER A 58 9.447 -2.836 14.963 1.00 0.00 C ATOM 884 O SER A 58 10.517 -2.226 14.902 1.00 0.00 O ATOM 885 CB SER A 58 7.734 -2.074 13.296 1.00 0.00 C ATOM 886 OG SER A 58 6.496 -1.406 13.113 1.00 0.00 O ATOM 0 H SER A 58 8.917 -0.172 14.853 1.00 0.00 H new ATOM 0 HA SER A 58 7.353 -2.645 15.327 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.512 -1.571 12.722 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.663 -3.092 12.913 1.00 0.00 H new ATOM 0 HG SER A 58 5.883 -1.985 12.614 1.00 0.00 H new ATOM 892 N GLU A 59 9.364 -4.136 15.209 1.00 0.00 N ATOM 893 CA GLU A 59 10.548 -4.958 15.416 1.00 0.00 C ATOM 894 C GLU A 59 10.936 -5.690 14.134 1.00 0.00 C ATOM 895 O GLU A 59 10.090 -5.936 13.272 1.00 0.00 O ATOM 896 CB GLU A 59 10.292 -5.977 16.526 1.00 0.00 C ATOM 897 CG GLU A 59 9.990 -5.351 17.873 1.00 0.00 C ATOM 898 CD GLU A 59 9.730 -6.390 18.940 1.00 0.00 C ATOM 899 OE1 GLU A 59 10.706 -6.895 19.531 1.00 0.00 O ATOM 900 OE2 GLU A 59 8.548 -6.710 19.189 1.00 0.00 O ATOM 0 H GLU A 59 8.483 -4.647 15.270 1.00 0.00 H new ATOM 0 HA GLU A 59 11.368 -4.301 15.705 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.456 -6.614 16.236 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.165 -6.622 16.623 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.828 -4.723 18.176 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.120 -4.700 17.783 1.00 0.00 H new ATOM 907 N PRO A 60 12.224 -6.037 13.992 1.00 0.00 N ATOM 908 CA PRO A 60 12.716 -6.830 12.861 1.00 0.00 C ATOM 909 C PRO A 60 12.136 -8.245 12.853 1.00 0.00 C ATOM 910 O PRO A 60 11.516 -8.680 13.826 1.00 0.00 O ATOM 911 CB PRO A 60 14.234 -6.872 13.076 1.00 0.00 C ATOM 912 CG PRO A 60 14.520 -5.760 14.025 1.00 0.00 C ATOM 913 CD PRO A 60 13.312 -5.660 14.904 1.00 0.00 C ATOM 0 HA PRO A 60 12.426 -6.395 11.904 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.548 -7.832 13.486 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.770 -6.737 12.136 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.415 -5.966 14.611 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.696 -4.825 13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.376 -6.332 15.760 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.180 -4.653 15.299 1.00 0.00 H new ATOM 921 N GLY A 61 12.356 -8.963 11.765 1.00 0.00 N ATOM 922 CA GLY A 61 11.768 -10.275 11.604 1.00 0.00 C ATOM 923 C GLY A 61 10.560 -10.224 10.694 1.00 0.00 C ATOM 924 O GLY A 61 10.228 -9.162 10.164 1.00 0.00 O ATOM 0 H GLY A 61 12.936 -8.658 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.509 -10.960 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.477 -10.668 12.578 1.00 0.00 H new ATOM 928 N GLU A 62 9.903 -11.357 10.503 1.00 0.00 N ATOM 929 CA GLU A 62 8.716 -11.407 9.665 1.00 0.00 C ATOM 930 C GLU A 62 7.480 -11.062 10.477 1.00 0.00 C ATOM 931 O GLU A 62 7.078 -11.810 11.370 1.00 0.00 O ATOM 932 CB GLU A 62 8.546 -12.787 9.028 1.00 0.00 C ATOM 933 CG GLU A 62 9.690 -13.175 8.111 1.00 0.00 C ATOM 934 CD GLU A 62 9.396 -14.423 7.309 1.00 0.00 C ATOM 935 OE1 GLU A 62 9.610 -15.533 7.833 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.954 -14.297 6.148 1.00 0.00 O ATOM 0 H GLU A 62 10.170 -12.251 10.915 1.00 0.00 H new ATOM 0 HA GLU A 62 8.840 -10.673 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.454 -13.534 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.615 -12.805 8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.900 -12.351 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.590 -13.333 8.706 1.00 0.00 H new ATOM 943 N HIS A 63 6.895 -9.915 10.183 1.00 0.00 N ATOM 944 CA HIS A 63 5.676 -9.491 10.851 1.00 0.00 C ATOM 945 C HIS A 63 4.634 -9.093 9.823 1.00 0.00 C ATOM 946 O HIS A 63 4.971 -8.665 8.716 1.00 0.00 O ATOM 947 CB HIS A 63 5.939 -8.315 11.799 1.00 0.00 C ATOM 948 CG HIS A 63 6.805 -8.654 12.973 1.00 0.00 C ATOM 949 ND1 HIS A 63 7.917 -7.917 13.325 1.00 0.00 N ATOM 950 CD2 HIS A 63 6.707 -9.645 13.891 1.00 0.00 C ATOM 951 CE1 HIS A 63 8.466 -8.443 14.405 1.00 0.00 C ATOM 952 NE2 HIS A 63 7.751 -9.489 14.767 1.00 0.00 N ATOM 0 H HIS A 63 7.244 -9.259 9.485 1.00 0.00 H new ATOM 0 HA HIS A 63 5.308 -10.330 11.441 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.408 -7.508 11.237 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.984 -7.936 12.164 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.949 -10.414 13.927 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.350 -8.078 14.906 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.943 -10.087 15.570 1.00 0.00 H new ATOM 961 N ASP A 64 3.375 -9.244 10.188 1.00 0.00 N ATOM 962 CA ASP A 64 2.278 -8.868 9.315 1.00 0.00 C ATOM 963 C ASP A 64 1.891 -7.420 9.567 1.00 0.00 C ATOM 964 O ASP A 64 1.239 -7.102 10.562 1.00 0.00 O ATOM 965 CB ASP A 64 1.073 -9.785 9.528 1.00 0.00 C ATOM 966 CG ASP A 64 1.315 -11.193 9.024 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.249 -11.407 7.798 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.572 -12.092 9.854 1.00 0.00 O ATOM 0 H ASP A 64 3.085 -9.627 11.088 1.00 0.00 H new ATOM 0 HA ASP A 64 2.605 -8.975 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.831 -9.820 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.207 -9.364 9.018 1.00 0.00 H new ATOM 973 N TYR A 65 2.309 -6.547 8.667 1.00 0.00 N ATOM 974 CA TYR A 65 2.081 -5.123 8.827 1.00 0.00 C ATOM 975 C TYR A 65 0.856 -4.682 8.043 1.00 0.00 C ATOM 976 O TYR A 65 0.550 -5.227 6.981 1.00 0.00 O ATOM 977 CB TYR A 65 3.318 -4.330 8.403 1.00 0.00 C ATOM 978 CG TYR A 65 4.519 -4.603 9.282 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.539 -4.175 10.604 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.624 -5.291 8.798 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.622 -4.433 11.421 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.712 -5.550 9.608 1.00 0.00 C ATOM 983 CZ TYR A 65 6.707 -5.117 10.919 1.00 0.00 C ATOM 984 OH TYR A 65 7.784 -5.384 11.734 1.00 0.00 O ATOM 0 H TYR A 65 2.810 -6.801 7.815 1.00 0.00 H new ATOM 0 HA TYR A 65 1.894 -4.921 9.882 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.566 -4.576 7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.088 -3.265 8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.693 -3.632 10.999 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.633 -5.629 7.772 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.618 -4.100 12.448 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.563 -6.089 9.218 1.00 0.00 H new ATOM 0 HH TYR A 65 7.612 -6.202 12.245 1.00 0.00 H new ATOM 994 N GLU A 66 0.167 -3.692 8.578 1.00 0.00 N ATOM 995 CA GLU A 66 -1.110 -3.258 8.038 1.00 0.00 C ATOM 996 C GLU A 66 -0.910 -2.208 6.954 1.00 0.00 C ATOM 997 O GLU A 66 -0.255 -1.188 7.179 1.00 0.00 O ATOM 998 CB GLU A 66 -1.965 -2.702 9.175 1.00 0.00 C ATOM 999 CG GLU A 66 -2.153 -3.696 10.309 1.00 0.00 C ATOM 1000 CD GLU A 66 -2.303 -3.027 11.656 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -1.303 -2.469 12.157 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -3.408 -3.078 12.236 1.00 0.00 O ATOM 0 H GLU A 66 0.474 -3.167 9.397 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.618 -4.108 7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.500 -1.797 9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.941 -2.415 8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.035 -4.304 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.299 -4.373 10.338 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.468 -2.466 5.779 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.368 -1.535 4.667 1.00 0.00 C ATOM 1011 C VAL A 67 -2.290 -0.346 4.896 1.00 0.00 C ATOM 1012 O VAL A 67 -3.518 -0.476 4.871 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.717 -2.207 3.320 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.609 -1.211 2.175 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.816 -3.404 3.070 1.00 0.00 C ATOM 0 H VAL A 67 -1.995 -3.314 5.573 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.333 -1.197 4.617 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.748 -2.556 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.859 -1.707 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.300 -0.385 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.590 -0.827 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.078 -3.863 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.224 -3.077 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.947 -4.131 3.871 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.691 0.803 5.141 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.441 2.015 5.402 1.00 0.00 C ATOM 1027 C LYS A 68 -2.464 2.893 4.161 1.00 0.00 C ATOM 1028 O LYS A 68 -1.455 3.495 3.788 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.831 2.754 6.593 1.00 0.00 C ATOM 1030 CG LYS A 68 -1.793 1.907 7.851 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.033 2.586 8.977 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.048 1.727 10.232 1.00 0.00 C ATOM 1033 NZ LYS A 68 -0.378 2.389 11.381 1.00 0.00 N ATOM 0 H LYS A 68 -0.678 0.922 5.165 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.471 1.759 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.818 3.068 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.406 3.659 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.812 1.698 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.327 0.948 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.004 2.769 8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.480 3.557 9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.080 1.498 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.554 0.778 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.324 1.726 12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.582 2.676 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.923 3.229 11.664 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.611 2.931 3.507 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.766 3.690 2.280 1.00 0.00 C ATOM 1049 C VAL A 69 -4.262 5.098 2.583 1.00 0.00 C ATOM 1050 O VAL A 69 -5.150 5.285 3.420 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.763 3.003 1.317 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.843 3.743 -0.009 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.385 1.547 1.095 1.00 0.00 C ATOM 0 H VAL A 69 -4.454 2.441 3.808 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.788 3.738 1.802 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.749 3.034 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.551 3.238 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.176 4.766 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.859 3.756 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.100 1.085 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.386 1.492 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.397 1.018 2.048 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.672 6.084 1.923 1.00 0.00 N ATOM 1064 CA GLU A 70 -4.169 7.446 1.992 1.00 0.00 C ATOM 1065 C GLU A 70 -5.430 7.560 1.146 1.00 0.00 C ATOM 1066 O GLU A 70 -5.405 7.254 -0.048 1.00 0.00 O ATOM 1067 CB GLU A 70 -3.108 8.434 1.502 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.931 8.591 2.451 1.00 0.00 C ATOM 1069 CD GLU A 70 -2.316 9.272 3.751 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -2.389 10.522 3.772 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -2.539 8.570 4.758 1.00 0.00 O ATOM 0 H GLU A 70 -2.848 5.964 1.334 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.402 7.691 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.738 8.104 0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.574 9.408 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.512 7.609 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.148 9.169 1.960 1.00 0.00 H new ATOM 1078 N PRO A 71 -6.550 7.972 1.758 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.832 8.093 1.063 1.00 0.00 C ATOM 1080 C PRO A 71 -7.741 9.009 -0.149 1.00 0.00 C ATOM 1081 O PRO A 71 -7.054 10.030 -0.121 1.00 0.00 O ATOM 1082 CB PRO A 71 -8.767 8.685 2.120 1.00 0.00 C ATOM 1083 CG PRO A 71 -8.137 8.336 3.421 1.00 0.00 C ATOM 1084 CD PRO A 71 -6.656 8.353 3.174 1.00 0.00 C ATOM 0 HA PRO A 71 -8.176 7.135 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.863 9.765 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.770 8.266 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.413 9.053 4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.465 7.355 3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.228 9.338 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.131 7.650 3.821 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.448 8.639 -1.203 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.411 9.394 -2.441 1.00 0.00 C ATOM 1094 C ILE A 72 -9.362 10.580 -2.344 1.00 0.00 C ATOM 1095 O ILE A 72 -10.552 10.409 -2.108 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.826 8.514 -3.644 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -8.045 7.193 -3.647 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.612 9.264 -4.953 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -6.541 7.359 -3.741 1.00 0.00 C ATOM 0 H ILE A 72 -9.055 7.819 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.389 9.740 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.887 8.283 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.282 6.642 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.385 6.585 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.909 8.630 -5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.215 10.172 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.559 9.527 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.066 6.378 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.290 7.880 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.185 7.938 -2.889 1.00 0.00 H new ATOM 1111 N PRO A 73 -8.837 11.805 -2.482 1.00 0.00 N ATOM 1112 CA PRO A 73 -9.663 13.010 -2.493 1.00 0.00 C ATOM 1113 C PRO A 73 -10.568 13.050 -3.719 1.00 0.00 C ATOM 1114 O PRO A 73 -10.190 12.557 -4.787 1.00 0.00 O ATOM 1115 CB PRO A 73 -8.644 14.159 -2.536 1.00 0.00 C ATOM 1116 CG PRO A 73 -7.341 13.545 -2.152 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.410 12.119 -2.616 1.00 0.00 C ATOM 0 HA PRO A 73 -10.327 13.063 -1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.592 14.601 -3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.921 14.956 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.508 14.069 -2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.186 13.599 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.066 12.011 -3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.792 11.463 -2.003 1.00 0.00 H new ATOM 1125 N ASN A 74 -11.766 13.612 -3.545 1.00 0.00 N ATOM 1126 CA ASN A 74 -12.754 13.771 -4.626 1.00 0.00 C ATOM 1127 C ASN A 74 -13.470 12.457 -4.949 1.00 0.00 C ATOM 1128 O ASN A 74 -14.679 12.443 -5.175 1.00 0.00 O ATOM 1129 CB ASN A 74 -12.108 14.338 -5.903 1.00 0.00 C ATOM 1130 CG ASN A 74 -11.513 15.720 -5.707 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -12.015 16.521 -4.916 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -10.433 16.005 -6.418 1.00 0.00 N ATOM 0 H ASN A 74 -12.085 13.973 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.495 14.482 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.326 13.657 -6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.857 14.380 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.985 16.916 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.049 15.313 -7.062 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.726 11.360 -4.973 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.283 10.059 -5.331 1.00 0.00 C ATOM 1141 C ILE A 75 -13.502 9.210 -4.076 1.00 0.00 C ATOM 1142 O ILE A 75 -12.885 9.455 -3.044 1.00 0.00 O ATOM 1143 CB ILE A 75 -12.348 9.311 -6.312 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.943 10.233 -7.464 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -13.019 8.058 -6.859 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -11.070 9.563 -8.500 1.00 0.00 C ATOM 0 H ILE A 75 -11.731 11.343 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.242 10.226 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.455 9.010 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.843 10.610 -7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.414 11.095 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.340 7.552 -7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -13.267 7.389 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.931 8.335 -7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.823 10.278 -9.285 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.152 9.210 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.604 8.717 -8.934 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.392 8.234 -4.158 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.635 7.329 -3.043 1.00 0.00 C ATOM 1160 C LYS A 76 -13.755 6.088 -3.183 1.00 0.00 C ATOM 1161 O LYS A 76 -13.475 5.651 -4.293 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.115 6.930 -3.012 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.486 6.007 -1.863 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.935 5.564 -1.956 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.309 4.617 -0.827 1.00 0.00 C ATOM 1166 NZ LYS A 76 -17.450 3.401 -0.809 1.00 0.00 N ATOM 0 H LYS A 76 -14.959 8.047 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.387 7.833 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.722 7.833 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.368 6.441 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.835 5.133 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.320 6.519 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.585 6.438 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.104 5.072 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.220 5.137 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.353 4.322 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.842 2.709 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.420 2.983 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.487 3.661 -0.515 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.303 5.527 -2.071 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.503 4.310 -2.121 1.00 0.00 C ATOM 1182 C ILE A 77 -13.400 3.086 -1.922 1.00 0.00 C ATOM 1183 O ILE A 77 -14.391 3.144 -1.188 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.363 4.325 -1.068 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.376 3.178 -1.321 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.926 4.238 0.343 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -9.175 3.196 -0.400 1.00 0.00 C ATOM 0 H ILE A 77 -13.473 5.889 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.036 4.257 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.828 5.270 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.898 2.228 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.032 3.228 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.107 4.250 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.583 5.089 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.492 3.313 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.522 2.356 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.629 4.130 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.509 3.115 0.635 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.076 1.997 -2.607 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.867 0.775 -2.515 1.00 0.00 C ATOM 1201 C VAL A 78 -13.068 -0.357 -1.877 1.00 0.00 C ATOM 1202 O VAL A 78 -13.316 -0.741 -0.734 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.357 0.306 -3.905 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.254 -0.918 -3.780 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.081 1.425 -4.629 1.00 0.00 C ATOM 0 H VAL A 78 -12.272 1.934 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.728 1.013 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.482 0.029 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.586 -1.229 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.698 -1.730 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.121 -0.672 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.416 1.071 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.943 1.740 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.405 2.269 -4.763 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.089 -0.868 -2.609 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.405 -2.089 -2.207 1.00 0.00 C ATOM 1217 C GLU A 79 -9.933 -1.827 -1.919 1.00 0.00 C ATOM 1218 O GLU A 79 -9.325 -0.947 -2.527 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.551 -3.151 -3.305 1.00 0.00 C ATOM 1220 CG GLU A 79 -10.997 -4.517 -2.927 1.00 0.00 C ATOM 1221 CD GLU A 79 -11.603 -5.053 -1.646 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -12.643 -5.745 -1.713 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -11.048 -4.779 -0.567 1.00 0.00 O ATOM 0 H GLU A 79 -11.751 -0.459 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.865 -2.454 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.607 -3.256 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.043 -2.801 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.188 -5.220 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.915 -4.448 -2.813 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.375 -2.595 -0.989 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.971 -2.484 -0.624 1.00 0.00 C ATOM 1232 C ILE A 80 -7.328 -3.868 -0.593 1.00 0.00 C ATOM 1233 O ILE A 80 -7.597 -4.673 0.306 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.786 -1.804 0.753 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.380 -0.390 0.742 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.311 -1.761 1.134 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.306 0.316 2.080 1.00 0.00 C ATOM 0 H ILE A 80 -9.884 -3.310 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.486 -1.863 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.318 -2.393 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.856 0.208 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.423 -0.447 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.200 -1.279 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.919 -2.777 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.758 -1.196 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.746 1.310 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.855 -0.259 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.264 0.406 2.387 1.00 0.00 H new ATOM 1249 N SER A 81 -6.501 -4.151 -1.587 1.00 0.00 N ATOM 1250 CA SER A 81 -5.797 -5.419 -1.660 1.00 0.00 C ATOM 1251 C SER A 81 -4.348 -5.191 -2.088 1.00 0.00 C ATOM 1252 O SER A 81 -4.089 -4.551 -3.103 1.00 0.00 O ATOM 1253 CB SER A 81 -6.501 -6.362 -2.642 1.00 0.00 C ATOM 1254 OG SER A 81 -5.897 -7.646 -2.649 1.00 0.00 O ATOM 0 H SER A 81 -6.301 -3.514 -2.358 1.00 0.00 H new ATOM 0 HA SER A 81 -5.802 -5.881 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.552 -6.454 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.467 -5.937 -3.645 1.00 0.00 H new ATOM 0 HG SER A 81 -6.368 -8.226 -3.283 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.380 -5.705 -1.317 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.650 -6.459 -0.096 1.00 0.00 C ATOM 1262 C PRO A 82 -3.923 -5.558 1.101 1.00 0.00 C ATOM 1263 O PRO A 82 -3.855 -4.334 1.003 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.362 -7.253 0.101 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.293 -6.390 -0.482 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.936 -5.593 -1.589 1.00 0.00 C ATOM 0 HA PRO A 82 -4.544 -7.077 -0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.178 -7.453 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.411 -8.218 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.872 -5.730 0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.473 -6.996 -0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.607 -4.554 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.682 -5.995 -2.570 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.226 -6.173 2.231 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.640 -5.433 3.409 1.00 0.00 C ATOM 1276 C ARG A 83 -3.590 -5.540 4.506 1.00 0.00 C ATOM 1277 O ARG A 83 -3.207 -4.543 5.115 1.00 0.00 O ATOM 1278 CB ARG A 83 -5.980 -5.977 3.886 1.00 0.00 C ATOM 1279 CG ARG A 83 -6.854 -4.952 4.580 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.311 -5.365 4.506 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.738 -5.572 3.118 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.720 -6.395 2.753 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.362 -7.123 3.660 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.059 -6.490 1.475 1.00 0.00 N ATOM 0 H ARG A 83 -4.193 -7.185 2.357 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.747 -4.378 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.521 -6.380 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.800 -6.807 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.550 -4.851 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.722 -3.976 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.460 -6.283 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.932 -4.598 4.969 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.253 -5.053 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.104 -7.054 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.113 -7.751 3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.568 -5.934 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.810 -7.119 1.192 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.131 -6.755 4.754 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.059 -6.989 5.706 1.00 0.00 C ATOM 1300 C VAL A 84 -0.941 -7.766 5.021 1.00 0.00 C ATOM 1301 O VAL A 84 -1.168 -8.857 4.498 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.553 -7.765 6.946 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.422 -7.968 7.940 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.718 -7.043 7.608 1.00 0.00 C ATOM 0 H VAL A 84 -3.487 -7.599 4.306 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.691 -6.022 6.049 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.900 -8.744 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.793 -8.517 8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.620 -8.535 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.041 -6.998 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.049 -7.609 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.399 -6.049 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.541 -6.954 6.899 1.00 0.00 H new ATOM 1314 N VAL A 85 0.253 -7.195 5.005 1.00 0.00 N ATOM 1315 CA VAL A 85 1.371 -7.796 4.292 1.00 0.00 C ATOM 1316 C VAL A 85 2.441 -8.297 5.250 1.00 0.00 C ATOM 1317 O VAL A 85 2.805 -7.614 6.209 1.00 0.00 O ATOM 1318 CB VAL A 85 2.008 -6.808 3.287 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.053 -6.528 2.139 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.408 -5.509 3.974 1.00 0.00 C ATOM 0 H VAL A 85 0.474 -6.318 5.476 1.00 0.00 H new ATOM 0 HA VAL A 85 0.963 -8.643 3.741 1.00 0.00 H new ATOM 0 HB VAL A 85 2.910 -7.270 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.517 -5.831 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.823 -7.459 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.133 -6.092 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.853 -4.833 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.525 -5.041 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.132 -5.721 4.760 1.00 0.00 H new ATOM 1330 N THR A 86 2.937 -9.493 4.991 1.00 0.00 N ATOM 1331 CA THR A 86 4.009 -10.054 5.788 1.00 0.00 C ATOM 1332 C THR A 86 5.349 -9.524 5.292 1.00 0.00 C ATOM 1333 O THR A 86 5.785 -9.851 4.185 1.00 0.00 O ATOM 1334 CB THR A 86 4.012 -11.590 5.714 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.664 -12.082 5.732 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.789 -12.183 6.879 1.00 0.00 C ATOM 0 H THR A 86 2.613 -10.094 4.233 1.00 0.00 H new ATOM 0 HA THR A 86 3.850 -9.758 6.825 1.00 0.00 H new ATOM 0 HB THR A 86 4.496 -11.889 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.186 -11.699 6.497 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.779 -13.271 6.807 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.819 -11.827 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.327 -11.877 7.818 1.00 0.00 H new ATOM 1344 N LEU A 87 5.981 -8.686 6.091 1.00 0.00 N ATOM 1345 CA LEU A 87 7.252 -8.093 5.715 1.00 0.00 C ATOM 1346 C LEU A 87 8.372 -8.650 6.577 1.00 0.00 C ATOM 1347 O LEU A 87 8.266 -8.675 7.805 1.00 0.00 O ATOM 1348 CB LEU A 87 7.198 -6.570 5.851 1.00 0.00 C ATOM 1349 CG LEU A 87 6.162 -5.870 4.968 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.176 -4.371 5.221 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.423 -6.163 3.499 1.00 0.00 C ATOM 0 H LEU A 87 5.635 -8.399 7.007 1.00 0.00 H new ATOM 0 HA LEU A 87 7.449 -8.344 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.991 -6.322 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.183 -6.166 5.617 1.00 0.00 H new ATOM 0 HG LEU A 87 5.176 -6.256 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.434 -3.888 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.940 -4.176 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.164 -3.973 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.676 -5.656 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.416 -5.806 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.364 -7.238 3.326 1.00 0.00 H new ATOM 1363 N GLN A 88 9.432 -9.112 5.932 1.00 0.00 N ATOM 1364 CA GLN A 88 10.592 -9.609 6.646 1.00 0.00 C ATOM 1365 C GLN A 88 11.612 -8.493 6.818 1.00 0.00 C ATOM 1366 O GLN A 88 12.258 -8.070 5.853 1.00 0.00 O ATOM 1367 CB GLN A 88 11.230 -10.785 5.906 1.00 0.00 C ATOM 1368 CG GLN A 88 12.345 -11.450 6.694 1.00 0.00 C ATOM 1369 CD GLN A 88 13.044 -12.541 5.915 1.00 0.00 C ATOM 1370 OE1 GLN A 88 14.033 -12.289 5.235 1.00 0.00 O ATOM 1371 NE2 GLN A 88 12.533 -13.757 6.000 1.00 0.00 N ATOM 0 H GLN A 88 9.511 -9.152 4.916 1.00 0.00 H new ATOM 0 HA GLN A 88 10.266 -9.957 7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.462 -11.524 5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.626 -10.435 4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.075 -10.696 6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.934 -11.871 7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.709 -13.925 6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.963 -14.528 5.489 1.00 0.00 H new ATOM 1380 N LEU A 89 11.730 -8.003 8.038 1.00 0.00 N ATOM 1381 CA LEU A 89 12.681 -6.950 8.341 1.00 0.00 C ATOM 1382 C LEU A 89 13.994 -7.528 8.827 1.00 0.00 C ATOM 1383 O LEU A 89 14.038 -8.280 9.800 1.00 0.00 O ATOM 1384 CB LEU A 89 12.119 -5.997 9.395 1.00 0.00 C ATOM 1385 CG LEU A 89 10.943 -5.142 8.936 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.455 -4.265 10.075 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.339 -4.290 7.744 1.00 0.00 C ATOM 0 H LEU A 89 11.178 -8.318 8.836 1.00 0.00 H new ATOM 0 HA LEU A 89 12.861 -6.395 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.807 -6.581 10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.919 -5.337 9.728 1.00 0.00 H new ATOM 0 HG LEU A 89 10.131 -5.803 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.615 -3.660 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.136 -4.893 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.263 -3.612 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.488 -3.686 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.165 -3.636 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.649 -4.936 6.922 1.00 0.00 H new ATOM 1399 N GLU A 90 15.058 -7.170 8.148 1.00 0.00 N ATOM 1400 CA GLU A 90 16.391 -7.580 8.544 1.00 0.00 C ATOM 1401 C GLU A 90 17.072 -6.431 9.272 1.00 0.00 C ATOM 1402 O GLU A 90 16.638 -5.282 9.176 1.00 0.00 O ATOM 1403 CB GLU A 90 17.223 -7.990 7.324 1.00 0.00 C ATOM 1404 CG GLU A 90 16.596 -9.103 6.499 1.00 0.00 C ATOM 1405 CD GLU A 90 17.529 -9.623 5.424 1.00 0.00 C ATOM 1406 OE1 GLU A 90 17.732 -8.922 4.410 1.00 0.00 O ATOM 1407 OE2 GLU A 90 18.071 -10.737 5.595 1.00 0.00 O ATOM 0 H GLU A 90 15.029 -6.590 7.310 1.00 0.00 H new ATOM 0 HA GLU A 90 16.311 -8.443 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.371 -7.118 6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.209 -8.311 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.312 -9.924 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.681 -8.736 6.035 1.00 0.00 H new ATOM 1414 N HIS A 91 18.121 -6.741 10.007 1.00 0.00 N ATOM 1415 CA HIS A 91 18.856 -5.725 10.741 1.00 0.00 C ATOM 1416 C HIS A 91 19.854 -5.019 9.838 1.00 0.00 C ATOM 1417 O HIS A 91 20.772 -5.642 9.305 1.00 0.00 O ATOM 1418 CB HIS A 91 19.587 -6.338 11.935 1.00 0.00 C ATOM 1419 CG HIS A 91 18.692 -6.729 13.070 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.570 -5.977 14.214 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.902 -7.809 13.248 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.745 -6.579 15.048 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.324 -7.696 14.487 1.00 0.00 N ATOM 0 H HIS A 91 18.485 -7.688 10.113 1.00 0.00 H new ATOM 0 HA HIS A 91 18.134 -4.995 11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.134 -7.219 11.598 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.326 -5.624 12.299 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.752 -8.614 12.544 1.00 0.00 H new ATOM 0 HE1 HIS A 91 17.462 -6.218 16.026 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.677 -8.364 14.905 1.00 0.00 H new ATOM 1432 N HIS A 92 19.668 -3.720 9.667 1.00 0.00 N ATOM 1433 CA HIS A 92 20.607 -2.904 8.913 1.00 0.00 C ATOM 1434 C HIS A 92 21.676 -2.385 9.865 1.00 0.00 C ATOM 1435 O HIS A 92 21.505 -1.344 10.500 1.00 0.00 O ATOM 1436 CB HIS A 92 19.879 -1.739 8.216 1.00 0.00 C ATOM 1437 CG HIS A 92 20.760 -0.842 7.384 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.845 -0.103 7.721 1.00 0.00 N flip ATOM 1439 CD2 HIS A 92 20.545 -0.598 6.042 1.00 0.00 C flip ATOM 1440 CE1 HIS A 92 22.258 0.561 6.596 1.00 0.00 C flip ATOM 1441 NE2 HIS A 92 21.458 0.244 5.597 1.00 0.00 N flip ATOM 0 H HIS A 92 18.871 -3.206 10.042 1.00 0.00 H new ATOM 0 HA HIS A 92 21.075 -3.507 8.135 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.098 -2.150 7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.384 -1.134 8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.752 -1.029 5.449 1.00 0.00 H new ATOM 0 HE1 HIS A 92 23.101 1.234 6.537 1.00 0.00 H new ATOM 0 HE2 HIS A 92 21.532 0.591 4.641 1.00 0.00 H new ATOM 1450 N HIS A 93 22.763 -3.126 9.984 1.00 0.00 N ATOM 1451 CA HIS A 93 23.837 -2.752 10.889 1.00 0.00 C ATOM 1452 C HIS A 93 24.953 -2.043 10.148 1.00 0.00 C ATOM 1453 O HIS A 93 25.496 -2.565 9.173 1.00 0.00 O ATOM 1454 CB HIS A 93 24.417 -3.972 11.610 1.00 0.00 C ATOM 1455 CG HIS A 93 23.606 -4.448 12.775 1.00 0.00 C ATOM 1456 ND1 HIS A 93 22.805 -5.529 12.916 1.00 0.00 N flip ATOM 1457 CD2 HIS A 93 23.587 -3.801 13.990 1.00 0.00 C flip ATOM 1458 CE1 HIS A 93 22.326 -5.518 14.203 1.00 0.00 C flip ATOM 1459 NE2 HIS A 93 22.814 -4.464 14.829 1.00 0.00 N flip ATOM 0 H HIS A 93 22.926 -3.990 9.466 1.00 0.00 H new ATOM 0 HA HIS A 93 23.404 -2.077 11.627 1.00 0.00 H new ATOM 0 HB2 HIS A 93 24.516 -4.788 10.894 1.00 0.00 H new ATOM 0 HB3 HIS A 93 25.421 -3.730 11.957 1.00 0.00 H new ATOM 0 HD2 HIS A 93 24.122 -2.892 14.221 1.00 0.00 H new ATOM 0 HE1 HIS A 93 21.659 -6.251 14.632 1.00 0.00 H new ATOM 0 HE2 HIS A 93 22.626 -4.205 15.798 1.00 0.00 H new ATOM 1468 N HIS A 94 25.276 -0.849 10.599 1.00 0.00 N ATOM 1469 CA HIS A 94 26.454 -0.157 10.120 1.00 0.00 C ATOM 1470 C HIS A 94 27.525 -0.241 11.200 1.00 0.00 C ATOM 1471 O HIS A 94 27.293 0.168 12.337 1.00 0.00 O ATOM 1472 CB HIS A 94 26.130 1.301 9.776 1.00 0.00 C ATOM 1473 CG HIS A 94 27.238 2.010 9.056 1.00 0.00 C ATOM 1474 ND1 HIS A 94 27.573 3.321 9.294 1.00 0.00 N ATOM 1475 CD2 HIS A 94 28.086 1.579 8.092 1.00 0.00 C ATOM 1476 CE1 HIS A 94 28.578 3.667 8.513 1.00 0.00 C ATOM 1477 NE2 HIS A 94 28.912 2.628 7.773 1.00 0.00 N ATOM 0 H HIS A 94 24.738 -0.337 11.298 1.00 0.00 H new ATOM 0 HA HIS A 94 26.815 -0.626 9.205 1.00 0.00 H new ATOM 0 HB2 HIS A 94 25.232 1.329 9.159 1.00 0.00 H new ATOM 0 HB3 HIS A 94 25.902 1.840 10.696 1.00 0.00 H new ATOM 0 HD2 HIS A 94 28.108 0.592 7.655 1.00 0.00 H new ATOM 0 HE1 HIS A 94 29.049 4.639 8.484 1.00 0.00 H new ATOM 0 HE2 HIS A 94 29.659 2.607 7.079 1.00 0.00 H new ATOM 1486 N HIS A 95 28.676 -0.808 10.845 1.00 0.00 N ATOM 1487 CA HIS A 95 29.750 -1.050 11.805 1.00 0.00 C ATOM 1488 C HIS A 95 30.154 0.250 12.488 1.00 0.00 C ATOM 1489 O HIS A 95 29.976 0.405 13.697 1.00 0.00 O ATOM 1490 CB HIS A 95 30.960 -1.675 11.099 1.00 0.00 C ATOM 1491 CG HIS A 95 31.999 -2.232 12.028 1.00 0.00 C ATOM 1492 ND1 HIS A 95 32.192 -3.583 12.210 1.00 0.00 N ATOM 1493 CD2 HIS A 95 32.916 -1.617 12.817 1.00 0.00 C ATOM 1494 CE1 HIS A 95 33.175 -3.776 13.067 1.00 0.00 C ATOM 1495 NE2 HIS A 95 33.633 -2.600 13.450 1.00 0.00 N ATOM 0 H HIS A 95 28.889 -1.110 9.894 1.00 0.00 H new ATOM 0 HA HIS A 95 29.388 -1.744 12.564 1.00 0.00 H new ATOM 0 HB2 HIS A 95 30.611 -2.473 10.443 1.00 0.00 H new ATOM 0 HB3 HIS A 95 31.425 -0.921 10.464 1.00 0.00 H new ATOM 0 HD2 HIS A 95 33.055 -0.552 12.926 1.00 0.00 H new ATOM 0 HE1 HIS A 95 33.543 -4.735 13.399 1.00 0.00 H new ATOM 0 HE2 HIS A 95 34.396 -2.447 14.109 1.00 0.00 H new ATOM 1504 N HIS A 96 30.688 1.171 11.698 1.00 0.00 N ATOM 1505 CA HIS A 96 31.107 2.479 12.183 1.00 0.00 C ATOM 1506 C HIS A 96 31.729 3.259 11.036 1.00 0.00 C ATOM 1507 O HIS A 96 32.898 2.979 10.703 1.00 0.00 O ATOM 1508 CB HIS A 96 32.108 2.351 13.340 1.00 0.00 C ATOM 1509 CG HIS A 96 32.583 3.665 13.882 1.00 0.00 C ATOM 1510 ND1 HIS A 96 33.917 3.973 14.024 1.00 0.00 N ATOM 1511 CD2 HIS A 96 31.900 4.747 14.324 1.00 0.00 C ATOM 1512 CE1 HIS A 96 34.036 5.185 14.529 1.00 0.00 C ATOM 1513 NE2 HIS A 96 32.827 5.678 14.718 1.00 0.00 N ATOM 1514 OXT HIS A 96 31.040 4.125 10.464 1.00 0.00 O ATOM 0 H HIS A 96 30.843 1.032 10.700 1.00 0.00 H new ATOM 0 HA HIS A 96 30.232 3.009 12.561 1.00 0.00 H new ATOM 0 HB2 HIS A 96 31.645 1.783 14.147 1.00 0.00 H new ATOM 0 HB3 HIS A 96 32.970 1.777 13.000 1.00 0.00 H new ATOM 0 HD2 HIS A 96 30.826 4.857 14.360 1.00 0.00 H new ATOM 0 HE1 HIS A 96 34.965 5.689 14.750 1.00 0.00 H new ATOM 0 HE2 HIS A 96 32.616 6.602 15.096 1.00 0.00 H new TER 1523 HIS A 96