USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 736 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 27 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 82 HIS : no HD1:sc= -0.81 X(o=-0.9,f=-1) USER MOD Set 2.2: A 93 SER OG : rot 73:sc= -0.0877 USER MOD Set 3.1: A 38 ASN : amide:sc= -0.0259 X(o=-0.079,f=0.13) USER MOD Set 3.2: A 89 HIS : no HD1:sc= -0.0532 X(o=-0.079,f=0.13) USER MOD Set 4.1: A 63 ASN : amide:sc= 0 K(o=-0.15,f=-0.97) USER MOD Set 4.2: A 67 LYS NZ :NH3+ 155:sc= -0.153 (180deg=-0.706) USER MOD Set 5.1: A 53 LYS NZ :NH3+ -152:sc= 0.125! (180deg=-0.987) USER MOD Set 5.2: A 64 SER OG : rot 110:sc= 0.927 USER MOD Set 6.1: A 33 GLN : amide:sc= -1.83! C(o=-1.8!,f=-10!) USER MOD Set 6.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 24 SER OG : rot 150:sc= 0.205 USER MOD Set 7.2: A 52 SER OG : rot 167:sc= 0.211 USER MOD Single : A 7 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.1!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.29) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.956 X(o=-0.96,f=-0.89) USER MOD Single : A 28 SER OG : rot 101:sc= 1.29 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0149) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -155:sc= -2.65 (180deg=-5.5!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= -0.0306 (180deg=-0.23) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.47 K(o=-0.47,f=-4.4!) USER MOD Single : A 73 SER OG : rot -29:sc= 0.506 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -60:sc= -0.127 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 32:sc= 1.27 USER MOD Single : A 83 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 9:sc= -0.268 USER MOD Single : A 104 THR OG1 : rot 160:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N GLN A 7 -18.077 -5.067 -4.143 1.00 0.86 N ATOM 22 CA GLN A 7 -16.727 -4.544 -3.994 1.00 0.74 C ATOM 23 C GLN A 7 -15.718 -5.678 -3.910 1.00 0.69 C ATOM 24 O GLN A 7 -14.533 -5.480 -4.129 1.00 0.64 O ATOM 25 CB GLN A 7 -16.609 -3.672 -2.750 1.00 0.85 C ATOM 26 CG GLN A 7 -15.211 -3.118 -2.532 1.00 0.75 C ATOM 27 CD GLN A 7 -14.851 -2.002 -3.490 1.00 1.15 C ATOM 28 OE1 GLN A 7 -13.694 -1.853 -3.862 1.00 1.96 O ATOM 29 NE2 GLN A 7 -15.830 -1.200 -3.876 1.00 1.70 N ATOM 0 HA GLN A 7 -16.514 -3.935 -4.873 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -17.312 -2.843 -2.828 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -16.901 -4.256 -1.877 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.129 -2.750 -1.509 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -14.487 -3.926 -2.638 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -16.781 -1.359 -3.543 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -15.634 -0.423 -4.507 1.00 1.70 H new ATOM 38 N ASP A 8 -16.193 -6.866 -3.595 1.00 0.78 N ATOM 39 CA ASP A 8 -15.321 -8.024 -3.488 1.00 0.84 C ATOM 40 C ASP A 8 -14.602 -8.287 -4.806 1.00 0.77 C ATOM 41 O ASP A 8 -13.475 -8.781 -4.822 1.00 0.84 O ATOM 42 CB ASP A 8 -16.115 -9.252 -3.052 1.00 1.01 C ATOM 43 CG ASP A 8 -17.089 -9.746 -4.105 1.00 1.83 C ATOM 44 OD1 ASP A 8 -17.007 -10.937 -4.481 1.00 1.78 O ATOM 45 OD2 ASP A 8 -17.938 -8.948 -4.563 1.00 2.81 O ATOM 0 H ASP A 8 -17.177 -7.058 -3.408 1.00 0.78 H new ATOM 0 HA ASP A 8 -14.567 -7.814 -2.729 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -15.421 -10.055 -2.805 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -16.665 -9.015 -2.142 1.00 1.01 H new ATOM 50 N ASN A 9 -15.256 -7.965 -5.910 1.00 0.72 N ATOM 51 CA ASN A 9 -14.608 -8.005 -7.213 1.00 0.70 C ATOM 52 C ASN A 9 -13.929 -6.678 -7.507 1.00 0.55 C ATOM 53 O ASN A 9 -12.857 -6.633 -8.112 1.00 0.53 O ATOM 54 CB ASN A 9 -15.617 -8.314 -8.318 1.00 0.80 C ATOM 55 CG ASN A 9 -16.157 -9.726 -8.239 1.00 1.28 C ATOM 56 OD1 ASN A 9 -17.185 -9.977 -7.611 1.00 2.04 O ATOM 57 ND2 ASN A 9 -15.468 -10.659 -8.876 1.00 1.78 N ATOM 0 H ASN A 9 -16.233 -7.673 -5.931 1.00 0.72 H new ATOM 0 HA ASN A 9 -13.861 -8.798 -7.188 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.446 -7.609 -8.255 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -15.144 -8.164 -9.288 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -15.784 -11.628 -8.858 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -14.620 -10.409 -9.385 1.00 1.78 H new ATOM 64 N ALA A 10 -14.558 -5.603 -7.052 1.00 0.51 N ATOM 65 CA ALA A 10 -14.088 -4.252 -7.340 1.00 0.45 C ATOM 66 C ALA A 10 -12.743 -3.990 -6.712 1.00 0.38 C ATOM 67 O ALA A 10 -11.884 -3.386 -7.334 1.00 0.35 O ATOM 68 CB ALA A 10 -15.072 -3.221 -6.839 1.00 0.49 C ATOM 0 H ALA A 10 -15.400 -5.640 -6.478 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.995 -4.172 -8.423 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.699 -2.222 -7.065 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -16.035 -3.369 -7.329 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.193 -3.327 -5.761 1.00 0.49 H new ATOM 74 N ARG A 11 -12.574 -4.444 -5.476 1.00 0.41 N ATOM 75 CA ARG A 11 -11.334 -4.257 -4.739 1.00 0.44 C ATOM 76 C ARG A 11 -10.144 -4.651 -5.584 1.00 0.35 C ATOM 77 O ARG A 11 -9.120 -3.982 -5.593 1.00 0.41 O ATOM 78 CB ARG A 11 -11.345 -5.071 -3.445 1.00 0.54 C ATOM 79 CG ARG A 11 -11.668 -6.553 -3.635 1.00 1.44 C ATOM 80 CD ARG A 11 -10.424 -7.408 -3.866 1.00 1.95 C ATOM 81 NE ARG A 11 -10.754 -8.810 -4.123 1.00 2.91 N ATOM 82 CZ ARG A 11 -9.845 -9.773 -4.280 1.00 3.53 C ATOM 83 NH1 ARG A 11 -8.552 -9.493 -4.188 1.00 3.46 N ATOM 84 NH2 ARG A 11 -10.229 -11.021 -4.519 1.00 4.41 N ATOM 0 H ARG A 11 -13.292 -4.951 -4.959 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.251 -3.200 -4.488 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -10.370 -4.983 -2.966 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -12.076 -4.637 -2.763 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.197 -6.920 -2.755 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -12.343 -6.667 -4.483 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -9.863 -7.008 -4.711 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -9.775 -7.344 -2.993 1.00 1.95 H new ATOM 0 HE ARG A 11 -11.739 -9.066 -4.186 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -8.249 -8.538 -3.996 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -7.860 -10.233 -4.309 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -11.222 -11.246 -4.583 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -9.531 -11.755 -4.639 1.00 4.41 H new ATOM 98 N LYS A 12 -10.309 -5.729 -6.318 1.00 0.28 N ATOM 99 CA LYS A 12 -9.254 -6.242 -7.148 1.00 0.27 C ATOM 100 C LYS A 12 -8.843 -5.203 -8.161 1.00 0.23 C ATOM 101 O LYS A 12 -7.671 -5.038 -8.434 1.00 0.37 O ATOM 102 CB LYS A 12 -9.715 -7.502 -7.871 1.00 0.37 C ATOM 103 CG LYS A 12 -8.624 -8.168 -8.673 1.00 0.49 C ATOM 104 CD LYS A 12 -7.550 -8.742 -7.773 1.00 0.94 C ATOM 105 CE LYS A 12 -6.324 -9.104 -8.577 1.00 0.88 C ATOM 106 NZ LYS A 12 -5.224 -9.635 -7.729 1.00 1.56 N ATOM 0 H LYS A 12 -11.174 -6.268 -6.353 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.402 -6.486 -6.514 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -10.101 -8.211 -7.139 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.541 -7.249 -8.536 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -9.052 -8.963 -9.284 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -8.180 -7.445 -9.357 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -7.286 -8.017 -7.003 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -7.930 -9.626 -7.261 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -6.592 -9.848 -9.327 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -5.972 -8.223 -9.114 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -4.326 -9.582 -8.251 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -5.152 -9.069 -6.859 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -5.423 -10.626 -7.482 1.00 1.56 H new ATOM 120 N SER A 13 -9.821 -4.506 -8.697 1.00 0.21 N ATOM 121 CA SER A 13 -9.585 -3.524 -9.730 1.00 0.24 C ATOM 122 C SER A 13 -9.264 -2.143 -9.148 1.00 0.24 C ATOM 123 O SER A 13 -8.287 -1.502 -9.545 1.00 0.28 O ATOM 124 CB SER A 13 -10.823 -3.462 -10.620 1.00 0.30 C ATOM 125 OG SER A 13 -11.050 -4.707 -11.256 1.00 0.90 O ATOM 0 H SER A 13 -10.800 -4.604 -8.429 1.00 0.21 H new ATOM 0 HA SER A 13 -8.713 -3.822 -10.313 1.00 0.24 H new ATOM 0 HB2 SER A 13 -11.693 -3.191 -10.022 1.00 0.30 H new ATOM 0 HB3 SER A 13 -10.697 -2.683 -11.372 1.00 0.30 H new ATOM 0 HG SER A 13 -11.849 -4.645 -11.820 1.00 0.90 H new ATOM 131 N ARG A 14 -10.089 -1.697 -8.202 1.00 0.25 N ATOM 132 CA ARG A 14 -9.968 -0.357 -7.629 1.00 0.30 C ATOM 133 C ARG A 14 -8.662 -0.194 -6.879 1.00 0.24 C ATOM 134 O ARG A 14 -8.064 0.880 -6.886 1.00 0.30 O ATOM 135 CB ARG A 14 -11.150 -0.052 -6.693 1.00 0.37 C ATOM 136 CG ARG A 14 -11.256 -1.012 -5.516 1.00 0.36 C ATOM 137 CD ARG A 14 -11.004 -0.349 -4.166 1.00 0.52 C ATOM 138 NE ARG A 14 -11.669 0.950 -4.029 1.00 1.14 N ATOM 139 CZ ARG A 14 -12.448 1.291 -2.996 1.00 1.41 C ATOM 140 NH1 ARG A 14 -12.719 0.412 -2.037 1.00 1.66 N ATOM 141 NH2 ARG A 14 -12.963 2.512 -2.933 1.00 2.05 N ATOM 0 H ARG A 14 -10.854 -2.249 -7.814 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.981 0.353 -8.456 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -11.050 0.965 -6.314 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -12.076 -0.089 -7.266 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.249 -1.461 -5.512 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.540 -1.823 -5.653 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.349 -1.012 -3.373 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -9.931 -0.217 -4.028 1.00 0.52 H new ATOM 0 HE ARG A 14 -11.529 1.638 -4.769 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -12.332 -0.531 -2.085 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -13.314 0.680 -1.253 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -12.765 3.188 -3.671 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -13.557 2.775 -2.147 1.00 2.05 H new ATOM 155 N ILE A 15 -8.213 -1.255 -6.238 1.00 0.17 N ATOM 156 CA ILE A 15 -6.976 -1.190 -5.511 1.00 0.15 C ATOM 157 C ILE A 15 -5.826 -1.338 -6.476 1.00 0.13 C ATOM 158 O ILE A 15 -4.863 -0.589 -6.417 1.00 0.13 O ATOM 159 CB ILE A 15 -6.869 -2.301 -4.472 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.035 -2.243 -3.494 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.564 -2.166 -3.721 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.114 -3.460 -2.615 1.00 0.34 C ATOM 0 H ILE A 15 -8.685 -2.159 -6.210 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.944 -0.228 -4.999 1.00 0.15 H new ATOM 0 HB ILE A 15 -6.900 -3.262 -4.986 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -7.937 -1.355 -2.870 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -8.966 -2.140 -4.051 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.488 -2.960 -2.978 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.732 -2.242 -4.421 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.530 -1.198 -3.221 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -8.963 -3.365 -1.938 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.241 -4.348 -3.234 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.196 -3.550 -2.035 1.00 0.34 H new ATOM 174 N GLN A 16 -5.970 -2.312 -7.369 1.00 0.15 N ATOM 175 CA GLN A 16 -4.935 -2.685 -8.331 1.00 0.20 C ATOM 176 C GLN A 16 -4.316 -1.482 -9.016 1.00 0.21 C ATOM 177 O GLN A 16 -3.089 -1.374 -9.089 1.00 0.24 O ATOM 178 CB GLN A 16 -5.531 -3.582 -9.388 1.00 0.25 C ATOM 179 CG GLN A 16 -4.697 -4.805 -9.701 1.00 0.40 C ATOM 180 CD GLN A 16 -5.057 -5.433 -11.031 1.00 1.08 C ATOM 181 OE1 GLN A 16 -6.199 -5.352 -11.482 1.00 1.85 O ATOM 182 NE2 GLN A 16 -4.082 -6.054 -11.671 1.00 1.71 N ATOM 0 H GLN A 16 -6.819 -2.872 -7.447 1.00 0.15 H new ATOM 0 HA GLN A 16 -4.151 -3.197 -7.774 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.520 -3.904 -9.061 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.669 -3.006 -10.303 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.643 -4.529 -9.708 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.828 -5.542 -8.909 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -3.149 -6.098 -11.261 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -4.262 -6.490 -12.575 1.00 1.71 H new ATOM 191 N SER A 17 -5.166 -0.578 -9.507 1.00 0.23 N ATOM 192 CA SER A 17 -4.696 0.579 -10.254 1.00 0.28 C ATOM 193 C SER A 17 -3.634 1.322 -9.457 1.00 0.25 C ATOM 194 O SER A 17 -2.539 1.585 -9.953 1.00 0.34 O ATOM 195 CB SER A 17 -5.870 1.513 -10.578 1.00 0.33 C ATOM 196 OG SER A 17 -5.465 2.599 -11.399 1.00 1.04 O ATOM 0 H SER A 17 -6.179 -0.629 -9.399 1.00 0.23 H new ATOM 0 HA SER A 17 -4.254 0.237 -11.190 1.00 0.28 H new ATOM 0 HB2 SER A 17 -6.656 0.949 -11.081 1.00 0.33 H new ATOM 0 HB3 SER A 17 -6.297 1.897 -9.651 1.00 0.33 H new ATOM 0 HG SER A 17 -6.237 3.172 -11.587 1.00 1.04 H new ATOM 202 N GLU A 18 -3.956 1.624 -8.211 1.00 0.19 N ATOM 203 CA GLU A 18 -3.060 2.370 -7.354 1.00 0.20 C ATOM 204 C GLU A 18 -2.068 1.455 -6.642 1.00 0.16 C ATOM 205 O GLU A 18 -0.989 1.888 -6.279 1.00 0.17 O ATOM 206 CB GLU A 18 -3.862 3.170 -6.349 1.00 0.28 C ATOM 207 CG GLU A 18 -4.995 3.943 -6.990 1.00 0.37 C ATOM 208 CD GLU A 18 -4.557 5.084 -7.883 1.00 1.43 C ATOM 209 OE1 GLU A 18 -3.474 5.011 -8.486 1.00 2.36 O ATOM 210 OE2 GLU A 18 -5.322 6.064 -8.000 1.00 1.76 O ATOM 0 H GLU A 18 -4.838 1.361 -7.771 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.481 3.051 -7.978 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.268 2.496 -5.595 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.200 3.865 -5.832 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -5.601 3.253 -7.577 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.636 4.341 -6.203 1.00 0.37 H new ATOM 217 N HIS A 19 -2.441 0.192 -6.436 1.00 0.15 N ATOM 218 CA HIS A 19 -1.555 -0.783 -5.805 1.00 0.14 C ATOM 219 C HIS A 19 -0.197 -0.746 -6.466 1.00 0.13 C ATOM 220 O HIS A 19 0.792 -0.561 -5.781 1.00 0.13 O ATOM 221 CB HIS A 19 -2.180 -2.199 -5.832 1.00 0.15 C ATOM 222 CG HIS A 19 -1.202 -3.338 -5.753 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.388 -3.575 -4.664 1.00 0.26 N ATOM 224 CD2 HIS A 19 -0.921 -4.314 -6.646 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.350 -4.646 -4.897 1.00 0.35 C ATOM 226 NE2 HIS A 19 0.044 -5.114 -6.089 1.00 0.36 N ATOM 0 H HIS A 19 -3.354 -0.180 -6.698 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.423 -0.519 -4.756 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.879 -2.285 -5.000 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.760 -2.304 -6.749 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.373 -4.440 -7.619 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.081 -5.067 -4.223 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.457 -5.937 -6.527 1.00 0.36 H new ATOM 235 N ARG A 20 -0.169 -0.848 -7.790 1.00 0.14 N ATOM 236 CA ARG A 20 1.086 -0.778 -8.535 1.00 0.14 C ATOM 237 C ARG A 20 1.835 0.509 -8.194 1.00 0.12 C ATOM 238 O ARG A 20 3.050 0.504 -8.003 1.00 0.15 O ATOM 239 CB ARG A 20 0.821 -0.827 -10.035 1.00 0.19 C ATOM 240 CG ARG A 20 -0.030 -2.004 -10.471 1.00 0.25 C ATOM 241 CD ARG A 20 0.111 -2.249 -11.958 1.00 0.90 C ATOM 242 NE ARG A 20 -0.217 -1.060 -12.748 1.00 2.11 N ATOM 243 CZ ARG A 20 0.104 -0.907 -14.032 1.00 2.93 C ATOM 244 NH1 ARG A 20 0.770 -1.861 -14.673 1.00 2.80 N ATOM 245 NH2 ARG A 20 -0.233 0.208 -14.670 1.00 4.14 N ATOM 0 H ARG A 20 -0.998 -0.979 -8.370 1.00 0.14 H new ATOM 0 HA ARG A 20 1.696 -1.636 -8.252 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.328 0.097 -10.337 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.775 -0.866 -10.561 1.00 0.19 H new ATOM 0 HG2 ARG A 20 0.268 -2.897 -9.921 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -1.075 -1.813 -10.227 1.00 0.25 H new ATOM 0 HD2 ARG A 20 1.133 -2.559 -12.178 1.00 0.90 H new ATOM 0 HD3 ARG A 20 -0.542 -3.071 -12.253 1.00 0.90 H new ATOM 0 HE ARG A 20 -0.722 -0.303 -12.287 1.00 2.11 H new ATOM 0 HH11 ARG A 20 1.037 -2.714 -14.182 1.00 2.80 H new ATOM 0 HH12 ARG A 20 1.014 -1.740 -15.656 1.00 2.80 H new ATOM 0 HH21 ARG A 20 -0.737 0.945 -14.177 1.00 4.14 H new ATOM 0 HH22 ARG A 20 0.012 0.327 -15.653 1.00 4.14 H new ATOM 259 N GLU A 21 1.080 1.600 -8.095 1.00 0.14 N ATOM 260 CA GLU A 21 1.625 2.912 -7.761 1.00 0.14 C ATOM 261 C GLU A 21 2.317 2.884 -6.402 1.00 0.11 C ATOM 262 O GLU A 21 3.457 3.325 -6.274 1.00 0.13 O ATOM 263 CB GLU A 21 0.498 3.956 -7.728 1.00 0.20 C ATOM 264 CG GLU A 21 -0.441 3.903 -8.919 1.00 0.33 C ATOM 265 CD GLU A 21 0.193 4.412 -10.195 1.00 0.52 C ATOM 266 OE1 GLU A 21 1.248 5.073 -10.114 1.00 0.98 O ATOM 267 OE2 GLU A 21 -0.359 4.157 -11.287 1.00 0.82 O ATOM 0 H GLU A 21 0.071 1.599 -8.245 1.00 0.14 H new ATOM 0 HA GLU A 21 2.355 3.178 -8.525 1.00 0.14 H new ATOM 0 HB2 GLU A 21 -0.083 3.817 -6.816 1.00 0.20 H new ATOM 0 HB3 GLU A 21 0.942 4.950 -7.675 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.771 2.875 -9.069 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -1.330 4.495 -8.700 1.00 0.33 H new ATOM 274 N LEU A 22 1.619 2.367 -5.391 1.00 0.10 N ATOM 275 CA LEU A 22 2.149 2.339 -4.027 1.00 0.09 C ATOM 276 C LEU A 22 3.457 1.563 -3.951 1.00 0.09 C ATOM 277 O LEU A 22 4.389 1.974 -3.268 1.00 0.12 O ATOM 278 CB LEU A 22 1.142 1.746 -3.029 1.00 0.10 C ATOM 279 CG LEU A 22 0.022 2.683 -2.571 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.579 4.065 -2.292 1.00 0.18 C ATOM 281 CD2 LEU A 22 -1.079 2.758 -3.598 1.00 0.22 C ATOM 0 H LEU A 22 0.688 1.963 -5.490 1.00 0.10 H new ATOM 0 HA LEU A 22 2.337 3.377 -3.752 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.689 0.864 -3.481 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.689 1.408 -2.149 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.404 2.280 -1.652 1.00 0.15 H new ATOM 0 HD11 LEU A 22 -0.227 4.723 -1.967 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.334 4.002 -1.509 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.031 4.465 -3.200 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.861 3.431 -3.245 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.675 3.133 -4.538 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.499 1.764 -3.754 1.00 0.22 H new ATOM 293 N VAL A 23 3.534 0.439 -4.643 1.00 0.08 N ATOM 294 CA VAL A 23 4.749 -0.343 -4.643 1.00 0.09 C ATOM 295 C VAL A 23 5.809 0.303 -5.528 1.00 0.11 C ATOM 296 O VAL A 23 7.006 0.217 -5.238 1.00 0.12 O ATOM 297 CB VAL A 23 4.495 -1.809 -5.048 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.048 -2.060 -5.439 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.409 -2.227 -6.167 1.00 0.12 C ATOM 0 H VAL A 23 2.775 0.054 -5.206 1.00 0.08 H new ATOM 0 HA VAL A 23 5.125 -0.360 -3.620 1.00 0.09 H new ATOM 0 HB VAL A 23 4.709 -2.414 -4.167 1.00 0.11 H new ATOM 0 HG11 VAL A 23 2.922 -3.107 -5.715 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.398 -1.827 -4.596 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.785 -1.427 -6.286 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.208 -3.265 -6.432 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.236 -1.591 -7.035 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.446 -2.129 -5.846 1.00 0.12 H new ATOM 309 N SER A 24 5.374 0.964 -6.594 1.00 0.12 N ATOM 310 CA SER A 24 6.276 1.774 -7.396 1.00 0.15 C ATOM 311 C SER A 24 6.872 2.862 -6.509 1.00 0.13 C ATOM 312 O SER A 24 7.989 3.328 -6.730 1.00 0.15 O ATOM 313 CB SER A 24 5.535 2.398 -8.585 1.00 0.19 C ATOM 314 OG SER A 24 6.437 2.989 -9.507 1.00 0.74 O ATOM 0 H SER A 24 4.408 0.954 -6.920 1.00 0.12 H new ATOM 0 HA SER A 24 7.072 1.145 -7.796 1.00 0.15 H new ATOM 0 HB2 SER A 24 4.946 1.633 -9.090 1.00 0.19 H new ATOM 0 HB3 SER A 24 4.836 3.152 -8.224 1.00 0.19 H new ATOM 0 HG SER A 24 6.059 2.942 -10.410 1.00 0.74 H new ATOM 320 N ALA A 25 6.120 3.227 -5.478 1.00 0.10 N ATOM 321 CA ALA A 25 6.575 4.211 -4.510 1.00 0.09 C ATOM 322 C ALA A 25 7.435 3.550 -3.448 1.00 0.08 C ATOM 323 O ALA A 25 8.381 4.157 -2.966 1.00 0.08 O ATOM 324 CB ALA A 25 5.407 4.921 -3.853 1.00 0.12 C ATOM 0 H ALA A 25 5.189 2.853 -5.292 1.00 0.10 H new ATOM 0 HA ALA A 25 7.169 4.951 -5.046 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.782 5.650 -3.135 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.817 5.432 -4.614 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.782 4.192 -3.337 1.00 0.12 H new ATOM 330 N ILE A 26 7.105 2.309 -3.076 1.00 0.08 N ATOM 331 CA ILE A 26 7.928 1.558 -2.140 1.00 0.08 C ATOM 332 C ILE A 26 9.349 1.485 -2.661 1.00 0.09 C ATOM 333 O ILE A 26 10.298 1.860 -1.978 1.00 0.12 O ATOM 334 CB ILE A 26 7.390 0.119 -1.905 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.338 0.118 -0.809 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.507 -0.844 -1.539 1.00 0.15 C ATOM 337 CD1 ILE A 26 5.982 -1.269 -0.324 1.00 0.20 C ATOM 0 H ILE A 26 6.279 1.812 -3.409 1.00 0.08 H new ATOM 0 HA ILE A 26 7.898 2.082 -1.184 1.00 0.08 H new ATOM 0 HB ILE A 26 6.942 -0.217 -2.840 1.00 0.11 H new ATOM 0 HG12 ILE A 26 6.700 0.708 0.033 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.438 0.609 -1.179 1.00 0.18 H new ATOM 0 HG21 ILE A 26 8.092 -1.840 -1.382 1.00 0.15 H new ATOM 0 HG22 ILE A 26 9.237 -0.878 -2.347 1.00 0.15 H new ATOM 0 HG23 ILE A 26 8.994 -0.506 -0.624 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.226 -1.198 0.458 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.591 -1.856 -1.155 1.00 0.20 H new ATOM 0 HD13 ILE A 26 6.872 -1.755 0.075 1.00 0.20 H new ATOM 349 N GLN A 27 9.467 1.033 -3.896 1.00 0.09 N ATOM 350 CA GLN A 27 10.755 0.883 -4.548 1.00 0.11 C ATOM 351 C GLN A 27 11.480 2.228 -4.634 1.00 0.13 C ATOM 352 O GLN A 27 12.708 2.293 -4.589 1.00 0.17 O ATOM 353 CB GLN A 27 10.541 0.279 -5.934 1.00 0.11 C ATOM 354 CG GLN A 27 9.792 -1.038 -5.879 1.00 0.13 C ATOM 355 CD GLN A 27 9.649 -1.697 -7.235 1.00 0.19 C ATOM 356 OE1 GLN A 27 10.500 -2.487 -7.641 1.00 0.99 O ATOM 357 NE2 GLN A 27 8.572 -1.382 -7.938 1.00 1.25 N ATOM 0 H GLN A 27 8.673 0.760 -4.475 1.00 0.09 H new ATOM 0 HA GLN A 27 11.386 0.215 -3.962 1.00 0.11 H new ATOM 0 HB2 GLN A 27 9.987 0.984 -6.553 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.508 0.125 -6.414 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.313 -1.718 -5.205 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.801 -0.868 -5.458 1.00 0.13 H new ATOM 0 HE21 GLN A 27 7.892 -0.721 -7.561 1.00 1.25 H new ATOM 0 HE22 GLN A 27 8.422 -1.800 -8.856 1.00 1.25 H new ATOM 366 N SER A 28 10.701 3.295 -4.723 1.00 0.13 N ATOM 367 CA SER A 28 11.229 4.645 -4.773 1.00 0.16 C ATOM 368 C SER A 28 11.661 5.128 -3.380 1.00 0.18 C ATOM 369 O SER A 28 12.775 5.621 -3.206 1.00 0.22 O ATOM 370 CB SER A 28 10.156 5.556 -5.364 1.00 0.16 C ATOM 371 OG SER A 28 9.901 5.220 -6.717 1.00 0.68 O ATOM 0 H SER A 28 9.683 3.247 -4.763 1.00 0.13 H new ATOM 0 HA SER A 28 12.120 4.667 -5.401 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.238 5.468 -4.783 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.477 6.595 -5.297 1.00 0.16 H new ATOM 0 HG SER A 28 9.077 4.692 -6.773 1.00 0.68 H new ATOM 377 N TYR A 29 10.774 4.969 -2.398 1.00 0.16 N ATOM 378 CA TYR A 29 11.056 5.300 -1.001 1.00 0.19 C ATOM 379 C TYR A 29 12.308 4.572 -0.549 1.00 0.24 C ATOM 380 O TYR A 29 13.268 5.176 -0.078 1.00 0.28 O ATOM 381 CB TYR A 29 9.849 4.876 -0.142 1.00 0.15 C ATOM 382 CG TYR A 29 9.921 5.150 1.360 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.830 4.994 2.216 1.00 0.17 C ATOM 384 CD2 TYR A 29 11.115 5.598 1.915 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.940 5.276 3.566 1.00 0.22 C ATOM 386 CE2 TYR A 29 11.228 5.881 3.264 1.00 0.27 C ATOM 387 CZ TYR A 29 9.966 5.581 4.117 1.00 0.22 C ATOM 388 OH TYR A 29 10.244 6.000 5.428 1.00 0.32 O ATOM 0 H TYR A 29 9.834 4.605 -2.550 1.00 0.16 H new ATOM 0 HA TYR A 29 11.221 6.372 -0.892 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.964 5.378 -0.534 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.696 3.806 -0.282 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.887 4.648 1.819 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.976 5.728 1.276 1.00 0.24 H new ATOM 0 HE1 TYR A 29 8.044 5.219 4.167 1.00 0.22 H new ATOM 0 HE2 TYR A 29 12.133 6.283 3.695 1.00 0.27 H new ATOM 0 HH TYR A 29 11.206 6.163 5.522 1.00 0.32 H new ATOM 398 N ILE A 30 12.287 3.269 -0.727 1.00 0.25 N ATOM 399 CA ILE A 30 13.361 2.411 -0.287 1.00 0.32 C ATOM 400 C ILE A 30 14.672 2.720 -1.003 1.00 0.38 C ATOM 401 O ILE A 30 15.736 2.702 -0.389 1.00 0.44 O ATOM 402 CB ILE A 30 12.958 0.948 -0.491 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.749 0.652 0.406 1.00 0.28 C ATOM 404 CG2 ILE A 30 14.130 0.021 -0.221 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.283 -0.780 0.386 1.00 0.29 C ATOM 0 H ILE A 30 11.520 2.775 -1.183 1.00 0.25 H new ATOM 0 HA ILE A 30 13.534 2.596 0.773 1.00 0.32 H new ATOM 0 HB ILE A 30 12.672 0.772 -1.528 1.00 0.30 H new ATOM 0 HG12 ILE A 30 12.000 0.923 1.431 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.922 1.293 0.100 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.819 -1.013 -0.373 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.946 0.258 -0.904 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.468 0.151 0.807 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.425 -0.893 1.049 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.996 -1.055 -0.629 1.00 0.29 H new ATOM 0 HD13 ILE A 30 12.090 -1.430 0.723 1.00 0.29 H new ATOM 417 N GLY A 31 14.588 3.044 -2.285 1.00 0.38 N ATOM 418 CA GLY A 31 15.782 3.376 -3.038 1.00 0.47 C ATOM 419 C GLY A 31 16.331 4.736 -2.649 1.00 0.50 C ATOM 420 O GLY A 31 17.452 5.097 -3.010 1.00 0.57 O ATOM 0 H GLY A 31 13.718 3.083 -2.817 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.543 2.614 -2.868 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.554 3.367 -4.104 1.00 0.47 H new ATOM 424 N ALA A 32 15.526 5.489 -1.915 1.00 0.48 N ATOM 425 CA ALA A 32 15.920 6.796 -1.417 1.00 0.51 C ATOM 426 C ALA A 32 16.446 6.697 0.004 1.00 0.54 C ATOM 427 O ALA A 32 17.216 7.549 0.451 1.00 0.60 O ATOM 428 CB ALA A 32 14.736 7.739 -1.443 1.00 0.46 C ATOM 0 H ALA A 32 14.582 5.210 -1.648 1.00 0.48 H new ATOM 0 HA ALA A 32 16.711 7.179 -2.062 1.00 0.51 H new ATOM 0 HB1 ALA A 32 15.041 8.716 -1.068 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.374 7.840 -2.466 1.00 0.46 H new ATOM 0 HB3 ALA A 32 13.940 7.341 -0.814 1.00 0.46 H new ATOM 434 N GLN A 33 16.003 5.662 0.712 1.00 0.50 N ATOM 435 CA GLN A 33 16.347 5.476 2.103 1.00 0.53 C ATOM 436 C GLN A 33 17.842 5.416 2.327 1.00 0.65 C ATOM 437 O GLN A 33 18.615 5.074 1.429 1.00 0.70 O ATOM 438 CB GLN A 33 15.708 4.210 2.623 1.00 0.50 C ATOM 439 CG GLN A 33 14.245 4.396 2.911 1.00 0.42 C ATOM 440 CD GLN A 33 13.981 4.786 4.355 1.00 0.44 C ATOM 441 OE1 GLN A 33 13.777 3.934 5.217 1.00 1.04 O ATOM 442 NE2 GLN A 33 13.994 6.078 4.634 1.00 1.19 N ATOM 0 H GLN A 33 15.397 4.935 0.331 1.00 0.50 H new ATOM 0 HA GLN A 33 15.969 6.342 2.647 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.835 3.413 1.891 1.00 0.50 H new ATOM 0 HB3 GLN A 33 16.219 3.893 3.532 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.843 5.165 2.251 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.713 3.472 2.685 1.00 0.42 H new ATOM 0 HE21 GLN A 33 14.167 6.758 3.894 1.00 1.19 H new ATOM 0 HE22 GLN A 33 13.831 6.395 5.590 1.00 1.19 H new ATOM 451 N ASP A 34 18.230 5.734 3.545 1.00 0.72 N ATOM 452 CA ASP A 34 19.623 5.691 3.949 1.00 0.85 C ATOM 453 C ASP A 34 20.120 4.263 3.924 1.00 0.88 C ATOM 454 O ASP A 34 21.289 3.990 3.652 1.00 0.99 O ATOM 455 CB ASP A 34 19.771 6.281 5.342 1.00 0.90 C ATOM 456 CG ASP A 34 21.216 6.540 5.718 1.00 1.06 C ATOM 457 OD1 ASP A 34 21.711 5.895 6.666 1.00 1.14 O ATOM 458 OD2 ASP A 34 21.872 7.368 5.054 1.00 1.22 O ATOM 0 H ASP A 34 17.591 6.029 4.283 1.00 0.72 H new ATOM 0 HA ASP A 34 20.221 6.280 3.253 1.00 0.85 H new ATOM 0 HB2 ASP A 34 19.213 7.215 5.397 1.00 0.90 H new ATOM 0 HB3 ASP A 34 19.327 5.601 6.069 1.00 0.90 H new ATOM 463 N ASP A 35 19.199 3.358 4.192 1.00 0.82 N ATOM 464 CA ASP A 35 19.464 1.930 4.073 1.00 0.89 C ATOM 465 C ASP A 35 18.302 1.280 3.352 1.00 0.80 C ATOM 466 O ASP A 35 17.264 1.006 3.955 1.00 0.77 O ATOM 467 CB ASP A 35 19.655 1.221 5.423 1.00 0.99 C ATOM 468 CG ASP A 35 20.270 2.095 6.498 1.00 1.60 C ATOM 469 OD1 ASP A 35 19.510 2.723 7.263 1.00 2.19 O ATOM 470 OD2 ASP A 35 21.516 2.179 6.565 1.00 1.95 O ATOM 0 H ASP A 35 18.252 3.585 4.496 1.00 0.82 H new ATOM 0 HA ASP A 35 20.400 1.829 3.524 1.00 0.89 H new ATOM 0 HB2 ASP A 35 18.687 0.860 5.772 1.00 0.99 H new ATOM 0 HB3 ASP A 35 20.287 0.345 5.275 1.00 0.99 H new ATOM 475 N PRO A 36 18.460 1.019 2.053 1.00 0.79 N ATOM 476 CA PRO A 36 17.422 0.399 1.223 1.00 0.72 C ATOM 477 C PRO A 36 17.309 -1.077 1.503 1.00 0.77 C ATOM 478 O PRO A 36 16.457 -1.777 0.974 1.00 0.77 O ATOM 479 CB PRO A 36 17.965 0.608 -0.178 1.00 0.73 C ATOM 480 CG PRO A 36 19.433 0.515 0.018 1.00 0.84 C ATOM 481 CD PRO A 36 19.676 1.296 1.271 1.00 0.85 C ATOM 0 HA PRO A 36 16.431 0.818 1.395 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.601 -0.152 -0.870 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.672 1.576 -0.585 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.758 -0.520 0.123 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.977 0.936 -0.828 1.00 0.84 H new ATOM 0 HD2 PRO A 36 20.577 0.965 1.788 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.797 2.360 1.070 1.00 0.85 H new ATOM 489 N THR A 37 18.205 -1.522 2.336 1.00 0.84 N ATOM 490 CA THR A 37 18.351 -2.918 2.644 1.00 0.90 C ATOM 491 C THR A 37 17.296 -3.376 3.629 1.00 0.89 C ATOM 492 O THR A 37 16.857 -4.526 3.608 1.00 0.91 O ATOM 493 CB THR A 37 19.757 -3.156 3.207 1.00 1.03 C ATOM 494 OG1 THR A 37 19.865 -2.596 4.525 1.00 1.07 O ATOM 495 CG2 THR A 37 20.778 -2.476 2.313 1.00 1.06 C ATOM 0 H THR A 37 18.864 -0.919 2.828 1.00 0.84 H new ATOM 0 HA THR A 37 18.216 -3.501 1.733 1.00 0.90 H new ATOM 0 HB THR A 37 19.940 -4.230 3.249 1.00 1.03 H new ATOM 0 HG1 THR A 37 20.766 -2.755 4.875 1.00 1.07 H new ATOM 0 HG21 THR A 37 21.779 -2.643 2.711 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.714 -2.890 1.307 1.00 1.06 H new ATOM 0 HG23 THR A 37 20.576 -1.405 2.279 1.00 1.06 H new ATOM 503 N ASN A 38 16.884 -2.456 4.476 1.00 0.87 N ATOM 504 CA ASN A 38 15.848 -2.720 5.454 1.00 0.88 C ATOM 505 C ASN A 38 15.270 -1.403 5.969 1.00 0.80 C ATOM 506 O ASN A 38 15.396 -1.077 7.148 1.00 0.86 O ATOM 507 CB ASN A 38 16.450 -3.523 6.594 1.00 1.05 C ATOM 508 CG ASN A 38 15.410 -4.220 7.453 1.00 1.02 C ATOM 509 OD1 ASN A 38 14.878 -3.645 8.400 1.00 1.43 O ATOM 510 ND2 ASN A 38 15.124 -5.475 7.137 1.00 1.64 N ATOM 0 H ASN A 38 17.256 -1.507 4.507 1.00 0.87 H new ATOM 0 HA ASN A 38 15.038 -3.290 4.998 1.00 0.88 H new ATOM 0 HB2 ASN A 38 17.131 -4.269 6.184 1.00 1.05 H new ATOM 0 HB3 ASN A 38 17.044 -2.860 7.222 1.00 1.05 H new ATOM 0 HD21 ASN A 38 14.442 -5.997 7.687 1.00 1.64 H new ATOM 0 HD22 ASN A 38 15.586 -5.919 6.344 1.00 1.64 H new ATOM 517 N PRO A 39 14.656 -0.616 5.068 1.00 0.68 N ATOM 518 CA PRO A 39 14.088 0.707 5.391 1.00 0.61 C ATOM 519 C PRO A 39 13.024 0.696 6.490 1.00 0.63 C ATOM 520 O PRO A 39 12.640 -0.358 7.006 1.00 0.73 O ATOM 521 CB PRO A 39 13.461 1.168 4.074 1.00 0.53 C ATOM 522 CG PRO A 39 13.373 -0.049 3.227 1.00 0.54 C ATOM 523 CD PRO A 39 14.490 -0.937 3.644 1.00 0.64 C ATOM 0 HA PRO A 39 14.868 1.360 5.782 1.00 0.61 H new ATOM 0 HB2 PRO A 39 12.475 1.602 4.240 1.00 0.53 H new ATOM 0 HB3 PRO A 39 14.071 1.935 3.597 1.00 0.53 H new ATOM 0 HG2 PRO A 39 12.412 -0.546 3.361 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.455 0.207 2.171 1.00 0.54 H new ATOM 0 HD2 PRO A 39 14.247 -1.989 3.493 1.00 0.64 H new ATOM 0 HD3 PRO A 39 15.399 -0.736 3.077 1.00 0.64 H new ATOM 531 N SER A 40 12.549 1.891 6.826 1.00 0.58 N ATOM 532 CA SER A 40 11.535 2.073 7.859 1.00 0.61 C ATOM 533 C SER A 40 10.182 1.510 7.434 1.00 0.53 C ATOM 534 O SER A 40 10.044 0.898 6.370 1.00 0.49 O ATOM 535 CB SER A 40 11.383 3.564 8.180 1.00 0.64 C ATOM 536 OG SER A 40 12.625 4.130 8.568 1.00 0.77 O ATOM 0 H SER A 40 12.856 2.761 6.390 1.00 0.58 H new ATOM 0 HA SER A 40 11.866 1.528 8.743 1.00 0.61 H new ATOM 0 HB2 SER A 40 10.997 4.090 7.307 1.00 0.64 H new ATOM 0 HB3 SER A 40 10.654 3.695 8.980 1.00 0.64 H new ATOM 0 HG SER A 40 12.503 5.082 8.766 1.00 0.77 H new ATOM 542 N GLU A 41 9.191 1.706 8.288 1.00 0.58 N ATOM 543 CA GLU A 41 7.830 1.339 7.983 1.00 0.55 C ATOM 544 C GLU A 41 7.286 2.257 6.911 1.00 0.51 C ATOM 545 O GLU A 41 7.450 3.475 6.972 1.00 0.72 O ATOM 546 CB GLU A 41 6.986 1.404 9.257 1.00 0.66 C ATOM 547 CG GLU A 41 5.508 1.598 9.015 1.00 0.66 C ATOM 548 CD GLU A 41 4.712 1.672 10.303 1.00 0.82 C ATOM 549 OE1 GLU A 41 4.315 0.611 10.827 1.00 0.85 O ATOM 550 OE2 GLU A 41 4.489 2.794 10.806 1.00 0.99 O ATOM 0 H GLU A 41 9.314 2.124 9.210 1.00 0.58 H new ATOM 0 HA GLU A 41 7.794 0.318 7.604 1.00 0.55 H new ATOM 0 HB2 GLU A 41 7.132 0.484 9.823 1.00 0.66 H new ATOM 0 HB3 GLU A 41 7.351 2.221 9.879 1.00 0.66 H new ATOM 0 HG2 GLU A 41 5.354 2.514 8.444 1.00 0.66 H new ATOM 0 HG3 GLU A 41 5.132 0.776 8.406 1.00 0.66 H new ATOM 557 N ILE A 42 6.661 1.660 5.923 1.00 0.29 N ATOM 558 CA ILE A 42 6.201 2.384 4.776 1.00 0.21 C ATOM 559 C ILE A 42 4.693 2.577 4.811 1.00 0.22 C ATOM 560 O ILE A 42 3.938 1.624 5.008 1.00 0.27 O ATOM 561 CB ILE A 42 6.601 1.646 3.495 1.00 0.16 C ATOM 562 CG1 ILE A 42 8.113 1.734 3.288 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.844 2.194 2.313 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.548 1.624 1.847 1.00 0.15 C ATOM 0 H ILE A 42 6.461 0.660 5.898 1.00 0.29 H new ATOM 0 HA ILE A 42 6.669 3.368 4.790 1.00 0.21 H new ATOM 0 HB ILE A 42 6.338 0.593 3.592 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.469 2.682 3.692 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.594 0.942 3.862 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.140 1.658 1.411 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.774 2.067 2.476 1.00 0.13 H new ATOM 0 HG23 ILE A 42 6.070 3.254 2.196 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.634 1.696 1.788 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.226 0.665 1.442 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.099 2.432 1.269 1.00 0.15 H new ATOM 576 N THR A 43 4.259 3.816 4.634 1.00 0.19 N ATOM 577 CA THR A 43 2.843 4.113 4.542 1.00 0.19 C ATOM 578 C THR A 43 2.560 4.980 3.346 1.00 0.16 C ATOM 579 O THR A 43 3.477 5.516 2.735 1.00 0.15 O ATOM 580 CB THR A 43 2.302 4.810 5.801 1.00 0.21 C ATOM 581 OG1 THR A 43 3.029 6.017 6.040 1.00 0.21 O ATOM 582 CG2 THR A 43 2.404 3.895 7.007 1.00 0.22 C ATOM 0 H THR A 43 4.869 4.629 4.552 1.00 0.19 H new ATOM 0 HA THR A 43 2.335 3.154 4.441 1.00 0.19 H new ATOM 0 HB THR A 43 1.251 5.050 5.639 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.678 6.457 6.842 1.00 0.21 H new ATOM 0 HG21 THR A 43 2.016 4.408 7.887 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.822 2.991 6.828 1.00 0.22 H new ATOM 0 HG23 THR A 43 3.448 3.628 7.174 1.00 0.22 H new ATOM 590 N LEU A 44 1.294 5.130 3.025 1.00 0.16 N ATOM 591 CA LEU A 44 0.898 5.914 1.875 1.00 0.15 C ATOM 592 C LEU A 44 1.275 7.363 2.076 1.00 0.15 C ATOM 593 O LEU A 44 1.722 8.049 1.159 1.00 0.16 O ATOM 594 CB LEU A 44 -0.590 5.810 1.666 1.00 0.16 C ATOM 595 CG LEU A 44 -1.130 4.397 1.586 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.493 4.405 0.942 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.166 3.491 0.842 1.00 0.18 C ATOM 0 H LEU A 44 0.519 4.719 3.545 1.00 0.16 H new ATOM 0 HA LEU A 44 1.415 5.526 0.997 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.093 6.329 2.482 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -0.850 6.334 0.746 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.232 3.999 2.595 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -2.876 3.386 0.887 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.172 5.016 1.536 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.418 4.819 -0.064 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.576 2.482 0.798 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.020 3.868 -0.170 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.791 3.471 1.364 1.00 0.18 H new ATOM 609 N ALA A 45 1.106 7.800 3.305 1.00 0.15 N ATOM 610 CA ALA A 45 1.401 9.163 3.686 1.00 0.15 C ATOM 611 C ALA A 45 2.903 9.444 3.567 1.00 0.15 C ATOM 612 O ALA A 45 3.324 10.583 3.373 1.00 0.18 O ATOM 613 CB ALA A 45 0.889 9.402 5.096 1.00 0.18 C ATOM 0 H ALA A 45 0.760 7.219 4.069 1.00 0.15 H new ATOM 0 HA ALA A 45 0.897 9.855 3.011 1.00 0.15 H new ATOM 0 HB1 ALA A 45 1.107 10.428 5.393 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.188 9.237 5.125 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.380 8.713 5.783 1.00 0.18 H new ATOM 619 N LYS A 46 3.700 8.385 3.679 1.00 0.15 N ATOM 620 CA LYS A 46 5.142 8.455 3.489 1.00 0.15 C ATOM 621 C LYS A 46 5.509 8.289 2.028 1.00 0.13 C ATOM 622 O LYS A 46 6.451 8.903 1.538 1.00 0.13 O ATOM 623 CB LYS A 46 5.799 7.346 4.271 1.00 0.16 C ATOM 624 CG LYS A 46 5.715 7.510 5.765 1.00 0.20 C ATOM 625 CD LYS A 46 6.243 6.278 6.458 1.00 0.22 C ATOM 626 CE LYS A 46 5.894 6.284 7.923 1.00 0.30 C ATOM 627 NZ LYS A 46 6.524 7.423 8.647 1.00 0.36 N ATOM 0 H LYS A 46 3.360 7.450 3.905 1.00 0.15 H new ATOM 0 HA LYS A 46 5.483 9.431 3.833 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.337 6.398 3.994 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.848 7.285 3.982 1.00 0.16 H new ATOM 0 HG2 LYS A 46 6.289 8.384 6.075 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.681 7.687 6.061 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.828 5.387 5.987 1.00 0.22 H new ATOM 0 HD3 LYS A 46 7.325 6.227 6.340 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.811 6.338 8.037 1.00 0.30 H new ATOM 0 HE3 LYS A 46 6.216 5.346 8.375 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 6.341 7.330 9.667 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 7.550 7.417 8.478 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 6.122 8.318 8.303 1.00 0.36 H new ATOM 641 N LEU A 47 4.764 7.435 1.348 1.00 0.13 N ATOM 642 CA LEU A 47 5.000 7.137 -0.049 1.00 0.11 C ATOM 643 C LEU A 47 4.625 8.313 -0.935 1.00 0.12 C ATOM 644 O LEU A 47 4.966 8.337 -2.112 1.00 0.14 O ATOM 645 CB LEU A 47 4.201 5.898 -0.447 1.00 0.09 C ATOM 646 CG LEU A 47 4.754 4.578 0.078 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.889 3.419 -0.386 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.197 4.389 -0.362 1.00 0.11 C ATOM 0 H LEU A 47 3.977 6.929 1.753 1.00 0.13 H new ATOM 0 HA LEU A 47 6.064 6.945 -0.187 1.00 0.11 H new ATOM 0 HB2 LEU A 47 3.178 6.014 -0.089 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.155 5.848 -1.535 1.00 0.09 H new ATOM 0 HG LEU A 47 4.734 4.603 1.168 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.297 2.484 -0.003 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.873 3.551 -0.013 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.875 3.389 -1.475 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.574 3.441 0.023 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.248 4.385 -1.451 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.806 5.206 0.026 1.00 0.11 H new ATOM 660 N ALA A 48 3.952 9.294 -0.339 1.00 0.12 N ATOM 661 CA ALA A 48 3.451 10.471 -1.045 1.00 0.14 C ATOM 662 C ALA A 48 4.453 11.064 -2.049 1.00 0.15 C ATOM 663 O ALA A 48 4.126 11.203 -3.228 1.00 0.19 O ATOM 664 CB ALA A 48 3.014 11.533 -0.047 1.00 0.16 C ATOM 0 H ALA A 48 3.737 9.294 0.658 1.00 0.12 H new ATOM 0 HA ALA A 48 2.596 10.135 -1.632 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.642 12.406 -0.584 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.223 11.133 0.587 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.863 11.822 0.572 1.00 0.16 H new ATOM 670 N PRO A 49 5.682 11.417 -1.613 1.00 0.15 N ATOM 671 CA PRO A 49 6.683 12.045 -2.484 1.00 0.19 C ATOM 672 C PRO A 49 7.215 11.085 -3.543 1.00 0.21 C ATOM 673 O PRO A 49 7.729 11.495 -4.583 1.00 0.28 O ATOM 674 CB PRO A 49 7.808 12.420 -1.507 1.00 0.21 C ATOM 675 CG PRO A 49 7.173 12.383 -0.167 1.00 0.37 C ATOM 676 CD PRO A 49 6.217 11.252 -0.256 1.00 0.14 C ATOM 0 HA PRO A 49 6.269 12.888 -3.038 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.638 11.717 -1.571 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.210 13.409 -1.727 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.910 12.222 0.620 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.664 13.320 0.060 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.710 10.289 -0.125 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.436 11.316 0.502 1.00 0.14 H new ATOM 684 N TYR A 50 7.067 9.802 -3.268 1.00 0.21 N ATOM 685 CA TYR A 50 7.655 8.754 -4.090 1.00 0.25 C ATOM 686 C TYR A 50 6.650 8.190 -5.082 1.00 0.27 C ATOM 687 O TYR A 50 7.001 7.374 -5.936 1.00 0.33 O ATOM 688 CB TYR A 50 8.158 7.633 -3.192 1.00 0.26 C ATOM 689 CG TYR A 50 9.062 8.118 -2.088 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.368 8.511 -2.349 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.601 8.197 -0.788 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.190 8.968 -1.337 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.415 8.651 0.234 1.00 0.30 C ATOM 694 CZ TYR A 50 10.709 9.036 -0.047 1.00 0.36 C ATOM 695 OH TYR A 50 11.523 9.494 0.963 1.00 0.42 O ATOM 0 H TYR A 50 6.536 9.455 -2.469 1.00 0.21 H new ATOM 0 HA TYR A 50 8.480 9.189 -4.654 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.304 7.117 -2.753 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.695 6.903 -3.798 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.747 8.459 -3.359 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.587 7.899 -0.566 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.204 9.270 -1.555 1.00 0.39 H new ATOM 0 HE2 TYR A 50 9.040 8.704 1.245 1.00 0.30 H new ATOM 0 HH TYR A 50 11.032 9.480 1.811 1.00 0.42 H new ATOM 705 N MET A 51 5.407 8.617 -4.960 1.00 0.28 N ATOM 706 CA MET A 51 4.340 8.097 -5.800 1.00 0.35 C ATOM 707 C MET A 51 4.508 8.535 -7.240 1.00 0.54 C ATOM 708 O MET A 51 5.030 9.612 -7.530 1.00 0.51 O ATOM 709 CB MET A 51 2.988 8.536 -5.277 1.00 0.29 C ATOM 710 CG MET A 51 2.658 7.957 -3.918 1.00 0.15 C ATOM 711 SD MET A 51 2.506 6.168 -3.918 1.00 0.26 S ATOM 712 CE MET A 51 1.452 5.910 -5.332 1.00 0.25 C ATOM 0 H MET A 51 5.109 9.323 -4.287 1.00 0.28 H new ATOM 0 HA MET A 51 4.396 7.009 -5.768 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.965 9.624 -5.217 1.00 0.29 H new ATOM 0 HB3 MET A 51 2.217 8.240 -5.988 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.434 8.248 -3.210 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.724 8.393 -3.563 1.00 0.15 H new ATOM 0 HE1 MET A 51 0.916 4.968 -5.219 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.736 6.729 -5.406 1.00 0.25 H new ATOM 0 HE3 MET A 51 2.059 5.876 -6.237 1.00 0.25 H new ATOM 722 N SER A 52 4.058 7.678 -8.132 1.00 0.90 N ATOM 723 CA SER A 52 4.242 7.884 -9.558 1.00 1.14 C ATOM 724 C SER A 52 3.043 8.600 -10.173 1.00 0.98 C ATOM 725 O SER A 52 3.200 9.481 -11.014 1.00 1.19 O ATOM 726 CB SER A 52 4.466 6.538 -10.242 1.00 1.43 C ATOM 727 OG SER A 52 5.448 5.780 -9.549 1.00 2.32 O ATOM 0 H SER A 52 3.557 6.822 -7.894 1.00 0.90 H new ATOM 0 HA SER A 52 5.117 8.517 -9.707 1.00 1.14 H new ATOM 0 HB2 SER A 52 3.529 5.982 -10.278 1.00 1.43 H new ATOM 0 HB3 SER A 52 4.782 6.696 -11.273 1.00 1.43 H new ATOM 0 HG SER A 52 5.429 4.853 -9.865 1.00 2.32 H new ATOM 733 N LYS A 53 1.847 8.209 -9.763 1.00 0.79 N ATOM 734 CA LYS A 53 0.639 8.838 -10.235 1.00 0.81 C ATOM 735 C LYS A 53 0.224 9.941 -9.273 1.00 0.98 C ATOM 736 O LYS A 53 0.386 9.767 -8.071 1.00 1.91 O ATOM 737 CB LYS A 53 -0.464 7.768 -10.363 1.00 0.99 C ATOM 738 CG LYS A 53 -1.676 7.945 -9.445 1.00 0.82 C ATOM 739 CD LYS A 53 -1.381 7.612 -7.980 1.00 0.69 C ATOM 740 CE LYS A 53 -2.626 7.725 -7.104 1.00 0.86 C ATOM 741 NZ LYS A 53 -3.820 8.209 -7.853 1.00 1.65 N ATOM 0 H LYS A 53 1.694 7.451 -9.098 1.00 0.79 H new ATOM 0 HA LYS A 53 0.806 9.290 -11.213 1.00 0.81 H new ATOM 0 HB2 LYS A 53 -0.813 7.755 -11.395 1.00 0.99 H new ATOM 0 HB3 LYS A 53 -0.021 6.792 -10.164 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -2.027 8.975 -9.513 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -2.487 7.308 -9.799 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -0.981 6.600 -7.912 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -0.611 8.285 -7.604 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -2.847 6.751 -6.668 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -2.422 8.405 -6.277 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -4.460 8.707 -7.202 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -3.517 8.859 -8.606 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -4.317 7.399 -8.275 1.00 1.65 H new ATOM 755 N ASN A 54 -0.243 11.072 -9.819 1.00 0.79 N ATOM 756 CA ASN A 54 -0.995 12.104 -9.069 1.00 0.77 C ATOM 757 C ASN A 54 -0.236 12.715 -7.886 1.00 0.93 C ATOM 758 O ASN A 54 0.076 13.906 -7.862 1.00 1.79 O ATOM 759 CB ASN A 54 -2.311 11.504 -8.552 1.00 0.75 C ATOM 760 CG ASN A 54 -3.181 12.537 -7.853 1.00 1.15 C ATOM 761 OD1 ASN A 54 -3.074 12.739 -6.644 1.00 2.06 O ATOM 762 ND2 ASN A 54 -4.042 13.199 -8.611 1.00 1.22 N ATOM 0 H ASN A 54 -0.111 11.305 -10.803 1.00 0.79 H new ATOM 0 HA ASN A 54 -1.167 12.914 -9.777 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -2.863 11.072 -9.387 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -2.090 10.691 -7.861 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -4.648 13.907 -8.196 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -4.099 13.001 -9.610 1.00 1.22 H new ATOM 769 N ALA A 55 0.025 11.863 -6.925 1.00 0.45 N ATOM 770 CA ALA A 55 0.512 12.198 -5.611 1.00 0.38 C ATOM 771 C ALA A 55 1.791 13.025 -5.601 1.00 0.49 C ATOM 772 O ALA A 55 2.555 13.055 -6.568 1.00 0.72 O ATOM 773 CB ALA A 55 0.733 10.895 -4.886 1.00 0.31 C ATOM 0 H ALA A 55 -0.105 10.859 -7.047 1.00 0.45 H new ATOM 0 HA ALA A 55 -0.230 12.832 -5.125 1.00 0.38 H new ATOM 0 HB1 ALA A 55 1.104 11.096 -3.881 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.209 10.349 -4.823 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.464 10.296 -5.429 1.00 0.31 H new ATOM 779 N LYS A 56 2.005 13.672 -4.464 1.00 0.48 N ATOM 780 CA LYS A 56 3.183 14.480 -4.215 1.00 0.59 C ATOM 781 C LYS A 56 3.274 14.766 -2.719 1.00 0.45 C ATOM 782 O LYS A 56 4.352 14.735 -2.129 1.00 0.50 O ATOM 783 CB LYS A 56 3.133 15.786 -5.009 1.00 0.79 C ATOM 784 CG LYS A 56 4.417 16.598 -4.926 1.00 1.43 C ATOM 785 CD LYS A 56 5.603 15.857 -5.531 1.00 1.46 C ATOM 786 CE LYS A 56 5.433 15.636 -7.028 1.00 1.71 C ATOM 787 NZ LYS A 56 6.576 14.884 -7.608 1.00 2.30 N ATOM 0 H LYS A 56 1.354 13.648 -3.679 1.00 0.48 H new ATOM 0 HA LYS A 56 4.068 13.934 -4.541 1.00 0.59 H new ATOM 0 HB2 LYS A 56 2.924 15.558 -6.054 1.00 0.79 H new ATOM 0 HB3 LYS A 56 2.305 16.393 -4.643 1.00 0.79 H new ATOM 0 HG2 LYS A 56 4.280 17.547 -5.445 1.00 1.43 H new ATOM 0 HG3 LYS A 56 4.630 16.833 -3.883 1.00 1.43 H new ATOM 0 HD2 LYS A 56 6.516 16.424 -5.349 1.00 1.46 H new ATOM 0 HD3 LYS A 56 5.721 14.894 -5.033 1.00 1.46 H new ATOM 0 HE2 LYS A 56 4.508 15.090 -7.212 1.00 1.71 H new ATOM 0 HE3 LYS A 56 5.340 16.599 -7.529 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 6.424 14.753 -8.628 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 7.456 15.417 -7.455 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 6.650 13.955 -7.147 1.00 2.30 H new ATOM 801 N ASN A 57 2.122 15.033 -2.113 1.00 0.36 N ATOM 802 CA ASN A 57 2.027 15.180 -0.675 1.00 0.26 C ATOM 803 C ASN A 57 1.057 14.176 -0.116 1.00 0.22 C ATOM 804 O ASN A 57 0.280 13.577 -0.861 1.00 0.24 O ATOM 805 CB ASN A 57 1.567 16.578 -0.263 1.00 0.31 C ATOM 806 CG ASN A 57 2.644 17.625 -0.446 1.00 0.35 C ATOM 807 OD1 ASN A 57 2.740 18.259 -1.496 1.00 1.02 O ATOM 808 ND2 ASN A 57 3.462 17.814 0.575 1.00 1.32 N ATOM 0 H ASN A 57 1.237 15.152 -2.605 1.00 0.36 H new ATOM 0 HA ASN A 57 3.028 15.015 -0.276 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.692 16.856 -0.851 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.257 16.561 0.782 1.00 0.31 H new ATOM 0 HD21 ASN A 57 4.207 18.507 0.510 1.00 1.32 H new ATOM 0 HD22 ASN A 57 3.348 17.267 1.428 1.00 1.32 H new ATOM 815 N GLU A 58 1.101 14.014 1.188 1.00 0.23 N ATOM 816 CA GLU A 58 0.208 13.112 1.890 1.00 0.23 C ATOM 817 C GLU A 58 -1.243 13.498 1.625 1.00 0.30 C ATOM 818 O GLU A 58 -2.113 12.639 1.437 1.00 0.36 O ATOM 819 CB GLU A 58 0.518 13.135 3.387 1.00 0.27 C ATOM 820 CG GLU A 58 -0.685 13.444 4.243 1.00 0.36 C ATOM 821 CD GLU A 58 -0.398 13.392 5.727 1.00 0.46 C ATOM 822 OE1 GLU A 58 -0.884 14.278 6.461 1.00 0.68 O ATOM 823 OE2 GLU A 58 0.310 12.469 6.172 1.00 0.59 O ATOM 0 H GLU A 58 1.758 14.504 1.795 1.00 0.23 H new ATOM 0 HA GLU A 58 0.360 12.097 1.523 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.925 12.168 3.681 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.292 13.878 3.579 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.058 14.436 3.988 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.479 12.735 4.009 1.00 0.36 H new ATOM 830 N ASP A 59 -1.476 14.803 1.579 1.00 0.37 N ATOM 831 CA ASP A 59 -2.800 15.353 1.340 1.00 0.48 C ATOM 832 C ASP A 59 -3.360 14.865 0.014 1.00 0.41 C ATOM 833 O ASP A 59 -4.554 14.607 -0.115 1.00 0.50 O ATOM 834 CB ASP A 59 -2.732 16.872 1.334 1.00 0.63 C ATOM 835 CG ASP A 59 -4.107 17.510 1.373 1.00 0.65 C ATOM 836 OD1 ASP A 59 -4.680 17.632 2.476 1.00 0.90 O ATOM 837 OD2 ASP A 59 -4.625 17.891 0.301 1.00 0.55 O ATOM 0 H ASP A 59 -0.751 15.509 1.707 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.460 15.017 2.140 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -2.152 17.211 2.193 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.204 17.206 0.441 1.00 0.63 H new ATOM 842 N GLY A 60 -2.476 14.720 -0.958 1.00 0.35 N ATOM 843 CA GLY A 60 -2.895 14.327 -2.281 1.00 0.41 C ATOM 844 C GLY A 60 -2.908 12.831 -2.485 1.00 0.43 C ATOM 845 O GLY A 60 -3.866 12.288 -3.024 1.00 0.83 O ATOM 0 H GLY A 60 -1.472 14.868 -0.852 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.894 14.721 -2.470 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -2.229 14.781 -3.015 1.00 0.41 H new ATOM 849 N ILE A 61 -1.857 12.161 -2.035 1.00 0.25 N ATOM 850 CA ILE A 61 -1.677 10.751 -2.310 1.00 0.20 C ATOM 851 C ILE A 61 -2.805 9.905 -1.762 1.00 0.15 C ATOM 852 O ILE A 61 -3.544 9.274 -2.513 1.00 0.17 O ATOM 853 CB ILE A 61 -0.319 10.235 -1.765 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.219 8.726 -1.901 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.111 10.626 -0.310 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.641 8.203 -3.260 1.00 0.20 C ATOM 0 H ILE A 61 -1.114 12.578 -1.475 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.683 10.652 -3.396 1.00 0.20 H new ATOM 0 HB ILE A 61 0.462 10.704 -2.364 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.810 8.421 -1.708 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -0.838 8.260 -1.135 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.851 10.246 0.035 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.126 11.712 -0.219 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -0.909 10.200 0.299 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.542 7.118 -3.279 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.679 8.476 -3.448 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.006 8.639 -4.031 1.00 0.20 H new ATOM 868 N VAL A 62 -2.936 9.921 -0.469 1.00 0.14 N ATOM 869 CA VAL A 62 -3.810 9.007 0.212 1.00 0.13 C ATOM 870 C VAL A 62 -5.246 9.260 -0.183 1.00 0.19 C ATOM 871 O VAL A 62 -6.000 8.331 -0.454 1.00 0.24 O ATOM 872 CB VAL A 62 -3.634 9.137 1.724 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.479 8.136 2.444 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.191 8.938 2.089 1.00 0.12 C ATOM 0 H VAL A 62 -2.441 10.567 0.145 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.550 7.989 -0.079 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.950 10.137 2.023 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.338 8.247 3.519 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.528 8.300 2.197 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.188 7.130 2.142 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -2.072 9.032 3.168 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -1.869 7.945 1.774 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.582 9.692 1.590 1.00 0.12 H new ATOM 884 N ASN A 63 -5.592 10.529 -0.252 1.00 0.23 N ATOM 885 CA ASN A 63 -6.930 10.947 -0.647 1.00 0.28 C ATOM 886 C ASN A 63 -7.223 10.551 -2.101 1.00 0.26 C ATOM 887 O ASN A 63 -8.372 10.293 -2.466 1.00 0.32 O ATOM 888 CB ASN A 63 -7.081 12.460 -0.458 1.00 0.39 C ATOM 889 CG ASN A 63 -8.505 12.945 -0.667 1.00 0.56 C ATOM 890 OD1 ASN A 63 -9.466 12.207 -0.453 1.00 1.17 O ATOM 891 ND2 ASN A 63 -8.651 14.200 -1.059 1.00 1.20 N ATOM 0 H ASN A 63 -4.960 11.300 -0.038 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.654 10.438 -0.011 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -6.755 12.729 0.547 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.421 12.975 -1.156 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -9.585 14.587 -1.194 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -7.829 14.781 -1.226 1.00 1.20 H new ATOM 898 N SER A 64 -6.178 10.495 -2.922 1.00 0.25 N ATOM 899 CA SER A 64 -6.307 10.085 -4.319 1.00 0.30 C ATOM 900 C SER A 64 -6.388 8.563 -4.426 1.00 0.28 C ATOM 901 O SER A 64 -6.849 8.018 -5.428 1.00 0.39 O ATOM 902 CB SER A 64 -5.115 10.606 -5.134 1.00 0.38 C ATOM 903 OG SER A 64 -5.202 10.220 -6.497 1.00 1.17 O ATOM 0 H SER A 64 -5.226 10.730 -2.642 1.00 0.25 H new ATOM 0 HA SER A 64 -7.226 10.511 -4.721 1.00 0.30 H new ATOM 0 HB2 SER A 64 -5.075 11.693 -5.066 1.00 0.38 H new ATOM 0 HB3 SER A 64 -4.188 10.225 -4.706 1.00 0.38 H new ATOM 0 HG SER A 64 -5.391 11.008 -7.049 1.00 1.17 H new ATOM 909 N LEU A 65 -5.945 7.892 -3.381 1.00 0.21 N ATOM 910 CA LEU A 65 -5.908 6.439 -3.345 1.00 0.20 C ATOM 911 C LEU A 65 -7.217 5.855 -2.849 1.00 0.20 C ATOM 912 O LEU A 65 -8.023 6.552 -2.230 1.00 0.22 O ATOM 913 CB LEU A 65 -4.780 5.977 -2.436 1.00 0.21 C ATOM 914 CG LEU A 65 -3.386 6.256 -2.945 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.372 5.856 -1.903 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.138 5.511 -4.233 1.00 0.71 C ATOM 0 H LEU A 65 -5.600 8.337 -2.531 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.742 6.088 -4.363 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.898 6.458 -1.465 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -4.882 4.904 -2.274 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.288 7.324 -3.142 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.368 6.059 -2.275 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.543 6.427 -0.991 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.471 4.792 -1.689 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.129 5.722 -4.587 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.245 4.440 -4.060 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -3.861 5.831 -4.984 1.00 0.71 H new ATOM 928 N ALA A 66 -7.432 4.576 -3.159 1.00 0.21 N ATOM 929 CA ALA A 66 -8.606 3.853 -2.690 1.00 0.21 C ATOM 930 C ALA A 66 -8.784 4.019 -1.203 1.00 0.17 C ATOM 931 O ALA A 66 -7.818 3.998 -0.443 1.00 0.15 O ATOM 932 CB ALA A 66 -8.514 2.367 -3.020 1.00 0.23 C ATOM 0 H ALA A 66 -6.802 4.020 -3.737 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.468 4.276 -3.206 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.406 1.858 -2.656 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.438 2.238 -4.100 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.632 1.942 -2.541 1.00 0.23 H new ATOM 938 N LYS A 67 -10.019 4.175 -0.801 1.00 0.21 N ATOM 939 CA LYS A 67 -10.341 4.350 0.591 1.00 0.22 C ATOM 940 C LYS A 67 -11.059 3.128 1.107 1.00 0.29 C ATOM 941 O LYS A 67 -11.956 2.595 0.446 1.00 0.38 O ATOM 942 CB LYS A 67 -11.192 5.598 0.797 1.00 0.26 C ATOM 943 CG LYS A 67 -10.475 6.893 0.441 1.00 0.26 C ATOM 944 CD LYS A 67 -9.049 6.889 0.963 1.00 0.35 C ATOM 945 CE LYS A 67 -8.447 8.284 1.015 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.249 9.210 1.858 1.00 0.20 N ATOM 0 H LYS A 67 -10.825 4.184 -1.426 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.415 4.479 1.151 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -12.095 5.515 0.192 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -11.509 5.643 1.839 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.469 7.024 -0.641 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -11.017 7.740 0.861 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -9.032 6.451 1.961 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.433 6.254 0.326 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -7.432 8.225 1.407 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -8.376 8.685 0.004 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.638 9.972 2.214 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -10.018 9.619 1.289 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -9.653 8.687 2.661 1.00 0.20 H new ATOM 960 N ASP A 68 -10.657 2.682 2.279 1.00 0.30 N ATOM 961 CA ASP A 68 -11.215 1.477 2.851 1.00 0.42 C ATOM 962 C ASP A 68 -12.615 1.759 3.385 1.00 0.49 C ATOM 963 O ASP A 68 -12.931 2.902 3.723 1.00 0.64 O ATOM 964 CB ASP A 68 -10.308 0.909 3.949 1.00 0.50 C ATOM 965 CG ASP A 68 -10.826 -0.390 4.485 1.00 1.21 C ATOM 966 OD1 ASP A 68 -10.534 -0.712 5.651 1.00 1.35 O ATOM 967 OD2 ASP A 68 -11.570 -1.077 3.763 1.00 2.24 O ATOM 0 H ASP A 68 -9.946 3.136 2.853 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.284 0.721 2.069 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -9.304 0.763 3.551 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -10.227 1.631 4.762 1.00 0.50 H new ATOM 972 N LYS A 69 -13.447 0.736 3.461 1.00 0.58 N ATOM 973 CA LYS A 69 -14.848 0.937 3.769 1.00 0.74 C ATOM 974 C LYS A 69 -15.056 1.262 5.246 1.00 0.70 C ATOM 975 O LYS A 69 -15.681 2.268 5.579 1.00 0.84 O ATOM 976 CB LYS A 69 -15.654 -0.288 3.370 1.00 0.94 C ATOM 977 CG LYS A 69 -17.132 0.003 3.211 1.00 0.98 C ATOM 978 CD LYS A 69 -17.818 -1.045 2.362 1.00 1.81 C ATOM 979 CE LYS A 69 -18.090 -2.308 3.154 1.00 2.24 C ATOM 980 NZ LYS A 69 -19.167 -2.108 4.157 1.00 3.13 N ATOM 0 H LYS A 69 -13.177 -0.237 3.314 1.00 0.58 H new ATOM 0 HA LYS A 69 -15.200 1.793 3.193 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.264 -0.683 2.432 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -15.521 -1.065 4.123 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -17.603 0.042 4.193 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -17.263 0.984 2.755 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -18.757 -0.646 1.977 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -17.195 -1.282 1.500 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -18.372 -3.111 2.473 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -17.177 -2.624 3.659 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -19.524 -3.033 4.472 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -18.789 -1.586 4.973 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -19.944 -1.565 3.729 1.00 3.13 H new ATOM 994 N SER A 70 -14.509 0.439 6.130 1.00 0.59 N ATOM 995 CA SER A 70 -14.646 0.681 7.559 1.00 0.65 C ATOM 996 C SER A 70 -13.357 1.205 8.179 1.00 0.70 C ATOM 997 O SER A 70 -13.381 2.051 9.077 1.00 0.87 O ATOM 998 CB SER A 70 -15.079 -0.590 8.277 1.00 0.65 C ATOM 999 OG SER A 70 -16.389 -0.969 7.896 1.00 1.13 O ATOM 0 H SER A 70 -13.972 -0.393 5.887 1.00 0.59 H new ATOM 0 HA SER A 70 -15.411 1.448 7.679 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.382 -1.396 8.048 1.00 0.65 H new ATOM 0 HB3 SER A 70 -15.041 -0.433 9.355 1.00 0.65 H new ATOM 0 HG SER A 70 -16.643 -1.789 8.369 1.00 1.13 H new ATOM 1005 N GLY A 71 -12.230 0.693 7.697 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.946 1.055 8.258 1.00 0.73 C ATOM 1007 C GLY A 71 -10.756 0.478 9.647 1.00 0.69 C ATOM 1008 O GLY A 71 -9.842 0.866 10.372 1.00 0.76 O ATOM 0 H GLY A 71 -12.185 0.030 6.923 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -10.150 0.698 7.604 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.861 2.141 8.301 1.00 0.73 H new ATOM 1012 N ASN A 72 -11.606 -0.484 9.999 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.649 -1.016 11.360 1.00 0.68 C ATOM 1014 C ASN A 72 -10.480 -1.955 11.640 1.00 0.62 C ATOM 1015 O ASN A 72 -10.280 -2.390 12.774 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.992 -1.716 11.635 1.00 0.86 C ATOM 1017 CG ASN A 72 -13.285 -2.898 10.719 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -12.389 -3.638 10.315 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -14.553 -3.080 10.381 1.00 1.67 N ATOM 0 H ASN A 72 -12.276 -0.912 9.360 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.557 -0.170 12.041 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.003 -2.062 12.669 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -13.795 -0.986 11.535 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -14.811 -3.853 9.768 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -15.271 -2.447 10.734 1.00 1.67 H new ATOM 1026 N SER A 73 -9.700 -2.254 10.610 1.00 0.68 N ATOM 1027 CA SER A 73 -8.557 -3.142 10.755 1.00 0.70 C ATOM 1028 C SER A 73 -7.265 -2.340 10.885 1.00 0.61 C ATOM 1029 O SER A 73 -6.177 -2.910 10.948 1.00 0.64 O ATOM 1030 CB SER A 73 -8.474 -4.106 9.565 1.00 0.92 C ATOM 1031 OG SER A 73 -7.448 -5.068 9.742 1.00 1.74 O ATOM 0 H SER A 73 -9.839 -1.894 9.666 1.00 0.68 H new ATOM 0 HA SER A 73 -8.689 -3.726 11.665 1.00 0.70 H new ATOM 0 HB2 SER A 73 -9.431 -4.613 9.439 1.00 0.92 H new ATOM 0 HB3 SER A 73 -8.290 -3.541 8.651 1.00 0.92 H new ATOM 0 HG SER A 73 -6.737 -4.689 10.299 1.00 1.74 H new ATOM 1037 N SER A 74 -7.409 -1.011 10.918 1.00 0.56 N ATOM 1038 CA SER A 74 -6.276 -0.095 11.039 1.00 0.56 C ATOM 1039 C SER A 74 -5.326 -0.261 9.855 1.00 0.57 C ATOM 1040 O SER A 74 -4.371 -1.036 9.906 1.00 1.03 O ATOM 1041 CB SER A 74 -5.538 -0.319 12.366 1.00 0.67 C ATOM 1042 OG SER A 74 -4.563 0.686 12.599 1.00 1.30 O ATOM 0 H SER A 74 -8.314 -0.543 10.862 1.00 0.56 H new ATOM 0 HA SER A 74 -6.656 0.927 11.031 1.00 0.56 H new ATOM 0 HB2 SER A 74 -6.257 -0.326 13.186 1.00 0.67 H new ATOM 0 HB3 SER A 74 -5.057 -1.297 12.355 1.00 0.67 H new ATOM 0 HG SER A 74 -4.113 0.514 13.453 1.00 1.30 H new ATOM 1048 N THR A 75 -5.593 0.474 8.787 1.00 0.33 N ATOM 1049 CA THR A 75 -4.800 0.356 7.575 1.00 0.26 C ATOM 1050 C THR A 75 -3.585 1.278 7.633 1.00 0.25 C ATOM 1051 O THR A 75 -2.770 1.296 6.709 1.00 0.24 O ATOM 1052 CB THR A 75 -5.645 0.667 6.318 1.00 0.25 C ATOM 1053 OG1 THR A 75 -4.927 0.304 5.133 1.00 0.32 O ATOM 1054 CG2 THR A 75 -6.006 2.141 6.256 1.00 0.28 C ATOM 0 H THR A 75 -6.350 1.156 8.735 1.00 0.33 H new ATOM 0 HA THR A 75 -4.455 -0.676 7.506 1.00 0.26 H new ATOM 0 HB THR A 75 -6.563 0.082 6.381 1.00 0.25 H new ATOM 0 HG1 THR A 75 -4.091 0.814 5.088 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.600 2.333 5.363 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.583 2.412 7.140 1.00 0.28 H new ATOM 0 HG23 THR A 75 -5.094 2.738 6.221 1.00 0.28 H new ATOM 1062 N SER A 76 -3.481 2.046 8.720 1.00 0.27 N ATOM 1063 CA SER A 76 -2.348 2.947 8.963 1.00 0.29 C ATOM 1064 C SER A 76 -2.395 4.163 8.029 1.00 0.24 C ATOM 1065 O SER A 76 -2.152 5.295 8.452 1.00 0.29 O ATOM 1066 CB SER A 76 -1.018 2.190 8.820 1.00 0.35 C ATOM 1067 OG SER A 76 0.067 2.944 9.327 1.00 0.94 O ATOM 0 H SER A 76 -4.182 2.062 9.460 1.00 0.27 H new ATOM 0 HA SER A 76 -2.422 3.317 9.986 1.00 0.29 H new ATOM 0 HB2 SER A 76 -1.081 1.240 9.350 1.00 0.35 H new ATOM 0 HB3 SER A 76 -0.842 1.958 7.770 1.00 0.35 H new ATOM 0 HG SER A 76 0.897 2.434 9.222 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.714 3.926 6.764 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.877 4.996 5.797 1.00 0.15 C ATOM 1075 C ALA A 77 -4.196 5.704 6.014 1.00 0.16 C ATOM 1076 O ALA A 77 -5.251 5.079 5.966 1.00 0.24 O ATOM 1077 CB ALA A 77 -2.816 4.452 4.389 1.00 0.14 C ATOM 0 H ALA A 77 -2.866 2.992 6.384 1.00 0.17 H new ATOM 0 HA ALA A 77 -2.063 5.708 5.935 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -2.940 5.269 3.678 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -1.851 3.972 4.226 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.613 3.722 4.246 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.149 7.016 6.246 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.342 7.800 6.575 1.00 0.16 C ATOM 1085 C PRO A 78 -6.492 7.592 5.582 1.00 0.16 C ATOM 1086 O PRO A 78 -6.481 8.120 4.474 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.813 9.232 6.497 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.381 9.117 6.859 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.926 7.841 6.229 1.00 0.17 C ATOM 0 HA PRO A 78 -5.770 7.522 7.538 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -4.938 9.648 5.497 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.345 9.890 7.184 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.810 9.967 6.486 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.248 9.093 7.941 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.558 7.999 5.215 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.117 7.377 6.793 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.501 6.853 6.020 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.694 6.624 5.218 1.00 0.22 C ATOM 1099 C GLY A 79 -8.524 5.614 4.082 1.00 0.17 C ATOM 1100 O GLY A 79 -9.519 5.115 3.554 1.00 0.20 O ATOM 0 H GLY A 79 -7.517 6.399 6.933 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.494 6.280 5.874 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.017 7.575 4.794 1.00 0.22 H new ATOM 1104 N SER A 80 -7.290 5.291 3.716 1.00 0.17 N ATOM 1105 CA SER A 80 -7.023 4.521 2.495 1.00 0.14 C ATOM 1106 C SER A 80 -7.226 3.031 2.688 1.00 0.21 C ATOM 1107 O SER A 80 -7.620 2.566 3.751 1.00 0.49 O ATOM 1108 CB SER A 80 -5.598 4.775 2.014 1.00 0.18 C ATOM 1109 OG SER A 80 -5.469 4.484 0.631 1.00 0.58 O ATOM 0 H SER A 80 -6.455 5.547 4.243 1.00 0.17 H new ATOM 0 HA SER A 80 -7.741 4.860 1.748 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.328 5.815 2.197 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.902 4.160 2.585 1.00 0.18 H new ATOM 0 HG SER A 80 -6.314 4.679 0.175 1.00 0.58 H new ATOM 1115 N ALA A 81 -6.972 2.306 1.612 1.00 0.14 N ATOM 1116 CA ALA A 81 -7.097 0.872 1.587 1.00 0.17 C ATOM 1117 C ALA A 81 -5.739 0.235 1.357 1.00 0.17 C ATOM 1118 O ALA A 81 -5.624 -0.779 0.672 1.00 0.21 O ATOM 1119 CB ALA A 81 -8.067 0.474 0.488 1.00 0.21 C ATOM 0 H ALA A 81 -6.670 2.708 0.725 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.480 0.521 2.545 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -8.165 -0.611 0.465 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -9.041 0.922 0.683 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.692 0.825 -0.473 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.695 0.862 1.882 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.360 0.309 1.777 1.00 0.19 C ATOM 1127 C HIS A 82 -2.644 0.314 3.121 1.00 0.19 C ATOM 1128 O HIS A 82 -2.555 1.345 3.784 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.531 1.072 0.745 1.00 0.19 C ATOM 1130 CG HIS A 82 -2.935 0.833 -0.673 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.531 -0.268 -1.393 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.706 1.568 -1.515 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -3.031 -0.202 -2.612 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -3.749 0.899 -2.713 1.00 0.88 N ATOM 0 H HIS A 82 -4.750 1.749 2.382 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.467 -0.725 1.450 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.604 2.139 0.956 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.483 0.795 0.863 1.00 0.19 H new ATOM 0 HD2 HIS A 82 -4.194 2.504 -1.285 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -2.878 -0.929 -3.396 1.00 0.88 H new ATOM 0 HE2 HIS A 82 -4.254 1.204 -3.545 1.00 0.88 H new ATOM 1143 N GLN A 83 -2.136 -0.848 3.503 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.351 -1.006 4.719 1.00 0.25 C ATOM 1145 C GLN A 83 -0.208 -1.952 4.425 1.00 0.22 C ATOM 1146 O GLN A 83 -0.430 -3.085 4.056 1.00 0.20 O ATOM 1147 CB GLN A 83 -2.230 -1.558 5.852 1.00 0.34 C ATOM 1148 CG GLN A 83 -1.510 -1.759 7.183 1.00 0.74 C ATOM 1149 CD GLN A 83 -0.901 -3.144 7.332 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -1.407 -4.122 6.784 1.00 1.78 O ATOM 1151 NE2 GLN A 83 0.186 -3.236 8.081 1.00 2.09 N ATOM 0 H GLN A 83 -2.257 -1.713 2.976 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.959 -0.041 5.041 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -3.067 -0.877 6.007 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.650 -2.513 5.535 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -0.723 -1.011 7.279 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -2.213 -1.589 7.998 1.00 0.74 H new ATOM 0 HE21 GLN A 83 0.576 -2.401 8.519 1.00 2.09 H new ATOM 0 HE22 GLN A 83 0.634 -4.142 8.220 1.00 2.09 H new ATOM 1160 N ILE A 84 1.008 -1.493 4.581 1.00 0.23 N ATOM 1161 CA ILE A 84 2.152 -2.275 4.203 1.00 0.21 C ATOM 1162 C ILE A 84 2.702 -3.094 5.368 1.00 0.25 C ATOM 1163 O ILE A 84 2.878 -2.583 6.476 1.00 0.29 O ATOM 1164 CB ILE A 84 3.204 -1.332 3.619 1.00 0.24 C ATOM 1165 CG1 ILE A 84 2.844 -1.090 2.163 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.613 -1.885 3.764 1.00 0.29 C ATOM 1167 CD1 ILE A 84 2.947 0.351 1.729 1.00 0.20 C ATOM 0 H ILE A 84 1.229 -0.576 4.970 1.00 0.23 H new ATOM 0 HA ILE A 84 1.857 -3.006 3.450 1.00 0.21 H new ATOM 0 HB ILE A 84 3.202 -0.391 4.170 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.498 -1.694 1.534 1.00 0.21 H new ATOM 0 HG13 ILE A 84 1.825 -1.437 1.990 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.326 -1.181 3.335 1.00 0.29 H new ATOM 0 HG22 ILE A 84 4.839 -2.032 4.820 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.685 -2.839 3.241 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.673 0.435 0.677 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.272 0.961 2.329 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.970 0.700 1.866 1.00 0.20 H new ATOM 1179 N ASP A 85 2.959 -4.370 5.100 1.00 0.28 N ATOM 1180 CA ASP A 85 3.502 -5.278 6.102 1.00 0.32 C ATOM 1181 C ASP A 85 4.993 -5.073 6.208 1.00 0.38 C ATOM 1182 O ASP A 85 5.729 -5.372 5.278 1.00 0.37 O ATOM 1183 CB ASP A 85 3.231 -6.737 5.726 1.00 0.27 C ATOM 1184 CG ASP A 85 3.696 -7.707 6.794 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.936 -7.950 7.754 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.829 -8.227 6.681 1.00 0.54 O ATOM 0 H ASP A 85 2.798 -4.801 4.189 1.00 0.28 H new ATOM 0 HA ASP A 85 3.018 -5.064 7.055 1.00 0.32 H new ATOM 0 HB2 ASP A 85 2.163 -6.873 5.556 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.735 -6.967 4.787 1.00 0.27 H new ATOM 1191 N THR A 86 5.435 -4.563 7.330 1.00 0.49 N ATOM 1192 CA THR A 86 6.830 -4.243 7.511 1.00 0.58 C ATOM 1193 C THR A 86 7.625 -5.443 8.007 1.00 0.57 C ATOM 1194 O THR A 86 8.849 -5.482 7.891 1.00 0.63 O ATOM 1195 CB THR A 86 6.957 -3.064 8.469 1.00 0.75 C ATOM 1196 OG1 THR A 86 6.187 -3.313 9.654 1.00 0.81 O ATOM 1197 CG2 THR A 86 6.449 -1.814 7.781 1.00 0.82 C ATOM 0 H THR A 86 4.845 -4.359 8.137 1.00 0.49 H new ATOM 0 HA THR A 86 7.252 -3.967 6.544 1.00 0.58 H new ATOM 0 HB THR A 86 8.002 -2.931 8.750 1.00 0.75 H new ATOM 0 HG1 THR A 86 6.274 -2.553 10.266 1.00 0.81 H new ATOM 0 HG21 THR A 86 6.536 -0.965 8.459 1.00 0.82 H new ATOM 0 HG22 THR A 86 7.041 -1.625 6.885 1.00 0.82 H new ATOM 0 HG23 THR A 86 5.404 -1.951 7.503 1.00 0.82 H new ATOM 1205 N THR A 87 6.914 -6.424 8.538 1.00 0.52 N ATOM 1206 CA THR A 87 7.520 -7.666 8.978 1.00 0.54 C ATOM 1207 C THR A 87 8.212 -8.376 7.815 1.00 0.50 C ATOM 1208 O THR A 87 9.408 -8.674 7.873 1.00 0.54 O ATOM 1209 CB THR A 87 6.454 -8.595 9.587 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.848 -7.963 10.722 1.00 0.71 O ATOM 1211 CG2 THR A 87 7.062 -9.924 9.995 1.00 0.58 C ATOM 0 H THR A 87 5.904 -6.381 8.675 1.00 0.52 H new ATOM 0 HA THR A 87 8.265 -7.426 9.736 1.00 0.54 H new ATOM 0 HB THR A 87 5.692 -8.786 8.831 1.00 0.58 H new ATOM 0 HG1 THR A 87 5.170 -8.558 11.104 1.00 0.71 H new ATOM 0 HG21 THR A 87 6.288 -10.562 10.422 1.00 0.58 H new ATOM 0 HG22 THR A 87 7.492 -10.411 9.120 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.843 -9.755 10.736 1.00 0.58 H new ATOM 1219 N ASN A 88 7.454 -8.636 6.762 1.00 0.47 N ATOM 1220 CA ASN A 88 7.982 -9.307 5.582 1.00 0.53 C ATOM 1221 C ASN A 88 8.349 -8.293 4.515 1.00 0.52 C ATOM 1222 O ASN A 88 9.038 -8.610 3.545 1.00 0.64 O ATOM 1223 CB ASN A 88 6.955 -10.289 5.019 1.00 0.59 C ATOM 1224 CG ASN A 88 6.637 -11.418 5.975 1.00 0.76 C ATOM 1225 OD1 ASN A 88 7.292 -12.460 5.960 1.00 1.26 O ATOM 1226 ND2 ASN A 88 5.630 -11.222 6.814 1.00 1.50 N ATOM 0 H ASN A 88 6.466 -8.392 6.699 1.00 0.47 H new ATOM 0 HA ASN A 88 8.876 -9.856 5.877 1.00 0.53 H new ATOM 0 HB2 ASN A 88 6.037 -9.751 4.781 1.00 0.59 H new ATOM 0 HB3 ASN A 88 7.332 -10.705 4.085 1.00 0.59 H new ATOM 0 HD21 ASN A 88 5.372 -11.950 7.480 1.00 1.50 H new ATOM 0 HD22 ASN A 88 5.113 -10.343 6.793 1.00 1.50 H new ATOM 1233 N HIS A 89 7.844 -7.075 4.703 1.00 0.47 N ATOM 1234 CA HIS A 89 8.100 -5.953 3.807 1.00 0.53 C ATOM 1235 C HIS A 89 7.335 -6.141 2.511 1.00 0.43 C ATOM 1236 O HIS A 89 7.898 -6.156 1.416 1.00 0.45 O ATOM 1237 CB HIS A 89 9.593 -5.760 3.550 1.00 0.72 C ATOM 1238 CG HIS A 89 10.321 -5.187 4.723 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.388 -5.809 5.333 1.00 1.28 N ATOM 1240 CD2 HIS A 89 10.132 -4.029 5.389 1.00 0.96 C ATOM 1241 CE1 HIS A 89 11.821 -5.055 6.326 1.00 1.48 C ATOM 1242 NE2 HIS A 89 11.077 -3.967 6.382 1.00 1.26 N ATOM 0 H HIS A 89 7.240 -6.839 5.490 1.00 0.47 H new ATOM 0 HA HIS A 89 7.747 -5.043 4.292 1.00 0.53 H new ATOM 0 HB2 HIS A 89 10.037 -6.720 3.288 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.726 -5.102 2.691 1.00 0.72 H new ATOM 0 HD2 HIS A 89 9.376 -3.287 5.179 1.00 0.96 H new ATOM 0 HE1 HIS A 89 12.646 -5.289 6.982 1.00 1.48 H new ATOM 0 HE2 HIS A 89 11.186 -3.206 7.052 1.00 1.26 H new ATOM 1251 N LYS A 90 6.035 -6.292 2.672 1.00 0.35 N ATOM 1252 CA LYS A 90 5.119 -6.487 1.570 1.00 0.28 C ATOM 1253 C LYS A 90 4.203 -5.285 1.417 1.00 0.23 C ATOM 1254 O LYS A 90 3.877 -4.611 2.393 1.00 0.26 O ATOM 1255 CB LYS A 90 4.286 -7.732 1.845 1.00 0.30 C ATOM 1256 CG LYS A 90 4.893 -9.018 1.312 1.00 0.33 C ATOM 1257 CD LYS A 90 4.034 -10.218 1.672 1.00 0.32 C ATOM 1258 CE LYS A 90 3.778 -10.278 3.170 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.956 -11.457 3.551 1.00 0.44 N ATOM 0 H LYS A 90 5.581 -6.282 3.585 1.00 0.35 H new ATOM 0 HA LYS A 90 5.686 -6.606 0.647 1.00 0.28 H new ATOM 0 HB2 LYS A 90 4.143 -7.830 2.921 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.298 -7.599 1.403 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.997 -8.953 0.229 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.895 -9.148 1.721 1.00 0.33 H new ATOM 0 HD2 LYS A 90 3.085 -10.162 1.140 1.00 0.32 H new ATOM 0 HD3 LYS A 90 4.528 -11.134 1.347 1.00 0.32 H new ATOM 0 HE2 LYS A 90 4.730 -10.315 3.699 1.00 0.34 H new ATOM 0 HE3 LYS A 90 3.272 -9.366 3.488 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 2.806 -11.458 4.580 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 2.036 -11.410 3.067 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 3.449 -12.329 3.272 1.00 0.44 H new ATOM 1273 N LEU A 91 3.776 -5.038 0.196 1.00 0.20 N ATOM 1274 CA LEU A 91 2.809 -3.990 -0.071 1.00 0.17 C ATOM 1275 C LEU A 91 1.434 -4.616 0.020 1.00 0.14 C ATOM 1276 O LEU A 91 0.993 -5.289 -0.901 1.00 0.17 O ATOM 1277 CB LEU A 91 3.014 -3.413 -1.479 1.00 0.26 C ATOM 1278 CG LEU A 91 2.309 -2.087 -1.835 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.015 -1.870 -1.061 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.237 -0.926 -1.641 1.00 0.16 C ATOM 0 H LEU A 91 4.084 -5.550 -0.631 1.00 0.20 H new ATOM 0 HA LEU A 91 2.925 -3.178 0.647 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.084 -3.271 -1.628 1.00 0.26 H new ATOM 0 HB3 LEU A 91 2.689 -4.166 -2.197 1.00 0.26 H new ATOM 0 HG LEU A 91 2.034 -2.157 -2.888 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.569 -0.921 -1.357 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.320 -2.681 -1.279 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.229 -1.853 0.008 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.721 -0.001 -1.897 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.557 -0.886 -0.600 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.109 -1.045 -2.285 1.00 0.16 H new ATOM 1292 N ILE A 92 0.767 -4.382 1.123 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.561 -4.892 1.336 1.00 0.16 C ATOM 1294 C ILE A 92 -1.587 -3.804 1.105 1.00 0.17 C ATOM 1295 O ILE A 92 -1.345 -2.622 1.358 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.693 -5.448 2.770 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.080 -6.841 2.860 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.139 -5.463 3.262 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.413 -6.831 2.974 1.00 0.22 C ATOM 0 H ILE A 92 1.133 -3.831 1.899 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.742 -5.699 0.626 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.143 -4.773 3.426 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.499 -7.358 3.723 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.365 -7.412 1.977 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.174 -5.863 4.275 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.535 -4.447 3.259 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.741 -6.089 2.603 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.780 -7.856 3.034 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.841 -6.342 2.099 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.706 -6.288 3.872 1.00 0.22 H new ATOM 1311 N SER A 93 -2.713 -4.200 0.575 1.00 0.20 N ATOM 1312 CA SER A 93 -3.856 -3.338 0.538 1.00 0.26 C ATOM 1313 C SER A 93 -4.881 -3.897 1.501 1.00 0.37 C ATOM 1314 O SER A 93 -5.007 -5.107 1.623 1.00 0.61 O ATOM 1315 CB SER A 93 -4.393 -3.253 -0.879 1.00 0.40 C ATOM 1316 OG SER A 93 -3.317 -3.125 -1.801 1.00 1.41 O ATOM 0 H SER A 93 -2.860 -5.121 0.161 1.00 0.20 H new ATOM 0 HA SER A 93 -3.598 -2.323 0.839 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.976 -4.145 -1.110 1.00 0.40 H new ATOM 0 HB3 SER A 93 -5.065 -2.400 -0.971 1.00 0.40 H new ATOM 0 HG SER A 93 -2.852 -3.984 -1.882 1.00 1.41 H new ATOM 1322 N THR A 94 -5.565 -3.039 2.220 1.00 0.34 N ATOM 1323 CA THR A 94 -6.496 -3.493 3.224 1.00 0.38 C ATOM 1324 C THR A 94 -7.896 -2.974 2.957 1.00 0.42 C ATOM 1325 O THR A 94 -8.138 -1.770 2.938 1.00 0.49 O ATOM 1326 CB THR A 94 -6.030 -3.086 4.637 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.938 -3.922 5.047 1.00 0.45 O ATOM 1328 CG2 THR A 94 -7.169 -3.184 5.647 1.00 0.48 C ATOM 0 H THR A 94 -5.495 -2.026 2.129 1.00 0.34 H new ATOM 0 HA THR A 94 -6.525 -4.581 3.172 1.00 0.38 H new ATOM 0 HB THR A 94 -5.702 -2.047 4.601 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.644 -3.659 5.944 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.808 -2.891 6.633 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.980 -2.521 5.346 1.00 0.48 H new ATOM 0 HG23 THR A 94 -7.534 -4.210 5.685 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.797 -3.904 2.710 1.00 0.43 N ATOM 1337 CA PHE A 95 -10.204 -3.590 2.587 1.00 0.50 C ATOM 1338 C PHE A 95 -10.975 -4.253 3.692 1.00 0.53 C ATOM 1339 O PHE A 95 -11.069 -5.473 3.711 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.774 -4.100 1.287 1.00 0.55 C ATOM 1341 CG PHE A 95 -12.224 -3.740 1.101 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -13.234 -4.636 1.445 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -12.580 -2.496 0.605 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -14.562 -4.291 1.293 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -13.908 -2.151 0.450 1.00 1.13 C ATOM 1346 CZ PHE A 95 -14.899 -3.049 0.796 1.00 1.23 C ATOM 0 H PHE A 95 -8.575 -4.892 2.590 1.00 0.43 H new ATOM 0 HA PHE A 95 -10.292 -2.505 2.632 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -10.195 -3.693 0.458 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.666 -5.184 1.250 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.975 -5.610 1.834 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -11.810 -1.788 0.337 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -15.337 -4.993 1.563 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -14.172 -1.180 0.058 1.00 1.13 H new ATOM 0 HZ PHE A 95 -15.938 -2.779 0.677 1.00 1.23 H new ATOM 1356 N THR A 96 -11.555 -3.474 4.568 1.00 0.60 N ATOM 1357 CA THR A 96 -12.326 -4.021 5.648 1.00 0.69 C ATOM 1358 C THR A 96 -13.739 -4.338 5.203 1.00 0.86 C ATOM 1359 O THR A 96 -14.542 -3.441 4.932 1.00 1.02 O ATOM 1360 CB THR A 96 -12.375 -3.081 6.852 1.00 0.79 C ATOM 1361 OG1 THR A 96 -12.694 -1.751 6.435 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.043 -3.091 7.547 1.00 0.74 C ATOM 0 H THR A 96 -11.506 -2.455 4.552 1.00 0.60 H new ATOM 0 HA THR A 96 -11.826 -4.941 5.950 1.00 0.69 H new ATOM 0 HB THR A 96 -13.149 -3.424 7.538 1.00 0.79 H new ATOM 0 HG1 THR A 96 -12.951 -1.758 5.489 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.076 -2.421 8.406 1.00 0.74 H new ATOM 0 HG22 THR A 96 -10.816 -4.102 7.884 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.269 -2.757 6.856 1.00 0.74 H new ATOM 1440 N ALA A 103 -9.221 -8.474 5.772 1.00 0.76 N ATOM 1441 CA ALA A 103 -9.351 -7.492 4.715 1.00 0.61 C ATOM 1442 C ALA A 103 -8.863 -8.028 3.398 1.00 0.58 C ATOM 1443 O ALA A 103 -8.065 -8.966 3.324 1.00 0.64 O ATOM 1444 CB ALA A 103 -8.604 -6.227 5.087 1.00 0.52 C ATOM 0 HA ALA A 103 -10.410 -7.259 4.599 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.707 -5.495 4.286 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.018 -5.818 6.009 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -7.549 -6.457 5.234 1.00 0.52 H new ATOM 1450 N THR A 104 -9.380 -7.413 2.368 1.00 0.53 N ATOM 1451 CA THR A 104 -9.057 -7.738 1.010 1.00 0.50 C ATOM 1452 C THR A 104 -7.732 -7.085 0.646 1.00 0.43 C ATOM 1453 O THR A 104 -7.490 -5.931 1.003 1.00 0.51 O ATOM 1454 CB THR A 104 -10.194 -7.255 0.105 1.00 0.53 C ATOM 1455 OG1 THR A 104 -10.811 -8.362 -0.565 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.705 -6.246 -0.903 1.00 0.56 C ATOM 0 H THR A 104 -10.055 -6.653 2.456 1.00 0.53 H new ATOM 0 HA THR A 104 -8.950 -8.815 0.880 1.00 0.50 H new ATOM 0 HB THR A 104 -10.935 -6.768 0.739 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.704 -8.102 -0.872 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.537 -5.924 -1.529 1.00 0.56 H new ATOM 0 HG22 THR A 104 -9.288 -5.384 -0.382 1.00 0.56 H new ATOM 0 HG23 THR A 104 -8.935 -6.699 -1.528 1.00 0.56 H new ATOM 1464 N VAL A 105 -6.872 -7.825 -0.036 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.493 -7.409 -0.191 1.00 0.28 C ATOM 1466 C VAL A 105 -4.998 -7.477 -1.634 1.00 0.25 C ATOM 1467 O VAL A 105 -5.360 -8.368 -2.401 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.571 -8.268 0.697 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.127 -7.816 0.596 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.030 -8.235 2.148 1.00 0.35 C ATOM 0 H VAL A 105 -7.105 -8.710 -0.487 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.458 -6.364 0.117 1.00 0.28 H new ATOM 0 HB VAL A 105 -4.633 -9.294 0.334 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.504 -8.443 1.234 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -2.790 -7.902 -0.437 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.047 -6.778 0.918 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.364 -8.848 2.754 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.010 -7.208 2.513 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.046 -8.625 2.217 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.186 -6.491 -1.974 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.382 -6.484 -3.183 1.00 0.17 C ATOM 1482 C LEU A 106 -1.924 -6.399 -2.758 1.00 0.15 C ATOM 1483 O LEU A 106 -1.476 -5.340 -2.304 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.748 -5.285 -4.069 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.709 -5.569 -5.227 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.164 -6.675 -6.117 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.093 -5.933 -4.699 1.00 0.26 C ATOM 0 H LEU A 106 -4.065 -5.654 -1.404 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.563 -7.388 -3.764 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -4.191 -4.515 -3.437 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.828 -4.870 -4.481 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.800 -4.663 -5.827 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -4.861 -6.862 -6.934 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.200 -6.372 -6.525 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.039 -7.586 -5.531 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -6.762 -6.131 -5.537 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.021 -6.823 -4.074 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.487 -5.105 -4.109 1.00 0.26 H new ATOM 1499 N THR A 107 -1.196 -7.501 -2.885 1.00 0.15 N ATOM 1500 CA THR A 107 0.125 -7.615 -2.273 1.00 0.12 C ATOM 1501 C THR A 107 1.264 -7.489 -3.287 1.00 0.12 C ATOM 1502 O THR A 107 1.117 -7.818 -4.465 1.00 0.19 O ATOM 1503 CB THR A 107 0.278 -8.956 -1.525 1.00 0.17 C ATOM 1504 OG1 THR A 107 -0.914 -9.251 -0.792 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.463 -8.915 -0.562 1.00 0.24 C ATOM 0 H THR A 107 -1.495 -8.327 -3.404 1.00 0.15 H new ATOM 0 HA THR A 107 0.197 -6.783 -1.572 1.00 0.12 H new ATOM 0 HB THR A 107 0.455 -9.734 -2.268 1.00 0.17 H new ATOM 0 HG1 THR A 107 -0.807 -10.105 -0.323 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.548 -9.873 -0.048 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.379 -8.720 -1.120 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.309 -8.123 0.171 1.00 0.24 H new ATOM 1513 N TYR A 108 2.391 -6.983 -2.801 1.00 0.13 N ATOM 1514 CA TYR A 108 3.638 -6.941 -3.551 1.00 0.15 C ATOM 1515 C TYR A 108 4.790 -7.310 -2.626 1.00 0.17 C ATOM 1516 O TYR A 108 4.827 -6.883 -1.473 1.00 0.20 O ATOM 1517 CB TYR A 108 3.864 -5.550 -4.140 1.00 0.17 C ATOM 1518 CG TYR A 108 5.304 -5.236 -4.448 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.988 -4.334 -3.656 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.975 -5.822 -5.514 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.296 -4.013 -3.905 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.298 -5.510 -5.774 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.956 -4.603 -4.966 1.00 0.20 C ATOM 1524 OH TYR A 108 9.272 -4.287 -5.220 1.00 0.23 O ATOM 0 H TYR A 108 2.464 -6.586 -1.864 1.00 0.13 H new ATOM 0 HA TYR A 108 3.585 -7.655 -4.373 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.280 -5.456 -5.055 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.483 -4.806 -3.441 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.480 -3.872 -2.822 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.459 -6.529 -6.147 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.809 -3.302 -3.275 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.813 -5.973 -6.603 1.00 0.21 H new ATOM 0 HH TYR A 108 9.585 -4.790 -6.001 1.00 0.23 H new ATOM 1534 N ASP A 109 5.724 -8.088 -3.134 1.00 0.17 N ATOM 1535 CA ASP A 109 6.823 -8.587 -2.351 1.00 0.19 C ATOM 1536 C ASP A 109 8.116 -7.841 -2.671 1.00 0.23 C ATOM 1537 O ASP A 109 8.759 -8.088 -3.690 1.00 0.29 O ATOM 1538 CB ASP A 109 6.983 -10.085 -2.613 1.00 0.23 C ATOM 1539 CG ASP A 109 7.148 -10.442 -4.086 1.00 1.27 C ATOM 1540 OD1 ASP A 109 6.354 -9.944 -4.910 1.00 1.94 O ATOM 1541 OD2 ASP A 109 8.069 -11.218 -4.430 1.00 1.85 O ATOM 0 H ASP A 109 5.737 -8.390 -4.108 1.00 0.17 H new ATOM 0 HA ASP A 109 6.609 -8.422 -1.295 1.00 0.19 H new ATOM 0 HB2 ASP A 109 7.850 -10.449 -2.062 1.00 0.23 H new ATOM 0 HB3 ASP A 109 6.112 -10.608 -2.218 1.00 0.23 H new ATOM 1546 N TRP A 110 8.486 -6.909 -1.803 1.00 0.24 N ATOM 1547 CA TRP A 110 9.748 -6.196 -1.952 1.00 0.30 C ATOM 1548 C TRP A 110 10.904 -7.094 -1.528 1.00 0.43 C ATOM 1549 O TRP A 110 11.873 -7.274 -2.266 1.00 0.52 O ATOM 1550 CB TRP A 110 9.746 -4.898 -1.133 1.00 0.26 C ATOM 1551 CG TRP A 110 11.106 -4.278 -0.980 1.00 0.30 C ATOM 1552 CD1 TRP A 110 11.738 -3.462 -1.869 1.00 0.74 C ATOM 1553 CD2 TRP A 110 12.002 -4.427 0.133 1.00 1.13 C ATOM 1554 NE1 TRP A 110 12.967 -3.090 -1.377 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.151 -3.673 -0.150 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.940 -5.125 1.339 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.228 -3.598 0.732 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 13.007 -5.050 2.214 1.00 2.91 C ATOM 1559 CH2 TRP A 110 14.138 -4.291 1.909 1.00 2.54 C ATOM 0 H TRP A 110 7.934 -6.630 -0.992 1.00 0.24 H new ATOM 0 HA TRP A 110 9.873 -5.929 -3.001 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.080 -4.179 -1.610 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.337 -5.104 -0.144 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.333 -3.152 -2.821 1.00 0.74 H new ATOM 0 HE1 TRP A 110 13.634 -2.479 -1.849 1.00 0.47 H new ATOM 0 HE3 TRP A 110 11.070 -5.716 1.586 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.104 -3.013 0.495 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.965 -5.588 3.150 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.956 -4.250 2.613 1.00 2.54 H new ATOM 1570 N SER A 111 10.781 -7.662 -0.338 1.00 0.53 N ATOM 1571 CA SER A 111 11.820 -8.516 0.216 1.00 0.69 C ATOM 1572 C SER A 111 11.755 -9.903 -0.398 1.00 0.68 C ATOM 1573 O SER A 111 12.775 -10.590 -0.487 1.00 0.85 O ATOM 1574 CB SER A 111 11.676 -8.594 1.735 1.00 0.82 C ATOM 1575 OG SER A 111 12.800 -9.213 2.336 1.00 1.56 O ATOM 0 H SER A 111 9.967 -7.546 0.265 1.00 0.53 H new ATOM 0 HA SER A 111 12.792 -8.085 -0.023 1.00 0.69 H new ATOM 0 HB2 SER A 111 11.553 -7.590 2.141 1.00 0.82 H new ATOM 0 HB3 SER A 111 10.775 -9.153 1.987 1.00 0.82 H new ATOM 0 HG SER A 111 12.675 -9.245 3.308 1.00 1.56 H new