USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 923 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 44 THR OG1 : rot -163:sc= 0.217 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.557 K(o=-0.34,f=-4.9!) USER MOD Set 2.1: A 25 TYR OH : rot 27:sc= 0.387 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -1.66 K(o=-0.61,f=-7.2!) USER MOD Set 2.3: A 79 THR OG1 : rot 81:sc= 0.658 USER MOD Set 3.1: A 13 HIS : no HE2:sc= -2.1! C(o=-2.1!,f=-2.8!) USER MOD Set 3.2: A 43 ASN : amide:sc= 0 K(o=-2.1,f=-2.7) USER MOD Set 4.1: A 7 THR OG1 : rot -11:sc= 1.04 USER MOD Set 4.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 6 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 54 LYS NZ :NH3+ 145:sc= -0.136 (180deg=-1.6!) USER MOD Single : A 3 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.0068) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.61) USER MOD Single : A 11 THR OG1 : rot 62:sc= 1.14 USER MOD Single : A 12 GLN : amide:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 14 TYR OH : rot -7:sc= 0.238 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -172:sc= -0.658 (180deg=-0.753) USER MOD Single : A 36 THR OG1 : rot -78:sc= 0.103 USER MOD Single : A 37 SER OG : rot 56:sc= 0.0546 USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= 0.243 (180deg=-0.0452) USER MOD Single : A 49 ASN : amide:sc= -0.0349 K(o=-0.035,f=-0.55) USER MOD Single : A 52 SER OG : rot -6:sc= 0.712 USER MOD Single : A 59 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.32) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.175 K(o=-0.18,f=-2.9!) USER MOD Single : A 63 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.0017) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.52) USER MOD Single : A 72 SER OG : rot 170:sc= -0.0313 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0.083 (180deg=0.079) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 93:sc= 0.635 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 88:sc= 0.441 USER MOD Single : A 93 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.31) USER MOD Single : A 94 TYR OH : rot 4:sc= 0.19 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 109 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.015) USER MOD Single : A 114 HIS : no HD1:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 118 SER OG : rot -96:sc= 0.667 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 5.154 -4.862 2.333 1.00 0.00 N ATOM 33 CA ASN A 3 5.609 -5.135 3.660 1.00 0.00 C ATOM 34 C ASN A 3 5.472 -3.857 4.419 1.00 0.00 C ATOM 35 O ASN A 3 5.360 -3.853 5.645 1.00 0.00 O ATOM 36 CB ASN A 3 7.076 -5.605 3.696 1.00 0.00 C ATOM 37 CG ASN A 3 7.483 -5.999 5.107 1.00 0.00 C ATOM 38 OD1 ASN A 3 8.297 -5.326 5.754 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.910 -7.138 5.579 1.00 0.00 N ATOM 0 HA ASN A 3 5.019 -5.943 4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.207 -6.454 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.727 -4.809 3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.145 -7.479 6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.245 -7.652 5.001 1.00 0.00 H new ATOM 46 N SER A 4 5.482 -2.730 3.675 1.00 0.00 N ATOM 47 CA SER A 4 5.379 -1.420 4.247 1.00 0.00 C ATOM 48 C SER A 4 3.952 -0.981 4.316 1.00 0.00 C ATOM 49 O SER A 4 3.681 0.108 4.806 1.00 0.00 O ATOM 50 CB SER A 4 6.146 -0.362 3.438 1.00 0.00 C ATOM 51 OG SER A 4 7.510 -0.739 3.325 1.00 0.00 O ATOM 0 H SER A 4 5.563 -2.731 2.658 1.00 0.00 H new ATOM 0 HA SER A 4 5.814 -1.497 5.243 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.705 -0.258 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.067 0.610 3.925 1.00 0.00 H new ATOM 0 HG SER A 4 7.995 -0.063 2.807 1.00 0.00 H new ATOM 57 N ARG A 5 3.003 -1.807 3.825 1.00 0.00 N ATOM 58 CA ARG A 5 1.600 -1.502 3.886 1.00 0.00 C ATOM 59 C ARG A 5 1.154 -1.701 5.300 1.00 0.00 C ATOM 60 O ARG A 5 0.430 -0.867 5.856 1.00 0.00 O ATOM 61 CB ARG A 5 0.785 -2.416 2.955 1.00 0.00 C ATOM 62 CG ARG A 5 -0.724 -2.143 2.913 1.00 0.00 C ATOM 63 CD ARG A 5 -1.413 -2.998 1.848 1.00 0.00 C ATOM 64 NE ARG A 5 -2.884 -2.803 1.979 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.742 -3.518 1.192 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.255 -4.358 0.233 1.00 0.00 N ATOM 67 NH2 ARG A 5 -5.089 -3.392 1.368 1.00 0.00 N ATOM 0 H ARG A 5 3.212 -2.700 3.379 1.00 0.00 H new ATOM 0 HA ARG A 5 1.438 -0.474 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.181 -2.321 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.941 -3.450 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.161 -2.352 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.899 -1.088 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.078 -2.709 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.155 -4.049 1.978 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.251 -2.135 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.248 -4.453 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.898 -4.890 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.453 -2.765 2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.732 -3.925 0.782 1.00 0.00 H new ATOM 81 N TYR A 6 1.619 -2.820 5.903 1.00 0.00 N ATOM 82 CA TYR A 6 1.451 -3.131 7.268 1.00 0.00 C ATOM 83 C TYR A 6 2.033 -2.092 8.138 1.00 0.00 C ATOM 84 O TYR A 6 1.326 -1.629 9.020 1.00 0.00 O ATOM 85 CB TYR A 6 2.221 -4.418 7.409 1.00 0.00 C ATOM 86 CG TYR A 6 2.641 -4.792 8.762 1.00 0.00 C ATOM 87 CD1 TYR A 6 1.785 -4.855 9.833 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.913 -5.288 8.863 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.166 -5.503 10.975 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.320 -5.898 10.025 1.00 0.00 C ATOM 91 CZ TYR A 6 3.445 -6.008 11.090 1.00 0.00 C ATOM 92 OH TYR A 6 3.849 -6.627 12.289 1.00 0.00 O ATOM 0 H TYR A 6 2.138 -3.536 5.395 1.00 0.00 H new ATOM 0 HA TYR A 6 0.403 -3.203 7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.609 -5.226 7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.111 -4.352 6.783 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.811 -4.393 9.774 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.596 -5.200 8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.465 -5.620 11.788 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.323 -6.291 10.106 1.00 0.00 H new ATOM 0 HH TYR A 6 3.073 -7.042 12.721 1.00 0.00 H new ATOM 102 N THR A 7 3.311 -1.714 7.949 1.00 0.00 N ATOM 103 CA THR A 7 3.896 -0.738 8.821 1.00 0.00 C ATOM 104 C THR A 7 3.732 0.705 8.365 1.00 0.00 C ATOM 105 O THR A 7 4.303 1.615 8.953 1.00 0.00 O ATOM 106 CB THR A 7 5.204 -1.201 9.440 1.00 0.00 C ATOM 107 OG1 THR A 7 5.904 -0.187 10.149 1.00 0.00 O ATOM 108 CG2 THR A 7 6.123 -1.868 8.410 1.00 0.00 C ATOM 0 H THR A 7 3.925 -2.070 7.216 1.00 0.00 H new ATOM 0 HA THR A 7 3.278 -0.671 9.717 1.00 0.00 H new ATOM 0 HB THR A 7 4.909 -1.945 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.492 0.683 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.046 -2.183 8.896 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.622 -2.737 7.984 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.355 -1.158 7.616 1.00 0.00 H new ATOM 116 N HIS A 8 2.858 0.981 7.366 1.00 0.00 N ATOM 117 CA HIS A 8 2.275 2.298 7.211 1.00 0.00 C ATOM 118 C HIS A 8 1.115 2.406 8.149 1.00 0.00 C ATOM 119 O HIS A 8 0.922 3.443 8.791 1.00 0.00 O ATOM 120 CB HIS A 8 1.747 2.613 5.802 1.00 0.00 C ATOM 121 CG HIS A 8 2.851 2.856 4.818 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.628 2.927 3.470 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.174 3.063 5.017 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.785 3.163 2.869 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.741 3.250 3.785 1.00 0.00 N ATOM 0 H HIS A 8 2.555 0.300 6.669 1.00 0.00 H new ATOM 0 HA HIS A 8 3.078 3.006 7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.131 1.784 5.454 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.104 3.492 5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.686 3.078 5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.927 3.268 1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.729 3.426 3.603 1.00 0.00 H new ATOM 134 N PHE A 9 0.345 1.295 8.245 1.00 0.00 N ATOM 135 CA PHE A 9 -0.674 1.092 9.252 1.00 0.00 C ATOM 136 C PHE A 9 -0.051 1.195 10.632 1.00 0.00 C ATOM 137 O PHE A 9 -0.635 1.816 11.513 1.00 0.00 O ATOM 138 CB PHE A 9 -1.476 -0.220 9.024 1.00 0.00 C ATOM 139 CG PHE A 9 -2.013 -0.867 10.265 1.00 0.00 C ATOM 140 CD1 PHE A 9 -3.010 -0.253 11.007 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.596 -2.143 10.626 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.514 -0.856 12.138 1.00 0.00 C ATOM 143 CE2 PHE A 9 -2.169 -2.782 11.706 1.00 0.00 C ATOM 144 CZ PHE A 9 -3.095 -2.123 12.484 1.00 0.00 C ATOM 0 H PHE A 9 0.433 0.509 7.600 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.419 1.883 9.169 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.310 -0.005 8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.833 -0.935 8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.395 0.707 10.695 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.820 -2.636 10.059 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.236 -0.338 12.752 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.892 -3.799 11.941 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.494 -2.600 13.367 1.00 0.00 H new ATOM 154 N LEU A 10 1.154 0.619 10.850 1.00 0.00 N ATOM 155 CA LEU A 10 1.847 0.677 12.113 1.00 0.00 C ATOM 156 C LEU A 10 2.652 1.927 12.317 1.00 0.00 C ATOM 157 O LEU A 10 3.040 2.178 13.453 1.00 0.00 O ATOM 158 CB LEU A 10 2.775 -0.518 12.365 1.00 0.00 C ATOM 159 CG LEU A 10 2.072 -1.888 12.333 1.00 0.00 C ATOM 160 CD1 LEU A 10 2.983 -2.953 12.924 1.00 0.00 C ATOM 161 CD2 LEU A 10 0.746 -1.967 13.094 1.00 0.00 C ATOM 0 H LEU A 10 1.660 0.100 10.132 1.00 0.00 H new ATOM 0 HA LEU A 10 1.025 0.660 12.829 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.567 -0.512 11.616 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.254 -0.392 13.336 1.00 0.00 H new ATOM 0 HG LEU A 10 1.852 -2.048 11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.478 -3.919 12.898 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.903 -3.008 12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.221 -2.696 13.956 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.336 -2.973 13.007 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.915 -1.733 14.145 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.041 -1.251 12.672 1.00 0.00 H new ATOM 173 N THR A 11 2.918 2.750 11.273 1.00 0.00 N ATOM 174 CA THR A 11 3.458 4.071 11.504 1.00 0.00 C ATOM 175 C THR A 11 2.426 4.865 12.226 1.00 0.00 C ATOM 176 O THR A 11 2.705 5.434 13.282 1.00 0.00 O ATOM 177 CB THR A 11 3.905 4.827 10.265 1.00 0.00 C ATOM 178 OG1 THR A 11 5.048 4.193 9.717 1.00 0.00 O ATOM 179 CG2 THR A 11 4.298 6.284 10.584 1.00 0.00 C ATOM 0 H THR A 11 2.765 2.511 10.293 1.00 0.00 H new ATOM 0 HA THR A 11 4.371 3.932 12.084 1.00 0.00 H new ATOM 0 HB THR A 11 3.066 4.828 9.569 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.816 3.282 9.440 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.611 6.785 9.668 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.442 6.807 11.010 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.120 6.291 11.300 1.00 0.00 H new ATOM 187 N GLN A 12 1.209 4.908 11.661 1.00 0.00 N ATOM 188 CA GLN A 12 0.193 5.771 12.190 1.00 0.00 C ATOM 189 C GLN A 12 -0.535 5.219 13.375 1.00 0.00 C ATOM 190 O GLN A 12 -1.167 5.997 14.084 1.00 0.00 O ATOM 191 CB GLN A 12 -0.763 6.282 11.098 1.00 0.00 C ATOM 192 CG GLN A 12 -1.760 5.261 10.547 1.00 0.00 C ATOM 193 CD GLN A 12 -2.571 5.936 9.441 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.787 6.115 9.574 1.00 0.00 O ATOM 195 NE2 GLN A 12 -1.868 6.316 8.333 1.00 0.00 N ATOM 0 H GLN A 12 0.927 4.356 10.851 1.00 0.00 H new ATOM 0 HA GLN A 12 0.733 6.635 12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.323 7.127 11.500 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.166 6.661 10.269 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.235 4.390 10.156 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.419 4.907 11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.864 6.141 8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.347 6.775 7.558 1.00 0.00 H new ATOM 204 N HIS A 13 -0.459 3.894 13.631 1.00 0.00 N ATOM 205 CA HIS A 13 -1.119 3.316 14.766 1.00 0.00 C ATOM 206 C HIS A 13 -0.130 2.849 15.785 1.00 0.00 C ATOM 207 O HIS A 13 -0.243 3.243 16.938 1.00 0.00 O ATOM 208 CB HIS A 13 -2.076 2.168 14.420 1.00 0.00 C ATOM 209 CG HIS A 13 -3.250 2.663 13.632 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.435 3.008 14.218 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.355 2.960 12.319 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.242 3.488 13.283 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.612 3.466 12.119 1.00 0.00 N ATOM 0 H HIS A 13 0.056 3.228 13.055 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.728 4.121 15.176 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.545 1.408 13.848 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.424 1.692 15.337 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.660 2.912 15.208 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.591 2.824 11.568 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.250 3.840 13.444 1.00 0.00 H new ATOM 222 N TYR A 14 0.844 1.987 15.425 1.00 0.00 N ATOM 223 CA TYR A 14 1.645 1.339 16.435 1.00 0.00 C ATOM 224 C TYR A 14 2.650 2.317 16.971 1.00 0.00 C ATOM 225 O TYR A 14 3.458 2.883 16.237 1.00 0.00 O ATOM 226 CB TYR A 14 2.378 0.106 15.905 1.00 0.00 C ATOM 227 CG TYR A 14 3.304 -0.547 16.866 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.896 -1.063 18.079 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.602 -0.750 16.450 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.786 -1.757 18.873 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.500 -1.416 17.253 1.00 0.00 C ATOM 232 CZ TYR A 14 5.092 -1.920 18.468 1.00 0.00 C ATOM 233 OH TYR A 14 6.009 -2.616 19.283 1.00 0.00 O ATOM 0 H TYR A 14 1.076 1.741 14.463 1.00 0.00 H new ATOM 0 HA TYR A 14 0.968 1.004 17.221 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.637 -0.627 15.585 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.944 0.394 15.019 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.877 -0.923 18.408 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.918 -0.383 15.485 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.458 -2.173 19.814 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.523 -1.543 16.931 1.00 0.00 H new ATOM 0 HH TYR A 14 5.594 -2.813 20.148 1.00 0.00 H new ATOM 243 N ASP A 15 2.588 2.524 18.295 1.00 0.00 N ATOM 244 CA ASP A 15 3.480 3.378 19.003 1.00 0.00 C ATOM 245 C ASP A 15 3.778 2.540 20.188 1.00 0.00 C ATOM 246 O ASP A 15 2.982 2.491 21.119 1.00 0.00 O ATOM 247 CB ASP A 15 2.871 4.717 19.465 1.00 0.00 C ATOM 248 CG ASP A 15 3.930 5.429 20.300 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.012 5.747 19.737 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.674 5.666 21.509 1.00 0.00 O ATOM 0 H ASP A 15 1.891 2.080 18.893 1.00 0.00 H new ATOM 0 HA ASP A 15 4.324 3.683 18.384 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.584 5.325 18.607 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.968 4.547 20.052 1.00 0.00 H new ATOM 255 N ALA A 16 4.924 1.838 20.121 1.00 0.00 N ATOM 256 CA ALA A 16 5.343 0.750 20.975 1.00 0.00 C ATOM 257 C ALA A 16 5.151 0.899 22.452 1.00 0.00 C ATOM 258 O ALA A 16 4.782 -0.069 23.113 1.00 0.00 O ATOM 259 CB ALA A 16 6.797 0.339 20.719 1.00 0.00 C ATOM 0 H ALA A 16 5.623 2.045 19.408 1.00 0.00 H new ATOM 0 HA ALA A 16 4.639 -0.025 20.672 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.066 -0.482 21.384 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.907 0.017 19.683 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.454 1.188 20.907 1.00 0.00 H new ATOM 265 N LYS A 17 5.371 2.106 23.000 1.00 0.00 N ATOM 266 CA LYS A 17 4.917 2.381 24.333 1.00 0.00 C ATOM 267 C LYS A 17 4.827 3.885 24.444 1.00 0.00 C ATOM 268 O LYS A 17 5.717 4.563 23.930 1.00 0.00 O ATOM 269 CB LYS A 17 5.889 1.874 25.427 1.00 0.00 C ATOM 270 CG LYS A 17 5.330 1.948 26.856 1.00 0.00 C ATOM 271 CD LYS A 17 6.273 1.330 27.896 1.00 0.00 C ATOM 272 CE LYS A 17 5.710 1.404 29.317 1.00 0.00 C ATOM 273 NZ LYS A 17 6.656 0.791 30.275 1.00 0.00 N ATOM 0 H LYS A 17 5.851 2.877 22.537 1.00 0.00 H new ATOM 0 HA LYS A 17 3.968 1.870 24.493 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.156 0.840 25.208 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.808 2.458 25.379 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.144 2.990 27.115 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.369 1.434 26.893 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.461 0.288 27.637 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.233 1.845 27.862 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.528 2.443 29.590 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.750 0.889 29.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.262 0.848 31.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.809 -0.206 30.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.562 1.300 30.242 1.00 0.00 H new ATOM 287 N PRO A 18 3.811 4.434 25.106 1.00 0.00 N ATOM 288 CA PRO A 18 3.616 5.854 25.193 1.00 0.00 C ATOM 289 C PRO A 18 4.588 6.543 26.101 1.00 0.00 C ATOM 290 O PRO A 18 5.373 5.895 26.794 1.00 0.00 O ATOM 291 CB PRO A 18 2.255 5.996 25.864 1.00 0.00 C ATOM 292 CG PRO A 18 1.462 4.763 25.465 1.00 0.00 C ATOM 293 CD PRO A 18 2.536 3.754 25.082 1.00 0.00 C ATOM 0 HA PRO A 18 3.725 6.292 24.201 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.359 6.060 26.947 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.752 6.906 25.538 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.846 4.400 26.287 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.791 4.970 24.631 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.537 2.915 25.778 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.340 3.345 24.091 1.00 0.00 H new ATOM 301 N GLN A 19 4.472 7.888 26.123 1.00 0.00 N ATOM 302 CA GLN A 19 5.132 8.744 27.066 1.00 0.00 C ATOM 303 C GLN A 19 4.427 8.560 28.373 1.00 0.00 C ATOM 304 O GLN A 19 4.934 7.912 29.287 1.00 0.00 O ATOM 305 CB GLN A 19 5.062 10.227 26.644 1.00 0.00 C ATOM 306 CG GLN A 19 5.767 10.500 25.310 1.00 0.00 C ATOM 307 CD GLN A 19 5.599 11.983 24.977 1.00 0.00 C ATOM 308 OE1 GLN A 19 4.486 12.519 24.984 1.00 0.00 O ATOM 309 NE2 GLN A 19 6.755 12.648 24.674 1.00 0.00 N ATOM 0 H GLN A 19 3.894 8.399 25.456 1.00 0.00 H new ATOM 0 HA GLN A 19 6.189 8.483 27.128 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.017 10.529 26.566 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.514 10.843 27.421 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.824 10.243 25.379 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.339 9.882 24.520 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.646 12.152 24.685 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.726 13.640 24.438 1.00 0.00 H new ATOM 318 N GLY A 20 3.208 9.119 28.449 1.00 0.00 N ATOM 319 CA GLY A 20 2.245 8.770 29.452 1.00 0.00 C ATOM 320 C GLY A 20 1.064 8.400 28.644 1.00 0.00 C ATOM 321 O GLY A 20 1.125 8.401 27.422 1.00 0.00 O ATOM 0 H GLY A 20 2.880 9.832 27.798 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.587 7.942 30.073 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.034 9.605 30.121 1.00 0.00 H new ATOM 325 N ARG A 21 -0.049 8.084 29.318 1.00 0.00 N ATOM 326 CA ARG A 21 -1.263 7.717 28.640 1.00 0.00 C ATOM 327 C ARG A 21 -2.244 8.785 28.968 1.00 0.00 C ATOM 328 O ARG A 21 -3.161 8.586 29.763 1.00 0.00 O ATOM 329 CB ARG A 21 -1.792 6.331 29.053 1.00 0.00 C ATOM 330 CG ARG A 21 -0.932 5.208 28.450 1.00 0.00 C ATOM 331 CD ARG A 21 -1.176 3.823 29.052 1.00 0.00 C ATOM 332 NE ARG A 21 -2.612 3.459 28.871 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.183 2.471 29.621 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.442 1.780 30.536 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.504 2.168 29.458 1.00 0.00 N ATOM 0 H ARG A 21 -0.117 8.080 30.336 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.085 7.635 27.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.794 6.248 30.140 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.825 6.219 28.723 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.120 5.161 27.377 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.119 5.465 28.579 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.537 3.085 28.568 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.918 3.822 30.111 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.174 3.954 28.179 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.454 2.000 30.663 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.876 1.043 31.092 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.064 2.680 28.776 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.931 1.430 30.018 1.00 0.00 H new ATOM 349 N ASP A 22 -2.031 9.968 28.355 1.00 0.00 N ATOM 350 CA ASP A 22 -2.786 11.136 28.686 1.00 0.00 C ATOM 351 C ASP A 22 -2.923 11.963 27.449 1.00 0.00 C ATOM 352 O ASP A 22 -2.448 11.591 26.374 1.00 0.00 O ATOM 353 CB ASP A 22 -2.167 11.972 29.832 1.00 0.00 C ATOM 354 CG ASP A 22 -0.827 12.596 29.447 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.130 11.849 29.113 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.741 13.852 29.512 1.00 0.00 O ATOM 0 H ASP A 22 -1.331 10.113 27.627 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.759 10.814 29.057 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.862 12.761 30.117 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.030 11.337 30.707 1.00 0.00 H new ATOM 361 N ASP A 23 -3.605 13.120 27.594 1.00 0.00 N ATOM 362 CA ASP A 23 -3.992 13.983 26.512 1.00 0.00 C ATOM 363 C ASP A 23 -2.830 14.703 25.897 1.00 0.00 C ATOM 364 O ASP A 23 -2.921 15.137 24.752 1.00 0.00 O ATOM 365 CB ASP A 23 -5.041 15.042 26.925 1.00 0.00 C ATOM 366 CG ASP A 23 -4.500 15.993 27.991 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.290 15.547 29.151 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.308 17.193 27.658 1.00 0.00 O ATOM 0 H ASP A 23 -3.900 13.469 28.506 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.432 13.305 25.780 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.344 15.614 26.048 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.933 14.542 27.303 1.00 0.00 H new ATOM 373 N ARG A 24 -1.708 14.838 26.642 1.00 0.00 N ATOM 374 CA ARG A 24 -0.538 15.513 26.167 1.00 0.00 C ATOM 375 C ARG A 24 0.347 14.531 25.455 1.00 0.00 C ATOM 376 O ARG A 24 1.237 14.938 24.710 1.00 0.00 O ATOM 377 CB ARG A 24 0.234 16.205 27.313 1.00 0.00 C ATOM 378 CG ARG A 24 1.299 17.241 26.897 1.00 0.00 C ATOM 379 CD ARG A 24 0.803 18.346 25.953 1.00 0.00 C ATOM 380 NE ARG A 24 -0.413 18.974 26.546 1.00 0.00 N ATOM 381 CZ ARG A 24 -1.182 19.835 25.816 1.00 0.00 C ATOM 382 NH1 ARG A 24 -0.806 20.195 24.554 1.00 0.00 N ATOM 383 NH2 ARG A 24 -2.336 20.332 26.350 1.00 0.00 N ATOM 0 H ARG A 24 -1.616 14.471 27.589 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.852 16.295 25.476 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.489 16.700 27.961 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.722 15.434 27.910 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.700 17.707 27.797 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.124 16.717 26.415 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.581 19.095 25.807 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.573 17.930 24.972 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.673 18.758 27.508 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.053 19.821 24.152 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.384 20.838 24.014 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.621 20.060 27.291 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.913 20.975 25.808 1.00 0.00 H new ATOM 397 N TYR A 25 0.108 13.211 25.644 1.00 0.00 N ATOM 398 CA TYR A 25 0.779 12.203 24.869 1.00 0.00 C ATOM 399 C TYR A 25 0.098 12.131 23.546 1.00 0.00 C ATOM 400 O TYR A 25 0.777 11.966 22.537 1.00 0.00 O ATOM 401 CB TYR A 25 0.796 10.808 25.530 1.00 0.00 C ATOM 402 CG TYR A 25 0.848 9.683 24.532 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.985 9.384 23.792 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.283 8.902 24.358 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.966 8.365 22.860 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.300 7.885 23.427 1.00 0.00 C ATOM 407 CZ TYR A 25 0.821 7.619 22.675 1.00 0.00 C ATOM 408 OH TYR A 25 0.786 6.585 21.720 1.00 0.00 O ATOM 0 H TYR A 25 -0.549 12.845 26.333 1.00 0.00 H new ATOM 0 HA TYR A 25 1.826 12.491 24.778 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.658 10.737 26.194 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.094 10.695 26.150 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.890 9.952 23.947 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.161 9.092 24.958 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.849 8.152 22.275 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.195 7.296 23.288 1.00 0.00 H new ATOM 0 HH TYR A 25 1.691 6.233 21.586 1.00 0.00 H new ATOM 418 N CYS A 26 -1.251 12.247 23.519 1.00 0.00 N ATOM 419 CA CYS A 26 -1.987 12.200 22.282 1.00 0.00 C ATOM 420 C CYS A 26 -1.744 13.398 21.417 1.00 0.00 C ATOM 421 O CYS A 26 -1.730 13.283 20.191 1.00 0.00 O ATOM 422 CB CYS A 26 -3.500 12.131 22.464 1.00 0.00 C ATOM 423 SG CYS A 26 -4.071 10.487 22.933 1.00 0.00 S ATOM 0 H CYS A 26 -1.829 12.373 24.350 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.617 11.286 21.817 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.803 12.848 23.227 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.987 12.429 21.536 1.00 0.00 H new ATOM 428 N GLU A 27 -1.547 14.570 22.054 1.00 0.00 N ATOM 429 CA GLU A 27 -1.192 15.789 21.382 1.00 0.00 C ATOM 430 C GLU A 27 0.178 15.661 20.804 1.00 0.00 C ATOM 431 O GLU A 27 0.392 16.037 19.654 1.00 0.00 O ATOM 432 CB GLU A 27 -1.159 17.011 22.318 1.00 0.00 C ATOM 433 CG GLU A 27 -2.545 17.565 22.660 1.00 0.00 C ATOM 434 CD GLU A 27 -2.902 18.622 21.627 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.942 18.284 20.415 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.133 19.791 22.038 1.00 0.00 O ATOM 0 H GLU A 27 -1.637 14.674 23.065 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.957 15.944 20.621 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.650 16.736 23.242 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.568 17.799 21.851 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.285 16.765 22.657 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.546 17.996 23.661 1.00 0.00 H new ATOM 443 N SER A 28 1.128 15.115 21.597 1.00 0.00 N ATOM 444 CA SER A 28 2.501 14.969 21.200 1.00 0.00 C ATOM 445 C SER A 28 2.668 14.029 20.052 1.00 0.00 C ATOM 446 O SER A 28 3.526 14.262 19.205 1.00 0.00 O ATOM 447 CB SER A 28 3.407 14.473 22.341 1.00 0.00 C ATOM 448 OG SER A 28 4.758 14.385 21.913 1.00 0.00 O ATOM 0 H SER A 28 0.936 14.767 22.536 1.00 0.00 H new ATOM 0 HA SER A 28 2.803 15.974 20.906 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.334 15.152 23.190 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.065 13.496 22.684 1.00 0.00 H new ATOM 0 HG SER A 28 5.316 14.069 22.654 1.00 0.00 H new ATOM 454 N ILE A 29 1.851 12.957 19.997 1.00 0.00 N ATOM 455 CA ILE A 29 2.001 11.952 18.984 1.00 0.00 C ATOM 456 C ILE A 29 1.317 12.334 17.712 1.00 0.00 C ATOM 457 O ILE A 29 1.781 11.941 16.649 1.00 0.00 O ATOM 458 CB ILE A 29 1.727 10.517 19.413 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.275 9.529 18.363 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.239 10.254 19.716 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.513 8.135 18.919 1.00 0.00 C ATOM 0 H ILE A 29 1.088 12.786 20.652 1.00 0.00 H new ATOM 0 HA ILE A 29 3.073 11.932 18.787 1.00 0.00 H new ATOM 0 HB ILE A 29 2.255 10.356 20.353 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.573 9.466 17.531 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.211 9.918 17.962 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.107 9.215 20.016 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.089 10.909 20.523 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.355 10.452 18.823 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.898 7.489 18.130 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.237 8.186 19.732 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.574 7.728 19.295 1.00 0.00 H new ATOM 473 N MET A 30 0.230 13.133 17.750 1.00 0.00 N ATOM 474 CA MET A 30 -0.335 13.553 16.494 1.00 0.00 C ATOM 475 C MET A 30 0.443 14.684 15.885 1.00 0.00 C ATOM 476 O MET A 30 0.385 14.863 14.671 1.00 0.00 O ATOM 477 CB MET A 30 -1.813 13.960 16.493 1.00 0.00 C ATOM 478 CG MET A 30 -2.753 12.792 16.177 1.00 0.00 C ATOM 479 SD MET A 30 -3.449 11.958 17.620 1.00 0.00 S ATOM 480 CE MET A 30 -4.680 11.138 16.564 1.00 0.00 C ATOM 0 H MET A 30 -0.236 13.472 18.592 1.00 0.00 H new ATOM 0 HA MET A 30 -0.267 12.637 15.907 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.071 14.374 17.468 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.966 14.752 15.760 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.572 13.162 15.560 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.210 12.060 15.580 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.405 10.616 17.188 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.194 11.884 15.958 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.180 10.422 15.912 1.00 0.00 H new ATOM 490 N ARG A 31 1.191 15.474 16.690 1.00 0.00 N ATOM 491 CA ARG A 31 2.032 16.507 16.139 1.00 0.00 C ATOM 492 C ARG A 31 3.316 15.931 15.605 1.00 0.00 C ATOM 493 O ARG A 31 3.862 16.458 14.636 1.00 0.00 O ATOM 494 CB ARG A 31 2.416 17.625 17.131 1.00 0.00 C ATOM 495 CG ARG A 31 1.442 18.819 17.147 1.00 0.00 C ATOM 496 CD ARG A 31 0.090 18.549 17.817 1.00 0.00 C ATOM 497 NE ARG A 31 -0.781 19.749 17.634 1.00 0.00 N ATOM 498 CZ ARG A 31 -0.927 20.704 18.601 1.00 0.00 C ATOM 499 NH1 ARG A 31 -0.268 20.613 19.792 1.00 0.00 N ATOM 500 NH2 ARG A 31 -1.750 21.770 18.369 1.00 0.00 N ATOM 0 H ARG A 31 1.215 15.401 17.707 1.00 0.00 H new ATOM 0 HA ARG A 31 1.422 16.948 15.351 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.471 17.202 18.134 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.414 17.988 16.883 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.923 19.653 17.658 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.263 19.136 16.119 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.381 17.669 17.378 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.228 18.340 18.878 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.286 19.860 16.755 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.348 19.821 19.975 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.391 21.337 20.500 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.247 21.847 17.482 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.867 22.489 19.083 1.00 0.00 H new ATOM 514 N ARG A 32 3.837 14.852 16.236 1.00 0.00 N ATOM 515 CA ARG A 32 5.111 14.271 15.891 1.00 0.00 C ATOM 516 C ARG A 32 4.971 13.413 14.673 1.00 0.00 C ATOM 517 O ARG A 32 5.784 13.508 13.754 1.00 0.00 O ATOM 518 CB ARG A 32 5.700 13.437 17.055 1.00 0.00 C ATOM 519 CG ARG A 32 7.092 12.815 16.830 1.00 0.00 C ATOM 520 CD ARG A 32 7.059 11.333 16.427 1.00 0.00 C ATOM 521 NE ARG A 32 8.461 10.819 16.358 1.00 0.00 N ATOM 522 CZ ARG A 32 9.053 10.159 17.398 1.00 0.00 C ATOM 523 NH1 ARG A 32 8.397 9.974 18.580 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.324 9.680 17.251 1.00 0.00 N ATOM 0 H ARG A 32 3.364 14.373 17.002 1.00 0.00 H new ATOM 0 HA ARG A 32 5.800 15.090 15.686 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.752 14.075 17.938 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.001 12.632 17.284 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.609 13.380 16.055 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.677 12.919 17.744 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.482 10.758 17.151 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.566 11.216 15.462 1.00 0.00 H new ATOM 0 HE ARG A 32 8.996 10.966 15.502 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.449 10.331 18.698 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.855 9.479 19.345 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.822 9.816 16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.775 9.186 18.021 1.00 0.00 H new ATOM 538 N ARG A 33 3.943 12.534 14.665 1.00 0.00 N ATOM 539 CA ARG A 33 3.730 11.567 13.623 1.00 0.00 C ATOM 540 C ARG A 33 3.147 12.268 12.433 1.00 0.00 C ATOM 541 O ARG A 33 3.413 11.899 11.290 1.00 0.00 O ATOM 542 CB ARG A 33 2.760 10.453 14.076 1.00 0.00 C ATOM 543 CG ARG A 33 3.032 9.043 13.531 1.00 0.00 C ATOM 544 CD ARG A 33 4.346 8.408 14.017 1.00 0.00 C ATOM 545 NE ARG A 33 4.416 8.421 15.506 1.00 0.00 N ATOM 546 CZ ARG A 33 5.519 7.920 16.135 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.533 7.367 15.407 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.620 7.985 17.495 1.00 0.00 N ATOM 0 H ARG A 33 3.241 12.496 15.404 1.00 0.00 H new ATOM 0 HA ARG A 33 4.686 11.105 13.376 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.778 10.407 15.165 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.750 10.742 13.786 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.204 8.393 13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.046 9.086 12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.417 7.383 13.653 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.194 8.953 13.603 1.00 0.00 H new ATOM 0 HE ARG A 33 3.644 8.802 16.052 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.468 7.327 14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.356 6.994 15.880 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.871 8.408 18.042 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.445 7.610 17.964 1.00 0.00 H new ATOM 562 N GLY A 34 2.352 13.323 12.709 1.00 0.00 N ATOM 563 CA GLY A 34 1.802 14.202 11.721 1.00 0.00 C ATOM 564 C GLY A 34 0.582 13.590 11.158 1.00 0.00 C ATOM 565 O GLY A 34 0.514 13.269 9.972 1.00 0.00 O ATOM 0 H GLY A 34 2.082 13.572 13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.567 15.169 12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.531 14.384 10.931 1.00 0.00 H new ATOM 569 N LEU A 35 -0.437 13.480 12.029 1.00 0.00 N ATOM 570 CA LEU A 35 -1.782 13.263 11.609 1.00 0.00 C ATOM 571 C LEU A 35 -2.481 14.519 12.006 1.00 0.00 C ATOM 572 O LEU A 35 -3.666 14.495 12.328 1.00 0.00 O ATOM 573 CB LEU A 35 -2.497 12.113 12.336 1.00 0.00 C ATOM 574 CG LEU A 35 -1.775 10.746 12.311 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.548 9.716 13.154 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.557 10.226 10.877 1.00 0.00 C ATOM 0 H LEU A 35 -0.323 13.543 13.041 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.792 13.010 10.549 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.647 12.404 13.376 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.485 11.988 11.894 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.787 10.892 12.749 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.027 8.759 13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.613 10.064 14.185 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.552 9.594 12.749 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.047 9.264 10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.521 10.107 10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.949 10.939 10.320 1.00 0.00 H new ATOM 588 N THR A 36 -1.738 15.653 11.989 1.00 0.00 N ATOM 589 CA THR A 36 -2.289 16.956 12.271 1.00 0.00 C ATOM 590 C THR A 36 -2.547 17.651 10.977 1.00 0.00 C ATOM 591 O THR A 36 -2.995 18.795 10.956 1.00 0.00 O ATOM 592 CB THR A 36 -1.382 17.838 13.083 1.00 0.00 C ATOM 593 OG1 THR A 36 -0.027 17.493 12.836 1.00 0.00 O ATOM 594 CG2 THR A 36 -1.725 17.654 14.569 1.00 0.00 C ATOM 0 H THR A 36 -0.740 15.665 11.776 1.00 0.00 H new ATOM 0 HA THR A 36 -3.195 16.789 12.854 1.00 0.00 H new ATOM 0 HB THR A 36 -1.522 18.882 12.804 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.202 16.685 13.342 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.076 18.287 15.173 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.765 17.933 14.740 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.578 16.611 14.850 1.00 0.00 H new ATOM 602 N SER A 37 -2.287 16.950 9.857 1.00 0.00 N ATOM 603 CA SER A 37 -2.484 17.489 8.550 1.00 0.00 C ATOM 604 C SER A 37 -3.395 16.575 7.770 1.00 0.00 C ATOM 605 O SER A 37 -2.899 15.634 7.150 1.00 0.00 O ATOM 606 CB SER A 37 -1.131 17.570 7.830 1.00 0.00 C ATOM 607 OG SER A 37 -0.314 16.463 8.186 1.00 0.00 O ATOM 0 H SER A 37 -1.934 15.993 9.862 1.00 0.00 H new ATOM 0 HA SER A 37 -2.927 18.482 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.286 17.584 6.751 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.628 18.501 8.092 1.00 0.00 H new ATOM 0 HG SER A 37 -0.791 15.629 7.993 1.00 0.00 H new ATOM 613 N PRO A 38 -4.706 16.779 7.703 1.00 0.00 N ATOM 614 CA PRO A 38 -5.540 17.486 8.644 1.00 0.00 C ATOM 615 C PRO A 38 -5.746 16.572 9.822 1.00 0.00 C ATOM 616 O PRO A 38 -5.417 15.387 9.734 1.00 0.00 O ATOM 617 CB PRO A 38 -6.856 17.679 7.889 1.00 0.00 C ATOM 618 CG PRO A 38 -6.940 16.472 6.950 1.00 0.00 C ATOM 619 CD PRO A 38 -5.474 16.167 6.634 1.00 0.00 C ATOM 0 HA PRO A 38 -5.131 18.432 8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.705 17.710 8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.860 18.616 7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.433 15.625 7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.506 16.703 6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.298 15.092 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.189 16.575 5.664 1.00 0.00 H new ATOM 627 N CYS A 39 -6.273 17.128 10.940 1.00 0.00 N ATOM 628 CA CYS A 39 -6.432 16.443 12.182 1.00 0.00 C ATOM 629 C CYS A 39 -7.378 15.299 12.047 1.00 0.00 C ATOM 630 O CYS A 39 -8.557 15.477 11.739 1.00 0.00 O ATOM 631 CB CYS A 39 -6.926 17.398 13.267 1.00 0.00 C ATOM 632 SG CYS A 39 -5.775 18.789 13.419 1.00 0.00 S ATOM 0 H CYS A 39 -6.599 18.094 10.971 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.456 16.054 12.471 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.923 17.763 13.019 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.006 16.873 14.219 1.00 0.00 H new ATOM 637 N LYS A 40 -6.815 14.089 12.261 1.00 0.00 N ATOM 638 CA LYS A 40 -7.497 12.842 12.109 1.00 0.00 C ATOM 639 C LYS A 40 -8.408 12.715 13.277 1.00 0.00 C ATOM 640 O LYS A 40 -8.010 12.989 14.409 1.00 0.00 O ATOM 641 CB LYS A 40 -6.518 11.644 12.080 1.00 0.00 C ATOM 642 CG LYS A 40 -7.159 10.268 11.824 1.00 0.00 C ATOM 643 CD LYS A 40 -7.842 10.139 10.453 1.00 0.00 C ATOM 644 CE LYS A 40 -8.564 8.801 10.261 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.718 8.699 11.184 1.00 0.00 N ATOM 0 H LYS A 40 -5.843 13.980 12.552 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.036 12.828 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.771 11.827 11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.989 11.607 13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.390 9.500 11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.894 10.071 12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.559 10.951 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.094 10.256 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.906 8.710 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.872 7.978 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.374 7.968 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.381 8.443 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.211 9.614 11.226 1.00 0.00 H new ATOM 659 N ASP A 41 -9.662 12.306 12.988 1.00 0.00 N ATOM 660 CA ASP A 41 -10.754 12.338 13.916 1.00 0.00 C ATOM 661 C ASP A 41 -10.613 11.313 14.992 1.00 0.00 C ATOM 662 O ASP A 41 -11.009 11.561 16.129 1.00 0.00 O ATOM 663 CB ASP A 41 -12.109 12.109 13.235 1.00 0.00 C ATOM 664 CG ASP A 41 -12.253 13.142 12.127 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.252 14.360 12.447 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.364 12.724 10.943 1.00 0.00 O ATOM 0 H ASP A 41 -9.923 11.939 12.073 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.722 13.338 14.348 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.166 11.100 12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.920 12.207 13.956 1.00 0.00 H new ATOM 671 N ILE A 42 -10.059 10.128 14.662 1.00 0.00 N ATOM 672 CA ILE A 42 -9.835 9.136 15.669 1.00 0.00 C ATOM 673 C ILE A 42 -8.660 8.333 15.208 1.00 0.00 C ATOM 674 O ILE A 42 -8.561 7.968 14.038 1.00 0.00 O ATOM 675 CB ILE A 42 -11.073 8.285 15.953 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.930 7.441 17.243 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.520 7.478 14.710 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.598 5.966 17.011 1.00 0.00 C ATOM 0 H ILE A 42 -9.772 9.862 13.720 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.624 9.602 16.631 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.896 8.969 16.162 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.150 7.881 17.864 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.860 7.505 17.807 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.403 6.888 14.957 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.758 8.164 13.897 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.714 6.813 14.399 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.517 5.456 17.971 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.388 5.504 16.420 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.651 5.886 16.477 1.00 0.00 H new ATOM 690 N ASN A 43 -7.730 8.036 16.138 1.00 0.00 N ATOM 691 CA ASN A 43 -6.661 7.135 15.813 1.00 0.00 C ATOM 692 C ASN A 43 -6.328 6.407 17.066 1.00 0.00 C ATOM 693 O ASN A 43 -5.975 7.013 18.076 1.00 0.00 O ATOM 694 CB ASN A 43 -5.391 7.824 15.276 1.00 0.00 C ATOM 695 CG ASN A 43 -4.417 6.784 14.715 1.00 0.00 C ATOM 696 OD1 ASN A 43 -3.644 6.149 15.443 1.00 0.00 O ATOM 697 ND2 ASN A 43 -4.458 6.637 13.355 1.00 0.00 N ATOM 0 H ASN A 43 -7.715 8.407 17.088 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.999 6.482 15.009 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.659 8.538 14.497 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.910 8.388 16.075 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.831 5.978 12.894 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.116 7.187 12.802 1.00 0.00 H new ATOM 704 N THR A 44 -6.427 5.067 16.997 1.00 0.00 N ATOM 705 CA THR A 44 -6.144 4.210 18.105 1.00 0.00 C ATOM 706 C THR A 44 -4.696 3.839 18.037 1.00 0.00 C ATOM 707 O THR A 44 -4.304 3.034 17.194 1.00 0.00 O ATOM 708 CB THR A 44 -6.995 2.970 18.039 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.343 3.363 17.850 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.891 2.171 19.344 1.00 0.00 C ATOM 0 H THR A 44 -6.710 4.569 16.153 1.00 0.00 H new ATOM 0 HA THR A 44 -6.365 4.721 19.042 1.00 0.00 H new ATOM 0 HB THR A 44 -6.651 2.343 17.216 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.936 2.617 18.078 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.514 1.279 19.275 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.854 1.878 19.510 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.231 2.787 20.176 1.00 0.00 H new ATOM 718 N PHE A 45 -3.866 4.419 18.932 1.00 0.00 N ATOM 719 CA PHE A 45 -2.466 4.103 18.945 1.00 0.00 C ATOM 720 C PHE A 45 -2.277 2.880 19.785 1.00 0.00 C ATOM 721 O PHE A 45 -2.635 2.862 20.958 1.00 0.00 O ATOM 722 CB PHE A 45 -1.520 5.201 19.476 1.00 0.00 C ATOM 723 CG PHE A 45 -1.481 6.360 18.525 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.465 7.325 18.611 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.467 6.526 17.588 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.461 8.406 17.758 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.456 7.620 16.748 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.462 8.558 16.820 1.00 0.00 C ATOM 0 H PHE A 45 -4.159 5.096 19.636 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.190 3.970 17.899 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.857 5.538 20.456 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.517 4.795 19.606 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.244 7.231 19.353 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.320 5.790 17.517 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.248 9.142 17.824 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.343 7.741 16.032 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.468 9.404 16.149 1.00 0.00 H new ATOM 738 N ILE A 46 -1.707 1.821 19.171 1.00 0.00 N ATOM 739 CA ILE A 46 -1.550 0.526 19.777 1.00 0.00 C ATOM 740 C ILE A 46 -0.197 0.529 20.393 1.00 0.00 C ATOM 741 O ILE A 46 0.706 1.182 19.892 1.00 0.00 O ATOM 742 CB ILE A 46 -1.476 -0.585 18.743 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.459 -0.399 17.567 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.597 -1.971 19.402 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.928 -0.259 17.963 1.00 0.00 C ATOM 0 H ILE A 46 -1.342 1.867 18.219 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.387 0.357 20.454 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.485 -0.522 18.293 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.165 0.487 17.005 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.360 -1.251 16.894 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.540 -2.744 18.636 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.784 -2.107 20.115 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.552 -2.045 19.922 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.536 -0.133 17.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.248 -1.154 18.496 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.049 0.611 18.609 1.00 0.00 H new ATOM 757 N HIS A 47 -0.024 -0.209 21.499 1.00 0.00 N ATOM 758 CA HIS A 47 1.215 -0.317 22.216 1.00 0.00 C ATOM 759 C HIS A 47 1.327 -1.736 22.653 1.00 0.00 C ATOM 760 O HIS A 47 0.387 -2.311 23.208 1.00 0.00 O ATOM 761 CB HIS A 47 1.292 0.513 23.496 1.00 0.00 C ATOM 762 CG HIS A 47 0.415 1.712 23.469 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.546 2.772 22.605 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.643 2.007 24.261 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.422 3.655 22.919 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.170 3.236 23.918 1.00 0.00 N ATOM 0 H HIS A 47 -0.777 -0.756 21.916 1.00 0.00 H new ATOM 0 HA HIS A 47 1.998 0.038 21.545 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.015 -0.113 24.344 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.323 0.828 23.656 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.243 2.872 21.867 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.021 1.372 25.048 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.567 4.597 22.410 1.00 0.00 H new ATOM 774 N GLY A 48 2.507 -2.332 22.431 1.00 0.00 N ATOM 775 CA GLY A 48 2.712 -3.684 22.840 1.00 0.00 C ATOM 776 C GLY A 48 3.955 -4.119 22.158 1.00 0.00 C ATOM 777 O GLY A 48 4.926 -3.366 22.100 1.00 0.00 O ATOM 0 H GLY A 48 3.306 -1.890 21.977 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.813 -3.756 23.923 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.868 -4.312 22.556 1.00 0.00 H new ATOM 781 N ASN A 49 3.932 -5.355 21.625 1.00 0.00 N ATOM 782 CA ASN A 49 5.037 -5.890 20.891 1.00 0.00 C ATOM 783 C ASN A 49 4.548 -6.034 19.484 1.00 0.00 C ATOM 784 O ASN A 49 3.381 -6.336 19.234 1.00 0.00 O ATOM 785 CB ASN A 49 5.534 -7.230 21.469 1.00 0.00 C ATOM 786 CG ASN A 49 6.838 -7.667 20.799 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.768 -6.874 20.606 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.894 -8.989 20.460 1.00 0.00 N ATOM 0 H ASN A 49 3.138 -5.990 21.704 1.00 0.00 H new ATOM 0 HA ASN A 49 5.903 -5.231 20.949 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.688 -7.132 22.543 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.773 -7.997 21.325 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.734 -9.368 20.024 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.096 -9.597 20.643 1.00 0.00 H new ATOM 795 N LYS A 50 5.453 -5.798 18.517 1.00 0.00 N ATOM 796 CA LYS A 50 5.084 -5.687 17.140 1.00 0.00 C ATOM 797 C LYS A 50 5.033 -7.048 16.514 1.00 0.00 C ATOM 798 O LYS A 50 4.442 -7.224 15.450 1.00 0.00 O ATOM 799 CB LYS A 50 6.157 -4.890 16.369 1.00 0.00 C ATOM 800 CG LYS A 50 5.728 -4.297 15.022 1.00 0.00 C ATOM 801 CD LYS A 50 6.877 -3.525 14.357 1.00 0.00 C ATOM 802 CE LYS A 50 6.459 -2.789 13.082 1.00 0.00 C ATOM 803 NZ LYS A 50 7.611 -2.074 12.495 1.00 0.00 N ATOM 0 H LYS A 50 6.451 -5.683 18.692 1.00 0.00 H new ATOM 0 HA LYS A 50 4.114 -5.192 17.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.502 -4.076 17.007 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.012 -5.545 16.198 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.394 -5.097 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.878 -3.631 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.279 -2.804 15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.682 -4.221 14.119 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.058 -3.500 12.359 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.661 -2.081 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.309 -1.580 11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.976 -1.382 13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.360 -2.756 12.260 1.00 0.00 H new ATOM 817 N ARG A 51 5.664 -8.048 17.172 1.00 0.00 N ATOM 818 CA ARG A 51 5.669 -9.400 16.695 1.00 0.00 C ATOM 819 C ARG A 51 4.395 -10.057 17.113 1.00 0.00 C ATOM 820 O ARG A 51 3.927 -10.980 16.450 1.00 0.00 O ATOM 821 CB ARG A 51 6.864 -10.222 17.216 1.00 0.00 C ATOM 822 CG ARG A 51 7.155 -11.500 16.411 1.00 0.00 C ATOM 823 CD ARG A 51 8.305 -12.325 16.998 1.00 0.00 C ATOM 824 NE ARG A 51 9.548 -11.502 16.954 1.00 0.00 N ATOM 825 CZ ARG A 51 10.699 -11.943 17.539 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.735 -13.155 18.166 1.00 0.00 N ATOM 827 NH2 ARG A 51 11.823 -11.169 17.495 1.00 0.00 N ATOM 0 H ARG A 51 6.175 -7.914 18.044 1.00 0.00 H new ATOM 0 HA ARG A 51 5.762 -9.365 15.610 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.754 -9.592 17.209 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.676 -10.496 18.254 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.255 -12.114 16.376 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.397 -11.229 15.383 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.078 -12.614 18.024 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.440 -13.245 16.430 1.00 0.00 H new ATOM 0 HE ARG A 51 9.537 -10.598 16.481 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.898 -13.737 18.199 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.599 -13.479 18.601 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.801 -10.264 17.026 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.685 -11.496 17.932 1.00 0.00 H new ATOM 841 N SER A 52 3.795 -9.575 18.223 1.00 0.00 N ATOM 842 CA SER A 52 2.517 -10.022 18.647 1.00 0.00 C ATOM 843 C SER A 52 1.442 -9.394 17.828 1.00 0.00 C ATOM 844 O SER A 52 0.424 -10.052 17.637 1.00 0.00 O ATOM 845 CB SER A 52 2.269 -9.915 20.158 1.00 0.00 C ATOM 846 OG SER A 52 2.430 -8.600 20.646 1.00 0.00 O ATOM 0 H SER A 52 4.210 -8.866 18.827 1.00 0.00 H new ATOM 0 HA SER A 52 2.493 -11.097 18.466 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.259 -10.260 20.381 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.956 -10.579 20.682 1.00 0.00 H new ATOM 0 HG SER A 52 2.764 -8.023 19.928 1.00 0.00 H new ATOM 852 N ILE A 53 1.639 -8.149 17.305 1.00 0.00 N ATOM 853 CA ILE A 53 0.742 -7.558 16.324 1.00 0.00 C ATOM 854 C ILE A 53 0.699 -8.395 15.072 1.00 0.00 C ATOM 855 O ILE A 53 -0.389 -8.668 14.564 1.00 0.00 O ATOM 856 CB ILE A 53 1.058 -6.113 15.954 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.842 -5.223 17.192 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.183 -5.623 14.774 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.354 -3.797 17.013 1.00 0.00 C ATOM 0 H ILE A 53 2.423 -7.549 17.563 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.232 -7.541 16.813 1.00 0.00 H new ATOM 0 HB ILE A 53 2.097 -6.052 15.630 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.222 -5.192 17.426 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.343 -5.676 18.047 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.436 -4.589 14.538 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.366 -6.249 13.901 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.869 -5.685 15.051 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.169 -3.227 17.923 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.425 -3.818 16.809 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.835 -3.326 16.178 1.00 0.00 H new ATOM 871 N LYS A 54 1.879 -8.819 14.560 1.00 0.00 N ATOM 872 CA LYS A 54 2.010 -9.648 13.382 1.00 0.00 C ATOM 873 C LYS A 54 1.318 -10.974 13.551 1.00 0.00 C ATOM 874 O LYS A 54 0.681 -11.478 12.625 1.00 0.00 O ATOM 875 CB LYS A 54 3.482 -9.937 13.036 1.00 0.00 C ATOM 876 CG LYS A 54 3.707 -10.327 11.566 1.00 0.00 C ATOM 877 CD LYS A 54 5.168 -10.640 11.193 1.00 0.00 C ATOM 878 CE LYS A 54 6.081 -9.417 11.002 1.00 0.00 C ATOM 879 NZ LYS A 54 6.475 -8.803 12.292 1.00 0.00 N ATOM 0 H LYS A 54 2.777 -8.577 14.980 1.00 0.00 H new ATOM 0 HA LYS A 54 1.544 -9.080 12.577 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.079 -9.054 13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.845 -10.741 13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.095 -11.200 11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.352 -9.515 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.596 -11.272 11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.172 -11.222 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.976 -9.716 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.568 -8.675 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.447 -8.439 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.828 -8.020 12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.427 -9.518 13.046 1.00 0.00 H new ATOM 893 N ALA A 55 1.415 -11.553 14.771 1.00 0.00 N ATOM 894 CA ALA A 55 0.862 -12.834 15.115 1.00 0.00 C ATOM 895 C ALA A 55 -0.610 -12.797 15.436 1.00 0.00 C ATOM 896 O ALA A 55 -1.157 -13.800 15.890 1.00 0.00 O ATOM 897 CB ALA A 55 1.564 -13.425 16.345 1.00 0.00 C ATOM 0 H ALA A 55 1.900 -11.107 15.550 1.00 0.00 H new ATOM 0 HA ALA A 55 1.016 -13.444 14.225 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.126 -14.394 16.583 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.626 -13.549 16.133 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.439 -12.752 17.193 1.00 0.00 H new ATOM 903 N ILE A 56 -1.299 -11.655 15.180 1.00 0.00 N ATOM 904 CA ILE A 56 -2.734 -11.588 15.265 1.00 0.00 C ATOM 905 C ILE A 56 -3.281 -12.090 13.965 1.00 0.00 C ATOM 906 O ILE A 56 -4.452 -12.463 13.902 1.00 0.00 O ATOM 907 CB ILE A 56 -3.287 -10.197 15.569 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.699 -9.627 16.874 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.827 -10.191 15.671 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.707 -10.599 18.058 1.00 0.00 C ATOM 0 H ILE A 56 -0.856 -10.776 14.913 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.047 -12.201 16.110 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.989 -9.567 14.731 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.672 -9.312 16.687 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.261 -8.735 17.150 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.173 -9.181 15.888 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.256 -10.526 14.727 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.141 -10.862 16.470 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.275 -10.112 18.932 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.732 -10.896 18.278 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.119 -11.482 17.808 1.00 0.00 H new ATOM 922 N CYS A 57 -2.450 -12.136 12.901 1.00 0.00 N ATOM 923 CA CYS A 57 -2.892 -12.727 11.671 1.00 0.00 C ATOM 924 C CYS A 57 -3.108 -14.201 11.873 1.00 0.00 C ATOM 925 O CYS A 57 -4.246 -14.668 11.860 1.00 0.00 O ATOM 926 CB CYS A 57 -1.950 -12.523 10.479 1.00 0.00 C ATOM 927 SG CYS A 57 -2.749 -13.148 8.979 1.00 0.00 S ATOM 0 H CYS A 57 -1.497 -11.774 12.891 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.817 -12.210 11.417 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.711 -11.466 10.365 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.009 -13.046 10.650 1.00 0.00 H new ATOM 932 N GLU A 58 -2.020 -14.973 12.060 1.00 0.00 N ATOM 933 CA GLU A 58 -2.130 -16.374 12.337 1.00 0.00 C ATOM 934 C GLU A 58 -1.106 -16.740 13.335 1.00 0.00 C ATOM 935 O GLU A 58 0.094 -16.640 13.077 1.00 0.00 O ATOM 936 CB GLU A 58 -1.852 -17.284 11.132 1.00 0.00 C ATOM 937 CG GLU A 58 -2.964 -17.157 10.098 1.00 0.00 C ATOM 938 CD GLU A 58 -2.699 -18.109 8.946 1.00 0.00 C ATOM 939 OE1 GLU A 58 -1.648 -17.945 8.270 1.00 0.00 O ATOM 940 OE2 GLU A 58 -3.546 -19.015 8.722 1.00 0.00 O ATOM 0 H GLU A 58 -1.062 -14.626 12.019 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.159 -16.523 12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.896 -17.018 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.771 -18.320 11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.927 -17.383 10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.018 -16.132 9.731 1.00 0.00 H new ATOM 947 N ASN A 59 -1.581 -17.231 14.491 1.00 0.00 N ATOM 948 CA ASN A 59 -0.715 -17.925 15.388 1.00 0.00 C ATOM 949 C ASN A 59 -1.612 -18.730 16.259 1.00 0.00 C ATOM 950 O ASN A 59 -1.160 -19.449 17.148 1.00 0.00 O ATOM 951 CB ASN A 59 0.172 -16.994 16.242 1.00 0.00 C ATOM 952 CG ASN A 59 1.251 -17.777 16.994 1.00 0.00 C ATOM 953 OD1 ASN A 59 2.026 -18.534 16.398 1.00 0.00 O ATOM 954 ND2 ASN A 59 1.292 -17.564 18.345 1.00 0.00 N ATOM 0 H ASN A 59 -2.549 -17.150 14.801 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.010 -18.533 14.822 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.643 -16.250 15.600 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.449 -16.453 16.955 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.989 -18.042 18.916 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.626 -16.927 18.781 1.00 0.00 H new ATOM 961 N LYS A 60 -2.938 -18.541 16.033 1.00 0.00 N ATOM 962 CA LYS A 60 -4.021 -18.775 16.967 1.00 0.00 C ATOM 963 C LYS A 60 -3.853 -17.968 18.232 1.00 0.00 C ATOM 964 O LYS A 60 -4.368 -18.316 19.294 1.00 0.00 O ATOM 965 CB LYS A 60 -4.494 -20.237 17.220 1.00 0.00 C ATOM 966 CG LYS A 60 -3.574 -21.180 18.013 1.00 0.00 C ATOM 967 CD LYS A 60 -4.241 -22.527 18.324 1.00 0.00 C ATOM 968 CE LYS A 60 -3.333 -23.465 19.124 1.00 0.00 C ATOM 969 NZ LYS A 60 -4.021 -24.748 19.384 1.00 0.00 N ATOM 0 H LYS A 60 -3.278 -18.200 15.134 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.882 -18.398 16.415 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.450 -20.190 17.742 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.683 -20.697 16.250 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.660 -21.353 17.445 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.283 -20.698 18.946 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.160 -22.352 18.884 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.525 -23.012 17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.410 -23.645 18.574 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.055 -22.996 20.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.393 -25.375 19.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.890 -24.572 19.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.264 -25.201 18.480 1.00 0.00 H new ATOM 983 N ASN A 61 -3.150 -16.820 18.099 1.00 0.00 N ATOM 984 CA ASN A 61 -3.063 -15.768 19.057 1.00 0.00 C ATOM 985 C ASN A 61 -3.925 -14.707 18.464 1.00 0.00 C ATOM 986 O ASN A 61 -4.328 -13.770 19.146 1.00 0.00 O ATOM 987 CB ASN A 61 -1.624 -15.250 19.241 1.00 0.00 C ATOM 988 CG ASN A 61 -1.577 -14.174 20.324 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.037 -14.382 21.451 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.993 -12.996 19.945 1.00 0.00 N ATOM 0 H ASN A 61 -2.607 -16.622 17.259 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.371 -16.092 20.051 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.966 -16.076 19.512 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.255 -14.843 18.300 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.919 -12.226 20.610 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.632 -12.888 18.997 1.00 0.00 H new ATOM 997 N GLY A 62 -4.259 -14.855 17.165 1.00 0.00 N ATOM 998 CA GLY A 62 -5.395 -14.136 16.668 1.00 0.00 C ATOM 999 C GLY A 62 -6.145 -15.077 15.793 1.00 0.00 C ATOM 1000 O GLY A 62 -5.547 -15.860 15.055 1.00 0.00 O ATOM 0 H GLY A 62 -3.770 -15.442 16.489 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.022 -13.787 17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.081 -13.254 16.109 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.490 -15.017 15.895 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.365 -15.955 15.256 1.00 0.00 C ATOM 1006 C ASN A 63 -9.066 -15.200 14.166 1.00 0.00 C ATOM 1007 O ASN A 63 -9.209 -13.990 14.323 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.421 -16.563 16.214 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.222 -15.492 16.969 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.332 -15.122 16.570 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.645 -15.036 18.123 1.00 0.00 N ATOM 0 H ASN A 63 -7.978 -14.301 16.433 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.775 -16.794 14.887 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.107 -17.188 15.642 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.922 -17.212 16.933 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.135 -14.355 18.703 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.725 -15.377 18.403 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.530 -15.830 13.091 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.320 -15.173 12.081 1.00 0.00 C ATOM 1020 C PRO A 64 -11.661 -14.848 12.663 1.00 0.00 C ATOM 1021 O PRO A 64 -12.193 -15.630 13.453 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.454 -16.197 10.956 1.00 0.00 C ATOM 1023 CG PRO A 64 -9.199 -17.057 11.091 1.00 0.00 C ATOM 1024 CD PRO A 64 -8.966 -17.077 12.603 1.00 0.00 C ATOM 0 HA PRO A 64 -9.876 -14.245 11.721 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.360 -16.793 11.064 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.504 -15.714 9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.350 -18.060 10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.353 -16.625 10.557 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.452 -17.936 13.065 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.904 -17.147 12.837 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.210 -13.684 12.272 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.392 -13.145 12.860 1.00 0.00 C ATOM 1034 C HIS A 65 -14.085 -12.471 11.732 1.00 0.00 C ATOM 1035 O HIS A 65 -13.454 -11.702 11.013 1.00 0.00 O ATOM 1036 CB HIS A 65 -13.051 -12.079 13.919 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.233 -11.290 14.387 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.217 -11.824 15.174 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.561 -9.996 14.157 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -16.115 -10.878 15.415 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.741 -9.760 14.807 1.00 0.00 N ATOM 0 H HIS A 65 -11.821 -13.105 11.528 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.982 -13.920 13.349 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.590 -12.568 14.777 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.310 -11.395 13.506 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.997 -9.285 13.571 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -17.008 -10.999 16.011 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.247 -8.875 14.822 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.397 -12.750 11.567 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.236 -12.191 10.535 1.00 0.00 C ATOM 1052 C ARG A 66 -15.778 -12.687 9.190 1.00 0.00 C ATOM 1053 O ARG A 66 -16.053 -13.830 8.828 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.387 -10.645 10.606 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.494 -10.033 9.725 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.908 -10.516 10.062 1.00 0.00 C ATOM 1057 NE ARG A 66 -19.855 -9.789 9.171 1.00 0.00 N ATOM 1058 CZ ARG A 66 -21.192 -10.069 9.200 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -21.678 -11.016 10.054 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -22.043 -9.397 8.371 1.00 0.00 N ATOM 0 H ARG A 66 -15.898 -13.394 12.179 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.252 -12.548 10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.579 -10.366 11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.435 -10.194 10.325 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.461 -8.948 9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.282 -10.266 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.991 -11.593 9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.140 -10.321 11.109 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.502 -9.075 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.042 -11.518 10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.677 -11.222 10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.680 -8.689 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -23.042 -9.603 8.390 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.074 -11.834 8.418 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.576 -12.200 7.131 1.00 0.00 C ATOM 1076 C GLU A 67 -13.431 -11.279 6.877 1.00 0.00 C ATOM 1077 O GLU A 67 -13.630 -10.115 6.536 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.618 -12.052 5.998 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.119 -12.534 4.630 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.291 -12.479 3.661 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.813 -11.356 3.426 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.680 -13.559 3.144 1.00 0.00 O ATOM 0 H GLU A 67 -14.849 -10.878 8.694 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.299 -13.254 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.514 -12.613 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.909 -11.005 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.302 -11.904 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.730 -13.550 4.702 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.204 -11.825 7.052 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.909 -11.236 6.770 1.00 0.00 C ATOM 1091 C ASN A 68 -10.338 -10.504 7.955 1.00 0.00 C ATOM 1092 O ASN A 68 -9.154 -10.167 7.962 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.754 -10.443 5.430 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.422 -8.946 5.583 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -9.275 -8.550 5.337 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -11.436 -8.112 5.960 1.00 0.00 N ATOM 0 H ASN A 68 -12.106 -12.769 7.426 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.290 -12.113 6.583 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.969 -10.913 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.680 -10.536 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.266 -7.110 6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.364 -8.491 6.151 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.168 -10.258 8.994 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.750 -9.505 10.136 1.00 0.00 C ATOM 1105 C LEU A 69 -10.235 -10.528 11.079 1.00 0.00 C ATOM 1106 O LEU A 69 -10.559 -11.704 10.950 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.876 -8.707 10.835 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.320 -7.396 10.137 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.137 -6.488 9.778 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -13.229 -7.607 8.917 1.00 0.00 C ATOM 0 H LEU A 69 -12.133 -10.585 9.038 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.026 -8.752 9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.747 -9.356 10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.547 -8.463 11.845 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.925 -6.888 10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.506 -5.585 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.598 -6.217 10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.465 -7.016 9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.493 -6.640 8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.704 -8.203 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.136 -8.127 9.225 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.388 -10.113 12.032 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.761 -11.048 12.912 1.00 0.00 C ATOM 1124 C ARG A 70 -8.702 -10.344 14.211 1.00 0.00 C ATOM 1125 O ARG A 70 -8.006 -9.338 14.337 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.296 -11.388 12.582 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.048 -12.663 11.761 1.00 0.00 C ATOM 1128 CD ARG A 70 -7.378 -12.600 10.273 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.713 -13.778 9.649 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.762 -13.981 8.301 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -7.456 -13.122 7.499 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.104 -15.044 7.753 1.00 0.00 N ATOM 0 H ARG A 70 -9.137 -9.138 12.195 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.326 -11.979 12.863 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.866 -10.546 12.040 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.748 -11.476 13.520 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.997 -12.934 11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.631 -13.471 12.204 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.456 -12.631 10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.016 -11.671 9.833 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.213 -14.443 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.942 -12.323 7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.489 -13.279 6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.579 -15.682 8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.137 -15.200 6.746 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.434 -10.877 15.206 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.458 -10.279 16.504 1.00 0.00 C ATOM 1148 C ILE A 71 -8.375 -10.963 17.266 1.00 0.00 C ATOM 1149 O ILE A 71 -8.159 -12.166 17.123 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.817 -10.379 17.193 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.872 -9.518 18.475 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.214 -11.846 17.463 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.295 -9.269 18.982 1.00 0.00 C ATOM 0 H ILE A 71 -10.006 -11.717 15.113 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.291 -9.204 16.442 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.559 -9.972 16.506 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.296 -10.010 19.259 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.391 -8.559 18.280 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.187 -11.875 17.954 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.268 -12.388 16.519 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.468 -12.312 18.107 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.258 -8.658 19.884 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.869 -8.749 18.215 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.773 -10.222 19.209 1.00 0.00 H new ATOM 1165 N SER A 72 -7.655 -10.180 18.089 1.00 0.00 N ATOM 1166 CA SER A 72 -6.577 -10.702 18.877 1.00 0.00 C ATOM 1167 C SER A 72 -7.094 -11.367 20.109 1.00 0.00 C ATOM 1168 O SER A 72 -8.255 -11.218 20.485 1.00 0.00 O ATOM 1169 CB SER A 72 -5.600 -9.614 19.327 1.00 0.00 C ATOM 1170 OG SER A 72 -6.229 -8.686 20.184 1.00 0.00 O ATOM 0 H SER A 72 -7.819 -9.181 18.210 1.00 0.00 H new ATOM 0 HA SER A 72 -6.058 -11.413 18.234 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.754 -10.071 19.840 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.202 -9.096 18.455 1.00 0.00 H new ATOM 0 HG SER A 72 -5.553 -8.099 20.583 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.200 -12.133 20.765 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.497 -12.811 21.990 1.00 0.00 C ATOM 1178 C LYS A 73 -5.532 -12.296 23.003 1.00 0.00 C ATOM 1179 O LYS A 73 -5.724 -12.502 24.201 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.309 -14.339 21.919 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.179 -15.025 20.857 1.00 0.00 C ATOM 1182 CD LYS A 73 -7.023 -16.551 20.889 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.729 -17.266 19.735 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.504 -18.726 19.816 1.00 0.00 N ATOM 0 H LYS A 73 -5.247 -12.284 20.435 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.544 -12.626 22.229 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.261 -14.557 21.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.537 -14.769 22.894 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.225 -14.763 21.020 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.907 -14.653 19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.962 -16.799 20.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.416 -16.928 21.833 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.798 -17.054 19.767 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.358 -16.887 18.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.045 -19.203 19.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.491 -18.928 19.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.818 -19.075 20.744 1.00 0.00 H new ATOM 1198 N SER A 74 -4.464 -11.613 22.532 1.00 0.00 N ATOM 1199 CA SER A 74 -3.490 -11.015 23.390 1.00 0.00 C ATOM 1200 C SER A 74 -3.724 -9.558 23.237 1.00 0.00 C ATOM 1201 O SER A 74 -3.102 -8.909 22.401 1.00 0.00 O ATOM 1202 CB SER A 74 -2.034 -11.333 23.007 1.00 0.00 C ATOM 1203 OG SER A 74 -1.135 -10.643 23.863 1.00 0.00 O ATOM 0 H SER A 74 -4.279 -11.477 21.538 1.00 0.00 H new ATOM 0 HA SER A 74 -3.604 -11.395 24.405 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.859 -12.407 23.075 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.853 -11.046 21.971 1.00 0.00 H new ATOM 0 HG SER A 74 -0.213 -10.856 23.609 1.00 0.00 H new ATOM 1209 N SER A 75 -4.665 -9.056 24.058 1.00 0.00 N ATOM 1210 CA SER A 75 -5.067 -7.677 24.177 1.00 0.00 C ATOM 1211 C SER A 75 -3.900 -6.761 24.392 1.00 0.00 C ATOM 1212 O SER A 75 -3.026 -7.010 25.223 1.00 0.00 O ATOM 1213 CB SER A 75 -6.050 -7.457 25.338 1.00 0.00 C ATOM 1214 OG SER A 75 -5.556 -8.053 26.527 1.00 0.00 O ATOM 0 H SER A 75 -5.189 -9.660 24.691 1.00 0.00 H new ATOM 0 HA SER A 75 -5.552 -7.442 23.230 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.203 -6.389 25.496 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.021 -7.884 25.086 1.00 0.00 H new ATOM 0 HG SER A 75 -5.054 -7.388 27.042 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.876 -5.674 23.593 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.765 -4.772 23.525 1.00 0.00 C ATOM 1222 C PHE A 76 -3.218 -3.527 24.175 1.00 0.00 C ATOM 1223 O PHE A 76 -4.413 -3.249 24.247 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.351 -4.357 22.087 1.00 0.00 C ATOM 1225 CG PHE A 76 -1.940 -5.513 21.227 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -2.905 -6.345 20.695 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.611 -5.723 20.869 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.553 -7.412 19.914 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.253 -6.792 20.063 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.234 -7.660 19.632 1.00 0.00 C ATOM 0 H PHE A 76 -4.649 -5.417 22.979 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.913 -5.275 23.983 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.185 -3.839 21.612 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.526 -3.646 22.145 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.948 -6.152 20.897 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.150 -5.044 21.224 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.318 -8.063 19.517 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.777 -6.943 19.777 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.962 -8.541 19.069 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.236 -2.745 24.656 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.475 -1.495 25.284 1.00 0.00 C ATOM 1242 C GLN A 77 -2.772 -0.533 24.217 1.00 0.00 C ATOM 1243 O GLN A 77 -2.219 -0.613 23.130 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.263 -1.100 26.149 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.593 -0.218 27.352 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.599 -0.540 28.464 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.592 -0.219 28.377 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.134 -1.200 29.536 1.00 0.00 N ATOM 0 H GLN A 77 -1.248 -2.995 24.604 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.322 -1.530 25.969 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.777 -2.009 26.505 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.541 -0.578 25.521 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.531 0.836 27.080 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.613 -0.401 27.689 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.126 -1.436 29.546 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.541 -1.456 30.325 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.719 0.370 24.493 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.291 1.158 23.456 1.00 0.00 C ATOM 1259 C VAL A 78 -4.517 2.483 24.101 1.00 0.00 C ATOM 1260 O VAL A 78 -4.859 2.558 25.277 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.564 0.492 22.957 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.777 1.436 22.818 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.166 -0.183 21.634 1.00 0.00 C ATOM 0 H VAL A 78 -4.087 0.555 25.426 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.667 1.268 22.569 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.929 -0.227 23.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.637 0.872 22.457 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.011 1.873 23.789 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.540 2.231 22.110 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.033 -0.688 21.208 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.806 0.571 20.935 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.377 -0.912 21.820 1.00 0.00 H new ATOM 1273 N THR A 79 -4.309 3.567 23.333 1.00 0.00 N ATOM 1274 CA THR A 79 -4.706 4.876 23.746 1.00 0.00 C ATOM 1275 C THR A 79 -5.431 5.384 22.558 1.00 0.00 C ATOM 1276 O THR A 79 -4.821 5.680 21.531 1.00 0.00 O ATOM 1277 CB THR A 79 -3.574 5.804 24.120 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.933 5.324 25.292 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.105 7.217 24.415 1.00 0.00 C ATOM 0 H THR A 79 -3.861 3.535 22.417 1.00 0.00 H new ATOM 0 HA THR A 79 -5.292 4.831 24.664 1.00 0.00 H new ATOM 0 HB THR A 79 -2.876 5.841 23.284 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.301 4.615 25.052 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.274 7.870 24.682 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.605 7.610 23.530 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.813 7.174 25.242 1.00 0.00 H new ATOM 1287 N THR A 80 -6.768 5.484 22.690 1.00 0.00 N ATOM 1288 CA THR A 80 -7.602 5.978 21.640 1.00 0.00 C ATOM 1289 C THR A 80 -7.560 7.467 21.719 1.00 0.00 C ATOM 1290 O THR A 80 -8.228 8.073 22.554 1.00 0.00 O ATOM 1291 CB THR A 80 -9.022 5.491 21.753 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.017 4.075 21.856 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.809 5.898 20.502 1.00 0.00 C ATOM 0 H THR A 80 -7.274 5.219 23.535 1.00 0.00 H new ATOM 0 HA THR A 80 -7.234 5.612 20.681 1.00 0.00 H new ATOM 0 HB THR A 80 -9.489 5.931 22.634 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.938 3.749 21.932 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.836 5.544 20.587 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.806 6.984 20.408 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.345 5.456 19.620 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.759 8.085 20.829 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.633 9.506 20.793 1.00 0.00 C ATOM 1303 C CYS A 81 -7.698 9.994 19.878 1.00 0.00 C ATOM 1304 O CYS A 81 -7.656 9.762 18.672 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.296 9.991 20.220 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.864 9.459 21.203 1.00 0.00 S ATOM 0 H CYS A 81 -6.198 7.595 20.133 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.704 9.878 21.815 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.188 9.619 19.201 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.306 11.079 20.163 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.684 10.683 20.467 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.834 11.154 19.764 1.00 0.00 C ATOM 1313 C LYS A 82 -9.650 12.633 19.714 1.00 0.00 C ATOM 1314 O LYS A 82 -9.235 13.240 20.695 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.141 10.774 20.502 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.447 11.209 19.815 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.099 12.447 20.454 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.328 12.936 19.686 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.850 14.176 20.303 1.00 0.00 N ATOM 0 H LYS A 82 -8.684 10.920 21.459 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.924 10.712 18.772 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.163 9.692 20.630 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.114 11.212 21.500 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.243 11.418 18.765 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.155 10.381 19.843 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.387 12.212 21.479 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.366 13.252 20.506 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.066 13.121 18.644 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.099 12.166 19.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.685 14.502 19.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.117 13.987 21.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.116 14.912 20.278 1.00 0.00 H new ATOM 1333 N LEU A 83 -9.946 13.229 18.545 1.00 0.00 N ATOM 1334 CA LEU A 83 -9.743 14.619 18.251 1.00 0.00 C ATOM 1335 C LEU A 83 -10.815 15.403 18.926 1.00 0.00 C ATOM 1336 O LEU A 83 -11.994 15.320 18.586 1.00 0.00 O ATOM 1337 CB LEU A 83 -9.805 14.746 16.706 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.685 16.088 15.940 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.032 16.795 15.735 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.605 17.067 16.412 1.00 0.00 C ATOM 0 H LEU A 83 -10.349 12.715 17.761 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.787 15.001 18.609 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.017 14.102 16.316 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.755 14.307 16.403 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.322 15.749 14.970 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.875 17.727 15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.698 16.150 15.162 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.481 17.011 16.705 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.630 17.963 15.792 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.790 17.340 17.451 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.626 16.596 16.330 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.374 16.187 19.928 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.224 16.994 20.740 1.00 0.00 C ATOM 1354 C HIS A 84 -11.304 18.326 20.071 1.00 0.00 C ATOM 1355 O HIS A 84 -10.347 18.769 19.438 1.00 0.00 O ATOM 1356 CB HIS A 84 -10.637 17.143 22.158 1.00 0.00 C ATOM 1357 CG HIS A 84 -11.545 17.796 23.157 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -11.552 19.143 23.408 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.462 17.232 23.974 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -12.455 19.386 24.347 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.022 18.242 24.709 1.00 0.00 N ATOM 0 H HIS A 84 -9.388 16.259 20.179 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.210 16.542 20.845 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.366 16.154 22.528 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.716 17.722 22.094 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.707 16.182 24.035 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.691 20.359 24.752 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.751 18.134 25.414 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.468 18.994 20.208 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.688 20.284 19.622 1.00 0.00 C ATOM 1372 C GLY A 85 -13.626 20.106 18.483 1.00 0.00 C ATOM 1373 O GLY A 85 -14.799 20.465 18.567 1.00 0.00 O ATOM 0 H GLY A 85 -13.266 18.634 20.732 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.105 20.973 20.357 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.747 20.715 19.279 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.093 19.541 17.387 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.834 19.311 16.184 1.00 0.00 C ATOM 1379 C GLY A 86 -13.319 20.273 15.172 1.00 0.00 C ATOM 1380 O GLY A 86 -14.047 20.678 14.268 1.00 0.00 O ATOM 0 H GLY A 86 -12.121 19.235 17.334 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.706 18.284 15.842 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.901 19.461 16.352 1.00 0.00 H new ATOM 1384 N SER A 87 -12.031 20.649 15.318 1.00 0.00 N ATOM 1385 CA SER A 87 -11.347 21.481 14.371 1.00 0.00 C ATOM 1386 C SER A 87 -10.680 20.540 13.401 1.00 0.00 C ATOM 1387 O SER A 87 -9.957 19.656 13.859 1.00 0.00 O ATOM 1388 CB SER A 87 -10.272 22.363 15.034 1.00 0.00 C ATOM 1389 OG SER A 87 -9.479 21.609 15.939 1.00 0.00 O ATOM 0 H SER A 87 -11.454 20.369 16.111 1.00 0.00 H new ATOM 0 HA SER A 87 -12.056 22.157 13.893 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.635 22.803 14.267 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.749 23.187 15.564 1.00 0.00 H new ATOM 0 HG SER A 87 -8.724 21.210 15.458 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.856 20.654 12.087 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.160 19.800 11.165 1.00 0.00 C ATOM 1397 C PRO A 88 -8.780 20.345 10.993 1.00 0.00 C ATOM 1398 O PRO A 88 -7.879 19.572 10.686 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.910 19.930 9.836 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.291 20.464 10.219 1.00 0.00 C ATOM 1401 CD PRO A 88 -12.001 21.298 11.465 1.00 0.00 C ATOM 0 HA PRO A 88 -10.110 18.765 11.503 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.397 20.611 9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.984 18.969 9.328 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.726 21.067 9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.993 19.656 10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.779 22.333 11.205 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.859 21.315 12.138 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.617 21.671 11.130 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.408 22.325 10.746 1.00 0.00 C ATOM 1411 C TRP A 89 -6.581 22.548 11.970 1.00 0.00 C ATOM 1412 O TRP A 89 -7.171 22.744 13.032 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.709 23.668 10.069 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.698 23.462 8.950 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -10.010 23.826 8.882 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -8.435 22.656 7.789 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.576 23.325 7.734 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.621 22.591 7.060 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -7.308 21.999 7.379 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.696 21.868 5.903 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.390 21.248 6.228 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.564 21.186 5.498 1.00 0.00 C ATOM 0 H TRP A 89 -9.329 22.295 11.510 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.869 21.701 10.033 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -8.111 24.372 10.798 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.789 24.104 9.679 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.528 24.420 9.621 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.539 23.471 7.431 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.386 22.067 7.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.608 21.831 5.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.524 20.698 5.889 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.596 20.594 4.595 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.252 22.529 11.886 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.400 22.645 13.039 1.00 0.00 C ATOM 1435 C PRO A 90 -4.431 24.100 13.469 1.00 0.00 C ATOM 1436 O PRO A 90 -4.491 24.932 12.563 1.00 0.00 O ATOM 1437 CB PRO A 90 -3.007 22.226 12.552 1.00 0.00 C ATOM 1438 CG PRO A 90 -3.057 22.357 11.029 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.525 22.087 10.709 1.00 0.00 C ATOM 0 HA PRO A 90 -4.700 22.031 13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.233 22.865 12.977 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.776 21.204 12.852 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.748 23.349 10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.399 21.639 10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.842 22.633 9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.698 21.029 10.512 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.386 24.496 14.739 1.00 0.00 N ATOM 1448 CA PRO A 91 -4.083 23.646 15.860 1.00 0.00 C ATOM 1449 C PRO A 91 -5.298 22.895 16.271 1.00 0.00 C ATOM 1450 O PRO A 91 -6.421 23.264 15.925 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.718 24.575 17.004 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.253 25.845 16.311 1.00 0.00 C ATOM 1453 CD PRO A 91 -4.105 25.886 15.044 1.00 0.00 C ATOM 0 HA PRO A 91 -3.289 22.943 15.607 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.573 24.764 17.653 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.932 24.150 17.628 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.415 26.725 16.933 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.189 25.810 16.079 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.024 26.449 15.204 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.573 26.371 14.225 1.00 0.00 H new ATOM 1461 N CYS A 92 -5.042 21.812 17.013 1.00 0.00 N ATOM 1462 CA CYS A 92 -6.022 20.810 17.302 1.00 0.00 C ATOM 1463 C CYS A 92 -5.714 20.295 18.657 1.00 0.00 C ATOM 1464 O CYS A 92 -4.552 20.231 19.049 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.956 19.608 16.339 1.00 0.00 C ATOM 1466 SG CYS A 92 -6.698 20.012 14.734 1.00 0.00 S ATOM 0 H CYS A 92 -4.129 21.623 17.426 1.00 0.00 H new ATOM 0 HA CYS A 92 -7.010 21.261 17.209 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.918 19.309 16.197 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.476 18.757 16.779 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.778 19.915 19.393 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.646 19.336 20.697 1.00 0.00 C ATOM 1473 C GLN A 93 -6.861 17.875 20.495 1.00 0.00 C ATOM 1474 O GLN A 93 -7.531 17.472 19.548 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.689 19.819 21.728 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.618 21.316 22.076 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.253 22.157 20.965 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.417 21.958 20.599 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -7.448 23.122 20.426 1.00 0.00 N ATOM 0 H GLN A 93 -7.743 20.011 19.078 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.673 19.617 21.100 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.685 19.598 21.345 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.565 19.242 22.645 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.133 21.501 23.019 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.579 21.614 22.216 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.495 23.241 20.768 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.801 23.723 19.682 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.292 17.045 21.389 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.501 15.627 21.335 1.00 0.00 C ATOM 1490 C TYR A 94 -6.713 15.164 22.730 1.00 0.00 C ATOM 1491 O TYR A 94 -5.872 15.401 23.594 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.290 14.834 20.831 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.307 14.839 19.353 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.195 14.003 18.715 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.483 15.662 18.611 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.320 14.033 17.347 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.623 15.718 17.239 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.544 14.905 16.614 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.686 14.939 15.219 1.00 0.00 O ATOM 0 H TYR A 94 -5.687 17.354 22.150 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.335 15.459 20.653 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.366 15.279 21.200 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.324 13.811 21.207 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.798 13.319 19.294 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.731 16.261 19.103 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.021 13.379 16.850 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.014 16.395 16.658 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.408 14.334 14.949 1.00 0.00 H new ATOM 1509 N ARG A 95 -7.848 14.474 22.954 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.169 13.915 24.241 1.00 0.00 C ATOM 1511 C ARG A 95 -7.941 12.432 24.181 1.00 0.00 C ATOM 1512 O ARG A 95 -8.425 11.759 23.276 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.631 14.196 24.661 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.047 13.660 26.045 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.180 14.164 27.205 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.619 13.452 28.439 1.00 0.00 N ATOM 1517 CZ ARG A 95 -8.796 13.346 29.524 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -7.562 13.931 29.525 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -9.212 12.646 30.621 1.00 0.00 N ATOM 0 H ARG A 95 -8.553 14.300 22.238 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.527 14.385 24.986 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.792 15.274 24.646 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.294 13.764 23.911 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.083 13.940 26.233 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.010 12.571 26.026 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.126 13.972 27.007 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.290 15.242 27.325 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.550 13.037 28.474 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.245 14.455 28.709 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.957 13.844 30.342 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.132 12.206 30.627 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.602 12.563 31.434 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.206 11.897 25.181 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.942 10.489 25.286 1.00 0.00 C ATOM 1535 C ALA A 96 -8.047 9.797 26.011 1.00 0.00 C ATOM 1536 O ALA A 96 -8.545 10.286 27.025 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.692 10.182 26.115 1.00 0.00 C ATOM 0 H ALA A 96 -6.789 12.452 25.928 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.826 10.148 24.257 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.541 9.103 26.161 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.824 10.650 25.651 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.820 10.573 27.124 1.00 0.00 H new ATOM 1543 N THR A 97 -8.418 8.602 25.502 1.00 0.00 N ATOM 1544 CA THR A 97 -9.306 7.695 26.176 1.00 0.00 C ATOM 1545 C THR A 97 -8.628 6.362 26.065 1.00 0.00 C ATOM 1546 O THR A 97 -8.767 5.671 25.058 1.00 0.00 O ATOM 1547 CB THR A 97 -10.686 7.629 25.554 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.262 8.926 25.523 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.605 6.701 26.375 1.00 0.00 C ATOM 0 H THR A 97 -8.092 8.258 24.599 1.00 0.00 H new ATOM 0 HA THR A 97 -9.477 8.019 27.202 1.00 0.00 H new ATOM 0 HB THR A 97 -10.586 7.238 24.541 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.153 8.878 25.119 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.592 6.666 25.914 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.180 5.698 26.400 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.693 7.083 27.392 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.858 5.978 27.105 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.010 4.822 27.016 1.00 0.00 C ATOM 1559 C ALA A 98 -7.682 3.600 27.562 1.00 0.00 C ATOM 1560 O ALA A 98 -8.553 3.686 28.427 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.680 5.018 27.754 1.00 0.00 C ATOM 0 H ALA A 98 -7.822 6.463 28.001 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.809 4.685 25.953 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.074 4.117 27.658 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.145 5.863 27.321 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.874 5.213 28.809 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.264 2.419 27.051 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.802 1.160 27.479 1.00 0.00 C ATOM 1569 C GLY A 99 -6.776 0.093 27.239 1.00 0.00 C ATOM 1570 O GLY A 99 -5.595 0.376 27.048 1.00 0.00 O ATOM 0 H GLY A 99 -6.544 2.340 26.333 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.065 1.201 28.536 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.717 0.934 26.932 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.224 -1.179 27.260 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.373 -2.315 27.035 1.00 0.00 C ATOM 1576 C PHE A 100 -7.310 -3.300 26.412 1.00 0.00 C ATOM 1577 O PHE A 100 -8.086 -3.947 27.114 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.782 -2.873 28.354 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.657 -3.842 28.149 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.402 -3.365 27.847 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -4.792 -5.194 28.406 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.293 -4.173 27.831 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -3.686 -6.025 28.372 1.00 0.00 C ATOM 1584 CZ PHE A 100 -2.430 -5.518 28.094 1.00 0.00 C ATOM 0 H PHE A 100 -8.198 -1.425 27.437 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.504 -2.078 26.421 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.427 -2.042 28.963 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.575 -3.365 28.917 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.286 -2.317 27.614 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.765 -5.603 28.634 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.320 -3.757 27.614 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.805 -7.081 28.565 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.568 -6.168 28.083 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.294 -3.392 25.063 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.344 -4.073 24.358 1.00 0.00 C ATOM 1596 C ARG A 101 -7.731 -4.839 23.236 1.00 0.00 C ATOM 1597 O ARG A 101 -6.630 -4.524 22.784 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.375 -3.110 23.726 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.776 -3.724 23.565 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.670 -2.970 22.581 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.987 -3.679 22.532 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.255 -4.672 21.630 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.316 -5.080 20.729 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.487 -5.261 21.629 1.00 0.00 N ATOM 0 H ARG A 101 -6.564 -3.000 24.468 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.858 -4.704 25.083 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.449 -2.215 24.343 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.012 -2.794 22.748 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.674 -4.757 23.231 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.265 -3.751 24.539 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.803 -1.936 22.899 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.213 -2.942 21.592 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.713 -3.412 23.197 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.394 -4.643 20.720 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.535 -5.822 20.065 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.197 -4.960 22.297 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.697 -6.002 20.961 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.476 -5.859 22.760 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.175 -6.603 21.576 1.00 0.00 C ATOM 1620 C ASN A 102 -8.258 -5.709 20.387 1.00 0.00 C ATOM 1621 O ASN A 102 -9.183 -4.907 20.255 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.210 -7.700 21.273 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.160 -8.826 22.304 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -8.167 -9.027 23.011 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.282 -9.610 22.338 1.00 0.00 N ATOM 0 H ASN A 102 -9.327 -6.177 23.224 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.188 -7.031 21.752 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.209 -7.264 21.259 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.027 -8.108 20.279 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.327 -10.408 22.971 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.073 -9.396 21.730 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.272 -5.865 19.484 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.242 -5.123 18.260 1.00 0.00 C ATOM 1634 C VAL A 103 -7.801 -6.029 17.213 1.00 0.00 C ATOM 1635 O VAL A 103 -7.481 -7.217 17.175 1.00 0.00 O ATOM 1636 CB VAL A 103 -5.867 -4.607 17.877 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.400 -3.648 18.988 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -4.848 -5.747 17.669 1.00 0.00 C ATOM 0 H VAL A 103 -6.490 -6.510 19.603 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.833 -4.214 18.374 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.933 -4.087 16.921 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.412 -3.259 18.741 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.104 -2.821 19.074 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.353 -4.185 19.936 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.881 -5.325 17.397 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.748 -6.318 18.592 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.195 -6.404 16.871 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.669 -5.474 16.343 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.240 -6.223 15.260 1.00 0.00 C ATOM 1650 C VAL A 104 -8.504 -5.763 14.043 1.00 0.00 C ATOM 1651 O VAL A 104 -8.900 -4.794 13.403 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.729 -5.991 15.088 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.267 -6.774 13.876 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.434 -6.499 16.353 1.00 0.00 C ATOM 0 H VAL A 104 -8.977 -4.503 16.390 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.140 -7.292 15.448 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.914 -4.929 14.927 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.337 -6.593 13.772 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.753 -6.445 12.973 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.092 -7.840 14.025 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.509 -6.345 16.257 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.230 -7.562 16.481 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.065 -5.952 17.220 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.405 -6.454 13.696 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.608 -6.060 12.558 1.00 0.00 C ATOM 1666 C VAL A 105 -7.086 -6.871 11.393 1.00 0.00 C ATOM 1667 O VAL A 105 -7.350 -8.061 11.538 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.117 -6.208 12.740 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.684 -5.176 13.796 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.690 -7.630 13.140 1.00 0.00 C ATOM 0 H VAL A 105 -7.064 -7.278 14.191 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.745 -4.990 12.405 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.622 -6.028 11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.609 -5.250 13.958 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.930 -4.173 13.447 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.206 -5.373 14.732 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.607 -7.666 13.254 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.164 -7.900 14.084 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.997 -8.333 12.366 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.207 -6.247 10.202 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.498 -6.991 9.010 1.00 0.00 C ATOM 1682 C ALA A 106 -6.190 -7.446 8.483 1.00 0.00 C ATOM 1683 O ALA A 106 -5.317 -6.612 8.240 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.133 -6.168 7.886 1.00 0.00 C ATOM 0 H ALA A 106 -7.105 -5.241 10.065 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.202 -7.777 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.318 -6.810 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.076 -5.745 8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.458 -5.362 7.599 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.049 -8.779 8.305 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.832 -9.372 7.831 1.00 0.00 C ATOM 1692 C CYS A 107 -4.986 -9.744 6.396 1.00 0.00 C ATOM 1693 O CYS A 107 -5.894 -10.489 6.029 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.445 -10.664 8.576 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.981 -11.467 7.885 1.00 0.00 S ATOM 0 H CYS A 107 -6.791 -9.453 8.493 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.056 -8.625 7.996 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.264 -10.431 9.625 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.283 -11.360 8.544 1.00 0.00 H new ATOM 1700 N GLU A 108 -4.045 -9.247 5.569 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.828 -9.758 4.249 1.00 0.00 C ATOM 1702 C GLU A 108 -2.516 -10.459 4.325 1.00 0.00 C ATOM 1703 O GLU A 108 -1.529 -9.849 4.736 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.708 -8.658 3.181 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.772 -9.176 1.740 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.727 -7.972 0.811 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -4.697 -7.168 0.838 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -2.723 -7.841 0.062 1.00 0.00 O ATOM 0 H GLU A 108 -3.425 -8.478 5.822 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.670 -10.386 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.507 -7.932 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.766 -8.129 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.937 -9.846 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.686 -9.748 1.580 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.503 -11.745 3.893 1.00 0.00 N ATOM 1716 CA ASN A 109 -1.374 -12.647 3.769 1.00 0.00 C ATOM 1717 C ASN A 109 -0.236 -12.508 4.747 1.00 0.00 C ATOM 1718 O ASN A 109 0.876 -12.123 4.386 1.00 0.00 O ATOM 1719 CB ASN A 109 -0.807 -12.827 2.338 1.00 0.00 C ATOM 1720 CG ASN A 109 -0.696 -11.577 1.443 1.00 0.00 C ATOM 1721 OD1 ASN A 109 -1.052 -11.665 0.261 1.00 0.00 O ATOM 1722 ND2 ASN A 109 -0.188 -10.428 1.977 1.00 0.00 N ATOM 0 H ASN A 109 -3.369 -12.199 3.601 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.897 -13.559 4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.187 -13.265 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.432 -13.555 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.089 -9.596 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.093 -10.402 2.957 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.502 -12.848 6.029 1.00 0.00 N ATOM 1730 CA GLY A 110 0.517 -12.954 7.039 1.00 0.00 C ATOM 1731 C GLY A 110 0.889 -11.632 7.646 1.00 0.00 C ATOM 1732 O GLY A 110 1.813 -11.577 8.456 1.00 0.00 O ATOM 0 H GLY A 110 -1.441 -13.053 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.170 -13.623 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.406 -13.409 6.602 1.00 0.00 H new ATOM 1736 N LEU A 111 0.189 -10.542 7.271 1.00 0.00 N ATOM 1737 CA LEU A 111 0.533 -9.229 7.750 1.00 0.00 C ATOM 1738 C LEU A 111 -0.765 -8.575 8.061 1.00 0.00 C ATOM 1739 O LEU A 111 -1.654 -8.650 7.221 1.00 0.00 O ATOM 1740 CB LEU A 111 1.102 -8.309 6.660 1.00 0.00 C ATOM 1741 CG LEU A 111 2.570 -7.879 6.805 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.604 -8.954 7.116 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.032 -7.101 5.568 1.00 0.00 C ATOM 0 H LEU A 111 -0.612 -10.566 6.639 1.00 0.00 H new ATOM 0 HA LEU A 111 1.253 -9.352 8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.990 -8.812 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.488 -7.409 6.622 1.00 0.00 H new ATOM 0 HG LEU A 111 2.538 -7.263 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.592 -8.499 7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.356 -9.435 8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.605 -9.699 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.074 -6.806 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.936 -7.732 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.415 -6.211 5.447 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.929 -7.897 9.172 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.991 -6.948 9.355 1.00 0.00 C ATOM 1757 C PRO A 112 -1.758 -5.856 8.358 1.00 0.00 C ATOM 1758 O PRO A 112 -0.629 -5.411 8.236 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.771 -6.447 10.777 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.156 -7.644 11.495 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.275 -8.255 10.413 1.00 0.00 C ATOM 0 HA PRO A 112 -3.001 -7.334 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.106 -5.583 10.798 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.708 -6.140 11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.577 -7.341 12.368 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.916 -8.343 11.844 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.740 -7.859 10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.200 -9.337 10.525 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.787 -5.424 7.611 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.622 -4.364 6.659 1.00 0.00 C ATOM 1771 C VAL A 113 -3.496 -3.233 7.082 1.00 0.00 C ATOM 1772 O VAL A 113 -3.303 -2.104 6.631 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.930 -4.742 5.223 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.764 -5.599 4.691 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.289 -5.463 5.097 1.00 0.00 C ATOM 0 H VAL A 113 -3.732 -5.805 7.663 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.565 -4.096 6.658 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.022 -3.841 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.963 -5.883 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.839 -5.024 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.664 -6.496 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.471 -5.716 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.274 -6.375 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.083 -4.808 5.455 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.494 -3.516 7.944 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.489 -2.523 8.238 1.00 0.00 C ATOM 1787 C HIS A 114 -5.962 -2.835 9.620 1.00 0.00 C ATOM 1788 O HIS A 114 -5.468 -3.770 10.246 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.625 -2.613 7.181 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.999 -2.092 7.514 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.339 -0.775 7.360 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -9.116 -2.749 7.923 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.623 -0.638 7.663 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -10.118 -1.820 8.006 1.00 0.00 N ATOM 0 H HIS A 114 -4.613 -4.407 8.426 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.111 -1.502 8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.284 -2.085 6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.732 -3.663 6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.198 -3.804 8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.177 0.288 7.635 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -11.082 -2.005 8.284 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.911 -2.027 10.132 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.470 -2.191 11.439 1.00 0.00 C ATOM 1805 C LEU A 115 -8.841 -1.631 11.343 1.00 0.00 C ATOM 1806 O LEU A 115 -9.060 -0.543 10.810 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.607 -1.483 12.494 1.00 0.00 C ATOM 1808 CG LEU A 115 -7.203 -0.986 13.827 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.835 -2.066 14.716 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.188 -0.212 14.676 1.00 0.00 C ATOM 0 H LEU A 115 -7.301 -1.236 9.620 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.501 -3.233 11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.794 -2.164 12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.158 -0.618 12.006 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.005 -0.330 13.489 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -8.222 -1.608 15.626 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.651 -2.549 14.178 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.082 -2.810 14.976 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.662 0.114 15.602 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.341 -0.857 14.909 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.839 0.659 14.121 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.784 -2.427 11.870 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.186 -2.164 11.861 1.00 0.00 C ATOM 1824 C ASP A 116 -11.451 -1.191 12.958 1.00 0.00 C ATOM 1825 O ASP A 116 -11.118 -1.419 14.119 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.988 -3.455 12.089 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.483 -3.188 12.032 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -13.955 -2.597 11.025 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -14.177 -3.597 12.999 1.00 0.00 O ATOM 0 H ASP A 116 -9.553 -3.307 12.330 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.493 -1.762 10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.718 -4.193 11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.728 -3.882 13.058 1.00 0.00 H new ATOM 1834 N GLN A 117 -12.060 -0.057 12.566 1.00 0.00 N ATOM 1835 CA GLN A 117 -12.188 1.109 13.385 1.00 0.00 C ATOM 1836 C GLN A 117 -13.594 1.205 13.920 1.00 0.00 C ATOM 1837 O GLN A 117 -14.053 2.296 14.251 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.900 2.354 12.512 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.448 2.832 12.610 1.00 0.00 C ATOM 1840 CD GLN A 117 -10.269 3.351 14.033 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -11.127 4.075 14.549 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.143 2.939 14.683 1.00 0.00 N ATOM 0 H GLN A 117 -12.480 0.052 11.643 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.488 1.052 14.218 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.131 2.123 11.472 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.564 3.164 12.814 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.755 2.017 12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.246 3.616 11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.469 2.341 14.206 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.975 3.229 15.646 1.00 0.00 H new ATOM 1851 N SER A 118 -14.327 0.072 14.015 1.00 0.00 N ATOM 1852 CA SER A 118 -15.743 0.129 14.270 1.00 0.00 C ATOM 1853 C SER A 118 -16.071 0.308 15.720 1.00 0.00 C ATOM 1854 O SER A 118 -17.094 0.919 16.028 1.00 0.00 O ATOM 1855 CB SER A 118 -16.529 -1.094 13.765 1.00 0.00 C ATOM 1856 OG SER A 118 -16.246 -2.243 14.547 1.00 0.00 O ATOM 0 H SER A 118 -13.947 -0.870 13.917 1.00 0.00 H new ATOM 0 HA SER A 118 -16.054 1.006 13.702 1.00 0.00 H new ATOM 0 HB2 SER A 118 -17.598 -0.882 13.798 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.275 -1.288 12.723 1.00 0.00 H new ATOM 0 HG SER A 118 -15.552 -2.776 14.106 1.00 0.00 H new ATOM 1862 N ILE A 119 -15.231 -0.228 16.643 1.00 0.00 N ATOM 1863 CA ILE A 119 -15.539 -0.179 18.049 1.00 0.00 C ATOM 1864 C ILE A 119 -14.995 1.111 18.551 1.00 0.00 C ATOM 1865 O ILE A 119 -15.524 1.700 19.491 1.00 0.00 O ATOM 1866 CB ILE A 119 -15.052 -1.363 18.892 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -13.661 -1.264 19.568 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -15.068 -2.591 17.972 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -13.660 -0.667 20.985 1.00 0.00 C ATOM 0 H ILE A 119 -14.350 -0.689 16.417 1.00 0.00 H new ATOM 0 HA ILE A 119 -16.621 -0.252 18.156 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.732 -1.406 19.743 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.225 -2.262 19.612 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -13.011 -0.659 18.936 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.728 -3.466 18.527 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -16.082 -2.762 17.611 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.405 -2.419 17.124 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.640 -0.642 21.368 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.061 0.346 20.953 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.278 -1.282 21.639 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.873 1.541 17.936 1.00 0.00 N ATOM 1882 CA PHE A 120 -13.052 2.582 18.463 1.00 0.00 C ATOM 1883 C PHE A 120 -13.613 3.902 18.046 1.00 0.00 C ATOM 1884 O PHE A 120 -13.340 4.917 18.685 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.598 2.481 17.971 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.988 1.171 18.380 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.651 0.921 19.701 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -10.718 0.196 17.432 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -10.040 -0.265 20.063 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -10.108 -0.991 17.793 1.00 0.00 C ATOM 1891 CZ PHE A 120 -9.764 -1.221 19.108 1.00 0.00 C ATOM 0 H PHE A 120 -13.534 1.155 17.055 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.045 2.483 19.548 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.569 2.578 16.886 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.012 3.304 18.381 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.868 1.662 20.456 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.987 0.366 16.400 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.778 -0.443 21.096 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -9.900 -1.740 17.043 1.00 0.00 H new ATOM 0 HZ PHE A 120 -9.281 -2.145 19.389 1.00 0.00 H new