USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 548 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 64 SER OG : rot -96:sc= 1.26 USER MOD Set 1.2: A 65 THR OG1 : rot 54:sc= 1.28 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.917 K(o=1.7,f=-1) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.328 K(o=1.7,f=0.46) USER MOD Set 2.3: A 61 HIS : no HE2:sc= 1.08 K(o=1.7,f=-3.8!) USER MOD Set 3.1: A 39 HIS : no HE2:sc= -1.69! C(o=-0.99!,f=-6!) USER MOD Set 3.2: A 63 HIS : no HE2:sc= 0.704 K(o=-0.99,f=-4.6!) USER MOD Set 4.1: A 15 HIS : no HD1:sc= -0.216 K(o=0.43,f=-5.8) USER MOD Set 4.2: A 20 SER OG : rot 113:sc= 0.647 USER MOD Set 5.1: A 13 GLN : amide:sc= 0.84 K(o=4.1,f=-13!) USER MOD Set 5.2: A 14 LYS NZ :NH3+ -175:sc= 3.21 (180deg=1.91) USER MOD Single : A 6 TYR OH : rot 57:sc= 1.28 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -176:sc= -0.55 USER MOD Single : A 16 ASN : amide:sc= -1.12! C(o=-1.1!,f=-6.8!) USER MOD Single : A 21 THR OG1 : rot -130:sc= -0.102 USER MOD Single : A 26 HIS : no HE2:sc= 0.996 K(o=1,f=-6.3!) USER MOD Single : A 27 TYR OH : rot -112:sc= 1.15 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0.889) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 72:sc= 2 USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 2.17 (180deg=1.69) USER MOD Single : A 55 THR OG1 : rot 87:sc= 1.91 USER MOD Single : A 71 SER OG : rot 58:sc= 0.644 USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.06 (180deg=0.948) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.370 13.267 -1.950 1.00 10.00 N ATOM 52 CA TYR A 6 -8.166 12.083 -1.682 1.00 10.00 C ATOM 53 C TYR A 6 -8.363 11.204 -2.898 1.00 10.00 C ATOM 54 O TYR A 6 -8.243 11.584 -4.059 1.00 10.00 O ATOM 55 CB TYR A 6 -9.537 12.348 -1.050 1.00 10.00 C ATOM 56 CG TYR A 6 -9.620 12.458 0.445 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.694 11.250 1.145 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.022 13.649 1.074 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.079 11.224 2.484 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.368 13.632 2.439 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.323 12.426 3.163 1.00 10.00 C ATOM 62 OH TYR A 6 -10.469 12.429 4.514 1.00 10.00 O ATOM 0 HA TYR A 6 -7.556 11.561 -0.945 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.926 13.274 -1.474 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.208 11.548 -1.363 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.450 10.326 0.642 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.065 14.571 0.514 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.189 10.280 2.997 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.668 14.545 2.931 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.674 12.035 4.930 1.00 10.00 H new ATOM 72 N TYR A 7 -8.593 9.952 -2.556 1.00 10.00 N ATOM 73 CA TYR A 7 -8.372 8.844 -3.403 1.00 10.00 C ATOM 74 C TYR A 7 -9.527 7.899 -3.148 1.00 10.00 C ATOM 75 O TYR A 7 -9.712 7.374 -2.051 1.00 10.00 O ATOM 76 CB TYR A 7 -7.008 8.351 -2.984 1.00 10.00 C ATOM 77 CG TYR A 7 -5.886 9.192 -3.572 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.655 9.191 -4.958 1.00 10.00 C ATOM 79 CD2 TYR A 7 -5.334 10.229 -2.803 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.728 10.082 -5.526 1.00 10.00 C ATOM 81 CE2 TYR A 7 -4.410 11.124 -3.362 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.055 11.007 -4.714 1.00 10.00 C ATOM 83 OH TYR A 7 -3.196 11.902 -5.274 1.00 10.00 O ATOM 0 H TYR A 7 -8.954 9.690 -1.638 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.356 9.015 -4.479 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.937 8.364 -1.896 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -6.886 7.315 -3.299 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.193 8.501 -5.591 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -5.624 10.339 -1.769 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.534 10.054 -6.588 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -3.973 11.901 -2.753 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.814 12.471 -4.574 1.00 10.00 H new ATOM 93 N THR A 8 -10.379 7.795 -4.152 1.00 10.00 N ATOM 94 CA THR A 8 -11.597 7.017 -4.030 1.00 10.00 C ATOM 95 C THR A 8 -11.237 5.545 -4.208 1.00 10.00 C ATOM 96 O THR A 8 -10.230 5.224 -4.840 1.00 10.00 O ATOM 97 CB THR A 8 -12.638 7.475 -5.057 1.00 10.00 C ATOM 98 OG1 THR A 8 -12.110 7.313 -6.350 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.014 8.948 -4.877 1.00 10.00 C ATOM 0 H THR A 8 -10.249 8.240 -5.061 1.00 10.00 H new ATOM 0 HA THR A 8 -12.044 7.163 -3.047 1.00 10.00 H new ATOM 0 HB THR A 8 -13.532 6.869 -4.911 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.746 7.662 -7.009 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.754 9.229 -5.626 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.431 9.098 -3.881 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.125 9.568 -4.995 1.00 10.00 H new ATOM 107 N LEU A 9 -12.051 4.630 -3.687 1.00 10.00 N ATOM 108 CA LEU A 9 -11.867 3.206 -3.931 1.00 10.00 C ATOM 109 C LEU A 9 -11.822 2.923 -5.429 1.00 10.00 C ATOM 110 O LEU A 9 -10.994 2.126 -5.868 1.00 10.00 O ATOM 111 CB LEU A 9 -12.897 2.407 -3.136 1.00 10.00 C ATOM 112 CG LEU A 9 -13.159 0.955 -3.572 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.730 0.180 -2.377 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.169 0.848 -4.725 1.00 10.00 C ATOM 0 H LEU A 9 -12.848 4.853 -3.090 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.899 2.868 -3.562 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.580 2.393 -2.093 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.844 2.946 -3.175 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.209 0.547 -3.917 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.921 -0.852 -2.671 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.013 0.197 -1.556 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.662 0.644 -2.054 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.312 -0.200 -4.987 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.122 1.278 -4.415 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.791 1.391 -5.591 1.00 10.00 H new ATOM 126 N GLU A 10 -12.644 3.635 -6.212 1.00 10.00 N ATOM 127 CA GLU A 10 -12.576 3.623 -7.667 1.00 10.00 C ATOM 128 C GLU A 10 -11.118 3.693 -8.111 1.00 10.00 C ATOM 129 O GLU A 10 -10.640 2.760 -8.754 1.00 10.00 O ATOM 130 CB GLU A 10 -13.389 4.789 -8.246 1.00 10.00 C ATOM 131 CG GLU A 10 -13.457 4.810 -9.782 1.00 10.00 C ATOM 132 CD GLU A 10 -14.122 3.572 -10.363 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.364 3.499 -10.288 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.365 2.708 -10.860 1.00 10.00 O ATOM 0 H GLU A 10 -13.379 4.239 -5.843 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.008 2.696 -8.044 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.403 4.742 -7.849 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.955 5.727 -7.900 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.005 5.695 -10.104 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.448 4.896 -10.184 1.00 10.00 H new ATOM 141 N GLU A 11 -10.412 4.762 -7.732 1.00 10.00 N ATOM 142 CA GLU A 11 -9.000 4.934 -8.061 1.00 10.00 C ATOM 143 C GLU A 11 -8.178 3.807 -7.457 1.00 10.00 C ATOM 144 O GLU A 11 -7.313 3.222 -8.108 1.00 10.00 O ATOM 145 CB GLU A 11 -8.439 6.244 -7.478 1.00 10.00 C ATOM 146 CG GLU A 11 -9.111 7.515 -8.011 1.00 10.00 C ATOM 147 CD GLU A 11 -8.543 8.791 -7.413 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.423 9.200 -7.797 1.00 10.00 O ATOM 149 OE2 GLU A 11 -9.236 9.403 -6.573 1.00 10.00 O ATOM 0 H GLU A 11 -10.806 5.530 -7.189 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.933 4.943 -9.149 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.545 6.219 -6.393 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.372 6.295 -7.693 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.000 7.549 -9.095 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -10.180 7.468 -7.801 1.00 10.00 H new ATOM 156 N ILE A 12 -8.387 3.564 -6.167 1.00 10.00 N ATOM 157 CA ILE A 12 -7.455 2.769 -5.406 1.00 10.00 C ATOM 158 C ILE A 12 -7.386 1.352 -5.968 1.00 10.00 C ATOM 159 O ILE A 12 -6.292 0.811 -6.105 1.00 10.00 O ATOM 160 CB ILE A 12 -7.800 2.796 -3.903 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.575 4.188 -3.287 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.981 1.761 -3.130 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.401 4.395 -2.014 1.00 10.00 C ATOM 0 H ILE A 12 -9.189 3.907 -5.638 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.460 3.203 -5.501 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.859 2.550 -3.823 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.517 4.315 -3.057 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.837 4.954 -4.017 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.245 1.803 -2.073 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.194 0.765 -3.518 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.919 1.976 -3.247 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.210 5.391 -1.614 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.461 4.295 -2.248 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.121 3.647 -1.273 1.00 10.00 H new ATOM 175 N GLN A 13 -8.536 0.771 -6.327 1.00 10.00 N ATOM 176 CA GLN A 13 -8.579 -0.577 -6.894 1.00 10.00 C ATOM 177 C GLN A 13 -7.694 -0.597 -8.133 1.00 10.00 C ATOM 178 O GLN A 13 -6.839 -1.454 -8.339 1.00 10.00 O ATOM 179 CB GLN A 13 -9.988 -0.891 -7.418 1.00 10.00 C ATOM 180 CG GLN A 13 -11.094 -1.191 -6.409 1.00 10.00 C ATOM 181 CD GLN A 13 -12.420 -1.400 -7.143 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.513 -0.929 -8.304 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.306 -2.045 -6.548 1.00 10.00 N ATOM 0 H GLN A 13 -9.449 1.216 -6.234 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.271 -1.284 -6.123 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.313 -0.044 -8.022 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.909 -1.748 -8.087 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.842 -2.081 -5.833 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.186 -0.368 -5.700 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.138 -2.389 -5.602 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.198 -2.229 -7.007 1.00 10.00 H new ATOM 190 N LYS A 14 -8.004 0.382 -8.977 1.00 10.00 N ATOM 191 CA LYS A 14 -7.436 0.650 -10.271 1.00 10.00 C ATOM 192 C LYS A 14 -5.912 0.659 -10.153 1.00 10.00 C ATOM 193 O LYS A 14 -5.223 -0.023 -10.911 1.00 10.00 O ATOM 194 CB LYS A 14 -8.022 2.003 -10.712 1.00 10.00 C ATOM 195 CG LYS A 14 -8.789 2.007 -12.040 1.00 10.00 C ATOM 196 CD LYS A 14 -10.314 1.831 -11.864 1.00 10.00 C ATOM 197 CE LYS A 14 -10.786 0.528 -11.180 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.813 0.791 -10.150 1.00 10.00 N ATOM 0 H LYS A 14 -8.726 1.063 -8.740 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.676 -0.106 -11.018 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.691 2.358 -9.929 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.206 2.722 -10.785 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.596 2.945 -12.561 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.408 1.206 -12.674 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.690 2.675 -11.285 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.779 1.887 -12.848 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.190 -0.151 -11.931 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -9.932 0.027 -10.723 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.043 -0.094 -9.655 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.449 1.485 -9.466 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.670 1.168 -10.603 1.00 10.00 H new ATOM 212 N HIS A 15 -5.384 1.397 -9.175 1.00 10.00 N ATOM 213 CA HIS A 15 -3.958 1.438 -8.891 1.00 10.00 C ATOM 214 C HIS A 15 -3.468 0.157 -8.206 1.00 10.00 C ATOM 215 O HIS A 15 -3.045 0.149 -7.048 1.00 10.00 O ATOM 216 CB HIS A 15 -3.620 2.684 -8.083 1.00 10.00 C ATOM 217 CG HIS A 15 -3.543 3.932 -8.920 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.394 4.640 -9.173 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.549 4.505 -9.653 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.701 5.619 -10.039 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.001 5.573 -10.371 1.00 10.00 N ATOM 0 H HIS A 15 -5.942 1.985 -8.556 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.425 1.493 -9.840 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.373 2.821 -7.307 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.666 2.534 -7.578 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.581 4.188 -9.673 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.997 6.345 -10.417 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.491 6.192 -11.017 1.00 10.00 H new ATOM 229 N ASN A 16 -3.444 -0.922 -8.982 1.00 10.00 N ATOM 230 CA ASN A 16 -2.721 -2.147 -8.667 1.00 10.00 C ATOM 231 C ASN A 16 -2.296 -2.892 -9.937 1.00 10.00 C ATOM 232 O ASN A 16 -2.072 -4.100 -9.893 1.00 10.00 O ATOM 233 CB ASN A 16 -3.527 -3.020 -7.688 1.00 10.00 C ATOM 234 CG ASN A 16 -4.778 -3.680 -8.271 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.958 -3.803 -9.481 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.620 -4.245 -7.410 1.00 10.00 N ATOM 0 H ASN A 16 -3.941 -0.969 -9.872 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.795 -1.882 -8.157 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.872 -3.801 -7.301 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.824 -2.404 -6.839 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.417 -4.781 -7.753 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.469 -4.142 -6.407 1.00 10.00 H new ATOM 290 N SER A 20 0.375 2.402 -10.707 1.00 10.00 N ATOM 291 CA SER A 20 1.024 2.474 -9.425 1.00 10.00 C ATOM 292 C SER A 20 0.299 1.401 -8.617 1.00 10.00 C ATOM 293 O SER A 20 -0.753 0.918 -9.046 1.00 10.00 O ATOM 294 CB SER A 20 0.940 3.867 -8.783 1.00 10.00 C ATOM 295 OG SER A 20 0.331 4.811 -9.645 1.00 10.00 O ATOM 0 HA SER A 20 2.099 2.305 -9.487 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.373 3.805 -7.854 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.942 4.207 -8.522 1.00 10.00 H new ATOM 0 HG SER A 20 -0.532 5.086 -9.271 1.00 10.00 H new ATOM 301 N THR A 21 0.889 0.986 -7.511 1.00 10.00 N ATOM 302 CA THR A 21 0.383 -0.069 -6.655 1.00 10.00 C ATOM 303 C THR A 21 0.122 0.521 -5.271 1.00 10.00 C ATOM 304 O THR A 21 1.061 0.831 -4.533 1.00 10.00 O ATOM 305 CB THR A 21 1.373 -1.234 -6.673 1.00 10.00 C ATOM 306 OG1 THR A 21 1.627 -1.570 -8.024 1.00 10.00 O ATOM 307 CG2 THR A 21 0.809 -2.464 -5.964 1.00 10.00 C ATOM 0 H THR A 21 1.763 1.388 -7.173 1.00 10.00 H new ATOM 0 HA THR A 21 -0.567 -0.474 -7.005 1.00 10.00 H new ATOM 0 HB THR A 21 2.282 -0.929 -6.153 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.518 -2.536 -8.147 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.541 -3.271 -5.997 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.589 -2.216 -4.926 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.106 -2.784 -6.462 1.00 10.00 H new ATOM 315 N TRP A 22 -1.166 0.725 -4.989 1.00 10.00 N ATOM 316 CA TRP A 22 -1.719 1.474 -3.874 1.00 10.00 C ATOM 317 C TRP A 22 -2.290 0.514 -2.844 1.00 10.00 C ATOM 318 O TRP A 22 -2.755 -0.555 -3.213 1.00 10.00 O ATOM 319 CB TRP A 22 -2.822 2.375 -4.441 1.00 10.00 C ATOM 320 CG TRP A 22 -2.347 3.637 -5.092 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.079 3.930 -5.444 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.140 4.763 -5.547 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.042 5.127 -6.123 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.304 5.664 -6.268 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.487 5.115 -5.403 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.814 6.808 -6.903 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.025 6.211 -6.087 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.202 7.026 -6.883 1.00 10.00 C ATOM 0 H TRP A 22 -1.900 0.339 -5.583 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.953 2.074 -3.382 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.396 1.803 -5.170 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.505 2.637 -3.633 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.218 3.316 -5.225 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.189 5.562 -6.474 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.122 4.531 -4.753 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.153 7.506 -7.396 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.079 6.432 -6.003 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.635 7.817 -7.477 1.00 10.00 H new ATOM 339 N LEU A 23 -2.280 0.859 -1.557 1.00 10.00 N ATOM 340 CA LEU A 23 -2.987 0.087 -0.539 1.00 10.00 C ATOM 341 C LEU A 23 -3.435 1.015 0.579 1.00 10.00 C ATOM 342 O LEU A 23 -2.894 2.113 0.705 1.00 10.00 O ATOM 343 CB LEU A 23 -2.164 -1.094 0.021 1.00 10.00 C ATOM 344 CG LEU A 23 -0.739 -1.272 -0.507 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.149 -0.331 0.281 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.254 -2.714 -0.340 1.00 10.00 C ATOM 0 H LEU A 23 -1.786 1.674 -1.194 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.855 -0.363 -1.021 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.111 -0.984 1.104 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.715 -2.013 -0.179 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.708 -1.048 -1.573 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.178 -0.427 -0.065 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.189 0.695 0.136 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.098 -0.584 1.340 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.762 -2.803 -0.726 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.266 -2.982 0.717 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.912 -3.385 -0.892 1.00 10.00 H new ATOM 358 N ILE A 24 -4.410 0.570 1.379 1.00 10.00 N ATOM 359 CA ILE A 24 -4.849 1.280 2.574 1.00 10.00 C ATOM 360 C ILE A 24 -4.202 0.638 3.794 1.00 10.00 C ATOM 361 O ILE A 24 -4.331 -0.568 3.985 1.00 10.00 O ATOM 362 CB ILE A 24 -6.390 1.287 2.701 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.130 1.528 1.370 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.817 2.341 3.727 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.637 1.278 1.484 1.00 10.00 C ATOM 0 H ILE A 24 -4.917 -0.299 1.210 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.537 2.322 2.501 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.673 0.287 3.029 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.959 2.554 1.043 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.714 0.875 0.603 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.903 2.344 3.815 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.375 2.106 4.695 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.476 3.324 3.402 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.110 1.462 0.519 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.813 0.245 1.783 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.062 1.949 2.230 1.00 10.00 H new ATOM 377 N LEU A 25 -3.508 1.452 4.596 1.00 10.00 N ATOM 378 CA LEU A 25 -2.882 1.069 5.855 1.00 10.00 C ATOM 379 C LEU A 25 -3.329 2.105 6.886 1.00 10.00 C ATOM 380 O LEU A 25 -2.749 3.179 6.969 1.00 10.00 O ATOM 381 CB LEU A 25 -1.353 1.080 5.730 1.00 10.00 C ATOM 382 CG LEU A 25 -0.687 -0.245 5.335 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.137 -0.781 3.978 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.834 -0.054 5.312 1.00 10.00 C ATOM 0 H LEU A 25 -3.364 2.436 4.371 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.175 0.059 6.144 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.077 1.833 4.992 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.935 1.400 6.685 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.991 -0.980 6.081 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.623 -1.719 3.769 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.213 -0.952 3.993 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.896 -0.055 3.202 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.314 -0.992 5.032 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.093 0.717 4.586 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.178 0.248 6.301 1.00 10.00 H new ATOM 396 N HIS A 26 -4.369 1.812 7.661 1.00 10.00 N ATOM 397 CA HIS A 26 -4.939 2.745 8.624 1.00 10.00 C ATOM 398 C HIS A 26 -5.579 3.927 7.903 1.00 10.00 C ATOM 399 O HIS A 26 -5.311 5.081 8.234 1.00 10.00 O ATOM 400 CB HIS A 26 -3.908 3.232 9.660 1.00 10.00 C ATOM 401 CG HIS A 26 -2.961 2.191 10.223 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.160 1.463 11.373 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.659 1.991 9.835 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.005 0.842 11.668 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.048 1.141 10.769 1.00 10.00 N ATOM 0 H HIS A 26 -4.844 0.910 7.637 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.707 2.205 9.177 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.312 4.021 9.201 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.449 3.684 10.491 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.028 1.405 11.906 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.187 2.415 8.961 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -1.863 0.188 12.516 1.00 10.00 H new ATOM 413 N TYR A 27 -6.442 3.638 6.926 1.00 10.00 N ATOM 414 CA TYR A 27 -7.321 4.603 6.269 1.00 10.00 C ATOM 415 C TYR A 27 -6.598 5.525 5.275 1.00 10.00 C ATOM 416 O TYR A 27 -7.124 5.826 4.199 1.00 10.00 O ATOM 417 CB TYR A 27 -8.111 5.386 7.322 1.00 10.00 C ATOM 418 CG TYR A 27 -9.265 6.142 6.729 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.469 5.468 6.476 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.086 7.467 6.303 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.523 6.143 5.843 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.123 8.124 5.623 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.331 7.453 5.379 1.00 10.00 C ATOM 424 OH TYR A 27 -12.336 8.084 4.713 1.00 10.00 O ATOM 0 H TYR A 27 -6.550 2.692 6.559 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.020 4.037 5.653 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.483 4.696 8.080 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -7.444 6.085 7.827 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.584 4.434 6.767 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -8.155 7.979 6.497 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.478 5.656 5.713 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -9.992 9.143 5.289 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.079 8.209 3.776 1.00 10.00 H new ATOM 434 N LYS A 28 -5.389 5.966 5.630 1.00 10.00 N ATOM 435 CA LYS A 28 -4.460 6.585 4.699 1.00 10.00 C ATOM 436 C LYS A 28 -4.154 5.604 3.560 1.00 10.00 C ATOM 437 O LYS A 28 -4.329 4.392 3.709 1.00 10.00 O ATOM 438 CB LYS A 28 -3.187 7.014 5.442 1.00 10.00 C ATOM 439 CG LYS A 28 -3.376 8.251 6.320 1.00 10.00 C ATOM 440 CD LYS A 28 -3.288 9.567 5.536 1.00 10.00 C ATOM 441 CE LYS A 28 -3.681 10.745 6.441 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.898 11.995 5.686 1.00 10.00 N ATOM 0 H LYS A 28 -5.030 5.900 6.582 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.904 7.480 4.264 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.843 6.187 6.064 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.401 7.213 4.713 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.346 8.194 6.814 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.619 8.251 7.104 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.275 9.709 5.160 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.947 9.528 4.669 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.590 10.492 6.986 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -2.899 10.905 7.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.925 12.799 6.346 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.121 12.130 5.008 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.800 11.938 5.172 1.00 10.00 H new ATOM 456 N VAL A 29 -3.690 6.144 2.431 1.00 10.00 N ATOM 457 CA VAL A 29 -3.410 5.415 1.195 1.00 10.00 C ATOM 458 C VAL A 29 -1.934 5.571 0.843 1.00 10.00 C ATOM 459 O VAL A 29 -1.369 6.661 0.975 1.00 10.00 O ATOM 460 CB VAL A 29 -4.311 5.893 0.049 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.902 5.316 -1.311 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.753 5.452 0.280 1.00 10.00 C ATOM 0 H VAL A 29 -3.492 7.141 2.351 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.629 4.358 1.348 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.210 6.978 0.037 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.576 5.690 -2.082 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.881 5.619 -1.543 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.958 4.228 -1.276 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.376 5.801 -0.543 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.797 4.364 0.333 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.118 5.876 1.216 1.00 10.00 H new ATOM 472 N TYR A 30 -1.337 4.458 0.414 1.00 10.00 N ATOM 473 CA TYR A 30 0.087 4.192 0.418 1.00 10.00 C ATOM 474 C TYR A 30 0.470 3.679 -0.962 1.00 10.00 C ATOM 475 O TYR A 30 -0.001 2.603 -1.330 1.00 10.00 O ATOM 476 CB TYR A 30 0.301 3.107 1.483 1.00 10.00 C ATOM 477 CG TYR A 30 0.164 3.630 2.894 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.125 3.814 3.413 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.279 4.028 3.648 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.301 4.422 4.659 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.094 4.590 4.927 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.197 4.797 5.429 1.00 10.00 C ATOM 483 OH TYR A 30 -0.373 5.393 6.641 1.00 10.00 O ATOM 0 H TYR A 30 -1.873 3.678 0.034 1.00 10.00 H new ATOM 0 HA TYR A 30 0.692 5.071 0.639 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.421 2.305 1.327 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.293 2.673 1.357 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.985 3.485 2.848 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.275 3.904 3.249 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.299 4.604 5.030 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.952 4.863 5.523 1.00 10.00 H new ATOM 0 HH TYR A 30 0.501 5.586 7.041 1.00 10.00 H new ATOM 493 N ASP A 31 1.290 4.422 -1.715 1.00 10.00 N ATOM 494 CA ASP A 31 1.799 3.976 -3.014 1.00 10.00 C ATOM 495 C ASP A 31 3.182 3.391 -2.803 1.00 10.00 C ATOM 496 O ASP A 31 3.999 4.042 -2.153 1.00 10.00 O ATOM 497 CB ASP A 31 1.947 5.143 -3.990 1.00 10.00 C ATOM 498 CG ASP A 31 2.115 4.694 -5.439 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.708 3.617 -5.674 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.586 5.418 -6.311 1.00 10.00 O ATOM 0 H ASP A 31 1.618 5.348 -1.440 1.00 10.00 H new ATOM 0 HA ASP A 31 1.096 3.251 -3.426 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.070 5.786 -3.914 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.809 5.744 -3.700 1.00 10.00 H new ATOM 505 N LEU A 32 3.449 2.196 -3.330 1.00 10.00 N ATOM 506 CA LEU A 32 4.757 1.572 -3.162 1.00 10.00 C ATOM 507 C LEU A 32 5.485 1.395 -4.495 1.00 10.00 C ATOM 508 O LEU A 32 6.637 1.803 -4.624 1.00 10.00 O ATOM 509 CB LEU A 32 4.668 0.246 -2.387 1.00 10.00 C ATOM 510 CG LEU A 32 3.533 0.126 -1.371 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.518 -1.286 -0.790 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.712 1.079 -0.192 1.00 10.00 C ATOM 0 H LEU A 32 2.782 1.646 -3.872 1.00 10.00 H new ATOM 0 HA LEU A 32 5.353 2.258 -2.560 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.567 -0.565 -3.108 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.612 0.092 -1.864 1.00 10.00 H new ATOM 0 HG LEU A 32 2.611 0.367 -1.900 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.709 -1.373 -0.065 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.365 -2.008 -1.592 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.469 -1.487 -0.297 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.881 0.958 0.503 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.648 0.854 0.319 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.734 2.107 -0.555 1.00 10.00 H new ATOM 524 N THR A 33 4.833 0.750 -5.467 1.00 10.00 N ATOM 525 CA THR A 33 5.299 0.491 -6.833 1.00 10.00 C ATOM 526 C THR A 33 6.794 0.158 -6.970 1.00 10.00 C ATOM 527 O THR A 33 7.132 -1.014 -7.050 1.00 10.00 O ATOM 528 CB THR A 33 4.849 1.644 -7.744 1.00 10.00 C ATOM 529 OG1 THR A 33 3.486 1.915 -7.498 1.00 10.00 O ATOM 530 CG2 THR A 33 5.001 1.284 -9.225 1.00 10.00 C ATOM 0 H THR A 33 3.900 0.368 -5.309 1.00 10.00 H new ATOM 0 HA THR A 33 4.827 -0.436 -7.159 1.00 10.00 H new ATOM 0 HB THR A 33 5.475 2.509 -7.526 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.391 2.351 -6.625 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.673 2.123 -9.839 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.046 1.063 -9.440 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.392 0.409 -9.451 1.00 10.00 H new ATOM 538 N LYS A 34 7.718 1.125 -6.992 1.00 10.00 N ATOM 539 CA LYS A 34 9.145 0.800 -7.046 1.00 10.00 C ATOM 540 C LYS A 34 9.521 -0.141 -5.895 1.00 10.00 C ATOM 541 O LYS A 34 10.384 -1.004 -6.032 1.00 10.00 O ATOM 542 CB LYS A 34 9.986 2.089 -7.032 1.00 10.00 C ATOM 543 CG LYS A 34 11.460 1.853 -7.415 1.00 10.00 C ATOM 544 CD LYS A 34 12.376 1.428 -6.250 1.00 10.00 C ATOM 545 CE LYS A 34 13.278 0.262 -6.684 1.00 10.00 C ATOM 546 NZ LYS A 34 14.205 -0.181 -5.623 1.00 10.00 N ATOM 0 H LYS A 34 7.507 2.123 -6.974 1.00 10.00 H new ATOM 0 HA LYS A 34 9.359 0.278 -7.979 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.548 2.809 -7.723 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.942 2.534 -6.038 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.500 1.085 -8.188 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.857 2.768 -7.854 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.988 2.272 -5.932 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.772 1.131 -5.392 1.00 10.00 H new ATOM 0 HE2 LYS A 34 12.654 -0.579 -6.987 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.854 0.563 -7.559 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.481 -1.169 -5.794 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.053 0.421 -5.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.735 -0.108 -4.698 1.00 10.00 H new ATOM 560 N PHE A 35 8.841 -0.001 -4.757 1.00 10.00 N ATOM 561 CA PHE A 35 9.137 -0.754 -3.556 1.00 10.00 C ATOM 562 C PHE A 35 8.851 -2.234 -3.773 1.00 10.00 C ATOM 563 O PHE A 35 9.437 -3.080 -3.114 1.00 10.00 O ATOM 564 CB PHE A 35 8.271 -0.250 -2.404 1.00 10.00 C ATOM 565 CG PHE A 35 8.756 -0.714 -1.047 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.064 -0.404 -0.625 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.960 -1.576 -0.273 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.603 -1.026 0.512 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.491 -2.176 0.878 1.00 10.00 C ATOM 570 CZ PHE A 35 9.825 -1.933 1.250 1.00 10.00 C ATOM 0 H PHE A 35 8.062 0.648 -4.650 1.00 10.00 H new ATOM 0 HA PHE A 35 10.192 -0.620 -3.317 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.251 0.840 -2.423 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.246 -0.590 -2.552 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.653 0.313 -1.177 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.940 -1.776 -0.565 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.615 -0.807 0.819 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.874 -2.826 1.480 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.251 -2.443 2.102 1.00 10.00 H new ATOM 580 N LEU A 36 7.944 -2.547 -4.696 1.00 10.00 N ATOM 581 CA LEU A 36 7.577 -3.903 -5.046 1.00 10.00 C ATOM 582 C LEU A 36 8.815 -4.760 -5.349 1.00 10.00 C ATOM 583 O LEU A 36 8.884 -5.919 -4.949 1.00 10.00 O ATOM 584 CB LEU A 36 6.654 -3.813 -6.261 1.00 10.00 C ATOM 585 CG LEU A 36 5.269 -3.195 -6.034 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.519 -3.378 -7.356 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.489 -3.867 -4.902 1.00 10.00 C ATOM 0 H LEU A 36 7.436 -1.842 -5.230 1.00 10.00 H new ATOM 0 HA LEU A 36 7.071 -4.389 -4.212 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.162 -3.233 -7.031 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.516 -4.819 -6.658 1.00 10.00 H new ATOM 0 HG LEU A 36 5.374 -2.151 -5.739 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.517 -2.958 -7.267 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.058 -2.866 -8.154 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.448 -4.440 -7.590 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.518 -3.384 -4.792 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.345 -4.922 -5.136 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.048 -3.775 -3.971 1.00 10.00 H new ATOM 599 N GLU A 37 9.799 -4.165 -6.031 1.00 10.00 N ATOM 600 CA GLU A 37 11.114 -4.744 -6.289 1.00 10.00 C ATOM 601 C GLU A 37 11.824 -5.099 -4.975 1.00 10.00 C ATOM 602 O GLU A 37 12.428 -6.158 -4.820 1.00 10.00 O ATOM 603 CB GLU A 37 11.917 -3.656 -7.020 1.00 10.00 C ATOM 604 CG GLU A 37 13.319 -4.066 -7.476 1.00 10.00 C ATOM 605 CD GLU A 37 14.165 -2.819 -7.690 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.983 -2.166 -8.738 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.896 -2.453 -6.742 1.00 10.00 O ATOM 0 H GLU A 37 9.694 -3.233 -6.432 1.00 10.00 H new ATOM 0 HA GLU A 37 11.026 -5.660 -6.873 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.349 -3.335 -7.893 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.006 -2.791 -6.362 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.783 -4.710 -6.729 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.259 -4.642 -8.400 1.00 10.00 H new ATOM 614 N GLU A 38 11.795 -4.128 -4.068 1.00 10.00 N ATOM 615 CA GLU A 38 12.637 -3.976 -2.893 1.00 10.00 C ATOM 616 C GLU A 38 12.139 -4.866 -1.749 1.00 10.00 C ATOM 617 O GLU A 38 12.915 -5.421 -0.974 1.00 10.00 O ATOM 618 CB GLU A 38 12.548 -2.485 -2.522 1.00 10.00 C ATOM 619 CG GLU A 38 13.816 -1.865 -1.936 1.00 10.00 C ATOM 620 CD GLU A 38 13.684 -0.350 -1.979 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.766 0.175 -3.114 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.443 0.243 -0.909 1.00 10.00 O ATOM 0 H GLU A 38 11.124 -3.364 -4.146 1.00 10.00 H new ATOM 0 HA GLU A 38 13.666 -4.279 -3.085 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.272 -1.924 -3.415 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.739 -2.357 -1.803 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.962 -2.202 -0.910 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.690 -2.184 -2.504 1.00 10.00 H new ATOM 629 N HIS A 39 10.816 -4.941 -1.629 1.00 10.00 N ATOM 630 CA HIS A 39 10.080 -5.530 -0.533 1.00 10.00 C ATOM 631 C HIS A 39 10.478 -6.995 -0.299 1.00 10.00 C ATOM 632 O HIS A 39 10.238 -7.822 -1.175 1.00 10.00 O ATOM 633 CB HIS A 39 8.591 -5.424 -0.882 1.00 10.00 C ATOM 634 CG HIS A 39 7.692 -5.972 0.190 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.618 -6.806 -0.006 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.729 -5.637 1.515 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.997 -6.930 1.181 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.643 -6.243 2.145 1.00 10.00 N ATOM 0 H HIS A 39 10.196 -4.565 -2.347 1.00 10.00 H new ATOM 0 HA HIS A 39 10.305 -5.000 0.392 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.339 -4.378 -1.059 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.404 -5.959 -1.813 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.344 -7.247 -0.884 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.470 -5.012 1.991 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.097 -7.505 1.341 1.00 10.00 H new ATOM 646 N PRO A 40 11.002 -7.359 0.886 1.00 10.00 N ATOM 647 CA PRO A 40 11.274 -8.746 1.248 1.00 10.00 C ATOM 648 C PRO A 40 10.069 -9.673 1.050 1.00 10.00 C ATOM 649 O PRO A 40 10.231 -10.819 0.646 1.00 10.00 O ATOM 650 CB PRO A 40 11.726 -8.710 2.711 1.00 10.00 C ATOM 651 CG PRO A 40 12.357 -7.324 2.832 1.00 10.00 C ATOM 652 CD PRO A 40 11.449 -6.470 1.947 1.00 10.00 C ATOM 0 HA PRO A 40 12.040 -9.164 0.595 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.888 -8.835 3.397 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.441 -9.502 2.934 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.367 -6.971 3.863 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.389 -7.316 2.482 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.604 -6.077 2.513 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.987 -5.613 1.542 1.00 10.00 H new ATOM 660 N GLY A 41 8.853 -9.180 1.316 1.00 10.00 N ATOM 661 CA GLY A 41 7.628 -9.938 1.089 1.00 10.00 C ATOM 662 C GLY A 41 7.346 -10.222 -0.392 1.00 10.00 C ATOM 663 O GLY A 41 6.448 -11.006 -0.691 1.00 10.00 O ATOM 0 H GLY A 41 8.697 -8.246 1.694 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.692 -10.884 1.626 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.787 -9.388 1.511 1.00 10.00 H new ATOM 667 N GLY A 42 8.068 -9.585 -1.321 1.00 10.00 N ATOM 668 CA GLY A 42 7.840 -9.731 -2.750 1.00 10.00 C ATOM 669 C GLY A 42 6.723 -8.817 -3.234 1.00 10.00 C ATOM 670 O GLY A 42 6.047 -8.158 -2.438 1.00 10.00 O ATOM 0 H GLY A 42 8.832 -8.949 -1.092 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.758 -9.503 -3.291 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.587 -10.767 -2.975 1.00 10.00 H new ATOM 674 N GLU A 43 6.557 -8.777 -4.558 1.00 10.00 N ATOM 675 CA GLU A 43 5.511 -8.024 -5.218 1.00 10.00 C ATOM 676 C GLU A 43 4.202 -8.804 -5.096 1.00 10.00 C ATOM 677 O GLU A 43 3.347 -8.378 -4.334 1.00 10.00 O ATOM 678 CB GLU A 43 5.960 -7.646 -6.638 1.00 10.00 C ATOM 679 CG GLU A 43 4.853 -7.060 -7.527 1.00 10.00 C ATOM 680 CD GLU A 43 4.049 -8.106 -8.294 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.521 -9.262 -8.353 1.00 10.00 O ATOM 682 OE2 GLU A 43 2.974 -7.725 -8.801 1.00 10.00 O ATOM 0 H GLU A 43 7.163 -9.280 -5.206 1.00 10.00 H new ATOM 0 HA GLU A 43 5.317 -7.063 -4.742 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.772 -6.922 -6.567 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.366 -8.533 -7.124 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.172 -6.479 -6.905 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.302 -6.369 -8.240 1.00 10.00 H new ATOM 689 N GLU A 44 4.049 -9.935 -5.786 1.00 10.00 N ATOM 690 CA GLU A 44 2.834 -10.749 -5.857 1.00 10.00 C ATOM 691 C GLU A 44 1.851 -10.576 -4.687 1.00 10.00 C ATOM 692 O GLU A 44 0.745 -10.081 -4.878 1.00 10.00 O ATOM 693 CB GLU A 44 3.205 -12.231 -6.021 1.00 10.00 C ATOM 694 CG GLU A 44 4.076 -12.507 -7.252 1.00 10.00 C ATOM 695 CD GLU A 44 4.319 -14.002 -7.410 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.112 -14.530 -6.602 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.689 -14.593 -8.313 1.00 10.00 O ATOM 0 H GLU A 44 4.809 -10.329 -6.340 1.00 10.00 H new ATOM 0 HA GLU A 44 2.297 -10.381 -6.731 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.733 -12.567 -5.129 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.291 -12.821 -6.092 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.588 -12.116 -8.145 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.029 -11.986 -7.155 1.00 10.00 H new ATOM 704 N VAL A 45 2.229 -10.977 -3.471 1.00 10.00 N ATOM 705 CA VAL A 45 1.355 -10.898 -2.299 1.00 10.00 C ATOM 706 C VAL A 45 1.012 -9.441 -1.945 1.00 10.00 C ATOM 707 O VAL A 45 -0.111 -9.107 -1.581 1.00 10.00 O ATOM 708 CB VAL A 45 2.025 -11.650 -1.129 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.303 -10.958 -0.634 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.077 -11.845 0.060 1.00 10.00 C ATOM 0 H VAL A 45 3.151 -11.366 -3.271 1.00 10.00 H new ATOM 0 HA VAL A 45 0.401 -11.377 -2.520 1.00 10.00 H new ATOM 0 HB VAL A 45 2.290 -12.625 -1.538 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.731 -11.530 0.189 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.024 -10.899 -1.449 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.062 -9.952 -0.290 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.596 -12.379 0.856 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.751 -10.872 0.428 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.209 -12.423 -0.258 1.00 10.00 H new ATOM 720 N LEU A 46 1.978 -8.537 -2.072 1.00 10.00 N ATOM 721 CA LEU A 46 1.760 -7.117 -1.867 1.00 10.00 C ATOM 722 C LEU A 46 0.768 -6.607 -2.924 1.00 10.00 C ATOM 723 O LEU A 46 -0.168 -5.877 -2.607 1.00 10.00 O ATOM 724 CB LEU A 46 3.136 -6.430 -1.900 1.00 10.00 C ATOM 725 CG LEU A 46 3.198 -4.969 -1.447 1.00 10.00 C ATOM 726 CD1 LEU A 46 2.591 -4.798 -0.053 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.679 -4.558 -1.395 1.00 10.00 C ATOM 0 H LEU A 46 2.938 -8.775 -2.322 1.00 10.00 H new ATOM 0 HA LEU A 46 1.307 -6.890 -0.902 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.817 -7.007 -1.275 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.517 -6.484 -2.920 1.00 10.00 H new ATOM 0 HG LEU A 46 2.633 -4.351 -2.144 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.649 -3.751 0.243 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.548 -5.114 -0.069 1.00 10.00 H new ATOM 0 HD13 LEU A 46 3.144 -5.408 0.662 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.757 -3.519 -1.075 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.209 -5.197 -0.688 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.122 -4.667 -2.385 1.00 10.00 H new ATOM 739 N ARG A 47 0.938 -7.046 -4.176 1.00 10.00 N ATOM 740 CA ARG A 47 0.100 -6.686 -5.311 1.00 10.00 C ATOM 741 C ARG A 47 -1.319 -7.210 -5.122 1.00 10.00 C ATOM 742 O ARG A 47 -2.288 -6.547 -5.485 1.00 10.00 O ATOM 743 CB ARG A 47 0.708 -7.240 -6.608 1.00 10.00 C ATOM 744 CG ARG A 47 -0.078 -6.779 -7.846 1.00 10.00 C ATOM 745 CD ARG A 47 -1.089 -7.841 -8.308 1.00 10.00 C ATOM 746 NE ARG A 47 -2.016 -7.300 -9.314 1.00 10.00 N ATOM 747 CZ ARG A 47 -3.188 -6.690 -9.064 1.00 10.00 C ATOM 748 NH1 ARG A 47 -3.619 -6.512 -7.810 1.00 10.00 N ATOM 749 NH2 ARG A 47 -3.929 -6.244 -10.085 1.00 10.00 N ATOM 0 H ARG A 47 1.692 -7.685 -4.429 1.00 10.00 H new ATOM 0 HA ARG A 47 0.054 -5.599 -5.378 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.745 -6.914 -6.693 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.719 -8.329 -6.569 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.603 -5.852 -7.618 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.617 -6.561 -8.657 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.556 -8.696 -8.725 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -1.654 -8.205 -7.450 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.744 -7.397 -10.292 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -3.056 -6.841 -7.026 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -4.511 -6.047 -7.638 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -3.604 -6.368 -11.044 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -4.819 -5.780 -9.905 1.00 10.00 H new ATOM 763 N GLU A 48 -1.436 -8.438 -4.628 1.00 10.00 N ATOM 764 CA GLU A 48 -2.681 -9.118 -4.324 1.00 10.00 C ATOM 765 C GLU A 48 -3.514 -8.250 -3.375 1.00 10.00 C ATOM 766 O GLU A 48 -4.678 -7.971 -3.653 1.00 10.00 O ATOM 767 CB GLU A 48 -2.307 -10.481 -3.723 1.00 10.00 C ATOM 768 CG GLU A 48 -3.449 -11.262 -3.068 1.00 10.00 C ATOM 769 CD GLU A 48 -2.899 -12.244 -2.049 1.00 10.00 C ATOM 770 OE1 GLU A 48 -2.605 -11.759 -0.933 1.00 10.00 O ATOM 771 OE2 GLU A 48 -2.773 -13.436 -2.399 1.00 10.00 O ATOM 0 H GLU A 48 -0.619 -9.012 -4.419 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.297 -9.281 -5.208 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.877 -11.098 -4.512 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.526 -10.326 -2.979 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -4.139 -10.572 -2.582 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.016 -11.797 -3.829 1.00 10.00 H new ATOM 778 N GLN A 49 -2.914 -7.812 -2.263 1.00 10.00 N ATOM 779 CA GLN A 49 -3.594 -6.962 -1.296 1.00 10.00 C ATOM 780 C GLN A 49 -3.857 -5.582 -1.909 1.00 10.00 C ATOM 781 O GLN A 49 -4.884 -4.956 -1.654 1.00 10.00 O ATOM 782 CB GLN A 49 -2.734 -6.840 -0.031 1.00 10.00 C ATOM 783 CG GLN A 49 -2.446 -8.187 0.650 1.00 10.00 C ATOM 784 CD GLN A 49 -3.695 -8.909 1.137 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.323 -8.476 2.100 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.035 -10.057 0.562 1.00 10.00 N ATOM 0 H GLN A 49 -1.951 -8.038 -2.015 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.553 -7.406 -1.027 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.788 -6.364 -0.289 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.238 -6.184 0.679 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.915 -8.831 -0.051 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.780 -8.020 1.497 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.504 -10.404 -0.237 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.827 -10.591 0.919 1.00 10.00 H new ATOM 795 N ALA A 50 -2.892 -5.097 -2.693 1.00 10.00 N ATOM 796 CA ALA A 50 -2.940 -3.774 -3.293 1.00 10.00 C ATOM 797 C ALA A 50 -4.199 -3.537 -4.133 1.00 10.00 C ATOM 798 O ALA A 50 -4.755 -4.440 -4.755 1.00 10.00 O ATOM 799 CB ALA A 50 -1.692 -3.492 -4.123 1.00 10.00 C ATOM 0 H ALA A 50 -2.049 -5.622 -2.928 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.976 -3.074 -2.459 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.761 -2.494 -4.557 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.810 -3.550 -3.485 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.611 -4.230 -4.921 1.00 10.00 H new ATOM 805 N GLY A 51 -4.629 -2.278 -4.164 1.00 10.00 N ATOM 806 CA GLY A 51 -5.934 -1.849 -4.610 1.00 10.00 C ATOM 807 C GLY A 51 -6.992 -2.541 -3.780 1.00 10.00 C ATOM 808 O GLY A 51 -7.966 -3.098 -4.277 1.00 10.00 O ATOM 0 H GLY A 51 -4.043 -1.500 -3.863 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.028 -0.767 -4.513 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.068 -2.087 -5.665 1.00 10.00 H new ATOM 812 N GLY A 52 -6.776 -2.414 -2.474 1.00 10.00 N ATOM 813 CA GLY A 52 -7.691 -2.753 -1.430 1.00 10.00 C ATOM 814 C GLY A 52 -7.011 -2.336 -0.136 1.00 10.00 C ATOM 815 O GLY A 52 -5.985 -1.644 -0.129 1.00 10.00 O ATOM 0 H GLY A 52 -5.896 -2.047 -2.111 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.641 -2.234 -1.558 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.909 -3.821 -1.431 1.00 10.00 H new ATOM 819 N ASP A 53 -7.604 -2.786 0.955 1.00 10.00 N ATOM 820 CA ASP A 53 -6.998 -2.706 2.269 1.00 10.00 C ATOM 821 C ASP A 53 -5.789 -3.631 2.346 1.00 10.00 C ATOM 822 O ASP A 53 -5.793 -4.713 1.760 1.00 10.00 O ATOM 823 CB ASP A 53 -7.998 -3.065 3.375 1.00 10.00 C ATOM 824 CG ASP A 53 -7.273 -3.071 4.715 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.692 -2.014 5.038 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.161 -4.141 5.343 1.00 10.00 O ATOM 0 H ASP A 53 -8.527 -3.220 0.953 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.679 -1.675 2.424 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.815 -2.344 3.392 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.439 -4.043 3.181 1.00 10.00 H new ATOM 831 N ALA A 54 -4.775 -3.217 3.103 1.00 10.00 N ATOM 832 CA ALA A 54 -3.784 -4.137 3.627 1.00 10.00 C ATOM 833 C ALA A 54 -3.404 -3.778 5.067 1.00 10.00 C ATOM 834 O ALA A 54 -2.338 -4.188 5.525 1.00 10.00 O ATOM 835 CB ALA A 54 -2.572 -4.157 2.696 1.00 10.00 C ATOM 0 H ALA A 54 -4.623 -2.243 3.365 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.204 -5.142 3.663 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.825 -4.848 3.087 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.882 -4.481 1.702 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.144 -3.156 2.634 1.00 10.00 H new ATOM 841 N THR A 55 -4.245 -3.031 5.793 1.00 10.00 N ATOM 842 CA THR A 55 -3.941 -2.616 7.152 1.00 10.00 C ATOM 843 C THR A 55 -3.771 -3.847 8.038 1.00 10.00 C ATOM 844 O THR A 55 -2.745 -3.993 8.701 1.00 10.00 O ATOM 845 CB THR A 55 -5.040 -1.701 7.726 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.375 -0.655 6.840 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.548 -1.063 9.030 1.00 10.00 C ATOM 0 H THR A 55 -5.148 -2.703 5.450 1.00 10.00 H new ATOM 0 HA THR A 55 -3.012 -2.045 7.132 1.00 10.00 H new ATOM 0 HB THR A 55 -5.920 -2.323 7.891 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.064 -0.964 6.215 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.326 -0.416 9.435 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.314 -1.845 9.752 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.653 -0.473 8.832 1.00 10.00 H new ATOM 855 N GLU A 56 -4.777 -4.729 8.044 1.00 10.00 N ATOM 856 CA GLU A 56 -4.785 -5.910 8.869 1.00 10.00 C ATOM 857 C GLU A 56 -3.583 -6.745 8.480 1.00 10.00 C ATOM 858 O GLU A 56 -2.792 -7.079 9.336 1.00 10.00 O ATOM 859 CB GLU A 56 -6.103 -6.672 8.695 1.00 10.00 C ATOM 860 CG GLU A 56 -7.302 -5.814 9.129 1.00 10.00 C ATOM 861 CD GLU A 56 -8.591 -6.622 9.223 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.632 -7.716 8.618 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.511 -6.132 9.912 1.00 10.00 O ATOM 0 H GLU A 56 -5.611 -4.628 7.465 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.717 -5.653 9.926 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.221 -6.966 7.652 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.077 -7.589 9.284 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.089 -5.360 10.097 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.438 -4.999 8.418 1.00 10.00 H new ATOM 870 N ASN A 57 -3.407 -7.028 7.191 1.00 10.00 N ATOM 871 CA ASN A 57 -2.308 -7.860 6.711 1.00 10.00 C ATOM 872 C ASN A 57 -0.934 -7.300 7.126 1.00 10.00 C ATOM 873 O ASN A 57 -0.053 -8.026 7.587 1.00 10.00 O ATOM 874 CB ASN A 57 -2.447 -8.030 5.192 1.00 10.00 C ATOM 875 CG ASN A 57 -1.888 -9.368 4.723 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.885 -9.853 5.229 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.551 -9.991 3.755 1.00 10.00 N ATOM 0 H ASN A 57 -4.022 -6.687 6.452 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.366 -8.843 7.179 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.498 -7.956 4.912 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.924 -7.219 4.685 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -2.227 -10.897 3.416 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.384 -9.564 3.351 1.00 10.00 H new ATOM 884 N PHE A 58 -0.749 -5.984 6.992 1.00 10.00 N ATOM 885 CA PHE A 58 0.475 -5.302 7.402 1.00 10.00 C ATOM 886 C PHE A 58 0.752 -5.507 8.898 1.00 10.00 C ATOM 887 O PHE A 58 1.850 -5.928 9.267 1.00 10.00 O ATOM 888 CB PHE A 58 0.362 -3.813 7.048 1.00 10.00 C ATOM 889 CG PHE A 58 1.585 -2.977 7.371 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.772 -3.165 6.640 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.509 -1.943 8.324 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.865 -2.303 6.832 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.599 -1.074 8.506 1.00 10.00 C ATOM 894 CZ PHE A 58 3.774 -1.248 7.754 1.00 10.00 C ATOM 0 H PHE A 58 -1.451 -5.360 6.593 1.00 10.00 H new ATOM 0 HA PHE A 58 1.322 -5.730 6.866 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.153 -3.725 5.982 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.494 -3.394 7.577 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.844 -3.975 5.929 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.614 -1.818 8.915 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.775 -2.452 6.270 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.534 -0.271 9.225 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.605 -0.571 7.885 1.00 10.00 H new ATOM 904 N GLU A 59 -0.244 -5.192 9.734 1.00 10.00 N ATOM 905 CA GLU A 59 -0.184 -5.253 11.194 1.00 10.00 C ATOM 906 C GLU A 59 0.084 -6.685 11.662 1.00 10.00 C ATOM 907 O GLU A 59 0.951 -6.953 12.489 1.00 10.00 O ATOM 908 CB GLU A 59 -1.538 -4.765 11.744 1.00 10.00 C ATOM 909 CG GLU A 59 -1.489 -4.403 13.234 1.00 10.00 C ATOM 910 CD GLU A 59 -0.688 -3.133 13.442 1.00 10.00 C ATOM 911 OE1 GLU A 59 -1.175 -2.065 13.004 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.464 -3.223 13.923 1.00 10.00 O ATOM 0 H GLU A 59 -1.152 -4.874 9.394 1.00 10.00 H new ATOM 0 HA GLU A 59 0.627 -4.624 11.560 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.861 -3.893 11.175 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.287 -5.542 11.590 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -2.501 -4.269 13.616 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.041 -5.220 13.799 1.00 10.00 H new ATOM 919 N ASP A 60 -0.706 -7.595 11.106 1.00 10.00 N ATOM 920 CA ASP A 60 -0.673 -9.039 11.252 1.00 10.00 C ATOM 921 C ASP A 60 0.764 -9.532 11.088 1.00 10.00 C ATOM 922 O ASP A 60 1.314 -10.185 11.972 1.00 10.00 O ATOM 923 CB ASP A 60 -1.602 -9.645 10.188 1.00 10.00 C ATOM 924 CG ASP A 60 -1.521 -11.161 10.200 1.00 10.00 C ATOM 925 OD1 ASP A 60 -0.613 -11.665 9.501 1.00 10.00 O ATOM 926 OD2 ASP A 60 -2.347 -11.780 10.900 1.00 10.00 O ATOM 0 H ASP A 60 -1.459 -7.308 10.480 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.017 -9.344 12.240 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.629 -9.330 10.374 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.327 -9.270 9.202 1.00 10.00 H new ATOM 931 N HIS A 61 1.401 -9.139 9.981 1.00 10.00 N ATOM 932 CA HIS A 61 2.795 -9.465 9.705 1.00 10.00 C ATOM 933 C HIS A 61 3.789 -8.613 10.519 1.00 10.00 C ATOM 934 O HIS A 61 4.983 -8.603 10.223 1.00 10.00 O ATOM 935 CB HIS A 61 3.035 -9.320 8.199 1.00 10.00 C ATOM 936 CG HIS A 61 2.343 -10.355 7.345 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.189 -11.060 7.621 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.803 -10.793 6.135 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.966 -11.888 6.585 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.929 -11.769 5.654 1.00 10.00 N ATOM 0 H HIS A 61 0.958 -8.583 9.250 1.00 10.00 H new ATOM 0 HA HIS A 61 2.978 -10.493 10.019 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.703 -8.330 7.886 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.107 -9.371 8.010 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.612 -10.970 8.457 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.694 -10.443 5.635 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.124 -12.560 6.511 1.00 10.00 H new ATOM 948 N GLY A 62 3.335 -7.902 11.555 1.00 10.00 N ATOM 949 CA GLY A 62 4.165 -7.106 12.443 1.00 10.00 C ATOM 950 C GLY A 62 4.686 -5.854 11.746 1.00 10.00 C ATOM 951 O GLY A 62 4.168 -4.760 11.967 1.00 10.00 O ATOM 0 H GLY A 62 2.346 -7.868 11.801 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.589 -6.821 13.323 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.005 -7.706 12.793 1.00 10.00 H new ATOM 955 N HIS A 63 5.720 -6.043 10.921 1.00 10.00 N ATOM 956 CA HIS A 63 6.504 -5.011 10.252 1.00 10.00 C ATOM 957 C HIS A 63 7.247 -4.085 11.224 1.00 10.00 C ATOM 958 O HIS A 63 6.742 -3.716 12.283 1.00 10.00 O ATOM 959 CB HIS A 63 5.650 -4.239 9.244 1.00 10.00 C ATOM 960 CG HIS A 63 5.380 -5.053 8.009 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.299 -5.870 7.774 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.169 -5.062 6.896 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.430 -6.338 6.517 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.550 -5.860 5.933 1.00 10.00 N ATOM 0 H HIS A 63 6.049 -6.981 10.691 1.00 10.00 H new ATOM 0 HA HIS A 63 7.288 -5.525 9.696 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.705 -3.956 9.708 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.158 -3.315 8.968 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.543 -6.081 8.426 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.109 -4.542 6.780 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.731 -7.008 6.039 1.00 10.00 H new ATOM 972 N SER A 64 8.483 -3.719 10.877 1.00 10.00 N ATOM 973 CA SER A 64 9.304 -2.898 11.753 1.00 10.00 C ATOM 974 C SER A 64 8.815 -1.449 11.767 1.00 10.00 C ATOM 975 O SER A 64 8.157 -0.975 10.838 1.00 10.00 O ATOM 976 CB SER A 64 10.789 -2.991 11.368 1.00 10.00 C ATOM 977 OG SER A 64 11.571 -2.519 12.453 1.00 10.00 O ATOM 0 H SER A 64 8.931 -3.980 9.998 1.00 10.00 H new ATOM 0 HA SER A 64 9.205 -3.286 12.767 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.054 -4.021 11.131 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.986 -2.398 10.475 1.00 10.00 H new ATOM 0 HG SER A 64 11.798 -1.577 12.307 1.00 10.00 H new ATOM 983 N THR A 65 9.211 -0.721 12.810 1.00 10.00 N ATOM 984 CA THR A 65 9.099 0.724 12.938 1.00 10.00 C ATOM 985 C THR A 65 9.575 1.431 11.676 1.00 10.00 C ATOM 986 O THR A 65 9.039 2.468 11.316 1.00 10.00 O ATOM 987 CB THR A 65 10.006 1.125 14.115 1.00 10.00 C ATOM 988 OG1 THR A 65 11.115 0.235 14.213 1.00 10.00 O ATOM 989 CG2 THR A 65 9.225 1.023 15.427 1.00 10.00 C ATOM 0 H THR A 65 9.641 -1.150 13.630 1.00 10.00 H new ATOM 0 HA THR A 65 8.059 1.009 13.099 1.00 10.00 H new ATOM 0 HB THR A 65 10.351 2.145 13.942 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.584 0.201 13.353 1.00 10.00 H new ATOM 0 HG21 THR A 65 9.871 1.308 16.258 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.364 1.691 15.391 1.00 10.00 H new ATOM 0 HG23 THR A 65 8.883 -0.002 15.568 1.00 10.00 H new ATOM 997 N ASP A 66 10.589 0.874 11.030 1.00 10.00 N ATOM 998 CA ASP A 66 11.318 1.416 9.903 1.00 10.00 C ATOM 999 C ASP A 66 10.485 1.243 8.634 1.00 10.00 C ATOM 1000 O ASP A 66 10.375 2.158 7.824 1.00 10.00 O ATOM 1001 CB ASP A 66 12.657 0.658 9.819 1.00 10.00 C ATOM 1002 CG ASP A 66 13.339 0.500 11.181 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.711 -0.165 12.048 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.445 1.054 11.341 1.00 10.00 O ATOM 0 H ASP A 66 10.948 -0.040 11.306 1.00 10.00 H new ATOM 0 HA ASP A 66 11.514 2.482 10.019 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.484 -0.328 9.388 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.327 1.188 9.142 1.00 10.00 H new ATOM 1009 N ALA A 67 9.849 0.079 8.481 1.00 10.00 N ATOM 1010 CA ALA A 67 8.861 -0.174 7.450 1.00 10.00 C ATOM 1011 C ALA A 67 7.688 0.786 7.648 1.00 10.00 C ATOM 1012 O ALA A 67 7.183 1.385 6.702 1.00 10.00 O ATOM 1013 CB ALA A 67 8.400 -1.634 7.516 1.00 10.00 C ATOM 0 H ALA A 67 10.016 -0.725 9.087 1.00 10.00 H new ATOM 0 HA ALA A 67 9.293 -0.006 6.463 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.658 -1.817 6.739 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.255 -2.293 7.364 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.959 -1.832 8.493 1.00 10.00 H new ATOM 1019 N ARG A 68 7.265 0.949 8.901 1.00 10.00 N ATOM 1020 CA ARG A 68 6.268 1.926 9.309 1.00 10.00 C ATOM 1021 C ARG A 68 6.660 3.348 8.868 1.00 10.00 C ATOM 1022 O ARG A 68 5.926 3.992 8.118 1.00 10.00 O ATOM 1023 CB ARG A 68 6.015 1.744 10.818 1.00 10.00 C ATOM 1024 CG ARG A 68 4.782 0.854 10.996 1.00 10.00 C ATOM 1025 CD ARG A 68 4.390 0.636 12.460 1.00 10.00 C ATOM 1026 NE ARG A 68 3.329 -0.379 12.585 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.036 -0.243 12.241 1.00 10.00 C ATOM 1028 NH1 ARG A 68 1.578 0.886 11.690 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.199 -1.249 12.453 1.00 10.00 N ATOM 0 H ARG A 68 7.618 0.389 9.677 1.00 10.00 H new ATOM 0 HA ARG A 68 5.316 1.762 8.803 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.883 1.290 11.296 1.00 10.00 H new ATOM 0 HB3 ARG A 68 5.857 2.711 11.296 1.00 10.00 H new ATOM 0 HG2 ARG A 68 3.941 1.302 10.466 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.972 -0.114 10.532 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.265 0.323 13.030 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.049 1.577 12.891 1.00 10.00 H new ATOM 0 HE ARG A 68 3.605 -1.281 12.974 1.00 10.00 H new ATOM 0 HH11 ARG A 68 2.213 1.666 11.523 1.00 10.00 H new ATOM 0 HH12 ARG A 68 0.593 0.967 11.437 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.538 -2.115 12.873 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.216 -1.157 12.196 1.00 10.00 H new ATOM 1043 N GLU A 69 7.834 3.833 9.267 1.00 10.00 N ATOM 1044 CA GLU A 69 8.421 5.066 8.766 1.00 10.00 C ATOM 1045 C GLU A 69 8.329 5.166 7.236 1.00 10.00 C ATOM 1046 O GLU A 69 7.774 6.121 6.679 1.00 10.00 O ATOM 1047 CB GLU A 69 9.867 5.180 9.263 1.00 10.00 C ATOM 1048 CG GLU A 69 9.952 5.696 10.706 1.00 10.00 C ATOM 1049 CD GLU A 69 9.481 7.138 10.866 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.799 7.987 10.002 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.711 7.425 11.811 1.00 10.00 O ATOM 0 H GLU A 69 8.414 3.366 9.964 1.00 10.00 H new ATOM 0 HA GLU A 69 7.850 5.909 9.156 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.348 4.204 9.200 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.422 5.851 8.607 1.00 10.00 H new ATOM 0 HG2 GLU A 69 9.352 5.053 11.349 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.983 5.619 11.051 1.00 10.00 H new ATOM 1058 N LEU A 70 8.834 4.139 6.554 1.00 10.00 N ATOM 1059 CA LEU A 70 8.701 4.009 5.108 1.00 10.00 C ATOM 1060 C LEU A 70 7.257 4.246 4.651 1.00 10.00 C ATOM 1061 O LEU A 70 7.000 4.985 3.702 1.00 10.00 O ATOM 1062 CB LEU A 70 9.207 2.637 4.617 1.00 10.00 C ATOM 1063 CG LEU A 70 10.558 2.658 3.885 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.679 3.825 2.897 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.716 2.679 4.885 1.00 10.00 C ATOM 0 H LEU A 70 9.347 3.374 6.991 1.00 10.00 H new ATOM 0 HA LEU A 70 9.326 4.781 4.659 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.288 1.970 5.475 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.458 2.209 3.950 1.00 10.00 H new ATOM 0 HG LEU A 70 10.610 1.740 3.299 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.653 3.789 2.409 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.894 3.748 2.145 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.576 4.768 3.434 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.663 2.694 4.345 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.641 3.569 5.510 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.670 1.789 5.513 1.00 10.00 H new ATOM 1077 N SER A 71 6.294 3.659 5.359 1.00 10.00 N ATOM 1078 CA SER A 71 4.888 3.836 5.049 1.00 10.00 C ATOM 1079 C SER A 71 4.534 5.322 5.076 1.00 10.00 C ATOM 1080 O SER A 71 3.820 5.784 4.192 1.00 10.00 O ATOM 1081 CB SER A 71 4.008 2.991 5.985 1.00 10.00 C ATOM 1082 OG SER A 71 4.500 1.674 6.138 1.00 10.00 O ATOM 0 H SER A 71 6.471 3.051 6.159 1.00 10.00 H new ATOM 0 HA SER A 71 4.690 3.474 4.040 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.953 3.472 6.962 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.993 2.954 5.591 1.00 10.00 H new ATOM 0 HG SER A 71 5.415 1.705 6.487 1.00 10.00 H new ATOM 1088 N LYS A 72 5.058 6.084 6.043 1.00 10.00 N ATOM 1089 CA LYS A 72 4.796 7.523 6.104 1.00 10.00 C ATOM 1090 C LYS A 72 5.156 8.148 4.769 1.00 10.00 C ATOM 1091 O LYS A 72 4.326 8.780 4.124 1.00 10.00 O ATOM 1092 CB LYS A 72 5.613 8.242 7.187 1.00 10.00 C ATOM 1093 CG LYS A 72 5.468 7.600 8.561 1.00 10.00 C ATOM 1094 CD LYS A 72 6.615 8.024 9.483 1.00 10.00 C ATOM 1095 CE LYS A 72 6.691 9.471 9.965 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.943 9.642 10.739 1.00 10.00 N ATOM 0 H LYS A 72 5.660 5.731 6.787 1.00 10.00 H new ATOM 0 HA LYS A 72 3.739 7.638 6.345 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.665 8.243 6.901 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.297 9.284 7.243 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.514 7.888 9.003 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.458 6.515 8.461 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.578 7.386 10.366 1.00 10.00 H new ATOM 0 HD3 LYS A 72 7.549 7.801 8.967 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.674 10.155 9.116 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.827 9.710 10.585 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.995 10.614 11.104 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.954 8.972 11.534 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 8.760 9.460 10.122 1.00 10.00 H new ATOM 1110 N THR A 73 6.410 7.952 4.364 1.00 10.00 N ATOM 1111 CA THR A 73 6.879 8.570 3.122 1.00 10.00 C ATOM 1112 C THR A 73 6.090 8.054 1.903 1.00 10.00 C ATOM 1113 O THR A 73 5.899 8.784 0.934 1.00 10.00 O ATOM 1114 CB THR A 73 8.414 8.539 2.985 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.832 9.532 2.072 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.997 7.199 2.538 1.00 10.00 C ATOM 0 H THR A 73 7.102 7.389 4.859 1.00 10.00 H new ATOM 0 HA THR A 73 6.655 9.636 3.166 1.00 10.00 H new ATOM 0 HB THR A 73 8.791 8.721 3.991 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.808 9.510 1.989 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.082 7.278 2.471 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.733 6.428 3.262 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.592 6.934 1.562 1.00 10.00 H new ATOM 1124 N PHE A 74 5.575 6.820 1.960 1.00 10.00 N ATOM 1125 CA PHE A 74 4.726 6.269 0.908 1.00 10.00 C ATOM 1126 C PHE A 74 3.300 6.835 0.906 1.00 10.00 C ATOM 1127 O PHE A 74 2.562 6.579 -0.049 1.00 10.00 O ATOM 1128 CB PHE A 74 4.636 4.750 1.045 1.00 10.00 C ATOM 1129 CG PHE A 74 5.925 3.953 1.018 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.075 4.398 0.336 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.907 2.666 1.574 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.216 3.578 0.278 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.004 1.809 1.414 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.190 2.294 0.850 1.00 10.00 C ATOM 0 H PHE A 74 5.737 6.180 2.737 1.00 10.00 H new ATOM 0 HA PHE A 74 5.198 6.557 -0.031 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.127 4.529 1.983 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.998 4.380 0.242 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.080 5.367 -0.141 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.042 2.333 2.129 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.113 3.935 -0.206 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.935 0.777 1.725 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.081 1.684 0.854 1.00 10.00 H new ATOM 1144 N ILE A 75 2.866 7.532 1.966 1.00 10.00 N ATOM 1145 CA ILE A 75 1.531 8.139 1.973 1.00 10.00 C ATOM 1146 C ILE A 75 1.343 9.047 0.758 1.00 10.00 C ATOM 1147 O ILE A 75 2.141 9.953 0.529 1.00 10.00 O ATOM 1148 CB ILE A 75 1.232 8.918 3.272 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.990 7.907 4.394 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.009 9.822 3.150 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.011 8.533 5.792 1.00 10.00 C ATOM 0 H ILE A 75 3.410 7.687 2.815 1.00 10.00 H new ATOM 0 HA ILE A 75 0.818 7.316 1.923 1.00 10.00 H new ATOM 0 HB ILE A 75 2.088 9.561 3.480 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.026 7.423 4.235 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.751 7.128 4.341 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.172 10.345 4.092 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.147 10.549 2.353 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.882 9.212 2.918 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.833 7.760 6.540 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.983 8.993 5.970 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.232 9.292 5.862 1.00 10.00 H new ATOM 1163 N ILE A 76 0.239 8.846 0.035 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.201 9.739 -1.032 1.00 10.00 C ATOM 1165 C ILE A 76 -1.571 10.358 -0.743 1.00 10.00 C ATOM 1166 O ILE A 76 -1.950 11.325 -1.400 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.243 8.983 -2.371 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -1.124 7.723 -2.288 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.171 8.630 -2.847 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.790 7.436 -3.631 1.00 10.00 C ATOM 0 H ILE A 76 -0.380 8.048 0.178 1.00 10.00 H new ATOM 0 HA ILE A 76 0.522 10.553 -1.090 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.695 9.650 -3.106 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.517 6.869 -1.988 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.886 7.857 -1.521 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.113 8.096 -3.796 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.749 9.544 -2.980 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.658 7.998 -2.104 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -2.407 6.541 -3.547 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.415 8.283 -3.916 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -1.024 7.279 -4.391 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.362 9.774 0.164 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.812 9.869 0.026 1.00 10.00 C ATOM 1184 C GLY A 77 -4.540 9.328 1.239 1.00 10.00 C ATOM 1185 O GLY A 77 -3.900 8.970 2.228 1.00 10.00 O ATOM 0 H GLY A 77 -2.034 9.248 0.974 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.093 10.911 -0.129 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.128 9.318 -0.860 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.867 9.226 1.126 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.696 8.450 2.025 1.00 10.00 C ATOM 1191 C GLU A 78 -7.816 7.847 1.202 1.00 10.00 C ATOM 1192 O GLU A 78 -8.138 8.374 0.137 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.371 9.362 3.049 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.435 10.084 4.018 1.00 10.00 C ATOM 1195 CD GLU A 78 -7.115 11.225 4.753 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -8.312 11.091 5.084 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -6.382 12.210 4.999 1.00 10.00 O ATOM 0 H GLU A 78 -6.396 9.693 0.390 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.078 7.705 2.526 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.954 10.110 2.512 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -8.075 8.766 3.630 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.049 9.369 4.744 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.578 10.472 3.467 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.444 6.811 1.752 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.717 6.314 1.263 1.00 10.00 C ATOM 1206 C LEU A 79 -10.719 7.458 1.343 1.00 10.00 C ATOM 1207 O LEU A 79 -10.908 8.024 2.421 1.00 10.00 O ATOM 1208 CB LEU A 79 -10.170 5.137 2.136 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.589 4.655 1.791 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.654 4.013 0.405 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -12.084 3.655 2.832 1.00 10.00 C ATOM 0 H LEU A 79 -8.079 6.294 2.552 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.635 5.964 0.234 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.470 4.310 2.016 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -10.136 5.433 3.184 1.00 10.00 H new ATOM 0 HG LEU A 79 -12.231 5.536 1.791 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.674 3.687 0.202 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.349 4.740 -0.348 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.985 3.153 0.371 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -13.090 3.326 2.571 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.415 2.795 2.857 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -12.101 4.130 3.813 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.354 7.808 0.226 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.352 8.857 0.220 1.00 10.00 C ATOM 1225 C HIS A 80 -13.421 8.664 1.304 1.00 10.00 C ATOM 1226 O HIS A 80 -13.686 7.533 1.709 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.948 8.973 -1.177 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.682 10.257 -1.391 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.028 10.439 -1.609 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.099 11.480 -1.258 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.246 11.767 -1.594 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.104 12.444 -1.373 1.00 10.00 N ATOM 0 H HIS A 80 -11.190 7.376 -0.683 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.866 9.800 0.472 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.150 8.889 -1.915 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.629 8.139 -1.347 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.049 11.671 -1.093 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.211 12.229 -1.740 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -13.994 13.456 -1.304 1.00 10.00 H new