USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 851 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 25 THR OG1 : rot 180:sc= -1.05 USER MOD Set 1.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 17 TYR OH : rot -82:sc= 1.94 USER MOD Set 2.2: A 88 TYR OH : rot 29:sc= 1.87 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -3.27! F(o=-4.4,f=-3.3!) USER MOD Single : A 18 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 37 CYS SG : rot 158:sc= -0.809 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -63:sc= 0.442 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= -1.49 (180deg=-1.61) USER MOD Single : A 47 TYR OH : rot -135:sc= -1.18! USER MOD Single : A 54 TYR OH : rot -118:sc= 1.24 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.147 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= 0.00903 (180deg=-0.321) USER MOD Single : A 71 THR OG1 : rot -23:sc= 0.387! USER MOD Single : A 73 ASN :FLIP amide:sc= -7.56! C(o=-8.5!,f=-7.6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0.275) USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -0.325 (180deg=-1.7!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -158:sc= -2.87 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -6.91! C(o=-6.9!,f=-11!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -0.293 8.562 -7.362 1.00 14.24 N ATOM 84 CA PRO A 8 -0.858 7.343 -7.950 1.00 15.51 C ATOM 85 C PRO A 8 -1.482 6.433 -6.897 1.00 72.52 C ATOM 86 O PRO A 8 -2.685 6.176 -6.920 1.00 41.40 O ATOM 87 CB PRO A 8 0.348 6.661 -8.603 1.00 3.35 C ATOM 88 CG PRO A 8 1.537 7.215 -7.896 1.00 63.20 C ATOM 89 CD PRO A 8 1.172 8.619 -7.504 1.00 34.42 C ATOM 0 HA PRO A 8 -1.663 7.565 -8.651 1.00 15.51 H new ATOM 0 HB2 PRO A 8 0.295 5.578 -8.495 1.00 3.35 H new ATOM 0 HB3 PRO A 8 0.390 6.873 -9.671 1.00 3.35 H new ATOM 0 HG2 PRO A 8 1.782 6.617 -7.019 1.00 63.20 H new ATOM 0 HG3 PRO A 8 2.414 7.207 -8.543 1.00 63.20 H new ATOM 0 HD2 PRO A 8 1.655 8.915 -6.573 1.00 34.42 H new ATOM 0 HD3 PRO A 8 1.475 9.340 -8.263 1.00 34.42 H new ATOM 97 N VAL A 9 -0.656 5.952 -5.970 1.00 44.12 N ATOM 98 CA VAL A 9 -1.127 5.073 -4.902 1.00 62.33 C ATOM 99 C VAL A 9 -2.377 5.652 -4.243 1.00 22.23 C ATOM 100 O VAL A 9 -2.504 6.866 -4.085 1.00 54.03 O ATOM 101 CB VAL A 9 -0.026 4.803 -3.831 1.00 64.01 C ATOM 102 CG1 VAL A 9 1.127 5.787 -3.954 1.00 13.52 C ATOM 103 CG2 VAL A 9 -0.589 4.830 -2.412 1.00 42.03 C ATOM 0 H VAL A 9 0.343 6.156 -5.937 1.00 44.12 H new ATOM 0 HA VAL A 9 -1.376 4.116 -5.361 1.00 62.33 H new ATOM 0 HB VAL A 9 0.353 3.800 -4.025 1.00 64.01 H new ATOM 0 HG11 VAL A 9 1.875 5.568 -3.192 1.00 13.52 H new ATOM 0 HG12 VAL A 9 1.579 5.697 -4.942 1.00 13.52 H new ATOM 0 HG13 VAL A 9 0.755 6.802 -3.817 1.00 13.52 H new ATOM 0 HG21 VAL A 9 0.212 4.637 -1.699 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -1.025 5.809 -2.212 1.00 42.03 H new ATOM 0 HG23 VAL A 9 -1.357 4.063 -2.311 1.00 42.03 H new ATOM 113 N THR A 10 -3.299 4.773 -3.870 1.00 5.01 N ATOM 114 CA THR A 10 -4.542 5.192 -3.240 1.00 75.12 C ATOM 115 C THR A 10 -4.365 5.404 -1.740 1.00 31.32 C ATOM 116 O THR A 10 -4.394 4.451 -0.959 1.00 72.42 O ATOM 117 CB THR A 10 -5.638 4.155 -3.491 1.00 63.14 C ATOM 118 OG1 THR A 10 -5.798 3.923 -4.879 1.00 31.52 O ATOM 119 CG2 THR A 10 -6.985 4.561 -2.935 1.00 13.33 C ATOM 0 H THR A 10 -3.208 3.765 -3.994 1.00 5.01 H new ATOM 0 HA THR A 10 -4.834 6.143 -3.685 1.00 75.12 H new ATOM 0 HB THR A 10 -5.308 3.254 -2.975 1.00 63.14 H new ATOM 0 HG1 THR A 10 -6.502 3.256 -5.020 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.716 3.781 -3.148 1.00 13.33 H new ATOM 0 HG22 THR A 10 -6.906 4.701 -1.857 1.00 13.33 H new ATOM 0 HG23 THR A 10 -7.304 5.494 -3.399 1.00 13.33 H new ATOM 127 N VAL A 11 -4.201 6.660 -1.340 1.00 71.41 N ATOM 128 CA VAL A 11 -4.046 6.993 0.069 1.00 3.10 C ATOM 129 C VAL A 11 -5.387 6.864 0.774 1.00 13.32 C ATOM 130 O VAL A 11 -6.171 7.812 0.820 1.00 52.32 O ATOM 131 CB VAL A 11 -3.506 8.423 0.259 1.00 61.10 C ATOM 132 CG1 VAL A 11 -3.220 8.697 1.727 1.00 2.44 C ATOM 133 CG2 VAL A 11 -2.260 8.640 -0.587 1.00 12.43 C ATOM 0 H VAL A 11 -4.172 7.461 -1.970 1.00 71.41 H new ATOM 0 HA VAL A 11 -3.325 6.298 0.499 1.00 3.10 H new ATOM 0 HB VAL A 11 -4.269 9.127 -0.074 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -2.839 9.712 1.840 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -4.139 8.588 2.303 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -2.477 7.988 2.091 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -1.893 9.656 -0.440 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -1.490 7.929 -0.289 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -2.504 8.491 -1.639 1.00 12.43 H new ATOM 143 N VAL A 12 -5.659 5.676 1.300 1.00 12.21 N ATOM 144 CA VAL A 12 -6.921 5.416 1.974 1.00 51.53 C ATOM 145 C VAL A 12 -6.839 5.695 3.465 1.00 64.22 C ATOM 146 O VAL A 12 -6.064 5.073 4.190 1.00 52.11 O ATOM 147 CB VAL A 12 -7.380 3.962 1.760 1.00 72.12 C ATOM 148 CG1 VAL A 12 -8.785 3.762 2.305 1.00 64.02 C ATOM 149 CG2 VAL A 12 -7.318 3.596 0.285 1.00 65.23 C ATOM 0 H VAL A 12 -5.022 4.880 1.272 1.00 12.21 H new ATOM 0 HA VAL A 12 -7.649 6.095 1.531 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.705 3.302 2.305 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -9.094 2.729 2.145 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -8.796 3.983 3.372 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -9.474 4.430 1.789 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -7.646 2.565 0.152 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -7.970 4.260 -0.282 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -6.294 3.700 -0.073 1.00 65.23 H new ATOM 159 N VAL A 13 -7.672 6.622 3.913 1.00 73.01 N ATOM 160 CA VAL A 13 -7.743 6.990 5.317 1.00 12.41 C ATOM 161 C VAL A 13 -8.028 5.754 6.162 1.00 65.31 C ATOM 162 O VAL A 13 -8.528 4.754 5.650 1.00 22.01 O ATOM 163 CB VAL A 13 -8.868 8.020 5.534 1.00 70.44 C ATOM 164 CG1 VAL A 13 -8.923 8.503 6.968 1.00 61.55 C ATOM 165 CG2 VAL A 13 -8.719 9.191 4.575 1.00 24.13 C ATOM 0 H VAL A 13 -8.316 7.139 3.314 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.789 7.425 5.615 1.00 12.41 H new ATOM 0 HB VAL A 13 -9.813 7.518 5.324 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -9.730 9.228 7.077 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -9.104 7.656 7.630 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -7.975 8.973 7.230 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -9.524 9.906 4.746 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -7.759 9.679 4.743 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -8.767 8.829 3.548 1.00 24.13 H new ATOM 175 N ALA A 14 -7.734 5.821 7.452 1.00 50.31 N ATOM 176 CA ALA A 14 -7.995 4.697 8.343 1.00 20.23 C ATOM 177 C ALA A 14 -9.494 4.439 8.425 1.00 61.22 C ATOM 178 O ALA A 14 -9.937 3.354 8.802 1.00 75.33 O ATOM 179 CB ALA A 14 -7.423 4.970 9.725 1.00 3.45 C ATOM 0 H ALA A 14 -7.318 6.635 7.904 1.00 50.31 H new ATOM 0 HA ALA A 14 -7.507 3.808 7.943 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -7.627 4.121 10.377 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -6.346 5.120 9.650 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -7.886 5.866 10.140 1.00 3.45 H new ATOM 185 N LYS A 15 -10.264 5.455 8.051 1.00 73.33 N ATOM 186 CA LYS A 15 -11.713 5.379 8.052 1.00 2.31 C ATOM 187 C LYS A 15 -12.194 4.562 6.862 1.00 0.43 C ATOM 188 O LYS A 15 -13.109 3.748 6.986 1.00 73.50 O ATOM 189 CB LYS A 15 -12.309 6.795 8.012 1.00 53.11 C ATOM 190 CG LYS A 15 -13.561 6.928 7.157 1.00 42.31 C ATOM 191 CD LYS A 15 -14.386 8.139 7.560 1.00 3.33 C ATOM 192 CE LYS A 15 -14.996 8.826 6.348 1.00 2.15 C ATOM 193 NZ LYS A 15 -15.208 10.281 6.583 1.00 24.30 N ATOM 0 H LYS A 15 -9.897 6.354 7.739 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.046 4.886 8.965 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -12.545 7.105 9.030 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -11.552 7.484 7.636 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -13.279 7.012 6.108 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -14.166 6.026 7.253 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -15.178 7.830 8.242 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -13.757 8.845 8.102 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -14.343 8.689 5.486 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -15.948 8.355 6.105 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -15.625 10.713 5.734 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -15.851 10.412 7.390 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -14.296 10.736 6.790 1.00 24.30 H new ATOM 207 N ASN A 16 -11.571 4.778 5.705 1.00 62.45 N ATOM 208 CA ASN A 16 -11.959 4.036 4.504 1.00 24.10 C ATOM 209 C ASN A 16 -11.039 2.856 4.254 1.00 13.24 C ATOM 210 O ASN A 16 -11.310 2.029 3.389 1.00 70.35 O ATOM 211 CB ASN A 16 -11.990 4.916 3.257 1.00 75.23 C ATOM 212 CG ASN A 16 -11.783 6.377 3.544 1.00 52.33 C ATOM 213 OD1 ASN A 16 -10.598 6.845 3.229 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -12.674 7.070 4.032 1.00 72.22 N flip ATOM 0 H ASN A 16 -10.811 5.446 5.572 1.00 62.45 H new ATOM 0 HA ASN A 16 -12.969 3.674 4.695 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -11.219 4.578 2.565 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -12.948 4.786 2.755 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -13.578 6.654 4.258 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -12.509 8.061 4.211 1.00 72.22 H new ATOM 221 N TYR A 17 -9.950 2.776 5.000 1.00 73.13 N ATOM 222 CA TYR A 17 -9.010 1.695 4.841 1.00 31.51 C ATOM 223 C TYR A 17 -9.682 0.334 5.047 1.00 30.21 C ATOM 224 O TYR A 17 -9.125 -0.702 4.689 1.00 22.14 O ATOM 225 CB TYR A 17 -7.854 1.889 5.809 1.00 10.24 C ATOM 226 CG TYR A 17 -7.446 0.637 6.549 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.558 -0.267 5.989 1.00 41.43 C ATOM 228 CD2 TYR A 17 -7.959 0.363 7.808 1.00 60.52 C ATOM 229 CE1 TYR A 17 -6.190 -1.413 6.664 1.00 53.20 C ATOM 230 CE2 TYR A 17 -7.596 -0.779 8.492 1.00 61.12 C ATOM 231 CZ TYR A 17 -6.711 -1.665 7.916 1.00 1.23 C ATOM 232 OH TYR A 17 -6.345 -2.801 8.597 1.00 64.43 O ATOM 0 H TYR A 17 -9.700 3.452 5.722 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.627 1.708 3.820 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -6.993 2.268 5.258 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -8.128 2.653 6.536 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.148 -0.072 5.009 1.00 41.43 H new ATOM 0 HD2 TYR A 17 -8.654 1.055 8.260 1.00 60.52 H new ATOM 0 HE1 TYR A 17 -5.498 -2.109 6.214 1.00 53.20 H new ATOM 0 HE2 TYR A 17 -8.003 -0.977 9.473 1.00 61.12 H new ATOM 0 HH TYR A 17 -6.883 -3.558 8.283 1.00 64.43 H new ATOM 242 N ASN A 18 -10.891 0.340 5.594 1.00 10.22 N ATOM 243 CA ASN A 18 -11.632 -0.889 5.802 1.00 34.50 C ATOM 244 C ASN A 18 -12.610 -1.061 4.650 1.00 51.55 C ATOM 245 O ASN A 18 -13.351 -2.040 4.570 1.00 73.34 O ATOM 246 CB ASN A 18 -12.375 -0.847 7.140 1.00 33.25 C ATOM 247 CG ASN A 18 -13.508 0.162 7.149 1.00 43.31 C ATOM 248 OD1 ASN A 18 -14.573 -0.078 6.581 1.00 72.43 O ATOM 249 ND2 ASN A 18 -13.282 1.298 7.797 1.00 21.11 N ATOM 0 H ASN A 18 -11.376 1.184 5.900 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.946 -1.736 5.832 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.774 -1.837 7.361 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -11.670 -0.603 7.935 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -14.007 2.015 7.838 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -12.384 1.454 8.254 1.00 21.11 H new ATOM 256 N GLU A 19 -12.605 -0.063 3.775 1.00 74.43 N ATOM 257 CA GLU A 19 -13.467 -0.016 2.628 1.00 71.35 C ATOM 258 C GLU A 19 -12.670 -0.190 1.334 1.00 43.22 C ATOM 259 O GLU A 19 -13.170 -0.744 0.354 1.00 73.12 O ATOM 260 CB GLU A 19 -14.165 1.334 2.644 1.00 22.30 C ATOM 261 CG GLU A 19 -15.662 1.242 2.483 1.00 32.11 C ATOM 262 CD GLU A 19 -16.143 1.742 1.135 1.00 63.10 C ATOM 263 OE1 GLU A 19 -16.127 0.951 0.168 1.00 13.41 O ATOM 264 OE2 GLU A 19 -16.535 2.924 1.045 1.00 3.41 O ATOM 0 H GLU A 19 -11.987 0.744 3.855 1.00 74.43 H new ATOM 0 HA GLU A 19 -14.192 -0.829 2.668 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -13.939 1.839 3.583 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -13.759 1.953 1.844 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -15.973 0.205 2.612 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -16.143 1.820 3.272 1.00 32.11 H new ATOM 271 N ILE A 20 -11.433 0.306 1.335 1.00 42.00 N ATOM 272 CA ILE A 20 -10.569 0.227 0.157 1.00 52.51 C ATOM 273 C ILE A 20 -9.466 -0.817 0.318 1.00 35.23 C ATOM 274 O ILE A 20 -9.233 -1.628 -0.578 1.00 61.03 O ATOM 275 CB ILE A 20 -9.895 1.580 -0.147 1.00 24.15 C ATOM 276 CG1 ILE A 20 -10.781 2.752 0.284 1.00 54.14 C ATOM 277 CG2 ILE A 20 -9.560 1.679 -1.626 1.00 31.52 C ATOM 278 CD1 ILE A 20 -12.146 2.752 -0.364 1.00 65.13 C ATOM 0 H ILE A 20 -11.006 0.767 2.139 1.00 42.00 H new ATOM 0 HA ILE A 20 -11.225 -0.059 -0.665 1.00 52.51 H new ATOM 0 HB ILE A 20 -8.971 1.635 0.428 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -10.903 2.725 1.367 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.274 3.687 0.043 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -9.085 2.639 -1.828 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.880 0.872 -1.900 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -10.475 1.597 -2.213 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -12.716 3.611 -0.011 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -12.035 2.811 -1.447 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -12.673 1.834 -0.103 1.00 65.13 H new ATOM 290 N VAL A 21 -8.781 -0.782 1.456 1.00 13.15 N ATOM 291 CA VAL A 21 -7.693 -1.715 1.725 1.00 74.31 C ATOM 292 C VAL A 21 -8.232 -3.060 2.177 1.00 32.11 C ATOM 293 O VAL A 21 -7.533 -4.071 2.140 1.00 30.43 O ATOM 294 CB VAL A 21 -6.751 -1.155 2.808 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.753 -2.208 3.269 1.00 12.14 C ATOM 296 CG2 VAL A 21 -6.043 0.088 2.294 1.00 4.12 C ATOM 0 H VAL A 21 -8.960 -0.117 2.208 1.00 13.15 H new ATOM 0 HA VAL A 21 -7.136 -1.848 0.797 1.00 74.31 H new ATOM 0 HB VAL A 21 -7.350 -0.876 3.675 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -5.102 -1.783 4.033 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -6.290 -3.061 3.683 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -5.151 -2.535 2.421 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.380 0.475 3.068 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.459 -0.166 1.409 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -6.782 0.847 2.036 1.00 4.12 H new ATOM 306 N LEU A 22 -9.476 -3.054 2.613 1.00 62.02 N ATOM 307 CA LEU A 22 -10.124 -4.256 3.090 1.00 15.22 C ATOM 308 C LEU A 22 -11.088 -4.803 2.045 1.00 41.35 C ATOM 309 O LEU A 22 -12.012 -5.553 2.358 1.00 65.21 O ATOM 310 CB LEU A 22 -10.850 -3.919 4.382 1.00 73.24 C ATOM 311 CG LEU A 22 -11.160 -5.087 5.332 1.00 62.35 C ATOM 312 CD1 LEU A 22 -12.661 -5.255 5.502 1.00 60.20 C ATOM 313 CD2 LEU A 22 -10.531 -6.391 4.854 1.00 13.10 C ATOM 0 H LEU A 22 -10.062 -2.220 2.646 1.00 62.02 H new ATOM 0 HA LEU A 22 -9.382 -5.033 3.276 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -10.251 -3.189 4.927 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.791 -3.432 4.125 1.00 73.24 H new ATOM 0 HG LEU A 22 -10.720 -4.844 6.299 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -12.860 -6.087 6.178 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -13.085 -4.341 5.917 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -13.116 -5.458 4.533 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -10.775 -7.190 5.554 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -10.919 -6.642 3.867 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -9.449 -6.274 4.799 1.00 13.10 H new ATOM 325 N ASP A 23 -10.854 -4.417 0.799 1.00 73.33 N ATOM 326 CA ASP A 23 -11.686 -4.861 -0.313 1.00 10.24 C ATOM 327 C ASP A 23 -11.198 -6.205 -0.847 1.00 65.21 C ATOM 328 O ASP A 23 -10.040 -6.575 -0.652 1.00 42.23 O ATOM 329 CB ASP A 23 -11.677 -3.819 -1.434 1.00 34.23 C ATOM 330 CG ASP A 23 -13.017 -3.711 -2.135 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.791 -4.690 -2.088 1.00 23.33 O ATOM 332 OD2 ASP A 23 -13.292 -2.648 -2.730 1.00 43.53 O ATOM 0 H ASP A 23 -10.092 -3.795 0.531 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.706 -4.980 0.051 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.407 -2.847 -1.021 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.909 -4.080 -2.162 1.00 34.23 H new ATOM 337 N ASP A 24 -12.086 -6.937 -1.514 1.00 43.30 N ATOM 338 CA ASP A 24 -11.738 -8.243 -2.065 1.00 4.41 C ATOM 339 C ASP A 24 -11.816 -8.246 -3.591 1.00 13.13 C ATOM 340 O ASP A 24 -11.993 -9.296 -4.208 1.00 73.32 O ATOM 341 CB ASP A 24 -12.665 -9.317 -1.492 1.00 72.31 C ATOM 342 CG ASP A 24 -14.101 -9.154 -1.953 1.00 44.42 C ATOM 343 OD1 ASP A 24 -14.743 -8.159 -1.554 1.00 4.20 O ATOM 344 OD2 ASP A 24 -14.583 -10.021 -2.712 1.00 54.41 O ATOM 0 H ASP A 24 -13.049 -6.649 -1.686 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.709 -8.462 -1.781 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -12.302 -10.301 -1.788 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -12.630 -9.279 -0.403 1.00 72.31 H new ATOM 349 N THR A 25 -11.682 -7.069 -4.196 1.00 53.34 N ATOM 350 CA THR A 25 -11.738 -6.949 -5.650 1.00 13.33 C ATOM 351 C THR A 25 -10.347 -7.097 -6.263 1.00 21.11 C ATOM 352 O THR A 25 -10.201 -7.572 -7.389 1.00 50.55 O ATOM 353 CB THR A 25 -12.344 -5.602 -6.046 1.00 15.52 C ATOM 354 OG1 THR A 25 -12.284 -5.419 -7.449 1.00 52.32 O ATOM 355 CG2 THR A 25 -11.654 -4.422 -5.397 1.00 12.41 C ATOM 0 H THR A 25 -11.534 -6.188 -3.704 1.00 53.34 H new ATOM 0 HA THR A 25 -12.369 -7.751 -6.033 1.00 13.33 H new ATOM 0 HB THR A 25 -13.376 -5.635 -5.697 1.00 15.52 H new ATOM 0 HG1 THR A 25 -12.678 -4.553 -7.683 1.00 52.32 H new ATOM 0 HG21 THR A 25 -12.133 -3.498 -5.720 1.00 12.41 H new ATOM 0 HG22 THR A 25 -11.727 -4.509 -4.313 1.00 12.41 H new ATOM 0 HG23 THR A 25 -10.604 -4.408 -5.690 1.00 12.41 H new ATOM 363 N LYS A 26 -9.331 -6.686 -5.512 1.00 64.34 N ATOM 364 CA LYS A 26 -7.948 -6.770 -5.971 1.00 52.34 C ATOM 365 C LYS A 26 -6.997 -6.818 -4.781 1.00 41.14 C ATOM 366 O LYS A 26 -7.436 -6.849 -3.631 1.00 70.12 O ATOM 367 CB LYS A 26 -7.612 -5.573 -6.863 1.00 43.41 C ATOM 368 CG LYS A 26 -8.034 -4.236 -6.273 1.00 45.11 C ATOM 369 CD LYS A 26 -8.519 -3.276 -7.348 1.00 24.03 C ATOM 370 CE LYS A 26 -9.722 -3.833 -8.092 1.00 22.42 C ATOM 371 NZ LYS A 26 -10.670 -2.758 -8.498 1.00 4.32 N ATOM 0 H LYS A 26 -9.440 -6.290 -4.578 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.830 -7.685 -6.551 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -6.538 -5.557 -7.046 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -8.098 -5.703 -7.830 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -8.827 -4.395 -5.542 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -7.193 -3.792 -5.740 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -8.782 -2.321 -6.893 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -7.712 -3.081 -8.054 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -9.384 -4.372 -8.977 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -10.239 -4.553 -7.458 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -11.476 -3.179 -9.002 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -11.013 -2.260 -7.652 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -10.184 -2.084 -9.124 1.00 4.32 H new ATOM 385 N ASP A 27 -5.696 -6.814 -5.052 1.00 24.42 N ATOM 386 CA ASP A 27 -4.707 -6.848 -3.986 1.00 22.11 C ATOM 387 C ASP A 27 -4.338 -5.429 -3.571 1.00 12.42 C ATOM 388 O ASP A 27 -3.842 -4.646 -4.379 1.00 4.03 O ATOM 389 CB ASP A 27 -3.466 -7.619 -4.436 1.00 1.12 C ATOM 390 CG ASP A 27 -3.709 -9.113 -4.504 1.00 23.20 C ATOM 391 OD1 ASP A 27 -4.884 -9.519 -4.617 1.00 61.20 O ATOM 392 OD2 ASP A 27 -2.724 -9.878 -4.446 1.00 44.20 O ATOM 0 H ASP A 27 -5.306 -6.788 -5.994 1.00 24.42 H new ATOM 0 HA ASP A 27 -5.134 -7.362 -3.125 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.153 -7.259 -5.416 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.646 -7.418 -3.746 1.00 1.12 H new ATOM 397 N VAL A 28 -4.607 -5.094 -2.315 1.00 13.21 N ATOM 398 CA VAL A 28 -4.323 -3.756 -1.808 1.00 73.13 C ATOM 399 C VAL A 28 -3.155 -3.757 -0.829 1.00 22.42 C ATOM 400 O VAL A 28 -3.192 -4.425 0.203 1.00 22.43 O ATOM 401 CB VAL A 28 -5.558 -3.150 -1.111 1.00 31.52 C ATOM 402 CG1 VAL A 28 -5.383 -1.652 -0.922 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.823 -3.448 -1.903 1.00 74.34 C ATOM 0 H VAL A 28 -5.020 -5.727 -1.630 1.00 13.21 H new ATOM 0 HA VAL A 28 -4.058 -3.148 -2.673 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.656 -3.610 -0.128 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -6.264 -1.242 -0.429 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.503 -1.463 -0.308 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -5.256 -1.175 -1.894 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.682 -3.012 -1.394 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.737 -3.019 -2.901 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.957 -4.527 -1.982 1.00 74.34 H new ATOM 413 N LEU A 29 -2.124 -2.988 -1.159 1.00 22.35 N ATOM 414 CA LEU A 29 -0.941 -2.875 -0.314 1.00 32.45 C ATOM 415 C LEU A 29 -1.010 -1.609 0.516 1.00 41.43 C ATOM 416 O LEU A 29 -0.706 -0.528 0.020 1.00 13.44 O ATOM 417 CB LEU A 29 0.319 -2.839 -1.174 1.00 2.32 C ATOM 418 CG LEU A 29 1.618 -3.184 -0.441 1.00 24.12 C ATOM 419 CD1 LEU A 29 1.614 -4.634 0.014 1.00 50.44 C ATOM 420 CD2 LEU A 29 2.819 -2.907 -1.330 1.00 4.34 C ATOM 0 H LEU A 29 -2.084 -2.430 -2.012 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.907 -3.742 0.346 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.193 -3.534 -2.004 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.417 -1.843 -1.605 1.00 2.32 H new ATOM 0 HG LEU A 29 1.688 -2.551 0.444 1.00 24.12 H new ATOM 0 HD11 LEU A 29 2.547 -4.855 0.532 1.00 50.44 H new ATOM 0 HD12 LEU A 29 0.775 -4.801 0.690 1.00 50.44 H new ATOM 0 HD13 LEU A 29 1.517 -5.287 -0.853 1.00 50.44 H new ATOM 0 HD21 LEU A 29 3.734 -3.158 -0.794 1.00 4.34 H new ATOM 0 HD22 LEU A 29 2.750 -3.513 -2.233 1.00 4.34 H new ATOM 0 HD23 LEU A 29 2.835 -1.851 -1.601 1.00 4.34 H new ATOM 432 N ILE A 30 -1.399 -1.732 1.777 1.00 72.20 N ATOM 433 CA ILE A 30 -1.487 -0.554 2.632 1.00 41.13 C ATOM 434 C ILE A 30 -0.181 -0.321 3.380 1.00 41.14 C ATOM 435 O ILE A 30 0.362 -1.233 3.998 1.00 2.42 O ATOM 436 CB ILE A 30 -2.659 -0.635 3.634 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.225 0.777 3.875 1.00 44.24 C ATOM 438 CG2 ILE A 30 -2.213 -1.294 4.938 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.896 0.970 5.214 1.00 63.54 C ATOM 0 H ILE A 30 -1.654 -2.613 2.224 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.677 0.291 1.970 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.450 -1.258 3.216 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.414 1.499 3.784 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.944 1.004 3.088 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -3.055 -1.340 5.629 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.857 -2.303 4.732 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.409 -0.709 5.385 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.263 1.993 5.293 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.732 0.277 5.305 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.178 0.779 6.012 1.00 63.54 H new ATOM 451 N GLU A 31 0.320 0.906 3.313 1.00 61.25 N ATOM 452 CA GLU A 31 1.567 1.248 3.983 1.00 30.23 C ATOM 453 C GLU A 31 1.387 2.432 4.930 1.00 70.24 C ATOM 454 O GLU A 31 1.536 3.586 4.531 1.00 52.11 O ATOM 455 CB GLU A 31 2.655 1.561 2.952 1.00 53.44 C ATOM 456 CG GLU A 31 3.955 2.065 3.562 1.00 31.40 C ATOM 457 CD GLU A 31 4.079 3.576 3.515 1.00 14.42 C ATOM 458 OE1 GLU A 31 3.307 4.213 2.767 1.00 42.43 O ATOM 459 OE2 GLU A 31 4.949 4.122 4.225 1.00 41.43 O ATOM 0 H GLU A 31 -0.115 1.676 2.805 1.00 61.25 H new ATOM 0 HA GLU A 31 1.872 0.386 4.577 1.00 30.23 H new ATOM 0 HB2 GLU A 31 2.862 0.662 2.372 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.277 2.310 2.256 1.00 53.44 H new ATOM 0 HG2 GLU A 31 4.018 1.732 4.598 1.00 31.40 H new ATOM 0 HG3 GLU A 31 4.797 1.619 3.032 1.00 31.40 H new ATOM 466 N PHE A 32 1.098 2.134 6.195 1.00 61.02 N ATOM 467 CA PHE A 32 0.935 3.171 7.207 1.00 65.22 C ATOM 468 C PHE A 32 2.173 4.047 7.237 1.00 74.45 C ATOM 469 O PHE A 32 3.280 3.549 7.041 1.00 1.24 O ATOM 470 CB PHE A 32 0.740 2.550 8.588 1.00 73.53 C ATOM 471 CG PHE A 32 -0.393 1.564 8.657 1.00 44.52 C ATOM 472 CD1 PHE A 32 -0.190 0.228 8.349 1.00 75.21 C ATOM 473 CD2 PHE A 32 -1.662 1.976 9.031 1.00 34.11 C ATOM 474 CE1 PHE A 32 -1.231 -0.678 8.412 1.00 33.35 C ATOM 475 CE2 PHE A 32 -2.708 1.074 9.096 1.00 23.20 C ATOM 476 CZ PHE A 32 -2.492 -0.255 8.787 1.00 52.32 C ATOM 0 H PHE A 32 0.972 1.183 6.542 1.00 61.02 H new ATOM 0 HA PHE A 32 0.056 3.764 6.954 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.662 2.050 8.885 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.561 3.345 9.312 1.00 73.53 H new ATOM 0 HD1 PHE A 32 0.794 -0.109 8.056 1.00 75.21 H new ATOM 0 HD2 PHE A 32 -1.836 3.014 9.275 1.00 34.11 H new ATOM 0 HE1 PHE A 32 -1.059 -1.716 8.168 1.00 33.35 H new ATOM 0 HE2 PHE A 32 -3.693 1.408 9.388 1.00 23.20 H new ATOM 0 HZ PHE A 32 -3.307 -0.962 8.838 1.00 52.32 H new ATOM 486 N TYR A 33 1.988 5.340 7.477 1.00 41.11 N ATOM 487 CA TYR A 33 3.115 6.262 7.519 1.00 65.10 C ATOM 488 C TYR A 33 2.767 7.557 8.240 1.00 0.14 C ATOM 489 O TYR A 33 1.732 7.670 8.896 1.00 21.44 O ATOM 490 CB TYR A 33 3.577 6.586 6.097 1.00 55.23 C ATOM 491 CG TYR A 33 2.569 7.394 5.307 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.419 6.804 4.800 1.00 40.24 C ATOM 493 CD2 TYR A 33 2.765 8.751 5.078 1.00 44.32 C ATOM 494 CE1 TYR A 33 0.494 7.541 4.085 1.00 61.35 C ATOM 495 CE2 TYR A 33 1.844 9.495 4.366 1.00 24.31 C ATOM 496 CZ TYR A 33 0.711 8.886 3.872 1.00 73.12 C ATOM 497 OH TYR A 33 -0.208 9.624 3.162 1.00 23.25 O ATOM 0 H TYR A 33 1.078 5.770 7.644 1.00 41.11 H new ATOM 0 HA TYR A 33 3.915 5.771 8.073 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.516 7.137 6.145 1.00 55.23 H new ATOM 0 HB3 TYR A 33 3.780 5.655 5.568 1.00 55.23 H new ATOM 0 HD1 TYR A 33 1.244 5.751 4.967 1.00 40.24 H new ATOM 0 HD2 TYR A 33 3.652 9.232 5.463 1.00 44.32 H new ATOM 0 HE1 TYR A 33 -0.394 7.066 3.695 1.00 61.35 H new ATOM 0 HE2 TYR A 33 2.011 10.549 4.197 1.00 24.31 H new ATOM 0 HH TYR A 33 0.095 10.554 3.103 1.00 23.25 H new ATOM 507 N ALA A 34 3.655 8.531 8.092 1.00 72.21 N ATOM 508 CA ALA A 34 3.490 9.839 8.696 1.00 21.32 C ATOM 509 C ALA A 34 4.098 10.904 7.787 1.00 43.41 C ATOM 510 O ALA A 34 4.679 10.581 6.751 1.00 1.30 O ATOM 511 CB ALA A 34 4.140 9.865 10.072 1.00 75.21 C ATOM 0 H ALA A 34 4.512 8.432 7.547 1.00 72.21 H new ATOM 0 HA ALA A 34 2.428 10.051 8.818 1.00 21.32 H new ATOM 0 HB1 ALA A 34 4.011 10.852 10.517 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.672 9.115 10.710 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.204 9.647 9.976 1.00 75.21 H new ATOM 517 N PRO A 35 3.994 12.186 8.157 1.00 54.30 N ATOM 518 CA PRO A 35 4.548 13.277 7.372 1.00 5.43 C ATOM 519 C PRO A 35 5.970 13.592 7.798 1.00 35.33 C ATOM 520 O PRO A 35 6.735 14.228 7.074 1.00 62.40 O ATOM 521 CB PRO A 35 3.617 14.426 7.727 1.00 42.25 C ATOM 522 CG PRO A 35 3.228 14.174 9.148 1.00 35.10 C ATOM 523 CD PRO A 35 3.347 12.684 9.381 1.00 41.21 C ATOM 0 HA PRO A 35 4.605 13.062 6.305 1.00 5.43 H new ATOM 0 HB2 PRO A 35 4.117 15.389 7.618 1.00 42.25 H new ATOM 0 HB3 PRO A 35 2.744 14.444 7.075 1.00 42.25 H new ATOM 0 HG2 PRO A 35 3.877 14.724 9.829 1.00 35.10 H new ATOM 0 HG3 PRO A 35 2.209 14.514 9.335 1.00 35.10 H new ATOM 0 HD2 PRO A 35 3.944 12.464 10.266 1.00 41.21 H new ATOM 0 HD3 PRO A 35 2.371 12.224 9.533 1.00 41.21 H new ATOM 531 N TRP A 36 6.301 13.132 8.993 1.00 31.21 N ATOM 532 CA TRP A 36 7.626 13.343 9.571 1.00 75.21 C ATOM 533 C TRP A 36 8.406 12.038 9.666 1.00 62.33 C ATOM 534 O TRP A 36 9.435 11.962 10.337 1.00 1.45 O ATOM 535 CB TRP A 36 7.487 13.961 10.955 1.00 52.43 C ATOM 536 CG TRP A 36 6.593 13.184 11.877 1.00 41.11 C ATOM 537 CD1 TRP A 36 6.183 11.889 11.732 1.00 21.41 C ATOM 538 CD2 TRP A 36 5.995 13.658 13.090 1.00 13.21 C ATOM 539 NE1 TRP A 36 5.363 11.532 12.774 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.235 12.600 13.623 1.00 14.12 C ATOM 541 CE3 TRP A 36 6.029 14.875 13.777 1.00 31.24 C ATOM 542 CZ2 TRP A 36 4.516 12.723 14.810 1.00 12.14 C ATOM 543 CZ3 TRP A 36 5.316 14.996 14.954 1.00 62.31 C ATOM 544 CH2 TRP A 36 4.568 13.925 15.461 1.00 0.12 C ATOM 0 H TRP A 36 5.665 12.604 9.591 1.00 31.21 H new ATOM 0 HA TRP A 36 8.178 14.018 8.917 1.00 75.21 H new ATOM 0 HB2 TRP A 36 8.475 14.044 11.407 1.00 52.43 H new ATOM 0 HB3 TRP A 36 7.097 14.974 10.853 1.00 52.43 H new ATOM 0 HD1 TRP A 36 6.463 11.240 10.916 1.00 21.41 H new ATOM 0 HE1 TRP A 36 4.921 10.621 12.896 1.00 33.33 H new ATOM 0 HE3 TRP A 36 6.603 15.706 13.394 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 3.938 11.899 15.202 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 5.335 15.932 15.493 1.00 62.31 H new ATOM 0 HH2 TRP A 36 4.022 14.051 16.384 1.00 0.12 H new ATOM 555 N CYS A 37 7.902 11.017 8.995 1.00 12.21 N ATOM 556 CA CYS A 37 8.537 9.705 9.000 1.00 73.34 C ATOM 557 C CYS A 37 9.631 9.620 7.942 1.00 74.40 C ATOM 558 O CYS A 37 9.360 9.716 6.745 1.00 21.03 O ATOM 559 CB CYS A 37 7.494 8.613 8.758 1.00 61.20 C ATOM 560 SG CYS A 37 7.699 7.151 9.801 1.00 11.22 S ATOM 0 H CYS A 37 7.050 11.069 8.436 1.00 12.21 H new ATOM 0 HA CYS A 37 8.994 9.556 9.978 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.501 9.030 8.927 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.538 8.309 7.712 1.00 61.20 H new ATOM 0 HG CYS A 37 6.569 6.513 9.881 1.00 11.22 H new ATOM 566 N GLY A 38 10.867 9.431 8.389 1.00 73.01 N ATOM 567 CA GLY A 38 11.978 9.327 7.462 1.00 54.25 C ATOM 568 C GLY A 38 11.890 8.087 6.592 1.00 23.12 C ATOM 569 O GLY A 38 12.583 7.981 5.580 1.00 65.32 O ATOM 0 H GLY A 38 11.119 9.348 9.374 1.00 73.01 H new ATOM 0 HA2 GLY A 38 12.002 10.212 6.827 1.00 54.25 H new ATOM 0 HA3 GLY A 38 12.914 9.310 8.021 1.00 54.25 H new ATOM 573 N HIS A 39 11.035 7.145 6.987 1.00 2.33 N ATOM 574 CA HIS A 39 10.860 5.908 6.237 1.00 41.12 C ATOM 575 C HIS A 39 10.001 6.137 4.997 1.00 11.52 C ATOM 576 O HIS A 39 10.372 5.738 3.893 1.00 25.14 O ATOM 577 CB HIS A 39 10.225 4.835 7.124 1.00 52.33 C ATOM 578 CG HIS A 39 11.197 3.797 7.594 1.00 24.32 C ATOM 579 ND1 HIS A 39 11.380 2.591 6.950 1.00 54.12 N ATOM 580 CD2 HIS A 39 12.045 3.790 8.650 1.00 21.12 C ATOM 581 CE1 HIS A 39 12.297 1.887 7.590 1.00 22.32 C ATOM 582 NE2 HIS A 39 12.716 2.592 8.624 1.00 30.33 N ATOM 0 H HIS A 39 10.454 7.217 7.822 1.00 2.33 H new ATOM 0 HA HIS A 39 11.844 5.567 5.914 1.00 41.12 H new ATOM 0 HB2 HIS A 39 9.770 5.314 7.991 1.00 52.33 H new ATOM 0 HB3 HIS A 39 9.422 4.346 6.572 1.00 52.33 H new ATOM 0 HD2 HIS A 39 12.170 4.579 9.377 1.00 21.12 H new ATOM 0 HE1 HIS A 39 12.644 0.902 7.314 1.00 22.32 H new ATOM 0 HE2 HIS A 39 13.424 2.295 9.296 1.00 30.33 H new ATOM 591 N CYS A 40 8.852 6.782 5.182 1.00 60.23 N ATOM 592 CA CYS A 40 7.947 7.059 4.071 1.00 12.10 C ATOM 593 C CYS A 40 8.662 7.839 2.975 1.00 73.23 C ATOM 594 O CYS A 40 8.490 7.568 1.787 1.00 34.22 O ATOM 595 CB CYS A 40 6.714 7.828 4.557 1.00 63.34 C ATOM 596 SG CYS A 40 7.036 9.546 5.025 1.00 13.53 S ATOM 0 H CYS A 40 8.527 7.121 6.087 1.00 60.23 H new ATOM 0 HA CYS A 40 7.618 6.106 3.656 1.00 12.10 H new ATOM 0 HB2 CYS A 40 5.960 7.815 3.770 1.00 63.34 H new ATOM 0 HB3 CYS A 40 6.290 7.305 5.414 1.00 63.34 H new ATOM 0 HG CYS A 40 7.862 9.575 6.029 1.00 13.53 H new ATOM 602 N LYS A 41 9.469 8.805 3.390 1.00 21.23 N ATOM 603 CA LYS A 41 10.226 9.634 2.453 1.00 10.33 C ATOM 604 C LYS A 41 10.986 8.777 1.439 1.00 54.14 C ATOM 605 O LYS A 41 11.285 9.227 0.333 1.00 74.52 O ATOM 606 CB LYS A 41 11.204 10.530 3.215 1.00 51.31 C ATOM 607 CG LYS A 41 10.548 11.345 4.318 1.00 32.41 C ATOM 608 CD LYS A 41 11.223 12.697 4.489 1.00 32.30 C ATOM 609 CE LYS A 41 12.192 12.689 5.660 1.00 55.12 C ATOM 610 NZ LYS A 41 12.547 14.068 6.096 1.00 20.54 N ATOM 0 H LYS A 41 9.619 9.037 4.372 1.00 21.23 H new ATOM 0 HA LYS A 41 9.516 10.255 1.907 1.00 10.33 H new ATOM 0 HB2 LYS A 41 11.988 9.911 3.650 1.00 51.31 H new ATOM 0 HB3 LYS A 41 11.687 11.208 2.511 1.00 51.31 H new ATOM 0 HG2 LYS A 41 9.493 11.491 4.086 1.00 32.41 H new ATOM 0 HG3 LYS A 41 10.594 10.793 5.257 1.00 32.41 H new ATOM 0 HD2 LYS A 41 11.757 12.957 3.575 1.00 32.30 H new ATOM 0 HD3 LYS A 41 10.466 13.466 4.646 1.00 32.30 H new ATOM 0 HE2 LYS A 41 11.748 12.147 6.495 1.00 55.12 H new ATOM 0 HE3 LYS A 41 13.098 12.153 5.378 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 13.209 14.019 6.896 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 12.994 14.577 5.307 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 11.686 14.572 6.390 1.00 20.54 H new ATOM 624 N ALA A 42 11.290 7.538 1.821 1.00 53.53 N ATOM 625 CA ALA A 42 12.008 6.615 0.946 1.00 63.24 C ATOM 626 C ALA A 42 11.037 5.734 0.170 1.00 22.20 C ATOM 627 O ALA A 42 11.383 5.162 -0.864 1.00 35.20 O ATOM 628 CB ALA A 42 12.945 5.751 1.767 1.00 71.23 C ATOM 0 H ALA A 42 11.049 7.150 2.733 1.00 53.53 H new ATOM 0 HA ALA A 42 12.587 7.200 0.231 1.00 63.24 H new ATOM 0 HB1 ALA A 42 13.478 5.065 1.109 1.00 71.23 H new ATOM 0 HB2 ALA A 42 13.663 6.385 2.287 1.00 71.23 H new ATOM 0 HB3 ALA A 42 12.369 5.181 2.496 1.00 71.23 H new ATOM 634 N LEU A 43 9.821 5.631 0.688 1.00 3.15 N ATOM 635 CA LEU A 43 8.772 4.826 0.073 1.00 50.12 C ATOM 636 C LEU A 43 7.973 5.649 -0.935 1.00 0.15 C ATOM 637 O LEU A 43 7.327 5.114 -1.830 1.00 25.30 O ATOM 638 CB LEU A 43 7.837 4.292 1.153 1.00 20.44 C ATOM 639 CG LEU A 43 8.324 3.030 1.864 1.00 62.22 C ATOM 640 CD1 LEU A 43 9.311 3.386 2.965 1.00 75.32 C ATOM 641 CD2 LEU A 43 7.148 2.252 2.432 1.00 41.04 C ATOM 0 H LEU A 43 9.533 6.102 1.546 1.00 3.15 H new ATOM 0 HA LEU A 43 9.240 3.995 -0.454 1.00 50.12 H new ATOM 0 HB2 LEU A 43 7.683 5.073 1.897 1.00 20.44 H new ATOM 0 HB3 LEU A 43 6.866 4.085 0.702 1.00 20.44 H new ATOM 0 HG LEU A 43 8.834 2.399 1.136 1.00 62.22 H new ATOM 0 HD11 LEU A 43 9.647 2.475 3.461 1.00 75.32 H new ATOM 0 HD12 LEU A 43 10.168 3.901 2.532 1.00 75.32 H new ATOM 0 HD13 LEU A 43 8.826 4.037 3.692 1.00 75.32 H new ATOM 0 HD21 LEU A 43 7.513 1.356 2.935 1.00 41.04 H new ATOM 0 HD22 LEU A 43 6.610 2.875 3.146 1.00 41.04 H new ATOM 0 HD23 LEU A 43 6.476 1.965 1.623 1.00 41.04 H new ATOM 653 N ALA A 44 8.033 6.956 -0.774 1.00 71.13 N ATOM 654 CA ALA A 44 7.333 7.887 -1.648 1.00 14.25 C ATOM 655 C ALA A 44 7.628 7.642 -3.127 1.00 34.31 C ATOM 656 O ALA A 44 6.730 7.732 -3.965 1.00 74.45 O ATOM 657 CB ALA A 44 7.731 9.301 -1.293 1.00 30.41 C ATOM 0 H ALA A 44 8.569 7.407 -0.033 1.00 71.13 H new ATOM 0 HA ALA A 44 6.265 7.732 -1.496 1.00 14.25 H new ATOM 0 HB1 ALA A 44 7.209 10.001 -1.946 1.00 30.41 H new ATOM 0 HB2 ALA A 44 7.465 9.504 -0.256 1.00 30.41 H new ATOM 0 HB3 ALA A 44 8.807 9.419 -1.421 1.00 30.41 H new ATOM 663 N PRO A 45 8.892 7.346 -3.479 1.00 75.14 N ATOM 664 CA PRO A 45 9.275 7.117 -4.867 1.00 70.44 C ATOM 665 C PRO A 45 8.955 5.714 -5.330 1.00 62.41 C ATOM 666 O PRO A 45 8.664 5.482 -6.503 1.00 14.35 O ATOM 667 CB PRO A 45 10.775 7.349 -4.850 1.00 11.31 C ATOM 668 CG PRO A 45 11.217 6.978 -3.476 1.00 74.31 C ATOM 669 CD PRO A 45 10.043 7.214 -2.561 1.00 42.31 C ATOM 0 HA PRO A 45 8.736 7.766 -5.557 1.00 70.44 H new ATOM 0 HB2 PRO A 45 11.275 6.739 -5.602 1.00 11.31 H new ATOM 0 HB3 PRO A 45 11.014 8.389 -5.072 1.00 11.31 H new ATOM 0 HG2 PRO A 45 11.532 5.935 -3.440 1.00 74.31 H new ATOM 0 HG3 PRO A 45 12.073 7.580 -3.170 1.00 74.31 H new ATOM 0 HD2 PRO A 45 9.906 6.385 -1.866 1.00 42.31 H new ATOM 0 HD3 PRO A 45 10.180 8.114 -1.961 1.00 42.31 H new ATOM 677 N LYS A 46 8.986 4.787 -4.395 1.00 20.24 N ATOM 678 CA LYS A 46 8.669 3.398 -4.708 1.00 25.04 C ATOM 679 C LYS A 46 7.171 3.241 -4.801 1.00 42.02 C ATOM 680 O LYS A 46 6.660 2.431 -5.563 1.00 64.24 O ATOM 681 CB LYS A 46 9.188 2.457 -3.622 1.00 30.13 C ATOM 682 CG LYS A 46 8.344 2.516 -2.358 1.00 4.35 C ATOM 683 CD LYS A 46 8.850 1.611 -1.253 1.00 52.40 C ATOM 684 CE LYS A 46 9.311 0.263 -1.783 1.00 65.44 C ATOM 685 NZ LYS A 46 9.066 -0.833 -0.804 1.00 23.32 N ATOM 0 H LYS A 46 9.225 4.962 -3.419 1.00 20.24 H new ATOM 0 HA LYS A 46 9.146 3.144 -5.654 1.00 25.04 H new ATOM 0 HB2 LYS A 46 9.198 1.436 -4.003 1.00 30.13 H new ATOM 0 HB3 LYS A 46 10.219 2.717 -3.381 1.00 30.13 H new ATOM 0 HG2 LYS A 46 8.320 3.543 -1.994 1.00 4.35 H new ATOM 0 HG3 LYS A 46 7.318 2.240 -2.602 1.00 4.35 H new ATOM 0 HD2 LYS A 46 9.676 2.098 -0.736 1.00 52.40 H new ATOM 0 HD3 LYS A 46 8.059 1.460 -0.518 1.00 52.40 H new ATOM 0 HE2 LYS A 46 8.789 0.041 -2.714 1.00 65.44 H new ATOM 0 HE3 LYS A 46 10.375 0.310 -2.017 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 9.425 -1.730 -1.190 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 9.557 -0.618 0.087 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 8.045 -0.917 -0.626 1.00 23.32 H new ATOM 699 N TYR A 47 6.476 4.019 -3.995 1.00 61.23 N ATOM 700 CA TYR A 47 5.033 3.958 -3.960 1.00 23.14 C ATOM 701 C TYR A 47 4.427 4.739 -5.115 1.00 2.14 C ATOM 702 O TYR A 47 3.354 4.399 -5.606 1.00 1.03 O ATOM 703 CB TYR A 47 4.520 4.465 -2.614 1.00 43.44 C ATOM 704 CG TYR A 47 3.856 3.389 -1.794 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.517 2.202 -1.516 1.00 32.01 C ATOM 706 CD2 TYR A 47 2.567 3.554 -1.311 1.00 74.31 C ATOM 707 CE1 TYR A 47 3.910 1.205 -0.778 1.00 25.32 C ATOM 708 CE2 TYR A 47 1.954 2.565 -0.570 1.00 13.43 C ATOM 709 CZ TYR A 47 2.628 1.392 -0.306 1.00 43.13 C ATOM 710 OH TYR A 47 2.016 0.401 0.427 1.00 24.45 O ATOM 0 H TYR A 47 6.889 4.699 -3.357 1.00 61.23 H new ATOM 0 HA TYR A 47 4.724 2.919 -4.074 1.00 23.14 H new ATOM 0 HB2 TYR A 47 5.352 4.884 -2.048 1.00 43.44 H new ATOM 0 HB3 TYR A 47 3.811 5.275 -2.783 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.522 2.055 -1.882 1.00 32.01 H new ATOM 0 HD2 TYR A 47 2.035 4.471 -1.518 1.00 74.31 H new ATOM 0 HE1 TYR A 47 4.436 0.285 -0.572 1.00 25.32 H new ATOM 0 HE2 TYR A 47 0.950 2.709 -0.198 1.00 13.43 H new ATOM 0 HH TYR A 47 1.096 0.281 0.111 1.00 24.45 H new ATOM 720 N GLU A 48 5.126 5.773 -5.562 1.00 24.14 N ATOM 721 CA GLU A 48 4.645 6.577 -6.675 1.00 22.24 C ATOM 722 C GLU A 48 4.997 5.926 -8.007 1.00 54.31 C ATOM 723 O GLU A 48 4.255 6.043 -8.977 1.00 22.41 O ATOM 724 CB GLU A 48 5.232 7.987 -6.619 1.00 13.13 C ATOM 725 CG GLU A 48 4.711 8.819 -5.458 1.00 10.32 C ATOM 726 CD GLU A 48 5.626 9.979 -5.116 1.00 51.13 C ATOM 727 OE1 GLU A 48 5.972 10.752 -6.033 1.00 72.33 O ATOM 728 OE2 GLU A 48 5.996 10.113 -3.931 1.00 52.11 O ATOM 0 H GLU A 48 6.021 6.073 -5.174 1.00 24.14 H new ATOM 0 HA GLU A 48 3.560 6.643 -6.592 1.00 22.24 H new ATOM 0 HB2 GLU A 48 6.317 7.917 -6.546 1.00 13.13 H new ATOM 0 HB3 GLU A 48 5.008 8.502 -7.553 1.00 13.13 H new ATOM 0 HG2 GLU A 48 3.721 9.202 -5.706 1.00 10.32 H new ATOM 0 HG3 GLU A 48 4.596 8.181 -4.582 1.00 10.32 H new ATOM 735 N GLU A 49 6.133 5.236 -8.045 1.00 54.44 N ATOM 736 CA GLU A 49 6.584 4.570 -9.261 1.00 42.11 C ATOM 737 C GLU A 49 5.998 3.171 -9.361 1.00 51.34 C ATOM 738 O GLU A 49 5.551 2.747 -10.426 1.00 33.31 O ATOM 739 CB GLU A 49 8.112 4.499 -9.292 1.00 61.51 C ATOM 740 CG GLU A 49 8.776 5.831 -9.602 1.00 11.24 C ATOM 741 CD GLU A 49 9.998 5.681 -10.486 1.00 61.31 C ATOM 742 OE1 GLU A 49 9.829 5.379 -11.687 1.00 30.35 O ATOM 743 OE2 GLU A 49 11.124 5.865 -9.979 1.00 22.31 O ATOM 0 H GLU A 49 6.758 5.124 -7.247 1.00 54.44 H new ATOM 0 HA GLU A 49 6.237 5.152 -10.115 1.00 42.11 H new ATOM 0 HB2 GLU A 49 8.470 4.139 -8.328 1.00 61.51 H new ATOM 0 HB3 GLU A 49 8.418 3.767 -10.039 1.00 61.51 H new ATOM 0 HG2 GLU A 49 8.056 6.486 -10.092 1.00 11.24 H new ATOM 0 HG3 GLU A 49 9.064 6.315 -8.669 1.00 11.24 H new ATOM 750 N LEU A 50 5.979 2.466 -8.240 1.00 55.33 N ATOM 751 CA LEU A 50 5.428 1.128 -8.194 1.00 62.33 C ATOM 752 C LEU A 50 3.926 1.225 -8.140 1.00 53.01 C ATOM 753 O LEU A 50 3.203 0.465 -8.784 1.00 72.22 O ATOM 754 CB LEU A 50 5.941 0.411 -6.956 1.00 53.34 C ATOM 755 CG LEU A 50 5.903 -1.117 -7.014 1.00 31.31 C ATOM 756 CD1 LEU A 50 4.469 -1.618 -6.934 1.00 73.44 C ATOM 757 CD2 LEU A 50 6.578 -1.621 -8.282 1.00 32.53 C ATOM 0 H LEU A 50 6.341 2.804 -7.348 1.00 55.33 H new ATOM 0 HA LEU A 50 5.730 0.569 -9.080 1.00 62.33 H new ATOM 0 HB2 LEU A 50 6.969 0.724 -6.776 1.00 53.34 H new ATOM 0 HB3 LEU A 50 5.353 0.739 -6.098 1.00 53.34 H new ATOM 0 HG LEU A 50 6.451 -1.508 -6.157 1.00 31.31 H new ATOM 0 HD11 LEU A 50 4.461 -2.707 -6.977 1.00 73.44 H new ATOM 0 HD12 LEU A 50 4.020 -1.288 -5.997 1.00 73.44 H new ATOM 0 HD13 LEU A 50 3.897 -1.218 -7.771 1.00 73.44 H new ATOM 0 HD21 LEU A 50 6.541 -2.710 -8.306 1.00 32.53 H new ATOM 0 HD22 LEU A 50 6.060 -1.221 -9.154 1.00 32.53 H new ATOM 0 HD23 LEU A 50 7.617 -1.293 -8.296 1.00 32.53 H new ATOM 769 N GLY A 51 3.474 2.190 -7.361 1.00 23.21 N ATOM 770 CA GLY A 51 2.058 2.414 -7.217 1.00 32.42 C ATOM 771 C GLY A 51 1.432 2.897 -8.492 1.00 21.41 C ATOM 772 O GLY A 51 0.369 2.428 -8.892 1.00 20.22 O ATOM 0 H GLY A 51 4.066 2.824 -6.824 1.00 23.21 H new ATOM 0 HA2 GLY A 51 1.575 1.489 -6.904 1.00 32.42 H new ATOM 0 HA3 GLY A 51 1.885 3.146 -6.428 1.00 32.42 H new ATOM 776 N ALA A 52 2.102 3.831 -9.138 1.00 74.32 N ATOM 777 CA ALA A 52 1.620 4.374 -10.391 1.00 34.41 C ATOM 778 C ALA A 52 1.530 3.270 -11.426 1.00 53.51 C ATOM 779 O ALA A 52 0.513 3.102 -12.095 1.00 24.53 O ATOM 780 CB ALA A 52 2.547 5.473 -10.871 1.00 21.31 C ATOM 0 H ALA A 52 2.983 4.230 -8.814 1.00 74.32 H new ATOM 0 HA ALA A 52 0.627 4.798 -10.240 1.00 34.41 H new ATOM 0 HB1 ALA A 52 2.177 5.875 -11.814 1.00 21.31 H new ATOM 0 HB2 ALA A 52 2.584 6.268 -10.127 1.00 21.31 H new ATOM 0 HB3 ALA A 52 3.548 5.067 -11.018 1.00 21.31 H new ATOM 786 N LEU A 53 2.603 2.505 -11.544 1.00 5.04 N ATOM 787 CA LEU A 53 2.640 1.410 -12.498 1.00 63.21 C ATOM 788 C LEU A 53 1.528 0.404 -12.223 1.00 15.14 C ATOM 789 O LEU A 53 0.965 -0.173 -13.153 1.00 42.51 O ATOM 790 CB LEU A 53 4.002 0.718 -12.463 1.00 31.14 C ATOM 791 CG LEU A 53 5.179 1.596 -12.888 1.00 72.33 C ATOM 792 CD1 LEU A 53 6.484 1.045 -12.334 1.00 21.32 C ATOM 793 CD2 LEU A 53 5.244 1.700 -14.405 1.00 32.33 C ATOM 0 H LEU A 53 3.455 2.621 -10.995 1.00 5.04 H new ATOM 0 HA LEU A 53 2.482 1.825 -13.493 1.00 63.21 H new ATOM 0 HB2 LEU A 53 4.184 0.356 -11.451 1.00 31.14 H new ATOM 0 HB3 LEU A 53 3.966 -0.156 -13.113 1.00 31.14 H new ATOM 0 HG LEU A 53 5.029 2.595 -12.480 1.00 72.33 H new ATOM 0 HD11 LEU A 53 7.310 1.683 -12.647 1.00 21.32 H new ATOM 0 HD12 LEU A 53 6.436 1.021 -11.245 1.00 21.32 H new ATOM 0 HD13 LEU A 53 6.642 0.035 -12.712 1.00 21.32 H new ATOM 0 HD21 LEU A 53 6.087 2.329 -14.691 1.00 32.33 H new ATOM 0 HD22 LEU A 53 5.371 0.706 -14.833 1.00 32.33 H new ATOM 0 HD23 LEU A 53 4.320 2.141 -14.779 1.00 32.33 H new ATOM 805 N TYR A 54 1.204 0.196 -10.949 1.00 1.54 N ATOM 806 CA TYR A 54 0.150 -0.747 -10.592 1.00 34.11 C ATOM 807 C TYR A 54 -1.226 -0.097 -10.699 1.00 70.15 C ATOM 808 O TYR A 54 -2.230 -0.782 -10.880 1.00 54.54 O ATOM 809 CB TYR A 54 0.363 -1.295 -9.178 1.00 11.35 C ATOM 810 CG TYR A 54 1.177 -2.571 -9.132 1.00 31.32 C ATOM 811 CD1 TYR A 54 2.055 -2.901 -10.159 1.00 14.11 C ATOM 812 CD2 TYR A 54 1.070 -3.445 -8.057 1.00 13.35 C ATOM 813 CE1 TYR A 54 2.800 -4.063 -10.116 1.00 11.43 C ATOM 814 CE2 TYR A 54 1.812 -4.610 -8.008 1.00 12.41 C ATOM 815 CZ TYR A 54 2.675 -4.914 -9.039 1.00 43.43 C ATOM 816 OH TYR A 54 3.416 -6.073 -8.993 1.00 74.34 O ATOM 0 H TYR A 54 1.649 0.661 -10.158 1.00 1.54 H new ATOM 0 HA TYR A 54 0.197 -1.576 -11.298 1.00 34.11 H new ATOM 0 HB2 TYR A 54 0.861 -0.536 -8.576 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -0.609 -1.478 -8.720 1.00 11.35 H new ATOM 0 HD1 TYR A 54 2.156 -2.237 -11.005 1.00 14.11 H new ATOM 0 HD2 TYR A 54 0.396 -3.210 -7.247 1.00 13.35 H new ATOM 0 HE1 TYR A 54 3.477 -4.304 -10.922 1.00 11.43 H new ATOM 0 HE2 TYR A 54 1.716 -5.279 -7.166 1.00 12.41 H new ATOM 0 HH TYR A 54 2.814 -6.846 -8.983 1.00 74.34 H new ATOM 826 N ALA A 55 -1.269 1.226 -10.575 1.00 21.21 N ATOM 827 CA ALA A 55 -2.529 1.960 -10.651 1.00 3.44 C ATOM 828 C ALA A 55 -2.656 2.764 -11.950 1.00 5.13 C ATOM 829 O ALA A 55 -3.480 3.674 -12.039 1.00 74.31 O ATOM 830 CB ALA A 55 -2.665 2.884 -9.450 1.00 34.11 C ATOM 0 H ALA A 55 -0.448 1.811 -10.422 1.00 21.21 H new ATOM 0 HA ALA A 55 -3.335 1.226 -10.644 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -3.607 3.428 -9.514 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -2.648 2.294 -8.533 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -1.837 3.593 -9.441 1.00 34.11 H new ATOM 836 N LYS A 56 -1.841 2.437 -12.954 1.00 4.24 N ATOM 837 CA LYS A 56 -1.883 3.152 -14.229 1.00 4.42 C ATOM 838 C LYS A 56 -1.498 2.250 -15.402 1.00 44.15 C ATOM 839 O LYS A 56 -2.131 2.292 -16.457 1.00 51.42 O ATOM 840 CB LYS A 56 -0.951 4.366 -14.188 1.00 22.22 C ATOM 841 CG LYS A 56 -1.662 5.688 -14.424 1.00 10.21 C ATOM 842 CD LYS A 56 -0.672 6.821 -14.644 1.00 4.24 C ATOM 843 CE LYS A 56 0.105 7.136 -13.376 1.00 65.32 C ATOM 844 NZ LYS A 56 -0.529 8.233 -12.594 1.00 32.21 N ATOM 0 H LYS A 56 -1.150 1.688 -12.910 1.00 4.24 H new ATOM 0 HA LYS A 56 -2.911 3.482 -14.381 1.00 4.42 H new ATOM 0 HB2 LYS A 56 -0.453 4.399 -13.219 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -0.173 4.242 -14.942 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -2.316 5.601 -15.292 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -2.297 5.919 -13.569 1.00 10.21 H new ATOM 0 HD2 LYS A 56 0.022 6.550 -15.439 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -1.205 7.712 -14.976 1.00 4.24 H new ATOM 0 HE2 LYS A 56 0.170 6.240 -12.758 1.00 65.32 H new ATOM 0 HE3 LYS A 56 1.125 7.418 -13.636 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 0.031 8.417 -11.737 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -0.568 9.095 -13.174 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -1.494 7.954 -12.323 1.00 32.21 H new ATOM 858 N SER A 57 -0.453 1.447 -15.221 1.00 21.53 N ATOM 859 CA SER A 57 0.015 0.552 -16.277 1.00 44.53 C ATOM 860 C SER A 57 -1.075 -0.446 -16.675 1.00 60.45 C ATOM 861 O SER A 57 -2.265 -0.153 -16.559 1.00 54.40 O ATOM 862 CB SER A 57 1.278 -0.184 -15.820 1.00 10.34 C ATOM 863 OG SER A 57 2.038 -0.632 -16.929 1.00 42.20 O ATOM 0 H SER A 57 0.085 1.397 -14.356 1.00 21.53 H new ATOM 0 HA SER A 57 0.255 1.152 -17.155 1.00 44.53 H new ATOM 0 HB2 SER A 57 1.885 0.478 -15.203 1.00 10.34 H new ATOM 0 HB3 SER A 57 1.001 -1.035 -15.197 1.00 10.34 H new ATOM 0 HG SER A 57 2.840 -1.097 -16.610 1.00 42.20 H new ATOM 869 N GLU A 58 -0.668 -1.627 -17.143 1.00 55.23 N ATOM 870 CA GLU A 58 -1.619 -2.657 -17.554 1.00 22.24 C ATOM 871 C GLU A 58 -2.184 -3.410 -16.349 1.00 31.15 C ATOM 872 O GLU A 58 -2.698 -4.521 -16.486 1.00 31.23 O ATOM 873 CB GLU A 58 -0.951 -3.643 -18.514 1.00 12.33 C ATOM 874 CG GLU A 58 -0.053 -2.976 -19.543 1.00 25.21 C ATOM 875 CD GLU A 58 0.146 -3.827 -20.783 1.00 5.30 C ATOM 876 OE1 GLU A 58 -0.862 -4.175 -21.432 1.00 24.30 O ATOM 877 OE2 GLU A 58 1.311 -4.145 -21.104 1.00 25.24 O ATOM 0 H GLU A 58 0.312 -1.892 -17.246 1.00 55.23 H new ATOM 0 HA GLU A 58 -2.445 -2.160 -18.062 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -0.362 -4.356 -17.937 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -1.723 -4.212 -19.032 1.00 12.33 H new ATOM 0 HG2 GLU A 58 -0.485 -2.018 -19.830 1.00 25.21 H new ATOM 0 HG3 GLU A 58 0.917 -2.766 -19.092 1.00 25.21 H new ATOM 884 N PHE A 59 -2.094 -2.798 -15.172 1.00 74.45 N ATOM 885 CA PHE A 59 -2.603 -3.403 -13.948 1.00 21.52 C ATOM 886 C PHE A 59 -3.289 -2.350 -13.081 1.00 53.04 C ATOM 887 O PHE A 59 -3.526 -2.566 -11.893 1.00 13.31 O ATOM 888 CB PHE A 59 -1.468 -4.067 -13.162 1.00 12.03 C ATOM 889 CG PHE A 59 -0.421 -4.707 -14.032 1.00 35.24 C ATOM 890 CD1 PHE A 59 0.474 -3.929 -14.747 1.00 22.34 C ATOM 891 CD2 PHE A 59 -0.333 -6.086 -14.132 1.00 63.25 C ATOM 892 CE1 PHE A 59 1.438 -4.514 -15.547 1.00 44.50 C ATOM 893 CE2 PHE A 59 0.628 -6.677 -14.930 1.00 73.00 C ATOM 894 CZ PHE A 59 1.515 -5.890 -15.639 1.00 33.14 C ATOM 0 H PHE A 59 -1.671 -1.879 -15.041 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.331 -4.166 -14.222 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -0.992 -3.319 -12.527 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -1.890 -4.824 -12.501 1.00 12.03 H new ATOM 0 HD1 PHE A 59 0.418 -2.853 -14.679 1.00 22.34 H new ATOM 0 HD2 PHE A 59 -1.023 -6.706 -13.580 1.00 63.25 H new ATOM 0 HE1 PHE A 59 2.130 -3.896 -16.099 1.00 44.50 H new ATOM 0 HE2 PHE A 59 0.686 -7.753 -14.999 1.00 73.00 H new ATOM 0 HZ PHE A 59 2.267 -6.350 -16.264 1.00 33.14 H new ATOM 904 N LYS A 60 -3.606 -1.208 -13.690 1.00 35.11 N ATOM 905 CA LYS A 60 -4.264 -0.112 -12.991 1.00 12.50 C ATOM 906 C LYS A 60 -5.580 -0.562 -12.361 1.00 53.32 C ATOM 907 O LYS A 60 -6.076 0.066 -11.425 1.00 1.45 O ATOM 908 CB LYS A 60 -4.514 1.038 -13.962 1.00 4.42 C ATOM 909 CG LYS A 60 -5.433 0.659 -15.105 1.00 41.52 C ATOM 910 CD LYS A 60 -6.239 1.850 -15.597 1.00 11.45 C ATOM 911 CE LYS A 60 -6.704 1.656 -17.031 1.00 63.33 C ATOM 912 NZ LYS A 60 -8.149 1.303 -17.104 1.00 32.12 N ATOM 0 H LYS A 60 -3.415 -1.020 -14.674 1.00 35.11 H new ATOM 0 HA LYS A 60 -3.608 0.223 -12.187 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -4.947 1.878 -13.418 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -3.561 1.378 -14.367 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -4.843 0.254 -15.927 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -6.111 -0.130 -14.780 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -7.104 1.997 -14.950 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -5.633 2.753 -15.529 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -6.525 2.570 -17.597 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -6.114 0.869 -17.501 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -8.426 1.179 -18.099 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -8.317 0.417 -16.585 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -8.715 2.065 -16.679 1.00 32.12 H new ATOM 926 N ASP A 61 -6.132 -1.663 -12.864 1.00 63.52 N ATOM 927 CA ASP A 61 -7.378 -2.207 -12.333 1.00 24.02 C ATOM 928 C ASP A 61 -7.073 -3.391 -11.424 1.00 52.43 C ATOM 929 O ASP A 61 -7.927 -3.860 -10.672 1.00 2.45 O ATOM 930 CB ASP A 61 -8.302 -2.641 -13.473 1.00 61.12 C ATOM 931 CG ASP A 61 -9.759 -2.336 -13.183 1.00 13.52 C ATOM 932 OD1 ASP A 61 -10.103 -2.156 -11.996 1.00 23.44 O ATOM 933 OD2 ASP A 61 -10.556 -2.277 -14.143 1.00 30.32 O ATOM 0 H ASP A 61 -5.736 -2.196 -13.638 1.00 63.52 H new ATOM 0 HA ASP A 61 -7.884 -1.433 -11.757 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -8.004 -2.136 -14.392 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -8.185 -3.711 -13.645 1.00 61.12 H new ATOM 938 N ARG A 62 -5.833 -3.855 -11.507 1.00 74.15 N ATOM 939 CA ARG A 62 -5.354 -4.970 -10.716 1.00 30.21 C ATOM 940 C ARG A 62 -4.956 -4.491 -9.315 1.00 43.41 C ATOM 941 O ARG A 62 -5.680 -3.708 -8.702 1.00 13.43 O ATOM 942 CB ARG A 62 -4.177 -5.622 -11.443 1.00 63.22 C ATOM 943 CG ARG A 62 -4.063 -7.112 -11.194 1.00 63.51 C ATOM 944 CD ARG A 62 -2.903 -7.721 -11.964 1.00 55.34 C ATOM 945 NE ARG A 62 -3.251 -7.982 -13.359 1.00 33.12 N ATOM 946 CZ ARG A 62 -4.146 -8.890 -13.744 1.00 32.42 C ATOM 947 NH1 ARG A 62 -4.783 -9.626 -12.842 1.00 51.31 N ATOM 948 NH2 ARG A 62 -4.403 -9.062 -15.033 1.00 30.32 N ATOM 0 H ARG A 62 -5.129 -3.462 -12.132 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.144 -5.711 -10.594 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.280 -5.448 -12.514 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.253 -5.137 -11.129 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -3.928 -7.294 -10.128 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -4.992 -7.602 -11.486 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -2.047 -7.047 -11.923 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -2.599 -8.652 -11.486 1.00 55.34 H new ATOM 0 HE ARG A 62 -2.780 -7.436 -14.081 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -4.588 -9.497 -11.849 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -5.468 -10.320 -13.142 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -3.915 -8.499 -15.730 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -5.088 -9.757 -15.328 1.00 30.32 H new ATOM 962 N VAL A 63 -3.812 -4.956 -8.806 1.00 5.03 N ATOM 963 CA VAL A 63 -3.347 -4.558 -7.479 1.00 24.54 C ATOM 964 C VAL A 63 -3.467 -3.055 -7.298 1.00 43.11 C ATOM 965 O VAL A 63 -3.407 -2.296 -8.265 1.00 13.12 O ATOM 966 CB VAL A 63 -1.871 -4.935 -7.245 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.536 -4.927 -5.762 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.532 -6.276 -7.871 1.00 23.12 C ATOM 0 H VAL A 63 -3.194 -5.606 -9.292 1.00 5.03 H new ATOM 0 HA VAL A 63 -3.976 -5.089 -6.764 1.00 24.54 H new ATOM 0 HB VAL A 63 -1.258 -4.179 -7.736 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.489 -5.196 -5.624 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.711 -3.931 -5.355 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -2.167 -5.648 -5.242 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.483 -6.509 -7.686 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -2.159 -7.052 -7.432 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -1.710 -6.231 -8.945 1.00 23.12 H new ATOM 978 N VAL A 64 -3.628 -2.627 -6.057 1.00 64.12 N ATOM 979 CA VAL A 64 -3.745 -1.213 -5.763 1.00 33.20 C ATOM 980 C VAL A 64 -2.888 -0.834 -4.563 1.00 54.35 C ATOM 981 O VAL A 64 -3.214 -1.166 -3.423 1.00 2.41 O ATOM 982 CB VAL A 64 -5.210 -0.811 -5.499 1.00 61.33 C ATOM 983 CG1 VAL A 64 -5.299 0.626 -5.005 1.00 71.13 C ATOM 984 CG2 VAL A 64 -6.040 -1.000 -6.758 1.00 23.14 C ATOM 0 H VAL A 64 -3.680 -3.237 -5.241 1.00 64.12 H new ATOM 0 HA VAL A 64 -3.390 -0.672 -6.640 1.00 33.20 H new ATOM 0 HB VAL A 64 -5.610 -1.458 -4.718 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -6.342 0.885 -4.826 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -4.736 0.727 -4.077 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -4.883 1.296 -5.757 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -7.073 -0.713 -6.560 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -5.637 -0.377 -7.556 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -6.006 -2.046 -7.062 1.00 23.14 H new ATOM 994 N ILE A 65 -1.798 -0.125 -4.826 1.00 53.13 N ATOM 995 CA ILE A 65 -0.905 0.310 -3.767 1.00 64.23 C ATOM 996 C ILE A 65 -1.597 1.359 -2.910 1.00 64.25 C ATOM 997 O ILE A 65 -1.773 2.500 -3.332 1.00 74.41 O ATOM 998 CB ILE A 65 0.409 0.880 -4.342 1.00 34.00 C ATOM 999 CG1 ILE A 65 1.106 -0.172 -5.210 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.332 1.346 -3.226 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.222 -1.530 -4.548 1.00 24.43 C ATOM 0 H ILE A 65 -1.514 0.159 -5.763 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.656 -0.556 -3.153 1.00 64.23 H new ATOM 0 HB ILE A 65 0.167 1.743 -4.963 1.00 34.00 H new ATOM 0 HG12 ILE A 65 0.557 -0.280 -6.145 1.00 43.52 H new ATOM 0 HG13 ILE A 65 2.104 0.184 -5.465 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.251 1.744 -3.656 1.00 13.14 H new ATOM 0 HG22 ILE A 65 0.837 2.124 -2.645 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.570 0.504 -2.576 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.726 -2.222 -5.223 1.00 24.43 H new ATOM 0 HD12 ILE A 65 1.797 -1.438 -3.627 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.226 -1.909 -4.318 1.00 24.43 H new ATOM 1013 N ALA A 66 -2.014 0.954 -1.716 1.00 64.35 N ATOM 1014 CA ALA A 66 -2.718 1.856 -0.807 1.00 14.51 C ATOM 1015 C ALA A 66 -1.829 2.330 0.340 1.00 73.12 C ATOM 1016 O ALA A 66 -0.774 1.757 0.610 1.00 3.24 O ATOM 1017 CB ALA A 66 -3.964 1.175 -0.264 1.00 0.23 C ATOM 0 H ALA A 66 -1.878 0.010 -1.354 1.00 64.35 H new ATOM 0 HA ALA A 66 -3.004 2.740 -1.377 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.484 1.853 0.413 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.624 0.911 -1.090 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.679 0.272 0.276 1.00 0.23 H new ATOM 1023 N LYS A 67 -2.271 3.382 1.021 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.520 3.931 2.141 1.00 52.23 C ATOM 1025 C LYS A 67 -2.410 4.795 3.023 1.00 31.31 C ATOM 1026 O LYS A 67 -3.386 5.383 2.556 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.321 4.743 1.641 1.00 44.25 C ATOM 1028 CG LYS A 67 -0.699 6.038 0.938 1.00 70.43 C ATOM 1029 CD LYS A 67 0.395 7.087 1.075 1.00 21.32 C ATOM 1030 CE LYS A 67 0.859 7.596 -0.281 1.00 75.00 C ATOM 1031 NZ LYS A 67 2.189 7.043 -0.656 1.00 23.24 N ATOM 0 H LYS A 67 -3.143 3.870 0.817 1.00 1.20 H new ATOM 0 HA LYS A 67 -1.152 3.097 2.738 1.00 52.23 H new ATOM 0 HB2 LYS A 67 0.325 4.977 2.488 1.00 44.25 H new ATOM 0 HB3 LYS A 67 0.262 4.127 0.956 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -0.884 5.839 -0.118 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -1.628 6.423 1.358 1.00 70.43 H new ATOM 0 HD2 LYS A 67 0.026 7.922 1.670 1.00 21.32 H new ATOM 0 HD3 LYS A 67 1.242 6.661 1.613 1.00 21.32 H new ATOM 0 HE2 LYS A 67 0.126 7.325 -1.041 1.00 75.00 H new ATOM 0 HE3 LYS A 67 0.911 8.685 -0.262 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 2.300 7.077 -1.689 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 2.939 7.608 -0.208 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 2.259 6.057 -0.333 1.00 23.24 H new ATOM 1045 N VAL A 68 -2.066 4.861 4.301 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.828 5.646 5.257 1.00 72.45 C ATOM 1047 C VAL A 68 -1.901 6.399 6.203 1.00 32.14 C ATOM 1048 O VAL A 68 -0.747 6.014 6.394 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.771 4.750 6.081 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -2.971 3.724 6.870 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.639 5.590 7.008 1.00 51.14 C ATOM 0 H VAL A 68 -1.261 4.378 4.699 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.422 6.362 4.689 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.429 4.218 5.395 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.651 3.098 7.447 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.400 3.101 6.182 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.288 4.237 7.547 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.298 4.937 7.581 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -4.003 6.153 7.691 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.239 6.282 6.417 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.415 7.466 6.797 1.00 50.51 N ATOM 1062 CA ASP A 69 -1.634 8.266 7.731 1.00 43.22 C ATOM 1063 C ASP A 69 -1.857 7.780 9.158 1.00 5.23 C ATOM 1064 O ASP A 69 -2.844 8.134 9.802 1.00 5.32 O ATOM 1065 CB ASP A 69 -2.003 9.744 7.611 1.00 32.22 C ATOM 1066 CG ASP A 69 -0.786 10.647 7.641 1.00 4.11 C ATOM 1067 OD1 ASP A 69 0.044 10.495 8.562 1.00 53.31 O ATOM 1068 OD2 ASP A 69 -0.662 11.506 6.742 1.00 42.00 O ATOM 0 H ASP A 69 -3.368 7.798 6.650 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.579 8.153 7.483 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.549 9.905 6.681 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -2.674 10.016 8.426 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.939 6.949 9.635 1.00 52.42 N ATOM 1074 CA ALA A 70 -1.028 6.382 10.977 1.00 24.21 C ATOM 1075 C ALA A 70 -1.015 7.456 12.062 1.00 22.35 C ATOM 1076 O ALA A 70 -1.330 7.182 13.220 1.00 53.45 O ATOM 1077 CB ALA A 70 0.113 5.403 11.196 1.00 61.12 C ATOM 0 H ALA A 70 -0.118 6.650 9.109 1.00 52.42 H new ATOM 0 HA ALA A 70 -1.983 5.861 11.052 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.043 4.982 12.199 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.051 4.601 10.460 1.00 61.12 H new ATOM 0 HB3 ALA A 70 1.065 5.923 11.086 1.00 61.12 H new ATOM 1083 N THR A 71 -0.640 8.670 11.688 1.00 42.24 N ATOM 1084 CA THR A 71 -0.575 9.775 12.637 1.00 3.43 C ATOM 1085 C THR A 71 -1.649 10.822 12.359 1.00 33.43 C ATOM 1086 O THR A 71 -1.878 11.720 13.169 1.00 51.01 O ATOM 1087 CB THR A 71 0.801 10.424 12.572 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.851 11.586 13.381 1.00 70.43 O ATOM 1089 CG2 THR A 71 1.202 10.817 11.169 1.00 30.12 C ATOM 0 H THR A 71 -0.376 8.917 10.734 1.00 42.24 H new ATOM 0 HA THR A 71 -0.751 9.371 13.634 1.00 3.43 H new ATOM 0 HB THR A 71 1.498 9.668 12.936 1.00 25.35 H new ATOM 0 HG1 THR A 71 -0.057 11.930 13.516 1.00 70.43 H new ATOM 0 HG21 THR A 71 2.191 11.274 11.188 1.00 30.12 H new ATOM 0 HG22 THR A 71 1.224 9.931 10.535 1.00 30.12 H new ATOM 0 HG23 THR A 71 0.480 11.530 10.771 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.305 10.702 11.213 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.352 11.636 10.832 1.00 75.21 C ATOM 1099 C ALA A 72 -4.717 10.961 10.866 1.00 45.34 C ATOM 1100 O ALA A 72 -5.752 11.626 10.840 1.00 45.33 O ATOM 1101 CB ALA A 72 -3.073 12.196 9.447 1.00 51.24 C ATOM 0 H ALA A 72 -2.129 9.965 10.530 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.361 12.457 11.549 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -3.863 12.894 9.171 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -2.115 12.715 9.451 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -3.041 11.381 8.724 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.707 9.635 10.915 1.00 1.30 N ATOM 1108 CA ASN A 73 -5.937 8.862 10.942 1.00 2.25 C ATOM 1109 C ASN A 73 -5.862 7.756 11.990 1.00 71.03 C ATOM 1110 O ASN A 73 -4.908 6.979 12.020 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.198 8.261 9.563 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.980 9.263 8.445 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -4.791 9.240 7.857 1.00 72.24 O flip ATOM 1114 ND2 ASN A 73 -6.869 10.048 8.117 1.00 11.11 N flip ATOM 0 H ASN A 73 -3.856 9.073 10.937 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.759 9.527 11.208 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -5.541 7.404 9.413 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.222 7.889 9.520 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -7.768 10.030 8.598 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -6.706 10.717 7.364 1.00 11.11 H new ATOM 1121 N ASP A 74 -6.874 7.692 12.849 1.00 10.14 N ATOM 1122 CA ASP A 74 -6.922 6.682 13.900 1.00 32.42 C ATOM 1123 C ASP A 74 -7.300 5.319 13.327 1.00 31.33 C ATOM 1124 O ASP A 74 -8.460 5.074 12.996 1.00 44.21 O ATOM 1125 CB ASP A 74 -7.924 7.089 14.982 1.00 3.14 C ATOM 1126 CG ASP A 74 -7.507 8.351 15.710 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -6.515 8.300 16.468 1.00 34.45 O ATOM 1128 OD2 ASP A 74 -8.171 9.392 15.522 1.00 5.34 O ATOM 0 H ASP A 74 -7.672 8.327 12.838 1.00 10.14 H new ATOM 0 HA ASP A 74 -5.929 6.607 14.344 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -8.903 7.241 14.528 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -8.029 6.276 15.701 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.313 4.435 13.215 1.00 53.50 N ATOM 1134 CA VAL A 75 -6.545 3.098 12.683 1.00 63.22 C ATOM 1135 C VAL A 75 -6.978 2.134 13.787 1.00 35.25 C ATOM 1136 O VAL A 75 -6.575 2.279 14.941 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.286 2.542 11.986 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -4.820 3.489 10.890 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.172 2.297 12.994 1.00 12.01 C ATOM 0 H VAL A 75 -5.347 4.621 13.485 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.345 3.183 11.948 1.00 63.22 H new ATOM 0 HB VAL A 75 -5.544 1.587 11.528 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -3.931 3.080 10.410 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -5.611 3.606 10.150 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -4.583 4.460 11.325 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.295 1.905 12.479 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -3.915 3.235 13.487 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.508 1.576 13.739 1.00 12.01 H new ATOM 1149 N PRO A 76 -7.808 1.135 13.445 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.295 0.147 14.411 1.00 75.42 C ATOM 1151 C PRO A 76 -7.226 -0.873 14.791 1.00 43.21 C ATOM 1152 O PRO A 76 -7.300 -1.499 15.848 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.443 -0.533 13.667 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.080 -0.413 12.227 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.339 0.890 12.089 1.00 24.22 C ATOM 0 HA PRO A 76 -8.591 0.608 15.353 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -9.545 -1.577 13.965 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.395 -0.047 13.878 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -8.458 -1.250 11.911 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -9.971 -0.423 11.599 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -7.539 0.820 11.352 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.000 1.694 11.766 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.235 -1.039 13.921 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.154 -1.986 14.165 1.00 21.44 C ATOM 1165 C ASP A 77 -4.009 -1.327 14.929 1.00 3.52 C ATOM 1166 O ASP A 77 -3.543 -0.250 14.560 1.00 0.40 O ATOM 1167 CB ASP A 77 -4.640 -2.555 12.841 1.00 64.14 C ATOM 1168 CG ASP A 77 -5.084 -3.987 12.616 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -6.231 -4.318 12.982 1.00 31.34 O ATOM 1170 OD2 ASP A 77 -4.284 -4.778 12.073 1.00 20.50 O ATOM 0 H ASP A 77 -6.159 -0.530 13.041 1.00 62.52 H new ATOM 0 HA ASP A 77 -5.549 -2.799 14.775 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -4.996 -1.934 12.019 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -3.551 -2.509 12.827 1.00 64.14 H new ATOM 1253 N PRO A 83 6.790 2.994 10.333 1.00 3.04 N ATOM 1254 CA PRO A 83 5.470 2.738 9.760 1.00 54.24 C ATOM 1255 C PRO A 83 5.157 1.252 9.659 1.00 11.33 C ATOM 1256 O PRO A 83 5.807 0.422 10.296 1.00 42.02 O ATOM 1257 CB PRO A 83 5.555 3.353 8.359 1.00 3.23 C ATOM 1258 CG PRO A 83 6.937 3.924 8.236 1.00 1.32 C ATOM 1259 CD PRO A 83 7.772 3.239 9.281 1.00 54.44 C ATOM 0 HA PRO A 83 4.678 3.159 10.379 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.375 2.600 7.592 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.800 4.128 8.228 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.342 3.750 7.239 1.00 1.32 H new ATOM 0 HG3 PRO A 83 6.927 5.003 8.392 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.214 2.314 8.910 1.00 54.44 H new ATOM 0 HD3 PRO A 83 8.593 3.868 9.626 1.00 54.44 H new ATOM 1267 N THR A 84 4.156 0.925 8.850 1.00 2.41 N ATOM 1268 CA THR A 84 3.754 -0.467 8.660 1.00 41.24 C ATOM 1269 C THR A 84 3.264 -0.705 7.233 1.00 32.43 C ATOM 1270 O THR A 84 2.800 0.215 6.569 1.00 60.21 O ATOM 1271 CB THR A 84 2.661 -0.845 9.669 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.201 -0.938 10.975 1.00 22.31 O ATOM 1273 CG2 THR A 84 1.973 -2.164 9.366 1.00 53.53 C ATOM 0 H THR A 84 3.609 1.600 8.316 1.00 2.41 H new ATOM 0 HA THR A 84 4.625 -1.100 8.829 1.00 41.24 H new ATOM 0 HB THR A 84 1.920 -0.049 9.594 1.00 10.10 H new ATOM 0 HG1 THR A 84 2.491 -1.178 11.606 1.00 22.31 H new ATOM 0 HG21 THR A 84 1.214 -2.361 10.123 1.00 53.53 H new ATOM 0 HG22 THR A 84 1.501 -2.111 8.385 1.00 53.53 H new ATOM 0 HG23 THR A 84 2.709 -2.968 9.372 1.00 53.53 H new ATOM 1281 N ILE A 85 3.372 -1.945 6.765 1.00 60.42 N ATOM 1282 CA ILE A 85 2.932 -2.286 5.418 1.00 22.33 C ATOM 1283 C ILE A 85 2.127 -3.580 5.400 1.00 73.34 C ATOM 1284 O ILE A 85 2.672 -4.675 5.335 1.00 71.15 O ATOM 1285 CB ILE A 85 4.107 -2.411 4.438 1.00 41.20 C ATOM 1286 CG1 ILE A 85 5.045 -1.204 4.589 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.571 -2.533 3.016 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.670 -0.733 3.294 1.00 54.43 C ATOM 0 H ILE A 85 3.758 -2.726 7.296 1.00 60.42 H new ATOM 0 HA ILE A 85 2.295 -1.463 5.094 1.00 22.33 H new ATOM 0 HB ILE A 85 4.684 -3.308 4.661 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.487 -0.378 5.030 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.840 -1.462 5.289 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.405 -2.622 2.319 1.00 44.35 H new ATOM 0 HG22 ILE A 85 2.939 -3.418 2.940 1.00 44.35 H new ATOM 0 HG23 ILE A 85 2.986 -1.647 2.770 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.317 0.122 3.492 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.259 -1.541 2.859 1.00 54.43 H new ATOM 0 HD13 ILE A 85 4.885 -0.440 2.597 1.00 54.43 H new ATOM 1300 N LYS A 86 0.819 -3.426 5.441 1.00 3.11 N ATOM 1301 CA LYS A 86 -0.103 -4.556 5.421 1.00 60.53 C ATOM 1302 C LYS A 86 -0.638 -4.788 4.012 1.00 52.11 C ATOM 1303 O LYS A 86 -1.122 -3.862 3.363 1.00 22.13 O ATOM 1304 CB LYS A 86 -1.266 -4.312 6.384 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.995 -4.786 7.802 1.00 12.03 C ATOM 1306 CD LYS A 86 -2.215 -4.608 8.692 1.00 13.41 C ATOM 1307 CE LYS A 86 -2.416 -5.804 9.609 1.00 71.15 C ATOM 1308 NZ LYS A 86 -1.881 -5.552 10.975 1.00 24.02 N ATOM 0 H LYS A 86 0.360 -2.516 5.489 1.00 3.11 H new ATOM 0 HA LYS A 86 0.441 -5.445 5.740 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.492 -3.246 6.404 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -2.153 -4.819 6.004 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -0.705 -5.837 7.786 1.00 12.03 H new ATOM 0 HG3 LYS A 86 -0.155 -4.230 8.218 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -2.101 -3.704 9.291 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -3.101 -4.470 8.073 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -3.479 -6.038 9.673 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -1.923 -6.677 9.181 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -1.457 -6.425 11.348 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -1.157 -4.806 10.932 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -2.655 -5.248 11.600 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.538 -6.024 3.542 1.00 25.44 N ATOM 1323 CA LEU A 87 -1.002 -6.372 2.201 1.00 13.34 C ATOM 1324 C LEU A 87 -2.310 -7.154 2.247 1.00 25.24 C ATOM 1325 O LEU A 87 -2.323 -8.334 2.594 1.00 31.53 O ATOM 1326 CB LEU A 87 0.069 -7.205 1.499 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.216 -7.605 0.037 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.162 -8.789 -0.013 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.789 -6.434 -0.751 1.00 30.13 C ATOM 0 H LEU A 87 -0.141 -6.803 4.067 1.00 25.44 H new ATOM 0 HA LEU A 87 -1.183 -5.449 1.651 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.005 -6.647 1.523 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.226 -8.116 2.077 1.00 63.02 H new ATOM 0 HG LEU A 87 0.729 -7.892 -0.424 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.353 -9.059 -1.052 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.712 -9.636 0.505 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -2.102 -8.525 0.472 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -0.980 -6.745 -1.778 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.722 -6.108 -0.291 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.076 -5.610 -0.748 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.405 -6.499 1.871 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.709 -7.151 1.845 1.00 20.25 C ATOM 1343 C TYR A 88 -4.989 -7.686 0.445 1.00 64.41 C ATOM 1344 O TYR A 88 -5.519 -6.968 -0.404 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.824 -6.183 2.241 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.894 -5.873 3.718 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.825 -5.284 4.381 1.00 73.15 C ATOM 1348 CD2 TYR A 88 -7.038 -6.164 4.446 1.00 30.13 C ATOM 1349 CE1 TYR A 88 -4.898 -4.997 5.731 1.00 54.40 C ATOM 1350 CE2 TYR A 88 -7.119 -5.880 5.794 1.00 35.44 C ATOM 1351 CZ TYR A 88 -6.047 -5.296 6.432 1.00 1.22 C ATOM 1352 OH TYR A 88 -6.121 -5.018 7.776 1.00 3.10 O ATOM 0 H TYR A 88 -3.415 -5.521 1.581 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.688 -7.969 2.565 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.689 -5.250 1.694 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.780 -6.602 1.926 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.924 -5.047 3.834 1.00 73.15 H new ATOM 0 HD2 TYR A 88 -7.881 -6.621 3.949 1.00 30.13 H new ATOM 0 HE1 TYR A 88 -4.059 -4.541 6.235 1.00 54.40 H new ATOM 0 HE2 TYR A 88 -8.018 -6.114 6.345 1.00 35.44 H new ATOM 0 HH TYR A 88 -5.549 -4.250 7.983 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.642 -8.953 0.177 1.00 54.33 N ATOM 1363 CA PRO A 89 -4.864 -9.568 -1.129 1.00 44.12 C ATOM 1364 C PRO A 89 -6.317 -9.514 -1.538 1.00 5.24 C ATOM 1365 O PRO A 89 -7.178 -9.084 -0.770 1.00 54.43 O ATOM 1366 CB PRO A 89 -4.456 -11.032 -0.924 1.00 1.30 C ATOM 1367 CG PRO A 89 -4.413 -11.220 0.551 1.00 52.43 C ATOM 1368 CD PRO A 89 -4.016 -9.893 1.112 1.00 64.41 C ATOM 0 HA PRO A 89 -4.303 -9.055 -1.910 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.173 -11.710 -1.387 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -3.486 -11.238 -1.376 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -5.384 -11.534 0.935 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -3.696 -11.993 0.827 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.382 -9.757 2.130 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -2.933 -9.773 1.144 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.591 -9.995 -2.735 1.00 0.43 N ATOM 1377 CA ALA A 90 -7.953 -10.042 -3.221 1.00 75.24 C ATOM 1378 C ALA A 90 -8.524 -11.418 -2.945 1.00 45.22 C ATOM 1379 O ALA A 90 -9.022 -12.103 -3.839 1.00 1.13 O ATOM 1380 CB ALA A 90 -8.018 -9.703 -4.703 1.00 33.05 C ATOM 0 H ALA A 90 -5.892 -10.356 -3.384 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.550 -9.294 -2.699 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.053 -9.746 -5.041 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.625 -8.699 -4.864 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.422 -10.421 -5.267 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.433 -11.807 -1.683 1.00 72.10 N ATOM 1387 CA GLY A 91 -8.925 -13.099 -1.255 1.00 72.44 C ATOM 1388 C GLY A 91 -8.531 -13.400 0.175 1.00 51.35 C ATOM 1389 O GLY A 91 -9.190 -14.185 0.856 1.00 44.12 O ATOM 0 H GLY A 91 -8.022 -11.243 -0.939 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -10.011 -13.124 -1.347 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -8.532 -13.875 -1.912 1.00 72.44 H new ATOM 1393 N ALA A 92 -7.452 -12.768 0.633 1.00 43.32 N ATOM 1394 CA ALA A 92 -6.977 -12.970 1.997 1.00 72.41 C ATOM 1395 C ALA A 92 -6.908 -11.644 2.754 1.00 74.42 C ATOM 1396 O ALA A 92 -5.898 -11.323 3.381 1.00 70.33 O ATOM 1397 CB ALA A 92 -5.619 -13.660 1.989 1.00 31.53 C ATOM 0 H ALA A 92 -6.894 -12.116 0.082 1.00 43.32 H new ATOM 0 HA ALA A 92 -7.688 -13.614 2.515 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -5.278 -13.804 3.014 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -5.706 -14.628 1.496 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -4.900 -13.042 1.451 1.00 31.53 H new ATOM 1403 N LYS A 93 -7.998 -10.883 2.694 1.00 63.44 N ATOM 1404 CA LYS A 93 -8.079 -9.593 3.376 1.00 62.03 C ATOM 1405 C LYS A 93 -8.290 -9.778 4.883 1.00 52.40 C ATOM 1406 O LYS A 93 -8.463 -8.803 5.615 1.00 73.44 O ATOM 1407 CB LYS A 93 -9.230 -8.770 2.793 1.00 51.10 C ATOM 1408 CG LYS A 93 -10.597 -9.402 3.005 1.00 74.33 C ATOM 1409 CD LYS A 93 -11.344 -9.578 1.691 1.00 31.12 C ATOM 1410 CE LYS A 93 -11.318 -11.025 1.224 1.00 50.44 C ATOM 1411 NZ LYS A 93 -11.733 -11.965 2.302 1.00 73.13 N ATOM 0 H LYS A 93 -8.840 -11.138 2.178 1.00 63.44 H new ATOM 0 HA LYS A 93 -7.137 -9.067 3.223 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -9.223 -7.779 3.246 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -9.064 -8.633 1.724 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -10.479 -10.371 3.489 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -11.186 -8.779 3.678 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -12.377 -9.252 1.812 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -10.896 -8.941 0.929 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -11.980 -11.141 0.366 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -10.313 -11.280 0.888 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -12.245 -12.768 1.884 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -10.890 -12.314 2.802 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -12.354 -11.470 2.974 1.00 73.13 H new ATOM 1425 N GLY A 94 -8.276 -11.031 5.340 1.00 31.24 N ATOM 1426 CA GLY A 94 -8.467 -11.316 6.749 1.00 21.30 C ATOM 1427 C GLY A 94 -7.159 -11.567 7.470 1.00 43.25 C ATOM 1428 O GLY A 94 -7.089 -11.458 8.695 1.00 34.03 O ATOM 0 H GLY A 94 -8.135 -11.854 4.754 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -8.983 -10.479 7.219 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -9.111 -12.189 6.856 1.00 21.30 H new ATOM 1432 N GLN A 95 -6.113 -11.880 6.711 1.00 30.14 N ATOM 1433 CA GLN A 95 -4.801 -12.116 7.289 1.00 32.12 C ATOM 1434 C GLN A 95 -3.727 -11.445 6.441 1.00 35.41 C ATOM 1435 O GLN A 95 -2.757 -12.077 6.022 1.00 1.14 O ATOM 1436 CB GLN A 95 -4.515 -13.611 7.409 1.00 22.32 C ATOM 1437 CG GLN A 95 -3.150 -13.901 8.005 1.00 60.44 C ATOM 1438 CD GLN A 95 -3.199 -14.943 9.105 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -3.593 -16.086 8.876 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -2.797 -14.552 10.309 1.00 12.52 N ATOM 0 H GLN A 95 -6.152 -11.975 5.696 1.00 30.14 H new ATOM 0 HA GLN A 95 -4.788 -11.686 8.290 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -5.283 -14.075 8.028 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -4.581 -14.070 6.422 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -2.479 -14.243 7.217 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -2.729 -12.978 8.404 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -2.478 -13.594 10.454 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -2.807 -15.210 11.089 1.00 12.52 H new ATOM 1449 N PRO A 96 -3.903 -10.142 6.185 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.970 -9.340 5.394 1.00 41.01 C ATOM 1451 C PRO A 96 -1.510 -9.627 5.718 1.00 1.53 C ATOM 1452 O PRO A 96 -1.204 -10.384 6.639 1.00 11.13 O ATOM 1453 CB PRO A 96 -3.297 -7.921 5.835 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.730 -7.945 6.230 1.00 12.13 C ATOM 1455 CD PRO A 96 -5.055 -9.349 6.647 1.00 13.13 C ATOM 0 HA PRO A 96 -3.078 -9.540 4.328 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.666 -7.614 6.669 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -3.125 -7.210 5.027 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.915 -7.249 7.048 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -5.363 -7.635 5.399 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -5.182 -9.424 7.727 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -5.984 -9.694 6.192 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.608 -8.985 4.982 1.00 3.32 N ATOM 1464 CA VAL A 97 0.806 -9.147 5.225 1.00 62.24 C ATOM 1465 C VAL A 97 1.354 -7.900 5.889 1.00 12.14 C ATOM 1466 O VAL A 97 1.906 -7.024 5.224 1.00 15.12 O ATOM 1467 CB VAL A 97 1.587 -9.415 3.928 1.00 14.00 C ATOM 1468 CG1 VAL A 97 3.029 -9.776 4.247 1.00 44.42 C ATOM 1469 CG2 VAL A 97 0.915 -10.512 3.114 1.00 64.03 C ATOM 0 H VAL A 97 -0.838 -8.351 4.217 1.00 3.32 H new ATOM 0 HA VAL A 97 0.931 -10.012 5.877 1.00 62.24 H new ATOM 0 HB VAL A 97 1.588 -8.506 3.326 1.00 14.00 H new ATOM 0 HG11 VAL A 97 3.571 -9.963 3.320 1.00 44.42 H new ATOM 0 HG12 VAL A 97 3.500 -8.952 4.783 1.00 44.42 H new ATOM 0 HG13 VAL A 97 3.051 -10.672 4.867 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.483 -10.687 2.200 1.00 64.03 H new ATOM 0 HG22 VAL A 97 0.879 -11.430 3.700 1.00 64.03 H new ATOM 0 HG23 VAL A 97 -0.099 -10.206 2.858 1.00 64.03 H new ATOM 1479 N THR A 98 1.183 -7.821 7.205 1.00 41.44 N ATOM 1480 CA THR A 98 1.661 -6.677 7.966 1.00 64.43 C ATOM 1481 C THR A 98 3.175 -6.604 7.880 1.00 21.02 C ATOM 1482 O THR A 98 3.862 -7.620 7.986 1.00 30.03 O ATOM 1483 CB THR A 98 1.205 -6.770 9.419 1.00 34.02 C ATOM 1484 OG1 THR A 98 1.892 -5.828 10.223 1.00 24.31 O ATOM 1485 CG2 THR A 98 1.416 -8.139 10.029 1.00 50.13 C ATOM 0 H THR A 98 0.717 -8.536 7.764 1.00 41.44 H new ATOM 0 HA THR A 98 1.239 -5.766 7.541 1.00 64.43 H new ATOM 0 HB THR A 98 0.135 -6.563 9.398 1.00 34.02 H new ATOM 0 HG1 THR A 98 1.584 -5.903 11.150 1.00 24.31 H new ATOM 0 HG21 THR A 98 1.070 -8.134 11.063 1.00 50.13 H new ATOM 0 HG22 THR A 98 0.854 -8.881 9.462 1.00 50.13 H new ATOM 0 HG23 THR A 98 2.476 -8.390 10.003 1.00 50.13 H new ATOM 1493 N TYR A 99 3.689 -5.410 7.634 1.00 11.02 N ATOM 1494 CA TYR A 99 5.119 -5.230 7.474 1.00 35.40 C ATOM 1495 C TYR A 99 5.612 -3.926 8.092 1.00 21.30 C ATOM 1496 O TYR A 99 4.847 -3.189 8.709 1.00 23.13 O ATOM 1497 CB TYR A 99 5.437 -5.266 5.985 1.00 10.30 C ATOM 1498 CG TYR A 99 6.300 -6.435 5.590 1.00 52.22 C ATOM 1499 CD1 TYR A 99 7.685 -6.375 5.680 1.00 32.43 C ATOM 1500 CD2 TYR A 99 5.719 -7.610 5.128 1.00 4.22 C ATOM 1501 CE1 TYR A 99 8.469 -7.454 5.318 1.00 14.41 C ATOM 1502 CE2 TYR A 99 6.496 -8.693 4.764 1.00 35.13 C ATOM 1503 CZ TYR A 99 7.870 -8.610 4.861 1.00 52.53 C ATOM 1504 OH TYR A 99 8.648 -9.687 4.500 1.00 43.14 O ATOM 0 H TYR A 99 3.139 -4.556 7.541 1.00 11.02 H new ATOM 0 HA TYR A 99 5.635 -6.034 7.999 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.505 -5.305 5.422 1.00 10.30 H new ATOM 0 HB3 TYR A 99 5.940 -4.340 5.705 1.00 10.30 H new ATOM 0 HD1 TYR A 99 8.156 -5.472 6.038 1.00 32.43 H new ATOM 0 HD2 TYR A 99 4.644 -7.678 5.052 1.00 4.22 H new ATOM 0 HE1 TYR A 99 9.545 -7.393 5.392 1.00 14.41 H new ATOM 0 HE2 TYR A 99 6.031 -9.599 4.406 1.00 35.13 H new ATOM 0 HH TYR A 99 8.072 -10.421 4.201 1.00 43.14 H new ATOM 1514 N SER A 100 6.904 -3.654 7.917 1.00 31.31 N ATOM 1515 CA SER A 100 7.515 -2.441 8.450 1.00 32.14 C ATOM 1516 C SER A 100 7.948 -1.505 7.321 1.00 23.31 C ATOM 1517 O SER A 100 8.007 -0.289 7.502 1.00 62.10 O ATOM 1518 CB SER A 100 8.720 -2.795 9.323 1.00 40.51 C ATOM 1519 OG SER A 100 8.324 -3.048 10.660 1.00 1.21 O ATOM 0 H SER A 100 7.548 -4.260 7.409 1.00 31.31 H new ATOM 0 HA SER A 100 6.771 -1.927 9.058 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.222 -3.673 8.917 1.00 40.51 H new ATOM 0 HB3 SER A 100 9.441 -1.978 9.302 1.00 40.51 H new ATOM 0 HG SER A 100 9.112 -3.274 11.197 1.00 1.21 H new ATOM 1525 N GLY A 101 8.243 -2.078 6.155 1.00 13.00 N ATOM 1526 CA GLY A 101 8.658 -1.275 5.017 1.00 32.02 C ATOM 1527 C GLY A 101 10.117 -1.477 4.650 1.00 62.13 C ATOM 1528 O GLY A 101 11.012 -1.038 5.373 1.00 15.31 O ATOM 0 H GLY A 101 8.202 -3.082 5.979 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.035 -1.523 4.158 1.00 32.02 H new ATOM 0 HA3 GLY A 101 8.488 -0.222 5.241 1.00 32.02 H new ATOM 1532 N SER A 102 10.357 -2.142 3.523 1.00 50.31 N ATOM 1533 CA SER A 102 11.718 -2.402 3.058 1.00 71.21 C ATOM 1534 C SER A 102 12.187 -1.332 2.068 1.00 63.42 C ATOM 1535 O SER A 102 13.294 -1.414 1.537 1.00 24.21 O ATOM 1536 CB SER A 102 11.798 -3.783 2.406 1.00 23.50 C ATOM 1537 OG SER A 102 12.177 -4.771 3.348 1.00 75.23 O ATOM 0 H SER A 102 9.627 -2.511 2.914 1.00 50.31 H new ATOM 0 HA SER A 102 12.377 -2.372 3.926 1.00 71.21 H new ATOM 0 HB2 SER A 102 10.831 -4.041 1.973 1.00 23.50 H new ATOM 0 HB3 SER A 102 12.518 -3.761 1.588 1.00 23.50 H new ATOM 0 HG SER A 102 12.219 -5.645 2.906 1.00 75.23 H new ATOM 1543 N ARG A 103 11.340 -0.332 1.827 1.00 13.43 N ATOM 1544 CA ARG A 103 11.661 0.760 0.906 1.00 74.42 C ATOM 1545 C ARG A 103 12.219 0.246 -0.421 1.00 52.14 C ATOM 1546 O ARG A 103 12.980 0.941 -1.094 1.00 2.14 O ATOM 1547 CB ARG A 103 12.652 1.733 1.554 1.00 32.55 C ATOM 1548 CG ARG A 103 14.047 1.159 1.742 1.00 62.25 C ATOM 1549 CD ARG A 103 15.070 2.253 2.001 1.00 24.05 C ATOM 1550 NE ARG A 103 16.372 1.933 1.422 1.00 31.04 N ATOM 1551 CZ ARG A 103 17.194 1.007 1.910 1.00 1.13 C ATOM 1552 NH1 ARG A 103 16.852 0.306 2.984 1.00 72.31 N ATOM 1553 NH2 ARG A 103 18.361 0.780 1.322 1.00 73.50 N ATOM 0 H ARG A 103 10.420 -0.255 2.260 1.00 13.43 H new ATOM 0 HA ARG A 103 10.731 1.285 0.690 1.00 74.42 H new ATOM 0 HB2 ARG A 103 12.719 2.631 0.939 1.00 32.55 H new ATOM 0 HB3 ARG A 103 12.262 2.040 2.525 1.00 32.55 H new ATOM 0 HG2 ARG A 103 14.044 0.458 2.577 1.00 62.25 H new ATOM 0 HG3 ARG A 103 14.332 0.596 0.854 1.00 62.25 H new ATOM 0 HD2 ARG A 103 14.709 3.193 1.584 1.00 24.05 H new ATOM 0 HD3 ARG A 103 15.178 2.402 3.075 1.00 24.05 H new ATOM 0 HE ARG A 103 16.669 2.450 0.594 1.00 31.04 H new ATOM 0 HH11 ARG A 103 15.955 0.476 3.440 1.00 72.31 H new ATOM 0 HH12 ARG A 103 17.486 -0.402 3.354 1.00 72.31 H new ATOM 0 HH21 ARG A 103 18.628 1.315 0.496 1.00 73.50 H new ATOM 0 HH22 ARG A 103 18.991 0.070 1.696 1.00 73.50 H new ATOM 1567 N THR A 104 11.836 -0.970 -0.790 1.00 51.13 N ATOM 1568 CA THR A 104 12.295 -1.574 -2.035 1.00 63.43 C ATOM 1569 C THR A 104 11.147 -1.803 -3.011 1.00 10.52 C ATOM 1570 O THR A 104 10.136 -2.414 -2.665 1.00 43.31 O ATOM 1571 CB THR A 104 12.982 -2.899 -1.739 1.00 53.32 C ATOM 1572 OG1 THR A 104 12.224 -3.661 -0.816 1.00 61.20 O ATOM 1573 CG2 THR A 104 14.357 -2.715 -1.163 1.00 35.33 C ATOM 0 H THR A 104 11.207 -1.559 -0.244 1.00 51.13 H new ATOM 0 HA THR A 104 12.998 -0.883 -2.500 1.00 63.43 H new ATOM 0 HB THR A 104 13.063 -3.417 -2.695 1.00 53.32 H new ATOM 0 HG1 THR A 104 12.806 -4.314 -0.375 1.00 61.20 H new ATOM 0 HG21 THR A 104 14.804 -3.690 -0.970 1.00 35.33 H new ATOM 0 HG22 THR A 104 14.977 -2.165 -1.871 1.00 35.33 H new ATOM 0 HG23 THR A 104 14.289 -2.156 -0.230 1.00 35.33 H new ATOM 1581 N VAL A 105 11.320 -1.323 -4.238 1.00 53.23 N ATOM 1582 CA VAL A 105 10.310 -1.489 -5.272 1.00 31.22 C ATOM 1583 C VAL A 105 10.321 -2.915 -5.806 1.00 4.43 C ATOM 1584 O VAL A 105 9.283 -3.455 -6.188 1.00 4.43 O ATOM 1585 CB VAL A 105 10.538 -0.520 -6.448 1.00 25.14 C ATOM 1586 CG1 VAL A 105 9.502 -0.752 -7.539 1.00 41.23 C ATOM 1587 CG2 VAL A 105 10.509 0.922 -5.970 1.00 12.42 C ATOM 0 H VAL A 105 12.152 -0.816 -4.539 1.00 53.23 H new ATOM 0 HA VAL A 105 9.346 -1.269 -4.814 1.00 31.22 H new ATOM 0 HB VAL A 105 11.525 -0.715 -6.868 1.00 25.14 H new ATOM 0 HG11 VAL A 105 9.678 -0.059 -8.362 1.00 41.23 H new ATOM 0 HG12 VAL A 105 9.581 -1.776 -7.904 1.00 41.23 H new ATOM 0 HG13 VAL A 105 8.504 -0.587 -7.134 1.00 41.23 H new ATOM 0 HG21 VAL A 105 10.672 1.589 -6.816 1.00 12.42 H new ATOM 0 HG22 VAL A 105 9.540 1.137 -5.520 1.00 12.42 H new ATOM 0 HG23 VAL A 105 11.294 1.076 -5.230 1.00 12.42 H new ATOM 1597 N GLU A 106 11.501 -3.521 -5.830 1.00 21.14 N ATOM 1598 CA GLU A 106 11.641 -4.884 -6.317 1.00 34.33 C ATOM 1599 C GLU A 106 10.983 -5.847 -5.347 1.00 74.15 C ATOM 1600 O GLU A 106 10.379 -6.852 -5.742 1.00 5.20 O ATOM 1601 CB GLU A 106 13.119 -5.234 -6.483 1.00 44.31 C ATOM 1602 CG GLU A 106 13.954 -4.085 -7.019 1.00 51.44 C ATOM 1603 CD GLU A 106 14.775 -4.472 -8.233 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.154 -5.657 -8.341 1.00 13.12 O ATOM 1605 OE2 GLU A 106 15.040 -3.589 -9.077 1.00 0.23 O ATOM 0 H GLU A 106 12.372 -3.090 -5.519 1.00 21.14 H new ATOM 0 HA GLU A 106 11.151 -4.966 -7.287 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.521 -5.547 -5.519 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.210 -6.085 -7.158 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.297 -3.255 -7.280 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.621 -3.729 -6.234 1.00 51.44 H new ATOM 1612 N ASP A 107 11.082 -5.510 -4.071 1.00 22.20 N ATOM 1613 CA ASP A 107 10.486 -6.315 -3.024 1.00 22.14 C ATOM 1614 C ASP A 107 8.986 -6.092 -3.002 1.00 30.35 C ATOM 1615 O ASP A 107 8.236 -6.935 -2.523 1.00 45.13 O ATOM 1616 CB ASP A 107 11.091 -5.970 -1.664 1.00 34.21 C ATOM 1617 CG ASP A 107 10.956 -7.103 -0.666 1.00 23.23 C ATOM 1618 OD1 ASP A 107 10.926 -8.275 -1.099 1.00 52.13 O ATOM 1619 OD2 ASP A 107 10.881 -6.820 0.548 1.00 53.32 O ATOM 0 H ASP A 107 11.572 -4.680 -3.737 1.00 22.20 H new ATOM 0 HA ASP A 107 10.692 -7.365 -3.230 1.00 22.14 H new ATOM 0 HB2 ASP A 107 12.146 -5.725 -1.790 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.602 -5.080 -1.267 1.00 34.21 H new ATOM 1624 N LEU A 108 8.561 -4.948 -3.541 1.00 13.14 N ATOM 1625 CA LEU A 108 7.149 -4.608 -3.604 1.00 21.53 C ATOM 1626 C LEU A 108 6.438 -5.502 -4.598 1.00 44.54 C ATOM 1627 O LEU A 108 5.414 -6.109 -4.287 1.00 54.12 O ATOM 1628 CB LEU A 108 6.973 -3.146 -4.009 1.00 44.23 C ATOM 1629 CG LEU A 108 6.949 -2.155 -2.850 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.631 -0.756 -3.353 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.936 -2.588 -1.800 1.00 1.34 C ATOM 0 H LEU A 108 9.181 -4.243 -3.940 1.00 13.14 H new ATOM 0 HA LEU A 108 6.714 -4.758 -2.616 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.783 -2.872 -4.685 1.00 44.23 H new ATOM 0 HB3 LEU A 108 6.043 -3.049 -4.570 1.00 44.23 H new ATOM 0 HG LEU A 108 7.937 -2.139 -2.389 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.618 -0.062 -2.513 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.392 -0.445 -4.069 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.655 -0.757 -3.838 1.00 11.13 H new ATOM 0 HD21 LEU A 108 5.932 -1.870 -0.980 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.944 -2.632 -2.248 1.00 1.34 H new ATOM 0 HD23 LEU A 108 6.206 -3.573 -1.418 1.00 1.34 H new ATOM 1643 N ILE A 109 6.999 -5.597 -5.794 1.00 64.31 N ATOM 1644 CA ILE A 109 6.424 -6.443 -6.823 1.00 13.12 C ATOM 1645 C ILE A 109 6.327 -7.872 -6.305 1.00 1.02 C ATOM 1646 O ILE A 109 5.251 -8.477 -6.294 1.00 62.41 O ATOM 1647 CB ILE A 109 7.271 -6.414 -8.110 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.348 -4.989 -8.664 1.00 63.20 C ATOM 1649 CG2 ILE A 109 6.701 -7.364 -9.154 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.765 -4.491 -8.855 1.00 65.14 C ATOM 0 H ILE A 109 7.846 -5.102 -6.073 1.00 64.31 H new ATOM 0 HA ILE A 109 5.431 -6.064 -7.064 1.00 13.12 H new ATOM 0 HB ILE A 109 8.280 -6.746 -7.865 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.826 -4.951 -9.620 1.00 63.20 H new ATOM 0 HG13 ILE A 109 6.823 -4.315 -7.987 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.315 -7.327 -10.054 1.00 5.30 H new ATOM 0 HG22 ILE A 109 6.698 -8.380 -8.759 1.00 5.30 H new ATOM 0 HG23 ILE A 109 5.681 -7.067 -9.398 1.00 5.30 H new ATOM 0 HD11 ILE A 109 8.744 -3.475 -9.250 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.285 -4.497 -7.897 1.00 65.14 H new ATOM 0 HD13 ILE A 109 9.288 -5.142 -9.556 1.00 65.14 H new ATOM 1662 N LYS A 110 7.455 -8.386 -5.830 1.00 11.50 N ATOM 1663 CA LYS A 110 7.503 -9.723 -5.272 1.00 41.30 C ATOM 1664 C LYS A 110 6.644 -9.791 -4.023 1.00 4.32 C ATOM 1665 O LYS A 110 6.229 -10.868 -3.593 1.00 2.43 O ATOM 1666 CB LYS A 110 8.942 -10.090 -4.917 1.00 41.03 C ATOM 1667 CG LYS A 110 9.515 -11.215 -5.764 1.00 60.41 C ATOM 1668 CD LYS A 110 9.494 -12.540 -5.020 1.00 43.44 C ATOM 1669 CE LYS A 110 10.729 -13.372 -5.328 1.00 44.51 C ATOM 1670 NZ LYS A 110 11.265 -14.042 -4.112 1.00 34.32 N ATOM 0 H LYS A 110 8.348 -7.893 -5.822 1.00 11.50 H new ATOM 0 HA LYS A 110 7.124 -10.427 -6.013 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.571 -9.207 -5.029 1.00 41.03 H new ATOM 0 HB3 LYS A 110 8.985 -10.380 -3.867 1.00 41.03 H new ATOM 0 HG2 LYS A 110 8.941 -11.306 -6.686 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.539 -10.972 -6.048 1.00 60.41 H new ATOM 0 HD2 LYS A 110 9.437 -12.355 -3.947 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.600 -13.099 -5.295 1.00 43.44 H new ATOM 0 HE2 LYS A 110 10.482 -14.124 -6.078 1.00 44.51 H new ATOM 0 HE3 LYS A 110 11.499 -12.732 -5.759 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 12.106 -14.599 -4.365 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 11.524 -13.324 -3.406 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 10.539 -14.672 -3.714 1.00 34.32 H new ATOM 1684 N PHE A 111 6.388 -8.627 -3.438 1.00 33.42 N ATOM 1685 CA PHE A 111 5.604 -8.542 -2.248 1.00 12.40 C ATOM 1686 C PHE A 111 4.176 -8.979 -2.520 1.00 40.41 C ATOM 1687 O PHE A 111 3.797 -10.100 -2.212 1.00 21.53 O ATOM 1688 CB PHE A 111 5.645 -7.113 -1.746 1.00 64.35 C ATOM 1689 CG PHE A 111 6.067 -6.980 -0.315 1.00 33.13 C ATOM 1690 CD1 PHE A 111 7.218 -7.607 0.134 1.00 12.22 C ATOM 1691 CD2 PHE A 111 5.324 -6.227 0.577 1.00 43.23 C ATOM 1692 CE1 PHE A 111 7.619 -7.485 1.448 1.00 2.32 C ATOM 1693 CE2 PHE A 111 5.721 -6.100 1.893 1.00 33.12 C ATOM 1694 CZ PHE A 111 6.870 -6.731 2.328 1.00 24.21 C ATOM 0 H PHE A 111 6.724 -7.729 -3.786 1.00 33.42 H new ATOM 0 HA PHE A 111 6.011 -9.207 -1.487 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.330 -6.539 -2.370 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.657 -6.669 -1.865 1.00 64.35 H new ATOM 0 HD1 PHE A 111 7.807 -8.197 -0.552 1.00 12.22 H new ATOM 0 HD2 PHE A 111 4.424 -5.734 0.240 1.00 43.23 H new ATOM 0 HE1 PHE A 111 8.518 -7.979 1.787 1.00 2.32 H new ATOM 0 HE2 PHE A 111 5.135 -5.509 2.581 1.00 33.12 H new ATOM 0 HZ PHE A 111 7.182 -6.634 3.357 1.00 24.21 H new ATOM 1704 N ILE A 112 3.398 -8.094 -3.128 1.00 71.40 N ATOM 1705 CA ILE A 112 2.013 -8.401 -3.462 1.00 72.10 C ATOM 1706 C ILE A 112 1.935 -9.557 -4.457 1.00 63.21 C ATOM 1707 O ILE A 112 0.855 -10.062 -4.752 1.00 61.34 O ATOM 1708 CB ILE A 112 1.291 -7.174 -4.060 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.718 -5.891 -3.339 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.216 -7.354 -3.977 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.678 -5.039 -4.141 1.00 24.14 C ATOM 0 H ILE A 112 3.701 -7.159 -3.400 1.00 71.40 H new ATOM 0 HA ILE A 112 1.518 -8.686 -2.534 1.00 72.10 H new ATOM 0 HB ILE A 112 1.573 -7.087 -5.109 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.831 -5.303 -3.105 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.185 -6.155 -2.390 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.711 -6.481 -4.402 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.507 -8.244 -4.535 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.512 -7.466 -2.934 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.938 -4.148 -3.570 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.582 -5.610 -4.353 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.207 -4.745 -5.079 1.00 24.14 H new ATOM 1723 N ALA A 113 3.089 -9.977 -4.962 1.00 65.34 N ATOM 1724 CA ALA A 113 3.152 -11.078 -5.926 1.00 25.50 C ATOM 1725 C ALA A 113 3.355 -12.417 -5.228 1.00 50.32 C ATOM 1726 O ALA A 113 3.040 -13.473 -5.779 1.00 62.32 O ATOM 1727 CB ALA A 113 4.260 -10.841 -6.940 1.00 31.51 C ATOM 0 H ALA A 113 3.995 -9.575 -4.723 1.00 65.34 H new ATOM 0 HA ALA A 113 2.197 -11.111 -6.450 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.290 -11.670 -7.647 1.00 31.51 H new ATOM 0 HB2 ALA A 113 4.069 -9.912 -7.478 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.217 -10.770 -6.423 1.00 31.51 H new ATOM 1733 N GLU A 114 3.859 -12.361 -4.005 1.00 22.41 N ATOM 1734 CA GLU A 114 4.084 -13.561 -3.205 1.00 51.43 C ATOM 1735 C GLU A 114 3.198 -13.495 -1.974 1.00 52.15 C ATOM 1736 O GLU A 114 2.807 -14.510 -1.399 1.00 3.41 O ATOM 1737 CB GLU A 114 5.554 -13.672 -2.797 1.00 23.01 C ATOM 1738 CG GLU A 114 6.501 -13.845 -3.974 1.00 60.52 C ATOM 1739 CD GLU A 114 7.565 -14.894 -3.719 1.00 52.03 C ATOM 1740 OE1 GLU A 114 8.142 -14.897 -2.611 1.00 33.21 O ATOM 1741 OE2 GLU A 114 7.820 -15.714 -4.626 1.00 21.42 O ATOM 0 H GLU A 114 4.122 -11.492 -3.540 1.00 22.41 H new ATOM 0 HA GLU A 114 3.835 -14.444 -3.794 1.00 51.43 H new ATOM 0 HB2 GLU A 114 5.837 -12.777 -2.242 1.00 23.01 H new ATOM 0 HB3 GLU A 114 5.672 -14.518 -2.119 1.00 23.01 H new ATOM 0 HG2 GLU A 114 5.928 -14.122 -4.859 1.00 60.52 H new ATOM 0 HG3 GLU A 114 6.982 -12.891 -4.192 1.00 60.52 H new ATOM 1748 N ASN A 115 2.873 -12.265 -1.608 1.00 45.32 N ATOM 1749 CA ASN A 115 2.024 -11.964 -0.491 1.00 63.32 C ATOM 1750 C ASN A 115 0.593 -11.842 -0.977 1.00 23.34 C ATOM 1751 O ASN A 115 -0.357 -12.145 -0.255 1.00 24.10 O ATOM 1752 CB ASN A 115 2.491 -10.648 0.113 1.00 63.53 C ATOM 1753 CG ASN A 115 3.763 -10.816 0.907 1.00 20.43 C ATOM 1754 OD1 ASN A 115 3.744 -11.151 2.090 1.00 74.23 O ATOM 1755 ND2 ASN A 115 4.877 -10.590 0.239 1.00 70.42 N ATOM 0 H ASN A 115 3.206 -11.435 -2.099 1.00 45.32 H new ATOM 0 HA ASN A 115 2.072 -12.752 0.261 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.652 -9.920 -0.682 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.710 -10.247 0.759 1.00 63.53 H new ATOM 0 HD21 ASN A 115 5.780 -10.691 0.703 1.00 70.42 H new ATOM 0 HD22 ASN A 115 4.836 -10.314 -0.742 1.00 70.42 H new ATOM 1762 N GLY A 116 0.454 -11.396 -2.224 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.848 -11.239 -2.807 1.00 0.40 C ATOM 1764 C GLY A 116 -1.404 -12.540 -3.341 1.00 4.13 C ATOM 1765 O GLY A 116 -0.655 -13.477 -3.617 1.00 12.25 O ATOM 0 H GLY A 116 1.230 -11.142 -2.835 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.531 -10.835 -2.060 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.795 -10.511 -3.616 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.718 -12.592 -3.511 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.370 -13.780 -4.045 1.00 65.20 C ATOM 1771 C LYS A 117 -3.348 -13.704 -5.553 1.00 20.51 C ATOM 1772 O LYS A 117 -3.248 -14.713 -6.249 1.00 72.22 O ATOM 1773 CB LYS A 117 -4.815 -13.880 -3.561 1.00 72.12 C ATOM 1774 CG LYS A 117 -4.948 -13.985 -2.051 1.00 74.02 C ATOM 1775 CD LYS A 117 -4.870 -15.430 -1.584 1.00 64.42 C ATOM 1776 CE LYS A 117 -5.623 -15.636 -0.280 1.00 24.11 C ATOM 1777 NZ LYS A 117 -6.303 -16.960 -0.233 1.00 51.02 N ATOM 0 H LYS A 117 -3.353 -11.826 -3.287 1.00 30.14 H new ATOM 0 HA LYS A 117 -2.836 -14.664 -3.697 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.365 -13.004 -3.905 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -5.283 -14.751 -4.019 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -4.159 -13.404 -1.574 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -5.897 -13.551 -1.737 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -5.284 -16.084 -2.351 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -3.826 -15.715 -1.451 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -4.929 -15.555 0.556 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -6.362 -14.844 -0.159 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -6.805 -17.061 0.672 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -6.984 -17.028 -1.016 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -5.596 -17.717 -0.323 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.433 -12.477 -6.041 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.411 -12.210 -7.457 1.00 54.21 C ATOM 1793 C TYR A 118 -2.032 -12.526 -8.034 1.00 31.22 C ATOM 1794 O TYR A 118 -1.893 -12.788 -9.228 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.765 -10.745 -7.699 1.00 73.14 C ATOM 1796 CG TYR A 118 -5.122 -10.546 -8.331 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.283 -10.579 -9.709 1.00 31.41 C ATOM 1798 CD2 TYR A 118 -6.243 -10.325 -7.543 1.00 22.41 C ATOM 1799 CE1 TYR A 118 -6.526 -10.398 -10.286 1.00 61.32 C ATOM 1800 CE2 TYR A 118 -7.488 -10.143 -8.110 1.00 2.21 C ATOM 1801 CZ TYR A 118 -7.625 -10.180 -9.482 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.865 -9.999 -10.051 1.00 31.31 O ATOM 0 H TYR A 118 -3.519 -11.643 -5.461 1.00 41.14 H new ATOM 0 HA TYR A 118 -4.144 -12.844 -7.956 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.734 -10.211 -6.749 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -3.006 -10.298 -8.341 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.424 -10.749 -10.341 1.00 31.41 H new ATOM 0 HD2 TYR A 118 -6.139 -10.295 -6.468 1.00 22.41 H new ATOM 0 HE1 TYR A 118 -6.636 -10.427 -11.360 1.00 61.32 H new ATOM 0 HE2 TYR A 118 -8.350 -9.972 -7.483 1.00 2.21 H new ATOM 0 HH TYR A 118 -9.531 -9.859 -9.346 1.00 31.31 H new ATOM 1812 N LYS A 119 -1.012 -12.499 -7.172 1.00 14.21 N ATOM 1813 CA LYS A 119 0.355 -12.782 -7.594 1.00 21.52 C ATOM 1814 C LYS A 119 0.788 -11.850 -8.721 1.00 1.24 C ATOM 1815 O LYS A 119 1.473 -12.267 -9.655 1.00 32.33 O ATOM 1816 CB LYS A 119 0.485 -14.235 -8.046 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.257 -15.222 -7.162 1.00 41.10 C ATOM 1818 CD LYS A 119 0.328 -15.258 -5.760 1.00 73.22 C ATOM 1819 CE LYS A 119 -0.545 -16.066 -4.813 1.00 43.03 C ATOM 1820 NZ LYS A 119 -0.061 -15.987 -3.407 1.00 25.12 N ATOM 0 H LYS A 119 -1.111 -12.284 -6.180 1.00 14.21 H new ATOM 0 HA LYS A 119 1.008 -12.614 -6.738 1.00 21.52 H new ATOM 0 HB2 LYS A 119 0.111 -14.323 -9.066 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.541 -14.505 -8.069 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.311 -14.947 -7.111 1.00 41.10 H new ATOM 0 HG3 LYS A 119 -0.208 -16.217 -7.604 1.00 41.10 H new ATOM 0 HD2 LYS A 119 1.328 -15.690 -5.793 1.00 73.22 H new ATOM 0 HD3 LYS A 119 0.433 -14.241 -5.382 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -1.571 -15.701 -4.865 1.00 43.03 H new ATOM 0 HE3 LYS A 119 -0.561 -17.108 -5.133 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 -0.562 -16.691 -2.827 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 0.961 -16.180 -3.380 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 -0.243 -15.035 -3.030 1.00 25.12 H new ATOM 1834 N ALA A 120 0.386 -10.589 -8.627 1.00 74.40 N ATOM 1835 CA ALA A 120 0.736 -9.602 -9.641 1.00 54.30 C ATOM 1836 C ALA A 120 2.229 -9.293 -9.612 1.00 30.52 C ATOM 1837 O ALA A 120 2.707 -8.576 -8.733 1.00 33.35 O ATOM 1838 CB ALA A 120 -0.073 -8.331 -9.442 1.00 64.55 C ATOM 0 H ALA A 120 -0.181 -10.226 -7.861 1.00 74.40 H new ATOM 0 HA ALA A 120 0.497 -10.020 -10.619 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.199 -7.603 -10.206 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -1.136 -8.560 -9.521 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.137 -7.917 -8.456 1.00 64.55 H new ATOM 1844 N ALA A 121 2.960 -9.837 -10.579 1.00 10.42 N ATOM 1845 CA ALA A 121 4.398 -9.619 -10.665 1.00 22.33 C ATOM 1846 C ALA A 121 4.866 -9.616 -12.117 1.00 32.25 C ATOM 1847 O ALA A 121 6.090 -9.519 -12.344 1.00 52.14 O ATOM 1848 CB ALA A 121 5.141 -10.682 -9.869 1.00 73.22 C ATOM 1849 OXT ALA A 121 4.004 -9.713 -13.016 1.00 38.03 O ATOM 0 H ALA A 121 2.579 -10.432 -11.314 1.00 10.42 H new ATOM 0 HA ALA A 121 4.620 -8.641 -10.238 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.214 -10.507 -9.942 1.00 73.22 H new ATOM 0 HB2 ALA A 121 4.836 -10.634 -8.824 1.00 73.22 H new ATOM 0 HB3 ALA A 121 4.906 -11.668 -10.270 1.00 73.22 H new