USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 Single : A 9 THR OG1 : rot 37:sc= 0.503 USER MOD Single : A 10 MET CE :methyl 155:sc= -9.24! (180deg=-15!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.4 K(o=-1.4,f=0) USER MOD Single : A 21 SER OG : rot 160:sc= 0.00554 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -5.16! C(o=-5.2!,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.152 (180deg=-0.879) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.16! X(o=-2.2!,f=-1.7) USER MOD Single : A 35 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 42 TYR OH : rot -85:sc= 0.299 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -140:sc= 0.0155 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -152:sc= 0.605 USER MOD Single : A 62 GLN : amide:sc= -12! C(o=-12!,f=-4.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.11) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.809 9.820 4.273 1.00 4.22 N ATOM 73 CA GLU A 7 4.888 9.235 2.939 1.00 42.10 C ATOM 74 C GLU A 7 5.044 7.720 3.018 1.00 63.10 C ATOM 75 O GLU A 7 5.968 7.212 3.652 1.00 35.40 O ATOM 76 CB GLU A 7 6.060 9.840 2.163 1.00 11.31 C ATOM 77 CG GLU A 7 7.332 9.971 2.984 1.00 13.01 C ATOM 78 CD GLU A 7 7.652 11.409 3.338 1.00 51.54 C ATOM 79 OE1 GLU A 7 6.989 11.961 4.240 1.00 65.54 O ATOM 80 OE2 GLU A 7 8.568 11.984 2.713 1.00 53.21 O ATOM 0 HA GLU A 7 3.959 9.460 2.415 1.00 42.10 H new ATOM 0 HB2 GLU A 7 6.264 9.221 1.289 1.00 11.31 H new ATOM 0 HB3 GLU A 7 5.772 10.825 1.796 1.00 11.31 H new ATOM 0 HG2 GLU A 7 7.230 9.389 3.900 1.00 13.01 H new ATOM 0 HG3 GLU A 7 8.165 9.544 2.426 1.00 13.01 H new ATOM 85 N VAL A 8 4.133 7.003 2.369 1.00 61.40 N ATOM 86 CA VAL A 8 4.168 5.545 2.363 1.00 65.31 C ATOM 87 C VAL A 8 4.721 5.013 1.046 1.00 62.31 C ATOM 88 O VAL A 8 4.168 5.274 -0.023 1.00 63.54 O ATOM 89 CB VAL A 8 2.767 4.949 2.598 1.00 31.04 C ATOM 90 CG1 VAL A 8 1.762 5.546 1.624 1.00 11.00 C ATOM 91 CG2 VAL A 8 2.806 3.434 2.474 1.00 64.43 C ATOM 0 H VAL A 8 3.361 7.408 1.840 1.00 61.40 H new ATOM 0 HA VAL A 8 4.825 5.241 3.178 1.00 65.31 H new ATOM 0 HB VAL A 8 2.449 5.200 3.610 1.00 31.04 H new ATOM 0 HG11 VAL A 8 0.778 5.113 1.805 1.00 11.00 H new ATOM 0 HG12 VAL A 8 1.715 6.626 1.766 1.00 11.00 H new ATOM 0 HG13 VAL A 8 2.072 5.328 0.602 1.00 11.00 H new ATOM 0 HG21 VAL A 8 1.808 3.029 2.643 1.00 64.43 H new ATOM 0 HG22 VAL A 8 3.145 3.159 1.475 1.00 64.43 H new ATOM 0 HG23 VAL A 8 3.493 3.026 3.215 1.00 64.43 H new ATOM 101 N THR A 9 5.817 4.265 1.130 1.00 23.33 N ATOM 102 CA THR A 9 6.445 3.696 -0.057 1.00 43.54 C ATOM 103 C THR A 9 6.630 2.190 0.089 1.00 14.40 C ATOM 104 O THR A 9 7.338 1.725 0.982 1.00 44.23 O ATOM 105 CB THR A 9 7.815 4.346 -0.332 1.00 25.34 C ATOM 106 OG1 THR A 9 8.666 4.199 0.810 1.00 20.02 O ATOM 107 CG2 THR A 9 7.656 5.822 -0.666 1.00 33.32 C ATOM 0 H THR A 9 6.288 4.039 2.006 1.00 23.33 H new ATOM 0 HA THR A 9 5.780 3.898 -0.896 1.00 43.54 H new ATOM 0 HB THR A 9 8.266 3.842 -1.187 1.00 25.34 H new ATOM 0 HG1 THR A 9 8.509 3.325 1.225 1.00 20.02 H new ATOM 0 HG21 THR A 9 8.636 6.260 -0.856 1.00 33.32 H new ATOM 0 HG22 THR A 9 7.032 5.929 -1.553 1.00 33.32 H new ATOM 0 HG23 THR A 9 7.186 6.336 0.172 1.00 33.32 H new ATOM 115 N MET A 10 5.990 1.433 -0.796 1.00 54.12 N ATOM 116 CA MET A 10 6.087 -0.023 -0.767 1.00 52.53 C ATOM 117 C MET A 10 7.285 -0.504 -1.579 1.00 22.35 C ATOM 118 O MET A 10 7.603 0.057 -2.628 1.00 41.12 O ATOM 119 CB MET A 10 4.802 -0.651 -1.310 1.00 74.21 C ATOM 120 CG MET A 10 3.537 -0.058 -0.712 1.00 44.12 C ATOM 121 SD MET A 10 2.190 0.050 -1.906 1.00 42.41 S ATOM 122 CE MET A 10 2.595 -1.310 -2.998 1.00 64.40 C ATOM 0 H MET A 10 5.399 1.802 -1.541 1.00 54.12 H new ATOM 0 HA MET A 10 6.225 -0.333 0.269 1.00 52.53 H new ATOM 0 HB2 MET A 10 4.776 -0.526 -2.393 1.00 74.21 H new ATOM 0 HB3 MET A 10 4.820 -1.723 -1.113 1.00 74.21 H new ATOM 0 HG2 MET A 10 3.219 -0.667 0.134 1.00 44.12 H new ATOM 0 HG3 MET A 10 3.755 0.937 -0.324 1.00 44.12 H new ATOM 0 HE1 MET A 10 1.690 -1.661 -3.493 1.00 64.40 H new ATOM 0 HE2 MET A 10 3.312 -0.974 -3.747 1.00 64.40 H new ATOM 0 HE3 MET A 10 3.030 -2.124 -2.419 1.00 64.40 H new ATOM 130 N LYS A 11 7.947 -1.547 -1.088 1.00 4.53 N ATOM 131 CA LYS A 11 9.109 -2.105 -1.767 1.00 11.55 C ATOM 132 C LYS A 11 8.972 -3.616 -1.929 1.00 4.22 C ATOM 133 O LYS A 11 8.516 -4.309 -1.019 1.00 3.14 O ATOM 134 CB LYS A 11 10.387 -1.779 -0.990 1.00 2.03 C ATOM 135 CG LYS A 11 11.527 -1.295 -1.869 1.00 24.42 C ATOM 136 CD LYS A 11 12.609 -2.352 -2.010 1.00 32.45 C ATOM 137 CE LYS A 11 13.964 -1.728 -2.302 1.00 72.11 C ATOM 138 NZ LYS A 11 14.885 -2.687 -2.972 1.00 71.32 N ATOM 0 H LYS A 11 7.697 -2.023 -0.221 1.00 4.53 H new ATOM 0 HA LYS A 11 9.169 -1.655 -2.758 1.00 11.55 H new ATOM 0 HB2 LYS A 11 10.164 -1.015 -0.245 1.00 2.03 H new ATOM 0 HB3 LYS A 11 10.709 -2.668 -0.448 1.00 2.03 H new ATOM 0 HG2 LYS A 11 11.142 -1.033 -2.855 1.00 24.42 H new ATOM 0 HG3 LYS A 11 11.956 -0.388 -1.443 1.00 24.42 H new ATOM 0 HD2 LYS A 11 12.668 -2.939 -1.093 1.00 32.45 H new ATOM 0 HD3 LYS A 11 12.344 -3.040 -2.812 1.00 32.45 H new ATOM 0 HE2 LYS A 11 13.831 -0.851 -2.935 1.00 72.11 H new ATOM 0 HE3 LYS A 11 14.413 -1.384 -1.370 1.00 72.11 H new ATOM 0 HZ1 LYS A 11 15.798 -2.223 -3.154 1.00 71.32 H new ATOM 0 HZ2 LYS A 11 15.033 -3.513 -2.358 1.00 71.32 H new ATOM 0 HZ3 LYS A 11 14.469 -2.996 -3.873 1.00 71.32 H new ATOM 148 N LYS A 12 9.371 -4.120 -3.092 1.00 24.51 N ATOM 149 CA LYS A 12 9.294 -5.549 -3.371 1.00 31.45 C ATOM 150 C LYS A 12 9.882 -6.362 -2.222 1.00 44.32 C ATOM 151 O LYS A 12 11.077 -6.283 -1.941 1.00 31.04 O ATOM 152 CB LYS A 12 10.034 -5.876 -4.671 1.00 53.51 C ATOM 153 CG LYS A 12 9.406 -7.010 -5.461 1.00 75.55 C ATOM 154 CD LYS A 12 9.256 -6.653 -6.929 1.00 5.40 C ATOM 155 CE LYS A 12 10.597 -6.666 -7.647 1.00 22.54 C ATOM 156 NZ LYS A 12 10.435 -6.809 -9.121 1.00 61.22 N ATOM 0 H LYS A 12 9.751 -3.561 -3.856 1.00 24.51 H new ATOM 0 HA LYS A 12 8.243 -5.815 -3.480 1.00 31.45 H new ATOM 0 HB2 LYS A 12 10.065 -4.983 -5.296 1.00 53.51 H new ATOM 0 HB3 LYS A 12 11.066 -6.137 -4.436 1.00 53.51 H new ATOM 0 HG2 LYS A 12 10.021 -7.905 -5.365 1.00 75.55 H new ATOM 0 HG3 LYS A 12 8.428 -7.248 -5.042 1.00 75.55 H new ATOM 0 HD2 LYS A 12 8.579 -7.360 -7.409 1.00 5.40 H new ATOM 0 HD3 LYS A 12 8.803 -5.666 -7.020 1.00 5.40 H new ATOM 0 HE2 LYS A 12 11.135 -5.744 -7.428 1.00 22.54 H new ATOM 0 HE3 LYS A 12 11.205 -7.487 -7.267 1.00 22.54 H new ATOM 0 HZ1 LYS A 12 11.371 -6.814 -9.574 1.00 61.22 H new ATOM 0 HZ2 LYS A 12 9.944 -7.701 -9.331 1.00 61.22 H new ATOM 0 HZ3 LYS A 12 9.877 -6.012 -9.488 1.00 61.22 H new ATOM 166 N GLY A 13 9.034 -7.143 -1.561 1.00 43.41 N ATOM 167 CA GLY A 13 9.488 -7.958 -0.450 1.00 73.01 C ATOM 168 C GLY A 13 9.318 -7.264 0.887 1.00 70.31 C ATOM 169 O GLY A 13 10.237 -7.247 1.706 1.00 43.24 O ATOM 0 H GLY A 13 8.040 -7.226 -1.775 1.00 43.41 H new ATOM 0 HA2 GLY A 13 8.934 -8.896 -0.442 1.00 73.01 H new ATOM 0 HA3 GLY A 13 10.539 -8.210 -0.594 1.00 73.01 H new ATOM 173 N ASP A 14 8.142 -6.690 1.108 1.00 25.10 N ATOM 174 CA ASP A 14 7.854 -5.990 2.356 1.00 30.35 C ATOM 175 C ASP A 14 6.409 -6.220 2.787 1.00 11.22 C ATOM 176 O ASP A 14 5.529 -6.439 1.953 1.00 10.42 O ATOM 177 CB ASP A 14 8.121 -4.493 2.198 1.00 4.33 C ATOM 178 CG ASP A 14 8.827 -3.900 3.402 1.00 60.21 C ATOM 179 OD1 ASP A 14 8.173 -3.745 4.455 1.00 74.22 O ATOM 180 OD2 ASP A 14 10.031 -3.592 3.291 1.00 53.13 O ATOM 0 H ASP A 14 7.371 -6.695 0.440 1.00 25.10 H new ATOM 0 HA ASP A 14 8.512 -6.389 3.128 1.00 30.35 H new ATOM 0 HB2 ASP A 14 8.727 -4.327 1.307 1.00 4.33 H new ATOM 0 HB3 ASP A 14 7.176 -3.973 2.042 1.00 4.33 H new ATOM 184 N ILE A 15 6.171 -6.169 4.092 1.00 51.04 N ATOM 185 CA ILE A 15 4.833 -6.372 4.634 1.00 10.34 C ATOM 186 C ILE A 15 4.284 -5.083 5.237 1.00 72.24 C ATOM 187 O ILE A 15 4.829 -4.557 6.209 1.00 32.31 O ATOM 188 CB ILE A 15 4.821 -7.475 5.708 1.00 44.12 C ATOM 189 CG1 ILE A 15 5.402 -8.772 5.145 1.00 73.31 C ATOM 190 CG2 ILE A 15 3.407 -7.699 6.221 1.00 23.33 C ATOM 191 CD1 ILE A 15 5.773 -9.781 6.209 1.00 41.12 C ATOM 0 H ILE A 15 6.888 -5.989 4.795 1.00 51.04 H new ATOM 0 HA ILE A 15 4.199 -6.681 3.803 1.00 10.34 H new ATOM 0 HB ILE A 15 5.443 -7.155 6.544 1.00 44.12 H new ATOM 0 HG12 ILE A 15 4.676 -9.221 4.467 1.00 73.31 H new ATOM 0 HG13 ILE A 15 6.287 -8.537 4.554 1.00 73.31 H new ATOM 0 HG21 ILE A 15 3.415 -8.482 6.980 1.00 23.33 H new ATOM 0 HG22 ILE A 15 3.027 -6.775 6.657 1.00 23.33 H new ATOM 0 HG23 ILE A 15 2.764 -8.001 5.395 1.00 23.33 H new ATOM 0 HD11 ILE A 15 6.178 -10.676 5.736 1.00 41.12 H new ATOM 0 HD12 ILE A 15 6.522 -9.350 6.873 1.00 41.12 H new ATOM 0 HD13 ILE A 15 4.886 -10.045 6.785 1.00 41.12 H new ATOM 202 N LEU A 16 3.200 -4.579 4.657 1.00 74.03 N ATOM 203 CA LEU A 16 2.575 -3.352 5.139 1.00 60.50 C ATOM 204 C LEU A 16 1.150 -3.619 5.616 1.00 11.34 C ATOM 205 O LEU A 16 0.352 -4.234 4.909 1.00 64.33 O ATOM 206 CB LEU A 16 2.565 -2.295 4.035 1.00 10.24 C ATOM 207 CG LEU A 16 3.723 -2.353 3.038 1.00 33.23 C ATOM 208 CD1 LEU A 16 3.283 -3.025 1.746 1.00 63.32 C ATOM 209 CD2 LEU A 16 4.259 -0.957 2.759 1.00 41.20 C ATOM 0 H LEU A 16 2.736 -5.001 3.853 1.00 74.03 H new ATOM 0 HA LEU A 16 3.158 -2.982 5.982 1.00 60.50 H new ATOM 0 HB2 LEU A 16 1.631 -2.386 3.481 1.00 10.24 H new ATOM 0 HB3 LEU A 16 2.564 -1.310 4.503 1.00 10.24 H new ATOM 0 HG LEU A 16 4.525 -2.947 3.478 1.00 33.23 H new ATOM 0 HD11 LEU A 16 4.120 -3.057 1.049 1.00 63.32 H new ATOM 0 HD12 LEU A 16 2.950 -4.041 1.959 1.00 63.32 H new ATOM 0 HD13 LEU A 16 2.463 -2.460 1.303 1.00 63.32 H new ATOM 0 HD21 LEU A 16 5.082 -1.019 2.047 1.00 41.20 H new ATOM 0 HD22 LEU A 16 3.464 -0.339 2.341 1.00 41.20 H new ATOM 0 HD23 LEU A 16 4.615 -0.512 3.688 1.00 41.20 H new ATOM 220 N THR A 17 0.837 -3.150 6.820 1.00 75.24 N ATOM 221 CA THR A 17 -0.490 -3.336 7.392 1.00 34.50 C ATOM 222 C THR A 17 -1.575 -3.119 6.343 1.00 63.41 C ATOM 223 O THR A 17 -1.615 -2.081 5.682 1.00 11.14 O ATOM 224 CB THR A 17 -0.733 -2.377 8.572 1.00 3.23 C ATOM 225 OG1 THR A 17 0.287 -2.550 9.562 1.00 25.34 O ATOM 226 CG2 THR A 17 -2.099 -2.621 9.195 1.00 42.24 C ATOM 0 H THR A 17 1.486 -2.638 7.418 1.00 75.24 H new ATOM 0 HA THR A 17 -0.538 -4.363 7.754 1.00 34.50 H new ATOM 0 HB THR A 17 -0.701 -1.355 8.194 1.00 3.23 H new ATOM 0 HG1 THR A 17 0.126 -1.935 10.308 1.00 25.34 H new ATOM 0 HG21 THR A 17 -2.248 -1.932 10.026 1.00 42.24 H new ATOM 0 HG22 THR A 17 -2.874 -2.459 8.446 1.00 42.24 H new ATOM 0 HG23 THR A 17 -2.155 -3.647 9.559 1.00 42.24 H new ATOM 234 N LEU A 18 -2.455 -4.104 6.197 1.00 43.33 N ATOM 235 CA LEU A 18 -3.543 -4.021 5.229 1.00 12.21 C ATOM 236 C LEU A 18 -4.580 -2.990 5.662 1.00 62.45 C ATOM 237 O LEU A 18 -5.709 -3.339 6.012 1.00 2.54 O ATOM 238 CB LEU A 18 -4.206 -5.388 5.058 1.00 51.21 C ATOM 239 CG LEU A 18 -5.132 -5.539 3.851 1.00 13.15 C ATOM 240 CD1 LEU A 18 -6.586 -5.399 4.272 1.00 65.34 C ATOM 241 CD2 LEU A 18 -4.784 -4.515 2.780 1.00 71.12 C ATOM 0 H LEU A 18 -2.436 -4.969 6.737 1.00 43.33 H new ATOM 0 HA LEU A 18 -3.123 -3.707 4.274 1.00 12.21 H new ATOM 0 HB2 LEU A 18 -3.423 -6.143 4.986 1.00 51.21 H new ATOM 0 HB3 LEU A 18 -4.778 -5.607 5.959 1.00 51.21 H new ATOM 0 HG LEU A 18 -4.991 -6.535 3.432 1.00 13.15 H new ATOM 0 HD11 LEU A 18 -7.230 -5.509 3.399 1.00 65.34 H new ATOM 0 HD12 LEU A 18 -6.829 -6.171 5.002 1.00 65.34 H new ATOM 0 HD13 LEU A 18 -6.743 -4.416 4.717 1.00 65.34 H new ATOM 0 HD21 LEU A 18 -5.453 -4.637 1.928 1.00 71.12 H new ATOM 0 HD22 LEU A 18 -4.895 -3.510 3.187 1.00 71.12 H new ATOM 0 HD23 LEU A 18 -3.754 -4.663 2.456 1.00 71.12 H new ATOM 252 N LEU A 19 -4.192 -1.720 5.638 1.00 51.00 N ATOM 253 CA LEU A 19 -5.089 -0.637 6.026 1.00 74.22 C ATOM 254 C LEU A 19 -6.383 -0.686 5.220 1.00 50.11 C ATOM 255 O LEU A 19 -6.588 -1.590 4.412 1.00 13.31 O ATOM 256 CB LEU A 19 -4.403 0.715 5.830 1.00 42.54 C ATOM 257 CG LEU A 19 -3.666 1.277 7.047 1.00 12.13 C ATOM 258 CD1 LEU A 19 -2.786 0.209 7.678 1.00 12.44 C ATOM 259 CD2 LEU A 19 -2.836 2.491 6.654 1.00 32.33 C ATOM 0 H LEU A 19 -3.261 -1.414 5.354 1.00 51.00 H new ATOM 0 HA LEU A 19 -5.335 -0.763 7.080 1.00 74.22 H new ATOM 0 HB2 LEU A 19 -3.691 0.623 5.010 1.00 42.54 H new ATOM 0 HB3 LEU A 19 -5.155 1.440 5.519 1.00 42.54 H new ATOM 0 HG LEU A 19 -4.406 1.591 7.783 1.00 12.13 H new ATOM 0 HD11 LEU A 19 -2.270 0.627 8.542 1.00 12.44 H new ATOM 0 HD12 LEU A 19 -3.404 -0.631 7.996 1.00 12.44 H new ATOM 0 HD13 LEU A 19 -2.053 -0.136 6.949 1.00 12.44 H new ATOM 0 HD21 LEU A 19 -2.319 2.878 7.532 1.00 32.33 H new ATOM 0 HD22 LEU A 19 -2.104 2.203 5.899 1.00 32.33 H new ATOM 0 HD23 LEU A 19 -3.490 3.263 6.249 1.00 32.33 H new ATOM 270 N ASN A 20 -7.251 0.294 5.445 1.00 5.42 N ATOM 271 CA ASN A 20 -8.525 0.364 4.738 1.00 1.21 C ATOM 272 C ASN A 20 -8.342 0.052 3.255 1.00 50.15 C ATOM 273 O ASN A 20 -7.852 0.883 2.491 1.00 12.40 O ATOM 274 CB ASN A 20 -9.149 1.751 4.905 1.00 11.40 C ATOM 275 CG ASN A 20 -10.509 1.696 5.573 1.00 64.10 C ATOM 276 OD1 ASN A 20 -10.608 1.613 6.798 1.00 30.42 O ATOM 277 ND2 ASN A 20 -11.565 1.742 4.771 1.00 3.45 N ATOM 0 H ASN A 20 -7.096 1.051 6.111 1.00 5.42 H new ATOM 0 HA ASN A 20 -9.193 -0.382 5.169 1.00 1.21 H new ATOM 0 HB2 ASN A 20 -8.482 2.378 5.497 1.00 11.40 H new ATOM 0 HB3 ASN A 20 -9.246 2.223 3.927 1.00 11.40 H new ATOM 0 HD21 ASN A 20 -12.506 1.709 5.164 1.00 3.45 H new ATOM 0 HD22 ASN A 20 -11.436 1.811 3.762 1.00 3.45 H new ATOM 283 N SER A 21 -8.740 -1.152 2.856 1.00 63.11 N ATOM 284 CA SER A 21 -8.618 -1.576 1.467 1.00 30.33 C ATOM 285 C SER A 21 -9.938 -1.392 0.724 1.00 51.40 C ATOM 286 O SER A 21 -10.166 -2.001 -0.321 1.00 31.13 O ATOM 287 CB SER A 21 -8.179 -3.040 1.395 1.00 12.30 C ATOM 288 OG SER A 21 -8.948 -3.846 2.271 1.00 54.00 O ATOM 0 H SER A 21 -9.150 -1.851 3.476 1.00 63.11 H new ATOM 0 HA SER A 21 -7.862 -0.953 0.988 1.00 30.33 H new ATOM 0 HB2 SER A 21 -8.284 -3.405 0.373 1.00 12.30 H new ATOM 0 HB3 SER A 21 -7.123 -3.120 1.655 1.00 12.30 H new ATOM 0 HG SER A 21 -8.888 -4.783 1.991 1.00 54.00 H new ATOM 293 N THR A 22 -10.805 -0.546 1.272 1.00 55.12 N ATOM 294 CA THR A 22 -12.102 -0.282 0.664 1.00 5.42 C ATOM 295 C THR A 22 -11.961 0.022 -0.823 1.00 30.45 C ATOM 296 O THR A 22 -12.665 -0.553 -1.652 1.00 5.32 O ATOM 297 CB THR A 22 -12.815 0.899 1.352 1.00 33.21 C ATOM 298 OG1 THR A 22 -14.007 1.238 0.633 1.00 33.00 O ATOM 299 CG2 THR A 22 -11.900 2.112 1.428 1.00 42.15 C ATOM 0 H THR A 22 -10.632 -0.032 2.136 1.00 55.12 H new ATOM 0 HA THR A 22 -12.700 -1.184 0.793 1.00 5.42 H new ATOM 0 HB THR A 22 -13.077 0.597 2.366 1.00 33.21 H new ATOM 0 HG1 THR A 22 -14.455 1.988 1.077 1.00 33.00 H new ATOM 0 HG21 THR A 22 -12.424 2.933 1.917 1.00 42.15 H new ATOM 0 HG22 THR A 22 -11.007 1.859 2.000 1.00 42.15 H new ATOM 0 HG23 THR A 22 -11.612 2.414 0.421 1.00 42.15 H new ATOM 307 N ASN A 23 -11.046 0.927 -1.153 1.00 3.24 N ATOM 308 CA ASN A 23 -10.813 1.306 -2.543 1.00 41.21 C ATOM 309 C ASN A 23 -10.433 0.090 -3.381 1.00 12.23 C ATOM 310 O ASN A 23 -9.373 -0.507 -3.187 1.00 4.54 O ATOM 311 CB ASN A 23 -9.709 2.363 -2.626 1.00 62.42 C ATOM 312 CG ASN A 23 -10.256 3.749 -2.906 1.00 24.55 C ATOM 313 OD1 ASN A 23 -10.500 4.530 -1.987 1.00 40.12 O ATOM 314 ND2 ASN A 23 -10.452 4.061 -4.182 1.00 20.24 N ATOM 0 H ASN A 23 -10.454 1.412 -0.478 1.00 3.24 H new ATOM 0 HA ASN A 23 -11.738 1.724 -2.941 1.00 41.21 H new ATOM 0 HB2 ASN A 23 -9.152 2.377 -1.689 1.00 62.42 H new ATOM 0 HB3 ASN A 23 -9.005 2.088 -3.411 1.00 62.42 H new ATOM 0 HD21 ASN A 23 -10.819 4.979 -4.432 1.00 20.24 H new ATOM 0 HD22 ASN A 23 -10.236 3.382 -4.912 1.00 20.24 H new ATOM 320 N LYS A 24 -11.305 -0.273 -4.316 1.00 30.51 N ATOM 321 CA LYS A 24 -11.062 -1.417 -5.187 1.00 14.01 C ATOM 322 C LYS A 24 -9.886 -1.149 -6.122 1.00 63.22 C ATOM 323 O LYS A 24 -9.223 -2.078 -6.583 1.00 1.13 O ATOM 324 CB LYS A 24 -12.315 -1.737 -6.006 1.00 1.21 C ATOM 325 CG LYS A 24 -12.333 -1.075 -7.372 1.00 21.03 C ATOM 326 CD LYS A 24 -13.517 -1.542 -8.202 1.00 11.13 C ATOM 327 CE LYS A 24 -13.131 -1.749 -9.659 1.00 11.10 C ATOM 328 NZ LYS A 24 -12.050 -2.762 -9.807 1.00 15.43 N ATOM 0 H LYS A 24 -12.187 0.209 -4.490 1.00 30.51 H new ATOM 0 HA LYS A 24 -10.817 -2.274 -4.559 1.00 14.01 H new ATOM 0 HB2 LYS A 24 -12.390 -2.817 -6.134 1.00 1.21 H new ATOM 0 HB3 LYS A 24 -13.195 -1.421 -5.446 1.00 1.21 H new ATOM 0 HG2 LYS A 24 -12.376 0.008 -7.252 1.00 21.03 H new ATOM 0 HG3 LYS A 24 -11.406 -1.301 -7.899 1.00 21.03 H new ATOM 0 HD2 LYS A 24 -13.905 -2.474 -7.792 1.00 11.13 H new ATOM 0 HD3 LYS A 24 -14.320 -0.807 -8.138 1.00 11.13 H new ATOM 0 HE2 LYS A 24 -14.007 -2.067 -10.225 1.00 11.10 H new ATOM 0 HE3 LYS A 24 -12.802 -0.802 -10.086 1.00 11.10 H new ATOM 0 HZ1 LYS A 24 -12.170 -3.268 -10.707 1.00 15.43 H new ATOM 0 HZ2 LYS A 24 -11.125 -2.287 -9.797 1.00 15.43 H new ATOM 0 HZ3 LYS A 24 -12.099 -3.440 -9.020 1.00 15.43 H new ATOM 338 N ASP A 25 -9.633 0.126 -6.394 1.00 12.43 N ATOM 339 CA ASP A 25 -8.535 0.517 -7.271 1.00 34.22 C ATOM 340 C ASP A 25 -7.317 0.946 -6.460 1.00 73.50 C ATOM 341 O ASP A 25 -6.267 1.266 -7.018 1.00 0.13 O ATOM 342 CB ASP A 25 -8.973 1.653 -8.197 1.00 11.31 C ATOM 343 CG ASP A 25 -10.205 1.300 -9.005 1.00 24.43 C ATOM 344 OD1 ASP A 25 -11.327 1.473 -8.483 1.00 51.04 O ATOM 345 OD2 ASP A 25 -10.050 0.848 -10.159 1.00 15.13 O ATOM 0 H ASP A 25 -10.173 0.907 -6.020 1.00 12.43 H new ATOM 0 HA ASP A 25 -8.260 -0.348 -7.875 1.00 34.22 H new ATOM 0 HB2 ASP A 25 -9.175 2.544 -7.603 1.00 11.31 H new ATOM 0 HB3 ASP A 25 -8.156 1.900 -8.875 1.00 11.31 H new ATOM 349 N TRP A 26 -7.464 0.950 -5.140 1.00 1.15 N ATOM 350 CA TRP A 26 -6.375 1.342 -4.251 1.00 31.53 C ATOM 351 C TRP A 26 -6.559 0.734 -2.864 1.00 21.54 C ATOM 352 O TRP A 26 -7.627 0.854 -2.262 1.00 15.31 O ATOM 353 CB TRP A 26 -6.296 2.865 -4.148 1.00 5.11 C ATOM 354 CG TRP A 26 -5.857 3.525 -5.419 1.00 52.23 C ATOM 355 CD1 TRP A 26 -6.614 3.744 -6.534 1.00 0.10 C ATOM 356 CD2 TRP A 26 -4.556 4.049 -5.707 1.00 53.51 C ATOM 357 NE1 TRP A 26 -5.863 4.373 -7.497 1.00 52.53 N ATOM 358 CE2 TRP A 26 -4.597 4.573 -7.014 1.00 64.32 C ATOM 359 CE3 TRP A 26 -3.361 4.131 -4.986 1.00 1.11 C ATOM 360 CZ2 TRP A 26 -3.489 5.166 -7.613 1.00 22.31 C ATOM 361 CZ3 TRP A 26 -2.262 4.719 -5.583 1.00 63.05 C ATOM 362 CH2 TRP A 26 -2.332 5.231 -6.886 1.00 70.14 C ATOM 0 H TRP A 26 -8.325 0.687 -4.661 1.00 1.15 H new ATOM 0 HA TRP A 26 -5.443 0.965 -4.671 1.00 31.53 H new ATOM 0 HB2 TRP A 26 -7.274 3.254 -3.864 1.00 5.11 H new ATOM 0 HB3 TRP A 26 -5.603 3.132 -3.350 1.00 5.11 H new ATOM 0 HD1 TRP A 26 -7.651 3.464 -6.643 1.00 0.10 H new ATOM 0 HE1 TRP A 26 -6.194 4.647 -8.422 1.00 52.53 H new ATOM 0 HE3 TRP A 26 -3.298 3.742 -3.981 1.00 1.11 H new ATOM 0 HZ2 TRP A 26 -3.541 5.561 -8.617 1.00 22.31 H new ATOM 0 HZ3 TRP A 26 -1.333 4.785 -5.036 1.00 63.05 H new ATOM 0 HH2 TRP A 26 -1.456 5.685 -7.324 1.00 70.14 H new ATOM 372 N TRP A 27 -5.516 0.082 -2.365 1.00 0.34 N ATOM 373 CA TRP A 27 -5.563 -0.543 -1.049 1.00 23.05 C ATOM 374 C TRP A 27 -4.658 0.188 -0.065 1.00 12.13 C ATOM 375 O TRP A 27 -3.432 0.102 -0.150 1.00 23.33 O ATOM 376 CB TRP A 27 -5.152 -2.012 -1.146 1.00 72.45 C ATOM 377 CG TRP A 27 -6.310 -2.943 -1.341 1.00 63.23 C ATOM 378 CD1 TRP A 27 -7.561 -2.613 -1.775 1.00 24.44 C ATOM 379 CD2 TRP A 27 -6.324 -4.355 -1.106 1.00 71.35 C ATOM 380 NE1 TRP A 27 -8.353 -3.735 -1.825 1.00 71.24 N ATOM 381 CE2 TRP A 27 -7.617 -4.817 -1.420 1.00 72.22 C ATOM 382 CE3 TRP A 27 -5.369 -5.276 -0.663 1.00 2.10 C ATOM 383 CZ2 TRP A 27 -7.977 -6.157 -1.303 1.00 73.41 C ATOM 384 CZ3 TRP A 27 -5.729 -6.605 -0.548 1.00 61.05 C ATOM 385 CH2 TRP A 27 -7.023 -7.036 -0.867 1.00 61.31 C ATOM 0 H TRP A 27 -4.627 -0.028 -2.852 1.00 0.34 H new ATOM 0 HA TRP A 27 -6.588 -0.483 -0.682 1.00 23.05 H new ATOM 0 HB2 TRP A 27 -4.455 -2.132 -1.975 1.00 72.45 H new ATOM 0 HB3 TRP A 27 -4.619 -2.293 -0.238 1.00 72.45 H new ATOM 0 HD1 TRP A 27 -7.882 -1.616 -2.040 1.00 24.44 H new ATOM 0 HE1 TRP A 27 -9.330 -3.758 -2.116 1.00 71.24 H new ATOM 0 HE3 TRP A 27 -4.368 -4.954 -0.415 1.00 2.10 H new ATOM 0 HZ2 TRP A 27 -8.974 -6.491 -1.548 1.00 73.41 H new ATOM 0 HZ3 TRP A 27 -5.000 -7.324 -0.206 1.00 61.05 H new ATOM 0 HH2 TRP A 27 -7.273 -8.082 -0.767 1.00 61.31 H new ATOM 395 N LYS A 28 -5.267 0.909 0.870 1.00 42.00 N ATOM 396 CA LYS A 28 -4.516 1.655 1.872 1.00 53.14 C ATOM 397 C LYS A 28 -3.623 0.725 2.687 1.00 13.25 C ATOM 398 O LYS A 28 -4.052 -0.347 3.114 1.00 31.10 O ATOM 399 CB LYS A 28 -5.473 2.405 2.803 1.00 13.31 C ATOM 400 CG LYS A 28 -4.836 3.599 3.494 1.00 25.20 C ATOM 401 CD LYS A 28 -5.661 4.058 4.686 1.00 22.34 C ATOM 402 CE LYS A 28 -5.328 5.489 5.076 1.00 52.20 C ATOM 403 NZ LYS A 28 -6.437 6.129 5.836 1.00 1.32 N ATOM 0 H LYS A 28 -6.280 0.992 0.955 1.00 42.00 H new ATOM 0 HA LYS A 28 -3.883 2.375 1.353 1.00 53.14 H new ATOM 0 HB2 LYS A 28 -6.334 2.745 2.228 1.00 13.31 H new ATOM 0 HB3 LYS A 28 -5.847 1.715 3.559 1.00 13.31 H new ATOM 0 HG2 LYS A 28 -3.831 3.336 3.825 1.00 25.20 H new ATOM 0 HG3 LYS A 28 -4.733 4.419 2.784 1.00 25.20 H new ATOM 0 HD2 LYS A 28 -6.722 3.982 4.446 1.00 22.34 H new ATOM 0 HD3 LYS A 28 -5.478 3.397 5.533 1.00 22.34 H new ATOM 0 HE2 LYS A 28 -4.421 5.499 5.680 1.00 52.20 H new ATOM 0 HE3 LYS A 28 -5.120 6.071 4.178 1.00 52.20 H new ATOM 0 HZ1 LYS A 28 -6.171 7.104 6.083 1.00 1.32 H new ATOM 0 HZ2 LYS A 28 -7.296 6.143 5.251 1.00 1.32 H new ATOM 0 HZ3 LYS A 28 -6.619 5.588 6.706 1.00 1.32 H new ATOM 413 N VAL A 29 -2.379 1.142 2.900 1.00 2.53 N ATOM 414 CA VAL A 29 -1.426 0.348 3.665 1.00 2.01 C ATOM 415 C VAL A 29 -0.489 1.240 4.473 1.00 22.13 C ATOM 416 O VAL A 29 -0.029 2.273 3.987 1.00 43.33 O ATOM 417 CB VAL A 29 -0.587 -0.561 2.746 1.00 52.54 C ATOM 418 CG1 VAL A 29 -1.488 -1.473 1.929 1.00 63.44 C ATOM 419 CG2 VAL A 29 0.302 0.276 1.839 1.00 1.32 C ATOM 0 H VAL A 29 -2.008 2.026 2.553 1.00 2.53 H new ATOM 0 HA VAL A 29 -2.007 -0.274 4.346 1.00 2.01 H new ATOM 0 HB VAL A 29 0.053 -1.187 3.368 1.00 52.54 H new ATOM 0 HG11 VAL A 29 -0.877 -2.107 1.286 1.00 63.44 H new ATOM 0 HG12 VAL A 29 -2.078 -2.097 2.600 1.00 63.44 H new ATOM 0 HG13 VAL A 29 -2.156 -0.869 1.314 1.00 63.44 H new ATOM 0 HG21 VAL A 29 0.888 -0.381 1.196 1.00 1.32 H new ATOM 0 HG22 VAL A 29 -0.318 0.928 1.223 1.00 1.32 H new ATOM 0 HG23 VAL A 29 0.974 0.882 2.447 1.00 1.32 H new ATOM 429 N GLU A 30 -0.212 0.833 5.707 1.00 40.54 N ATOM 430 CA GLU A 30 0.670 1.596 6.582 1.00 52.44 C ATOM 431 C GLU A 30 2.083 1.022 6.566 1.00 53.45 C ATOM 432 O GLU A 30 2.277 -0.176 6.356 1.00 21.12 O ATOM 433 CB GLU A 30 0.127 1.602 8.013 1.00 22.34 C ATOM 434 CG GLU A 30 1.083 2.208 9.025 1.00 75.32 C ATOM 435 CD GLU A 30 0.739 1.828 10.452 1.00 40.13 C ATOM 436 OE1 GLU A 30 -0.465 1.792 10.784 1.00 35.32 O ATOM 437 OE2 GLU A 30 1.674 1.567 11.238 1.00 13.02 O ATOM 0 H GLU A 30 -0.585 -0.020 6.123 1.00 40.54 H new ATOM 0 HA GLU A 30 0.708 2.620 6.211 1.00 52.44 H new ATOM 0 HB2 GLU A 30 -0.811 2.157 8.034 1.00 22.34 H new ATOM 0 HB3 GLU A 30 -0.102 0.578 8.310 1.00 22.34 H new ATOM 0 HG2 GLU A 30 2.099 1.882 8.801 1.00 75.32 H new ATOM 0 HG3 GLU A 30 1.068 3.294 8.928 1.00 75.32 H new ATOM 442 N VAL A 31 3.069 1.886 6.788 1.00 74.45 N ATOM 443 CA VAL A 31 4.466 1.465 6.800 1.00 71.32 C ATOM 444 C VAL A 31 5.067 1.593 8.195 1.00 44.11 C ATOM 445 O VAL A 31 6.144 2.160 8.368 1.00 53.41 O ATOM 446 CB VAL A 31 5.310 2.292 5.812 1.00 22.53 C ATOM 447 CG1 VAL A 31 6.698 1.690 5.661 1.00 41.34 C ATOM 448 CG2 VAL A 31 4.611 2.384 4.463 1.00 71.04 C ATOM 0 H VAL A 31 2.927 2.881 6.962 1.00 74.45 H new ATOM 0 HA VAL A 31 4.483 0.419 6.495 1.00 71.32 H new ATOM 0 HB VAL A 31 5.419 3.301 6.210 1.00 22.53 H new ATOM 0 HG11 VAL A 31 7.280 2.288 4.959 1.00 41.34 H new ATOM 0 HG12 VAL A 31 7.198 1.680 6.630 1.00 41.34 H new ATOM 0 HG13 VAL A 31 6.613 0.670 5.286 1.00 41.34 H new ATOM 0 HG21 VAL A 31 5.221 2.972 3.777 1.00 71.04 H new ATOM 0 HG22 VAL A 31 4.471 1.382 4.057 1.00 71.04 H new ATOM 0 HG23 VAL A 31 3.640 2.864 4.588 1.00 71.04 H new ATOM 458 N ASN A 32 4.361 1.061 9.189 1.00 32.14 N ATOM 459 CA ASN A 32 4.825 1.116 10.570 1.00 41.51 C ATOM 460 C ASN A 32 4.633 2.513 11.153 1.00 64.14 C ATOM 461 O ASN A 32 4.103 2.671 12.253 1.00 61.32 O ATOM 462 CB ASN A 32 6.299 0.717 10.652 1.00 35.31 C ATOM 463 CG ASN A 32 6.619 -0.491 9.790 1.00 14.45 C ATOM 464 OD1 ASN A 32 6.466 -1.634 10.221 1.00 11.51 O ATOM 465 ND2 ASN A 32 7.068 -0.240 8.565 1.00 70.32 N ATOM 0 H ASN A 32 3.466 0.588 9.063 1.00 32.14 H new ATOM 0 HA ASN A 32 4.232 0.412 11.154 1.00 41.51 H new ATOM 0 HB2 ASN A 32 6.918 1.558 10.339 1.00 35.31 H new ATOM 0 HB3 ASN A 32 6.557 0.499 11.688 1.00 35.31 H new ATOM 0 HD21 ASN A 32 7.301 -1.011 7.939 1.00 70.32 H new ATOM 0 HD22 ASN A 32 7.179 0.724 8.250 1.00 70.32 H new ATOM 471 N ASP A 33 5.066 3.524 10.408 1.00 53.13 N ATOM 472 CA ASP A 33 4.941 4.908 10.850 1.00 12.21 C ATOM 473 C ASP A 33 4.136 5.728 9.846 1.00 62.11 C ATOM 474 O ASP A 33 3.229 6.472 10.222 1.00 74.53 O ATOM 475 CB ASP A 33 6.324 5.532 11.042 1.00 61.43 C ATOM 476 CG ASP A 33 6.759 5.538 12.495 1.00 2.31 C ATOM 477 OD1 ASP A 33 7.194 4.477 12.989 1.00 51.43 O ATOM 478 OD2 ASP A 33 6.664 6.605 13.136 1.00 43.04 O ATOM 0 H ASP A 33 5.507 3.411 9.495 1.00 53.13 H new ATOM 0 HA ASP A 33 4.413 4.912 11.804 1.00 12.21 H new ATOM 0 HB2 ASP A 33 7.054 4.980 10.449 1.00 61.43 H new ATOM 0 HB3 ASP A 33 6.314 6.554 10.664 1.00 61.43 H new ATOM 482 N ARG A 34 4.473 5.587 8.568 1.00 0.10 N ATOM 483 CA ARG A 34 3.783 6.316 7.511 1.00 61.21 C ATOM 484 C ARG A 34 2.604 5.509 6.975 1.00 61.34 C ATOM 485 O ARG A 34 2.291 4.434 7.488 1.00 12.45 O ATOM 486 CB ARG A 34 4.751 6.643 6.372 1.00 24.22 C ATOM 487 CG ARG A 34 6.143 7.025 6.847 1.00 62.01 C ATOM 488 CD ARG A 34 7.209 6.145 6.214 1.00 24.21 C ATOM 489 NE ARG A 34 8.398 6.907 5.843 1.00 34.31 N ATOM 490 CZ ARG A 34 9.587 6.354 5.628 1.00 74.12 C ATOM 491 NH1 ARG A 34 9.744 5.043 5.747 1.00 63.31 N ATOM 492 NH2 ARG A 34 10.622 7.114 5.294 1.00 20.32 N ATOM 0 H ARG A 34 5.220 4.975 8.240 1.00 0.10 H new ATOM 0 HA ARG A 34 3.403 7.246 7.934 1.00 61.21 H new ATOM 0 HB2 ARG A 34 4.826 5.780 5.711 1.00 24.22 H new ATOM 0 HB3 ARG A 34 4.340 7.462 5.781 1.00 24.22 H new ATOM 0 HG2 ARG A 34 6.339 8.069 6.602 1.00 62.01 H new ATOM 0 HG3 ARG A 34 6.195 6.938 7.932 1.00 62.01 H new ATOM 0 HD2 ARG A 34 7.488 5.355 6.911 1.00 24.21 H new ATOM 0 HD3 ARG A 34 6.799 5.659 5.329 1.00 24.21 H new ATOM 0 HE ARG A 34 8.311 7.918 5.743 1.00 34.31 H new ATOM 0 HH11 ARG A 34 8.951 4.456 6.004 1.00 63.31 H new ATOM 0 HH12 ARG A 34 10.658 4.622 5.581 1.00 63.31 H new ATOM 0 HH21 ARG A 34 10.505 8.123 5.202 1.00 20.32 H new ATOM 0 HH22 ARG A 34 11.535 6.689 5.129 1.00 20.32 H new ATOM 503 N GLN A 35 1.954 6.035 5.942 1.00 15.33 N ATOM 504 CA GLN A 35 0.809 5.364 5.337 1.00 41.52 C ATOM 505 C GLN A 35 0.323 6.120 4.105 1.00 70.23 C ATOM 506 O GLN A 35 0.893 7.142 3.726 1.00 53.14 O ATOM 507 CB GLN A 35 -0.327 5.236 6.353 1.00 75.43 C ATOM 508 CG GLN A 35 -0.078 5.997 7.645 1.00 53.22 C ATOM 509 CD GLN A 35 -1.363 6.402 8.340 1.00 53.31 C ATOM 510 OE1 GLN A 35 -1.694 5.885 9.407 1.00 20.20 O ATOM 511 NE2 GLN A 35 -2.094 7.333 7.738 1.00 73.30 N ATOM 0 H GLN A 35 2.201 6.924 5.506 1.00 15.33 H new ATOM 0 HA GLN A 35 1.125 4.368 5.027 1.00 41.52 H new ATOM 0 HB2 GLN A 35 -1.250 5.598 5.900 1.00 75.43 H new ATOM 0 HB3 GLN A 35 -0.478 4.182 6.586 1.00 75.43 H new ATOM 0 HG2 GLN A 35 0.515 5.378 8.318 1.00 53.22 H new ATOM 0 HG3 GLN A 35 0.511 6.889 7.429 1.00 53.22 H new ATOM 0 HE21 GLN A 35 -1.781 7.734 6.854 1.00 73.30 H new ATOM 0 HE22 GLN A 35 -2.968 7.647 8.160 1.00 73.30 H new ATOM 518 N GLY A 36 -0.736 5.610 3.484 1.00 12.23 N ATOM 519 CA GLY A 36 -1.281 6.250 2.300 1.00 51.54 C ATOM 520 C GLY A 36 -1.959 5.265 1.370 1.00 22.54 C ATOM 521 O GLY A 36 -1.829 4.052 1.535 1.00 45.42 O ATOM 0 H GLY A 36 -1.226 4.766 3.779 1.00 12.23 H new ATOM 0 HA2 GLY A 36 -1.998 7.014 2.601 1.00 51.54 H new ATOM 0 HA3 GLY A 36 -0.480 6.759 1.764 1.00 51.54 H new ATOM 525 N PHE A 37 -2.687 5.787 0.387 1.00 61.11 N ATOM 526 CA PHE A 37 -3.391 4.945 -0.573 1.00 24.24 C ATOM 527 C PHE A 37 -2.445 4.462 -1.669 1.00 4.35 C ATOM 528 O PHE A 37 -1.797 5.264 -2.342 1.00 12.01 O ATOM 529 CB PHE A 37 -4.562 5.711 -1.193 1.00 14.40 C ATOM 530 CG PHE A 37 -5.726 5.883 -0.261 1.00 10.23 C ATOM 531 CD1 PHE A 37 -5.737 6.904 0.675 1.00 12.21 C ATOM 532 CD2 PHE A 37 -6.811 5.023 -0.322 1.00 62.31 C ATOM 533 CE1 PHE A 37 -6.808 7.066 1.533 1.00 42.34 C ATOM 534 CE2 PHE A 37 -7.885 5.180 0.534 1.00 45.13 C ATOM 535 CZ PHE A 37 -7.883 6.202 1.464 1.00 34.33 C ATOM 0 H PHE A 37 -2.804 6.789 0.235 1.00 61.11 H new ATOM 0 HA PHE A 37 -3.777 4.075 -0.042 1.00 24.24 H new ATOM 0 HB2 PHE A 37 -4.215 6.693 -1.513 1.00 14.40 H new ATOM 0 HB3 PHE A 37 -4.897 5.185 -2.087 1.00 14.40 H new ATOM 0 HD1 PHE A 37 -4.898 7.582 0.735 1.00 12.21 H new ATOM 0 HD2 PHE A 37 -6.818 4.222 -1.046 1.00 62.31 H new ATOM 0 HE1 PHE A 37 -6.804 7.868 2.257 1.00 42.34 H new ATOM 0 HE2 PHE A 37 -8.725 4.504 0.476 1.00 45.13 H new ATOM 0 HZ PHE A 37 -8.720 6.325 2.135 1.00 34.33 H new ATOM 544 N VAL A 38 -2.373 3.147 -1.843 1.00 74.12 N ATOM 545 CA VAL A 38 -1.508 2.556 -2.857 1.00 41.22 C ATOM 546 C VAL A 38 -2.291 1.616 -3.767 1.00 35.04 C ATOM 547 O VAL A 38 -3.345 1.095 -3.404 1.00 61.15 O ATOM 548 CB VAL A 38 -0.341 1.780 -2.217 1.00 2.24 C ATOM 549 CG1 VAL A 38 0.788 2.728 -1.842 1.00 61.33 C ATOM 550 CG2 VAL A 38 -0.822 1.002 -1.002 1.00 50.51 C ATOM 0 H VAL A 38 -2.903 2.470 -1.295 1.00 74.12 H new ATOM 0 HA VAL A 38 -1.106 3.379 -3.449 1.00 41.22 H new ATOM 0 HB VAL A 38 0.043 1.067 -2.947 1.00 2.24 H new ATOM 0 HG11 VAL A 38 1.604 2.162 -1.391 1.00 61.33 H new ATOM 0 HG12 VAL A 38 1.149 3.235 -2.736 1.00 61.33 H new ATOM 0 HG13 VAL A 38 0.421 3.466 -1.129 1.00 61.33 H new ATOM 0 HG21 VAL A 38 0.015 0.460 -0.562 1.00 50.51 H new ATOM 0 HG22 VAL A 38 -1.233 1.694 -0.266 1.00 50.51 H new ATOM 0 HG23 VAL A 38 -1.594 0.294 -1.305 1.00 50.51 H new ATOM 560 N PRO A 39 -1.764 1.391 -4.979 1.00 14.45 N ATOM 561 CA PRO A 39 -2.396 0.511 -5.968 1.00 50.23 C ATOM 562 C PRO A 39 -2.332 -0.957 -5.560 1.00 4.41 C ATOM 563 O PRO A 39 -1.251 -1.515 -5.379 1.00 32.25 O ATOM 564 CB PRO A 39 -1.571 0.751 -7.235 1.00 70.21 C ATOM 565 CG PRO A 39 -0.241 1.205 -6.741 1.00 22.14 C ATOM 566 CD PRO A 39 -0.509 1.979 -5.480 1.00 33.33 C ATOM 0 HA PRO A 39 -3.458 0.727 -6.088 1.00 50.23 H new ATOM 0 HB2 PRO A 39 -1.483 -0.159 -7.828 1.00 70.21 H new ATOM 0 HB3 PRO A 39 -2.035 1.504 -7.873 1.00 70.21 H new ATOM 0 HG2 PRO A 39 0.413 0.355 -6.546 1.00 22.14 H new ATOM 0 HG3 PRO A 39 0.259 1.828 -7.483 1.00 22.14 H new ATOM 0 HD2 PRO A 39 0.302 1.868 -4.760 1.00 33.33 H new ATOM 0 HD3 PRO A 39 -0.616 3.046 -5.678 1.00 33.33 H new ATOM 571 N ALA A 40 -3.499 -1.577 -5.417 1.00 22.13 N ATOM 572 CA ALA A 40 -3.577 -2.981 -5.034 1.00 53.33 C ATOM 573 C ALA A 40 -2.765 -3.855 -5.985 1.00 30.22 C ATOM 574 O ALA A 40 -2.433 -4.996 -5.664 1.00 14.00 O ATOM 575 CB ALA A 40 -5.027 -3.440 -5.000 1.00 54.32 C ATOM 0 H ALA A 40 -4.404 -1.128 -5.561 1.00 22.13 H new ATOM 0 HA ALA A 40 -3.152 -3.084 -4.035 1.00 53.33 H new ATOM 0 HB1 ALA A 40 -5.069 -4.491 -4.712 1.00 54.32 H new ATOM 0 HB2 ALA A 40 -5.581 -2.843 -4.276 1.00 54.32 H new ATOM 0 HB3 ALA A 40 -5.471 -3.316 -5.988 1.00 54.32 H new ATOM 581 N ALA A 41 -2.450 -3.312 -7.156 1.00 15.23 N ATOM 582 CA ALA A 41 -1.675 -4.042 -8.153 1.00 64.13 C ATOM 583 C ALA A 41 -0.229 -4.216 -7.705 1.00 11.14 C ATOM 584 O ALA A 41 0.468 -5.122 -8.162 1.00 34.55 O ATOM 585 CB ALA A 41 -1.732 -3.326 -9.494 1.00 23.54 C ATOM 0 H ALA A 41 -2.719 -2.369 -7.438 1.00 15.23 H new ATOM 0 HA ALA A 41 -2.115 -5.033 -8.264 1.00 64.13 H new ATOM 0 HB1 ALA A 41 -1.149 -3.882 -10.228 1.00 23.54 H new ATOM 0 HB2 ALA A 41 -2.768 -3.260 -9.827 1.00 23.54 H new ATOM 0 HB3 ALA A 41 -1.320 -2.322 -9.388 1.00 23.54 H new ATOM 591 N TYR A 42 0.218 -3.343 -6.809 1.00 24.22 N ATOM 592 CA TYR A 42 1.583 -3.398 -6.301 1.00 61.41 C ATOM 593 C TYR A 42 1.657 -4.230 -5.025 1.00 43.12 C ATOM 594 O TYR A 42 2.742 -4.549 -4.539 1.00 72.13 O ATOM 595 CB TYR A 42 2.109 -1.987 -6.035 1.00 24.24 C ATOM 596 CG TYR A 42 2.420 -1.209 -7.294 1.00 22.52 C ATOM 597 CD1 TYR A 42 1.496 -1.127 -8.329 1.00 74.01 C ATOM 598 CD2 TYR A 42 3.638 -0.558 -7.449 1.00 64.04 C ATOM 599 CE1 TYR A 42 1.777 -0.419 -9.481 1.00 2.34 C ATOM 600 CE2 TYR A 42 3.926 0.154 -8.596 1.00 24.51 C ATOM 601 CZ TYR A 42 2.992 0.221 -9.610 1.00 53.53 C ATOM 602 OH TYR A 42 3.277 0.929 -10.756 1.00 64.42 O ATOM 0 H TYR A 42 -0.346 -2.588 -6.419 1.00 24.22 H new ATOM 0 HA TYR A 42 2.206 -3.873 -7.059 1.00 61.41 H new ATOM 0 HB2 TYR A 42 1.371 -1.437 -5.451 1.00 24.24 H new ATOM 0 HB3 TYR A 42 3.011 -2.053 -5.427 1.00 24.24 H new ATOM 0 HD1 TYR A 42 0.543 -1.625 -8.231 1.00 74.01 H new ATOM 0 HD2 TYR A 42 4.372 -0.610 -6.658 1.00 64.04 H new ATOM 0 HE1 TYR A 42 1.049 -0.367 -10.277 1.00 2.34 H new ATOM 0 HE2 TYR A 42 4.877 0.656 -8.699 1.00 24.51 H new ATOM 0 HH TYR A 42 3.629 0.320 -11.438 1.00 64.42 H new ATOM 611 N VAL A 43 0.493 -4.578 -4.485 1.00 71.41 N ATOM 612 CA VAL A 43 0.423 -5.375 -3.266 1.00 50.34 C ATOM 613 C VAL A 43 -0.514 -6.565 -3.439 1.00 1.53 C ATOM 614 O VAL A 43 -1.226 -6.669 -4.438 1.00 32.43 O ATOM 615 CB VAL A 43 -0.055 -4.529 -2.070 1.00 51.32 C ATOM 616 CG1 VAL A 43 1.012 -3.522 -1.669 1.00 3.24 C ATOM 617 CG2 VAL A 43 -1.364 -3.829 -2.402 1.00 13.42 C ATOM 0 H VAL A 43 -0.415 -4.320 -4.873 1.00 71.41 H new ATOM 0 HA VAL A 43 1.432 -5.737 -3.067 1.00 50.34 H new ATOM 0 HB VAL A 43 -0.230 -5.193 -1.224 1.00 51.32 H new ATOM 0 HG11 VAL A 43 0.657 -2.933 -0.823 1.00 3.24 H new ATOM 0 HG12 VAL A 43 1.923 -4.050 -1.387 1.00 3.24 H new ATOM 0 HG13 VAL A 43 1.222 -2.860 -2.509 1.00 3.24 H new ATOM 0 HG21 VAL A 43 -1.687 -3.236 -1.546 1.00 13.42 H new ATOM 0 HG22 VAL A 43 -1.219 -3.175 -3.262 1.00 13.42 H new ATOM 0 HG23 VAL A 43 -2.125 -4.573 -2.636 1.00 13.42 H new ATOM 627 N LYS A 44 -0.510 -7.461 -2.459 1.00 65.34 N ATOM 628 CA LYS A 44 -1.362 -8.644 -2.499 1.00 31.42 C ATOM 629 C LYS A 44 -1.481 -9.278 -1.117 1.00 44.31 C ATOM 630 O LYS A 44 -0.483 -9.467 -0.421 1.00 71.01 O ATOM 631 CB LYS A 44 -0.803 -9.665 -3.493 1.00 33.45 C ATOM 632 CG LYS A 44 -1.273 -11.086 -3.235 1.00 60.23 C ATOM 633 CD LYS A 44 -0.184 -11.924 -2.584 1.00 35.22 C ATOM 634 CE LYS A 44 1.078 -11.952 -3.432 1.00 13.34 C ATOM 635 NZ LYS A 44 1.478 -13.341 -3.788 1.00 62.42 N ATOM 0 H LYS A 44 0.074 -7.391 -1.626 1.00 65.34 H new ATOM 0 HA LYS A 44 -2.356 -8.334 -2.823 1.00 31.42 H new ATOM 0 HB2 LYS A 44 -1.093 -9.373 -4.502 1.00 33.45 H new ATOM 0 HB3 LYS A 44 0.286 -9.639 -3.454 1.00 33.45 H new ATOM 0 HG2 LYS A 44 -2.153 -11.068 -2.592 1.00 60.23 H new ATOM 0 HG3 LYS A 44 -1.575 -11.547 -4.176 1.00 60.23 H new ATOM 0 HD2 LYS A 44 0.047 -11.520 -1.598 1.00 35.22 H new ATOM 0 HD3 LYS A 44 -0.546 -12.941 -2.435 1.00 35.22 H new ATOM 0 HE2 LYS A 44 0.916 -11.376 -4.343 1.00 13.34 H new ATOM 0 HE3 LYS A 44 1.890 -11.468 -2.890 1.00 13.34 H new ATOM 0 HZ1 LYS A 44 2.342 -13.316 -4.366 1.00 62.42 H new ATOM 0 HZ2 LYS A 44 1.658 -13.884 -2.919 1.00 62.42 H new ATOM 0 HZ3 LYS A 44 0.714 -13.795 -4.328 1.00 62.42 H new ATOM 645 N LYS A 45 -2.708 -9.604 -0.725 1.00 74.53 N ATOM 646 CA LYS A 45 -2.957 -10.219 0.573 1.00 65.33 C ATOM 647 C LYS A 45 -2.149 -11.504 0.732 1.00 45.43 C ATOM 648 O LYS A 45 -1.909 -12.222 -0.239 1.00 52.11 O ATOM 649 CB LYS A 45 -4.449 -10.519 0.740 1.00 23.52 C ATOM 650 CG LYS A 45 -5.139 -9.626 1.757 1.00 53.21 C ATOM 651 CD LYS A 45 -6.501 -10.174 2.147 1.00 72.54 C ATOM 652 CE LYS A 45 -7.623 -9.450 1.419 1.00 33.33 C ATOM 653 NZ LYS A 45 -8.932 -9.619 2.109 1.00 11.52 N ATOM 0 H LYS A 45 -3.545 -9.453 -1.288 1.00 74.53 H new ATOM 0 HA LYS A 45 -2.644 -9.516 1.345 1.00 65.33 H new ATOM 0 HB2 LYS A 45 -4.944 -10.407 -0.225 1.00 23.52 H new ATOM 0 HB3 LYS A 45 -4.570 -11.560 1.041 1.00 23.52 H new ATOM 0 HG2 LYS A 45 -4.514 -9.535 2.646 1.00 53.21 H new ATOM 0 HG3 LYS A 45 -5.254 -8.624 1.344 1.00 53.21 H new ATOM 0 HD2 LYS A 45 -6.545 -11.239 1.918 1.00 72.54 H new ATOM 0 HD3 LYS A 45 -6.640 -10.073 3.223 1.00 72.54 H new ATOM 0 HE2 LYS A 45 -7.384 -8.389 1.348 1.00 33.33 H new ATOM 0 HE3 LYS A 45 -7.698 -9.829 0.400 1.00 33.33 H new ATOM 0 HZ1 LYS A 45 -9.671 -9.111 1.582 1.00 11.52 H new ATOM 0 HZ2 LYS A 45 -9.172 -10.630 2.155 1.00 11.52 H new ATOM 0 HZ3 LYS A 45 -8.868 -9.235 3.073 1.00 11.52 H new ATOM 663 N LEU A 46 -1.735 -11.788 1.961 1.00 41.25 N ATOM 664 CA LEU A 46 -0.955 -12.987 2.248 1.00 21.52 C ATOM 665 C LEU A 46 -1.741 -13.950 3.132 1.00 0.13 C ATOM 666 O LEU A 46 -2.899 -13.698 3.465 1.00 1.54 O ATOM 667 CB LEU A 46 0.362 -12.613 2.929 1.00 10.34 C ATOM 668 CG LEU A 46 1.256 -11.632 2.168 1.00 1.15 C ATOM 669 CD1 LEU A 46 2.316 -11.050 3.090 1.00 45.21 C ATOM 670 CD2 LEU A 46 1.903 -12.317 0.973 1.00 2.44 C ATOM 0 H LEU A 46 -1.926 -11.205 2.776 1.00 41.25 H new ATOM 0 HA LEU A 46 -0.740 -13.484 1.302 1.00 21.52 H new ATOM 0 HB2 LEU A 46 0.134 -12.184 3.905 1.00 10.34 H new ATOM 0 HB3 LEU A 46 0.929 -13.527 3.107 1.00 10.34 H new ATOM 0 HG LEU A 46 0.636 -10.815 1.801 1.00 1.15 H new ATOM 0 HD11 LEU A 46 2.942 -10.355 2.531 1.00 45.21 H new ATOM 0 HD12 LEU A 46 1.833 -10.523 3.913 1.00 45.21 H new ATOM 0 HD13 LEU A 46 2.934 -11.855 3.488 1.00 45.21 H new ATOM 0 HD21 LEU A 46 2.535 -11.604 0.443 1.00 2.44 H new ATOM 0 HD22 LEU A 46 2.510 -13.154 1.318 1.00 2.44 H new ATOM 0 HD23 LEU A 46 1.128 -12.684 0.300 1.00 2.44 H new ATOM 681 N ASP A 47 -1.105 -15.052 3.510 1.00 74.42 N ATOM 682 CA ASP A 47 -1.742 -16.052 4.359 1.00 4.24 C ATOM 683 C ASP A 47 -1.130 -16.051 5.756 1.00 12.32 C ATOM 684 O ASP A 47 -0.054 -16.608 5.973 1.00 3.22 O ATOM 685 CB ASP A 47 -1.613 -17.441 3.732 1.00 61.21 C ATOM 686 CG ASP A 47 -2.897 -17.899 3.068 1.00 74.12 C ATOM 687 OD1 ASP A 47 -3.942 -17.921 3.750 1.00 72.42 O ATOM 688 OD2 ASP A 47 -2.855 -18.236 1.866 1.00 31.41 O ATOM 0 H ASP A 47 -0.147 -15.276 3.242 1.00 74.42 H new ATOM 0 HA ASP A 47 -2.798 -15.798 4.446 1.00 4.24 H new ATOM 0 HB2 ASP A 47 -0.810 -17.430 2.995 1.00 61.21 H new ATOM 0 HB3 ASP A 47 -1.330 -18.159 4.502 1.00 61.21 H new ATOM 692 N SER A 48 -1.821 -15.419 6.699 1.00 30.24 N ATOM 693 CA SER A 48 -1.343 -15.341 8.074 1.00 13.34 C ATOM 694 C SER A 48 -1.744 -16.585 8.860 1.00 65.14 C ATOM 695 O SER A 48 -0.903 -17.414 9.205 1.00 53.20 O ATOM 696 CB SER A 48 -1.897 -14.090 8.759 1.00 15.11 C ATOM 697 OG SER A 48 -3.314 -14.110 8.789 1.00 51.24 O ATOM 0 H SER A 48 -2.714 -14.954 6.536 1.00 30.24 H new ATOM 0 HA SER A 48 -0.255 -15.282 8.051 1.00 13.34 H new ATOM 0 HB2 SER A 48 -1.509 -14.027 9.776 1.00 15.11 H new ATOM 0 HB3 SER A 48 -1.554 -13.200 8.231 1.00 15.11 H new ATOM 0 HG SER A 48 -3.658 -13.210 8.608 1.00 51.24 H new ATOM 702 N GLY A 49 -3.037 -16.707 9.143 1.00 23.55 N ATOM 703 CA GLY A 49 -3.529 -17.852 9.887 1.00 24.23 C ATOM 704 C GLY A 49 -4.547 -17.464 10.942 1.00 32.25 C ATOM 705 O GLY A 49 -5.740 -17.731 10.794 1.00 33.51 O ATOM 0 H GLY A 49 -3.753 -16.033 8.870 1.00 23.55 H new ATOM 0 HA2 GLY A 49 -3.980 -18.564 9.196 1.00 24.23 H new ATOM 0 HA3 GLY A 49 -2.690 -18.359 10.365 1.00 24.23 H new ATOM 709 N THR A 50 -4.076 -16.832 12.012 1.00 12.11 N ATOM 710 CA THR A 50 -4.952 -16.409 13.097 1.00 60.04 C ATOM 711 C THR A 50 -6.046 -15.478 12.589 1.00 42.43 C ATOM 712 O THR A 50 -7.223 -15.659 12.899 1.00 24.22 O ATOM 713 CB THR A 50 -4.163 -15.697 14.212 1.00 13.10 C ATOM 714 OG1 THR A 50 -5.043 -15.337 15.282 1.00 2.52 O ATOM 715 CG2 THR A 50 -3.473 -14.452 13.675 1.00 22.02 C ATOM 0 H THR A 50 -3.092 -16.602 12.150 1.00 12.11 H new ATOM 0 HA THR A 50 -5.408 -17.311 13.505 1.00 60.04 H new ATOM 0 HB THR A 50 -3.402 -16.383 14.584 1.00 13.10 H new ATOM 0 HG1 THR A 50 -4.533 -14.886 15.987 1.00 2.52 H new ATOM 0 HG21 THR A 50 -2.922 -13.966 14.480 1.00 22.02 H new ATOM 0 HG22 THR A 50 -2.782 -14.733 12.880 1.00 22.02 H new ATOM 0 HG23 THR A 50 -4.220 -13.764 13.279 1.00 22.02 H new ATOM 723 N GLY A 51 -5.651 -14.478 11.807 1.00 74.41 N ATOM 724 CA GLY A 51 -6.611 -13.532 11.268 1.00 74.24 C ATOM 725 C GLY A 51 -6.044 -12.131 11.157 1.00 15.35 C ATOM 726 O GLY A 51 -6.734 -11.150 11.435 1.00 52.21 O ATOM 0 H GLY A 51 -4.683 -14.306 11.537 1.00 74.41 H new ATOM 0 HA2 GLY A 51 -6.935 -13.869 10.283 1.00 74.24 H new ATOM 0 HA3 GLY A 51 -7.495 -13.513 11.905 1.00 74.24 H new ATOM 730 N LYS A 52 -4.782 -12.035 10.751 1.00 32.55 N ATOM 731 CA LYS A 52 -4.122 -10.744 10.604 1.00 12.15 C ATOM 732 C LYS A 52 -4.391 -10.148 9.225 1.00 75.51 C ATOM 733 O LYS A 52 -4.600 -10.877 8.256 1.00 34.31 O ATOM 734 CB LYS A 52 -2.614 -10.891 10.822 1.00 51.10 C ATOM 735 CG LYS A 52 -2.245 -11.361 12.218 1.00 1.50 C ATOM 736 CD LYS A 52 -1.943 -10.190 13.139 1.00 62.42 C ATOM 737 CE LYS A 52 -3.192 -9.718 13.868 1.00 62.53 C ATOM 738 NZ LYS A 52 -2.867 -9.104 15.184 1.00 70.15 N ATOM 0 H LYS A 52 -4.196 -12.837 10.518 1.00 32.55 H new ATOM 0 HA LYS A 52 -4.528 -10.069 11.357 1.00 12.15 H new ATOM 0 HB2 LYS A 52 -2.217 -11.597 10.093 1.00 51.10 H new ATOM 0 HB3 LYS A 52 -2.132 -9.932 10.631 1.00 51.10 H new ATOM 0 HG2 LYS A 52 -3.063 -11.950 12.633 1.00 1.50 H new ATOM 0 HG3 LYS A 52 -1.376 -12.017 12.164 1.00 1.50 H new ATOM 0 HD2 LYS A 52 -1.185 -10.483 13.866 1.00 62.42 H new ATOM 0 HD3 LYS A 52 -1.526 -9.367 12.558 1.00 62.42 H new ATOM 0 HE2 LYS A 52 -3.721 -8.993 13.250 1.00 62.53 H new ATOM 0 HE3 LYS A 52 -3.866 -10.562 14.017 1.00 62.53 H new ATOM 0 HZ1 LYS A 52 -3.744 -8.795 15.649 1.00 70.15 H new ATOM 0 HZ2 LYS A 52 -2.385 -9.803 15.784 1.00 70.15 H new ATOM 0 HZ3 LYS A 52 -2.244 -8.283 15.040 1.00 70.15 H new ATOM 748 N GLU A 53 -4.381 -8.822 9.146 1.00 24.24 N ATOM 749 CA GLU A 53 -4.625 -8.130 7.885 1.00 71.35 C ATOM 750 C GLU A 53 -3.338 -7.512 7.348 1.00 12.11 C ATOM 751 O GLU A 53 -3.044 -6.342 7.602 1.00 72.21 O ATOM 752 CB GLU A 53 -5.687 -7.045 8.069 1.00 5.01 C ATOM 753 CG GLU A 53 -6.828 -7.459 8.982 1.00 64.34 C ATOM 754 CD GLU A 53 -6.864 -6.661 10.271 1.00 10.31 C ATOM 755 OE1 GLU A 53 -6.479 -5.473 10.243 1.00 53.54 O ATOM 756 OE2 GLU A 53 -7.277 -7.222 11.307 1.00 72.31 O ATOM 0 H GLU A 53 -4.207 -8.205 9.939 1.00 24.24 H new ATOM 0 HA GLU A 53 -4.987 -8.861 7.162 1.00 71.35 H new ATOM 0 HB2 GLU A 53 -5.214 -6.151 8.475 1.00 5.01 H new ATOM 0 HB3 GLU A 53 -6.093 -6.776 7.094 1.00 5.01 H new ATOM 0 HG2 GLU A 53 -7.774 -7.333 8.455 1.00 64.34 H new ATOM 0 HG3 GLU A 53 -6.733 -8.519 9.218 1.00 64.34 H new ATOM 761 N LEU A 54 -2.573 -8.303 6.604 1.00 21.42 N ATOM 762 CA LEU A 54 -1.317 -7.835 6.029 1.00 11.11 C ATOM 763 C LEU A 54 -1.316 -8.001 4.513 1.00 4.43 C ATOM 764 O LEU A 54 -2.108 -8.763 3.961 1.00 24.31 O ATOM 765 CB LEU A 54 -0.139 -8.598 6.638 1.00 72.21 C ATOM 766 CG LEU A 54 -0.467 -9.959 7.253 1.00 23.33 C ATOM 767 CD1 LEU A 54 -0.778 -10.975 6.165 1.00 25.51 C ATOM 768 CD2 LEU A 54 0.683 -10.443 8.124 1.00 13.52 C ATOM 0 H LEU A 54 -2.801 -9.273 6.385 1.00 21.42 H new ATOM 0 HA LEU A 54 -1.214 -6.775 6.259 1.00 11.11 H new ATOM 0 HB2 LEU A 54 0.613 -8.744 5.863 1.00 72.21 H new ATOM 0 HB3 LEU A 54 0.314 -7.973 7.408 1.00 72.21 H new ATOM 0 HG LEU A 54 -1.350 -9.848 7.882 1.00 23.33 H new ATOM 0 HD11 LEU A 54 -1.009 -11.938 6.621 1.00 25.51 H new ATOM 0 HD12 LEU A 54 -1.634 -10.634 5.583 1.00 25.51 H new ATOM 0 HD13 LEU A 54 0.086 -11.082 5.510 1.00 25.51 H new ATOM 0 HD21 LEU A 54 0.431 -11.413 8.553 1.00 13.52 H new ATOM 0 HD22 LEU A 54 1.584 -10.537 7.518 1.00 13.52 H new ATOM 0 HD23 LEU A 54 0.859 -9.726 8.926 1.00 13.52 H new ATOM 779 N VAL A 55 -0.419 -7.281 3.845 1.00 24.32 N ATOM 780 CA VAL A 55 -0.312 -7.351 2.392 1.00 1.20 C ATOM 781 C VAL A 55 1.121 -7.103 1.934 1.00 62.41 C ATOM 782 O VAL A 55 1.678 -6.027 2.155 1.00 45.21 O ATOM 783 CB VAL A 55 -1.241 -6.328 1.712 1.00 4.45 C ATOM 784 CG1 VAL A 55 -2.601 -6.947 1.426 1.00 52.20 C ATOM 785 CG2 VAL A 55 -1.385 -5.083 2.575 1.00 14.35 C ATOM 0 H VAL A 55 0.243 -6.643 4.287 1.00 24.32 H new ATOM 0 HA VAL A 55 -0.615 -8.357 2.100 1.00 1.20 H new ATOM 0 HB VAL A 55 -0.795 -6.035 0.762 1.00 4.45 H new ATOM 0 HG11 VAL A 55 -3.243 -6.209 0.946 1.00 52.20 H new ATOM 0 HG12 VAL A 55 -2.478 -7.806 0.766 1.00 52.20 H new ATOM 0 HG13 VAL A 55 -3.057 -7.271 2.361 1.00 52.20 H new ATOM 0 HG21 VAL A 55 -2.045 -4.371 2.079 1.00 14.35 H new ATOM 0 HG22 VAL A 55 -1.808 -5.357 3.542 1.00 14.35 H new ATOM 0 HG23 VAL A 55 -0.406 -4.628 2.723 1.00 14.35 H new ATOM 795 N LEU A 56 1.713 -8.106 1.295 1.00 0.22 N ATOM 796 CA LEU A 56 3.082 -7.997 0.804 1.00 23.20 C ATOM 797 C LEU A 56 3.156 -7.070 -0.404 1.00 1.25 C ATOM 798 O LEU A 56 2.189 -6.932 -1.153 1.00 73.10 O ATOM 799 CB LEU A 56 3.622 -9.380 0.434 1.00 53.41 C ATOM 800 CG LEU A 56 5.075 -9.427 -0.040 1.00 12.51 C ATOM 801 CD1 LEU A 56 5.832 -10.539 0.668 1.00 54.24 C ATOM 802 CD2 LEU A 56 5.138 -9.614 -1.549 1.00 5.14 C ATOM 0 H LEU A 56 1.267 -9.003 1.105 1.00 0.22 H new ATOM 0 HA LEU A 56 3.695 -7.574 1.600 1.00 23.20 H new ATOM 0 HB2 LEU A 56 3.523 -10.031 1.302 1.00 53.41 H new ATOM 0 HB3 LEU A 56 2.991 -9.797 -0.351 1.00 53.41 H new ATOM 0 HG LEU A 56 5.549 -8.477 0.209 1.00 12.51 H new ATOM 0 HD11 LEU A 56 6.864 -10.557 0.318 1.00 54.24 H new ATOM 0 HD12 LEU A 56 5.817 -10.362 1.743 1.00 54.24 H new ATOM 0 HD13 LEU A 56 5.359 -11.497 0.451 1.00 54.24 H new ATOM 0 HD21 LEU A 56 6.180 -9.645 -1.869 1.00 5.14 H new ATOM 0 HD22 LEU A 56 4.647 -10.548 -1.821 1.00 5.14 H new ATOM 0 HD23 LEU A 56 4.633 -8.782 -2.040 1.00 5.14 H new ATOM 813 N ALA A 57 4.310 -6.438 -0.590 1.00 72.11 N ATOM 814 CA ALA A 57 4.511 -5.528 -1.710 1.00 0.42 C ATOM 815 C ALA A 57 5.130 -6.251 -2.901 1.00 12.50 C ATOM 816 O ALA A 57 6.304 -6.624 -2.872 1.00 75.43 O ATOM 817 CB ALA A 57 5.386 -4.357 -1.288 1.00 51.44 C ATOM 0 H ALA A 57 5.120 -6.540 0.021 1.00 72.11 H new ATOM 0 HA ALA A 57 3.536 -5.148 -2.016 1.00 0.42 H new ATOM 0 HB1 ALA A 57 5.528 -3.685 -2.135 1.00 51.44 H new ATOM 0 HB2 ALA A 57 4.903 -3.817 -0.473 1.00 51.44 H new ATOM 0 HB3 ALA A 57 6.355 -4.729 -0.953 1.00 51.44 H new ATOM 823 N LEU A 58 4.336 -6.446 -3.947 1.00 10.45 N ATOM 824 CA LEU A 58 4.806 -7.125 -5.149 1.00 54.15 C ATOM 825 C LEU A 58 5.717 -6.216 -5.968 1.00 73.21 C ATOM 826 O LEU A 58 6.679 -6.676 -6.584 1.00 24.22 O ATOM 827 CB LEU A 58 3.619 -7.577 -6.001 1.00 34.30 C ATOM 828 CG LEU A 58 2.331 -7.896 -5.242 1.00 4.22 C ATOM 829 CD1 LEU A 58 1.262 -8.408 -6.195 1.00 61.31 C ATOM 830 CD2 LEU A 58 2.597 -8.912 -4.141 1.00 34.10 C ATOM 0 H LEU A 58 3.363 -6.143 -3.987 1.00 10.45 H new ATOM 0 HA LEU A 58 5.378 -8.000 -4.841 1.00 54.15 H new ATOM 0 HB2 LEU A 58 3.403 -6.797 -6.731 1.00 34.30 H new ATOM 0 HB3 LEU A 58 3.916 -8.464 -6.561 1.00 34.30 H new ATOM 0 HG LEU A 58 1.968 -6.978 -4.781 1.00 4.22 H new ATOM 0 HD11 LEU A 58 0.353 -8.630 -5.636 1.00 61.31 H new ATOM 0 HD12 LEU A 58 1.050 -7.647 -6.946 1.00 61.31 H new ATOM 0 HD13 LEU A 58 1.616 -9.314 -6.686 1.00 61.31 H new ATOM 0 HD21 LEU A 58 1.669 -9.127 -3.612 1.00 34.10 H new ATOM 0 HD22 LEU A 58 2.985 -9.831 -4.580 1.00 34.10 H new ATOM 0 HD23 LEU A 58 3.328 -8.507 -3.441 1.00 34.10 H new ATOM 841 N TYR A 59 5.410 -4.925 -5.967 1.00 3.54 N ATOM 842 CA TYR A 59 6.200 -3.950 -6.710 1.00 70.31 C ATOM 843 C TYR A 59 6.642 -2.803 -5.806 1.00 50.22 C ATOM 844 O TYR A 59 6.315 -2.773 -4.619 1.00 11.32 O ATOM 845 CB TYR A 59 5.396 -3.402 -7.891 1.00 65.33 C ATOM 846 CG TYR A 59 4.628 -4.464 -8.644 1.00 32.43 C ATOM 847 CD1 TYR A 59 5.201 -5.700 -8.920 1.00 34.11 C ATOM 848 CD2 TYR A 59 3.330 -4.232 -9.082 1.00 32.32 C ATOM 849 CE1 TYR A 59 4.505 -6.673 -9.609 1.00 20.45 C ATOM 850 CE2 TYR A 59 2.625 -5.200 -9.771 1.00 21.50 C ATOM 851 CZ TYR A 59 3.216 -6.419 -10.033 1.00 52.35 C ATOM 852 OH TYR A 59 2.518 -7.385 -10.719 1.00 72.23 O ATOM 0 H TYR A 59 4.619 -4.528 -5.460 1.00 3.54 H new ATOM 0 HA TYR A 59 7.089 -4.455 -7.088 1.00 70.31 H new ATOM 0 HB2 TYR A 59 4.697 -2.650 -7.526 1.00 65.33 H new ATOM 0 HB3 TYR A 59 6.075 -2.899 -8.580 1.00 65.33 H new ATOM 0 HD1 TYR A 59 6.209 -5.903 -8.589 1.00 34.11 H new ATOM 0 HD2 TYR A 59 2.864 -3.279 -8.880 1.00 32.32 H new ATOM 0 HE1 TYR A 59 4.966 -7.628 -9.815 1.00 20.45 H new ATOM 0 HE2 TYR A 59 1.616 -5.004 -10.103 1.00 21.50 H new ATOM 0 HH TYR A 59 1.626 -7.047 -10.944 1.00 72.23 H new ATOM 861 N ASP A 60 7.386 -1.862 -6.376 1.00 63.03 N ATOM 862 CA ASP A 60 7.871 -0.711 -5.623 1.00 35.00 C ATOM 863 C ASP A 60 7.013 0.520 -5.898 1.00 15.53 C ATOM 864 O ASP A 60 6.890 0.960 -7.042 1.00 61.14 O ATOM 865 CB ASP A 60 9.330 -0.421 -5.979 1.00 53.02 C ATOM 866 CG ASP A 60 9.578 -0.445 -7.474 1.00 31.52 C ATOM 867 OD1 ASP A 60 9.420 0.613 -8.118 1.00 13.01 O ATOM 868 OD2 ASP A 60 9.928 -1.523 -8.000 1.00 3.34 O ATOM 0 H ASP A 60 7.666 -1.873 -7.357 1.00 63.03 H new ATOM 0 HA ASP A 60 7.804 -0.948 -4.561 1.00 35.00 H new ATOM 0 HB2 ASP A 60 9.610 0.555 -5.583 1.00 53.02 H new ATOM 0 HB3 ASP A 60 9.972 -1.157 -5.496 1.00 53.02 H new ATOM 872 N TYR A 61 6.424 1.071 -4.844 1.00 65.25 N ATOM 873 CA TYR A 61 5.574 2.249 -4.972 1.00 12.33 C ATOM 874 C TYR A 61 6.108 3.401 -4.126 1.00 13.30 C ATOM 875 O TYR A 61 7.001 3.215 -3.300 1.00 62.04 O ATOM 876 CB TYR A 61 4.140 1.918 -4.555 1.00 42.00 C ATOM 877 CG TYR A 61 3.172 3.063 -4.753 1.00 10.04 C ATOM 878 CD1 TYR A 61 3.051 4.069 -3.803 1.00 52.24 C ATOM 879 CD2 TYR A 61 2.379 3.139 -5.892 1.00 54.01 C ATOM 880 CE1 TYR A 61 2.169 5.116 -3.979 1.00 25.22 C ATOM 881 CE2 TYR A 61 1.494 4.183 -6.077 1.00 73.23 C ATOM 882 CZ TYR A 61 1.392 5.168 -5.118 1.00 43.54 C ATOM 883 OH TYR A 61 0.511 6.212 -5.298 1.00 71.32 O ATOM 0 H TYR A 61 6.519 0.721 -3.891 1.00 65.25 H new ATOM 0 HA TYR A 61 5.579 2.557 -6.018 1.00 12.33 H new ATOM 0 HB2 TYR A 61 3.794 1.057 -5.127 1.00 42.00 H new ATOM 0 HB3 TYR A 61 4.134 1.626 -3.505 1.00 42.00 H new ATOM 0 HD1 TYR A 61 3.658 4.031 -2.911 1.00 52.24 H new ATOM 0 HD2 TYR A 61 2.456 2.369 -6.645 1.00 54.01 H new ATOM 0 HE1 TYR A 61 2.088 5.890 -3.230 1.00 25.22 H new ATOM 0 HE2 TYR A 61 0.885 4.227 -6.968 1.00 73.23 H new ATOM 0 HH TYR A 61 -0.239 5.915 -5.854 1.00 71.32 H new ATOM 892 N GLN A 62 5.555 4.590 -4.340 1.00 11.03 N ATOM 893 CA GLN A 62 5.976 5.772 -3.598 1.00 44.42 C ATOM 894 C GLN A 62 4.808 6.732 -3.396 1.00 45.43 C ATOM 895 O GLN A 62 4.238 7.242 -4.359 1.00 44.20 O ATOM 896 CB GLN A 62 7.114 6.484 -4.332 1.00 22.24 C ATOM 897 CG GLN A 62 7.246 7.954 -3.970 1.00 2.22 C ATOM 898 CD GLN A 62 7.727 8.164 -2.547 1.00 21.24 C ATOM 899 OE1 GLN A 62 8.925 8.302 -2.299 1.00 1.11 O ATOM 900 NE2 GLN A 62 6.793 8.188 -1.604 1.00 4.41 N ATOM 0 H GLN A 62 4.815 4.760 -5.021 1.00 11.03 H new ATOM 0 HA GLN A 62 6.331 5.448 -2.620 1.00 44.42 H new ATOM 0 HB2 GLN A 62 8.053 5.978 -4.108 1.00 22.24 H new ATOM 0 HB3 GLN A 62 6.953 6.396 -5.406 1.00 22.24 H new ATOM 0 HG2 GLN A 62 7.942 8.433 -4.659 1.00 2.22 H new ATOM 0 HG3 GLN A 62 6.281 8.444 -4.099 1.00 2.22 H new ATOM 0 HE21 GLN A 62 5.812 8.069 -1.855 1.00 4.41 H new ATOM 0 HE22 GLN A 62 7.057 8.325 -0.628 1.00 4.41 H new ATOM 907 N GLU A 63 4.456 6.972 -2.136 1.00 53.21 N ATOM 908 CA GLU A 63 3.355 7.870 -1.808 1.00 74.33 C ATOM 909 C GLU A 63 3.839 9.035 -0.949 1.00 35.11 C ATOM 910 O GLU A 63 4.485 8.835 0.079 1.00 51.14 O ATOM 911 CB GLU A 63 2.248 7.109 -1.076 1.00 24.10 C ATOM 912 CG GLU A 63 0.848 7.503 -1.512 1.00 25.13 C ATOM 913 CD GLU A 63 0.790 8.901 -2.097 1.00 42.03 C ATOM 914 OE1 GLU A 63 0.582 9.859 -1.322 1.00 33.21 O ATOM 915 OE2 GLU A 63 0.954 9.038 -3.327 1.00 62.31 O ATOM 0 H GLU A 63 4.917 6.557 -1.326 1.00 53.21 H new ATOM 0 HA GLU A 63 2.957 8.270 -2.741 1.00 74.33 H new ATOM 0 HB2 GLU A 63 2.383 6.040 -1.241 1.00 24.10 H new ATOM 0 HB3 GLU A 63 2.348 7.281 -0.004 1.00 24.10 H new ATOM 0 HG2 GLU A 63 0.488 6.788 -2.252 1.00 25.13 H new ATOM 0 HG3 GLU A 63 0.175 7.443 -0.657 1.00 25.13 H new ATOM 920 N SER A 64 3.524 10.252 -1.382 1.00 71.04 N ATOM 921 CA SER A 64 3.930 11.450 -0.656 1.00 64.03 C ATOM 922 C SER A 64 2.721 12.149 -0.041 1.00 35.44 C ATOM 923 O SER A 64 2.155 13.068 -0.632 1.00 72.12 O ATOM 924 CB SER A 64 4.670 12.410 -1.589 1.00 42.13 C ATOM 925 OG SER A 64 5.659 13.143 -0.886 1.00 21.41 O ATOM 0 H SER A 64 2.989 10.434 -2.231 1.00 71.04 H new ATOM 0 HA SER A 64 4.600 11.148 0.149 1.00 64.03 H new ATOM 0 HB2 SER A 64 5.136 11.848 -2.399 1.00 42.13 H new ATOM 0 HB3 SER A 64 3.959 13.098 -2.046 1.00 42.13 H new ATOM 0 HG SER A 64 6.119 13.748 -1.505 1.00 21.41 H new ATOM 930 N GLY A 65 2.331 11.706 1.151 1.00 32.23 N ATOM 931 CA GLY A 65 1.192 12.299 1.825 1.00 53.34 C ATOM 932 C GLY A 65 -0.093 11.535 1.576 1.00 3.30 C ATOM 933 O GLY A 65 -0.746 11.723 0.550 1.00 20.02 O ATOM 0 H GLY A 65 2.784 10.947 1.661 1.00 32.23 H new ATOM 0 HA2 GLY A 65 1.387 12.336 2.897 1.00 53.34 H new ATOM 0 HA3 GLY A 65 1.070 13.328 1.488 1.00 53.34 H new ATOM 937 N ASP A 66 -0.456 10.669 2.516 1.00 3.32 N ATOM 938 CA ASP A 66 -1.671 9.873 2.392 1.00 72.32 C ATOM 939 C ASP A 66 -2.783 10.676 1.724 1.00 52.15 C ATOM 940 O ASP A 66 -3.388 11.550 2.344 1.00 31.24 O ATOM 941 CB ASP A 66 -2.131 9.389 3.769 1.00 2.11 C ATOM 942 CG ASP A 66 -3.563 8.889 3.759 1.00 14.43 C ATOM 943 OD1 ASP A 66 -3.929 8.156 2.817 1.00 72.50 O ATOM 944 OD2 ASP A 66 -4.316 9.233 4.693 1.00 25.45 O ATOM 0 H ASP A 66 0.073 10.501 3.371 1.00 3.32 H new ATOM 0 HA ASP A 66 -1.447 9.009 1.767 1.00 72.32 H new ATOM 0 HB2 ASP A 66 -1.473 8.589 4.108 1.00 2.11 H new ATOM 0 HB3 ASP A 66 -2.039 10.204 4.487 1.00 2.11 H new ATOM 948 N ASN A 67 -3.044 10.374 0.457 1.00 63.21 N ATOM 949 CA ASN A 67 -4.081 11.069 -0.297 1.00 63.12 C ATOM 950 C ASN A 67 -5.111 10.084 -0.842 1.00 54.11 C ATOM 951 O ASN A 67 -4.818 8.903 -1.025 1.00 51.15 O ATOM 952 CB ASN A 67 -3.460 11.864 -1.446 1.00 35.13 C ATOM 953 CG ASN A 67 -4.247 13.117 -1.776 1.00 1.51 C ATOM 954 OD1 ASN A 67 -4.554 13.383 -2.937 1.00 4.23 O ATOM 955 ND2 ASN A 67 -4.579 13.894 -0.751 1.00 52.32 N ATOM 0 H ASN A 67 -2.552 9.652 -0.070 1.00 63.21 H new ATOM 0 HA ASN A 67 -4.587 11.758 0.380 1.00 63.12 H new ATOM 0 HB2 ASN A 67 -2.439 12.139 -1.183 1.00 35.13 H new ATOM 0 HB3 ASN A 67 -3.402 11.231 -2.332 1.00 35.13 H new ATOM 0 HD21 ASN A 67 -5.110 14.750 -0.911 1.00 52.32 H new ATOM 0 HD22 ASN A 67 -4.303 13.634 0.196 1.00 52.32 H new ATOM 961 N ALA A 68 -6.316 10.580 -1.101 1.00 34.54 N ATOM 962 CA ALA A 68 -7.387 9.744 -1.629 1.00 3.12 C ATOM 963 C ALA A 68 -7.151 9.411 -3.098 1.00 1.23 C ATOM 964 O ALA A 68 -6.706 10.246 -3.886 1.00 44.21 O ATOM 965 CB ALA A 68 -8.732 10.435 -1.453 1.00 52.33 C ATOM 0 H ALA A 68 -6.575 11.556 -0.954 1.00 34.54 H new ATOM 0 HA ALA A 68 -7.394 8.809 -1.068 1.00 3.12 H new ATOM 0 HB1 ALA A 68 -9.523 9.799 -1.852 1.00 52.33 H new ATOM 0 HB2 ALA A 68 -8.912 10.616 -0.393 1.00 52.33 H new ATOM 0 HB3 ALA A 68 -8.726 11.385 -1.988 1.00 52.33 H new ATOM 971 N PRO A 69 -7.454 8.160 -3.479 1.00 2.44 N ATOM 972 CA PRO A 69 -7.283 7.688 -4.856 1.00 0.40 C ATOM 973 C PRO A 69 -8.280 8.327 -5.816 1.00 61.33 C ATOM 974 O PRO A 69 -9.291 7.721 -6.170 1.00 71.32 O ATOM 975 CB PRO A 69 -7.533 6.182 -4.748 1.00 13.23 C ATOM 976 CG PRO A 69 -8.403 6.028 -3.549 1.00 63.33 C ATOM 977 CD PRO A 69 -7.989 7.113 -2.593 1.00 33.51 C ATOM 0 HA PRO A 69 -6.302 7.943 -5.256 1.00 0.40 H new ATOM 0 HB2 PRO A 69 -8.021 5.796 -5.643 1.00 13.23 H new ATOM 0 HB3 PRO A 69 -6.599 5.633 -4.632 1.00 13.23 H new ATOM 0 HG2 PRO A 69 -9.455 6.124 -3.816 1.00 63.33 H new ATOM 0 HG3 PRO A 69 -8.277 5.043 -3.099 1.00 63.33 H new ATOM 0 HD2 PRO A 69 -8.833 7.475 -2.006 1.00 33.51 H new ATOM 0 HD3 PRO A 69 -7.237 6.761 -1.887 1.00 33.51 H new ATOM 982 N SER A 70 -7.988 9.554 -6.236 1.00 64.10 N ATOM 983 CA SER A 70 -8.862 10.277 -7.153 1.00 64.30 C ATOM 984 C SER A 70 -8.492 9.980 -8.603 1.00 33.41 C ATOM 985 O SER A 70 -9.142 10.458 -9.532 1.00 64.01 O ATOM 986 CB SER A 70 -8.780 11.781 -6.891 1.00 1.00 C ATOM 987 OG SER A 70 -9.811 12.204 -6.016 1.00 23.22 O ATOM 0 H SER A 70 -7.153 10.068 -5.956 1.00 64.10 H new ATOM 0 HA SER A 70 -9.885 9.942 -6.981 1.00 64.30 H new ATOM 0 HB2 SER A 70 -7.809 12.026 -6.459 1.00 1.00 H new ATOM 0 HB3 SER A 70 -8.855 12.322 -7.834 1.00 1.00 H new ATOM 0 HG SER A 70 -9.735 13.169 -5.863 1.00 23.22 H new ATOM 992 N TYR A 71 -7.441 9.188 -8.788 1.00 12.42 N ATOM 993 CA TYR A 71 -6.981 8.829 -10.124 1.00 62.14 C ATOM 994 C TYR A 71 -6.729 7.328 -10.228 1.00 32.11 C ATOM 995 O TYR A 71 -6.772 6.609 -9.230 1.00 63.44 O ATOM 996 CB TYR A 71 -5.704 9.597 -10.470 1.00 1.21 C ATOM 997 CG TYR A 71 -4.674 9.589 -9.364 1.00 73.54 C ATOM 998 CD1 TYR A 71 -4.228 8.394 -8.812 1.00 34.42 C ATOM 999 CD2 TYR A 71 -4.145 10.775 -8.871 1.00 11.24 C ATOM 1000 CE1 TYR A 71 -3.287 8.381 -7.800 1.00 21.24 C ATOM 1001 CE2 TYR A 71 -3.203 10.773 -7.861 1.00 73.54 C ATOM 1002 CZ TYR A 71 -2.777 9.573 -7.329 1.00 4.11 C ATOM 1003 OH TYR A 71 -1.839 9.565 -6.323 1.00 73.35 O ATOM 0 H TYR A 71 -6.892 8.783 -8.030 1.00 12.42 H new ATOM 0 HA TYR A 71 -7.763 9.098 -10.834 1.00 62.14 H new ATOM 0 HB2 TYR A 71 -5.263 9.166 -11.369 1.00 1.21 H new ATOM 0 HB3 TYR A 71 -5.963 10.629 -10.706 1.00 1.21 H new ATOM 0 HD1 TYR A 71 -4.624 7.459 -9.180 1.00 34.42 H new ATOM 0 HD2 TYR A 71 -4.476 11.716 -9.285 1.00 11.24 H new ATOM 0 HE1 TYR A 71 -2.953 7.444 -7.381 1.00 21.24 H new ATOM 0 HE2 TYR A 71 -2.802 11.705 -7.490 1.00 73.54 H new ATOM 0 HH TYR A 71 -1.582 10.486 -6.108 1.00 73.35 H new ATOM 1012 N SER A 72 -6.465 6.862 -11.444 1.00 31.22 N ATOM 1013 CA SER A 72 -6.208 5.446 -11.682 1.00 2.42 C ATOM 1014 C SER A 72 -4.827 5.050 -11.169 1.00 44.10 C ATOM 1015 O SER A 72 -3.912 5.869 -11.079 1.00 11.20 O ATOM 1016 CB SER A 72 -6.321 5.129 -13.174 1.00 73.51 C ATOM 1017 OG SER A 72 -5.044 5.104 -13.788 1.00 73.13 O ATOM 0 H SER A 72 -6.423 7.444 -12.280 1.00 31.22 H new ATOM 0 HA SER A 72 -6.957 4.870 -11.138 1.00 2.42 H new ATOM 0 HB2 SER A 72 -6.811 4.165 -13.308 1.00 73.51 H new ATOM 0 HB3 SER A 72 -6.948 5.876 -13.661 1.00 73.51 H new ATOM 0 HG SER A 72 -5.143 4.898 -14.741 1.00 73.13 H new ATOM 1022 N PRO A 73 -4.671 3.764 -10.824 1.00 75.13 N ATOM 1023 CA PRO A 73 -3.405 3.229 -10.314 1.00 35.21 C ATOM 1024 C PRO A 73 -2.325 3.173 -11.389 1.00 15.44 C ATOM 1025 O PRO A 73 -2.600 2.959 -12.571 1.00 43.45 O ATOM 1026 CB PRO A 73 -3.775 1.816 -9.856 1.00 42.02 C ATOM 1027 CG PRO A 73 -4.964 1.451 -10.676 1.00 10.33 C ATOM 1028 CD PRO A 73 -5.719 2.732 -10.905 1.00 55.12 C ATOM 0 HA PRO A 73 -2.988 3.853 -9.523 1.00 35.21 H new ATOM 0 HB2 PRO A 73 -2.953 1.119 -10.019 1.00 42.02 H new ATOM 0 HB3 PRO A 73 -4.006 1.793 -8.791 1.00 42.02 H new ATOM 0 HG2 PRO A 73 -4.662 1.001 -11.622 1.00 10.33 H new ATOM 0 HG3 PRO A 73 -5.585 0.719 -10.159 1.00 10.33 H new ATOM 0 HD2 PRO A 73 -6.215 2.738 -11.876 1.00 55.12 H new ATOM 0 HD3 PRO A 73 -6.492 2.884 -10.151 1.00 55.12 H new ATOM 1033 N PRO A 74 -1.064 3.370 -10.974 1.00 45.21 N ATOM 1034 CA PRO A 74 0.082 3.346 -11.886 1.00 54.24 C ATOM 1035 C PRO A 74 0.372 1.947 -12.417 1.00 73.31 C ATOM 1036 O PRO A 74 0.092 0.940 -11.766 1.00 74.24 O ATOM 1037 CB PRO A 74 1.240 3.837 -11.013 1.00 13.25 C ATOM 1038 CG PRO A 74 0.835 3.499 -9.620 1.00 31.14 C ATOM 1039 CD PRO A 74 -0.662 3.631 -9.581 1.00 22.22 C ATOM 0 HA PRO A 74 -0.090 3.956 -12.773 1.00 54.24 H new ATOM 0 HB2 PRO A 74 2.175 3.346 -11.283 1.00 13.25 H new ATOM 0 HB3 PRO A 74 1.397 4.909 -11.130 1.00 13.25 H new ATOM 0 HG2 PRO A 74 1.145 2.487 -9.358 1.00 31.14 H new ATOM 0 HG3 PRO A 74 1.305 4.172 -8.903 1.00 31.14 H new ATOM 0 HD2 PRO A 74 -1.111 2.915 -8.892 1.00 22.22 H new ATOM 0 HD3 PRO A 74 -0.969 4.624 -9.253 1.00 22.22 H new ATOM 1044 N PRO A 75 0.947 1.879 -13.626 1.00 33.41 N ATOM 1045 CA PRO A 75 1.289 0.607 -14.270 1.00 30.44 C ATOM 1046 C PRO A 75 2.443 -0.104 -13.574 1.00 71.44 C ATOM 1047 O PRO A 75 3.514 0.464 -13.357 1.00 23.23 O ATOM 1048 CB PRO A 75 1.693 1.024 -15.687 1.00 53.24 C ATOM 1049 CG PRO A 75 2.149 2.435 -15.550 1.00 54.11 C ATOM 1050 CD PRO A 75 1.309 3.038 -14.459 1.00 43.20 C ATOM 0 HA PRO A 75 0.461 -0.101 -14.239 1.00 30.44 H new ATOM 0 HB2 PRO A 75 2.487 0.387 -16.076 1.00 53.24 H new ATOM 0 HB3 PRO A 75 0.854 0.944 -16.378 1.00 53.24 H new ATOM 0 HG2 PRO A 75 3.208 2.480 -15.297 1.00 54.11 H new ATOM 0 HG3 PRO A 75 2.022 2.979 -16.486 1.00 54.11 H new ATOM 0 HD2 PRO A 75 1.864 3.784 -13.890 1.00 43.20 H new ATOM 0 HD3 PRO A 75 0.426 3.536 -14.860 1.00 43.20 H new ATOM 1055 N PRO A 76 2.225 -1.378 -13.214 1.00 65.14 N ATOM 1056 CA PRO A 76 3.236 -2.194 -12.537 1.00 70.14 C ATOM 1057 C PRO A 76 4.402 -2.551 -13.453 1.00 2.20 C ATOM 1058 O PRO A 76 4.360 -2.332 -14.664 1.00 42.34 O ATOM 1059 CB PRO A 76 2.466 -3.454 -12.136 1.00 62.33 C ATOM 1060 CG PRO A 76 1.343 -3.539 -13.112 1.00 1.42 C ATOM 1061 CD PRO A 76 0.972 -2.119 -13.440 1.00 41.25 C ATOM 0 HA PRO A 76 3.687 -1.668 -11.695 1.00 70.14 H new ATOM 0 HB2 PRO A 76 3.101 -4.338 -12.185 1.00 62.33 H new ATOM 0 HB3 PRO A 76 2.097 -3.383 -11.113 1.00 62.33 H new ATOM 0 HG2 PRO A 76 1.645 -4.081 -14.008 1.00 1.42 H new ATOM 0 HG3 PRO A 76 0.495 -4.076 -12.686 1.00 1.42 H new ATOM 0 HD2 PRO A 76 0.627 -2.021 -14.469 1.00 41.25 H new ATOM 0 HD3 PRO A 76 0.169 -1.755 -12.799 1.00 41.25 H new ATOM 1066 N PRO A 77 5.466 -3.115 -12.865 1.00 74.31 N ATOM 1067 CA PRO A 77 6.663 -3.516 -13.612 1.00 41.31 C ATOM 1068 C PRO A 77 6.407 -4.714 -14.519 1.00 23.31 C ATOM 1069 O PRO A 77 7.337 -5.284 -15.089 1.00 21.22 O ATOM 1070 CB PRO A 77 7.661 -3.883 -12.511 1.00 11.00 C ATOM 1071 CG PRO A 77 6.817 -4.266 -11.345 1.00 21.55 C ATOM 1072 CD PRO A 77 5.585 -3.407 -11.427 1.00 43.13 C ATOM 0 HA PRO A 77 7.012 -2.726 -14.277 1.00 41.31 H new ATOM 0 HB2 PRO A 77 8.306 -4.706 -12.820 1.00 11.00 H new ATOM 0 HB3 PRO A 77 8.311 -3.042 -12.270 1.00 11.00 H new ATOM 0 HG2 PRO A 77 6.558 -5.324 -11.381 1.00 21.55 H new ATOM 0 HG3 PRO A 77 7.347 -4.099 -10.407 1.00 21.55 H new ATOM 0 HD2 PRO A 77 4.706 -3.929 -11.049 1.00 43.13 H new ATOM 0 HD3 PRO A 77 5.691 -2.495 -10.840 1.00 43.13 H new