USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 705 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 35 GLN : amide:sc= -3.18! C(o=-3.5!,f=-7.3!) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.689 K(o=-3.5,f=-7.3) USER MOD Set 1.3: A 94 TYR OH : rot 68:sc= 0.354 USER MOD Set 2.1: A 19 THR OG1 : rot 171:sc= 0.57 USER MOD Set 2.2: A 77 THR OG1 : rot -27:sc= 1.07 USER MOD Set 3.1: A 53 ASN : amide:sc= -6.32! K(o=-17!,f=-1.4) USER MOD Set 3.2: A 54 GLN : amide:sc= -11! K(o=-17!,f=0.71) USER MOD Set 4.1: A 37 TYR OH : rot -126:sc= 0.823 USER MOD Set 4.2: A 47 THR OG1 : rot -40:sc= 0.43! USER MOD Set 5.1: A 28 SER OG : rot 180:sc= -0.525 USER MOD Set 5.2: A 32 ASN : amide:sc= -2.54 X(o=-3.1,f=-2.6) USER MOD Set 6.1: A 8 HIS : no HE2:sc= -3.87! C(o=-6.2!,f=-3.5!) USER MOD Set 6.2: A 9 SER OG : rot -170:sc= -2.29 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -20.7! C(o=-21!,f=-22!) USER MOD Single : A 11 SER OG : rot -13:sc= -2.43! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -152:sc= -1.69 USER MOD Single : A 25 SER OG : rot -139:sc= -0.385 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -6.24! C(o=-6.2!,f=-10!) USER MOD Single : A 39 GLN : amide:sc= -3.02 K(o=-3,f=-1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00176 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.534 USER MOD Single : A 72 ASN : amide:sc= -0.0885 K(o=-0.089,f=-2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 166:sc=-0.00249 (180deg=-0.193) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -2:sc= 0.317 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.84 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -80:sc= 0.32 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00207 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.195 14.722 8.324 1.00 0.00 N ATOM 38 CA MET A 3 83.162 13.894 7.609 1.00 0.00 C ATOM 39 C MET A 3 82.738 12.430 7.694 1.00 0.00 C ATOM 40 O MET A 3 81.801 12.101 8.421 1.00 0.00 O ATOM 41 CB MET A 3 84.555 14.083 8.223 1.00 0.00 C ATOM 42 CG MET A 3 85.639 13.864 7.163 1.00 0.00 C ATOM 43 SD MET A 3 87.270 14.169 7.886 1.00 0.00 S ATOM 44 CE MET A 3 87.606 12.465 8.397 1.00 0.00 C ATOM 0 HA MET A 3 83.197 14.192 6.561 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.643 15.086 8.640 1.00 0.00 H new ATOM 0 HB3 MET A 3 84.695 13.382 9.046 1.00 0.00 H new ATOM 0 HG2 MET A 3 85.585 12.845 6.779 1.00 0.00 H new ATOM 0 HG3 MET A 3 85.475 14.532 6.318 1.00 0.00 H new ATOM 0 HE1 MET A 3 88.583 12.415 8.878 1.00 0.00 H new ATOM 0 HE2 MET A 3 86.839 12.138 9.099 1.00 0.00 H new ATOM 0 HE3 MET A 3 87.599 11.815 7.522 1.00 0.00 H new ATOM 54 N LEU A 4 83.391 11.560 6.927 1.00 0.00 N ATOM 55 CA LEU A 4 83.086 10.135 6.947 1.00 0.00 C ATOM 56 C LEU A 4 84.328 9.365 7.379 1.00 0.00 C ATOM 57 O LEU A 4 85.242 9.149 6.584 1.00 0.00 O ATOM 58 CB LEU A 4 82.636 9.700 5.546 1.00 0.00 C ATOM 59 CG LEU A 4 81.405 8.786 5.613 1.00 0.00 C ATOM 60 CD1 LEU A 4 80.697 8.707 4.255 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.837 7.400 6.099 1.00 0.00 C ATOM 0 H LEU A 4 84.137 11.820 6.282 1.00 0.00 H new ATOM 0 HA LEU A 4 82.283 9.927 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 4 82.405 10.581 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.452 9.178 5.046 1.00 0.00 H new ATOM 0 HG LEU A 4 80.687 9.203 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 4 79.829 8.052 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 4 80.373 9.704 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.385 8.309 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.967 6.745 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.567 6.982 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 4 82.285 7.485 7.089 1.00 0.00 H new ATOM 73 N THR A 5 84.345 8.921 8.633 1.00 0.00 N ATOM 74 CA THR A 5 85.503 8.203 9.150 1.00 0.00 C ATOM 75 C THR A 5 85.364 6.708 8.889 1.00 0.00 C ATOM 76 O THR A 5 84.309 6.121 9.131 1.00 0.00 O ATOM 77 CB THR A 5 85.648 8.423 10.657 1.00 0.00 C ATOM 78 OG1 THR A 5 84.439 8.064 11.309 1.00 0.00 O ATOM 79 CG2 THR A 5 85.973 9.893 10.937 1.00 0.00 C ATOM 0 H THR A 5 83.583 9.044 9.300 1.00 0.00 H new ATOM 0 HA THR A 5 86.385 8.587 8.638 1.00 0.00 H new ATOM 0 HB THR A 5 86.459 7.801 11.036 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.534 8.204 12.274 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.075 10.045 12.012 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.907 10.160 10.442 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.168 10.522 10.557 1.00 0.00 H new ATOM 87 N GLN A 6 86.414 6.107 8.341 1.00 0.00 N ATOM 88 CA GLN A 6 86.389 4.691 7.994 1.00 0.00 C ATOM 89 C GLN A 6 87.775 4.080 8.190 1.00 0.00 C ATOM 90 O GLN A 6 88.782 4.778 8.074 1.00 0.00 O ATOM 91 CB GLN A 6 85.908 4.513 6.549 1.00 0.00 C ATOM 92 CG GLN A 6 86.020 5.820 5.761 1.00 0.00 C ATOM 93 CD GLN A 6 85.402 5.617 4.385 1.00 0.00 C ATOM 94 OE1 GLN A 6 85.772 6.300 3.432 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.369 4.829 4.268 1.00 0.00 N ATOM 0 H GLN A 6 87.293 6.578 8.127 1.00 0.00 H new ATOM 0 HA GLN A 6 85.692 4.172 8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 6 86.499 3.739 6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 6 84.873 4.172 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 6 85.509 6.624 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 6 87.065 6.115 5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 6 84.066 4.264 5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.864 4.778 3.383 1.00 0.00 H new ATOM 104 N PRO A 7 87.853 2.777 8.226 1.00 0.00 N ATOM 105 CA PRO A 7 89.142 2.060 8.435 1.00 0.00 C ATOM 106 C PRO A 7 90.189 2.515 7.419 1.00 0.00 C ATOM 107 O PRO A 7 89.847 2.854 6.285 1.00 0.00 O ATOM 108 CB PRO A 7 88.791 0.577 8.247 1.00 0.00 C ATOM 109 CG PRO A 7 87.313 0.488 8.024 1.00 0.00 C ATOM 110 CD PRO A 7 86.709 1.858 8.341 1.00 0.00 C ATOM 0 HA PRO A 7 89.574 2.258 9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.332 0.160 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.082 0.000 9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.098 0.205 6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 7 86.876 -0.279 8.663 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.915 2.117 7.641 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.274 1.883 9.340 1.00 0.00 H new ATOM 118 N HIS A 8 91.451 2.568 7.832 1.00 0.00 N ATOM 119 CA HIS A 8 92.510 3.019 6.935 1.00 0.00 C ATOM 120 C HIS A 8 92.578 2.127 5.696 1.00 0.00 C ATOM 121 O HIS A 8 92.061 2.480 4.637 1.00 0.00 O ATOM 122 CB HIS A 8 93.846 3.024 7.686 1.00 0.00 C ATOM 123 CG HIS A 8 95.013 2.832 6.754 1.00 0.00 C ATOM 124 ND1 HIS A 8 95.028 3.388 5.485 1.00 0.00 N ATOM 125 CD2 HIS A 8 96.089 1.977 6.794 1.00 0.00 C ATOM 126 CE1 HIS A 8 96.146 2.971 4.869 1.00 0.00 C ATOM 127 NE2 HIS A 8 96.842 2.124 5.631 1.00 0.00 N ATOM 0 H HIS A 8 91.763 2.309 8.768 1.00 0.00 H new ATOM 0 HA HIS A 8 92.293 4.033 6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 8 93.959 3.967 8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.845 2.232 8.435 1.00 0.00 H new ATOM 0 HD1 HIS A 8 94.317 4.004 5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 8 96.315 1.297 7.602 1.00 0.00 H new ATOM 0 HE1 HIS A 8 96.445 3.282 3.879 1.00 0.00 H new ATOM 135 N SER A 9 93.090 0.914 5.880 1.00 0.00 N ATOM 136 CA SER A 9 93.235 -0.026 4.776 1.00 0.00 C ATOM 137 C SER A 9 93.400 -1.438 5.325 1.00 0.00 C ATOM 138 O SER A 9 93.729 -1.622 6.497 1.00 0.00 O ATOM 139 CB SER A 9 94.459 0.328 3.927 1.00 0.00 C ATOM 140 OG SER A 9 94.324 1.640 3.403 1.00 0.00 O ATOM 0 H SER A 9 93.411 0.560 6.781 1.00 0.00 H new ATOM 0 HA SER A 9 92.342 0.030 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.363 0.261 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 9 94.566 -0.388 3.113 1.00 0.00 H new ATOM 0 HG SER A 9 95.027 1.801 2.739 1.00 0.00 H new ATOM 146 N VAL A 10 93.122 -2.430 4.488 1.00 0.00 N ATOM 147 CA VAL A 10 93.210 -3.818 4.920 1.00 0.00 C ATOM 148 C VAL A 10 93.229 -4.751 3.715 1.00 0.00 C ATOM 149 O VAL A 10 92.787 -4.387 2.626 1.00 0.00 O ATOM 150 CB VAL A 10 92.022 -4.152 5.823 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.717 -3.887 5.070 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.086 -5.625 6.232 1.00 0.00 C ATOM 0 H VAL A 10 92.837 -2.301 3.517 1.00 0.00 H new ATOM 0 HA VAL A 10 94.136 -3.956 5.478 1.00 0.00 H new ATOM 0 HB VAL A 10 92.060 -3.527 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.870 -4.125 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.670 -2.837 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.680 -4.510 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.239 -5.861 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.051 -6.252 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.014 -5.813 6.771 1.00 0.00 H new ATOM 162 N SER A 11 93.792 -5.940 3.906 1.00 0.00 N ATOM 163 CA SER A 11 93.852 -6.946 2.850 1.00 0.00 C ATOM 164 C SER A 11 93.245 -8.260 3.333 1.00 0.00 C ATOM 165 O SER A 11 93.560 -8.728 4.427 1.00 0.00 O ATOM 166 CB SER A 11 95.315 -7.163 2.451 1.00 0.00 C ATOM 167 OG SER A 11 95.892 -8.158 3.285 1.00 0.00 O ATOM 0 H SER A 11 94.215 -6.232 4.787 1.00 0.00 H new ATOM 0 HA SER A 11 93.281 -6.599 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.376 -7.469 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.870 -6.230 2.543 1.00 0.00 H new ATOM 0 HG SER A 11 95.302 -8.326 4.050 1.00 0.00 H new ATOM 173 N GLU A 12 92.451 -8.900 2.477 1.00 0.00 N ATOM 174 CA GLU A 12 91.791 -10.156 2.828 1.00 0.00 C ATOM 175 C GLU A 12 92.283 -11.276 1.918 1.00 0.00 C ATOM 176 O GLU A 12 92.910 -11.024 0.890 1.00 0.00 O ATOM 177 CB GLU A 12 90.273 -9.999 2.671 1.00 0.00 C ATOM 178 CG GLU A 12 89.536 -10.895 3.671 1.00 0.00 C ATOM 179 CD GLU A 12 89.712 -10.345 5.084 1.00 0.00 C ATOM 180 OE1 GLU A 12 88.961 -9.457 5.454 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.571 -10.846 5.790 1.00 0.00 O ATOM 0 H GLU A 12 92.249 -8.569 1.534 1.00 0.00 H new ATOM 0 HA GLU A 12 92.028 -10.406 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 12 89.991 -8.958 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 12 89.978 -10.259 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.477 -10.943 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 12 89.923 -11.912 3.616 1.00 0.00 H new ATOM 188 N SER A 13 92.067 -12.518 2.341 1.00 0.00 N ATOM 189 CA SER A 13 92.563 -13.658 1.579 1.00 0.00 C ATOM 190 C SER A 13 91.519 -14.110 0.562 1.00 0.00 C ATOM 191 O SER A 13 90.332 -14.169 0.884 1.00 0.00 O ATOM 192 CB SER A 13 92.906 -14.817 2.517 1.00 0.00 C ATOM 193 OG SER A 13 93.501 -14.308 3.701 1.00 0.00 O ATOM 0 H SER A 13 91.560 -12.758 3.193 1.00 0.00 H new ATOM 0 HA SER A 13 93.465 -13.351 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.005 -15.379 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.588 -15.509 2.023 1.00 0.00 H new ATOM 0 HG SER A 13 93.719 -15.050 4.303 1.00 0.00 H new ATOM 199 N PRO A 14 91.919 -14.517 -0.616 1.00 0.00 N ATOM 200 CA PRO A 14 90.954 -14.996 -1.645 1.00 0.00 C ATOM 201 C PRO A 14 90.083 -16.128 -1.109 1.00 0.00 C ATOM 202 O PRO A 14 90.556 -17.253 -0.957 1.00 0.00 O ATOM 203 CB PRO A 14 91.817 -15.457 -2.829 1.00 0.00 C ATOM 204 CG PRO A 14 93.254 -15.232 -2.468 1.00 0.00 C ATOM 205 CD PRO A 14 93.310 -14.548 -1.099 1.00 0.00 C ATOM 0 HA PRO A 14 90.258 -14.211 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.638 -16.511 -3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.558 -14.900 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.790 -16.180 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.741 -14.613 -3.221 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.952 -15.099 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.720 -13.541 -1.180 1.00 0.00 H new ATOM 213 N GLY A 15 88.782 -15.874 -0.997 1.00 0.00 N ATOM 214 CA GLY A 15 87.831 -16.896 -0.574 1.00 0.00 C ATOM 215 C GLY A 15 87.213 -16.536 0.773 1.00 0.00 C ATOM 216 O GLY A 15 86.146 -17.036 1.132 1.00 0.00 O ATOM 0 H GLY A 15 88.362 -14.966 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.046 -17.001 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.334 -17.860 -0.502 1.00 0.00 H new ATOM 220 N LYS A 16 87.885 -15.663 1.514 1.00 0.00 N ATOM 221 CA LYS A 16 87.351 -15.185 2.782 1.00 0.00 C ATOM 222 C LYS A 16 86.290 -14.117 2.534 1.00 0.00 C ATOM 223 O LYS A 16 85.711 -14.049 1.451 1.00 0.00 O ATOM 224 CB LYS A 16 88.492 -14.615 3.633 1.00 0.00 C ATOM 225 CG LYS A 16 89.116 -15.714 4.496 1.00 0.00 C ATOM 226 CD LYS A 16 90.193 -15.105 5.396 1.00 0.00 C ATOM 227 CE LYS A 16 90.630 -16.157 6.418 1.00 0.00 C ATOM 228 NZ LYS A 16 91.677 -15.586 7.311 1.00 0.00 N ATOM 0 H LYS A 16 88.794 -15.275 1.261 1.00 0.00 H new ATOM 0 HA LYS A 16 86.887 -16.015 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.252 -14.176 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.114 -13.815 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.349 -16.194 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.551 -16.487 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.046 -14.781 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.806 -14.222 5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 16 89.773 -16.482 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.017 -17.038 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 91.971 -16.304 8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 92.498 -15.296 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 91.293 -14.759 7.811 1.00 0.00 H new ATOM 242 N THR A 17 85.886 -13.449 3.611 1.00 0.00 N ATOM 243 CA THR A 17 84.888 -12.386 3.547 1.00 0.00 C ATOM 244 C THR A 17 85.406 -11.144 4.269 1.00 0.00 C ATOM 245 O THR A 17 86.243 -11.239 5.170 1.00 0.00 O ATOM 246 CB THR A 17 83.597 -12.869 4.211 1.00 0.00 C ATOM 247 OG1 THR A 17 83.864 -13.201 5.566 1.00 0.00 O ATOM 248 CG2 THR A 17 83.095 -14.108 3.469 1.00 0.00 C ATOM 0 H THR A 17 86.240 -13.629 4.550 1.00 0.00 H new ATOM 0 HA THR A 17 84.692 -12.133 2.505 1.00 0.00 H new ATOM 0 HB THR A 17 82.840 -12.085 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.039 -13.509 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.175 -14.462 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.902 -13.854 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.851 -14.892 3.517 1.00 0.00 H new ATOM 256 N VAL A 18 84.911 -9.976 3.870 1.00 0.00 N ATOM 257 CA VAL A 18 85.288 -8.728 4.528 1.00 0.00 C ATOM 258 C VAL A 18 84.086 -7.796 4.640 1.00 0.00 C ATOM 259 O VAL A 18 83.211 -7.794 3.775 1.00 0.00 O ATOM 260 CB VAL A 18 86.417 -8.048 3.750 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.970 -7.693 2.329 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.847 -6.771 4.474 1.00 0.00 C ATOM 0 H VAL A 18 84.252 -9.867 3.099 1.00 0.00 H new ATOM 0 HA VAL A 18 85.639 -8.956 5.534 1.00 0.00 H new ATOM 0 HB VAL A 18 87.254 -8.744 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.792 -7.211 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.681 -8.602 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.119 -7.013 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.651 -6.290 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.998 -6.091 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.198 -7.021 5.475 1.00 0.00 H new ATOM 272 N THR A 19 84.101 -6.938 5.656 1.00 0.00 N ATOM 273 CA THR A 19 83.050 -5.945 5.856 1.00 0.00 C ATOM 274 C THR A 19 83.660 -4.548 5.925 1.00 0.00 C ATOM 275 O THR A 19 84.522 -4.282 6.762 1.00 0.00 O ATOM 276 CB THR A 19 82.306 -6.278 7.154 1.00 0.00 C ATOM 277 OG1 THR A 19 81.282 -7.224 6.882 1.00 0.00 O ATOM 278 CG2 THR A 19 81.685 -5.033 7.796 1.00 0.00 C ATOM 0 H THR A 19 84.838 -6.911 6.361 1.00 0.00 H new ATOM 0 HA THR A 19 82.349 -5.965 5.022 1.00 0.00 H new ATOM 0 HB THR A 19 83.032 -6.690 7.855 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.902 -7.547 7.726 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.168 -5.316 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.470 -4.314 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.974 -4.582 7.103 1.00 0.00 H new ATOM 286 N ILE A 20 83.043 -3.616 5.205 1.00 0.00 N ATOM 287 CA ILE A 20 83.458 -2.217 5.223 1.00 0.00 C ATOM 288 C ILE A 20 82.526 -1.393 6.103 1.00 0.00 C ATOM 289 O ILE A 20 81.337 -1.694 6.204 1.00 0.00 O ATOM 290 CB ILE A 20 83.427 -1.643 3.805 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.088 -2.620 2.829 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.186 -0.315 3.786 1.00 0.00 C ATOM 293 CD1 ILE A 20 83.922 -2.108 1.397 1.00 0.00 C ATOM 0 H ILE A 20 82.247 -3.807 4.597 1.00 0.00 H new ATOM 0 HA ILE A 20 84.471 -2.170 5.623 1.00 0.00 H new ATOM 0 HB ILE A 20 82.392 -1.485 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.146 -2.727 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 20 83.638 -3.608 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.168 0.100 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.713 0.385 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.219 -0.482 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 20 84.393 -2.805 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 20 82.861 -2.024 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.393 -1.130 1.304 1.00 0.00 H new ATOM 305 N SER A 21 83.080 -0.411 6.808 1.00 0.00 N ATOM 306 CA SER A 21 82.294 0.461 7.676 1.00 0.00 C ATOM 307 C SER A 21 82.409 1.918 7.227 1.00 0.00 C ATOM 308 O SER A 21 83.513 2.461 7.225 1.00 0.00 O ATOM 309 CB SER A 21 82.792 0.289 9.114 1.00 0.00 C ATOM 310 OG SER A 21 82.915 -1.096 9.410 1.00 0.00 O ATOM 0 H SER A 21 84.077 -0.198 6.795 1.00 0.00 H new ATOM 0 HA SER A 21 81.240 0.188 7.619 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.754 0.785 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.098 0.760 9.810 1.00 0.00 H new ATOM 0 HG SER A 21 83.235 -1.207 10.330 1.00 0.00 H new ATOM 316 N CYS A 22 81.277 2.598 7.032 1.00 0.00 N ATOM 317 CA CYS A 22 81.240 4.024 6.683 1.00 0.00 C ATOM 318 C CYS A 22 80.495 4.729 7.826 1.00 0.00 C ATOM 319 O CYS A 22 79.395 4.313 8.193 1.00 0.00 O ATOM 320 CB CYS A 22 80.546 4.269 5.319 1.00 0.00 C ATOM 321 SG CYS A 22 81.670 4.425 3.885 1.00 0.00 S ATOM 0 H CYS A 22 80.353 2.174 7.112 1.00 0.00 H new ATOM 0 HA CYS A 22 82.250 4.418 6.570 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.854 3.448 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.949 5.178 5.392 1.00 0.00 H new ATOM 326 N THR A 23 81.201 5.563 8.596 1.00 0.00 N ATOM 327 CA THR A 23 80.581 6.328 9.680 1.00 0.00 C ATOM 328 C THR A 23 80.635 7.804 9.306 1.00 0.00 C ATOM 329 O THR A 23 81.730 8.338 9.134 1.00 0.00 O ATOM 330 CB THR A 23 81.324 6.144 11.008 1.00 0.00 C ATOM 331 OG1 THR A 23 81.227 4.784 11.405 1.00 0.00 O ATOM 332 CG2 THR A 23 80.709 7.028 12.101 1.00 0.00 C ATOM 0 H THR A 23 82.202 5.725 8.488 1.00 0.00 H new ATOM 0 HA THR A 23 79.558 5.974 9.809 1.00 0.00 H new ATOM 0 HB THR A 23 82.367 6.430 10.871 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.278 4.724 12.382 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.251 6.882 13.035 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.775 8.074 11.803 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.663 6.757 12.243 1.00 0.00 H new ATOM 340 N ARG A 24 79.556 8.513 9.617 1.00 0.00 N ATOM 341 CA ARG A 24 79.558 9.964 9.493 1.00 0.00 C ATOM 342 C ARG A 24 79.925 10.601 10.828 1.00 0.00 C ATOM 343 O ARG A 24 79.346 10.279 11.865 1.00 0.00 O ATOM 344 CB ARG A 24 78.180 10.441 9.025 1.00 0.00 C ATOM 345 CG ARG A 24 77.998 10.098 7.545 1.00 0.00 C ATOM 346 CD ARG A 24 76.518 10.188 7.167 1.00 0.00 C ATOM 347 NE ARG A 24 75.882 11.277 7.897 1.00 0.00 N ATOM 348 CZ ARG A 24 76.218 12.541 7.660 1.00 0.00 C ATOM 349 NH1 ARG A 24 76.934 12.837 6.612 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.815 13.489 8.460 1.00 0.00 N ATOM 0 H ARG A 24 78.680 8.113 9.952 1.00 0.00 H new ATOM 0 HA ARG A 24 80.302 10.265 8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.398 9.967 9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.085 11.517 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.582 10.783 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.372 9.094 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.418 10.351 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.018 9.246 7.394 1.00 0.00 H new ATOM 0 HE ARG A 24 75.171 11.067 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.235 12.099 5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 24 77.193 13.806 6.428 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.240 13.262 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.075 14.458 8.275 1.00 0.00 H new ATOM 364 N SER A 25 80.738 11.646 10.754 1.00 0.00 N ATOM 365 CA SER A 25 81.115 12.415 11.931 1.00 0.00 C ATOM 366 C SER A 25 79.879 12.996 12.609 1.00 0.00 C ATOM 367 O SER A 25 79.985 13.908 13.428 1.00 0.00 O ATOM 368 CB SER A 25 82.096 13.528 11.559 1.00 0.00 C ATOM 369 OG SER A 25 83.159 12.982 10.791 1.00 0.00 O ATOM 0 H SER A 25 81.151 11.982 9.884 1.00 0.00 H new ATOM 0 HA SER A 25 81.610 11.744 12.633 1.00 0.00 H new ATOM 0 HB2 SER A 25 81.584 14.305 10.991 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.488 13.999 12.461 1.00 0.00 H new ATOM 0 HG SER A 25 84.007 13.384 11.074 1.00 0.00 H new ATOM 375 N SER A 26 78.719 12.674 12.042 1.00 0.00 N ATOM 376 CA SER A 26 77.451 13.228 12.502 1.00 0.00 C ATOM 377 C SER A 26 76.687 12.168 13.292 1.00 0.00 C ATOM 378 O SER A 26 75.758 12.480 14.036 1.00 0.00 O ATOM 379 CB SER A 26 76.647 13.697 11.283 1.00 0.00 C ATOM 380 OG SER A 26 76.292 15.063 11.448 1.00 0.00 O ATOM 0 H SER A 26 78.633 12.027 11.258 1.00 0.00 H new ATOM 0 HA SER A 26 77.623 14.080 13.160 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.236 13.570 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.750 13.088 11.169 1.00 0.00 H new ATOM 0 HG SER A 26 75.780 15.364 10.669 1.00 0.00 H new ATOM 386 N GLY A 27 77.075 10.910 13.109 1.00 0.00 N ATOM 387 CA GLY A 27 76.435 9.799 13.805 1.00 0.00 C ATOM 388 C GLY A 27 75.208 9.292 13.051 1.00 0.00 C ATOM 389 O GLY A 27 74.869 8.112 13.140 1.00 0.00 O ATOM 0 H GLY A 27 77.831 10.634 12.483 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.150 8.985 13.926 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.142 10.117 14.806 1.00 0.00 H new ATOM 393 N SER A 28 74.671 10.113 12.154 1.00 0.00 N ATOM 394 CA SER A 28 73.501 9.719 11.375 1.00 0.00 C ATOM 395 C SER A 28 73.924 8.969 10.116 1.00 0.00 C ATOM 396 O SER A 28 74.710 9.481 9.320 1.00 0.00 O ATOM 397 CB SER A 28 72.706 10.964 10.970 1.00 0.00 C ATOM 398 OG SER A 28 72.075 10.744 9.717 1.00 0.00 O ATOM 0 H SER A 28 75.023 11.048 11.949 1.00 0.00 H new ATOM 0 HA SER A 28 72.882 9.066 11.990 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.958 11.192 11.729 1.00 0.00 H new ATOM 0 HB3 SER A 28 73.370 11.826 10.907 1.00 0.00 H new ATOM 0 HG SER A 28 71.566 11.542 9.462 1.00 0.00 H new ATOM 404 N ILE A 29 73.526 7.703 10.024 1.00 0.00 N ATOM 405 CA ILE A 29 73.921 6.837 8.917 1.00 0.00 C ATOM 406 C ILE A 29 72.741 6.036 8.382 1.00 0.00 C ATOM 407 O ILE A 29 72.283 6.260 7.262 1.00 0.00 O ATOM 408 CB ILE A 29 74.989 5.844 9.386 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.578 5.225 10.737 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.362 6.536 9.455 1.00 0.00 C ATOM 411 CD1 ILE A 29 74.089 3.774 10.625 1.00 0.00 C ATOM 0 H ILE A 29 72.923 7.250 10.711 1.00 0.00 H new ATOM 0 HA ILE A 29 74.307 7.481 8.127 1.00 0.00 H new ATOM 0 HB ILE A 29 75.073 5.029 8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.429 5.261 11.418 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.789 5.832 11.180 1.00 0.00 H new ATOM 0 HG21 ILE A 29 77.113 5.821 9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.631 6.910 8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.315 7.368 10.157 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.817 3.404 11.614 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.218 3.733 9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.884 3.153 10.211 1.00 0.00 H new ATOM 423 N ALA A 30 72.159 5.210 9.247 1.00 0.00 N ATOM 424 CA ALA A 30 71.024 4.390 8.840 1.00 0.00 C ATOM 425 C ALA A 30 69.910 5.329 8.398 1.00 0.00 C ATOM 426 O ALA A 30 68.842 4.905 7.958 1.00 0.00 O ATOM 427 CB ALA A 30 70.540 3.550 10.023 1.00 0.00 C ATOM 0 H ALA A 30 72.449 5.092 10.218 1.00 0.00 H new ATOM 0 HA ALA A 30 71.311 3.720 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.692 2.939 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.348 2.903 10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.235 4.209 10.836 1.00 0.00 H new ATOM 433 N SER A 31 70.228 6.615 8.493 1.00 0.00 N ATOM 434 CA SER A 31 69.300 7.676 8.109 1.00 0.00 C ATOM 435 C SER A 31 69.561 8.189 6.696 1.00 0.00 C ATOM 436 O SER A 31 68.611 8.414 5.946 1.00 0.00 O ATOM 437 CB SER A 31 69.392 8.850 9.086 1.00 0.00 C ATOM 438 OG SER A 31 68.402 9.812 8.748 1.00 0.00 O ATOM 0 H SER A 31 71.128 6.951 8.835 1.00 0.00 H new ATOM 0 HA SER A 31 68.301 7.241 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.245 8.501 10.108 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.384 9.299 9.042 1.00 0.00 H new ATOM 0 HG SER A 31 68.453 10.567 9.371 1.00 0.00 H new ATOM 444 N ASN A 32 70.802 8.070 6.231 1.00 0.00 N ATOM 445 CA ASN A 32 71.167 8.570 4.908 1.00 0.00 C ATOM 446 C ASN A 32 71.551 7.387 4.029 1.00 0.00 C ATOM 447 O ASN A 32 72.141 6.416 4.502 1.00 0.00 O ATOM 448 CB ASN A 32 72.358 9.531 4.990 1.00 0.00 C ATOM 449 CG ASN A 32 73.396 8.995 5.969 1.00 0.00 C ATOM 450 OD1 ASN A 32 74.143 8.070 5.652 1.00 0.00 O ATOM 451 ND2 ASN A 32 73.534 9.588 7.124 1.00 0.00 N ATOM 0 H ASN A 32 71.567 7.635 6.746 1.00 0.00 H new ATOM 0 HA ASN A 32 70.316 9.107 4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.806 9.653 4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.019 10.516 5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 32 74.264 9.285 7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 32 72.912 10.354 7.381 1.00 0.00 H new ATOM 458 N TYR A 33 71.155 7.455 2.762 1.00 0.00 N ATOM 459 CA TYR A 33 71.420 6.359 1.840 1.00 0.00 C ATOM 460 C TYR A 33 72.902 6.326 1.494 1.00 0.00 C ATOM 461 O TYR A 33 73.572 7.357 1.525 1.00 0.00 O ATOM 462 CB TYR A 33 70.603 6.536 0.560 1.00 0.00 C ATOM 463 CG TYR A 33 69.143 6.284 0.856 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.695 4.977 1.090 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.243 7.355 0.940 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.340 4.732 1.344 1.00 0.00 C ATOM 467 CE2 TYR A 33 66.893 7.114 1.220 1.00 0.00 C ATOM 468 CZ TYR A 33 66.437 5.800 1.388 1.00 0.00 C ATOM 469 OH TYR A 33 65.101 5.560 1.631 1.00 0.00 O ATOM 0 H TYR A 33 70.656 8.246 2.355 1.00 0.00 H new ATOM 0 HA TYR A 33 71.135 5.422 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.737 7.544 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.954 5.845 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 33 69.397 4.156 1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.591 8.366 0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.993 3.722 1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.203 7.941 1.306 1.00 0.00 H new ATOM 0 HH TYR A 33 64.611 6.409 1.630 1.00 0.00 H new ATOM 479 N VAL A 34 73.444 5.123 1.324 1.00 0.00 N ATOM 480 CA VAL A 34 74.860 4.954 1.011 1.00 0.00 C ATOM 481 C VAL A 34 75.030 4.120 -0.254 1.00 0.00 C ATOM 482 O VAL A 34 74.365 3.099 -0.430 1.00 0.00 O ATOM 483 CB VAL A 34 75.575 4.273 2.181 1.00 0.00 C ATOM 484 CG1 VAL A 34 77.053 4.088 1.829 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.453 5.140 3.437 1.00 0.00 C ATOM 0 H VAL A 34 72.923 4.249 1.398 1.00 0.00 H new ATOM 0 HA VAL A 34 75.299 5.937 0.844 1.00 0.00 H new ATOM 0 HB VAL A 34 75.118 3.302 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.567 3.603 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.140 3.468 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.507 5.061 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.963 4.652 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.908 6.113 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.400 5.273 3.686 1.00 0.00 H new ATOM 495 N GLN A 35 75.998 4.510 -1.078 1.00 0.00 N ATOM 496 CA GLN A 35 76.311 3.792 -2.311 1.00 0.00 C ATOM 497 C GLN A 35 77.765 3.338 -2.276 1.00 0.00 C ATOM 498 O GLN A 35 78.562 3.898 -1.527 1.00 0.00 O ATOM 499 CB GLN A 35 76.115 4.707 -3.521 1.00 0.00 C ATOM 500 CG GLN A 35 77.117 5.864 -3.490 1.00 0.00 C ATOM 501 CD GLN A 35 76.673 6.963 -4.448 1.00 0.00 C ATOM 502 OE1 GLN A 35 75.502 7.340 -4.458 1.00 0.00 O ATOM 503 NE2 GLN A 35 77.531 7.468 -5.290 1.00 0.00 N ATOM 0 H GLN A 35 76.585 5.328 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 35 75.646 2.932 -2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.240 4.135 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.098 5.100 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.195 6.262 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 35 78.108 5.506 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 35 78.501 7.154 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 35 77.232 8.177 -5.959 1.00 0.00 H new ATOM 512 N TRP A 36 78.073 2.250 -2.978 1.00 0.00 N ATOM 513 CA TRP A 36 79.430 1.712 -3.016 1.00 0.00 C ATOM 514 C TRP A 36 80.000 1.809 -4.428 1.00 0.00 C ATOM 515 O TRP A 36 79.301 1.573 -5.414 1.00 0.00 O ATOM 516 CB TRP A 36 79.426 0.248 -2.568 1.00 0.00 C ATOM 517 CG TRP A 36 79.106 0.175 -1.109 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.929 -0.252 -0.594 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.956 0.502 0.030 1.00 0.00 C ATOM 520 NE1 TRP A 36 78.006 -0.221 0.784 1.00 0.00 N ATOM 521 CE2 TRP A 36 79.211 0.292 1.218 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.258 1.018 0.151 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.763 0.529 2.481 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.832 1.207 1.416 1.00 0.00 C ATOM 525 CH2 TRP A 36 81.074 1.006 2.577 1.00 0.00 C ATOM 0 H TRP A 36 77.398 1.722 -3.530 1.00 0.00 H new ATOM 0 HA TRP A 36 80.053 2.297 -2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.691 -0.317 -3.141 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.398 -0.205 -2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 36 77.070 -0.566 -1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.262 -0.539 1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.820 1.270 -0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.183 0.345 3.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.866 1.510 1.496 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.502 1.219 3.545 1.00 0.00 H new ATOM 536 N TYR A 37 81.291 2.115 -4.508 1.00 0.00 N ATOM 537 CA TYR A 37 81.981 2.247 -5.787 1.00 0.00 C ATOM 538 C TYR A 37 83.366 1.615 -5.697 1.00 0.00 C ATOM 539 O TYR A 37 84.000 1.619 -4.641 1.00 0.00 O ATOM 540 CB TYR A 37 82.102 3.729 -6.156 1.00 0.00 C ATOM 541 CG TYR A 37 80.831 4.206 -6.816 1.00 0.00 C ATOM 542 CD1 TYR A 37 79.704 4.491 -6.037 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.782 4.363 -8.205 1.00 0.00 C ATOM 544 CE1 TYR A 37 78.539 4.966 -6.649 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.624 4.859 -8.814 1.00 0.00 C ATOM 546 CZ TYR A 37 78.501 5.157 -8.034 1.00 0.00 C ATOM 547 OH TYR A 37 77.350 5.625 -8.631 1.00 0.00 O ATOM 0 H TYR A 37 81.885 2.277 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 37 81.409 1.733 -6.559 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.300 4.319 -5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 37 82.947 3.876 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 37 79.733 4.345 -4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 37 81.639 4.101 -8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.667 5.186 -6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 37 79.597 5.011 -9.883 1.00 0.00 H new ATOM 0 HH TYR A 37 77.085 5.017 -9.352 1.00 0.00 H new ATOM 557 N GLN A 38 83.838 1.092 -6.824 1.00 0.00 N ATOM 558 CA GLN A 38 85.156 0.470 -6.890 1.00 0.00 C ATOM 559 C GLN A 38 85.906 1.029 -8.094 1.00 0.00 C ATOM 560 O GLN A 38 85.366 1.084 -9.198 1.00 0.00 O ATOM 561 CB GLN A 38 85.048 -1.060 -6.996 1.00 0.00 C ATOM 562 CG GLN A 38 83.589 -1.516 -7.092 1.00 0.00 C ATOM 563 CD GLN A 38 82.933 -1.450 -5.717 1.00 0.00 C ATOM 564 OE1 GLN A 38 82.044 -0.630 -5.482 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.265 -2.328 -4.809 1.00 0.00 N ATOM 0 H GLN A 38 83.326 1.087 -7.706 1.00 0.00 H new ATOM 0 HA GLN A 38 85.699 0.698 -5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.596 -1.404 -7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.517 -1.520 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.046 -0.883 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.542 -2.534 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 38 84.001 -3.008 -5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 38 82.789 -2.334 -3.907 1.00 0.00 H new ATOM 574 N GLN A 39 87.205 1.244 -7.914 1.00 0.00 N ATOM 575 CA GLN A 39 88.054 1.743 -8.989 1.00 0.00 C ATOM 576 C GLN A 39 89.247 0.818 -9.195 1.00 0.00 C ATOM 577 O GLN A 39 89.868 0.361 -8.235 1.00 0.00 O ATOM 578 CB GLN A 39 88.563 3.146 -8.645 1.00 0.00 C ATOM 579 CG GLN A 39 89.510 3.659 -9.739 1.00 0.00 C ATOM 580 CD GLN A 39 89.111 5.060 -10.192 1.00 0.00 C ATOM 581 OE1 GLN A 39 89.791 6.038 -9.880 1.00 0.00 O ATOM 582 NE2 GLN A 39 87.999 5.217 -10.855 1.00 0.00 N ATOM 0 H GLN A 39 87.693 1.080 -7.033 1.00 0.00 H new ATOM 0 HA GLN A 39 87.464 1.780 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.720 3.828 -8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.082 3.126 -7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 39 90.533 3.672 -9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.491 2.978 -10.590 1.00 0.00 H new ATOM 0 HE21 GLN A 39 87.439 4.404 -11.111 1.00 0.00 H new ATOM 0 HE22 GLN A 39 87.689 6.153 -11.117 1.00 0.00 H new ATOM 591 N ARG A 40 89.541 0.520 -10.458 1.00 0.00 N ATOM 592 CA ARG A 40 90.655 -0.359 -10.806 1.00 0.00 C ATOM 593 C ARG A 40 91.611 0.353 -11.761 1.00 0.00 C ATOM 594 O ARG A 40 91.173 1.138 -12.603 1.00 0.00 O ATOM 595 CB ARG A 40 90.120 -1.645 -11.447 1.00 0.00 C ATOM 596 CG ARG A 40 88.735 -1.957 -10.877 1.00 0.00 C ATOM 597 CD ARG A 40 88.286 -3.347 -11.332 1.00 0.00 C ATOM 598 NE ARG A 40 87.911 -3.333 -12.741 1.00 0.00 N ATOM 599 CZ ARG A 40 86.765 -2.791 -13.138 1.00 0.00 C ATOM 600 NH1 ARG A 40 85.785 -2.635 -12.292 1.00 0.00 N ATOM 601 NH2 ARG A 40 86.613 -2.420 -14.378 1.00 0.00 N ATOM 0 H ARG A 40 89.021 0.876 -11.260 1.00 0.00 H new ATOM 0 HA ARG A 40 91.202 -0.617 -9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 40 90.062 -1.529 -12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 40 90.801 -2.473 -11.251 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.762 -1.912 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 40 88.018 -1.207 -11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 40 89.091 -4.065 -11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 40 87.440 -3.677 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 40 88.538 -3.745 -13.432 1.00 0.00 H new ATOM 0 HH11 ARG A 40 85.897 -2.930 -11.322 1.00 0.00 H new ATOM 0 HH12 ARG A 40 84.906 -2.218 -12.600 1.00 0.00 H new ATOM 0 HH21 ARG A 40 87.374 -2.546 -15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 40 85.733 -2.004 -14.682 1.00 0.00 H new ATOM 658 N PRO A 45 85.604 4.382 -12.079 1.00 0.00 N ATOM 659 CA PRO A 45 84.735 3.822 -11.005 1.00 0.00 C ATOM 660 C PRO A 45 83.471 3.180 -11.573 1.00 0.00 C ATOM 661 O PRO A 45 82.916 3.663 -12.561 1.00 0.00 O ATOM 662 CB PRO A 45 84.406 5.028 -10.114 1.00 0.00 C ATOM 663 CG PRO A 45 85.139 6.201 -10.684 1.00 0.00 C ATOM 664 CD PRO A 45 85.497 5.849 -12.128 1.00 0.00 C ATOM 0 HA PRO A 45 85.230 3.023 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.332 5.214 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.714 4.843 -9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.519 7.097 -10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.038 6.412 -10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 45 84.729 6.177 -12.828 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.432 6.314 -12.440 1.00 0.00 H new ATOM 672 N THR A 46 82.951 2.171 -10.879 1.00 0.00 N ATOM 673 CA THR A 46 81.711 1.518 -11.285 1.00 0.00 C ATOM 674 C THR A 46 80.777 1.364 -10.090 1.00 0.00 C ATOM 675 O THR A 46 81.148 0.782 -9.072 1.00 0.00 O ATOM 676 CB THR A 46 82.025 0.140 -11.871 1.00 0.00 C ATOM 677 OG1 THR A 46 83.067 0.260 -12.829 1.00 0.00 O ATOM 678 CG2 THR A 46 80.775 -0.424 -12.551 1.00 0.00 C ATOM 0 H THR A 46 83.370 1.788 -10.032 1.00 0.00 H new ATOM 0 HA THR A 46 81.220 2.133 -12.039 1.00 0.00 H new ATOM 0 HB THR A 46 82.339 -0.531 -11.071 1.00 0.00 H new ATOM 0 HG1 THR A 46 83.270 -0.622 -13.204 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.999 -1.406 -12.968 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.973 -0.516 -11.819 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.462 0.247 -13.351 1.00 0.00 H new ATOM 686 N THR A 47 79.546 1.843 -10.236 1.00 0.00 N ATOM 687 CA THR A 47 78.560 1.708 -9.171 1.00 0.00 C ATOM 688 C THR A 47 78.246 0.237 -8.929 1.00 0.00 C ATOM 689 O THR A 47 77.653 -0.420 -9.788 1.00 0.00 O ATOM 690 CB THR A 47 77.276 2.449 -9.557 1.00 0.00 C ATOM 691 OG1 THR A 47 77.611 3.722 -10.088 1.00 0.00 O ATOM 692 CG2 THR A 47 76.384 2.620 -8.325 1.00 0.00 C ATOM 0 H THR A 47 79.210 2.323 -11.071 1.00 0.00 H new ATOM 0 HA THR A 47 78.968 2.140 -8.257 1.00 0.00 H new ATOM 0 HB THR A 47 76.736 1.872 -10.308 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.350 4.107 -9.572 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.473 3.148 -8.606 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.127 1.640 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 47 76.917 3.194 -7.567 1.00 0.00 H new ATOM 700 N VAL A 48 78.512 -0.249 -7.721 1.00 0.00 N ATOM 701 CA VAL A 48 78.262 -1.657 -7.415 1.00 0.00 C ATOM 702 C VAL A 48 76.965 -1.825 -6.626 1.00 0.00 C ATOM 703 O VAL A 48 76.271 -2.820 -6.823 1.00 0.00 O ATOM 704 CB VAL A 48 79.443 -2.199 -6.600 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.012 -3.260 -5.580 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.496 -2.826 -7.521 1.00 0.00 C ATOM 0 H VAL A 48 78.894 0.298 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 48 78.160 -2.212 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 48 79.859 -1.345 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.885 -3.611 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.295 -2.825 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.550 -4.099 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.325 -3.204 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.048 -3.648 -8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.865 -2.073 -8.217 1.00 0.00 H new ATOM 716 N ILE A 49 76.563 -0.832 -5.837 1.00 0.00 N ATOM 717 CA ILE A 49 75.302 -0.895 -5.114 1.00 0.00 C ATOM 718 C ILE A 49 74.720 0.512 -5.051 1.00 0.00 C ATOM 719 O ILE A 49 75.453 1.476 -4.825 1.00 0.00 O ATOM 720 CB ILE A 49 75.554 -1.483 -3.720 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.597 -3.013 -3.795 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.454 -1.041 -2.754 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.094 -3.594 -2.470 1.00 0.00 C ATOM 0 H ILE A 49 77.095 0.025 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 49 74.582 -1.541 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 49 76.514 -1.117 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.604 -3.401 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.254 -3.326 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.644 -1.465 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.445 0.047 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.488 -1.390 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.120 -4.682 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.096 -3.219 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.421 -3.296 -1.666 1.00 0.00 H new ATOM 735 N TYR A 50 73.396 0.599 -5.002 1.00 0.00 N ATOM 736 CA TYR A 50 72.721 1.877 -4.822 1.00 0.00 C ATOM 737 C TYR A 50 71.592 1.729 -3.808 1.00 0.00 C ATOM 738 O TYR A 50 71.334 0.623 -3.336 1.00 0.00 O ATOM 739 CB TYR A 50 72.189 2.360 -6.172 1.00 0.00 C ATOM 740 CG TYR A 50 71.353 3.601 -5.967 1.00 0.00 C ATOM 741 CD1 TYR A 50 71.977 4.799 -5.603 1.00 0.00 C ATOM 742 CD2 TYR A 50 69.960 3.550 -6.103 1.00 0.00 C ATOM 743 CE1 TYR A 50 71.210 5.952 -5.400 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.192 4.702 -5.895 1.00 0.00 C ATOM 745 CZ TYR A 50 69.823 5.913 -5.584 1.00 0.00 C ATOM 746 OH TYR A 50 69.072 7.049 -5.362 1.00 0.00 O ATOM 0 H TYR A 50 72.769 -0.201 -5.085 1.00 0.00 H new ATOM 0 HA TYR A 50 73.423 2.617 -4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.018 2.574 -6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.591 1.578 -6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.049 4.834 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.478 2.621 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 50 71.689 6.873 -5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.116 4.657 -5.974 1.00 0.00 H new ATOM 0 HH TYR A 50 68.127 6.855 -5.535 1.00 0.00 H new ATOM 756 N GLU A 51 71.107 2.852 -3.297 1.00 0.00 N ATOM 757 CA GLU A 51 70.141 2.841 -2.204 1.00 0.00 C ATOM 758 C GLU A 51 70.558 1.844 -1.126 1.00 0.00 C ATOM 759 O GLU A 51 69.730 1.200 -0.482 1.00 0.00 O ATOM 760 CB GLU A 51 68.798 2.393 -2.795 1.00 0.00 C ATOM 761 CG GLU A 51 67.661 2.516 -1.770 1.00 0.00 C ATOM 762 CD GLU A 51 66.664 3.597 -2.179 1.00 0.00 C ATOM 763 OE1 GLU A 51 65.906 3.363 -3.104 1.00 0.00 O ATOM 764 OE2 GLU A 51 66.735 4.675 -1.614 1.00 0.00 O ATOM 0 H GLU A 51 71.366 3.784 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 51 70.078 3.831 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.566 2.998 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 51 68.875 1.359 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.147 1.560 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.075 2.752 -0.790 1.00 0.00 H new ATOM 771 N ASP A 52 71.857 1.578 -1.094 1.00 0.00 N ATOM 772 CA ASP A 52 72.442 0.601 -0.184 1.00 0.00 C ATOM 773 C ASP A 52 71.587 -0.662 -0.154 1.00 0.00 C ATOM 774 O ASP A 52 71.801 -1.541 0.682 1.00 0.00 O ATOM 775 CB ASP A 52 72.488 1.203 1.226 1.00 0.00 C ATOM 776 CG ASP A 52 73.440 0.412 2.113 1.00 0.00 C ATOM 777 OD1 ASP A 52 73.843 -0.663 1.705 1.00 0.00 O ATOM 778 OD2 ASP A 52 73.688 0.852 3.222 1.00 0.00 O ATOM 0 H ASP A 52 72.538 2.035 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 52 73.446 0.348 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 52 72.810 2.243 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 52 71.489 1.200 1.662 1.00 0.00 H new ATOM 783 N ASN A 53 70.775 -0.848 -1.192 1.00 0.00 N ATOM 784 CA ASN A 53 70.055 -2.094 -1.425 1.00 0.00 C ATOM 785 C ASN A 53 70.309 -2.578 -2.848 1.00 0.00 C ATOM 786 O ASN A 53 70.366 -3.779 -3.114 1.00 0.00 O ATOM 787 CB ASN A 53 68.574 -1.839 -1.124 1.00 0.00 C ATOM 788 CG ASN A 53 67.647 -2.719 -1.957 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.432 -3.886 -1.630 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.074 -2.212 -3.013 1.00 0.00 N ATOM 0 H ASN A 53 70.598 -0.133 -1.898 1.00 0.00 H new ATOM 0 HA ASN A 53 70.402 -2.893 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.386 -2.019 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.343 -0.791 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.443 -2.783 -3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.257 -1.244 -3.277 1.00 0.00 H new ATOM 797 N GLN A 54 70.198 -1.633 -3.778 1.00 0.00 N ATOM 798 CA GLN A 54 70.156 -1.969 -5.195 1.00 0.00 C ATOM 799 C GLN A 54 71.332 -2.887 -5.527 1.00 0.00 C ATOM 800 O GLN A 54 72.472 -2.599 -5.163 1.00 0.00 O ATOM 801 CB GLN A 54 70.219 -0.685 -6.034 1.00 0.00 C ATOM 802 CG GLN A 54 68.961 -0.489 -6.883 1.00 0.00 C ATOM 803 CD GLN A 54 67.736 -0.425 -5.977 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.602 -0.400 -6.456 1.00 0.00 O ATOM 805 NE2 GLN A 54 67.909 -0.353 -4.686 1.00 0.00 N ATOM 0 H GLN A 54 70.136 -0.635 -3.576 1.00 0.00 H new ATOM 0 HA GLN A 54 69.225 -2.486 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.347 0.173 -5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 54 71.093 -0.720 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.043 0.428 -7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.858 -1.310 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 54 68.851 -0.374 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 54 67.102 -0.275 -4.067 1.00 0.00 H new ATOM 814 N ARG A 55 71.054 -3.990 -6.217 1.00 0.00 N ATOM 815 CA ARG A 55 72.098 -4.910 -6.664 1.00 0.00 C ATOM 816 C ARG A 55 72.128 -4.944 -8.194 1.00 0.00 C ATOM 817 O ARG A 55 71.244 -5.548 -8.802 1.00 0.00 O ATOM 818 CB ARG A 55 71.807 -6.307 -6.092 1.00 0.00 C ATOM 819 CG ARG A 55 73.051 -6.913 -5.429 1.00 0.00 C ATOM 820 CD ARG A 55 73.243 -6.304 -4.036 1.00 0.00 C ATOM 821 NE ARG A 55 74.543 -6.667 -3.484 1.00 0.00 N ATOM 822 CZ ARG A 55 75.650 -6.601 -4.218 1.00 0.00 C ATOM 823 NH1 ARG A 55 75.833 -5.620 -5.060 1.00 0.00 N ATOM 824 NH2 ARG A 55 76.524 -7.563 -4.147 1.00 0.00 N ATOM 0 H ARG A 55 70.109 -4.270 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 55 73.073 -4.577 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.000 -6.242 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.462 -6.964 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 55 72.943 -7.995 -5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 55 73.931 -6.724 -6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 55 73.158 -5.219 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 55 72.452 -6.650 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 55 74.605 -6.978 -2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 55 75.123 -4.894 -5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 55 76.686 -5.579 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 55 76.357 -8.359 -3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.376 -7.520 -4.707 1.00 0.00 H new ATOM 838 N PRO A 56 73.127 -4.392 -8.836 1.00 0.00 N ATOM 839 CA PRO A 56 73.260 -4.484 -10.318 1.00 0.00 C ATOM 840 C PRO A 56 73.508 -5.920 -10.777 1.00 0.00 C ATOM 841 O PRO A 56 74.260 -6.662 -10.147 1.00 0.00 O ATOM 842 CB PRO A 56 74.442 -3.574 -10.684 1.00 0.00 C ATOM 843 CG PRO A 56 74.904 -2.919 -9.423 1.00 0.00 C ATOM 844 CD PRO A 56 74.258 -3.655 -8.248 1.00 0.00 C ATOM 0 HA PRO A 56 72.341 -4.172 -10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 56 75.248 -4.153 -11.134 1.00 0.00 H new ATOM 0 HB3 PRO A 56 74.139 -2.826 -11.417 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.991 -2.960 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.623 -1.866 -9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.965 -4.333 -7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.919 -2.957 -7.483 1.00 0.00 H new ATOM 852 N SER A 57 72.995 -6.246 -11.958 1.00 0.00 N ATOM 853 CA SER A 57 73.200 -7.572 -12.531 1.00 0.00 C ATOM 854 C SER A 57 74.647 -7.753 -12.975 1.00 0.00 C ATOM 855 O SER A 57 75.231 -8.823 -12.807 1.00 0.00 O ATOM 856 CB SER A 57 72.269 -7.772 -13.727 1.00 0.00 C ATOM 857 OG SER A 57 72.506 -6.750 -14.682 1.00 0.00 O ATOM 0 H SER A 57 72.438 -5.615 -12.534 1.00 0.00 H new ATOM 0 HA SER A 57 72.975 -8.314 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.439 -8.751 -14.175 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.229 -7.747 -13.401 1.00 0.00 H new ATOM 0 HG SER A 57 71.912 -6.877 -15.451 1.00 0.00 H new ATOM 863 N GLY A 58 75.239 -6.684 -13.492 1.00 0.00 N ATOM 864 CA GLY A 58 76.621 -6.748 -13.948 1.00 0.00 C ATOM 865 C GLY A 58 77.529 -7.232 -12.822 1.00 0.00 C ATOM 866 O GLY A 58 78.463 -7.998 -13.060 1.00 0.00 O ATOM 0 H GLY A 58 74.791 -5.774 -13.605 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.698 -7.421 -14.802 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.945 -5.764 -14.288 1.00 0.00 H new ATOM 870 N VAL A 59 77.310 -6.713 -11.617 1.00 0.00 N ATOM 871 CA VAL A 59 78.103 -7.103 -10.453 1.00 0.00 C ATOM 872 C VAL A 59 77.362 -8.159 -9.633 1.00 0.00 C ATOM 873 O VAL A 59 76.212 -7.925 -9.261 1.00 0.00 O ATOM 874 CB VAL A 59 78.401 -5.864 -9.602 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.714 -4.700 -10.546 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.210 -5.499 -8.712 1.00 0.00 C ATOM 0 H VAL A 59 76.588 -6.020 -11.420 1.00 0.00 H new ATOM 0 HA VAL A 59 79.045 -7.538 -10.787 1.00 0.00 H new ATOM 0 HB VAL A 59 79.249 -6.074 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.930 -3.806 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.580 -4.951 -11.158 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.855 -4.514 -11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.454 -4.616 -8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.341 -5.290 -9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.986 -6.331 -8.045 1.00 0.00 H new ATOM 886 N PRO A 60 77.958 -9.280 -9.311 1.00 0.00 N ATOM 887 CA PRO A 60 77.260 -10.327 -8.511 1.00 0.00 C ATOM 888 C PRO A 60 76.885 -9.826 -7.116 1.00 0.00 C ATOM 889 O PRO A 60 77.444 -8.846 -6.625 1.00 0.00 O ATOM 890 CB PRO A 60 78.235 -11.509 -8.435 1.00 0.00 C ATOM 891 CG PRO A 60 79.437 -11.165 -9.256 1.00 0.00 C ATOM 892 CD PRO A 60 79.277 -9.735 -9.781 1.00 0.00 C ATOM 0 HA PRO A 60 76.317 -10.612 -8.978 1.00 0.00 H new ATOM 0 HB2 PRO A 60 78.521 -11.702 -7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 60 77.764 -12.417 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 60 80.342 -11.248 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 60 79.541 -11.864 -10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.070 -9.089 -9.404 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.335 -9.709 -10.869 1.00 0.00 H new ATOM 900 N ASP A 61 75.954 -10.528 -6.475 1.00 0.00 N ATOM 901 CA ASP A 61 75.522 -10.175 -5.125 1.00 0.00 C ATOM 902 C ASP A 61 76.684 -10.226 -4.137 1.00 0.00 C ATOM 903 O ASP A 61 76.473 -10.109 -2.930 1.00 0.00 O ATOM 904 CB ASP A 61 74.402 -11.103 -4.647 1.00 0.00 C ATOM 905 CG ASP A 61 73.786 -10.533 -3.371 1.00 0.00 C ATOM 906 OD1 ASP A 61 74.065 -9.387 -3.059 1.00 0.00 O ATOM 907 OD2 ASP A 61 73.050 -11.257 -2.719 1.00 0.00 O ATOM 0 H ASP A 61 75.485 -11.344 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 61 75.144 -9.153 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.640 -11.201 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 61 74.796 -12.102 -4.460 1.00 0.00 H new ATOM 912 N ARG A 62 77.888 -10.497 -4.629 1.00 0.00 N ATOM 913 CA ARG A 62 79.038 -10.669 -3.750 1.00 0.00 C ATOM 914 C ARG A 62 79.134 -9.545 -2.723 1.00 0.00 C ATOM 915 O ARG A 62 79.655 -9.749 -1.626 1.00 0.00 O ATOM 916 CB ARG A 62 80.316 -10.709 -4.589 1.00 0.00 C ATOM 917 CG ARG A 62 80.578 -9.332 -5.206 1.00 0.00 C ATOM 918 CD ARG A 62 81.595 -9.448 -6.348 1.00 0.00 C ATOM 919 NE ARG A 62 82.422 -10.640 -6.193 1.00 0.00 N ATOM 920 CZ ARG A 62 83.634 -10.586 -5.646 1.00 0.00 C ATOM 921 NH1 ARG A 62 84.637 -10.080 -6.309 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.821 -11.031 -4.435 1.00 0.00 N ATOM 0 H ARG A 62 78.092 -10.602 -5.623 1.00 0.00 H new ATOM 0 HA ARG A 62 78.914 -11.607 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 62 81.161 -11.005 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 62 80.222 -11.458 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 62 79.646 -8.910 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.953 -8.649 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.072 -9.486 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.229 -8.561 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 62 82.061 -11.539 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 62 84.495 -9.722 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 62 85.563 -10.042 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.039 -11.420 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.749 -10.990 -4.014 1.00 0.00 H new ATOM 936 N PHE A 63 78.619 -8.364 -3.055 1.00 0.00 N ATOM 937 CA PHE A 63 78.644 -7.241 -2.120 1.00 0.00 C ATOM 938 C PHE A 63 77.366 -7.203 -1.291 1.00 0.00 C ATOM 939 O PHE A 63 76.271 -7.394 -1.816 1.00 0.00 O ATOM 940 CB PHE A 63 78.790 -5.914 -2.870 1.00 0.00 C ATOM 941 CG PHE A 63 79.938 -6.006 -3.847 1.00 0.00 C ATOM 942 CD1 PHE A 63 81.210 -5.573 -3.456 1.00 0.00 C ATOM 943 CD2 PHE A 63 79.702 -6.371 -5.177 1.00 0.00 C ATOM 944 CE1 PHE A 63 82.270 -5.609 -4.370 1.00 0.00 C ATOM 945 CE2 PHE A 63 80.767 -6.429 -6.085 1.00 0.00 C ATOM 946 CZ PHE A 63 82.057 -6.067 -5.677 1.00 0.00 C ATOM 0 H PHE A 63 78.183 -8.160 -3.954 1.00 0.00 H new ATOM 0 HA PHE A 63 79.501 -7.380 -1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.866 -5.681 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.965 -5.103 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.374 -5.212 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 63 78.700 -6.608 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 63 83.254 -5.283 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 63 80.593 -6.753 -7.100 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.884 -6.141 -6.367 1.00 0.00 H new ATOM 956 N SER A 64 77.497 -6.965 0.011 1.00 0.00 N ATOM 957 CA SER A 64 76.324 -6.875 0.874 1.00 0.00 C ATOM 958 C SER A 64 76.287 -5.564 1.649 1.00 0.00 C ATOM 959 O SER A 64 76.981 -5.433 2.653 1.00 0.00 O ATOM 960 CB SER A 64 76.292 -8.066 1.836 1.00 0.00 C ATOM 961 OG SER A 64 74.952 -8.369 2.196 1.00 0.00 O ATOM 0 H SER A 64 78.390 -6.833 0.486 1.00 0.00 H new ATOM 0 HA SER A 64 75.439 -6.900 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.756 -8.934 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.874 -7.837 2.729 1.00 0.00 H new ATOM 0 HG SER A 64 74.943 -9.133 2.810 1.00 0.00 H new ATOM 967 N GLY A 65 75.173 -4.866 1.461 1.00 0.00 N ATOM 968 CA GLY A 65 74.934 -3.579 2.098 1.00 0.00 C ATOM 969 C GLY A 65 73.853 -3.687 3.165 1.00 0.00 C ATOM 970 O GLY A 65 72.869 -4.405 2.991 1.00 0.00 O ATOM 0 H GLY A 65 74.409 -5.178 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.858 -3.215 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.636 -2.848 1.347 1.00 0.00 H new ATOM 974 N SER A 66 74.146 -3.138 4.338 1.00 0.00 N ATOM 975 CA SER A 66 73.212 -3.221 5.453 1.00 0.00 C ATOM 976 C SER A 66 73.527 -2.176 6.515 1.00 0.00 C ATOM 977 O SER A 66 74.508 -1.441 6.417 1.00 0.00 O ATOM 978 CB SER A 66 73.278 -4.608 6.089 1.00 0.00 C ATOM 979 OG SER A 66 74.417 -4.683 6.932 1.00 0.00 O ATOM 0 H SER A 66 75.011 -2.637 4.540 1.00 0.00 H new ATOM 0 HA SER A 66 72.212 -3.036 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.372 -4.801 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.333 -5.373 5.315 1.00 0.00 H new ATOM 0 HG SER A 66 74.462 -5.571 7.343 1.00 0.00 H new ATOM 985 N ILE A 67 72.632 -2.077 7.491 1.00 0.00 N ATOM 986 CA ILE A 67 72.743 -1.063 8.531 1.00 0.00 C ATOM 987 C ILE A 67 72.138 -1.576 9.835 1.00 0.00 C ATOM 988 O ILE A 67 71.699 -2.725 9.893 1.00 0.00 O ATOM 989 CB ILE A 67 71.989 0.195 8.097 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.547 -0.168 7.713 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.709 0.855 6.917 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.590 0.960 8.106 1.00 0.00 C ATOM 0 H ILE A 67 71.820 -2.688 7.583 1.00 0.00 H new ATOM 0 HA ILE A 67 73.797 -0.834 8.687 1.00 0.00 H new ATOM 0 HB ILE A 67 71.962 0.902 8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.484 -0.349 6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.253 -1.092 8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.166 1.750 6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.721 1.128 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.753 0.157 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.572 0.687 7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.640 1.121 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.875 1.876 7.588 1.00 0.00 H new ATOM 1004 N ASP A 68 72.480 -0.900 10.926 1.00 0.00 N ATOM 1005 CA ASP A 68 71.915 -1.206 12.237 1.00 0.00 C ATOM 1006 C ASP A 68 70.928 -0.145 12.715 1.00 0.00 C ATOM 1007 O ASP A 68 71.096 1.041 12.432 1.00 0.00 O ATOM 1008 CB ASP A 68 73.063 -1.391 13.230 1.00 0.00 C ATOM 1009 CG ASP A 68 74.174 -2.178 12.541 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.849 -3.070 11.773 1.00 0.00 O ATOM 1011 OD2 ASP A 68 75.324 -1.800 12.696 1.00 0.00 O ATOM 0 H ASP A 68 73.150 -0.131 10.929 1.00 0.00 H new ATOM 0 HA ASP A 68 71.338 -2.128 12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.435 -0.423 13.564 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.716 -1.922 14.116 1.00 0.00 H new ATOM 1016 N SER A 69 69.978 -0.552 13.554 1.00 0.00 N ATOM 1017 CA SER A 69 69.044 0.395 14.156 1.00 0.00 C ATOM 1018 C SER A 69 69.772 1.311 15.136 1.00 0.00 C ATOM 1019 O SER A 69 69.189 2.244 15.687 1.00 0.00 O ATOM 1020 CB SER A 69 67.939 -0.363 14.896 1.00 0.00 C ATOM 1021 OG SER A 69 68.520 -1.297 15.796 1.00 0.00 O ATOM 0 H SER A 69 69.835 -1.523 13.830 1.00 0.00 H new ATOM 0 HA SER A 69 68.605 1.000 13.363 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.307 0.337 15.441 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.299 -0.881 14.182 1.00 0.00 H new ATOM 0 HG SER A 69 67.811 -1.780 16.270 1.00 0.00 H new ATOM 1027 N SER A 70 71.036 0.991 15.398 1.00 0.00 N ATOM 1028 CA SER A 70 71.847 1.799 16.301 1.00 0.00 C ATOM 1029 C SER A 70 71.983 3.226 15.780 1.00 0.00 C ATOM 1030 O SER A 70 72.028 4.176 16.563 1.00 0.00 O ATOM 1031 CB SER A 70 73.228 1.161 16.455 1.00 0.00 C ATOM 1032 OG SER A 70 73.109 -0.016 17.241 1.00 0.00 O ATOM 0 H SER A 70 71.517 0.184 15.001 1.00 0.00 H new ATOM 0 HA SER A 70 71.354 1.839 17.273 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.642 0.920 15.476 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.916 1.862 16.928 1.00 0.00 H new ATOM 0 HG SER A 70 73.991 -0.432 17.343 1.00 0.00 H new ATOM 1038 N SER A 71 72.217 3.355 14.478 1.00 0.00 N ATOM 1039 CA SER A 71 72.393 4.668 13.870 1.00 0.00 C ATOM 1040 C SER A 71 73.801 5.192 14.131 1.00 0.00 C ATOM 1041 O SER A 71 73.974 6.369 14.450 1.00 0.00 O ATOM 1042 CB SER A 71 71.333 5.649 14.382 1.00 0.00 C ATOM 1043 OG SER A 71 70.131 4.934 14.628 1.00 0.00 O ATOM 0 H SER A 71 72.289 2.572 13.828 1.00 0.00 H new ATOM 0 HA SER A 71 72.263 4.571 12.792 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.677 6.134 15.295 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.161 6.436 13.648 1.00 0.00 H new ATOM 0 HG SER A 71 69.445 5.551 14.958 1.00 0.00 H new ATOM 1049 N ASN A 72 74.737 4.262 14.299 1.00 0.00 N ATOM 1050 CA ASN A 72 76.104 4.607 14.672 1.00 0.00 C ATOM 1051 C ASN A 72 77.001 4.614 13.439 1.00 0.00 C ATOM 1052 O ASN A 72 77.912 5.434 13.329 1.00 0.00 O ATOM 1053 CB ASN A 72 76.637 3.591 15.683 1.00 0.00 C ATOM 1054 CG ASN A 72 77.848 4.157 16.418 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.964 5.372 16.571 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.754 3.350 16.899 1.00 0.00 N ATOM 0 H ASN A 72 74.573 3.262 14.182 1.00 0.00 H new ATOM 0 HA ASN A 72 76.105 5.601 15.119 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.855 3.337 16.399 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.913 2.669 15.171 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.558 3.727 17.401 1.00 0.00 H new ATOM 0 HD22 ASN A 72 78.658 2.342 16.772 1.00 0.00 H new ATOM 1063 N SER A 73 76.753 3.684 12.522 1.00 0.00 N ATOM 1064 CA SER A 73 77.518 3.658 11.280 1.00 0.00 C ATOM 1065 C SER A 73 76.861 2.755 10.240 1.00 0.00 C ATOM 1066 O SER A 73 76.215 1.773 10.606 1.00 0.00 O ATOM 1067 CB SER A 73 78.944 3.189 11.566 1.00 0.00 C ATOM 1068 OG SER A 73 78.926 1.823 11.948 1.00 0.00 O ATOM 0 H SER A 73 76.046 2.954 12.611 1.00 0.00 H new ATOM 0 HA SER A 73 77.543 4.668 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.566 3.322 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.385 3.793 12.359 1.00 0.00 H new ATOM 0 HG SER A 73 79.841 1.522 12.130 1.00 0.00 H new ATOM 1074 N ALA A 74 77.306 2.858 8.989 1.00 0.00 N ATOM 1075 CA ALA A 74 76.744 2.031 7.924 1.00 0.00 C ATOM 1076 C ALA A 74 77.765 0.984 7.493 1.00 0.00 C ATOM 1077 O ALA A 74 78.961 1.270 7.425 1.00 0.00 O ATOM 1078 CB ALA A 74 76.399 2.900 6.712 1.00 0.00 C ATOM 0 H ALA A 74 78.044 3.496 8.691 1.00 0.00 H new ATOM 0 HA ALA A 74 75.843 1.545 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 74 75.981 2.275 5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.669 3.655 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.302 3.390 6.347 1.00 0.00 H new ATOM 1084 N SER A 75 77.307 -0.264 7.442 1.00 0.00 N ATOM 1085 CA SER A 75 78.209 -1.406 7.277 1.00 0.00 C ATOM 1086 C SER A 75 77.746 -2.397 6.213 1.00 0.00 C ATOM 1087 O SER A 75 76.545 -2.472 5.968 1.00 0.00 O ATOM 1088 CB SER A 75 78.320 -2.174 8.595 1.00 0.00 C ATOM 1089 OG SER A 75 78.692 -1.291 9.641 1.00 0.00 O ATOM 0 H SER A 75 76.320 -0.512 7.512 1.00 0.00 H new ATOM 0 HA SER A 75 79.165 -0.986 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 75 77.367 -2.649 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.058 -2.970 8.500 1.00 0.00 H new ATOM 0 HG SER A 75 78.759 -1.790 10.482 1.00 0.00 H new ATOM 1095 N LEU A 76 78.631 -2.599 5.244 1.00 0.00 N ATOM 1096 CA LEU A 76 78.528 -3.654 4.239 1.00 0.00 C ATOM 1097 C LEU A 76 79.299 -4.933 4.569 1.00 0.00 C ATOM 1098 O LEU A 76 80.478 -4.858 4.904 1.00 0.00 O ATOM 1099 CB LEU A 76 78.877 -3.061 2.871 1.00 0.00 C ATOM 1100 CG LEU A 76 79.542 -4.100 1.960 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.370 -3.654 0.502 1.00 0.00 C ATOM 1102 CD2 LEU A 76 81.021 -4.245 2.349 1.00 0.00 C ATOM 0 H LEU A 76 79.463 -2.019 5.131 1.00 0.00 H new ATOM 0 HA LEU A 76 77.496 -4.005 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.972 -2.685 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.545 -2.210 3.002 1.00 0.00 H new ATOM 0 HG LEU A 76 79.075 -5.078 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.838 -4.383 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.308 -3.580 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.841 -2.681 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.496 -4.983 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.523 -3.285 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.094 -4.570 3.387 1.00 0.00 H new ATOM 1114 N THR A 77 78.726 -6.097 4.260 1.00 0.00 N ATOM 1115 CA THR A 77 79.478 -7.354 4.229 1.00 0.00 C ATOM 1116 C THR A 77 79.748 -7.863 2.809 1.00 0.00 C ATOM 1117 O THR A 77 78.856 -8.353 2.121 1.00 0.00 O ATOM 1118 CB THR A 77 78.667 -8.382 5.020 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.767 -8.088 6.405 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.146 -9.814 4.766 1.00 0.00 C ATOM 0 H THR A 77 77.738 -6.196 4.026 1.00 0.00 H new ATOM 0 HA THR A 77 80.461 -7.188 4.669 1.00 0.00 H new ATOM 0 HB THR A 77 77.631 -8.318 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.613 -7.625 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.541 -10.509 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.048 -10.048 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.191 -9.906 5.062 1.00 0.00 H new ATOM 1128 N ILE A 78 81.022 -8.106 2.523 1.00 0.00 N ATOM 1129 CA ILE A 78 81.419 -8.758 1.278 1.00 0.00 C ATOM 1130 C ILE A 78 81.389 -10.275 1.435 1.00 0.00 C ATOM 1131 O ILE A 78 82.212 -10.846 2.151 1.00 0.00 O ATOM 1132 CB ILE A 78 82.838 -8.345 0.881 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.977 -6.823 0.829 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.195 -8.905 -0.497 1.00 0.00 C ATOM 1135 CD1 ILE A 78 81.867 -6.219 -0.033 1.00 0.00 C ATOM 0 H ILE A 78 81.799 -7.861 3.136 1.00 0.00 H new ATOM 0 HA ILE A 78 80.714 -8.450 0.506 1.00 0.00 H new ATOM 0 HB ILE A 78 83.513 -8.747 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 78 82.929 -6.412 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 78 83.951 -6.553 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.208 -8.601 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.137 -9.993 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.495 -8.520 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 78 81.978 -5.135 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 78 81.935 -6.618 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 78 80.896 -6.474 0.393 1.00 0.00 H new ATOM 1147 N SER A 79 80.621 -10.932 0.569 1.00 0.00 N ATOM 1148 CA SER A 79 80.550 -12.391 0.548 1.00 0.00 C ATOM 1149 C SER A 79 81.159 -12.939 -0.739 1.00 0.00 C ATOM 1150 O SER A 79 80.779 -12.538 -1.840 1.00 0.00 O ATOM 1151 CB SER A 79 79.089 -12.841 0.638 1.00 0.00 C ATOM 1152 OG SER A 79 78.994 -14.214 0.291 1.00 0.00 O ATOM 0 H SER A 79 80.036 -10.474 -0.131 1.00 0.00 H new ATOM 0 HA SER A 79 81.110 -12.774 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 79 78.710 -12.683 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.471 -12.242 -0.031 1.00 0.00 H new ATOM 0 HG SER A 79 78.059 -14.502 0.350 1.00 0.00 H new ATOM 1158 N GLY A 80 82.090 -13.877 -0.589 1.00 0.00 N ATOM 1159 CA GLY A 80 82.736 -14.487 -1.746 1.00 0.00 C ATOM 1160 C GLY A 80 83.824 -13.574 -2.303 1.00 0.00 C ATOM 1161 O GLY A 80 83.956 -13.419 -3.517 1.00 0.00 O ATOM 0 H GLY A 80 82.411 -14.228 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.170 -15.446 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 80 81.994 -14.689 -2.518 1.00 0.00 H new ATOM 1165 N LEU A 81 84.622 -12.998 -1.408 1.00 0.00 N ATOM 1166 CA LEU A 81 85.726 -12.140 -1.822 1.00 0.00 C ATOM 1167 C LEU A 81 86.766 -12.945 -2.594 1.00 0.00 C ATOM 1168 O LEU A 81 87.196 -14.011 -2.155 1.00 0.00 O ATOM 1169 CB LEU A 81 86.353 -11.489 -0.587 1.00 0.00 C ATOM 1170 CG LEU A 81 87.702 -10.830 -0.914 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.829 -9.491 -0.185 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.867 -11.730 -0.491 1.00 0.00 C ATOM 0 H LEU A 81 84.525 -13.109 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 81 85.348 -11.360 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.671 -10.740 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.494 -12.242 0.189 1.00 0.00 H new ATOM 0 HG LEU A 81 87.740 -10.672 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.789 -9.035 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.023 -8.828 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.765 -9.655 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.811 -11.241 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.816 -11.910 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.804 -12.680 -1.021 1.00 0.00 H new ATOM 1184 N LYS A 82 87.180 -12.405 -3.736 1.00 0.00 N ATOM 1185 CA LYS A 82 88.195 -13.046 -4.565 1.00 0.00 C ATOM 1186 C LYS A 82 89.093 -11.992 -5.204 1.00 0.00 C ATOM 1187 O LYS A 82 88.845 -10.792 -5.089 1.00 0.00 O ATOM 1188 CB LYS A 82 87.508 -13.891 -5.647 1.00 0.00 C ATOM 1189 CG LYS A 82 88.129 -15.289 -5.728 1.00 0.00 C ATOM 1190 CD LYS A 82 87.322 -16.161 -6.690 1.00 0.00 C ATOM 1191 CE LYS A 82 88.022 -17.509 -6.863 1.00 0.00 C ATOM 1192 NZ LYS A 82 87.956 -18.279 -5.589 1.00 0.00 N ATOM 0 H LYS A 82 86.828 -11.524 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 82 88.814 -13.694 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.444 -13.974 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.596 -13.393 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.163 -15.218 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.149 -15.746 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.313 -16.310 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.224 -15.663 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 82 87.549 -18.075 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 82 89.062 -17.355 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 88.214 -19.270 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 88.618 -17.868 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.989 -18.237 -5.207 1.00 0.00 H new ATOM 1206 N THR A 83 90.126 -12.458 -5.897 1.00 0.00 N ATOM 1207 CA THR A 83 91.013 -11.557 -6.622 1.00 0.00 C ATOM 1208 C THR A 83 90.183 -10.547 -7.408 1.00 0.00 C ATOM 1209 O THR A 83 90.696 -9.530 -7.875 1.00 0.00 O ATOM 1210 CB THR A 83 91.909 -12.350 -7.577 1.00 0.00 C ATOM 1211 OG1 THR A 83 91.232 -12.539 -8.811 1.00 0.00 O ATOM 1212 CG2 THR A 83 92.240 -13.716 -6.971 1.00 0.00 C ATOM 0 H THR A 83 90.368 -13.446 -5.972 1.00 0.00 H new ATOM 0 HA THR A 83 91.645 -11.029 -5.908 1.00 0.00 H new ATOM 0 HB THR A 83 92.833 -11.796 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 83 91.805 -13.045 -9.424 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.878 -14.273 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 83 92.760 -13.577 -6.023 1.00 0.00 H new ATOM 0 HG23 THR A 83 91.318 -14.271 -6.800 1.00 0.00 H new ATOM 1220 N GLU A 84 88.929 -10.911 -7.658 1.00 0.00 N ATOM 1221 CA GLU A 84 88.007 -10.023 -8.355 1.00 0.00 C ATOM 1222 C GLU A 84 87.639 -8.823 -7.489 1.00 0.00 C ATOM 1223 O GLU A 84 87.674 -7.685 -7.958 1.00 0.00 O ATOM 1224 CB GLU A 84 86.744 -10.798 -8.733 1.00 0.00 C ATOM 1225 CG GLU A 84 87.069 -11.790 -9.852 1.00 0.00 C ATOM 1226 CD GLU A 84 87.348 -11.047 -11.155 1.00 0.00 C ATOM 1227 OE1 GLU A 84 86.528 -10.230 -11.537 1.00 0.00 O ATOM 1228 OE2 GLU A 84 88.397 -11.282 -11.732 1.00 0.00 O ATOM 0 H GLU A 84 88.530 -11.811 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 84 88.497 -9.652 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.356 -11.329 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.965 -10.108 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.936 -12.390 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 84 86.236 -12.479 -9.990 1.00 0.00 H new ATOM 1235 N ASP A 85 87.379 -9.060 -6.207 1.00 0.00 N ATOM 1236 CA ASP A 85 87.061 -7.959 -5.306 1.00 0.00 C ATOM 1237 C ASP A 85 88.292 -7.083 -5.079 1.00 0.00 C ATOM 1238 O ASP A 85 88.204 -6.033 -4.442 1.00 0.00 O ATOM 1239 CB ASP A 85 86.539 -8.522 -3.979 1.00 0.00 C ATOM 1240 CG ASP A 85 85.019 -8.664 -3.970 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.371 -8.162 -4.874 1.00 0.00 O ATOM 1242 OD2 ASP A 85 84.516 -9.216 -3.005 1.00 0.00 O ATOM 0 H ASP A 85 87.382 -9.984 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 85 86.287 -7.337 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.994 -9.495 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 85 86.846 -7.868 -3.163 1.00 0.00 H new ATOM 1247 N GLU A 86 89.432 -7.509 -5.614 1.00 0.00 N ATOM 1248 CA GLU A 86 90.658 -6.735 -5.466 1.00 0.00 C ATOM 1249 C GLU A 86 90.501 -5.370 -6.124 1.00 0.00 C ATOM 1250 O GLU A 86 90.340 -5.277 -7.341 1.00 0.00 O ATOM 1251 CB GLU A 86 91.828 -7.485 -6.107 1.00 0.00 C ATOM 1252 CG GLU A 86 93.148 -6.872 -5.636 1.00 0.00 C ATOM 1253 CD GLU A 86 94.322 -7.688 -6.168 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.111 -8.468 -7.082 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.418 -7.509 -5.664 1.00 0.00 O ATOM 0 H GLU A 86 89.532 -8.373 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 86 90.859 -6.595 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.788 -8.540 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.757 -7.431 -7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.224 -5.841 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.177 -6.845 -4.547 1.00 0.00 H new ATOM 1262 N ALA A 87 90.666 -4.310 -5.336 1.00 0.00 N ATOM 1263 CA ALA A 87 90.595 -2.948 -5.861 1.00 0.00 C ATOM 1264 C ALA A 87 90.329 -1.953 -4.734 1.00 0.00 C ATOM 1265 O ALA A 87 90.321 -2.320 -3.559 1.00 0.00 O ATOM 1266 CB ALA A 87 89.500 -2.834 -6.930 1.00 0.00 C ATOM 0 H ALA A 87 90.849 -4.367 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 87 91.555 -2.712 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.465 -1.812 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.721 -3.516 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.536 -3.093 -6.492 1.00 0.00 H new ATOM 1272 N ASP A 88 90.227 -0.680 -5.106 1.00 0.00 N ATOM 1273 CA ASP A 88 89.902 0.379 -4.157 1.00 0.00 C ATOM 1274 C ASP A 88 88.393 0.522 -3.987 1.00 0.00 C ATOM 1275 O ASP A 88 87.630 0.124 -4.865 1.00 0.00 O ATOM 1276 CB ASP A 88 90.483 1.707 -4.644 1.00 0.00 C ATOM 1277 CG ASP A 88 92.006 1.633 -4.683 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.538 0.619 -4.264 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.616 2.568 -5.175 1.00 0.00 O ATOM 0 H ASP A 88 90.366 -0.356 -6.063 1.00 0.00 H new ATOM 0 HA ASP A 88 90.336 0.114 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.097 1.939 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.168 2.514 -3.983 1.00 0.00 H new ATOM 1284 N TYR A 89 87.963 0.979 -2.814 1.00 0.00 N ATOM 1285 CA TYR A 89 86.544 1.135 -2.510 1.00 0.00 C ATOM 1286 C TYR A 89 86.217 2.581 -2.142 1.00 0.00 C ATOM 1287 O TYR A 89 87.028 3.275 -1.530 1.00 0.00 O ATOM 1288 CB TYR A 89 86.170 0.207 -1.351 1.00 0.00 C ATOM 1289 CG TYR A 89 85.995 -1.210 -1.848 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.097 -1.918 -2.342 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.719 -1.785 -1.901 1.00 0.00 C ATOM 1292 CE1 TYR A 89 86.934 -3.219 -2.834 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.559 -3.102 -2.352 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.666 -3.814 -2.833 1.00 0.00 C ATOM 1295 OH TYR A 89 85.499 -5.082 -3.353 1.00 0.00 O ATOM 0 H TYR A 89 88.584 1.250 -2.052 1.00 0.00 H new ATOM 0 HA TYR A 89 85.967 0.873 -3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.946 0.238 -0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.248 0.552 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.075 -1.460 -2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.857 -1.212 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.786 -3.763 -3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.585 -3.567 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 89 86.354 -5.405 -3.707 1.00 0.00 H new ATOM 1305 N TYR A 90 85.017 3.023 -2.511 1.00 0.00 N ATOM 1306 CA TYR A 90 84.537 4.363 -2.185 1.00 0.00 C ATOM 1307 C TYR A 90 83.034 4.339 -1.904 1.00 0.00 C ATOM 1308 O TYR A 90 82.319 3.506 -2.464 1.00 0.00 O ATOM 1309 CB TYR A 90 84.840 5.307 -3.352 1.00 0.00 C ATOM 1310 CG TYR A 90 86.223 5.026 -3.893 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.442 3.903 -4.702 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.259 5.946 -3.692 1.00 0.00 C ATOM 1313 CE1 TYR A 90 87.728 3.620 -5.179 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.538 5.688 -4.205 1.00 0.00 C ATOM 1315 CZ TYR A 90 88.767 4.534 -4.964 1.00 0.00 C ATOM 1316 OH TYR A 90 90.026 4.278 -5.467 1.00 0.00 O ATOM 0 H TYR A 90 84.351 2.463 -3.044 1.00 0.00 H new ATOM 0 HA TYR A 90 85.047 4.717 -1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.098 5.176 -4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.773 6.343 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.617 3.254 -4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.073 6.856 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 90 87.918 2.700 -5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.346 6.379 -4.015 1.00 0.00 H new ATOM 0 HH TYR A 90 90.629 5.013 -5.229 1.00 0.00 H new ATOM 1326 N CYS A 91 82.550 5.221 -1.024 1.00 0.00 N ATOM 1327 CA CYS A 91 81.141 5.250 -0.630 1.00 0.00 C ATOM 1328 C CYS A 91 80.647 6.698 -0.649 1.00 0.00 C ATOM 1329 O CYS A 91 81.366 7.593 -0.202 1.00 0.00 O ATOM 1330 CB CYS A 91 80.911 4.511 0.713 1.00 0.00 C ATOM 1331 SG CYS A 91 80.995 5.473 2.264 1.00 0.00 S ATOM 0 H CYS A 91 83.122 5.931 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 91 80.537 4.697 -1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.929 4.040 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 91 81.646 3.709 0.780 1.00 0.00 H new ATOM 1336 N GLN A 92 79.418 6.939 -1.118 1.00 0.00 N ATOM 1337 CA GLN A 92 78.848 8.288 -1.122 1.00 0.00 C ATOM 1338 C GLN A 92 77.481 8.280 -0.441 1.00 0.00 C ATOM 1339 O GLN A 92 76.672 7.371 -0.638 1.00 0.00 O ATOM 1340 CB GLN A 92 78.729 8.841 -2.552 1.00 0.00 C ATOM 1341 CG GLN A 92 79.893 9.778 -2.891 1.00 0.00 C ATOM 1342 CD GLN A 92 79.804 10.254 -4.338 1.00 0.00 C ATOM 1343 OE1 GLN A 92 79.072 9.675 -5.141 1.00 0.00 O ATOM 1344 NE2 GLN A 92 80.554 11.248 -4.732 1.00 0.00 N ATOM 0 H GLN A 92 78.802 6.220 -1.498 1.00 0.00 H new ATOM 0 HA GLN A 92 79.521 8.942 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.707 8.014 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 92 77.786 9.377 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 92 79.881 10.637 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.839 9.262 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 92 81.159 11.726 -4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 92 80.534 11.546 -5.707 1.00 0.00 H new ATOM 1353 N SER A 93 77.220 9.272 0.408 1.00 0.00 N ATOM 1354 CA SER A 93 75.949 9.331 1.119 1.00 0.00 C ATOM 1355 C SER A 93 75.438 10.763 1.043 1.00 0.00 C ATOM 1356 O SER A 93 76.035 11.598 0.363 1.00 0.00 O ATOM 1357 CB SER A 93 76.133 8.884 2.574 1.00 0.00 C ATOM 1358 OG SER A 93 77.418 8.294 2.712 1.00 0.00 O ATOM 0 H SER A 93 77.863 10.035 0.617 1.00 0.00 H new ATOM 0 HA SER A 93 75.223 8.658 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 93 76.035 9.736 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 93 75.358 8.169 2.850 1.00 0.00 H new ATOM 0 HG SER A 93 77.548 8.006 3.640 1.00 0.00 H new ATOM 1364 N TYR A 94 74.317 11.020 1.706 1.00 0.00 N ATOM 1365 CA TYR A 94 73.806 12.381 1.798 1.00 0.00 C ATOM 1366 C TYR A 94 73.059 12.583 3.113 1.00 0.00 C ATOM 1367 O TYR A 94 72.113 11.858 3.417 1.00 0.00 O ATOM 1368 CB TYR A 94 72.895 12.676 0.601 1.00 0.00 C ATOM 1369 CG TYR A 94 73.158 11.704 -0.529 1.00 0.00 C ATOM 1370 CD1 TYR A 94 74.196 11.925 -1.445 1.00 0.00 C ATOM 1371 CD2 TYR A 94 72.383 10.540 -0.631 1.00 0.00 C ATOM 1372 CE1 TYR A 94 74.503 10.950 -2.402 1.00 0.00 C ATOM 1373 CE2 TYR A 94 72.646 9.603 -1.636 1.00 0.00 C ATOM 1374 CZ TYR A 94 73.728 9.790 -2.503 1.00 0.00 C ATOM 1375 OH TYR A 94 73.977 8.880 -3.511 1.00 0.00 O ATOM 0 H TYR A 94 73.752 10.316 2.181 1.00 0.00 H new ATOM 0 HA TYR A 94 74.644 13.078 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 94 71.851 12.610 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 94 73.061 13.696 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 94 74.758 12.846 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 94 71.579 10.366 0.069 1.00 0.00 H new ATOM 0 HE1 TYR A 94 75.343 11.094 -3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 94 72.013 8.734 -1.743 1.00 0.00 H new ATOM 0 HH TYR A 94 74.845 8.451 -3.358 1.00 0.00 H new ATOM 1482 N PHE A 102 80.810 12.120 0.844 1.00 0.00 N ATOM 1483 CA PHE A 102 81.755 11.160 0.277 1.00 0.00 C ATOM 1484 C PHE A 102 82.454 10.360 1.376 1.00 0.00 C ATOM 1485 O PHE A 102 82.658 10.852 2.487 1.00 0.00 O ATOM 1486 CB PHE A 102 82.794 11.903 -0.571 1.00 0.00 C ATOM 1487 CG PHE A 102 83.188 13.185 0.124 1.00 0.00 C ATOM 1488 CD1 PHE A 102 82.343 14.297 0.047 1.00 0.00 C ATOM 1489 CD2 PHE A 102 84.415 13.282 0.790 1.00 0.00 C ATOM 1490 CE1 PHE A 102 82.700 15.491 0.683 1.00 0.00 C ATOM 1491 CE2 PHE A 102 84.771 14.475 1.432 1.00 0.00 C ATOM 1492 CZ PHE A 102 83.929 15.591 1.347 1.00 0.00 C ATOM 0 HA PHE A 102 81.202 10.460 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 102 83.672 11.275 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 102 82.385 12.122 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 102 81.416 14.234 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 102 85.087 12.437 0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 102 82.028 16.336 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 102 85.693 14.534 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 102 84.227 16.528 1.793 1.00 0.00 H new ATOM 1502 N GLY A 103 82.799 9.118 1.048 1.00 0.00 N ATOM 1503 CA GLY A 103 83.494 8.223 1.968 1.00 0.00 C ATOM 1504 C GLY A 103 83.925 6.943 1.254 1.00 0.00 C ATOM 1505 O GLY A 103 84.299 6.973 0.082 1.00 0.00 O ATOM 0 H GLY A 103 82.604 8.704 0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 103 84.368 8.726 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 103 82.842 7.976 2.806 1.00 0.00 H new ATOM 1509 N GLY A 104 83.919 5.830 1.983 1.00 0.00 N ATOM 1510 CA GLY A 104 84.373 4.544 1.455 1.00 0.00 C ATOM 1511 C GLY A 104 85.863 4.546 1.138 1.00 0.00 C ATOM 1512 O GLY A 104 86.396 3.515 0.731 1.00 0.00 O ATOM 0 H GLY A 104 83.601 5.792 2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 104 84.159 3.759 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 104 83.811 4.305 0.552 1.00 0.00 H new ATOM 1516 N GLY A 105 86.500 5.708 1.236 1.00 0.00 N ATOM 1517 CA GLY A 105 87.921 5.801 0.929 1.00 0.00 C ATOM 1518 C GLY A 105 88.691 4.744 1.712 1.00 0.00 C ATOM 1519 O GLY A 105 89.161 4.991 2.822 1.00 0.00 O ATOM 0 H GLY A 105 86.063 6.585 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.081 5.662 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 105 88.292 6.795 1.180 1.00 0.00 H new ATOM 1523 N THR A 106 88.746 3.541 1.149 1.00 0.00 N ATOM 1524 CA THR A 106 89.419 2.420 1.795 1.00 0.00 C ATOM 1525 C THR A 106 89.978 1.464 0.745 1.00 0.00 C ATOM 1526 O THR A 106 89.289 1.095 -0.205 1.00 0.00 O ATOM 1527 CB THR A 106 88.444 1.679 2.712 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.145 2.499 3.831 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.070 0.376 3.211 1.00 0.00 C ATOM 0 H THR A 106 88.331 3.317 0.244 1.00 0.00 H new ATOM 0 HA THR A 106 90.244 2.805 2.394 1.00 0.00 H new ATOM 0 HB THR A 106 87.537 1.451 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 106 88.875 2.442 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.365 -0.140 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.311 -0.261 2.360 1.00 0.00 H new ATOM 0 HG23 THR A 106 89.981 0.599 3.767 1.00 0.00 H new ATOM 1537 N LYS A 107 91.274 1.190 0.848 1.00 0.00 N ATOM 1538 CA LYS A 107 91.932 0.283 -0.083 1.00 0.00 C ATOM 1539 C LYS A 107 91.731 -1.161 0.360 1.00 0.00 C ATOM 1540 O LYS A 107 92.056 -1.512 1.493 1.00 0.00 O ATOM 1541 CB LYS A 107 93.427 0.594 -0.128 1.00 0.00 C ATOM 1542 CG LYS A 107 94.054 -0.126 -1.324 1.00 0.00 C ATOM 1543 CD LYS A 107 95.581 -0.113 -1.209 1.00 0.00 C ATOM 1544 CE LYS A 107 96.194 -0.782 -2.443 1.00 0.00 C ATOM 1545 NZ LYS A 107 97.584 -1.221 -2.136 1.00 0.00 N ATOM 0 H LYS A 107 91.887 1.581 1.564 1.00 0.00 H new ATOM 0 HA LYS A 107 91.497 0.417 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 107 93.585 1.669 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 107 93.906 0.273 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.694 -1.154 -1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.748 0.359 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.941 0.912 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 107 95.892 -0.638 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 107 95.590 -1.638 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.199 -0.086 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 97.998 -1.675 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 98.158 -0.396 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 97.568 -1.900 -1.348 1.00 0.00 H new ATOM 1559 N LEU A 108 91.341 -2.019 -0.577 1.00 0.00 N ATOM 1560 CA LEU A 108 91.207 -3.448 -0.307 1.00 0.00 C ATOM 1561 C LEU A 108 92.135 -4.255 -1.210 1.00 0.00 C ATOM 1562 O LEU A 108 92.043 -4.179 -2.435 1.00 0.00 O ATOM 1563 CB LEU A 108 89.756 -3.876 -0.535 1.00 0.00 C ATOM 1564 CG LEU A 108 89.611 -5.392 -0.381 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.159 -5.853 0.972 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.130 -5.761 -0.481 1.00 0.00 C ATOM 0 H LEU A 108 91.111 -1.749 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 108 91.485 -3.638 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.105 -3.369 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.434 -3.574 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 108 90.178 -5.885 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 108 90.046 -6.933 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.214 -5.591 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.607 -5.363 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.016 -6.840 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.575 -5.256 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 108 87.742 -5.451 -1.451 1.00 0.00 H new ATOM 1578 N THR A 109 92.946 -5.115 -0.598 1.00 0.00 N ATOM 1579 CA THR A 109 93.846 -5.995 -1.340 1.00 0.00 C ATOM 1580 C THR A 109 93.501 -7.455 -1.057 1.00 0.00 C ATOM 1581 O THR A 109 93.503 -7.901 0.090 1.00 0.00 O ATOM 1582 CB THR A 109 95.295 -5.684 -0.940 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.284 -4.897 0.241 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.002 -4.898 -2.048 1.00 0.00 C ATOM 0 H THR A 109 92.998 -5.221 0.415 1.00 0.00 H new ATOM 0 HA THR A 109 93.731 -5.825 -2.411 1.00 0.00 H new ATOM 0 HB THR A 109 95.826 -6.622 -0.775 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.205 -4.694 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.028 -4.687 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.007 -5.487 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.475 -3.960 -2.222 1.00 0.00 H new ATOM 1592 N VAL A 110 93.268 -8.216 -2.120 1.00 0.00 N ATOM 1593 CA VAL A 110 92.953 -9.633 -1.980 1.00 0.00 C ATOM 1594 C VAL A 110 94.232 -10.464 -1.980 1.00 0.00 C ATOM 1595 O VAL A 110 94.261 -11.584 -2.488 1.00 0.00 O ATOM 1596 CB VAL A 110 92.031 -10.075 -3.123 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.702 -11.569 -2.983 1.00 0.00 C ATOM 1598 CG2 VAL A 110 90.752 -9.229 -3.105 1.00 0.00 C ATOM 0 H VAL A 110 93.291 -7.879 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 110 92.441 -9.789 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 110 92.534 -9.926 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.047 -11.875 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.624 -12.150 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.202 -11.744 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.097 -9.543 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.240 -9.364 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.009 -8.178 -3.232 1.00 0.00 H new ATOM 1608 N LEU A 111 95.282 -9.913 -1.379 1.00 0.00 N ATOM 1609 CA LEU A 111 96.556 -10.614 -1.276 1.00 0.00 C ATOM 1610 C LEU A 111 96.904 -11.299 -2.594 1.00 0.00 C ATOM 1611 O LEU A 111 97.488 -10.646 -3.443 1.00 0.00 O ATOM 1612 CB LEU A 111 96.488 -11.669 -0.171 1.00 0.00 C ATOM 1613 CG LEU A 111 96.173 -11.015 1.178 1.00 0.00 C ATOM 1614 CD1 LEU A 111 95.958 -12.077 2.262 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.303 -10.062 1.581 1.00 0.00 C ATOM 1616 OXT LEU A 111 96.552 -12.457 -2.748 1.00 0.00 O ATOM 0 H LEU A 111 95.275 -8.985 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 111 97.326 -9.880 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.723 -12.407 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.437 -12.202 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 111 95.251 -10.443 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 111 95.736 -11.589 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.124 -12.720 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.861 -12.678 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 111 97.067 -9.604 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.236 -10.619 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 111 97.411 -9.285 0.825 1.00 0.00 H new