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 19 THR OG1 : rot 176:sc= 0.477 USER MOD Set 1.2: A 77 THR OG1 : rot -11:sc= 0.901 USER MOD Set 2.1: A 53 ASN : amide:sc= -5.44! K(o=-13!,f=-0.71) USER MOD Set 2.2: A 54 GLN : amide:sc= -7.88! K(o=-13!,f=-0.71) USER MOD Set 3.1: A 37 TYR OH : rot 51:sc= 0.521 USER MOD Set 3.2: A 47 THR OG1 : rot -48:sc= 0.585! USER MOD Set 4.1: A 35 GLN : amide:sc= -8.62! C(o=-12!,f=-13!) USER MOD Set 4.2: A 94 TYR OH : rot -146:sc= -2.9! USER MOD Set 5.1: A 31 SER OG : rot 46:sc= -0.371 USER MOD Set 5.2: A 32 ASN : amide:sc= -2.08! C(o=-2.5!,f=-17!) USER MOD Set 6.1: A 8 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Set 6.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 6 GLN : amide:sc= -8.97! C(o=-12!,f=-9.5!) USER MOD Set 7.2: A 106 THR OG1 : rot 142:sc= -2.65 USER MOD Set 8.1: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 25 SER OG : rot -140:sc= 0 USER MOD Single : A 5 THR OG1 : rot 61:sc= 0.0912 USER MOD Single : A 11 SER OG : rot 28:sc= 0.327 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 180:sc= -1.53 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 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= -5.32! C(o=-5.3!,f=-6.4!) USER MOD Single : A 39 GLN : amide:sc= -5.75! C(o=-5.7!,f=-4.9!) 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 -37:sc= 0.548 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.969 USER MOD Single : A 72 ASN : amide:sc= -0.0932 K(o=-0.093,f=-2.3!) 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= -0.573 USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0886) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 161:sc= -0.802! USER MOD Single : A 90 TYR OH : rot 65:sc= -1.38 USER MOD Single : A 92 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.99!) USER MOD Single : A 93 SER OG : rot -0:sc= -1.98! USER MOD Single : A 107 LYS NZ :NH3+ 152:sc= -0.245 (180deg=-1.24!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.249 14.358 8.655 1.00 0.00 N ATOM 38 CA MET A 3 83.115 13.583 7.773 1.00 0.00 C ATOM 39 C MET A 3 82.732 12.108 7.829 1.00 0.00 C ATOM 40 O MET A 3 81.900 11.715 8.648 1.00 0.00 O ATOM 41 CB MET A 3 84.582 13.759 8.175 1.00 0.00 C ATOM 42 CG MET A 3 84.727 13.682 9.697 1.00 0.00 C ATOM 43 SD MET A 3 86.440 14.041 10.156 1.00 0.00 S ATOM 44 CE MET A 3 86.452 13.103 11.704 1.00 0.00 C ATOM 0 HA MET A 3 82.987 13.945 6.753 1.00 0.00 H new ATOM 0 HB2 MET A 3 85.190 12.986 7.705 1.00 0.00 H new ATOM 0 HB3 MET A 3 84.952 14.719 7.815 1.00 0.00 H new ATOM 0 HG2 MET A 3 84.054 14.395 10.174 1.00 0.00 H new ATOM 0 HG3 MET A 3 84.444 12.691 10.051 1.00 0.00 H new ATOM 0 HE1 MET A 3 87.433 13.184 12.171 1.00 0.00 H new ATOM 0 HE2 MET A 3 85.695 13.504 12.378 1.00 0.00 H new ATOM 0 HE3 MET A 3 86.235 12.055 11.496 1.00 0.00 H new ATOM 54 N LEU A 4 83.286 11.303 6.925 1.00 0.00 N ATOM 55 CA LEU A 4 82.986 9.877 6.888 1.00 0.00 C ATOM 56 C LEU A 4 84.253 9.102 7.223 1.00 0.00 C ATOM 57 O LEU A 4 85.146 8.966 6.387 1.00 0.00 O ATOM 58 CB LEU A 4 82.501 9.507 5.482 1.00 0.00 C ATOM 59 CG LEU A 4 81.287 8.575 5.551 1.00 0.00 C ATOM 60 CD1 LEU A 4 80.707 8.392 4.146 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.710 7.215 6.115 1.00 0.00 C ATOM 0 H LEU A 4 83.944 11.615 6.210 1.00 0.00 H new ATOM 0 HA LEU A 4 82.209 9.632 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 4 82.239 10.412 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.306 9.022 4.931 1.00 0.00 H new ATOM 0 HG LEU A 4 80.531 9.012 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 4 79.843 7.729 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 4 80.401 9.360 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.464 7.956 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.844 6.555 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.468 6.773 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 4 82.120 7.348 7.116 1.00 0.00 H new ATOM 73 N THR A 5 84.331 8.605 8.451 1.00 0.00 N ATOM 74 CA THR A 5 85.513 7.861 8.864 1.00 0.00 C ATOM 75 C THR A 5 85.321 6.384 8.535 1.00 0.00 C ATOM 76 O THR A 5 84.319 5.781 8.919 1.00 0.00 O ATOM 77 CB THR A 5 85.740 8.055 10.368 1.00 0.00 C ATOM 78 OG1 THR A 5 84.510 8.439 10.967 1.00 0.00 O ATOM 79 CG2 THR A 5 86.776 9.153 10.617 1.00 0.00 C ATOM 0 H THR A 5 83.608 8.700 9.164 1.00 0.00 H new ATOM 0 HA THR A 5 86.389 8.228 8.330 1.00 0.00 H new ATOM 0 HB THR A 5 86.105 7.122 10.798 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.845 7.732 10.831 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.924 9.277 11.690 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.721 8.875 10.150 1.00 0.00 H new ATOM 0 HG23 THR A 5 86.422 10.091 10.189 1.00 0.00 H new ATOM 87 N GLN A 6 86.291 5.806 7.834 1.00 0.00 N ATOM 88 CA GLN A 6 86.263 4.384 7.504 1.00 0.00 C ATOM 89 C GLN A 6 87.685 3.830 7.574 1.00 0.00 C ATOM 90 O GLN A 6 88.643 4.566 7.338 1.00 0.00 O ATOM 91 CB GLN A 6 85.600 4.195 6.128 1.00 0.00 C ATOM 92 CG GLN A 6 86.483 3.486 5.091 1.00 0.00 C ATOM 93 CD GLN A 6 85.649 3.055 3.890 1.00 0.00 C ATOM 94 OE1 GLN A 6 86.011 2.108 3.192 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.516 3.651 3.647 1.00 0.00 N ATOM 0 H GLN A 6 87.110 6.302 7.482 1.00 0.00 H new ATOM 0 HA GLN A 6 85.665 3.821 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 6 84.681 3.623 6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 6 85.316 5.172 5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.282 4.153 4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 6 86.959 2.616 5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 6 84.218 4.436 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.927 3.333 2.877 1.00 0.00 H new ATOM 104 N PRO A 7 87.831 2.535 7.675 1.00 0.00 N ATOM 105 CA PRO A 7 89.170 1.881 7.713 1.00 0.00 C ATOM 106 C PRO A 7 90.085 2.405 6.609 1.00 0.00 C ATOM 107 O PRO A 7 89.634 2.678 5.497 1.00 0.00 O ATOM 108 CB PRO A 7 88.862 0.386 7.538 1.00 0.00 C ATOM 109 CG PRO A 7 87.378 0.261 7.383 1.00 0.00 C ATOM 110 CD PRO A 7 86.767 1.551 7.930 1.00 0.00 C ATOM 0 HA PRO A 7 89.706 2.086 8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.376 -0.014 6.664 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.209 -0.183 8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.109 0.119 6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.004 -0.606 7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.841 1.811 7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.532 1.472 8.991 1.00 0.00 H new ATOM 118 N HIS A 8 91.339 2.668 6.965 1.00 0.00 N ATOM 119 CA HIS A 8 92.306 3.202 6.011 1.00 0.00 C ATOM 120 C HIS A 8 92.688 2.147 4.977 1.00 0.00 C ATOM 121 O HIS A 8 92.808 2.448 3.791 1.00 0.00 O ATOM 122 CB HIS A 8 93.554 3.697 6.750 1.00 0.00 C ATOM 123 CG HIS A 8 93.821 2.813 7.937 1.00 0.00 C ATOM 124 ND1 HIS A 8 94.430 1.575 7.818 1.00 0.00 N ATOM 125 CD2 HIS A 8 93.546 2.970 9.275 1.00 0.00 C ATOM 126 CE1 HIS A 8 94.522 1.048 9.051 1.00 0.00 C ATOM 127 NE2 HIS A 8 93.985 1.848 9.975 1.00 0.00 N ATOM 0 H HIS A 8 91.709 2.521 7.904 1.00 0.00 H new ATOM 0 HA HIS A 8 91.847 4.041 5.488 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.413 3.691 6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.411 4.727 7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 8 93.064 3.830 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 8 94.976 0.092 9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.912 1.675 10.978 1.00 0.00 H new ATOM 135 N SER A 9 92.957 0.932 5.443 1.00 0.00 N ATOM 136 CA SER A 9 93.337 -0.152 4.544 1.00 0.00 C ATOM 137 C SER A 9 93.055 -1.504 5.193 1.00 0.00 C ATOM 138 O SER A 9 92.984 -1.611 6.416 1.00 0.00 O ATOM 139 CB SER A 9 94.823 -0.053 4.195 1.00 0.00 C ATOM 140 OG SER A 9 95.592 -0.622 5.243 1.00 0.00 O ATOM 0 H SER A 9 92.920 0.674 6.429 1.00 0.00 H new ATOM 0 HA SER A 9 92.747 -0.064 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.023 -0.573 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.105 0.990 4.047 1.00 0.00 H new ATOM 0 HG SER A 9 96.544 -0.561 5.020 1.00 0.00 H new ATOM 146 N VAL A 10 92.901 -2.534 4.366 1.00 0.00 N ATOM 147 CA VAL A 10 92.619 -3.871 4.875 1.00 0.00 C ATOM 148 C VAL A 10 92.850 -4.919 3.791 1.00 0.00 C ATOM 149 O VAL A 10 92.352 -4.785 2.675 1.00 0.00 O ATOM 150 CB VAL A 10 91.170 -3.949 5.362 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.221 -3.550 4.230 1.00 0.00 C ATOM 152 CG2 VAL A 10 90.859 -5.381 5.802 1.00 0.00 C ATOM 0 H VAL A 10 92.966 -2.470 3.350 1.00 0.00 H new ATOM 0 HA VAL A 10 93.294 -4.072 5.707 1.00 0.00 H new ATOM 0 HB VAL A 10 91.036 -3.268 6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.191 -3.607 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.440 -2.530 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.355 -4.228 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 10 89.827 -5.439 6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 10 90.997 -6.059 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 10 91.531 -5.667 6.611 1.00 0.00 H new ATOM 162 N SER A 11 93.671 -5.920 4.090 1.00 0.00 N ATOM 163 CA SER A 11 93.969 -6.977 3.129 1.00 0.00 C ATOM 164 C SER A 11 93.291 -8.278 3.543 1.00 0.00 C ATOM 165 O SER A 11 93.480 -8.749 4.663 1.00 0.00 O ATOM 166 CB SER A 11 95.482 -7.183 3.051 1.00 0.00 C ATOM 167 OG SER A 11 95.994 -7.478 4.341 1.00 0.00 O ATOM 0 H SER A 11 94.142 -6.022 4.989 1.00 0.00 H new ATOM 0 HA SER A 11 93.590 -6.683 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.712 -7.997 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.960 -6.287 2.656 1.00 0.00 H new ATOM 0 HG SER A 11 95.299 -7.915 4.876 1.00 0.00 H new ATOM 173 N GLU A 12 92.587 -8.909 2.606 1.00 0.00 N ATOM 174 CA GLU A 12 91.891 -10.165 2.878 1.00 0.00 C ATOM 175 C GLU A 12 92.431 -11.268 1.973 1.00 0.00 C ATOM 176 O GLU A 12 93.138 -10.992 1.005 1.00 0.00 O ATOM 177 CB GLU A 12 90.389 -9.981 2.631 1.00 0.00 C ATOM 178 CG GLU A 12 89.576 -10.899 3.549 1.00 0.00 C ATOM 179 CD GLU A 12 89.661 -10.394 4.985 1.00 0.00 C ATOM 180 OE1 GLU A 12 88.983 -9.429 5.296 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.452 -10.937 5.738 1.00 0.00 O ATOM 0 H GLU A 12 92.483 -8.570 1.649 1.00 0.00 H new ATOM 0 HA GLU A 12 92.056 -10.448 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.110 -8.942 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.157 -10.201 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.536 -10.926 3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 12 89.956 -11.919 3.489 1.00 0.00 H new ATOM 188 N SER A 13 92.127 -12.521 2.304 1.00 0.00 N ATOM 189 CA SER A 13 92.620 -13.652 1.525 1.00 0.00 C ATOM 190 C SER A 13 91.566 -14.106 0.518 1.00 0.00 C ATOM 191 O SER A 13 90.380 -14.123 0.844 1.00 0.00 O ATOM 192 CB SER A 13 92.973 -14.805 2.469 1.00 0.00 C ATOM 193 OG SER A 13 93.586 -14.282 3.638 1.00 0.00 O ATOM 0 H SER A 13 91.545 -12.777 3.102 1.00 0.00 H new ATOM 0 HA SER A 13 93.511 -13.345 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.074 -15.362 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.646 -15.504 1.973 1.00 0.00 H new ATOM 0 HG SER A 13 93.812 -15.017 4.246 1.00 0.00 H new ATOM 199 N PRO A 14 91.946 -14.524 -0.662 1.00 0.00 N ATOM 200 CA PRO A 14 90.960 -15.002 -1.672 1.00 0.00 C ATOM 201 C PRO A 14 90.123 -16.152 -1.119 1.00 0.00 C ATOM 202 O PRO A 14 90.631 -17.258 -0.935 1.00 0.00 O ATOM 203 CB PRO A 14 91.792 -15.439 -2.886 1.00 0.00 C ATOM 204 CG PRO A 14 93.231 -15.157 -2.578 1.00 0.00 C ATOM 205 CD PRO A 14 93.316 -14.488 -1.202 1.00 0.00 C ATOM 0 HA PRO A 14 90.248 -14.222 -1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.645 -16.500 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.479 -14.898 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.807 -16.082 -2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.661 -14.508 -3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.009 -15.019 -0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.678 -13.463 -1.285 1.00 0.00 H new ATOM 213 N GLY A 15 88.822 -15.922 -0.967 1.00 0.00 N ATOM 214 CA GLY A 15 87.904 -16.964 -0.516 1.00 0.00 C ATOM 215 C GLY A 15 87.309 -16.624 0.846 1.00 0.00 C ATOM 216 O GLY A 15 86.457 -17.351 1.356 1.00 0.00 O ATOM 0 H GLY A 15 88.379 -15.022 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.103 -17.087 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.431 -17.916 -0.458 1.00 0.00 H new ATOM 220 N LYS A 16 87.861 -15.599 1.491 1.00 0.00 N ATOM 221 CA LYS A 16 87.377 -15.164 2.797 1.00 0.00 C ATOM 222 C LYS A 16 86.317 -14.078 2.632 1.00 0.00 C ATOM 223 O LYS A 16 85.680 -13.984 1.585 1.00 0.00 O ATOM 224 CB LYS A 16 88.556 -14.641 3.630 1.00 0.00 C ATOM 225 CG LYS A 16 89.034 -15.688 4.641 1.00 0.00 C ATOM 226 CD LYS A 16 90.054 -15.049 5.587 1.00 0.00 C ATOM 227 CE LYS A 16 90.457 -16.036 6.687 1.00 0.00 C ATOM 228 NZ LYS A 16 91.556 -16.909 6.189 1.00 0.00 N ATOM 0 H LYS A 16 88.644 -15.054 1.130 1.00 0.00 H new ATOM 0 HA LYS A 16 86.923 -16.009 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.379 -14.370 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.258 -13.734 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.188 -16.076 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.483 -16.534 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 16 90.936 -14.741 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.630 -14.150 6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 16 90.782 -15.495 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 89.600 -16.642 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 91.831 -17.580 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 91.230 -17.435 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 92.375 -16.323 5.931 1.00 0.00 H new ATOM 242 N THR A 17 85.932 -13.486 3.760 1.00 0.00 N ATOM 243 CA THR A 17 84.917 -12.437 3.784 1.00 0.00 C ATOM 244 C THR A 17 85.438 -11.192 4.495 1.00 0.00 C ATOM 245 O THR A 17 86.308 -11.274 5.361 1.00 0.00 O ATOM 246 CB THR A 17 83.668 -12.957 4.499 1.00 0.00 C ATOM 247 OG1 THR A 17 84.001 -13.317 5.832 1.00 0.00 O ATOM 248 CG2 THR A 17 83.118 -14.186 3.769 1.00 0.00 C ATOM 0 H THR A 17 86.312 -13.718 4.678 1.00 0.00 H new ATOM 0 HA THR A 17 84.670 -12.166 2.758 1.00 0.00 H new ATOM 0 HB THR A 17 82.911 -12.173 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.201 -13.648 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.229 -14.549 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.858 -13.915 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.875 -14.970 3.755 1.00 0.00 H new ATOM 256 N VAL A 18 84.882 -10.040 4.134 1.00 0.00 N ATOM 257 CA VAL A 18 85.262 -8.774 4.754 1.00 0.00 C ATOM 258 C VAL A 18 84.074 -7.818 4.764 1.00 0.00 C ATOM 259 O VAL A 18 83.243 -7.836 3.857 1.00 0.00 O ATOM 260 CB VAL A 18 86.423 -8.140 3.985 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.939 -7.693 2.605 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.949 -6.924 4.751 1.00 0.00 C ATOM 0 H VAL A 18 84.165 -9.956 3.413 1.00 0.00 H new ATOM 0 HA VAL A 18 85.575 -8.968 5.780 1.00 0.00 H new ATOM 0 HB VAL A 18 87.221 -8.874 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.767 -7.241 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.567 -8.556 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.138 -6.962 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.776 -6.476 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.150 -6.192 4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.297 -7.237 5.735 1.00 0.00 H new ATOM 272 N THR A 19 84.005 -6.974 5.789 1.00 0.00 N ATOM 273 CA THR A 19 82.954 -5.968 5.899 1.00 0.00 C ATOM 274 C THR A 19 83.589 -4.584 5.994 1.00 0.00 C ATOM 275 O THR A 19 84.394 -4.322 6.888 1.00 0.00 O ATOM 276 CB THR A 19 82.102 -6.274 7.137 1.00 0.00 C ATOM 277 OG1 THR A 19 81.066 -7.175 6.775 1.00 0.00 O ATOM 278 CG2 THR A 19 81.485 -5.016 7.760 1.00 0.00 C ATOM 0 H THR A 19 84.671 -6.968 6.562 1.00 0.00 H new ATOM 0 HA THR A 19 82.310 -5.988 5.019 1.00 0.00 H new ATOM 0 HB THR A 19 82.760 -6.714 7.886 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.557 -7.426 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.893 -5.295 8.632 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.279 -4.333 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.844 -4.525 7.028 1.00 0.00 H new ATOM 286 N ILE A 20 83.045 -3.647 5.227 1.00 0.00 N ATOM 287 CA ILE A 20 83.513 -2.266 5.254 1.00 0.00 C ATOM 288 C ILE A 20 82.583 -1.442 6.139 1.00 0.00 C ATOM 289 O ILE A 20 81.363 -1.468 5.971 1.00 0.00 O ATOM 290 CB ILE A 20 83.527 -1.678 3.837 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.054 -2.685 2.808 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.394 -0.415 3.808 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.572 -2.861 2.910 1.00 0.00 C ATOM 0 H ILE A 20 82.278 -3.819 4.577 1.00 0.00 H new ATOM 0 HA ILE A 20 84.527 -2.240 5.652 1.00 0.00 H new ATOM 0 HB ILE A 20 82.499 -1.432 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 20 83.566 -3.648 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 20 83.794 -2.349 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.401 -0.001 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.986 0.322 4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.413 -0.666 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.906 -3.582 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.062 -1.904 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.830 -3.222 3.905 1.00 0.00 H new ATOM 305 N SER A 21 83.168 -0.713 7.084 1.00 0.00 N ATOM 306 CA SER A 21 82.394 0.104 8.011 1.00 0.00 C ATOM 307 C SER A 21 82.468 1.567 7.581 1.00 0.00 C ATOM 308 O SER A 21 83.541 2.170 7.625 1.00 0.00 O ATOM 309 CB SER A 21 82.967 -0.063 9.422 1.00 0.00 C ATOM 310 OG SER A 21 83.337 -1.420 9.628 1.00 0.00 O ATOM 0 H SER A 21 84.177 -0.672 7.228 1.00 0.00 H new ATOM 0 HA SER A 21 81.351 -0.212 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.834 0.585 9.553 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.228 0.240 10.164 1.00 0.00 H new ATOM 0 HG SER A 21 83.705 -1.525 10.530 1.00 0.00 H new ATOM 316 N CYS A 22 81.312 2.165 7.298 1.00 0.00 N ATOM 317 CA CYS A 22 81.231 3.556 6.852 1.00 0.00 C ATOM 318 C CYS A 22 80.405 4.308 7.902 1.00 0.00 C ATOM 319 O CYS A 22 79.296 3.886 8.229 1.00 0.00 O ATOM 320 CB CYS A 22 80.606 3.625 5.439 1.00 0.00 C ATOM 321 SG CYS A 22 81.829 3.956 4.128 1.00 0.00 S ATOM 0 H CYS A 22 80.407 1.701 7.371 1.00 0.00 H new ATOM 0 HA CYS A 22 82.215 4.017 6.768 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.101 2.683 5.226 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.845 4.406 5.423 1.00 0.00 H new ATOM 326 N THR A 23 81.042 5.214 8.648 1.00 0.00 N ATOM 327 CA THR A 23 80.371 5.959 9.711 1.00 0.00 C ATOM 328 C THR A 23 80.435 7.443 9.379 1.00 0.00 C ATOM 329 O THR A 23 81.512 7.975 9.109 1.00 0.00 O ATOM 330 CB THR A 23 81.031 5.746 11.076 1.00 0.00 C ATOM 331 OG1 THR A 23 80.941 4.376 11.436 1.00 0.00 O ATOM 332 CG2 THR A 23 80.332 6.599 12.140 1.00 0.00 C ATOM 0 H THR A 23 82.028 5.449 8.533 1.00 0.00 H new ATOM 0 HA THR A 23 79.344 5.600 9.771 1.00 0.00 H new ATOM 0 HB THR A 23 82.078 6.043 11.014 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.365 4.239 12.309 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.810 6.439 13.106 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.406 7.652 11.868 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.282 6.313 12.203 1.00 0.00 H new ATOM 340 N ARG A 24 79.353 8.147 9.685 1.00 0.00 N ATOM 341 CA ARG A 24 79.373 9.602 9.631 1.00 0.00 C ATOM 342 C ARG A 24 79.811 10.163 10.981 1.00 0.00 C ATOM 343 O ARG A 24 79.235 9.828 12.015 1.00 0.00 O ATOM 344 CB ARG A 24 77.976 10.100 9.239 1.00 0.00 C ATOM 345 CG ARG A 24 77.922 10.452 7.747 1.00 0.00 C ATOM 346 CD ARG A 24 78.549 11.823 7.461 1.00 0.00 C ATOM 347 NE ARG A 24 79.842 11.654 6.808 1.00 0.00 N ATOM 348 CZ ARG A 24 79.930 11.494 5.492 1.00 0.00 C ATOM 349 NH1 ARG A 24 79.246 10.547 4.910 1.00 0.00 N ATOM 350 NH2 ARG A 24 80.696 12.286 4.793 1.00 0.00 N ATOM 0 H ARG A 24 78.462 7.741 9.970 1.00 0.00 H new ATOM 0 HA ARG A 24 80.088 9.946 8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.235 9.332 9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.717 10.976 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.445 9.687 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 24 76.885 10.449 7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.886 12.410 6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 24 78.672 12.377 8.392 1.00 0.00 H new ATOM 0 HE ARG A 24 80.693 11.659 7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 24 78.648 9.935 5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 24 79.309 10.419 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 24 81.225 13.025 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 24 80.766 12.166 3.782 1.00 0.00 H new ATOM 364 N SER A 25 80.626 11.211 10.926 1.00 0.00 N ATOM 365 CA SER A 25 81.039 11.910 12.138 1.00 0.00 C ATOM 366 C SER A 25 79.817 12.444 12.878 1.00 0.00 C ATOM 367 O SER A 25 79.944 13.233 13.814 1.00 0.00 O ATOM 368 CB SER A 25 82.033 13.025 11.799 1.00 0.00 C ATOM 369 OG SER A 25 83.211 12.848 12.573 1.00 0.00 O ATOM 0 H SER A 25 81.011 11.593 10.062 1.00 0.00 H new ATOM 0 HA SER A 25 81.548 11.210 12.801 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.274 13.003 10.736 1.00 0.00 H new ATOM 0 HB3 SER A 25 81.590 13.999 12.005 1.00 0.00 H new ATOM 0 HG SER A 25 83.534 13.720 12.881 1.00 0.00 H new ATOM 375 N SER A 26 78.655 12.222 12.271 1.00 0.00 N ATOM 376 CA SER A 26 77.394 12.751 12.779 1.00 0.00 C ATOM 377 C SER A 26 76.576 11.632 13.418 1.00 0.00 C ATOM 378 O SER A 26 75.668 11.887 14.208 1.00 0.00 O ATOM 379 CB SER A 26 76.632 13.401 11.619 1.00 0.00 C ATOM 380 OG SER A 26 76.310 14.741 11.962 1.00 0.00 O ATOM 0 H SER A 26 78.561 11.673 11.417 1.00 0.00 H new ATOM 0 HA SER A 26 77.583 13.502 13.546 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.239 13.381 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.722 12.839 11.406 1.00 0.00 H new ATOM 0 HG SER A 26 75.824 15.160 11.222 1.00 0.00 H new ATOM 386 N GLY A 27 76.921 10.391 13.089 1.00 0.00 N ATOM 387 CA GLY A 27 76.204 9.235 13.615 1.00 0.00 C ATOM 388 C GLY A 27 75.074 8.815 12.680 1.00 0.00 C ATOM 389 O GLY A 27 74.823 7.623 12.496 1.00 0.00 O ATOM 0 H GLY A 27 77.691 10.160 12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.897 8.404 13.749 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.797 9.472 14.598 1.00 0.00 H new ATOM 393 N SER A 28 74.423 9.794 12.058 1.00 0.00 N ATOM 394 CA SER A 28 73.281 9.521 11.192 1.00 0.00 C ATOM 395 C SER A 28 73.705 8.754 9.945 1.00 0.00 C ATOM 396 O SER A 28 74.511 9.241 9.153 1.00 0.00 O ATOM 397 CB SER A 28 72.616 10.835 10.775 1.00 0.00 C ATOM 398 OG SER A 28 72.537 11.706 11.894 1.00 0.00 O ATOM 0 H SER A 28 74.666 10.781 12.137 1.00 0.00 H new ATOM 0 HA SER A 28 72.574 8.909 11.753 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.188 11.306 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.618 10.640 10.382 1.00 0.00 H new ATOM 0 HG SER A 28 72.113 12.547 11.624 1.00 0.00 H new ATOM 404 N ILE A 29 73.293 7.492 9.865 1.00 0.00 N ATOM 405 CA ILE A 29 73.695 6.610 8.774 1.00 0.00 C ATOM 406 C ILE A 29 72.512 5.821 8.227 1.00 0.00 C ATOM 407 O ILE A 29 72.085 6.038 7.094 1.00 0.00 O ATOM 408 CB ILE A 29 74.742 5.610 9.271 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.298 4.995 10.613 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.119 6.283 9.402 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.783 3.555 10.494 1.00 0.00 C ATOM 0 H ILE A 29 72.676 7.055 10.549 1.00 0.00 H new ATOM 0 HA ILE A 29 74.103 7.239 7.983 1.00 0.00 H new ATOM 0 HB ILE A 29 74.831 4.807 8.539 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.139 5.014 11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.514 5.617 11.045 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.848 5.554 9.757 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.431 6.665 8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.055 7.107 10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.490 3.191 11.479 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.922 3.531 9.827 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.571 2.919 10.092 1.00 0.00 H new ATOM 423 N ALA A 30 71.889 5.022 9.090 1.00 0.00 N ATOM 424 CA ALA A 30 70.758 4.206 8.665 1.00 0.00 C ATOM 425 C ALA A 30 69.652 5.144 8.199 1.00 0.00 C ATOM 426 O ALA A 30 68.544 4.728 7.861 1.00 0.00 O ATOM 427 CB ALA A 30 70.246 3.349 9.828 1.00 0.00 C ATOM 0 H ALA A 30 72.144 4.923 10.073 1.00 0.00 H new ATOM 0 HA ALA A 30 71.066 3.539 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.402 2.747 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.044 2.693 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 30 69.927 3.997 10.645 1.00 0.00 H new ATOM 433 N SER A 31 69.975 6.430 8.263 1.00 0.00 N ATOM 434 CA SER A 31 69.039 7.496 7.911 1.00 0.00 C ATOM 435 C SER A 31 69.427 8.180 6.603 1.00 0.00 C ATOM 436 O SER A 31 68.553 8.486 5.791 1.00 0.00 O ATOM 437 CB SER A 31 68.967 8.538 9.026 1.00 0.00 C ATOM 438 OG SER A 31 70.248 9.121 9.210 1.00 0.00 O ATOM 0 H SER A 31 70.891 6.765 8.560 1.00 0.00 H new ATOM 0 HA SER A 31 68.061 7.033 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.238 9.308 8.773 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.631 8.073 9.952 1.00 0.00 H new ATOM 0 HG SER A 31 70.630 9.354 8.338 1.00 0.00 H new ATOM 444 N ASN A 32 70.715 8.157 6.267 1.00 0.00 N ATOM 445 CA ASN A 32 71.188 8.872 5.086 1.00 0.00 C ATOM 446 C ASN A 32 71.424 7.842 3.987 1.00 0.00 C ATOM 447 O ASN A 32 71.790 6.700 4.265 1.00 0.00 O ATOM 448 CB ASN A 32 72.512 9.591 5.377 1.00 0.00 C ATOM 449 CG ASN A 32 72.496 10.228 6.762 1.00 0.00 C ATOM 450 OD1 ASN A 32 71.960 9.649 7.705 1.00 0.00 O ATOM 451 ND2 ASN A 32 73.247 11.270 6.984 1.00 0.00 N ATOM 0 H ASN A 32 71.438 7.660 6.786 1.00 0.00 H new ATOM 0 HA ASN A 32 70.448 9.615 4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 32 73.337 8.882 5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.687 10.358 4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 32 73.389 11.603 7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 32 73.693 11.753 6.204 1.00 0.00 H new ATOM 458 N TYR A 33 71.137 8.229 2.748 1.00 0.00 N ATOM 459 CA TYR A 33 71.208 7.289 1.637 1.00 0.00 C ATOM 460 C TYR A 33 72.667 7.010 1.303 1.00 0.00 C ATOM 461 O TYR A 33 73.423 7.939 1.026 1.00 0.00 O ATOM 462 CB TYR A 33 70.522 7.873 0.401 1.00 0.00 C ATOM 463 CG TYR A 33 69.048 8.050 0.674 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.583 9.246 1.233 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.142 7.043 0.319 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.214 9.426 1.461 1.00 0.00 C ATOM 467 CE2 TYR A 33 66.776 7.211 0.572 1.00 0.00 C ATOM 468 CZ TYR A 33 66.313 8.404 1.142 1.00 0.00 C ATOM 469 OH TYR A 33 64.965 8.576 1.376 1.00 0.00 O ATOM 0 H TYR A 33 70.856 9.175 2.491 1.00 0.00 H new ATOM 0 HA TYR A 33 70.704 6.367 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.972 8.832 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.667 7.212 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 33 69.281 10.030 1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.497 6.137 -0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.853 10.353 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.080 6.422 0.328 1.00 0.00 H new ATOM 0 HH TYR A 33 64.479 7.772 1.097 1.00 0.00 H new ATOM 479 N VAL A 34 73.079 5.751 1.419 1.00 0.00 N ATOM 480 CA VAL A 34 74.477 5.384 1.215 1.00 0.00 C ATOM 481 C VAL A 34 74.609 4.357 0.099 1.00 0.00 C ATOM 482 O VAL A 34 73.716 3.547 -0.145 1.00 0.00 O ATOM 483 CB VAL A 34 75.070 4.805 2.502 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.510 4.358 2.239 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.044 5.854 3.618 1.00 0.00 C ATOM 0 H VAL A 34 72.467 4.969 1.653 1.00 0.00 H new ATOM 0 HA VAL A 34 75.021 6.286 0.936 1.00 0.00 H new ATOM 0 HB VAL A 34 74.474 3.949 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 34 76.936 3.945 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 34 76.518 3.597 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.103 5.214 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.469 5.429 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.630 6.722 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.015 6.159 3.807 1.00 0.00 H new ATOM 495 N GLN A 35 75.687 4.511 -0.659 1.00 0.00 N ATOM 496 CA GLN A 35 75.986 3.608 -1.762 1.00 0.00 C ATOM 497 C GLN A 35 77.479 3.301 -1.791 1.00 0.00 C ATOM 498 O GLN A 35 78.255 3.916 -1.060 1.00 0.00 O ATOM 499 CB GLN A 35 75.570 4.283 -3.070 1.00 0.00 C ATOM 500 CG GLN A 35 75.981 5.759 -3.076 1.00 0.00 C ATOM 501 CD GLN A 35 74.830 6.652 -2.617 1.00 0.00 C ATOM 502 OE1 GLN A 35 74.442 6.623 -1.449 1.00 0.00 O ATOM 503 NE2 GLN A 35 74.170 7.337 -3.511 1.00 0.00 N ATOM 0 H GLN A 35 76.371 5.256 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 35 75.440 2.673 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.032 3.769 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 35 74.491 4.201 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 35 76.841 5.903 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 35 76.292 6.049 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 35 74.494 7.359 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 35 73.330 7.850 -3.243 1.00 0.00 H new ATOM 512 N TRP A 36 77.870 2.327 -2.607 1.00 0.00 N ATOM 513 CA TRP A 36 79.266 1.906 -2.681 1.00 0.00 C ATOM 514 C TRP A 36 79.764 1.961 -4.121 1.00 0.00 C ATOM 515 O TRP A 36 79.153 1.398 -5.029 1.00 0.00 O ATOM 516 CB TRP A 36 79.408 0.481 -2.144 1.00 0.00 C ATOM 517 CG TRP A 36 78.882 0.427 -0.745 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.577 0.318 -0.411 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.624 0.456 0.510 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.465 0.278 0.965 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.697 0.373 1.580 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.985 0.601 0.825 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.116 0.383 2.914 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.411 0.564 2.159 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.481 0.497 3.204 1.00 0.00 C ATOM 0 H TRP A 36 77.241 1.815 -3.226 1.00 0.00 H new ATOM 0 HA TRP A 36 79.866 2.585 -2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.860 -0.216 -2.778 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.454 0.175 -2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.754 0.270 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.581 0.189 1.465 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.707 0.742 0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.394 0.304 3.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.467 0.587 2.384 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.816 0.533 4.230 1.00 0.00 H new ATOM 536 N TYR A 37 80.894 2.634 -4.311 1.00 0.00 N ATOM 537 CA TYR A 37 81.526 2.765 -5.620 1.00 0.00 C ATOM 538 C TYR A 37 82.865 2.036 -5.621 1.00 0.00 C ATOM 539 O TYR A 37 83.528 1.934 -4.589 1.00 0.00 O ATOM 540 CB TYR A 37 81.736 4.243 -5.964 1.00 0.00 C ATOM 541 CG TYR A 37 80.495 4.823 -6.600 1.00 0.00 C ATOM 542 CD1 TYR A 37 80.309 4.706 -7.983 1.00 0.00 C ATOM 543 CD2 TYR A 37 79.552 5.502 -5.820 1.00 0.00 C ATOM 544 CE1 TYR A 37 79.187 5.282 -8.589 1.00 0.00 C ATOM 545 CE2 TYR A 37 78.416 6.053 -6.424 1.00 0.00 C ATOM 546 CZ TYR A 37 78.227 5.932 -7.805 1.00 0.00 C ATOM 547 OH TYR A 37 77.099 6.464 -8.397 1.00 0.00 O ATOM 0 H TYR A 37 81.399 3.105 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 37 80.874 2.321 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 37 81.983 4.801 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 37 82.582 4.347 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 37 81.031 4.171 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.700 5.601 -4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.062 5.225 -9.660 1.00 0.00 H new ATOM 0 HE2 TYR A 37 77.684 6.572 -5.823 1.00 0.00 H new ATOM 0 HH TYR A 37 76.679 5.787 -8.968 1.00 0.00 H new ATOM 557 N GLN A 38 83.253 1.522 -6.784 1.00 0.00 N ATOM 558 CA GLN A 38 84.507 0.786 -6.918 1.00 0.00 C ATOM 559 C GLN A 38 85.330 1.425 -8.033 1.00 0.00 C ATOM 560 O GLN A 38 84.879 1.516 -9.175 1.00 0.00 O ATOM 561 CB GLN A 38 84.193 -0.680 -7.253 1.00 0.00 C ATOM 562 CG GLN A 38 84.799 -1.635 -6.221 1.00 0.00 C ATOM 563 CD GLN A 38 84.009 -1.570 -4.919 1.00 0.00 C ATOM 564 OE1 GLN A 38 83.939 -0.516 -4.286 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.391 -2.637 -4.492 1.00 0.00 N ATOM 0 H GLN A 38 82.717 1.601 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 38 85.075 0.820 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 38 83.113 -0.822 -7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 38 84.581 -0.919 -8.243 1.00 0.00 H new ATOM 0 HG2 GLN A 38 84.792 -2.654 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 38 85.840 -1.371 -6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.452 -3.507 -5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 38 82.847 -2.601 -3.630 1.00 0.00 H new ATOM 574 N GLN A 39 86.593 1.711 -7.727 1.00 0.00 N ATOM 575 CA GLN A 39 87.510 2.299 -8.700 1.00 0.00 C ATOM 576 C GLN A 39 88.746 1.417 -8.833 1.00 0.00 C ATOM 577 O GLN A 39 89.241 0.878 -7.843 1.00 0.00 O ATOM 578 CB GLN A 39 87.929 3.706 -8.256 1.00 0.00 C ATOM 579 CG GLN A 39 88.389 4.533 -9.460 1.00 0.00 C ATOM 580 CD GLN A 39 89.665 3.937 -10.042 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.624 3.689 -9.310 1.00 0.00 O ATOM 582 NE2 GLN A 39 89.725 3.681 -11.320 1.00 0.00 N ATOM 0 H GLN A 39 87.006 1.544 -6.809 1.00 0.00 H new ATOM 0 HA GLN A 39 87.004 2.370 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.093 4.203 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 39 88.734 3.638 -7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 39 87.607 4.552 -10.219 1.00 0.00 H new ATOM 0 HG3 GLN A 39 88.565 5.565 -9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.927 3.889 -11.920 1.00 0.00 H new ATOM 0 HE22 GLN A 39 90.570 3.273 -11.719 1.00 0.00 H new ATOM 591 N ARG A 40 89.255 1.300 -10.054 1.00 0.00 N ATOM 592 CA ARG A 40 90.473 0.532 -10.279 1.00 0.00 C ATOM 593 C ARG A 40 91.011 0.798 -11.683 1.00 0.00 C ATOM 594 O ARG A 40 90.229 0.925 -12.626 1.00 0.00 O ATOM 595 CB ARG A 40 90.169 -0.957 -10.102 1.00 0.00 C ATOM 596 CG ARG A 40 89.270 -1.443 -11.243 1.00 0.00 C ATOM 597 CD ARG A 40 88.681 -2.828 -10.944 1.00 0.00 C ATOM 598 NE ARG A 40 89.113 -3.776 -11.965 1.00 0.00 N ATOM 599 CZ ARG A 40 88.481 -3.867 -13.131 1.00 0.00 C ATOM 600 NH1 ARG A 40 87.191 -3.678 -13.189 1.00 0.00 N ATOM 601 NH2 ARG A 40 89.161 -4.074 -14.225 1.00 0.00 N ATOM 0 H ARG A 40 88.851 1.720 -10.891 1.00 0.00 H new ATOM 0 HA ARG A 40 91.231 0.834 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 40 91.097 -1.528 -10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 40 89.679 -1.126 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.462 -0.729 -11.400 1.00 0.00 H new ATOM 0 HG3 ARG A 40 89.844 -1.483 -12.168 1.00 0.00 H new ATOM 0 HD2 ARG A 40 89.004 -3.167 -9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 40 87.593 -2.774 -10.921 1.00 0.00 H new ATOM 0 HE ARG A 40 89.914 -4.380 -11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.669 -3.461 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 40 86.705 -3.748 -14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 40 90.176 -4.166 -14.185 1.00 0.00 H new ATOM 0 HH22 ARG A 40 88.678 -4.144 -15.120 1.00 0.00 H new ATOM 658 N PRO A 45 85.075 4.264 -12.728 1.00 0.00 N ATOM 659 CA PRO A 45 84.293 3.951 -11.500 1.00 0.00 C ATOM 660 C PRO A 45 82.902 3.435 -11.856 1.00 0.00 C ATOM 661 O PRO A 45 82.283 3.915 -12.805 1.00 0.00 O ATOM 662 CB PRO A 45 84.226 5.281 -10.734 1.00 0.00 C ATOM 663 CG PRO A 45 84.992 6.294 -11.527 1.00 0.00 C ATOM 664 CD PRO A 45 85.795 5.540 -12.588 1.00 0.00 C ATOM 0 HA PRO A 45 84.752 3.163 -10.903 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.191 5.598 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.653 5.172 -9.737 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.313 7.007 -11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.656 6.865 -10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.827 6.087 -13.530 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.827 5.385 -12.274 1.00 0.00 H new ATOM 672 N THR A 46 82.400 2.480 -11.078 1.00 0.00 N ATOM 673 CA THR A 46 81.061 1.943 -11.306 1.00 0.00 C ATOM 674 C THR A 46 80.345 1.688 -9.983 1.00 0.00 C ATOM 675 O THR A 46 80.925 1.144 -9.044 1.00 0.00 O ATOM 676 CB THR A 46 81.153 0.638 -12.101 1.00 0.00 C ATOM 677 OG1 THR A 46 79.866 0.043 -12.179 1.00 0.00 O ATOM 678 CG2 THR A 46 82.117 -0.324 -11.406 1.00 0.00 C ATOM 0 H THR A 46 82.896 2.064 -10.289 1.00 0.00 H new ATOM 0 HA THR A 46 80.489 2.677 -11.874 1.00 0.00 H new ATOM 0 HB THR A 46 81.520 0.852 -13.105 1.00 0.00 H new ATOM 0 HG1 THR A 46 79.922 -0.792 -12.689 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.179 -1.251 -11.975 1.00 0.00 H new ATOM 0 HG22 THR A 46 83.105 0.132 -11.346 1.00 0.00 H new ATOM 0 HG23 THR A 46 81.755 -0.539 -10.401 1.00 0.00 H new ATOM 686 N THR A 47 79.100 2.143 -9.896 1.00 0.00 N ATOM 687 CA THR A 47 78.303 1.914 -8.697 1.00 0.00 C ATOM 688 C THR A 47 78.102 0.418 -8.485 1.00 0.00 C ATOM 689 O THR A 47 77.410 -0.232 -9.270 1.00 0.00 O ATOM 690 CB THR A 47 76.943 2.606 -8.836 1.00 0.00 C ATOM 691 OG1 THR A 47 77.125 3.895 -9.402 1.00 0.00 O ATOM 692 CG2 THR A 47 76.285 2.746 -7.462 1.00 0.00 C ATOM 0 H THR A 47 78.625 2.666 -10.632 1.00 0.00 H new ATOM 0 HA THR A 47 78.828 2.328 -7.837 1.00 0.00 H new ATOM 0 HB THR A 47 76.302 2.006 -9.482 1.00 0.00 H new ATOM 0 HG1 THR A 47 77.846 4.361 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.319 3.239 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.142 1.758 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 47 76.925 3.341 -6.811 1.00 0.00 H new ATOM 700 N VAL A 48 78.502 -0.074 -7.315 1.00 0.00 N ATOM 701 CA VAL A 48 78.378 -1.501 -7.035 1.00 0.00 C ATOM 702 C VAL A 48 77.091 -1.758 -6.257 1.00 0.00 C ATOM 703 O VAL A 48 76.468 -2.801 -6.445 1.00 0.00 O ATOM 704 CB VAL A 48 79.597 -1.957 -6.216 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.237 -3.059 -5.213 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.696 -2.497 -7.137 1.00 0.00 C ATOM 0 H VAL A 48 78.906 0.481 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 48 78.341 -2.063 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 48 79.948 -1.080 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.128 -3.350 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.482 -2.688 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.845 -3.924 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.549 -2.814 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.313 -3.347 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 48 81.009 -1.714 -7.828 1.00 0.00 H new ATOM 716 N ILE A 49 76.623 -0.778 -5.490 1.00 0.00 N ATOM 717 CA ILE A 49 75.353 -0.891 -4.791 1.00 0.00 C ATOM 718 C ILE A 49 74.709 0.492 -4.762 1.00 0.00 C ATOM 719 O ILE A 49 75.404 1.495 -4.594 1.00 0.00 O ATOM 720 CB ILE A 49 75.618 -1.446 -3.385 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.675 -2.977 -3.425 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.513 -0.995 -2.427 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.158 -3.510 -2.075 1.00 0.00 C ATOM 0 H ILE A 49 77.109 0.106 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 49 74.667 -1.575 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 49 76.576 -1.063 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.689 -3.381 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.347 -3.305 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.709 -1.394 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.491 0.094 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.551 -1.364 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.197 -4.599 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.152 -3.117 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.469 -3.195 -1.292 1.00 0.00 H new ATOM 735 N TYR A 50 73.380 0.531 -4.710 1.00 0.00 N ATOM 736 CA TYR A 50 72.659 1.790 -4.562 1.00 0.00 C ATOM 737 C TYR A 50 71.593 1.654 -3.480 1.00 0.00 C ATOM 738 O TYR A 50 71.408 0.570 -2.926 1.00 0.00 O ATOM 739 CB TYR A 50 72.027 2.176 -5.902 1.00 0.00 C ATOM 740 CG TYR A 50 71.628 3.632 -5.886 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.565 4.605 -6.250 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.332 4.008 -5.511 1.00 0.00 C ATOM 743 CE1 TYR A 50 72.217 5.960 -6.200 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.980 5.363 -5.478 1.00 0.00 C ATOM 745 CZ TYR A 50 70.917 6.338 -5.839 1.00 0.00 C ATOM 746 OH TYR A 50 70.572 7.674 -5.798 1.00 0.00 O ATOM 0 H TYR A 50 72.782 -0.294 -4.768 1.00 0.00 H new ATOM 0 HA TYR A 50 73.352 2.576 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.733 1.993 -6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.153 1.553 -6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.554 4.312 -6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.605 3.254 -5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 50 72.951 6.715 -6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.986 5.656 -5.174 1.00 0.00 H new ATOM 0 HH TYR A 50 69.633 7.761 -5.530 1.00 0.00 H new ATOM 756 N GLU A 51 71.103 2.793 -3.002 1.00 0.00 N ATOM 757 CA GLU A 51 70.182 2.810 -1.871 1.00 0.00 C ATOM 758 C GLU A 51 70.676 1.898 -0.751 1.00 0.00 C ATOM 759 O GLU A 51 69.888 1.299 -0.020 1.00 0.00 O ATOM 760 CB GLU A 51 68.817 2.312 -2.359 1.00 0.00 C ATOM 761 CG GLU A 51 67.791 2.360 -1.219 1.00 0.00 C ATOM 762 CD GLU A 51 66.419 2.786 -1.736 1.00 0.00 C ATOM 763 OE1 GLU A 51 65.679 1.919 -2.171 1.00 0.00 O ATOM 764 OE2 GLU A 51 66.158 3.978 -1.752 1.00 0.00 O ATOM 0 H GLU A 51 71.327 3.714 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 51 70.112 3.825 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.475 2.927 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 51 68.907 1.292 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.718 1.379 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.127 3.057 -0.451 1.00 0.00 H new ATOM 771 N ASP A 52 71.984 1.674 -0.744 1.00 0.00 N ATOM 772 CA ASP A 52 72.648 0.795 0.215 1.00 0.00 C ATOM 773 C ASP A 52 71.832 -0.484 0.362 1.00 0.00 C ATOM 774 O ASP A 52 72.129 -1.317 1.218 1.00 0.00 O ATOM 775 CB ASP A 52 72.784 1.474 1.587 1.00 0.00 C ATOM 776 CG ASP A 52 71.619 2.424 1.844 1.00 0.00 C ATOM 777 OD1 ASP A 52 71.552 3.436 1.167 1.00 0.00 O ATOM 778 OD2 ASP A 52 70.768 2.088 2.651 1.00 0.00 O ATOM 0 H ASP A 52 72.624 2.103 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 52 73.648 0.568 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 52 72.820 0.716 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.724 2.024 1.633 1.00 0.00 H new ATOM 783 N ASN A 53 70.986 -0.747 -0.631 1.00 0.00 N ATOM 784 CA ASN A 53 70.292 -2.021 -0.756 1.00 0.00 C ATOM 785 C ASN A 53 70.500 -2.591 -2.154 1.00 0.00 C ATOM 786 O ASN A 53 70.601 -3.804 -2.339 1.00 0.00 O ATOM 787 CB ASN A 53 68.815 -1.781 -0.426 1.00 0.00 C ATOM 788 CG ASN A 53 67.916 -2.835 -1.060 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.329 -3.656 -0.356 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.702 -2.793 -2.346 1.00 0.00 N ATOM 0 H ASN A 53 70.764 -0.081 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 53 70.687 -2.762 -0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.678 -1.789 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.520 -0.792 -0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 53 67.044 -3.444 -2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 53 68.193 -2.109 -2.923 1.00 0.00 H new ATOM 797 N GLN A 54 70.325 -1.705 -3.131 1.00 0.00 N ATOM 798 CA GLN A 54 70.246 -2.108 -4.530 1.00 0.00 C ATOM 799 C GLN A 54 71.492 -2.916 -4.878 1.00 0.00 C ATOM 800 O GLN A 54 72.588 -2.580 -4.429 1.00 0.00 O ATOM 801 CB GLN A 54 70.141 -0.858 -5.414 1.00 0.00 C ATOM 802 CG GLN A 54 68.861 -0.868 -6.253 1.00 0.00 C ATOM 803 CD GLN A 54 67.663 -0.761 -5.317 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.516 -0.840 -5.759 1.00 0.00 O ATOM 805 NE2 GLN A 54 67.869 -0.527 -4.050 1.00 0.00 N ATOM 0 H GLN A 54 70.235 -0.701 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 54 69.364 -2.725 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.159 0.034 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 54 71.008 -0.803 -6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.865 -0.037 -6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.801 -1.784 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 54 68.822 -0.463 -3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 54 67.077 -0.408 -3.418 1.00 0.00 H new ATOM 814 N ARG A 55 71.319 -4.028 -5.585 1.00 0.00 N ATOM 815 CA ARG A 55 72.456 -4.837 -6.016 1.00 0.00 C ATOM 816 C ARG A 55 72.347 -5.151 -7.509 1.00 0.00 C ATOM 817 O ARG A 55 71.504 -5.962 -7.893 1.00 0.00 O ATOM 818 CB ARG A 55 72.471 -6.130 -5.196 1.00 0.00 C ATOM 819 CG ARG A 55 73.856 -6.786 -5.235 1.00 0.00 C ATOM 820 CD ARG A 55 74.013 -7.762 -4.068 1.00 0.00 C ATOM 821 NE ARG A 55 73.123 -8.905 -4.240 1.00 0.00 N ATOM 822 CZ ARG A 55 71.866 -8.869 -3.809 1.00 0.00 C ATOM 823 NH1 ARG A 55 71.560 -8.188 -2.739 1.00 0.00 N ATOM 824 NH2 ARG A 55 70.937 -9.512 -4.461 1.00 0.00 N ATOM 0 H ARG A 55 70.409 -4.389 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 55 73.384 -4.289 -5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 55 72.195 -5.914 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.725 -6.822 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.990 -7.313 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.630 -6.020 -5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.046 -8.103 -4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 55 73.789 -7.256 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 55 73.471 -9.747 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 55 72.286 -7.682 -2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 55 70.595 -8.162 -2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 55 71.176 -10.041 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 55 69.972 -9.486 -4.132 1.00 0.00 H new ATOM 838 N PRO A 56 73.159 -4.580 -8.364 1.00 0.00 N ATOM 839 CA PRO A 56 73.124 -4.903 -9.820 1.00 0.00 C ATOM 840 C PRO A 56 73.574 -6.337 -10.088 1.00 0.00 C ATOM 841 O PRO A 56 74.558 -6.804 -9.515 1.00 0.00 O ATOM 842 CB PRO A 56 74.063 -3.889 -10.491 1.00 0.00 C ATOM 843 CG PRO A 56 74.585 -2.989 -9.416 1.00 0.00 C ATOM 844 CD PRO A 56 74.233 -3.619 -8.065 1.00 0.00 C ATOM 0 HA PRO A 56 72.111 -4.835 -10.216 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.883 -4.400 -10.996 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.530 -3.314 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.664 -2.867 -9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.143 -1.996 -9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 56 75.097 -4.116 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.901 -2.865 -7.352 1.00 0.00 H new ATOM 852 N SER A 57 72.932 -6.973 -11.063 1.00 0.00 N ATOM 853 CA SER A 57 73.326 -8.313 -11.482 1.00 0.00 C ATOM 854 C SER A 57 74.618 -8.275 -12.292 1.00 0.00 C ATOM 855 O SER A 57 75.284 -9.296 -12.466 1.00 0.00 O ATOM 856 CB SER A 57 72.203 -8.937 -12.313 1.00 0.00 C ATOM 857 OG SER A 57 71.033 -9.038 -11.515 1.00 0.00 O ATOM 0 H SER A 57 72.140 -6.584 -11.575 1.00 0.00 H new ATOM 0 HA SER A 57 73.504 -8.919 -10.593 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.005 -8.327 -13.195 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.502 -9.923 -12.668 1.00 0.00 H new ATOM 0 HG SER A 57 70.310 -9.436 -12.044 1.00 0.00 H new ATOM 863 N GLY A 58 74.952 -7.094 -12.804 1.00 0.00 N ATOM 864 CA GLY A 58 76.156 -6.929 -13.609 1.00 0.00 C ATOM 865 C GLY A 58 77.407 -7.189 -12.777 1.00 0.00 C ATOM 866 O GLY A 58 78.244 -8.012 -13.148 1.00 0.00 O ATOM 0 H GLY A 58 74.408 -6.241 -12.676 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.129 -7.615 -14.456 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.190 -5.919 -14.017 1.00 0.00 H new ATOM 870 N VAL A 59 77.504 -6.534 -11.624 1.00 0.00 N ATOM 871 CA VAL A 59 78.663 -6.705 -10.754 1.00 0.00 C ATOM 872 C VAL A 59 78.459 -7.922 -9.855 1.00 0.00 C ATOM 873 O VAL A 59 77.343 -8.155 -9.391 1.00 0.00 O ATOM 874 CB VAL A 59 78.884 -5.443 -9.913 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.672 -4.215 -10.801 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.910 -5.396 -8.731 1.00 0.00 C ATOM 0 H VAL A 59 76.800 -5.885 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 59 79.550 -6.867 -11.367 1.00 0.00 H new ATOM 0 HB VAL A 59 79.900 -5.454 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.827 -3.310 -10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.382 -4.237 -11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.656 -4.222 -11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 59 78.087 -4.491 -8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.886 -5.394 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 59 78.064 -6.270 -8.098 1.00 0.00 H new ATOM 886 N PRO A 60 79.503 -8.599 -9.459 1.00 0.00 N ATOM 887 CA PRO A 60 79.344 -9.812 -8.610 1.00 0.00 C ATOM 888 C PRO A 60 78.631 -9.454 -7.309 1.00 0.00 C ATOM 889 O PRO A 60 78.999 -8.483 -6.649 1.00 0.00 O ATOM 890 CB PRO A 60 80.775 -10.303 -8.351 1.00 0.00 C ATOM 891 CG PRO A 60 81.709 -9.405 -9.100 1.00 0.00 C ATOM 892 CD PRO A 60 80.871 -8.477 -9.985 1.00 0.00 C ATOM 0 HA PRO A 60 78.739 -10.583 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 60 80.999 -10.283 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 60 80.890 -11.335 -8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.316 -8.823 -8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.396 -9.993 -9.709 1.00 0.00 H new ATOM 0 HD2 PRO A 60 81.227 -7.448 -9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.921 -8.776 -11.032 1.00 0.00 H new ATOM 900 N ASP A 61 77.670 -10.277 -6.904 1.00 0.00 N ATOM 901 CA ASP A 61 76.952 -10.036 -5.655 1.00 0.00 C ATOM 902 C ASP A 61 77.905 -10.034 -4.464 1.00 0.00 C ATOM 903 O ASP A 61 77.467 -10.053 -3.314 1.00 0.00 O ATOM 904 CB ASP A 61 75.855 -11.082 -5.444 1.00 0.00 C ATOM 905 CG ASP A 61 76.461 -12.481 -5.403 1.00 0.00 C ATOM 906 OD1 ASP A 61 77.673 -12.576 -5.298 1.00 0.00 O ATOM 907 OD2 ASP A 61 75.701 -13.435 -5.420 1.00 0.00 O ATOM 0 H ASP A 61 77.372 -11.108 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 61 76.488 -9.052 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 61 75.324 -10.880 -4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 61 75.123 -11.019 -6.249 1.00 0.00 H new ATOM 912 N ARG A 62 79.189 -10.224 -4.747 1.00 0.00 N ATOM 913 CA ARG A 62 80.197 -10.301 -3.698 1.00 0.00 C ATOM 914 C ARG A 62 80.160 -9.081 -2.783 1.00 0.00 C ATOM 915 O ARG A 62 81.057 -8.907 -1.960 1.00 0.00 O ATOM 916 CB ARG A 62 81.584 -10.406 -4.333 1.00 0.00 C ATOM 917 CG ARG A 62 81.731 -11.772 -5.007 1.00 0.00 C ATOM 918 CD ARG A 62 83.064 -11.843 -5.756 1.00 0.00 C ATOM 919 NE ARG A 62 83.282 -10.622 -6.526 1.00 0.00 N ATOM 920 CZ ARG A 62 84.172 -9.711 -6.147 1.00 0.00 C ATOM 921 NH1 ARG A 62 85.374 -10.090 -5.813 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.817 -8.462 -6.006 1.00 0.00 N ATOM 0 H ARG A 62 79.555 -10.327 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 62 79.982 -11.183 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 62 81.722 -9.610 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 62 82.355 -10.278 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 62 81.682 -12.563 -4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.906 -11.936 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.880 -11.983 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 62 83.068 -12.706 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 62 82.738 -10.465 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 62 85.624 -11.078 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 62 86.064 -9.398 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 62 82.853 -8.182 -6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.504 -7.766 -5.715 1.00 0.00 H new ATOM 936 N PHE A 63 79.194 -8.187 -2.979 1.00 0.00 N ATOM 937 CA PHE A 63 79.059 -7.013 -2.121 1.00 0.00 C ATOM 938 C PHE A 63 77.716 -7.028 -1.402 1.00 0.00 C ATOM 939 O PHE A 63 76.701 -7.418 -1.980 1.00 0.00 O ATOM 940 CB PHE A 63 79.174 -5.740 -2.962 1.00 0.00 C ATOM 941 CG PHE A 63 80.258 -5.937 -3.993 1.00 0.00 C ATOM 942 CD1 PHE A 63 81.569 -5.532 -3.718 1.00 0.00 C ATOM 943 CD2 PHE A 63 79.912 -6.364 -5.280 1.00 0.00 C ATOM 944 CE1 PHE A 63 82.560 -5.668 -4.698 1.00 0.00 C ATOM 945 CE2 PHE A 63 80.905 -6.507 -6.257 1.00 0.00 C ATOM 946 CZ PHE A 63 82.229 -6.158 -5.967 1.00 0.00 C ATOM 0 H PHE A 63 78.497 -8.252 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 63 79.856 -7.033 -1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 63 78.224 -5.522 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 63 79.408 -4.887 -2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.816 -5.116 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 63 78.882 -6.583 -5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 63 83.581 -5.395 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 63 80.649 -6.887 -7.235 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.994 -6.267 -6.721 1.00 0.00 H new ATOM 956 N SER A 64 77.704 -6.570 -0.153 1.00 0.00 N ATOM 957 CA SER A 64 76.454 -6.514 0.601 1.00 0.00 C ATOM 958 C SER A 64 76.317 -5.189 1.335 1.00 0.00 C ATOM 959 O SER A 64 76.928 -4.990 2.377 1.00 0.00 O ATOM 960 CB SER A 64 76.378 -7.682 1.587 1.00 0.00 C ATOM 961 OG SER A 64 75.028 -7.914 1.963 1.00 0.00 O ATOM 0 H SER A 64 78.527 -6.239 0.351 1.00 0.00 H new ATOM 0 HA SER A 64 75.627 -6.594 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.797 -8.580 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.977 -7.462 2.470 1.00 0.00 H new ATOM 0 HG SER A 64 74.988 -8.664 2.593 1.00 0.00 H new ATOM 967 N GLY A 65 75.210 -4.525 1.035 1.00 0.00 N ATOM 968 CA GLY A 65 74.881 -3.235 1.625 1.00 0.00 C ATOM 969 C GLY A 65 73.794 -3.391 2.683 1.00 0.00 C ATOM 970 O GLY A 65 72.695 -3.856 2.380 1.00 0.00 O ATOM 0 H GLY A 65 74.513 -4.867 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.772 -2.796 2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.544 -2.549 0.848 1.00 0.00 H new ATOM 974 N SER A 66 74.098 -3.024 3.925 1.00 0.00 N ATOM 975 CA SER A 66 73.123 -3.175 4.999 1.00 0.00 C ATOM 976 C SER A 66 73.380 -2.172 6.117 1.00 0.00 C ATOM 977 O SER A 66 74.436 -1.542 6.176 1.00 0.00 O ATOM 978 CB SER A 66 73.186 -4.594 5.567 1.00 0.00 C ATOM 979 OG SER A 66 74.243 -4.681 6.513 1.00 0.00 O ATOM 0 H SER A 66 74.994 -2.627 4.209 1.00 0.00 H new ATOM 0 HA SER A 66 72.133 -2.988 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.238 -4.850 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.344 -5.312 4.762 1.00 0.00 H new ATOM 0 HG SER A 66 75.002 -4.142 6.206 1.00 0.00 H new ATOM 985 N ILE A 67 72.347 -1.949 6.923 1.00 0.00 N ATOM 986 CA ILE A 67 72.398 -0.966 8.001 1.00 0.00 C ATOM 987 C ILE A 67 71.644 -1.485 9.220 1.00 0.00 C ATOM 988 O ILE A 67 71.230 -2.644 9.239 1.00 0.00 O ATOM 989 CB ILE A 67 71.764 0.349 7.532 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.663 0.030 6.514 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.824 1.266 6.910 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.641 1.168 6.466 1.00 0.00 C ATOM 0 H ILE A 67 71.456 -2.441 6.849 1.00 0.00 H new ATOM 0 HA ILE A 67 73.440 -0.793 8.271 1.00 0.00 H new ATOM 0 HB ILE A 67 71.332 0.872 8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 67 71.102 -0.116 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.167 -0.902 6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.355 2.194 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.592 1.489 7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 67 73.279 0.768 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.864 0.929 5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.190 1.294 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 67 70.139 2.092 6.174 1.00 0.00 H new ATOM 1004 N ASP A 68 71.926 -0.818 10.333 1.00 0.00 N ATOM 1005 CA ASP A 68 71.274 -1.110 11.607 1.00 0.00 C ATOM 1006 C ASP A 68 70.297 -0.015 12.028 1.00 0.00 C ATOM 1007 O ASP A 68 70.584 1.173 11.879 1.00 0.00 O ATOM 1008 CB ASP A 68 72.344 -1.334 12.674 1.00 0.00 C ATOM 1009 CG ASP A 68 73.138 -2.588 12.324 1.00 0.00 C ATOM 1010 OD1 ASP A 68 72.523 -3.633 12.195 1.00 0.00 O ATOM 1011 OD2 ASP A 68 74.312 -2.456 12.023 1.00 0.00 O ATOM 0 H ASP A 68 72.610 -0.063 10.380 1.00 0.00 H new ATOM 0 HA ASP A 68 70.679 -2.015 11.487 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.008 -0.471 12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.881 -1.443 13.655 1.00 0.00 H new ATOM 1016 N SER A 69 69.215 -0.407 12.694 1.00 0.00 N ATOM 1017 CA SER A 69 68.275 0.564 13.245 1.00 0.00 C ATOM 1018 C SER A 69 68.913 1.347 14.388 1.00 0.00 C ATOM 1019 O SER A 69 68.256 2.156 15.044 1.00 0.00 O ATOM 1020 CB SER A 69 67.019 -0.151 13.749 1.00 0.00 C ATOM 1021 OG SER A 69 67.387 -1.170 14.668 1.00 0.00 O ATOM 0 H SER A 69 68.968 -1.382 12.864 1.00 0.00 H new ATOM 0 HA SER A 69 68.002 1.263 12.454 1.00 0.00 H new ATOM 0 HB2 SER A 69 66.350 0.563 14.230 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.473 -0.583 12.910 1.00 0.00 H new ATOM 0 HG SER A 69 66.582 -1.626 14.991 1.00 0.00 H new ATOM 1027 N SER A 70 70.187 1.070 14.647 1.00 0.00 N ATOM 1028 CA SER A 70 70.919 1.763 15.700 1.00 0.00 C ATOM 1029 C SER A 70 71.204 3.208 15.305 1.00 0.00 C ATOM 1030 O SER A 70 71.115 4.117 16.130 1.00 0.00 O ATOM 1031 CB SER A 70 72.239 1.036 15.966 1.00 0.00 C ATOM 1032 OG SER A 70 71.975 -0.169 16.669 1.00 0.00 O ATOM 0 H SER A 70 70.733 0.371 14.143 1.00 0.00 H new ATOM 0 HA SER A 70 70.307 1.766 16.602 1.00 0.00 H new ATOM 0 HB2 SER A 70 72.744 0.819 15.025 1.00 0.00 H new ATOM 0 HB3 SER A 70 72.907 1.671 16.547 1.00 0.00 H new ATOM 0 HG SER A 70 72.818 -0.639 16.840 1.00 0.00 H new ATOM 1038 N SER A 71 71.598 3.402 14.050 1.00 0.00 N ATOM 1039 CA SER A 71 71.934 4.730 13.550 1.00 0.00 C ATOM 1040 C SER A 71 73.352 5.115 13.962 1.00 0.00 C ATOM 1041 O SER A 71 73.630 6.284 14.236 1.00 0.00 O ATOM 1042 CB SER A 71 70.927 5.768 14.058 1.00 0.00 C ATOM 1043 OG SER A 71 69.659 5.152 14.228 1.00 0.00 O ATOM 0 H SER A 71 71.692 2.656 13.361 1.00 0.00 H new ATOM 0 HA SER A 71 71.886 4.708 12.461 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.268 6.190 15.003 1.00 0.00 H new ATOM 0 HB3 SER A 71 70.851 6.593 13.350 1.00 0.00 H new ATOM 0 HG SER A 71 69.015 5.814 14.554 1.00 0.00 H new ATOM 1049 N ASN A 72 74.205 4.110 14.144 1.00 0.00 N ATOM 1050 CA ASN A 72 75.578 4.339 14.587 1.00 0.00 C ATOM 1051 C ASN A 72 76.536 4.358 13.400 1.00 0.00 C ATOM 1052 O ASN A 72 77.474 5.155 13.362 1.00 0.00 O ATOM 1053 CB ASN A 72 75.996 3.242 15.570 1.00 0.00 C ATOM 1054 CG ASN A 72 77.182 3.703 16.412 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.504 4.891 16.440 1.00 0.00 O ATOM 1056 ND2 ASN A 72 77.845 2.828 17.119 1.00 0.00 N ATOM 0 H ASN A 72 73.970 3.129 13.992 1.00 0.00 H new ATOM 0 HA ASN A 72 75.622 5.309 15.082 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.158 2.989 16.219 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.260 2.337 15.023 1.00 0.00 H new ATOM 0 HD21 ASN A 72 78.631 3.128 17.696 1.00 0.00 H new ATOM 0 HD22 ASN A 72 77.577 1.844 17.095 1.00 0.00 H new ATOM 1063 N SER A 73 76.354 3.413 12.482 1.00 0.00 N ATOM 1064 CA SER A 73 77.212 3.358 11.302 1.00 0.00 C ATOM 1065 C SER A 73 76.613 2.465 10.219 1.00 0.00 C ATOM 1066 O SER A 73 75.876 1.527 10.525 1.00 0.00 O ATOM 1067 CB SER A 73 78.600 2.851 11.698 1.00 0.00 C ATOM 1068 OG SER A 73 78.500 1.522 12.190 1.00 0.00 O ATOM 0 H SER A 73 75.637 2.689 12.529 1.00 0.00 H new ATOM 0 HA SER A 73 77.295 4.365 10.893 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.268 2.882 10.838 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.031 3.500 12.460 1.00 0.00 H new ATOM 0 HG SER A 73 79.390 1.198 12.441 1.00 0.00 H new ATOM 1074 N ALA A 74 77.183 2.528 9.019 1.00 0.00 N ATOM 1075 CA ALA A 74 76.665 1.749 7.898 1.00 0.00 C ATOM 1076 C ALA A 74 77.643 0.631 7.557 1.00 0.00 C ATOM 1077 O ALA A 74 78.853 0.847 7.511 1.00 0.00 O ATOM 1078 CB ALA A 74 76.479 2.640 6.668 1.00 0.00 C ATOM 0 H ALA A 74 77.995 3.104 8.799 1.00 0.00 H new ATOM 0 HA ALA A 74 75.701 1.328 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.092 2.043 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.774 3.438 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.438 3.074 6.385 1.00 0.00 H new ATOM 1084 N SER A 75 77.119 -0.593 7.551 1.00 0.00 N ATOM 1085 CA SER A 75 77.960 -1.789 7.460 1.00 0.00 C ATOM 1086 C SER A 75 77.599 -2.686 6.278 1.00 0.00 C ATOM 1087 O SER A 75 76.417 -2.791 5.953 1.00 0.00 O ATOM 1088 CB SER A 75 77.823 -2.638 8.724 1.00 0.00 C ATOM 1089 OG SER A 75 77.904 -1.811 9.874 1.00 0.00 O ATOM 0 H SER A 75 76.119 -0.785 7.608 1.00 0.00 H new ATOM 0 HA SER A 75 78.977 -1.420 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.871 -3.169 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.609 -3.393 8.752 1.00 0.00 H new ATOM 0 HG SER A 75 77.814 -2.361 10.680 1.00 0.00 H new ATOM 1095 N LEU A 76 78.550 -2.801 5.357 1.00 0.00 N ATOM 1096 CA LEU A 76 78.507 -3.767 4.262 1.00 0.00 C ATOM 1097 C LEU A 76 79.243 -5.085 4.509 1.00 0.00 C ATOM 1098 O LEU A 76 80.369 -5.073 4.995 1.00 0.00 O ATOM 1099 CB LEU A 76 78.899 -3.073 2.954 1.00 0.00 C ATOM 1100 CG LEU A 76 79.542 -4.055 1.965 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.359 -3.515 0.544 1.00 0.00 C ATOM 1102 CD2 LEU A 76 81.032 -4.218 2.291 1.00 0.00 C ATOM 0 H LEU A 76 79.386 -2.217 5.349 1.00 0.00 H new ATOM 0 HA LEU A 76 77.474 -4.107 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.015 -2.625 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.595 -2.261 3.166 1.00 0.00 H new ATOM 0 HG LEU A 76 79.065 -5.032 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.812 -4.204 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.296 -3.416 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.839 -2.540 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.484 -4.916 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.529 -3.251 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.143 -4.603 3.305 1.00 0.00 H new ATOM 1114 N THR A 77 78.673 -6.205 4.065 1.00 0.00 N ATOM 1115 CA THR A 77 79.405 -7.472 3.975 1.00 0.00 C ATOM 1116 C THR A 77 79.806 -7.807 2.536 1.00 0.00 C ATOM 1117 O THR A 77 78.959 -8.059 1.682 1.00 0.00 O ATOM 1118 CB THR A 77 78.509 -8.556 4.583 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.813 -8.686 5.964 1.00 0.00 O ATOM 1120 CG2 THR A 77 78.665 -9.922 3.906 1.00 0.00 C ATOM 0 H THR A 77 77.701 -6.262 3.760 1.00 0.00 H new ATOM 0 HA THR A 77 80.343 -7.401 4.525 1.00 0.00 H new ATOM 0 HB THR A 77 77.477 -8.240 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.636 -8.194 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.003 -10.643 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.406 -9.837 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 77 79.697 -10.259 4.000 1.00 0.00 H new ATOM 1128 N ILE A 78 81.087 -8.103 2.332 1.00 0.00 N ATOM 1129 CA ILE A 78 81.575 -8.596 1.044 1.00 0.00 C ATOM 1130 C ILE A 78 81.937 -10.074 1.151 1.00 0.00 C ATOM 1131 O ILE A 78 82.995 -10.430 1.669 1.00 0.00 O ATOM 1132 CB ILE A 78 82.774 -7.749 0.592 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.272 -6.496 -0.141 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.720 -8.528 -0.331 1.00 0.00 C ATOM 1135 CD1 ILE A 78 83.229 -5.328 0.099 1.00 0.00 C ATOM 0 H ILE A 78 81.810 -8.010 3.045 1.00 0.00 H new ATOM 0 HA ILE A 78 80.791 -8.504 0.292 1.00 0.00 H new ATOM 0 HB ILE A 78 83.333 -7.472 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 78 82.193 -6.698 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 78 81.273 -6.236 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.552 -7.887 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 78 84.103 -9.402 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 78 83.178 -8.848 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.864 -4.445 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.286 -5.118 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 78 84.220 -5.587 -0.274 1.00 0.00 H new ATOM 1147 N SER A 79 81.111 -10.914 0.535 1.00 0.00 N ATOM 1148 CA SER A 79 81.365 -12.351 0.496 1.00 0.00 C ATOM 1149 C SER A 79 81.909 -12.769 -0.866 1.00 0.00 C ATOM 1150 O SER A 79 82.035 -11.945 -1.772 1.00 0.00 O ATOM 1151 CB SER A 79 80.073 -13.117 0.784 1.00 0.00 C ATOM 1152 OG SER A 79 80.244 -14.483 0.440 1.00 0.00 O ATOM 0 H SER A 79 80.259 -10.624 0.055 1.00 0.00 H new ATOM 0 HA SER A 79 82.109 -12.586 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.812 -13.027 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 79 79.249 -12.688 0.214 1.00 0.00 H new ATOM 0 HG SER A 79 79.416 -14.973 0.626 1.00 0.00 H new ATOM 1158 N GLY A 80 82.313 -14.030 -0.976 1.00 0.00 N ATOM 1159 CA GLY A 80 82.868 -14.536 -2.225 1.00 0.00 C ATOM 1160 C GLY A 80 84.088 -13.721 -2.641 1.00 0.00 C ATOM 1161 O GLY A 80 84.567 -13.836 -3.770 1.00 0.00 O ATOM 0 H GLY A 80 82.267 -14.715 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.147 -15.583 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.112 -14.494 -3.009 1.00 0.00 H new ATOM 1165 N LEU A 81 84.661 -13.002 -1.681 1.00 0.00 N ATOM 1166 CA LEU A 81 85.816 -12.155 -1.954 1.00 0.00 C ATOM 1167 C LEU A 81 86.854 -12.918 -2.767 1.00 0.00 C ATOM 1168 O LEU A 81 87.056 -14.114 -2.559 1.00 0.00 O ATOM 1169 CB LEU A 81 86.431 -11.675 -0.636 1.00 0.00 C ATOM 1170 CG LEU A 81 87.785 -10.987 -0.867 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.915 -9.769 0.052 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.939 -11.954 -0.581 1.00 0.00 C ATOM 0 H LEU A 81 84.346 -12.989 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 81 85.489 -11.291 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.748 -10.982 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.562 -12.523 0.036 1.00 0.00 H new ATOM 0 HG LEU A 81 87.833 -10.672 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.878 -9.286 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.112 -9.064 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.848 -10.089 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.889 -11.447 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.886 -12.288 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.864 -12.816 -1.244 1.00 0.00 H new ATOM 1184 N LYS A 82 87.514 -12.217 -3.683 1.00 0.00 N ATOM 1185 CA LYS A 82 88.530 -12.848 -4.514 1.00 0.00 C ATOM 1186 C LYS A 82 89.402 -11.785 -5.171 1.00 0.00 C ATOM 1187 O LYS A 82 89.074 -10.599 -5.145 1.00 0.00 O ATOM 1188 CB LYS A 82 87.843 -13.731 -5.565 1.00 0.00 C ATOM 1189 CG LYS A 82 88.440 -15.140 -5.568 1.00 0.00 C ATOM 1190 CD LYS A 82 87.578 -16.074 -6.419 1.00 0.00 C ATOM 1191 CE LYS A 82 88.269 -17.433 -6.560 1.00 0.00 C ATOM 1192 NZ LYS A 82 89.371 -17.326 -7.556 1.00 0.00 N ATOM 0 H LYS A 82 87.366 -11.225 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 82 89.176 -13.475 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.774 -13.785 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.954 -13.282 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.456 -15.112 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.503 -15.519 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.598 -16.200 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.413 -15.636 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 82 88.665 -17.754 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 82 87.550 -18.188 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 89.456 -18.222 -8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 89.162 -16.556 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 90.265 -17.125 -7.064 1.00 0.00 H new ATOM 1206 N THR A 83 90.409 -12.240 -5.906 1.00 0.00 N ATOM 1207 CA THR A 83 91.260 -11.334 -6.666 1.00 0.00 C ATOM 1208 C THR A 83 90.395 -10.327 -7.413 1.00 0.00 C ATOM 1209 O THR A 83 90.873 -9.287 -7.868 1.00 0.00 O ATOM 1210 CB THR A 83 92.122 -12.118 -7.660 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.419 -11.297 -8.779 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.365 -13.361 -8.133 1.00 0.00 C ATOM 0 H THR A 83 90.655 -13.226 -5.992 1.00 0.00 H new ATOM 0 HA THR A 83 91.918 -10.806 -5.976 1.00 0.00 H new ATOM 0 HB THR A 83 93.048 -12.421 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.972 -11.798 -9.415 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.982 -13.916 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 83 91.135 -13.995 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.438 -13.059 -8.620 1.00 0.00 H new ATOM 1220 N GLU A 84 89.132 -10.691 -7.603 1.00 0.00 N ATOM 1221 CA GLU A 84 88.188 -9.798 -8.263 1.00 0.00 C ATOM 1222 C GLU A 84 87.811 -8.621 -7.369 1.00 0.00 C ATOM 1223 O GLU A 84 87.711 -7.488 -7.840 1.00 0.00 O ATOM 1224 CB GLU A 84 86.923 -10.568 -8.647 1.00 0.00 C ATOM 1225 CG GLU A 84 87.258 -11.584 -9.739 1.00 0.00 C ATOM 1226 CD GLU A 84 86.078 -12.529 -9.943 1.00 0.00 C ATOM 1227 OE1 GLU A 84 85.123 -12.420 -9.192 1.00 0.00 O ATOM 1228 OE2 GLU A 84 86.181 -13.395 -10.796 1.00 0.00 O ATOM 0 H GLU A 84 88.741 -11.588 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 84 88.672 -9.407 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.515 -11.077 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.157 -9.878 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.488 -11.068 -10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 84 88.146 -12.151 -9.461 1.00 0.00 H new ATOM 1235 N ASP A 85 87.652 -8.878 -6.075 1.00 0.00 N ATOM 1236 CA ASP A 85 87.269 -7.813 -5.155 1.00 0.00 C ATOM 1237 C ASP A 85 88.445 -6.871 -4.919 1.00 0.00 C ATOM 1238 O ASP A 85 88.264 -5.770 -4.401 1.00 0.00 O ATOM 1239 CB ASP A 85 86.793 -8.413 -3.826 1.00 0.00 C ATOM 1240 CG ASP A 85 85.271 -8.373 -3.716 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.729 -7.281 -3.755 1.00 0.00 O ATOM 1242 OD2 ASP A 85 84.667 -9.425 -3.594 1.00 0.00 O ATOM 0 H ASP A 85 87.779 -9.795 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 85 86.451 -7.243 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 85 87.139 -9.443 -3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.235 -7.862 -2.996 1.00 0.00 H new ATOM 1247 N GLU A 86 89.621 -7.255 -5.399 1.00 0.00 N ATOM 1248 CA GLU A 86 90.792 -6.398 -5.261 1.00 0.00 C ATOM 1249 C GLU A 86 90.528 -5.050 -5.923 1.00 0.00 C ATOM 1250 O GLU A 86 90.284 -4.989 -7.128 1.00 0.00 O ATOM 1251 CB GLU A 86 91.998 -7.058 -5.930 1.00 0.00 C ATOM 1252 CG GLU A 86 93.270 -6.298 -5.549 1.00 0.00 C ATOM 1253 CD GLU A 86 94.496 -7.018 -6.100 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.368 -8.177 -6.458 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.540 -6.392 -6.176 1.00 0.00 O ATOM 0 H GLU A 86 89.789 -8.139 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 86 90.998 -6.249 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.076 -8.099 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.872 -7.058 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.228 -5.282 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.343 -6.217 -4.465 1.00 0.00 H new ATOM 1262 N ALA A 87 90.644 -3.973 -5.151 1.00 0.00 N ATOM 1263 CA ALA A 87 90.421 -2.632 -5.680 1.00 0.00 C ATOM 1264 C ALA A 87 90.169 -1.641 -4.547 1.00 0.00 C ATOM 1265 O ALA A 87 90.334 -1.963 -3.370 1.00 0.00 O ATOM 1266 CB ALA A 87 89.229 -2.630 -6.645 1.00 0.00 C ATOM 0 H ALA A 87 90.890 -4.003 -4.162 1.00 0.00 H new ATOM 0 HA ALA A 87 91.317 -2.327 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.075 -1.622 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.430 -3.309 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.333 -2.957 -6.117 1.00 0.00 H new ATOM 1272 N ASP A 88 89.866 -0.401 -4.922 1.00 0.00 N ATOM 1273 CA ASP A 88 89.562 0.647 -3.954 1.00 0.00 C ATOM 1274 C ASP A 88 88.064 0.707 -3.667 1.00 0.00 C ATOM 1275 O ASP A 88 87.250 0.705 -4.591 1.00 0.00 O ATOM 1276 CB ASP A 88 90.036 1.995 -4.499 1.00 0.00 C ATOM 1277 CG ASP A 88 91.552 1.983 -4.673 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.201 1.210 -3.987 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.042 2.749 -5.486 1.00 0.00 O ATOM 0 H ASP A 88 89.825 -0.097 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 88 90.081 0.420 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 88 89.554 2.200 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 88 89.746 2.795 -3.817 1.00 0.00 H new ATOM 1284 N TYR A 89 87.709 0.837 -2.391 1.00 0.00 N ATOM 1285 CA TYR A 89 86.309 0.885 -1.975 1.00 0.00 C ATOM 1286 C TYR A 89 85.999 2.200 -1.266 1.00 0.00 C ATOM 1287 O TYR A 89 86.755 2.650 -0.404 1.00 0.00 O ATOM 1288 CB TYR A 89 86.018 -0.273 -1.018 1.00 0.00 C ATOM 1289 CG TYR A 89 85.998 -1.574 -1.786 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.187 -2.068 -2.337 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.843 -2.366 -1.800 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.192 -3.293 -3.011 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.848 -3.595 -2.472 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.021 -4.056 -3.080 1.00 0.00 C ATOM 1295 OH TYR A 89 86.025 -5.271 -3.733 1.00 0.00 O ATOM 0 H TYR A 89 88.376 0.911 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 89 85.685 0.805 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.777 -0.312 -0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.060 -0.117 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.102 -1.502 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.950 -2.030 -1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.098 -3.650 -3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.946 -4.187 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 89 85.257 -5.804 -3.438 1.00 0.00 H new ATOM 1305 N TYR A 90 84.894 2.825 -1.662 1.00 0.00 N ATOM 1306 CA TYR A 90 84.496 4.117 -1.112 1.00 0.00 C ATOM 1307 C TYR A 90 82.977 4.268 -1.154 1.00 0.00 C ATOM 1308 O TYR A 90 82.330 3.694 -2.031 1.00 0.00 O ATOM 1309 CB TYR A 90 85.183 5.263 -1.860 1.00 0.00 C ATOM 1310 CG TYR A 90 85.056 5.065 -3.352 1.00 0.00 C ATOM 1311 CD1 TYR A 90 85.853 4.110 -3.993 1.00 0.00 C ATOM 1312 CD2 TYR A 90 84.313 5.972 -4.117 1.00 0.00 C ATOM 1313 CE1 TYR A 90 85.772 3.951 -5.381 1.00 0.00 C ATOM 1314 CE2 TYR A 90 84.305 5.872 -5.513 1.00 0.00 C ATOM 1315 CZ TYR A 90 85.038 4.863 -6.147 1.00 0.00 C ATOM 1316 OH TYR A 90 84.855 4.641 -7.496 1.00 0.00 O ATOM 0 H TYR A 90 84.255 2.455 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 90 84.815 4.161 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.735 6.214 -1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 90 86.236 5.309 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.530 3.496 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 90 83.745 6.750 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.276 3.125 -5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 90 83.733 6.574 -6.101 1.00 0.00 H new ATOM 0 HH TYR A 90 84.317 3.832 -7.624 1.00 0.00 H new ATOM 1326 N CYS A 91 82.417 5.099 -0.272 1.00 0.00 N ATOM 1327 CA CYS A 91 80.967 5.202 -0.105 1.00 0.00 C ATOM 1328 C CYS A 91 80.532 6.629 -0.459 1.00 0.00 C ATOM 1329 O CYS A 91 81.269 7.577 -0.188 1.00 0.00 O ATOM 1330 CB CYS A 91 80.512 4.899 1.341 1.00 0.00 C ATOM 1331 SG CYS A 91 81.313 3.510 2.206 1.00 0.00 S ATOM 0 H CYS A 91 82.951 5.714 0.341 1.00 0.00 H new ATOM 0 HA CYS A 91 80.508 4.463 -0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 91 80.666 5.799 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 91 79.439 4.709 1.322 1.00 0.00 H new ATOM 1336 N GLN A 92 79.381 6.796 -1.119 1.00 0.00 N ATOM 1337 CA GLN A 92 78.843 8.127 -1.415 1.00 0.00 C ATOM 1338 C GLN A 92 77.499 8.305 -0.715 1.00 0.00 C ATOM 1339 O GLN A 92 76.590 7.497 -0.901 1.00 0.00 O ATOM 1340 CB GLN A 92 78.673 8.334 -2.926 1.00 0.00 C ATOM 1341 CG GLN A 92 77.931 9.645 -3.213 1.00 0.00 C ATOM 1342 CD GLN A 92 77.909 9.941 -4.710 1.00 0.00 C ATOM 1343 OE1 GLN A 92 78.302 9.100 -5.518 1.00 0.00 O ATOM 1344 NE2 GLN A 92 77.433 11.080 -5.136 1.00 0.00 N ATOM 0 H GLN A 92 78.805 6.026 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 92 79.550 8.871 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.650 8.350 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.121 7.497 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 92 76.910 9.580 -2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 92 78.415 10.465 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 92 77.107 11.778 -4.468 1.00 0.00 H new ATOM 0 HE22 GLN A 92 77.387 11.271 -6.137 1.00 0.00 H new ATOM 1353 N SER A 93 77.365 9.312 0.146 1.00 0.00 N ATOM 1354 CA SER A 93 76.110 9.514 0.862 1.00 0.00 C ATOM 1355 C SER A 93 75.720 10.986 0.843 1.00 0.00 C ATOM 1356 O SER A 93 76.469 11.819 0.335 1.00 0.00 O ATOM 1357 CB SER A 93 76.225 9.005 2.302 1.00 0.00 C ATOM 1358 OG SER A 93 74.964 8.505 2.721 1.00 0.00 O ATOM 0 H SER A 93 78.097 9.989 0.362 1.00 0.00 H new ATOM 0 HA SER A 93 75.329 8.944 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 93 76.980 8.221 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 93 76.548 9.811 2.961 1.00 0.00 H new ATOM 0 HG SER A 93 74.314 8.607 1.995 1.00 0.00 H new ATOM 1364 N TYR A 94 74.619 11.304 1.516 1.00 0.00 N ATOM 1365 CA TYR A 94 74.200 12.693 1.653 1.00 0.00 C ATOM 1366 C TYR A 94 73.498 12.913 2.988 1.00 0.00 C ATOM 1367 O TYR A 94 72.496 12.270 3.299 1.00 0.00 O ATOM 1368 CB TYR A 94 73.308 13.104 0.477 1.00 0.00 C ATOM 1369 CG TYR A 94 73.549 12.195 -0.707 1.00 0.00 C ATOM 1370 CD1 TYR A 94 74.689 12.355 -1.505 1.00 0.00 C ATOM 1371 CD2 TYR A 94 72.631 11.180 -1.005 1.00 0.00 C ATOM 1372 CE1 TYR A 94 74.921 11.497 -2.585 1.00 0.00 C ATOM 1373 CE2 TYR A 94 72.849 10.336 -2.101 1.00 0.00 C ATOM 1374 CZ TYR A 94 73.995 10.494 -2.890 1.00 0.00 C ATOM 1375 OH TYR A 94 74.189 9.698 -4.000 1.00 0.00 O ATOM 0 H TYR A 94 74.007 10.626 1.970 1.00 0.00 H new ATOM 0 HA TYR A 94 75.086 13.327 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.260 13.057 0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 94 73.515 14.137 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 94 75.392 13.145 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 94 71.754 11.048 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 94 75.814 11.609 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 94 72.133 9.563 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 94 73.321 9.458 -4.386 1.00 0.00 H new ATOM 1482 N PHE A 102 80.874 11.963 0.260 1.00 0.00 N ATOM 1483 CA PHE A 102 81.545 10.723 -0.105 1.00 0.00 C ATOM 1484 C PHE A 102 82.926 10.637 0.532 1.00 0.00 C ATOM 1485 O PHE A 102 83.524 11.659 0.869 1.00 0.00 O ATOM 1486 CB PHE A 102 81.660 10.637 -1.629 1.00 0.00 C ATOM 1487 CG PHE A 102 82.571 11.738 -2.116 1.00 0.00 C ATOM 1488 CD1 PHE A 102 82.142 13.070 -2.062 1.00 0.00 C ATOM 1489 CD2 PHE A 102 83.804 11.425 -2.701 1.00 0.00 C ATOM 1490 CE1 PHE A 102 82.981 14.096 -2.512 1.00 0.00 C ATOM 1491 CE2 PHE A 102 84.659 12.453 -3.115 1.00 0.00 C ATOM 1492 CZ PHE A 102 84.255 13.790 -3.007 1.00 0.00 C ATOM 0 HA PHE A 102 80.954 9.885 0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.055 9.664 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 102 80.675 10.733 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 102 81.163 13.306 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 102 84.095 10.393 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 102 82.646 15.122 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 102 85.632 12.215 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 102 84.925 14.583 -3.305 1.00 0.00 H new ATOM 1502 N GLY A 103 83.470 9.426 0.602 1.00 0.00 N ATOM 1503 CA GLY A 103 84.813 9.255 1.143 1.00 0.00 C ATOM 1504 C GLY A 103 85.032 7.832 1.641 1.00 0.00 C ATOM 1505 O GLY A 103 84.465 6.882 1.102 1.00 0.00 O ATOM 0 H GLY A 103 83.013 8.566 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.550 9.491 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.970 9.957 1.962 1.00 0.00 H new ATOM 1509 N GLY A 104 85.840 7.699 2.686 1.00 0.00 N ATOM 1510 CA GLY A 104 86.125 6.385 3.246 1.00 0.00 C ATOM 1511 C GLY A 104 86.822 5.500 2.219 1.00 0.00 C ATOM 1512 O GLY A 104 86.286 4.469 1.815 1.00 0.00 O ATOM 0 H GLY A 104 86.304 8.475 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 104 86.754 6.490 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 104 85.197 5.913 3.570 1.00 0.00 H new ATOM 1516 N GLY A 105 87.904 6.012 1.643 1.00 0.00 N ATOM 1517 CA GLY A 105 88.646 5.247 0.649 1.00 0.00 C ATOM 1518 C GLY A 105 89.469 4.161 1.330 1.00 0.00 C ATOM 1519 O GLY A 105 90.598 4.405 1.755 1.00 0.00 O ATOM 0 H GLY A 105 88.282 6.938 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 105 87.956 4.797 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.301 5.910 0.084 1.00 0.00 H new ATOM 1523 N THR A 106 88.984 2.925 1.255 1.00 0.00 N ATOM 1524 CA THR A 106 89.683 1.793 1.854 1.00 0.00 C ATOM 1525 C THR A 106 90.314 0.942 0.759 1.00 0.00 C ATOM 1526 O THR A 106 89.660 0.584 -0.220 1.00 0.00 O ATOM 1527 CB THR A 106 88.710 0.929 2.661 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.246 1.662 3.785 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.407 -0.345 3.152 1.00 0.00 C ATOM 0 H THR A 106 88.111 2.682 0.786 1.00 0.00 H new ATOM 0 HA THR A 106 90.457 2.176 2.519 1.00 0.00 H new ATOM 0 HB THR A 106 87.872 0.655 2.019 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.297 1.468 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.702 -0.948 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.763 -0.918 2.296 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.252 -0.076 3.786 1.00 0.00 H new ATOM 1537 N LYS A 107 91.614 0.705 0.893 1.00 0.00 N ATOM 1538 CA LYS A 107 92.361 -0.045 -0.110 1.00 0.00 C ATOM 1539 C LYS A 107 92.300 -1.537 0.196 1.00 0.00 C ATOM 1540 O LYS A 107 92.983 -2.024 1.097 1.00 0.00 O ATOM 1541 CB LYS A 107 93.822 0.411 -0.112 1.00 0.00 C ATOM 1542 CG LYS A 107 93.883 1.940 -0.119 1.00 0.00 C ATOM 1543 CD LYS A 107 95.344 2.390 -0.072 1.00 0.00 C ATOM 1544 CE LYS A 107 95.396 3.908 0.104 1.00 0.00 C ATOM 1545 NZ LYS A 107 94.669 4.284 1.350 1.00 0.00 N ATOM 0 H LYS A 107 92.172 1.021 1.686 1.00 0.00 H new ATOM 0 HA LYS A 107 91.917 0.139 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.336 0.021 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.337 0.013 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.399 2.330 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.340 2.341 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.862 1.898 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 107 95.856 2.100 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 107 96.431 4.244 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 107 94.945 4.401 -0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 95.069 5.164 1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 93.662 4.426 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 94.769 3.524 2.053 1.00 0.00 H new ATOM 1559 N LEU A 108 91.398 -2.238 -0.482 1.00 0.00 N ATOM 1560 CA LEU A 108 91.285 -3.681 -0.306 1.00 0.00 C ATOM 1561 C LEU A 108 92.327 -4.397 -1.157 1.00 0.00 C ATOM 1562 O LEU A 108 92.311 -4.294 -2.382 1.00 0.00 O ATOM 1563 CB LEU A 108 89.880 -4.141 -0.699 1.00 0.00 C ATOM 1564 CG LEU A 108 89.759 -5.666 -0.613 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.139 -6.164 0.784 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.313 -6.060 -0.922 1.00 0.00 C ATOM 0 H LEU A 108 90.741 -1.836 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 108 91.461 -3.926 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.144 -3.676 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.656 -3.811 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 108 90.439 -6.120 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 108 90.046 -7.249 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.168 -5.881 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.474 -5.717 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.211 -7.144 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.646 -5.594 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.051 -5.723 -1.925 1.00 0.00 H new ATOM 1578 N THR A 109 93.164 -5.202 -0.511 1.00 0.00 N ATOM 1579 CA THR A 109 94.185 -5.972 -1.214 1.00 0.00 C ATOM 1580 C THR A 109 93.981 -7.461 -0.961 1.00 0.00 C ATOM 1581 O THR A 109 94.113 -7.934 0.167 1.00 0.00 O ATOM 1582 CB THR A 109 95.573 -5.551 -0.725 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.628 -4.136 -0.621 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.635 -6.027 -1.718 1.00 0.00 C ATOM 0 H THR A 109 93.156 -5.339 0.500 1.00 0.00 H new ATOM 0 HA THR A 109 94.104 -5.779 -2.284 1.00 0.00 H new ATOM 0 HB THR A 109 95.763 -5.998 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.516 -3.865 -0.306 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.622 -5.726 -1.367 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.595 -7.113 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.446 -5.582 -2.695 1.00 0.00 H new ATOM 1592 N VAL A 110 93.708 -8.197 -2.033 1.00 0.00 N ATOM 1593 CA VAL A 110 93.495 -9.635 -1.931 1.00 0.00 C ATOM 1594 C VAL A 110 94.834 -10.363 -1.896 1.00 0.00 C ATOM 1595 O VAL A 110 95.411 -10.654 -2.944 1.00 0.00 O ATOM 1596 CB VAL A 110 92.679 -10.116 -3.134 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.488 -11.633 -3.059 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.314 -9.423 -3.149 1.00 0.00 C ATOM 0 H VAL A 110 93.629 -7.823 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 110 92.952 -9.851 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 110 93.216 -9.867 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.907 -11.969 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.462 -12.123 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.959 -11.888 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.739 -9.770 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.775 -9.660 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.454 -8.344 -3.218 1.00 0.00 H new ATOM 1608 N LEU A 111 95.331 -10.627 -0.690 1.00 0.00 N ATOM 1609 CA LEU A 111 96.615 -11.298 -0.502 1.00 0.00 C ATOM 1610 C LEU A 111 96.922 -12.268 -1.639 1.00 0.00 C ATOM 1611 O LEU A 111 97.780 -11.943 -2.443 1.00 0.00 O ATOM 1612 CB LEU A 111 96.607 -12.067 0.821 1.00 0.00 C ATOM 1613 CG LEU A 111 96.664 -11.102 2.012 1.00 0.00 C ATOM 1614 CD1 LEU A 111 95.971 -11.718 3.233 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.122 -10.788 2.360 1.00 0.00 C ATOM 1616 OXT LEU A 111 96.239 -13.273 -1.739 1.00 0.00 O ATOM 0 H LEU A 111 94.858 -10.383 0.180 1.00 0.00 H new ATOM 0 HA LEU A 111 97.388 -10.530 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.707 -12.679 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.458 -12.747 0.857 1.00 0.00 H new ATOM 0 HG LEU A 111 96.148 -10.182 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.020 -11.021 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 111 94.928 -11.925 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.472 -12.647 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.154 -10.102 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.641 -11.711 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.610 -10.327 1.501 1.00 0.00 H new