USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=35 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 162:sc= 0.787 USER MOD Set 1.2: A 77 THR OG1 : rot -11:sc= 1.17 USER MOD Set 2.1: A 35 GLN : amide:sc= -9.1! C(o=-7.7!,f=-10!) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0.0784 USER MOD Set 2.3: A 94 TYR OH : rot 64:sc= 1.32 USER MOD Set 3.1: A 37 TYR OH : rot 55:sc= 0.661 USER MOD Set 3.2: A 47 THR OG1 : rot -42:sc= 0.574! USER MOD Set 4.1: A 28 SER OG : rot -13:sc= 0.387! USER MOD Set 4.2: A 31 SER OG : rot -84:sc= 1.17 USER MOD Set 4.3: A 32 ASN : amide:sc= -1.69! C(o=-0.13!,f=-13!) USER MOD Set 5.1: A 8 HIS : no HD1:sc= -3.3! C(o=-2.6!,f=-4.3!) USER MOD Set 5.2: A 9 SER OG : rot -33:sc= 0.69 USER MOD Set 6.1: A 6 GLN : amide:sc= -7.21! C(o=-7!,f=-15!) USER MOD Set 6.2: A 106 THR OG1 : rot 87:sc= 0.228 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 11 SER OG : rot 3:sc= 0.93 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.19 (180deg=-0.966) 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= -1.74 USER MOD Single : A 25 SER OG : rot -169:sc= -0.572 USER MOD Single : A 26 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= -2.68! C(o=-2.7!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.962 K(o=-0.96,f=-0.44) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.8!) USER MOD Single : A 54 GLN : amide:sc= -30.8! C(o=-31!,f=-44!) 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 -30:sc= 0.359 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 -75:sc= 0.666 USER MOD Single : A 72 ASN : amide:sc= -0.0488 X(o=-0.049,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 18:sc= 0.258! USER MOD Single : A 89 TYR OH : rot -157:sc= 0.181! USER MOD Single : A 90 TYR OH : rot 115:sc= 0.434 USER MOD Single : A 92 GLN : amide:sc= -2.84 K(o=-2.8,f=-0.87) USER MOD Single : A 93 SER OG : rot -110:sc= -0.057 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 83.228 13.924 8.049 1.00 0.00 N ATOM 38 CA MET A 3 84.209 13.006 7.480 1.00 0.00 C ATOM 39 C MET A 3 83.657 11.584 7.500 1.00 0.00 C ATOM 40 O MET A 3 82.640 11.324 8.143 1.00 0.00 O ATOM 41 CB MET A 3 85.526 13.110 8.258 1.00 0.00 C ATOM 42 CG MET A 3 85.550 12.153 9.454 1.00 0.00 C ATOM 43 SD MET A 3 86.700 12.768 10.708 1.00 0.00 S ATOM 44 CE MET A 3 88.175 11.916 10.096 1.00 0.00 C ATOM 0 HA MET A 3 84.409 13.274 6.442 1.00 0.00 H new ATOM 0 HB2 MET A 3 86.361 12.885 7.594 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.664 14.133 8.607 1.00 0.00 H new ATOM 0 HG2 MET A 3 84.550 12.061 9.878 1.00 0.00 H new ATOM 0 HG3 MET A 3 85.851 11.157 9.129 1.00 0.00 H new ATOM 0 HE1 MET A 3 89.025 12.157 10.734 1.00 0.00 H new ATOM 0 HE2 MET A 3 88.005 10.839 10.109 1.00 0.00 H new ATOM 0 HE3 MET A 3 88.384 12.238 9.076 1.00 0.00 H new ATOM 54 N LEU A 4 84.348 10.665 6.830 1.00 0.00 N ATOM 55 CA LEU A 4 83.945 9.263 6.828 1.00 0.00 C ATOM 56 C LEU A 4 85.090 8.406 7.355 1.00 0.00 C ATOM 57 O LEU A 4 86.071 8.157 6.656 1.00 0.00 O ATOM 58 CB LEU A 4 83.562 8.820 5.411 1.00 0.00 C ATOM 59 CG LEU A 4 82.128 9.246 5.064 1.00 0.00 C ATOM 60 CD1 LEU A 4 82.098 10.677 4.520 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.531 8.312 4.009 1.00 0.00 C ATOM 0 H LEU A 4 85.186 10.866 6.284 1.00 0.00 H new ATOM 0 HA LEU A 4 83.075 9.140 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 4 84.257 9.253 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.652 7.737 5.329 1.00 0.00 H new ATOM 0 HG LEU A 4 81.541 9.194 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 4 81.071 10.954 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 4 82.493 11.360 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.708 10.736 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.515 8.629 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.139 8.348 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.513 7.292 4.394 1.00 0.00 H new ATOM 73 N THR A 5 84.952 7.949 8.596 1.00 0.00 N ATOM 74 CA THR A 5 86.004 7.152 9.214 1.00 0.00 C ATOM 75 C THR A 5 85.923 5.706 8.736 1.00 0.00 C ATOM 76 O THR A 5 84.856 5.092 8.758 1.00 0.00 O ATOM 77 CB THR A 5 85.874 7.199 10.738 1.00 0.00 C ATOM 78 OG1 THR A 5 84.515 7.014 11.110 1.00 0.00 O ATOM 79 CG2 THR A 5 86.363 8.556 11.247 1.00 0.00 C ATOM 0 H THR A 5 84.136 8.114 9.185 1.00 0.00 H new ATOM 0 HA THR A 5 86.969 7.568 8.924 1.00 0.00 H new ATOM 0 HB THR A 5 86.477 6.405 11.177 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.436 7.043 12.086 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.271 8.592 12.333 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.407 8.695 10.966 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.760 9.349 10.806 1.00 0.00 H new ATOM 87 N GLN A 6 87.057 5.173 8.286 1.00 0.00 N ATOM 88 CA GLN A 6 87.116 3.804 7.784 1.00 0.00 C ATOM 89 C GLN A 6 88.465 3.183 8.142 1.00 0.00 C ATOM 90 O GLN A 6 89.391 3.905 8.512 1.00 0.00 O ATOM 91 CB GLN A 6 86.895 3.819 6.264 1.00 0.00 C ATOM 92 CG GLN A 6 85.521 3.242 5.911 1.00 0.00 C ATOM 93 CD GLN A 6 85.355 3.110 4.402 1.00 0.00 C ATOM 94 OE1 GLN A 6 86.307 3.326 3.653 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.225 2.668 3.920 1.00 0.00 N ATOM 0 H GLN A 6 87.948 5.670 8.259 1.00 0.00 H new ATOM 0 HA GLN A 6 86.335 3.199 8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 6 86.973 4.840 5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 6 87.676 3.239 5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 6 85.401 2.266 6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.738 3.886 6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.439 2.490 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.129 2.500 2.919 1.00 0.00 H new ATOM 104 N PRO A 7 88.618 1.890 8.017 1.00 0.00 N ATOM 105 CA PRO A 7 89.929 1.233 8.279 1.00 0.00 C ATOM 106 C PRO A 7 90.992 1.702 7.290 1.00 0.00 C ATOM 107 O PRO A 7 90.804 1.594 6.078 1.00 0.00 O ATOM 108 CB PRO A 7 89.654 -0.273 8.154 1.00 0.00 C ATOM 109 CG PRO A 7 88.195 -0.436 7.865 1.00 0.00 C ATOM 110 CD PRO A 7 87.639 0.934 7.470 1.00 0.00 C ATOM 0 HA PRO A 7 90.323 1.485 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.255 -0.708 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.924 -0.791 9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 7 88.043 -1.156 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.673 -0.822 8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 7 87.549 1.031 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.646 1.097 7.888 1.00 0.00 H new ATOM 118 N HIS A 8 92.169 2.043 7.809 1.00 0.00 N ATOM 119 CA HIS A 8 93.269 2.485 6.960 1.00 0.00 C ATOM 120 C HIS A 8 93.400 1.592 5.731 1.00 0.00 C ATOM 121 O HIS A 8 93.284 2.056 4.597 1.00 0.00 O ATOM 122 CB HIS A 8 94.582 2.446 7.745 1.00 0.00 C ATOM 123 CG HIS A 8 94.811 1.057 8.273 1.00 0.00 C ATOM 124 ND1 HIS A 8 95.889 0.281 7.878 1.00 0.00 N ATOM 125 CD2 HIS A 8 94.100 0.286 9.163 1.00 0.00 C ATOM 126 CE1 HIS A 8 95.802 -0.895 8.522 1.00 0.00 C ATOM 127 NE2 HIS A 8 94.755 -0.930 9.349 1.00 0.00 N ATOM 0 H HIS A 8 92.384 2.022 8.806 1.00 0.00 H new ATOM 0 HA HIS A 8 93.058 3.505 6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 8 95.411 2.743 7.103 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.546 3.158 8.569 1.00 0.00 H new ATOM 0 HD2 HIS A 8 93.178 0.578 9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 8 96.495 -1.712 8.387 1.00 0.00 H new ATOM 0 HE2 HIS A 8 94.491 -1.685 9.982 1.00 0.00 H new ATOM 135 N SER A 9 93.641 0.307 5.967 1.00 0.00 N ATOM 136 CA SER A 9 93.742 -0.652 4.874 1.00 0.00 C ATOM 137 C SER A 9 93.627 -2.076 5.407 1.00 0.00 C ATOM 138 O SER A 9 93.819 -2.321 6.598 1.00 0.00 O ATOM 139 CB SER A 9 95.080 -0.477 4.155 1.00 0.00 C ATOM 140 OG SER A 9 96.136 -0.536 5.103 1.00 0.00 O ATOM 0 H SER A 9 93.769 -0.092 6.897 1.00 0.00 H new ATOM 0 HA SER A 9 92.928 -0.472 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.207 -1.257 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.101 0.478 3.630 1.00 0.00 H new ATOM 0 HG SER A 9 95.836 -0.149 5.952 1.00 0.00 H new ATOM 146 N VAL A 10 93.310 -3.010 4.518 1.00 0.00 N ATOM 147 CA VAL A 10 93.147 -4.402 4.920 1.00 0.00 C ATOM 148 C VAL A 10 93.206 -5.316 3.701 1.00 0.00 C ATOM 149 O VAL A 10 92.800 -4.935 2.604 1.00 0.00 O ATOM 150 CB VAL A 10 91.813 -4.571 5.650 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.687 -3.993 4.791 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.542 -6.053 5.919 1.00 0.00 C ATOM 0 H VAL A 10 93.162 -2.832 3.525 1.00 0.00 H new ATOM 0 HA VAL A 10 93.959 -4.678 5.593 1.00 0.00 H new ATOM 0 HB VAL A 10 91.859 -4.042 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.736 -4.113 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.872 -2.934 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.649 -4.520 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 10 90.590 -6.160 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.502 -6.593 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.341 -6.463 6.537 1.00 0.00 H new ATOM 162 N SER A 11 93.727 -6.523 3.901 1.00 0.00 N ATOM 163 CA SER A 11 93.842 -7.500 2.823 1.00 0.00 C ATOM 164 C SER A 11 93.282 -8.842 3.279 1.00 0.00 C ATOM 165 O SER A 11 93.699 -9.372 4.310 1.00 0.00 O ATOM 166 CB SER A 11 95.310 -7.665 2.421 1.00 0.00 C ATOM 167 OG SER A 11 95.984 -8.442 3.400 1.00 0.00 O ATOM 0 H SER A 11 94.077 -6.849 4.802 1.00 0.00 H new ATOM 0 HA SER A 11 93.273 -7.146 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.379 -8.149 1.447 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.784 -6.688 2.327 1.00 0.00 H new ATOM 0 HG SER A 11 95.346 -8.730 4.086 1.00 0.00 H new ATOM 173 N GLU A 12 92.439 -9.449 2.448 1.00 0.00 N ATOM 174 CA GLU A 12 91.843 -10.742 2.774 1.00 0.00 C ATOM 175 C GLU A 12 92.297 -11.786 1.760 1.00 0.00 C ATOM 176 O GLU A 12 92.804 -11.449 0.690 1.00 0.00 O ATOM 177 CB GLU A 12 90.312 -10.627 2.765 1.00 0.00 C ATOM 178 CG GLU A 12 89.706 -11.232 4.034 1.00 0.00 C ATOM 179 CD GLU A 12 89.956 -10.301 5.215 1.00 0.00 C ATOM 180 OE1 GLU A 12 89.239 -9.320 5.330 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.937 -10.512 5.908 1.00 0.00 O ATOM 0 H GLU A 12 92.154 -9.068 1.546 1.00 0.00 H new ATOM 0 HA GLU A 12 92.167 -11.048 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.023 -9.579 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 12 89.911 -11.136 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.635 -11.386 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.147 -12.210 4.229 1.00 0.00 H new ATOM 188 N SER A 13 92.219 -13.052 2.159 1.00 0.00 N ATOM 189 CA SER A 13 92.682 -14.136 1.303 1.00 0.00 C ATOM 190 C SER A 13 91.622 -14.486 0.259 1.00 0.00 C ATOM 191 O SER A 13 90.446 -14.611 0.602 1.00 0.00 O ATOM 192 CB SER A 13 92.990 -15.370 2.151 1.00 0.00 C ATOM 193 OG SER A 13 93.814 -15.001 3.247 1.00 0.00 O ATOM 0 H SER A 13 91.844 -13.349 3.060 1.00 0.00 H new ATOM 0 HA SER A 13 93.587 -13.810 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.063 -15.815 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.491 -16.125 1.545 1.00 0.00 H new ATOM 0 HG SER A 13 94.009 -15.793 3.791 1.00 0.00 H new ATOM 199 N PRO A 14 91.997 -14.763 -0.963 1.00 0.00 N ATOM 200 CA PRO A 14 91.015 -15.147 -2.017 1.00 0.00 C ATOM 201 C PRO A 14 90.227 -16.389 -1.606 1.00 0.00 C ATOM 202 O PRO A 14 90.777 -17.490 -1.573 1.00 0.00 O ATOM 203 CB PRO A 14 91.853 -15.399 -3.280 1.00 0.00 C ATOM 204 CG PRO A 14 93.296 -15.260 -2.905 1.00 0.00 C ATOM 205 CD PRO A 14 93.371 -14.684 -1.488 1.00 0.00 C ATOM 0 HA PRO A 14 90.271 -14.368 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.655 -16.395 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.591 -14.686 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.795 -16.228 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.810 -14.605 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.062 -15.254 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.729 -13.654 -1.500 1.00 0.00 H new ATOM 213 N GLY A 15 88.916 -16.233 -1.436 1.00 0.00 N ATOM 214 CA GLY A 15 88.051 -17.358 -1.088 1.00 0.00 C ATOM 215 C GLY A 15 87.402 -17.136 0.273 1.00 0.00 C ATOM 216 O GLY A 15 86.671 -17.993 0.766 1.00 0.00 O ATOM 0 H GLY A 15 88.430 -15.341 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.280 -17.480 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.633 -18.280 -1.073 1.00 0.00 H new ATOM 220 N LYS A 16 87.727 -16.008 0.898 1.00 0.00 N ATOM 221 CA LYS A 16 87.183 -15.664 2.208 1.00 0.00 C ATOM 222 C LYS A 16 86.165 -14.537 2.078 1.00 0.00 C ATOM 223 O LYS A 16 85.510 -14.409 1.044 1.00 0.00 O ATOM 224 CB LYS A 16 88.318 -15.224 3.136 1.00 0.00 C ATOM 225 CG LYS A 16 89.216 -16.419 3.465 1.00 0.00 C ATOM 226 CD LYS A 16 90.124 -16.066 4.645 1.00 0.00 C ATOM 227 CE LYS A 16 91.040 -17.252 4.957 1.00 0.00 C ATOM 228 NZ LYS A 16 90.240 -18.507 4.981 1.00 0.00 N ATOM 0 H LYS A 16 88.368 -15.313 0.516 1.00 0.00 H new ATOM 0 HA LYS A 16 86.688 -16.541 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 16 88.904 -14.438 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 16 87.907 -14.804 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.606 -17.289 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.818 -16.685 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 16 90.720 -15.185 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.522 -15.818 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 16 91.827 -17.324 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.530 -17.103 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 90.717 -19.212 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 89.295 -18.309 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 90.148 -18.879 4.014 1.00 0.00 H new ATOM 242 N THR A 17 85.858 -13.897 3.203 1.00 0.00 N ATOM 243 CA THR A 17 84.898 -12.799 3.229 1.00 0.00 C ATOM 244 C THR A 17 85.413 -11.655 4.096 1.00 0.00 C ATOM 245 O THR A 17 86.199 -11.870 5.018 1.00 0.00 O ATOM 246 CB THR A 17 83.564 -13.305 3.780 1.00 0.00 C ATOM 247 OG1 THR A 17 83.745 -13.758 5.113 1.00 0.00 O ATOM 248 CG2 THR A 17 83.069 -14.459 2.905 1.00 0.00 C ATOM 0 H THR A 17 86.263 -14.122 4.112 1.00 0.00 H new ATOM 0 HA THR A 17 84.760 -12.427 2.214 1.00 0.00 H new ATOM 0 HB THR A 17 82.830 -12.499 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 17 82.890 -14.081 5.468 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.118 -14.826 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.934 -14.108 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.802 -15.266 2.918 1.00 0.00 H new ATOM 256 N VAL A 18 84.965 -10.440 3.792 1.00 0.00 N ATOM 257 CA VAL A 18 85.408 -9.261 4.530 1.00 0.00 C ATOM 258 C VAL A 18 84.253 -8.278 4.687 1.00 0.00 C ATOM 259 O VAL A 18 83.412 -8.150 3.799 1.00 0.00 O ATOM 260 CB VAL A 18 86.589 -8.592 3.820 1.00 0.00 C ATOM 261 CG1 VAL A 18 86.200 -8.151 2.407 1.00 0.00 C ATOM 262 CG2 VAL A 18 87.046 -7.367 4.615 1.00 0.00 C ATOM 0 H VAL A 18 84.299 -10.246 3.044 1.00 0.00 H new ATOM 0 HA VAL A 18 85.739 -9.574 5.520 1.00 0.00 H new ATOM 0 HB VAL A 18 87.399 -9.319 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 18 87.056 -7.679 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.890 -9.020 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.376 -7.439 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.886 -6.895 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.223 -6.656 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.355 -7.676 5.614 1.00 0.00 H new ATOM 272 N THR A 19 84.240 -7.558 5.804 1.00 0.00 N ATOM 273 CA THR A 19 83.205 -6.563 6.075 1.00 0.00 C ATOM 274 C THR A 19 83.868 -5.208 6.298 1.00 0.00 C ATOM 275 O THR A 19 84.773 -5.072 7.122 1.00 0.00 O ATOM 276 CB THR A 19 82.402 -6.999 7.308 1.00 0.00 C ATOM 277 OG1 THR A 19 81.326 -7.830 6.896 1.00 0.00 O ATOM 278 CG2 THR A 19 81.836 -5.807 8.086 1.00 0.00 C ATOM 0 H THR A 19 84.939 -7.645 6.542 1.00 0.00 H new ATOM 0 HA THR A 19 82.520 -6.478 5.231 1.00 0.00 H new ATOM 0 HB THR A 19 83.082 -7.537 7.968 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.991 -8.337 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.276 -6.168 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.654 -5.172 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.174 -5.232 7.439 1.00 0.00 H new ATOM 286 N ILE A 20 83.341 -4.190 5.624 1.00 0.00 N ATOM 287 CA ILE A 20 83.837 -2.826 5.772 1.00 0.00 C ATOM 288 C ILE A 20 82.834 -1.980 6.548 1.00 0.00 C ATOM 289 O ILE A 20 81.635 -1.999 6.265 1.00 0.00 O ATOM 290 CB ILE A 20 84.070 -2.209 4.391 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.030 -3.081 3.576 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.648 -0.801 4.549 1.00 0.00 C ATOM 293 CD1 ILE A 20 86.344 -3.314 4.328 1.00 0.00 C ATOM 0 H ILE A 20 82.567 -4.285 4.967 1.00 0.00 H new ATOM 0 HA ILE A 20 84.778 -2.852 6.322 1.00 0.00 H new ATOM 0 HB ILE A 20 83.119 -2.151 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 20 84.558 -4.039 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 20 85.236 -2.602 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.813 -0.363 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.948 -0.181 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.595 -0.855 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 20 87.004 -3.936 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.826 -2.356 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 20 86.138 -3.816 5.274 1.00 0.00 H new ATOM 305 N SER A 21 83.345 -1.217 7.510 1.00 0.00 N ATOM 306 CA SER A 21 82.513 -0.344 8.331 1.00 0.00 C ATOM 307 C SER A 21 82.697 1.108 7.896 1.00 0.00 C ATOM 308 O SER A 21 83.811 1.629 7.935 1.00 0.00 O ATOM 309 CB SER A 21 82.926 -0.497 9.798 1.00 0.00 C ATOM 310 OG SER A 21 83.015 -1.876 10.129 1.00 0.00 O ATOM 0 H SER A 21 84.338 -1.186 7.741 1.00 0.00 H new ATOM 0 HA SER A 21 81.465 -0.620 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.886 -0.010 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.199 -0.004 10.444 1.00 0.00 H new ATOM 0 HG SER A 21 83.281 -1.971 11.067 1.00 0.00 H new ATOM 316 N CYS A 22 81.598 1.773 7.538 1.00 0.00 N ATOM 317 CA CYS A 22 81.638 3.152 7.053 1.00 0.00 C ATOM 318 C CYS A 22 80.820 4.023 8.007 1.00 0.00 C ATOM 319 O CYS A 22 79.668 3.704 8.301 1.00 0.00 O ATOM 320 CB CYS A 22 81.114 3.219 5.606 1.00 0.00 C ATOM 321 SG CYS A 22 82.103 4.340 4.569 1.00 0.00 S ATOM 0 H CYS A 22 80.660 1.373 7.576 1.00 0.00 H new ATOM 0 HA CYS A 22 82.662 3.526 7.035 1.00 0.00 H new ATOM 0 HB2 CYS A 22 81.125 2.220 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.076 3.553 5.612 1.00 0.00 H new ATOM 326 N THR A 23 81.506 4.904 8.733 1.00 0.00 N ATOM 327 CA THR A 23 80.847 5.807 9.672 1.00 0.00 C ATOM 328 C THR A 23 81.072 7.234 9.195 1.00 0.00 C ATOM 329 O THR A 23 82.216 7.639 8.997 1.00 0.00 O ATOM 330 CB THR A 23 81.422 5.666 11.084 1.00 0.00 C ATOM 331 OG1 THR A 23 81.196 4.344 11.550 1.00 0.00 O ATOM 332 CG2 THR A 23 80.749 6.665 12.033 1.00 0.00 C ATOM 0 H THR A 23 82.519 5.011 8.688 1.00 0.00 H new ATOM 0 HA THR A 23 79.786 5.560 9.710 1.00 0.00 H new ATOM 0 HB THR A 23 82.492 5.872 11.057 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.564 4.248 12.453 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.167 6.554 13.034 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.924 7.680 11.677 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.677 6.472 12.064 1.00 0.00 H new ATOM 340 N ARG A 24 80.044 8.059 9.351 1.00 0.00 N ATOM 341 CA ARG A 24 80.204 9.488 9.125 1.00 0.00 C ATOM 342 C ARG A 24 80.380 10.212 10.456 1.00 0.00 C ATOM 343 O ARG A 24 79.645 9.956 11.410 1.00 0.00 O ATOM 344 CB ARG A 24 78.987 10.018 8.363 1.00 0.00 C ATOM 345 CG ARG A 24 78.606 9.031 7.251 1.00 0.00 C ATOM 346 CD ARG A 24 77.970 9.777 6.077 1.00 0.00 C ATOM 347 NE ARG A 24 76.907 10.652 6.560 1.00 0.00 N ATOM 348 CZ ARG A 24 76.839 11.933 6.209 1.00 0.00 C ATOM 349 NH1 ARG A 24 77.559 12.819 6.843 1.00 0.00 N ATOM 350 NH2 ARG A 24 76.062 12.304 5.228 1.00 0.00 N ATOM 0 H ARG A 24 79.106 7.769 9.628 1.00 0.00 H new ATOM 0 HA ARG A 24 81.096 9.670 8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 24 78.148 10.153 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 24 79.211 10.995 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.492 8.494 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 24 77.910 8.287 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.726 10.363 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.567 9.064 5.358 1.00 0.00 H new ATOM 0 HE ARG A 24 76.196 10.271 7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 24 78.171 12.528 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 77.509 13.802 6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.505 11.611 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.012 13.287 4.961 1.00 0.00 H new ATOM 364 N SER A 25 81.225 11.237 10.460 1.00 0.00 N ATOM 365 CA SER A 25 81.433 12.054 11.653 1.00 0.00 C ATOM 366 C SER A 25 80.114 12.670 12.112 1.00 0.00 C ATOM 367 O SER A 25 80.111 13.636 12.876 1.00 0.00 O ATOM 368 CB SER A 25 82.502 13.127 11.427 1.00 0.00 C ATOM 369 OG SER A 25 83.739 12.673 11.957 1.00 0.00 O ATOM 0 H SER A 25 81.777 11.523 9.652 1.00 0.00 H new ATOM 0 HA SER A 25 81.802 11.403 12.446 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.604 13.337 10.362 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.206 14.059 11.909 1.00 0.00 H new ATOM 0 HG SER A 25 84.380 13.414 11.973 1.00 0.00 H new ATOM 375 N SER A 26 79.052 12.332 11.387 1.00 0.00 N ATOM 376 CA SER A 26 77.736 12.915 11.615 1.00 0.00 C ATOM 377 C SER A 26 76.866 11.936 12.398 1.00 0.00 C ATOM 378 O SER A 26 75.799 12.296 12.895 1.00 0.00 O ATOM 379 CB SER A 26 77.116 13.257 10.256 1.00 0.00 C ATOM 380 OG SER A 26 76.668 14.604 10.276 1.00 0.00 O ATOM 0 H SER A 26 79.080 11.650 10.629 1.00 0.00 H new ATOM 0 HA SER A 26 77.816 13.827 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.849 13.116 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.283 12.587 10.043 1.00 0.00 H new ATOM 0 HG SER A 26 76.272 14.830 9.409 1.00 0.00 H new ATOM 386 N GLY A 27 77.316 10.687 12.468 1.00 0.00 N ATOM 387 CA GLY A 27 76.559 9.645 13.150 1.00 0.00 C ATOM 388 C GLY A 27 75.220 9.400 12.463 1.00 0.00 C ATOM 389 O GLY A 27 74.263 8.953 13.094 1.00 0.00 O ATOM 0 H GLY A 27 78.198 10.373 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.138 8.721 13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.391 9.933 14.188 1.00 0.00 H new ATOM 393 N SER A 28 75.163 9.676 11.163 1.00 0.00 N ATOM 394 CA SER A 28 73.940 9.500 10.386 1.00 0.00 C ATOM 395 C SER A 28 74.192 8.589 9.189 1.00 0.00 C ATOM 396 O SER A 28 74.931 8.946 8.272 1.00 0.00 O ATOM 397 CB SER A 28 73.443 10.853 9.873 1.00 0.00 C ATOM 398 OG SER A 28 74.210 11.230 8.739 1.00 0.00 O ATOM 0 H SER A 28 75.955 10.025 10.623 1.00 0.00 H new ATOM 0 HA SER A 28 73.190 9.049 11.036 1.00 0.00 H new ATOM 0 HB2 SER A 28 72.387 10.790 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 28 73.532 11.607 10.655 1.00 0.00 H new ATOM 0 HG SER A 28 75.001 10.655 8.673 1.00 0.00 H new ATOM 404 N ILE A 29 73.639 7.381 9.244 1.00 0.00 N ATOM 405 CA ILE A 29 73.819 6.394 8.184 1.00 0.00 C ATOM 406 C ILE A 29 72.496 5.723 7.832 1.00 0.00 C ATOM 407 O ILE A 29 71.941 5.950 6.759 1.00 0.00 O ATOM 408 CB ILE A 29 74.781 5.300 8.655 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.450 4.867 10.098 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.234 5.784 8.556 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.824 3.471 10.193 1.00 0.00 C ATOM 0 H ILE A 29 73.058 7.060 10.018 1.00 0.00 H new ATOM 0 HA ILE A 29 74.213 6.914 7.311 1.00 0.00 H new ATOM 0 HB ILE A 29 74.661 4.434 8.004 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.363 4.887 10.693 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.766 5.593 10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.904 4.994 8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.464 6.036 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.367 6.666 9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.619 3.235 11.237 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.893 3.450 9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.515 2.734 9.783 1.00 0.00 H new ATOM 423 N ALA A 30 71.938 4.994 8.793 1.00 0.00 N ATOM 424 CA ALA A 30 70.654 4.346 8.563 1.00 0.00 C ATOM 425 C ALA A 30 69.619 5.450 8.415 1.00 0.00 C ATOM 426 O ALA A 30 68.495 5.232 7.965 1.00 0.00 O ATOM 427 CB ALA A 30 70.264 3.472 9.758 1.00 0.00 C ATOM 0 H ALA A 30 72.343 4.840 9.716 1.00 0.00 H new ATOM 0 HA ALA A 30 70.711 3.714 7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.302 2.998 9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.022 2.704 9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.190 4.091 10.652 1.00 0.00 H new ATOM 433 N SER A 31 70.138 6.661 8.582 1.00 0.00 N ATOM 434 CA SER A 31 69.321 7.869 8.464 1.00 0.00 C ATOM 435 C SER A 31 69.518 8.542 7.110 1.00 0.00 C ATOM 436 O SER A 31 68.551 9.001 6.501 1.00 0.00 O ATOM 437 CB SER A 31 69.665 8.874 9.565 1.00 0.00 C ATOM 438 OG SER A 31 69.182 10.155 9.186 1.00 0.00 O ATOM 0 H SER A 31 71.119 6.835 8.799 1.00 0.00 H new ATOM 0 HA SER A 31 68.281 7.558 8.564 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.217 8.566 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.743 8.909 9.720 1.00 0.00 H new ATOM 0 HG SER A 31 69.834 10.589 8.597 1.00 0.00 H new ATOM 444 N ASN A 32 70.705 8.376 6.535 1.00 0.00 N ATOM 445 CA ASN A 32 71.018 8.991 5.249 1.00 0.00 C ATOM 446 C ASN A 32 71.383 7.901 4.250 1.00 0.00 C ATOM 447 O ASN A 32 71.943 6.868 4.617 1.00 0.00 O ATOM 448 CB ASN A 32 72.206 9.946 5.400 1.00 0.00 C ATOM 449 CG ASN A 32 71.956 10.933 6.536 1.00 0.00 C ATOM 450 OD1 ASN A 32 71.130 10.674 7.411 1.00 0.00 O ATOM 451 ND2 ASN A 32 72.653 12.035 6.599 1.00 0.00 N ATOM 0 H ASN A 32 71.463 7.824 6.936 1.00 0.00 H new ATOM 0 HA ASN A 32 70.149 9.548 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 32 73.115 9.377 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.366 10.488 4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 32 72.514 12.683 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 32 73.337 12.248 5.873 1.00 0.00 H new ATOM 458 N TYR A 33 71.075 8.134 2.978 1.00 0.00 N ATOM 459 CA TYR A 33 71.291 7.103 1.971 1.00 0.00 C ATOM 460 C TYR A 33 72.778 7.019 1.644 1.00 0.00 C ATOM 461 O TYR A 33 73.365 7.968 1.124 1.00 0.00 O ATOM 462 CB TYR A 33 70.499 7.427 0.702 1.00 0.00 C ATOM 463 CG TYR A 33 69.139 7.966 1.083 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.263 7.177 1.839 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.763 9.260 0.703 1.00 0.00 C ATOM 466 CE1 TYR A 33 66.993 7.664 2.171 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.489 9.742 1.028 1.00 0.00 C ATOM 468 CZ TYR A 33 66.622 8.960 1.799 1.00 0.00 C ATOM 469 OH TYR A 33 65.360 9.428 2.102 1.00 0.00 O ATOM 0 H TYR A 33 70.684 9.008 2.626 1.00 0.00 H new ATOM 0 HA TYR A 33 70.948 6.145 2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 33 71.038 8.160 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.389 6.532 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.567 6.193 2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.455 9.886 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.300 7.039 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 33 67.176 10.717 0.684 1.00 0.00 H new ATOM 0 HH TYR A 33 65.264 10.347 1.775 1.00 0.00 H new ATOM 479 N VAL A 34 73.392 5.899 2.010 1.00 0.00 N ATOM 480 CA VAL A 34 74.818 5.692 1.782 1.00 0.00 C ATOM 481 C VAL A 34 75.033 4.779 0.579 1.00 0.00 C ATOM 482 O VAL A 34 74.174 3.962 0.244 1.00 0.00 O ATOM 483 CB VAL A 34 75.459 5.072 3.027 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.979 5.032 2.854 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.100 5.897 4.264 1.00 0.00 C ATOM 0 H VAL A 34 72.922 5.118 2.468 1.00 0.00 H new ATOM 0 HA VAL A 34 75.286 6.656 1.580 1.00 0.00 H new ATOM 0 HB VAL A 34 75.083 4.057 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.435 4.591 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.230 4.431 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.357 6.045 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.559 5.450 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.467 6.916 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.017 5.914 4.388 1.00 0.00 H new ATOM 495 N GLN A 35 76.114 5.033 -0.153 1.00 0.00 N ATOM 496 CA GLN A 35 76.413 4.313 -1.388 1.00 0.00 C ATOM 497 C GLN A 35 77.837 3.773 -1.317 1.00 0.00 C ATOM 498 O GLN A 35 78.615 4.190 -0.461 1.00 0.00 O ATOM 499 CB GLN A 35 76.253 5.271 -2.573 1.00 0.00 C ATOM 500 CG GLN A 35 77.011 4.797 -3.817 1.00 0.00 C ATOM 501 CD GLN A 35 76.686 5.709 -4.995 1.00 0.00 C ATOM 502 OE1 GLN A 35 76.270 5.237 -6.052 1.00 0.00 O ATOM 503 NE2 GLN A 35 76.944 6.984 -4.912 1.00 0.00 N ATOM 0 H GLN A 35 76.806 5.741 0.092 1.00 0.00 H new ATOM 0 HA GLN A 35 75.728 3.475 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 35 75.195 5.373 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 35 76.612 6.260 -2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 35 78.084 4.803 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 35 76.735 3.769 -4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 35 77.289 7.379 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 35 76.801 7.587 -5.722 1.00 0.00 H new ATOM 512 N TRP A 36 78.167 2.844 -2.211 1.00 0.00 N ATOM 513 CA TRP A 36 79.522 2.307 -2.280 1.00 0.00 C ATOM 514 C TRP A 36 80.050 2.344 -3.710 1.00 0.00 C ATOM 515 O TRP A 36 79.459 1.760 -4.618 1.00 0.00 O ATOM 516 CB TRP A 36 79.530 0.867 -1.764 1.00 0.00 C ATOM 517 CG TRP A 36 78.988 0.835 -0.370 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.710 1.113 -0.024 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.703 0.586 0.877 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.574 0.975 1.344 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.778 0.672 1.948 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.034 0.252 1.174 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.181 0.490 3.275 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.441 0.068 2.502 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.518 0.177 3.550 1.00 0.00 C ATOM 0 H TRP A 36 77.519 2.450 -2.893 1.00 0.00 H new ATOM 0 HA TRP A 36 80.171 2.924 -1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.928 0.233 -2.415 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.545 0.469 -1.781 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.923 1.397 -0.707 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.693 1.084 1.846 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.749 0.136 0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.468 0.590 4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.474 -0.160 2.719 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.837 0.020 4.570 1.00 0.00 H new ATOM 536 N TYR A 37 81.230 2.935 -3.872 1.00 0.00 N ATOM 537 CA TYR A 37 81.909 2.993 -5.163 1.00 0.00 C ATOM 538 C TYR A 37 83.274 2.324 -5.047 1.00 0.00 C ATOM 539 O TYR A 37 83.988 2.534 -4.067 1.00 0.00 O ATOM 540 CB TYR A 37 82.056 4.458 -5.600 1.00 0.00 C ATOM 541 CG TYR A 37 80.990 4.829 -6.606 1.00 0.00 C ATOM 542 CD1 TYR A 37 81.042 4.283 -7.894 1.00 0.00 C ATOM 543 CD2 TYR A 37 79.941 5.687 -6.252 1.00 0.00 C ATOM 544 CE1 TYR A 37 80.068 4.620 -8.841 1.00 0.00 C ATOM 545 CE2 TYR A 37 78.984 6.048 -7.209 1.00 0.00 C ATOM 546 CZ TYR A 37 79.032 5.495 -8.494 1.00 0.00 C ATOM 547 OH TYR A 37 78.063 5.817 -9.422 1.00 0.00 O ATOM 0 H TYR A 37 81.742 3.386 -3.114 1.00 0.00 H new ATOM 0 HA TYR A 37 81.324 2.464 -5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 37 81.984 5.111 -4.730 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.043 4.615 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 37 81.836 3.600 -8.158 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.870 6.069 -5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 37 80.116 4.206 -9.837 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.208 6.754 -6.955 1.00 0.00 H new ATOM 0 HH TYR A 37 77.653 4.996 -9.766 1.00 0.00 H new ATOM 557 N GLN A 38 83.723 1.731 -6.149 1.00 0.00 N ATOM 558 CA GLN A 38 85.019 1.061 -6.184 1.00 0.00 C ATOM 559 C GLN A 38 85.816 1.626 -7.355 1.00 0.00 C ATOM 560 O GLN A 38 85.317 1.688 -8.479 1.00 0.00 O ATOM 561 CB GLN A 38 84.864 -0.458 -6.361 1.00 0.00 C ATOM 562 CG GLN A 38 83.476 -0.944 -5.936 1.00 0.00 C ATOM 563 CD GLN A 38 83.365 -0.974 -4.416 1.00 0.00 C ATOM 564 OE1 GLN A 38 83.100 0.048 -3.784 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.479 -2.114 -3.793 1.00 0.00 N ATOM 0 H GLN A 38 83.209 1.701 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 38 85.532 1.236 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.037 -0.721 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.624 -0.971 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.711 -0.287 -6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.293 -1.940 -6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.699 -2.961 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.348 -2.158 -2.782 1.00 0.00 H new ATOM 574 N GLN A 39 87.087 1.932 -7.109 1.00 0.00 N ATOM 575 CA GLN A 39 87.962 2.446 -8.155 1.00 0.00 C ATOM 576 C GLN A 39 89.040 1.420 -8.479 1.00 0.00 C ATOM 577 O GLN A 39 89.879 1.098 -7.638 1.00 0.00 O ATOM 578 CB GLN A 39 88.613 3.744 -7.671 1.00 0.00 C ATOM 579 CG GLN A 39 89.492 4.359 -8.770 1.00 0.00 C ATOM 580 CD GLN A 39 88.920 5.688 -9.257 1.00 0.00 C ATOM 581 OE1 GLN A 39 88.630 6.574 -8.453 1.00 0.00 O ATOM 582 NE2 GLN A 39 88.666 5.842 -10.527 1.00 0.00 N ATOM 0 H GLN A 39 87.532 1.833 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 39 87.378 2.641 -9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.841 4.455 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.217 3.545 -6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 39 90.501 4.513 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.570 3.665 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.908 5.105 -11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 39 88.225 6.700 -10.859 1.00 0.00 H new ATOM 591 N ARG A 40 89.032 0.942 -9.721 1.00 0.00 N ATOM 592 CA ARG A 40 90.001 -0.053 -10.166 1.00 0.00 C ATOM 593 C ARG A 40 90.914 0.557 -11.230 1.00 0.00 C ATOM 594 O ARG A 40 90.416 1.020 -12.256 1.00 0.00 O ATOM 595 CB ARG A 40 89.259 -1.264 -10.739 1.00 0.00 C ATOM 596 CG ARG A 40 90.243 -2.197 -11.451 1.00 0.00 C ATOM 597 CD ARG A 40 89.606 -3.576 -11.630 1.00 0.00 C ATOM 598 NE ARG A 40 88.278 -3.447 -12.220 1.00 0.00 N ATOM 599 CZ ARG A 40 88.115 -3.352 -13.535 1.00 0.00 C ATOM 600 NH1 ARG A 40 89.159 -3.302 -14.317 1.00 0.00 N ATOM 601 NH2 ARG A 40 86.915 -3.299 -14.045 1.00 0.00 N ATOM 0 H ARG A 40 88.364 1.229 -10.437 1.00 0.00 H new ATOM 0 HA ARG A 40 90.610 -0.374 -9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 40 88.751 -1.801 -9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 40 88.491 -0.932 -11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 40 90.515 -1.782 -12.422 1.00 0.00 H new ATOM 0 HG3 ARG A 40 91.162 -2.283 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 40 90.236 -4.195 -12.268 1.00 0.00 H new ATOM 0 HD3 ARG A 40 89.536 -4.080 -10.666 1.00 0.00 H new ATOM 0 HE ARG A 40 87.460 -3.429 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 40 90.097 -3.336 -13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 40 89.037 -3.229 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 40 86.099 -3.330 -13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 40 86.793 -3.226 -15.055 1.00 0.00 H new ATOM 658 N PRO A 45 85.326 4.099 -12.454 1.00 0.00 N ATOM 659 CA PRO A 45 84.613 3.701 -11.208 1.00 0.00 C ATOM 660 C PRO A 45 83.333 2.938 -11.536 1.00 0.00 C ATOM 661 O PRO A 45 82.797 3.062 -12.638 1.00 0.00 O ATOM 662 CB PRO A 45 84.318 5.023 -10.483 1.00 0.00 C ATOM 663 CG PRO A 45 84.917 6.124 -11.303 1.00 0.00 C ATOM 664 CD PRO A 45 85.817 5.483 -12.362 1.00 0.00 C ATOM 0 HA PRO A 45 85.205 3.028 -10.587 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.244 5.168 -10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.745 5.015 -9.480 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.134 6.717 -11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.493 6.801 -10.671 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.738 5.999 -13.319 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.866 5.516 -12.068 1.00 0.00 H new ATOM 672 N THR A 46 82.878 2.110 -10.601 1.00 0.00 N ATOM 673 CA THR A 46 81.671 1.316 -10.805 1.00 0.00 C ATOM 674 C THR A 46 80.843 1.268 -9.526 1.00 0.00 C ATOM 675 O THR A 46 81.358 0.960 -8.451 1.00 0.00 O ATOM 676 CB THR A 46 82.041 -0.108 -11.223 1.00 0.00 C ATOM 677 OG1 THR A 46 80.910 -0.952 -11.064 1.00 0.00 O ATOM 678 CG2 THR A 46 83.186 -0.620 -10.345 1.00 0.00 C ATOM 0 H THR A 46 83.326 1.971 -9.695 1.00 0.00 H new ATOM 0 HA THR A 46 81.083 1.784 -11.594 1.00 0.00 H new ATOM 0 HB THR A 46 82.357 -0.110 -12.266 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.143 -1.865 -11.332 1.00 0.00 H new ATOM 0 HG21 THR A 46 83.448 -1.635 -10.644 1.00 0.00 H new ATOM 0 HG22 THR A 46 84.054 0.029 -10.464 1.00 0.00 H new ATOM 0 HG23 THR A 46 82.872 -0.619 -9.301 1.00 0.00 H new ATOM 686 N THR A 47 79.570 1.627 -9.639 1.00 0.00 N ATOM 687 CA THR A 47 78.681 1.580 -8.486 1.00 0.00 C ATOM 688 C THR A 47 78.302 0.136 -8.175 1.00 0.00 C ATOM 689 O THR A 47 77.614 -0.505 -8.968 1.00 0.00 O ATOM 690 CB THR A 47 77.423 2.402 -8.784 1.00 0.00 C ATOM 691 OG1 THR A 47 77.761 3.483 -9.641 1.00 0.00 O ATOM 692 CG2 THR A 47 76.853 2.955 -7.477 1.00 0.00 C ATOM 0 H THR A 47 79.135 1.949 -10.504 1.00 0.00 H new ATOM 0 HA THR A 47 79.191 1.999 -7.618 1.00 0.00 H new ATOM 0 HB THR A 47 76.680 1.767 -9.267 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.609 3.878 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.958 3.540 -7.689 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.598 2.129 -6.813 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.596 3.591 -6.996 1.00 0.00 H new ATOM 700 N VAL A 48 78.615 -0.325 -6.966 1.00 0.00 N ATOM 701 CA VAL A 48 78.305 -1.706 -6.609 1.00 0.00 C ATOM 702 C VAL A 48 77.077 -1.788 -5.706 1.00 0.00 C ATOM 703 O VAL A 48 76.300 -2.735 -5.835 1.00 0.00 O ATOM 704 CB VAL A 48 79.518 -2.325 -5.899 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.132 -3.606 -5.146 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.620 -2.638 -6.916 1.00 0.00 C ATOM 0 H VAL A 48 79.071 0.221 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 48 78.082 -2.258 -7.522 1.00 0.00 H new ATOM 0 HB VAL A 48 79.885 -1.599 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.013 -4.019 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.374 -3.374 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.734 -4.336 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.475 -3.076 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.242 -3.342 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.928 -1.718 -7.413 1.00 0.00 H new ATOM 716 N ILE A 49 76.804 -0.754 -4.914 1.00 0.00 N ATOM 717 CA ILE A 49 75.617 -0.729 -4.074 1.00 0.00 C ATOM 718 C ILE A 49 75.107 0.708 -3.991 1.00 0.00 C ATOM 719 O ILE A 49 75.897 1.642 -3.867 1.00 0.00 O ATOM 720 CB ILE A 49 75.962 -1.289 -2.691 1.00 0.00 C ATOM 721 CG1 ILE A 49 76.051 -2.818 -2.735 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.889 -0.876 -1.682 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.728 -3.335 -1.464 1.00 0.00 C ATOM 0 H ILE A 49 77.391 0.077 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 49 74.828 -1.351 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 49 76.928 -0.886 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 49 75.053 -3.247 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.615 -3.133 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.139 -1.277 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.840 0.212 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.922 -1.268 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.789 -4.423 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.732 -2.918 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 49 76.146 -3.033 -0.593 1.00 0.00 H new ATOM 735 N TYR A 50 73.801 0.836 -3.794 1.00 0.00 N ATOM 736 CA TYR A 50 73.144 2.127 -3.609 1.00 0.00 C ATOM 737 C TYR A 50 72.055 2.025 -2.545 1.00 0.00 C ATOM 738 O TYR A 50 71.884 0.976 -1.931 1.00 0.00 O ATOM 739 CB TYR A 50 72.537 2.597 -4.938 1.00 0.00 C ATOM 740 CG TYR A 50 72.545 4.104 -5.019 1.00 0.00 C ATOM 741 CD1 TYR A 50 71.500 4.841 -4.452 1.00 0.00 C ATOM 742 CD2 TYR A 50 73.522 4.747 -5.784 1.00 0.00 C ATOM 743 CE1 TYR A 50 71.510 6.238 -4.538 1.00 0.00 C ATOM 744 CE2 TYR A 50 73.544 6.144 -5.860 1.00 0.00 C ATOM 745 CZ TYR A 50 72.534 6.888 -5.239 1.00 0.00 C ATOM 746 OH TYR A 50 72.525 8.263 -5.350 1.00 0.00 O ATOM 0 H TYR A 50 73.162 0.042 -3.758 1.00 0.00 H new ATOM 0 HA TYR A 50 73.886 2.853 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.103 2.179 -5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.516 2.227 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 50 70.689 4.334 -3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 50 74.260 4.166 -6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.729 6.814 -4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 50 74.336 6.646 -6.395 1.00 0.00 H new ATOM 0 HH TYR A 50 73.306 8.555 -5.866 1.00 0.00 H new ATOM 756 N GLU A 51 71.605 3.177 -2.067 1.00 0.00 N ATOM 757 CA GLU A 51 70.701 3.202 -0.921 1.00 0.00 C ATOM 758 C GLU A 51 71.181 2.254 0.170 1.00 0.00 C ATOM 759 O GLU A 51 70.406 1.728 0.968 1.00 0.00 O ATOM 760 CB GLU A 51 69.369 2.622 -1.411 1.00 0.00 C ATOM 761 CG GLU A 51 68.325 2.685 -0.286 1.00 0.00 C ATOM 762 CD GLU A 51 66.969 3.147 -0.810 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.885 4.281 -1.253 1.00 0.00 O ATOM 764 OE2 GLU A 51 66.029 2.374 -0.730 1.00 0.00 O ATOM 0 H GLU A 51 71.845 4.093 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 51 70.635 4.219 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.016 3.181 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.508 1.590 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.223 1.702 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.667 3.367 0.492 1.00 0.00 H new ATOM 771 N ASP A 52 72.473 1.965 0.103 1.00 0.00 N ATOM 772 CA ASP A 52 73.135 1.031 1.004 1.00 0.00 C ATOM 773 C ASP A 52 72.243 -0.192 1.178 1.00 0.00 C ATOM 774 O ASP A 52 72.490 -0.998 2.075 1.00 0.00 O ATOM 775 CB ASP A 52 73.411 1.673 2.365 1.00 0.00 C ATOM 776 CG ASP A 52 72.374 2.746 2.680 1.00 0.00 C ATOM 777 OD1 ASP A 52 72.337 3.728 1.957 1.00 0.00 O ATOM 778 OD2 ASP A 52 71.526 2.494 3.523 1.00 0.00 O ATOM 0 H ASP A 52 73.100 2.378 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 52 74.094 0.743 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.397 0.909 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.408 2.113 2.369 1.00 0.00 H new ATOM 783 N ASN A 53 71.289 -0.400 0.272 1.00 0.00 N ATOM 784 CA ASN A 53 70.481 -1.614 0.287 1.00 0.00 C ATOM 785 C ASN A 53 70.444 -2.308 -1.067 1.00 0.00 C ATOM 786 O ASN A 53 70.401 -3.536 -1.136 1.00 0.00 O ATOM 787 CB ASN A 53 69.084 -1.284 0.834 1.00 0.00 C ATOM 788 CG ASN A 53 68.000 -1.353 -0.237 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.537 -0.326 -0.732 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.565 -2.519 -0.629 1.00 0.00 N ATOM 0 H ASN A 53 71.059 0.253 -0.477 1.00 0.00 H new ATOM 0 HA ASN A 53 70.947 -2.339 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.840 -1.979 1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 53 69.096 -0.285 1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.841 -2.579 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.948 -3.371 -0.219 1.00 0.00 H new ATOM 797 N GLN A 54 70.205 -1.518 -2.111 1.00 0.00 N ATOM 798 CA GLN A 54 69.815 -2.129 -3.376 1.00 0.00 C ATOM 799 C GLN A 54 71.050 -2.797 -3.978 1.00 0.00 C ATOM 800 O GLN A 54 72.171 -2.498 -3.566 1.00 0.00 O ATOM 801 CB GLN A 54 69.137 -1.167 -4.359 1.00 0.00 C ATOM 802 CG GLN A 54 69.880 0.164 -4.487 1.00 0.00 C ATOM 803 CD GLN A 54 71.379 -0.055 -4.359 1.00 0.00 C ATOM 804 OE1 GLN A 54 71.875 -0.449 -3.308 1.00 0.00 O ATOM 805 NE2 GLN A 54 72.082 -0.045 -5.450 1.00 0.00 N ATOM 0 H GLN A 54 70.270 -0.500 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 54 69.043 -2.871 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 54 69.074 -1.640 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 54 68.115 -0.978 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.653 0.624 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 54 69.539 0.854 -3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.666 0.283 -6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 54 73.050 -0.365 -5.436 1.00 0.00 H new ATOM 814 N ARG A 55 70.890 -3.831 -4.795 1.00 0.00 N ATOM 815 CA ARG A 55 72.056 -4.481 -5.390 1.00 0.00 C ATOM 816 C ARG A 55 71.841 -4.664 -6.890 1.00 0.00 C ATOM 817 O ARG A 55 71.043 -5.515 -7.281 1.00 0.00 O ATOM 818 CB ARG A 55 72.281 -5.833 -4.708 1.00 0.00 C ATOM 819 CG ARG A 55 73.660 -6.392 -5.077 1.00 0.00 C ATOM 820 CD ARG A 55 74.099 -7.459 -4.067 1.00 0.00 C ATOM 821 NE ARG A 55 75.527 -7.732 -4.179 1.00 0.00 N ATOM 822 CZ ARG A 55 76.420 -6.752 -4.272 1.00 0.00 C ATOM 823 NH1 ARG A 55 76.238 -5.646 -3.603 1.00 0.00 N ATOM 824 NH2 ARG A 55 77.441 -6.865 -5.075 1.00 0.00 N ATOM 0 H ARG A 55 69.989 -4.231 -5.057 1.00 0.00 H new ATOM 0 HA ARG A 55 72.939 -3.858 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 55 72.204 -5.720 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.504 -6.535 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.628 -6.823 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.391 -5.584 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 55 73.868 -7.124 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 55 73.536 -8.377 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 55 75.849 -8.700 -4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 55 75.414 -5.537 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 55 76.920 -4.891 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.558 -7.709 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.123 -6.110 -5.142 1.00 0.00 H new ATOM 838 N PRO A 56 72.519 -3.937 -7.743 1.00 0.00 N ATOM 839 CA PRO A 56 72.360 -4.114 -9.214 1.00 0.00 C ATOM 840 C PRO A 56 72.946 -5.444 -9.683 1.00 0.00 C ATOM 841 O PRO A 56 74.031 -5.835 -9.253 1.00 0.00 O ATOM 842 CB PRO A 56 73.095 -2.924 -9.850 1.00 0.00 C ATOM 843 CG PRO A 56 73.573 -2.055 -8.731 1.00 0.00 C ATOM 844 CD PRO A 56 73.498 -2.877 -7.443 1.00 0.00 C ATOM 0 HA PRO A 56 71.309 -4.138 -9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 56 73.933 -3.268 -10.456 1.00 0.00 H new ATOM 0 HB3 PRO A 56 72.430 -2.369 -10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.595 -1.722 -8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.956 -1.160 -8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.470 -3.296 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.177 -2.266 -6.599 1.00 0.00 H new ATOM 852 N SER A 57 72.283 -6.068 -10.652 1.00 0.00 N ATOM 853 CA SER A 57 72.792 -7.305 -11.233 1.00 0.00 C ATOM 854 C SER A 57 73.982 -7.032 -12.148 1.00 0.00 C ATOM 855 O SER A 57 74.745 -7.941 -12.474 1.00 0.00 O ATOM 856 CB SER A 57 71.683 -8.004 -12.021 1.00 0.00 C ATOM 857 OG SER A 57 72.076 -9.339 -12.306 1.00 0.00 O ATOM 0 H SER A 57 71.401 -5.742 -11.048 1.00 0.00 H new ATOM 0 HA SER A 57 73.125 -7.951 -10.421 1.00 0.00 H new ATOM 0 HB2 SER A 57 70.756 -8.001 -11.447 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.486 -7.466 -12.948 1.00 0.00 H new ATOM 0 HG SER A 57 71.366 -9.789 -12.810 1.00 0.00 H new ATOM 863 N GLY A 58 74.122 -5.783 -12.581 1.00 0.00 N ATOM 864 CA GLY A 58 75.193 -5.415 -13.502 1.00 0.00 C ATOM 865 C GLY A 58 76.563 -5.644 -12.872 1.00 0.00 C ATOM 866 O GLY A 58 77.436 -6.257 -13.487 1.00 0.00 O ATOM 0 H GLY A 58 73.511 -5.012 -12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.108 -6.002 -14.417 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.090 -4.367 -13.784 1.00 0.00 H new ATOM 870 N VAL A 59 76.677 -5.351 -11.580 1.00 0.00 N ATOM 871 CA VAL A 59 77.953 -5.483 -10.885 1.00 0.00 C ATOM 872 C VAL A 59 77.946 -6.752 -10.037 1.00 0.00 C ATOM 873 O VAL A 59 76.886 -7.173 -9.573 1.00 0.00 O ATOM 874 CB VAL A 59 78.164 -4.277 -9.963 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.386 -3.017 -10.807 1.00 0.00 C ATOM 876 CG2 VAL A 59 76.954 -4.105 -9.029 1.00 0.00 C ATOM 0 H VAL A 59 75.907 -5.023 -10.997 1.00 0.00 H new ATOM 0 HA VAL A 59 78.755 -5.533 -11.621 1.00 0.00 H new ATOM 0 HB VAL A 59 79.047 -4.444 -9.346 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.536 -2.161 -10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.267 -3.151 -11.435 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.514 -2.843 -11.437 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.116 -3.245 -8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.055 -3.946 -9.624 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.833 -5.002 -8.421 1.00 0.00 H new ATOM 886 N PRO A 60 79.076 -7.376 -9.824 1.00 0.00 N ATOM 887 CA PRO A 60 79.127 -8.689 -9.126 1.00 0.00 C ATOM 888 C PRO A 60 78.416 -8.629 -7.778 1.00 0.00 C ATOM 889 O PRO A 60 78.602 -7.680 -7.018 1.00 0.00 O ATOM 890 CB PRO A 60 80.622 -8.995 -8.960 1.00 0.00 C ATOM 891 CG PRO A 60 81.373 -7.844 -9.551 1.00 0.00 C ATOM 892 CD PRO A 60 80.388 -7.031 -10.394 1.00 0.00 C ATOM 0 HA PRO A 60 78.616 -9.469 -9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 60 80.875 -9.121 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 60 80.883 -9.925 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.805 -7.225 -8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.199 -8.201 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.587 -5.962 -10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.449 -7.297 -11.449 1.00 0.00 H new ATOM 900 N ASP A 61 77.470 -9.540 -7.578 1.00 0.00 N ATOM 901 CA ASP A 61 76.727 -9.595 -6.325 1.00 0.00 C ATOM 902 C ASP A 61 77.631 -9.858 -5.122 1.00 0.00 C ATOM 903 O ASP A 61 77.144 -10.156 -4.031 1.00 0.00 O ATOM 904 CB ASP A 61 75.619 -10.645 -6.419 1.00 0.00 C ATOM 905 CG ASP A 61 74.526 -10.159 -7.367 1.00 0.00 C ATOM 906 OD1 ASP A 61 74.515 -8.978 -7.677 1.00 0.00 O ATOM 907 OD2 ASP A 61 73.736 -10.980 -7.803 1.00 0.00 O ATOM 0 H ASP A 61 77.201 -10.246 -8.263 1.00 0.00 H new ATOM 0 HA ASP A 61 76.277 -8.615 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 61 76.030 -11.589 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 61 75.199 -10.833 -5.431 1.00 0.00 H new ATOM 912 N ARG A 62 78.935 -9.952 -5.367 1.00 0.00 N ATOM 913 CA ARG A 62 79.881 -10.347 -4.329 1.00 0.00 C ATOM 914 C ARG A 62 80.027 -9.271 -3.255 1.00 0.00 C ATOM 915 O ARG A 62 81.042 -9.236 -2.559 1.00 0.00 O ATOM 916 CB ARG A 62 81.253 -10.601 -4.963 1.00 0.00 C ATOM 917 CG ARG A 62 81.245 -11.938 -5.708 1.00 0.00 C ATOM 918 CD ARG A 62 82.615 -12.190 -6.346 1.00 0.00 C ATOM 919 NE ARG A 62 83.176 -10.951 -6.874 1.00 0.00 N ATOM 920 CZ ARG A 62 84.062 -10.239 -6.184 1.00 0.00 C ATOM 921 NH1 ARG A 62 84.977 -10.843 -5.475 1.00 0.00 N ATOM 922 NH2 ARG A 62 84.033 -8.935 -6.234 1.00 0.00 N ATOM 0 H ARG A 62 79.360 -9.760 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 62 79.498 -11.252 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 62 81.500 -9.793 -5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 62 82.023 -10.609 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 62 81.001 -12.746 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.472 -11.931 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.293 -12.615 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.519 -12.922 -7.148 1.00 0.00 H new ATOM 0 HE ARG A 62 82.882 -10.623 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 62 85.013 -11.862 -5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 62 85.656 -10.296 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.331 -8.462 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.713 -8.389 -5.705 1.00 0.00 H new ATOM 936 N PHE A 63 79.049 -8.376 -3.125 1.00 0.00 N ATOM 937 CA PHE A 63 79.104 -7.347 -2.089 1.00 0.00 C ATOM 938 C PHE A 63 77.788 -7.284 -1.325 1.00 0.00 C ATOM 939 O PHE A 63 76.726 -7.583 -1.869 1.00 0.00 O ATOM 940 CB PHE A 63 79.406 -5.979 -2.703 1.00 0.00 C ATOM 941 CG PHE A 63 80.690 -6.070 -3.494 1.00 0.00 C ATOM 942 CD1 PHE A 63 80.704 -6.761 -4.711 1.00 0.00 C ATOM 943 CD2 PHE A 63 81.774 -5.252 -3.155 1.00 0.00 C ATOM 944 CE1 PHE A 63 81.859 -6.773 -5.500 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.915 -5.227 -3.966 1.00 0.00 C ATOM 946 CZ PHE A 63 82.953 -5.975 -5.148 1.00 0.00 C ATOM 0 H PHE A 63 78.219 -8.342 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 63 79.904 -7.610 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 63 78.586 -5.667 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 63 79.498 -5.226 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 63 79.820 -7.287 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.730 -4.639 -2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 63 81.906 -7.398 -6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.767 -4.629 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.823 -5.936 -5.786 1.00 0.00 H new ATOM 956 N SER A 64 77.873 -7.030 -0.023 1.00 0.00 N ATOM 957 CA SER A 64 76.669 -6.904 0.792 1.00 0.00 C ATOM 958 C SER A 64 76.662 -5.596 1.567 1.00 0.00 C ATOM 959 O SER A 64 77.268 -5.529 2.630 1.00 0.00 O ATOM 960 CB SER A 64 76.540 -8.092 1.747 1.00 0.00 C ATOM 961 OG SER A 64 75.178 -8.293 2.095 1.00 0.00 O ATOM 0 H SER A 64 78.749 -6.909 0.485 1.00 0.00 H new ATOM 0 HA SER A 64 75.810 -6.901 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.940 -8.991 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 64 77.130 -7.912 2.646 1.00 0.00 H new ATOM 0 HG SER A 64 75.105 -9.057 2.705 1.00 0.00 H new ATOM 967 N GLY A 65 75.591 -4.854 1.320 1.00 0.00 N ATOM 968 CA GLY A 65 75.337 -3.588 1.992 1.00 0.00 C ATOM 969 C GLY A 65 74.156 -3.721 2.945 1.00 0.00 C ATOM 970 O GLY A 65 73.113 -4.267 2.586 1.00 0.00 O ATOM 0 H GLY A 65 74.872 -5.115 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 65 76.224 -3.277 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 65 75.132 -2.812 1.254 1.00 0.00 H new ATOM 974 N SER A 66 74.310 -3.156 4.137 1.00 0.00 N ATOM 975 CA SER A 66 73.239 -3.210 5.122 1.00 0.00 C ATOM 976 C SER A 66 73.473 -2.184 6.224 1.00 0.00 C ATOM 977 O SER A 66 74.593 -1.717 6.432 1.00 0.00 O ATOM 978 CB SER A 66 73.161 -4.611 5.731 1.00 0.00 C ATOM 979 OG SER A 66 74.243 -4.793 6.633 1.00 0.00 O ATOM 0 H SER A 66 75.150 -2.664 4.440 1.00 0.00 H new ATOM 0 HA SER A 66 72.298 -2.979 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.213 -4.741 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.198 -5.364 4.944 1.00 0.00 H new ATOM 0 HG SER A 66 75.008 -4.256 6.339 1.00 0.00 H new ATOM 985 N ILE A 67 72.398 -1.850 6.929 1.00 0.00 N ATOM 986 CA ILE A 67 72.446 -0.855 7.993 1.00 0.00 C ATOM 987 C ILE A 67 71.570 -1.279 9.166 1.00 0.00 C ATOM 988 O ILE A 67 70.813 -2.244 9.062 1.00 0.00 O ATOM 989 CB ILE A 67 71.943 0.493 7.474 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.517 0.351 6.921 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.898 0.993 6.388 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.466 0.783 7.949 1.00 0.00 C ATOM 0 H ILE A 67 71.475 -2.258 6.781 1.00 0.00 H new ATOM 0 HA ILE A 67 73.481 -0.767 8.324 1.00 0.00 H new ATOM 0 HB ILE A 67 71.916 1.216 8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.414 0.955 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.340 -0.685 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.549 1.954 6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.897 1.109 6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.929 0.272 5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.470 0.668 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.552 0.162 8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.627 1.827 8.218 1.00 0.00 H new ATOM 1004 N ASP A 68 71.924 -0.768 10.339 1.00 0.00 N ATOM 1005 CA ASP A 68 71.146 -1.005 11.552 1.00 0.00 C ATOM 1006 C ASP A 68 70.295 0.204 11.929 1.00 0.00 C ATOM 1007 O ASP A 68 70.709 1.347 11.736 1.00 0.00 O ATOM 1008 CB ASP A 68 72.090 -1.385 12.692 1.00 0.00 C ATOM 1009 CG ASP A 68 72.625 -2.795 12.458 1.00 0.00 C ATOM 1010 OD1 ASP A 68 71.887 -3.731 12.718 1.00 0.00 O ATOM 1011 OD2 ASP A 68 73.685 -2.915 11.867 1.00 0.00 O ATOM 0 H ASP A 68 72.749 -0.184 10.478 1.00 0.00 H new ATOM 0 HA ASP A 68 70.456 -1.827 11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.916 -0.675 12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.564 -1.337 13.646 1.00 0.00 H new ATOM 1016 N SER A 69 69.202 -0.049 12.642 1.00 0.00 N ATOM 1017 CA SER A 69 68.347 1.033 13.118 1.00 0.00 C ATOM 1018 C SER A 69 69.045 1.840 14.209 1.00 0.00 C ATOM 1019 O SER A 69 68.432 2.693 14.853 1.00 0.00 O ATOM 1020 CB SER A 69 67.036 0.460 13.660 1.00 0.00 C ATOM 1021 OG SER A 69 67.303 -0.364 14.786 1.00 0.00 O ATOM 0 H SER A 69 68.889 -0.985 12.901 1.00 0.00 H new ATOM 0 HA SER A 69 68.136 1.696 12.279 1.00 0.00 H new ATOM 0 HB2 SER A 69 66.363 1.270 13.941 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.533 -0.118 12.885 1.00 0.00 H new ATOM 0 HG SER A 69 66.461 -0.728 15.132 1.00 0.00 H new ATOM 1027 N SER A 70 70.324 1.553 14.425 1.00 0.00 N ATOM 1028 CA SER A 70 71.086 2.259 15.449 1.00 0.00 C ATOM 1029 C SER A 70 71.420 3.674 14.989 1.00 0.00 C ATOM 1030 O SER A 70 71.465 4.599 15.800 1.00 0.00 O ATOM 1031 CB SER A 70 72.380 1.497 15.745 1.00 0.00 C ATOM 1032 OG SER A 70 72.077 0.341 16.512 1.00 0.00 O ATOM 0 H SER A 70 70.850 0.845 13.912 1.00 0.00 H new ATOM 0 HA SER A 70 70.481 2.319 16.354 1.00 0.00 H new ATOM 0 HB2 SER A 70 72.869 1.212 14.814 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.076 2.136 16.288 1.00 0.00 H new ATOM 0 HG SER A 70 72.903 -0.151 16.702 1.00 0.00 H new ATOM 1038 N SER A 71 71.827 3.786 13.729 1.00 0.00 N ATOM 1039 CA SER A 71 72.239 5.064 13.156 1.00 0.00 C ATOM 1040 C SER A 71 73.664 5.408 13.577 1.00 0.00 C ATOM 1041 O SER A 71 73.985 6.575 13.804 1.00 0.00 O ATOM 1042 CB SER A 71 71.292 6.202 13.546 1.00 0.00 C ATOM 1043 OG SER A 71 71.632 6.694 14.834 1.00 0.00 O ATOM 0 H SER A 71 71.881 3.001 13.080 1.00 0.00 H new ATOM 0 HA SER A 71 72.200 4.954 12.072 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.354 7.006 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 71 70.262 5.846 13.543 1.00 0.00 H new ATOM 0 HG SER A 71 71.331 6.059 15.517 1.00 0.00 H new ATOM 1049 N ASN A 72 74.478 4.380 13.800 1.00 0.00 N ATOM 1050 CA ASN A 72 75.845 4.574 14.278 1.00 0.00 C ATOM 1051 C ASN A 72 76.840 4.471 13.127 1.00 0.00 C ATOM 1052 O ASN A 72 77.816 5.220 13.075 1.00 0.00 O ATOM 1053 CB ASN A 72 76.175 3.521 15.341 1.00 0.00 C ATOM 1054 CG ASN A 72 77.388 3.957 16.157 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.415 3.277 16.157 1.00 0.00 O ATOM 1056 ND2 ASN A 72 77.335 5.069 16.838 1.00 0.00 N ATOM 0 H ASN A 72 74.216 3.405 13.658 1.00 0.00 H new ATOM 0 HA ASN A 72 75.921 5.570 14.714 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.318 3.377 15.999 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.375 2.562 14.863 1.00 0.00 H new ATOM 0 HD21 ASN A 72 78.146 5.378 17.373 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.482 5.629 16.835 1.00 0.00 H new ATOM 1063 N SER A 73 76.587 3.552 12.199 1.00 0.00 N ATOM 1064 CA SER A 73 77.459 3.418 11.036 1.00 0.00 C ATOM 1065 C SER A 73 76.835 2.491 9.995 1.00 0.00 C ATOM 1066 O SER A 73 76.041 1.622 10.350 1.00 0.00 O ATOM 1067 CB SER A 73 78.823 2.881 11.472 1.00 0.00 C ATOM 1068 OG SER A 73 78.697 1.517 11.848 1.00 0.00 O ATOM 0 H SER A 73 75.802 2.901 12.227 1.00 0.00 H new ATOM 0 HA SER A 73 77.588 4.401 10.582 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.542 2.980 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.206 3.466 12.308 1.00 0.00 H new ATOM 0 HG SER A 73 79.571 1.172 12.126 1.00 0.00 H new ATOM 1074 N ALA A 74 77.457 2.409 8.822 1.00 0.00 N ATOM 1075 CA ALA A 74 76.933 1.561 7.753 1.00 0.00 C ATOM 1076 C ALA A 74 77.835 0.345 7.565 1.00 0.00 C ATOM 1077 O ALA A 74 79.050 0.484 7.427 1.00 0.00 O ATOM 1078 CB ALA A 74 76.868 2.349 6.442 1.00 0.00 C ATOM 0 H ALA A 74 78.313 2.912 8.588 1.00 0.00 H new ATOM 0 HA ALA A 74 75.931 1.232 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.476 1.709 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.214 3.211 6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.868 2.689 6.172 1.00 0.00 H new ATOM 1084 N SER A 75 77.236 -0.840 7.671 1.00 0.00 N ATOM 1085 CA SER A 75 77.997 -2.093 7.672 1.00 0.00 C ATOM 1086 C SER A 75 77.710 -2.952 6.444 1.00 0.00 C ATOM 1087 O SER A 75 76.566 -2.952 5.989 1.00 0.00 O ATOM 1088 CB SER A 75 77.628 -2.925 8.902 1.00 0.00 C ATOM 1089 OG SER A 75 77.711 -2.121 10.068 1.00 0.00 O ATOM 0 H SER A 75 76.227 -0.961 7.757 1.00 0.00 H new ATOM 0 HA SER A 75 79.050 -1.813 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.619 -3.322 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.299 -3.779 8.989 1.00 0.00 H new ATOM 0 HG SER A 75 77.472 -2.657 10.853 1.00 0.00 H new ATOM 1095 N LEU A 76 78.740 -3.079 5.614 1.00 0.00 N ATOM 1096 CA LEU A 76 78.780 -4.023 4.498 1.00 0.00 C ATOM 1097 C LEU A 76 79.494 -5.349 4.766 1.00 0.00 C ATOM 1098 O LEU A 76 80.611 -5.343 5.280 1.00 0.00 O ATOM 1099 CB LEU A 76 79.281 -3.295 3.248 1.00 0.00 C ATOM 1100 CG LEU A 76 79.920 -4.276 2.254 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.844 -3.650 0.857 1.00 0.00 C ATOM 1102 CD2 LEU A 76 81.372 -4.566 2.667 1.00 0.00 C ATOM 0 H LEU A 76 79.588 -2.519 5.698 1.00 0.00 H new ATOM 0 HA LEU A 76 77.757 -4.362 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.451 -2.776 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 76 80.009 -2.536 3.533 1.00 0.00 H new ATOM 0 HG LEU A 76 79.389 -5.228 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 76 80.292 -4.327 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.801 -3.473 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 76 80.385 -2.704 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.820 -5.262 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.942 -3.637 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.386 -5.005 3.665 1.00 0.00 H new ATOM 1114 N THR A 77 78.959 -6.459 4.257 1.00 0.00 N ATOM 1115 CA THR A 77 79.708 -7.713 4.154 1.00 0.00 C ATOM 1116 C THR A 77 79.998 -8.129 2.709 1.00 0.00 C ATOM 1117 O THR A 77 79.105 -8.565 1.984 1.00 0.00 O ATOM 1118 CB THR A 77 78.876 -8.777 4.868 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.985 -8.593 6.272 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.334 -10.192 4.502 1.00 0.00 C ATOM 0 H THR A 77 78.003 -6.515 3.907 1.00 0.00 H new ATOM 0 HA THR A 77 80.688 -7.587 4.613 1.00 0.00 H new ATOM 0 HB THR A 77 77.839 -8.667 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.701 -7.951 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.719 -10.921 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.232 -10.341 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.377 -10.322 4.789 1.00 0.00 H new ATOM 1128 N ILE A 78 81.272 -8.370 2.419 1.00 0.00 N ATOM 1129 CA ILE A 78 81.677 -8.942 1.135 1.00 0.00 C ATOM 1130 C ILE A 78 81.616 -10.465 1.174 1.00 0.00 C ATOM 1131 O ILE A 78 82.438 -11.108 1.828 1.00 0.00 O ATOM 1132 CB ILE A 78 83.110 -8.531 0.790 1.00 0.00 C ATOM 1133 CG1 ILE A 78 83.287 -7.015 0.902 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.471 -8.955 -0.636 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.202 -6.304 0.093 1.00 0.00 C ATOM 0 H ILE A 78 82.045 -8.178 3.056 1.00 0.00 H new ATOM 0 HA ILE A 78 80.987 -8.564 0.380 1.00 0.00 H new ATOM 0 HB ILE A 78 83.767 -9.031 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 78 83.233 -6.710 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.273 -6.727 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.494 -8.652 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.386 -10.038 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.790 -8.478 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.334 -5.225 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 78 82.277 -6.598 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 78 81.221 -6.581 0.478 1.00 0.00 H new ATOM 1147 N SER A 79 80.713 -11.037 0.384 1.00 0.00 N ATOM 1148 CA SER A 79 80.584 -12.487 0.275 1.00 0.00 C ATOM 1149 C SER A 79 81.193 -12.999 -1.026 1.00 0.00 C ATOM 1150 O SER A 79 80.899 -12.486 -2.105 1.00 0.00 O ATOM 1151 CB SER A 79 79.107 -12.876 0.349 1.00 0.00 C ATOM 1152 OG SER A 79 78.964 -14.244 -0.002 1.00 0.00 O ATOM 0 H SER A 79 80.055 -10.514 -0.194 1.00 0.00 H new ATOM 0 HA SER A 79 81.126 -12.944 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 79 78.724 -12.705 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.521 -12.252 -0.326 1.00 0.00 H new ATOM 0 HG SER A 79 78.018 -14.497 0.046 1.00 0.00 H new ATOM 1158 N GLY A 80 82.014 -14.038 -0.920 1.00 0.00 N ATOM 1159 CA GLY A 80 82.632 -14.635 -2.097 1.00 0.00 C ATOM 1160 C GLY A 80 83.783 -13.772 -2.600 1.00 0.00 C ATOM 1161 O GLY A 80 84.134 -13.820 -3.778 1.00 0.00 O ATOM 0 H GLY A 80 82.266 -14.482 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 80 82.998 -15.633 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 80 81.888 -14.752 -2.885 1.00 0.00 H new ATOM 1165 N LEU A 81 84.455 -13.095 -1.673 1.00 0.00 N ATOM 1166 CA LEU A 81 85.601 -12.271 -2.038 1.00 0.00 C ATOM 1167 C LEU A 81 86.528 -13.045 -2.966 1.00 0.00 C ATOM 1168 O LEU A 81 86.879 -14.195 -2.704 1.00 0.00 O ATOM 1169 CB LEU A 81 86.361 -11.836 -0.780 1.00 0.00 C ATOM 1170 CG LEU A 81 87.704 -11.183 -1.143 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.979 -9.971 -0.249 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.848 -12.191 -0.990 1.00 0.00 C ATOM 0 H LEU A 81 84.230 -13.100 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 81 85.243 -11.382 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.754 -11.133 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.535 -12.700 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 81 87.645 -10.855 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.935 -9.525 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.185 -9.236 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 81 88.013 -10.288 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.792 -11.712 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.891 -12.539 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.676 -13.040 -1.652 1.00 0.00 H new ATOM 1184 N LYS A 82 86.950 -12.378 -4.035 1.00 0.00 N ATOM 1185 CA LYS A 82 87.866 -12.976 -4.998 1.00 0.00 C ATOM 1186 C LYS A 82 88.819 -11.905 -5.515 1.00 0.00 C ATOM 1187 O LYS A 82 88.575 -10.710 -5.350 1.00 0.00 O ATOM 1188 CB LYS A 82 87.070 -13.605 -6.150 1.00 0.00 C ATOM 1189 CG LYS A 82 87.446 -15.078 -6.320 1.00 0.00 C ATOM 1190 CD LYS A 82 86.817 -15.645 -7.596 1.00 0.00 C ATOM 1191 CE LYS A 82 85.290 -15.594 -7.492 1.00 0.00 C ATOM 1192 NZ LYS A 82 84.693 -16.546 -8.470 1.00 0.00 N ATOM 0 H LYS A 82 86.672 -11.422 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 82 88.449 -13.762 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.002 -13.517 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.269 -13.064 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 82 88.530 -15.180 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 82 87.107 -15.649 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 82 87.150 -15.073 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.146 -16.673 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 82 84.975 -15.850 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 82 84.935 -14.583 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 83.656 -16.511 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 84.983 -16.282 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 85.022 -17.510 -8.261 1.00 0.00 H new ATOM 1206 N THR A 83 89.814 -12.345 -6.275 1.00 0.00 N ATOM 1207 CA THR A 83 90.708 -11.415 -6.952 1.00 0.00 C ATOM 1208 C THR A 83 89.896 -10.315 -7.626 1.00 0.00 C ATOM 1209 O THR A 83 90.439 -9.285 -8.024 1.00 0.00 O ATOM 1210 CB THR A 83 91.560 -12.156 -7.986 1.00 0.00 C ATOM 1211 OG1 THR A 83 91.920 -11.260 -9.027 1.00 0.00 O ATOM 1212 CG2 THR A 83 90.769 -13.328 -8.574 1.00 0.00 C ATOM 0 H THR A 83 90.021 -13.331 -6.437 1.00 0.00 H new ATOM 0 HA THR A 83 91.373 -10.963 -6.216 1.00 0.00 H new ATOM 0 HB THR A 83 92.458 -12.539 -7.502 1.00 0.00 H new ATOM 0 HG1 THR A 83 91.800 -10.337 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.383 -13.849 -9.309 1.00 0.00 H new ATOM 0 HG22 THR A 83 90.494 -14.018 -7.776 1.00 0.00 H new ATOM 0 HG23 THR A 83 89.867 -12.952 -9.056 1.00 0.00 H new ATOM 1220 N GLU A 84 88.610 -10.584 -7.829 1.00 0.00 N ATOM 1221 CA GLU A 84 87.719 -9.584 -8.406 1.00 0.00 C ATOM 1222 C GLU A 84 87.450 -8.453 -7.417 1.00 0.00 C ATOM 1223 O GLU A 84 87.423 -7.285 -7.808 1.00 0.00 O ATOM 1224 CB GLU A 84 86.401 -10.242 -8.830 1.00 0.00 C ATOM 1225 CG GLU A 84 86.556 -10.884 -10.211 1.00 0.00 C ATOM 1226 CD GLU A 84 87.645 -11.950 -10.169 1.00 0.00 C ATOM 1227 OE1 GLU A 84 87.494 -12.889 -9.406 1.00 0.00 O ATOM 1228 OE2 GLU A 84 88.563 -11.862 -10.968 1.00 0.00 O ATOM 0 H GLU A 84 88.166 -11.475 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 84 88.205 -9.156 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.111 -10.997 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.605 -9.498 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 84 85.611 -11.329 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 84 86.809 -10.123 -10.949 1.00 0.00 H new ATOM 1235 N ASP A 85 87.286 -8.785 -6.140 1.00 0.00 N ATOM 1236 CA ASP A 85 87.019 -7.757 -5.141 1.00 0.00 C ATOM 1237 C ASP A 85 88.259 -6.895 -4.925 1.00 0.00 C ATOM 1238 O ASP A 85 88.175 -5.816 -4.336 1.00 0.00 O ATOM 1239 CB ASP A 85 86.591 -8.426 -3.828 1.00 0.00 C ATOM 1240 CG ASP A 85 85.077 -8.383 -3.654 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.551 -7.287 -3.546 1.00 0.00 O ATOM 1242 OD2 ASP A 85 84.473 -9.440 -3.588 1.00 0.00 O ATOM 0 H ASP A 85 87.332 -9.737 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 85 86.214 -7.111 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.932 -9.461 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.070 -7.924 -2.988 1.00 0.00 H new ATOM 1247 N GLU A 86 89.379 -7.315 -5.503 1.00 0.00 N ATOM 1248 CA GLU A 86 90.607 -6.536 -5.404 1.00 0.00 C ATOM 1249 C GLU A 86 90.398 -5.158 -6.021 1.00 0.00 C ATOM 1250 O GLU A 86 90.104 -5.050 -7.211 1.00 0.00 O ATOM 1251 CB GLU A 86 91.741 -7.250 -6.142 1.00 0.00 C ATOM 1252 CG GLU A 86 93.079 -6.611 -5.764 1.00 0.00 C ATOM 1253 CD GLU A 86 94.224 -7.400 -6.388 1.00 0.00 C ATOM 1254 OE1 GLU A 86 93.974 -8.499 -6.856 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.339 -6.904 -6.365 1.00 0.00 O ATOM 0 H GLU A 86 89.462 -8.179 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 86 90.870 -6.429 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.746 -8.309 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.586 -7.184 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.108 -5.577 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.189 -6.590 -4.680 1.00 0.00 H new ATOM 1262 N ALA A 87 90.634 -4.116 -5.229 1.00 0.00 N ATOM 1263 CA ALA A 87 90.488 -2.742 -5.700 1.00 0.00 C ATOM 1264 C ALA A 87 90.267 -1.812 -4.511 1.00 0.00 C ATOM 1265 O ALA A 87 90.284 -2.246 -3.360 1.00 0.00 O ATOM 1266 CB ALA A 87 89.322 -2.615 -6.688 1.00 0.00 C ATOM 0 H ALA A 87 90.928 -4.197 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 87 91.403 -2.459 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.238 -1.581 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.502 -3.260 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.396 -2.914 -6.198 1.00 0.00 H new ATOM 1272 N ASP A 88 90.101 -0.523 -4.794 1.00 0.00 N ATOM 1273 CA ASP A 88 89.825 0.456 -3.748 1.00 0.00 C ATOM 1274 C ASP A 88 88.327 0.563 -3.482 1.00 0.00 C ATOM 1275 O ASP A 88 87.514 0.348 -4.379 1.00 0.00 O ATOM 1276 CB ASP A 88 90.368 1.825 -4.160 1.00 0.00 C ATOM 1277 CG ASP A 88 90.241 2.804 -2.998 1.00 0.00 C ATOM 1278 OD1 ASP A 88 89.131 3.004 -2.536 1.00 0.00 O ATOM 1279 OD2 ASP A 88 91.246 3.389 -2.631 1.00 0.00 O ATOM 0 H ASP A 88 90.153 -0.134 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 88 90.318 0.125 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 88 91.412 1.737 -4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 88 89.819 2.199 -5.024 1.00 0.00 H new ATOM 1284 N TYR A 89 87.972 0.888 -2.242 1.00 0.00 N ATOM 1285 CA TYR A 89 86.575 1.042 -1.844 1.00 0.00 C ATOM 1286 C TYR A 89 86.286 2.486 -1.444 1.00 0.00 C ATOM 1287 O TYR A 89 87.123 3.145 -0.828 1.00 0.00 O ATOM 1288 CB TYR A 89 86.283 0.106 -0.667 1.00 0.00 C ATOM 1289 CG TYR A 89 86.101 -1.309 -1.166 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.174 -1.980 -1.767 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.877 -1.968 -0.994 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.005 -3.281 -2.253 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.715 -3.278 -1.459 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.780 -3.936 -2.086 1.00 0.00 C ATOM 1295 OH TYR A 89 85.622 -5.226 -2.549 1.00 0.00 O ATOM 0 H TYR A 89 88.640 1.051 -1.488 1.00 0.00 H new ATOM 0 HA TYR A 89 85.934 0.786 -2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.102 0.145 0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.385 0.435 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.133 -1.492 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.058 -1.465 -0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.820 -3.780 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.768 -3.782 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 89 84.670 -5.407 -2.695 1.00 0.00 H new ATOM 1305 N TYR A 90 85.075 2.949 -1.741 1.00 0.00 N ATOM 1306 CA TYR A 90 84.661 4.313 -1.423 1.00 0.00 C ATOM 1307 C TYR A 90 83.190 4.336 -1.013 1.00 0.00 C ATOM 1308 O TYR A 90 82.410 3.504 -1.477 1.00 0.00 O ATOM 1309 CB TYR A 90 84.879 5.229 -2.631 1.00 0.00 C ATOM 1310 CG TYR A 90 86.357 5.478 -2.821 1.00 0.00 C ATOM 1311 CD1 TYR A 90 87.019 6.379 -1.979 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.058 4.838 -3.850 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.388 6.620 -2.150 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.432 5.058 -4.005 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.100 5.938 -3.144 1.00 0.00 C ATOM 1316 OH TYR A 90 90.450 6.170 -3.305 1.00 0.00 O ATOM 0 H TYR A 90 84.357 2.394 -2.206 1.00 0.00 H new ATOM 0 HA TYR A 90 85.266 4.674 -0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.459 4.771 -3.527 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.357 6.174 -2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.474 6.888 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.538 4.174 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 90 88.894 7.332 -1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 90 88.976 4.550 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 90 90.950 5.354 -3.092 1.00 0.00 H new ATOM 1326 N CYS A 91 82.795 5.327 -0.213 1.00 0.00 N ATOM 1327 CA CYS A 91 81.414 5.452 0.253 1.00 0.00 C ATOM 1328 C CYS A 91 80.840 6.779 -0.249 1.00 0.00 C ATOM 1329 O CYS A 91 81.529 7.799 -0.190 1.00 0.00 O ATOM 1330 CB CYS A 91 81.340 5.444 1.790 1.00 0.00 C ATOM 1331 SG CYS A 91 81.912 3.916 2.590 1.00 0.00 S ATOM 0 H CYS A 91 83.417 6.060 0.128 1.00 0.00 H new ATOM 0 HA CYS A 91 80.846 4.605 -0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 91 81.932 6.276 2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.307 5.625 2.088 1.00 0.00 H new ATOM 1336 N GLN A 92 79.571 6.811 -0.663 1.00 0.00 N ATOM 1337 CA GLN A 92 78.923 8.064 -1.053 1.00 0.00 C ATOM 1338 C GLN A 92 77.636 8.241 -0.249 1.00 0.00 C ATOM 1339 O GLN A 92 76.720 7.423 -0.333 1.00 0.00 O ATOM 1340 CB GLN A 92 78.619 8.034 -2.558 1.00 0.00 C ATOM 1341 CG GLN A 92 79.593 8.905 -3.361 1.00 0.00 C ATOM 1342 CD GLN A 92 79.124 10.356 -3.373 1.00 0.00 C ATOM 1343 OE1 GLN A 92 79.251 11.042 -4.388 1.00 0.00 O ATOM 1344 NE2 GLN A 92 78.630 10.878 -2.284 1.00 0.00 N ATOM 0 H GLN A 92 78.974 5.987 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 92 79.585 8.905 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.672 7.006 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 92 77.599 8.380 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 92 80.590 8.842 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 92 79.667 8.532 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 92 78.527 10.306 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 92 78.347 11.858 -2.271 1.00 0.00 H new ATOM 1353 N SER A 93 77.550 9.332 0.506 1.00 0.00 N ATOM 1354 CA SER A 93 76.380 9.597 1.338 1.00 0.00 C ATOM 1355 C SER A 93 75.843 10.999 1.079 1.00 0.00 C ATOM 1356 O SER A 93 76.594 11.911 0.732 1.00 0.00 O ATOM 1357 CB SER A 93 76.753 9.472 2.817 1.00 0.00 C ATOM 1358 OG SER A 93 77.562 10.577 3.186 1.00 0.00 O ATOM 0 H SER A 93 78.276 10.047 0.559 1.00 0.00 H new ATOM 0 HA SER A 93 75.611 8.867 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 93 75.853 9.443 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.288 8.539 2.992 1.00 0.00 H new ATOM 0 HG SER A 93 78.478 10.271 3.350 1.00 0.00 H new ATOM 1364 N TYR A 94 74.543 11.164 1.299 1.00 0.00 N ATOM 1365 CA TYR A 94 73.892 12.454 1.103 1.00 0.00 C ATOM 1366 C TYR A 94 72.627 12.527 1.953 1.00 0.00 C ATOM 1367 O TYR A 94 71.953 11.520 2.168 1.00 0.00 O ATOM 1368 CB TYR A 94 73.575 12.691 -0.382 1.00 0.00 C ATOM 1369 CG TYR A 94 73.879 11.454 -1.197 1.00 0.00 C ATOM 1370 CD1 TYR A 94 73.045 10.334 -1.102 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.041 11.395 -1.978 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.321 9.190 -1.862 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.320 10.249 -2.731 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.451 9.153 -2.687 1.00 0.00 C ATOM 1375 OH TYR A 94 74.771 7.993 -3.362 1.00 0.00 O ATOM 0 H TYR A 94 73.919 10.420 1.613 1.00 0.00 H new ATOM 0 HA TYR A 94 74.573 13.243 1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.525 12.959 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 94 74.161 13.531 -0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.189 10.352 -0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.721 12.234 -1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.662 8.336 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.207 10.210 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 94 74.062 7.782 -4.005 1.00 0.00 H new ATOM 1482 N PHE A 102 81.448 12.519 -0.382 1.00 0.00 N ATOM 1483 CA PHE A 102 82.005 11.206 -0.690 1.00 0.00 C ATOM 1484 C PHE A 102 83.271 10.966 0.125 1.00 0.00 C ATOM 1485 O PHE A 102 84.091 11.869 0.295 1.00 0.00 O ATOM 1486 CB PHE A 102 82.339 11.119 -2.181 1.00 0.00 C ATOM 1487 CG PHE A 102 83.389 12.147 -2.526 1.00 0.00 C ATOM 1488 CD1 PHE A 102 84.747 11.828 -2.401 1.00 0.00 C ATOM 1489 CD2 PHE A 102 83.003 13.405 -3.001 1.00 0.00 C ATOM 1490 CE1 PHE A 102 85.721 12.771 -2.752 1.00 0.00 C ATOM 1491 CE2 PHE A 102 83.977 14.358 -3.324 1.00 0.00 C ATOM 1492 CZ PHE A 102 85.334 14.046 -3.182 1.00 0.00 C ATOM 0 HA PHE A 102 81.266 10.446 -0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.700 10.120 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 102 81.441 11.288 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 102 85.043 10.856 -2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 102 81.956 13.641 -3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 102 86.769 12.515 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 102 83.681 15.333 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 102 86.084 14.790 -3.405 1.00 0.00 H new ATOM 1502 N GLY A 103 83.435 9.738 0.608 1.00 0.00 N ATOM 1503 CA GLY A 103 84.613 9.401 1.398 1.00 0.00 C ATOM 1504 C GLY A 103 84.740 7.890 1.559 1.00 0.00 C ATOM 1505 O GLY A 103 84.646 7.143 0.585 1.00 0.00 O ATOM 0 H GLY A 103 82.778 8.971 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.506 9.797 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.546 9.872 2.379 1.00 0.00 H new ATOM 1509 N GLY A 104 84.977 7.451 2.791 1.00 0.00 N ATOM 1510 CA GLY A 104 85.163 6.031 3.062 1.00 0.00 C ATOM 1511 C GLY A 104 86.155 5.413 2.082 1.00 0.00 C ATOM 1512 O GLY A 104 85.932 4.316 1.572 1.00 0.00 O ATOM 0 H GLY A 104 85.044 8.053 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 104 85.522 5.896 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.206 5.515 2.990 1.00 0.00 H new ATOM 1516 N GLY A 105 87.284 6.087 1.886 1.00 0.00 N ATOM 1517 CA GLY A 105 88.328 5.568 1.010 1.00 0.00 C ATOM 1518 C GLY A 105 89.154 4.501 1.718 1.00 0.00 C ATOM 1519 O GLY A 105 89.912 4.803 2.638 1.00 0.00 O ATOM 0 H GLY A 105 87.498 6.986 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 105 87.878 5.147 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 105 88.977 6.383 0.690 1.00 0.00 H new ATOM 1523 N THR A 106 88.980 3.248 1.304 1.00 0.00 N ATOM 1524 CA THR A 106 89.731 2.136 1.880 1.00 0.00 C ATOM 1525 C THR A 106 90.293 1.236 0.785 1.00 0.00 C ATOM 1526 O THR A 106 89.595 0.892 -0.170 1.00 0.00 O ATOM 1527 CB THR A 106 88.818 1.313 2.790 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.324 2.148 3.825 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.617 0.163 3.406 1.00 0.00 C ATOM 0 H THR A 106 88.325 2.977 0.571 1.00 0.00 H new ATOM 0 HA THR A 106 90.560 2.545 2.458 1.00 0.00 H new ATOM 0 HB THR A 106 87.987 0.909 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.514 2.606 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.968 -0.425 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 106 90.009 -0.473 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.444 0.567 3.990 1.00 0.00 H new ATOM 1537 N LYS A 107 91.562 0.868 0.932 1.00 0.00 N ATOM 1538 CA LYS A 107 92.223 -0.002 -0.035 1.00 0.00 C ATOM 1539 C LYS A 107 92.103 -1.460 0.398 1.00 0.00 C ATOM 1540 O LYS A 107 92.535 -1.831 1.489 1.00 0.00 O ATOM 1541 CB LYS A 107 93.701 0.383 -0.150 1.00 0.00 C ATOM 1542 CG LYS A 107 93.872 1.659 -0.980 1.00 0.00 C ATOM 1543 CD LYS A 107 93.463 2.886 -0.162 1.00 0.00 C ATOM 1544 CE LYS A 107 93.852 4.156 -0.921 1.00 0.00 C ATOM 1545 NZ LYS A 107 93.494 5.350 -0.104 1.00 0.00 N ATOM 0 H LYS A 107 92.153 1.158 1.711 1.00 0.00 H new ATOM 0 HA LYS A 107 91.741 0.118 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.120 0.533 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.258 -0.433 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 107 94.910 1.756 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.265 1.597 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 107 92.389 2.873 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 107 93.952 2.867 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 107 94.921 4.154 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 107 93.337 4.191 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.758 6.214 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.470 5.353 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 94.004 5.317 0.802 1.00 0.00 H new ATOM 1559 N LEU A 108 91.557 -2.288 -0.489 1.00 0.00 N ATOM 1560 CA LEU A 108 91.414 -3.719 -0.237 1.00 0.00 C ATOM 1561 C LEU A 108 92.299 -4.507 -1.197 1.00 0.00 C ATOM 1562 O LEU A 108 92.258 -4.289 -2.407 1.00 0.00 O ATOM 1563 CB LEU A 108 89.953 -4.134 -0.434 1.00 0.00 C ATOM 1564 CG LEU A 108 89.791 -5.653 -0.298 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.365 -6.137 1.037 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.307 -6.017 -0.376 1.00 0.00 C ATOM 0 H LEU A 108 91.203 -1.988 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 108 91.718 -3.931 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.326 -3.630 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.610 -3.815 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 108 90.334 -6.137 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 108 90.241 -7.217 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.425 -5.888 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.838 -5.650 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.192 -7.097 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.768 -5.521 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 108 87.903 -5.693 -1.335 1.00 0.00 H new ATOM 1578 N THR A 109 93.067 -5.449 -0.655 1.00 0.00 N ATOM 1579 CA THR A 109 93.946 -6.289 -1.462 1.00 0.00 C ATOM 1580 C THR A 109 93.645 -7.766 -1.227 1.00 0.00 C ATOM 1581 O THR A 109 93.599 -8.224 -0.087 1.00 0.00 O ATOM 1582 CB THR A 109 95.403 -6.002 -1.095 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.682 -4.629 -1.325 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.326 -6.862 -1.961 1.00 0.00 C ATOM 0 H THR A 109 93.098 -5.650 0.345 1.00 0.00 H new ATOM 0 HA THR A 109 93.776 -6.061 -2.514 1.00 0.00 H new ATOM 0 HB THR A 109 95.569 -6.238 -0.044 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.614 -4.441 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.364 -6.658 -1.700 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.109 -7.916 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.163 -6.625 -3.012 1.00 0.00 H new ATOM 1592 N VAL A 110 93.448 -8.513 -2.309 1.00 0.00 N ATOM 1593 CA VAL A 110 93.179 -9.943 -2.203 1.00 0.00 C ATOM 1594 C VAL A 110 94.485 -10.732 -2.173 1.00 0.00 C ATOM 1595 O VAL A 110 94.578 -11.831 -2.718 1.00 0.00 O ATOM 1596 CB VAL A 110 92.318 -10.393 -3.387 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.974 -11.886 -3.290 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.034 -9.560 -3.399 1.00 0.00 C ATOM 0 H VAL A 110 93.469 -8.155 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 110 92.642 -10.133 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 110 92.877 -10.243 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.362 -12.175 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.893 -12.472 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.422 -12.073 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.408 -9.868 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.492 -9.714 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.286 -8.505 -3.503 1.00 0.00 H new ATOM 1608 N LEU A 111 95.514 -10.153 -1.564 1.00 0.00 N ATOM 1609 CA LEU A 111 96.810 -10.818 -1.482 1.00 0.00 C ATOM 1610 C LEU A 111 97.170 -11.477 -2.810 1.00 0.00 C ATOM 1611 O LEU A 111 97.158 -12.696 -2.868 1.00 0.00 O ATOM 1612 CB LEU A 111 96.778 -11.879 -0.378 1.00 0.00 C ATOM 1613 CG LEU A 111 96.821 -11.210 1.003 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.137 -12.103 2.041 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.270 -10.973 1.438 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.425 -10.751 -3.757 1.00 0.00 O ATOM 0 H LEU A 111 95.478 -9.234 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 111 97.566 -10.067 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.875 -12.482 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.626 -12.555 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 111 96.300 -10.255 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.173 -11.619 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.098 -12.264 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.652 -13.062 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.282 -10.498 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.795 -11.927 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.766 -10.325 0.715 1.00 0.00 H new