USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 9 THR OG1 : rot -166:sc= -1.43! USER MOD Set 1.2: A 11 ASN : amide:sc= -1.99! C(o=-3.4!,f=-6.8!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -11.3! C(o=-11!,f=-14!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 156:sc= -3.02! (180deg=-6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 29 THR OG1 : rot -39:sc= 0.113 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 31 TYR OH : rot 150:sc= -1.4 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 38 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 43 ASN : amide:sc= -0.658 K(o=-0.66,f=-2.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 33:sc= 0.156 USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= -6.93! (180deg=-7.52!) USER MOD Single : A 68 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1.8!) USER MOD Single : A 70 ASN : amide:sc= -3.22! K(o=-3.2!,f=-2) USER MOD Single : A 72 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.21) USER MOD Single : A 77 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.26) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 81 THR OG1 : rot 130:sc= -0.465 USER MOD Single : A 84 LYS NZ :NH3+ -120:sc= -0.116 (180deg=-0.665) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 4.165 2.371 -1.725 1.00 1.00 N ATOM 21 CA GLU A 2 4.554 3.780 -1.908 1.00 1.00 C ATOM 22 C GLU A 2 5.189 4.326 -0.646 1.00 1.00 C ATOM 23 O GLU A 2 4.658 4.144 0.440 1.00 1.00 O ATOM 24 CB GLU A 2 3.325 4.626 -2.265 1.00 1.00 C ATOM 25 CG GLU A 2 3.752 6.079 -2.530 1.00 1.00 C ATOM 26 CD GLU A 2 2.567 6.896 -3.041 1.00 1.00 C ATOM 27 OE1 GLU A 2 1.584 6.294 -3.441 1.00 1.00 O ATOM 28 OE2 GLU A 2 2.662 8.113 -3.024 1.00 1.00 O ATOM 0 HA GLU A 2 5.278 3.830 -2.721 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.833 4.215 -3.147 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.600 4.593 -1.451 1.00 1.00 H new ATOM 0 HG2 GLU A 2 4.141 6.524 -1.614 1.00 1.00 H new ATOM 0 HG3 GLU A 2 4.559 6.100 -3.262 1.00 1.00 H new ATOM 35 N ILE A 3 6.338 4.976 -0.794 1.00 1.00 N ATOM 36 CA ILE A 3 7.045 5.523 0.361 1.00 1.00 C ATOM 37 C ILE A 3 6.164 6.501 1.150 1.00 1.00 C ATOM 38 O ILE A 3 5.703 7.517 0.637 1.00 1.00 O ATOM 39 CB ILE A 3 8.324 6.236 -0.103 1.00 1.00 C ATOM 40 CG1 ILE A 3 7.994 7.135 -1.303 1.00 1.00 C ATOM 41 CG2 ILE A 3 9.382 5.204 -0.516 1.00 1.00 C ATOM 42 CD1 ILE A 3 9.193 8.014 -1.621 1.00 1.00 C ATOM 0 H ILE A 3 6.797 5.137 -1.691 1.00 1.00 H new ATOM 0 HA ILE A 3 7.302 4.694 1.021 1.00 1.00 H new ATOM 0 HB ILE A 3 8.716 6.839 0.716 1.00 1.00 H new ATOM 0 HG12 ILE A 3 7.737 6.525 -2.169 1.00 1.00 H new ATOM 0 HG13 ILE A 3 7.125 7.754 -1.080 1.00 1.00 H new ATOM 0 HG21 ILE A 3 10.285 5.720 -0.843 1.00 1.00 H new ATOM 0 HG22 ILE A 3 9.618 4.564 0.334 1.00 1.00 H new ATOM 0 HG23 ILE A 3 8.996 4.594 -1.333 1.00 1.00 H new ATOM 0 HD11 ILE A 3 8.960 8.653 -2.473 1.00 1.00 H new ATOM 0 HD12 ILE A 3 9.429 8.634 -0.756 1.00 1.00 H new ATOM 0 HD13 ILE A 3 10.051 7.386 -1.862 1.00 1.00 H new ATOM 54 N ILE A 4 5.931 6.176 2.413 1.00 1.00 N ATOM 55 CA ILE A 4 5.108 7.035 3.277 1.00 1.00 C ATOM 56 C ILE A 4 5.927 8.243 3.724 1.00 1.00 C ATOM 57 O ILE A 4 5.463 9.384 3.676 1.00 1.00 O ATOM 58 CB ILE A 4 4.593 6.225 4.505 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.306 5.429 4.141 1.00 1.00 C ATOM 60 CG2 ILE A 4 4.278 7.154 5.706 1.00 1.00 C ATOM 61 CD1 ILE A 4 3.461 4.672 2.817 1.00 1.00 C ATOM 0 H ILE A 4 6.291 5.336 2.866 1.00 1.00 H new ATOM 0 HA ILE A 4 4.241 7.389 2.719 1.00 1.00 H new ATOM 0 HB ILE A 4 5.388 5.535 4.786 1.00 1.00 H new ATOM 0 HG12 ILE A 4 3.077 4.723 4.939 1.00 1.00 H new ATOM 0 HG13 ILE A 4 2.462 6.115 4.071 1.00 1.00 H new ATOM 0 HG21 ILE A 4 3.921 6.556 6.545 1.00 1.00 H new ATOM 0 HG22 ILE A 4 5.182 7.688 6.000 1.00 1.00 H new ATOM 0 HG23 ILE A 4 3.509 7.872 5.419 1.00 1.00 H new ATOM 0 HD11 ILE A 4 2.541 4.129 2.598 1.00 1.00 H new ATOM 0 HD12 ILE A 4 3.663 5.381 2.014 1.00 1.00 H new ATOM 0 HD13 ILE A 4 4.289 3.967 2.896 1.00 1.00 H new ATOM 73 N ALA A 5 7.130 7.969 4.202 1.00 1.00 N ATOM 74 CA ALA A 5 7.998 9.013 4.712 1.00 1.00 C ATOM 75 C ALA A 5 9.422 8.513 4.815 1.00 1.00 C ATOM 76 O ALA A 5 9.715 7.359 4.495 1.00 1.00 O ATOM 77 CB ALA A 5 7.496 9.429 6.096 1.00 1.00 C ATOM 0 H ALA A 5 7.526 7.030 4.247 1.00 1.00 H new ATOM 0 HA ALA A 5 7.982 9.865 4.032 1.00 1.00 H new ATOM 0 HB1 ALA A 5 8.138 10.214 6.495 1.00 1.00 H new ATOM 0 HB2 ALA A 5 6.475 9.801 6.016 1.00 1.00 H new ATOM 0 HB3 ALA A 5 7.517 8.568 6.765 1.00 1.00 H new ATOM 83 N ILE A 6 10.303 9.401 5.256 1.00 1.00 N ATOM 84 CA ILE A 6 11.719 9.087 5.404 1.00 1.00 C ATOM 85 C ILE A 6 12.221 9.520 6.785 1.00 1.00 C ATOM 86 O ILE A 6 12.080 10.676 7.183 1.00 1.00 O ATOM 87 CB ILE A 6 12.510 9.796 4.286 1.00 1.00 C ATOM 88 CG1 ILE A 6 12.046 11.258 4.154 1.00 1.00 C ATOM 89 CG2 ILE A 6 12.288 9.072 2.950 1.00 1.00 C ATOM 90 CD1 ILE A 6 12.973 12.012 3.194 1.00 1.00 C ATOM 0 H ILE A 6 10.058 10.355 5.520 1.00 1.00 H new ATOM 0 HA ILE A 6 11.866 8.010 5.320 1.00 1.00 H new ATOM 0 HB ILE A 6 13.570 9.776 4.541 1.00 1.00 H new ATOM 0 HG12 ILE A 6 11.021 11.292 3.786 1.00 1.00 H new ATOM 0 HG13 ILE A 6 12.050 11.740 5.132 1.00 1.00 H new ATOM 0 HG21 ILE A 6 12.849 9.578 2.164 1.00 1.00 H new ATOM 0 HG22 ILE A 6 12.630 8.040 3.034 1.00 1.00 H new ATOM 0 HG23 ILE A 6 11.227 9.083 2.702 1.00 1.00 H new ATOM 0 HD11 ILE A 6 12.640 13.046 3.104 1.00 1.00 H new ATOM 0 HD12 ILE A 6 13.992 11.991 3.580 1.00 1.00 H new ATOM 0 HD13 ILE A 6 12.947 11.536 2.214 1.00 1.00 H new ATOM 102 N SER A 7 12.814 8.577 7.513 1.00 1.00 N ATOM 103 CA SER A 7 13.346 8.866 8.841 1.00 1.00 C ATOM 104 C SER A 7 14.791 9.337 8.715 1.00 1.00 C ATOM 105 O SER A 7 15.680 8.554 8.379 1.00 1.00 O ATOM 106 CB SER A 7 13.282 7.605 9.706 1.00 1.00 C ATOM 107 OG SER A 7 13.552 7.954 11.057 1.00 1.00 O ATOM 0 H SER A 7 12.938 7.612 7.208 1.00 1.00 H new ATOM 0 HA SER A 7 12.751 9.650 9.311 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.298 7.144 9.626 1.00 1.00 H new ATOM 0 HB3 SER A 7 14.007 6.871 9.355 1.00 1.00 H new ATOM 0 HG SER A 7 13.511 7.151 11.617 1.00 1.00 H new ATOM 113 N GLU A 8 15.019 10.621 8.990 1.00 1.00 N ATOM 114 CA GLU A 8 16.362 11.195 8.912 1.00 1.00 C ATOM 115 C GLU A 8 17.079 10.992 10.232 1.00 1.00 C ATOM 116 O GLU A 8 16.868 11.738 11.188 1.00 1.00 O ATOM 117 CB GLU A 8 16.271 12.690 8.605 1.00 1.00 C ATOM 118 CG GLU A 8 15.736 12.884 7.187 1.00 1.00 C ATOM 119 CD GLU A 8 15.539 14.372 6.900 1.00 1.00 C ATOM 120 OE1 GLU A 8 15.851 15.173 7.768 1.00 1.00 O ATOM 121 OE2 GLU A 8 15.080 14.687 5.816 1.00 1.00 O ATOM 0 H GLU A 8 14.293 11.282 9.268 1.00 1.00 H new ATOM 0 HA GLU A 8 16.917 10.698 8.116 1.00 1.00 H new ATOM 0 HB2 GLU A 8 15.615 13.181 9.324 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.253 13.153 8.702 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.432 12.455 6.466 1.00 1.00 H new ATOM 0 HG3 GLU A 8 14.790 12.355 7.071 1.00 1.00 H new ATOM 128 N THR A 9 17.930 9.974 10.272 1.00 1.00 N ATOM 129 CA THR A 9 18.692 9.651 11.479 1.00 1.00 C ATOM 130 C THR A 9 19.962 10.509 11.533 1.00 1.00 C ATOM 131 O THR A 9 20.415 11.013 10.505 1.00 1.00 O ATOM 132 CB THR A 9 19.070 8.136 11.502 1.00 1.00 C ATOM 133 OG1 THR A 9 20.432 7.975 11.877 1.00 1.00 O ATOM 134 CG2 THR A 9 18.869 7.508 10.121 1.00 1.00 C ATOM 0 H THR A 9 18.112 9.355 9.482 1.00 1.00 H new ATOM 0 HA THR A 9 18.074 9.865 12.351 1.00 1.00 H new ATOM 0 HB THR A 9 18.422 7.641 12.226 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.720 7.060 11.678 1.00 1.00 H new ATOM 0 HG21 THR A 9 19.138 6.452 10.159 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.824 7.606 9.825 1.00 1.00 H new ATOM 0 HG23 THR A 9 19.501 8.018 9.394 1.00 1.00 H new ATOM 142 N PRO A 10 20.551 10.666 12.697 1.00 1.00 N ATOM 143 CA PRO A 10 21.812 11.457 12.864 1.00 1.00 C ATOM 144 C PRO A 10 22.999 10.803 12.135 1.00 1.00 C ATOM 145 O PRO A 10 24.146 10.931 12.563 1.00 1.00 O ATOM 146 CB PRO A 10 22.028 11.485 14.398 1.00 1.00 C ATOM 147 CG PRO A 10 21.286 10.284 14.914 1.00 1.00 C ATOM 148 CD PRO A 10 20.075 10.127 13.988 1.00 1.00 C ATOM 0 HA PRO A 10 21.738 12.455 12.432 1.00 1.00 H new ATOM 0 HB2 PRO A 10 23.087 11.433 14.649 1.00 1.00 H new ATOM 0 HB3 PRO A 10 21.642 12.406 14.835 1.00 1.00 H new ATOM 0 HG2 PRO A 10 21.915 9.394 14.893 1.00 1.00 H new ATOM 0 HG3 PRO A 10 20.974 10.429 15.948 1.00 1.00 H new ATOM 0 HD2 PRO A 10 19.771 9.084 13.899 1.00 1.00 H new ATOM 0 HD3 PRO A 10 19.212 10.680 14.359 1.00 1.00 H new ATOM 156 N ASN A 11 22.723 10.114 11.024 1.00 1.00 N ATOM 157 CA ASN A 11 23.777 9.466 10.241 1.00 1.00 C ATOM 158 C ASN A 11 24.243 10.400 9.132 1.00 1.00 C ATOM 159 O ASN A 11 23.946 11.596 9.156 1.00 1.00 O ATOM 160 CB ASN A 11 23.237 8.174 9.632 1.00 1.00 C ATOM 161 CG ASN A 11 22.757 7.244 10.740 1.00 1.00 C ATOM 162 OD1 ASN A 11 21.847 6.444 10.530 1.00 1.00 O ATOM 163 ND2 ASN A 11 23.315 7.309 11.920 1.00 1.00 N ATOM 0 H ASN A 11 21.783 9.991 10.648 1.00 1.00 H new ATOM 0 HA ASN A 11 24.620 9.236 10.892 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.416 8.397 8.951 1.00 1.00 H new ATOM 0 HB3 ASN A 11 24.014 7.685 9.045 1.00 1.00 H new ATOM 0 HD21 ASN A 11 22.996 6.695 12.670 1.00 1.00 H new ATOM 0 HD22 ASN A 11 24.070 7.973 12.091 1.00 1.00 H new ATOM 170 N HIS A 12 24.982 9.853 8.168 1.00 1.00 N ATOM 171 CA HIS A 12 25.504 10.640 7.045 1.00 1.00 C ATOM 172 C HIS A 12 24.774 10.294 5.748 1.00 1.00 C ATOM 173 O HIS A 12 24.227 11.172 5.079 1.00 1.00 O ATOM 174 CB HIS A 12 26.995 10.345 6.882 1.00 1.00 C ATOM 175 CG HIS A 12 27.719 10.734 8.142 1.00 1.00 C ATOM 176 ND1 HIS A 12 27.945 12.058 8.480 1.00 1.00 N ATOM 177 CD2 HIS A 12 28.265 9.989 9.156 1.00 1.00 C ATOM 178 CE1 HIS A 12 28.604 12.070 9.654 1.00 1.00 C ATOM 179 NE2 HIS A 12 28.825 10.834 10.110 1.00 1.00 N ATOM 0 H HIS A 12 25.235 8.865 8.140 1.00 1.00 H new ATOM 0 HA HIS A 12 25.347 11.698 7.255 1.00 1.00 H new ATOM 0 HB2 HIS A 12 27.147 9.286 6.673 1.00 1.00 H new ATOM 0 HB3 HIS A 12 27.396 10.898 6.033 1.00 1.00 H new ATOM 0 HD2 HIS A 12 28.261 8.910 9.207 1.00 1.00 H new ATOM 0 HE1 HIS A 12 28.916 12.969 10.165 1.00 1.00 H new ATOM 0 HE2 HIS A 12 29.301 10.567 10.971 1.00 1.00 H new ATOM 188 N ASN A 13 24.789 9.003 5.393 1.00 1.00 N ATOM 189 CA ASN A 13 24.144 8.522 4.160 1.00 1.00 C ATOM 190 C ASN A 13 23.223 7.339 4.440 1.00 1.00 C ATOM 191 O ASN A 13 22.745 6.690 3.510 1.00 1.00 O ATOM 192 CB ASN A 13 25.211 8.106 3.149 1.00 1.00 C ATOM 193 CG ASN A 13 26.015 9.330 2.726 1.00 1.00 C ATOM 194 OD1 ASN A 13 26.233 10.239 3.523 1.00 1.00 O ATOM 195 ND2 ASN A 13 26.470 9.410 1.511 1.00 1.00 N ATOM 0 H ASN A 13 25.240 8.271 5.941 1.00 1.00 H new ATOM 0 HA ASN A 13 23.543 9.336 3.755 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.871 7.358 3.588 1.00 1.00 H new ATOM 0 HB3 ASN A 13 24.743 7.646 2.278 1.00 1.00 H new ATOM 0 HD21 ASN A 13 27.007 10.227 1.220 1.00 1.00 H new ATOM 0 HD22 ASN A 13 26.290 8.656 0.848 1.00 1.00 H new ATOM 202 N THR A 14 22.967 7.061 5.723 1.00 1.00 N ATOM 203 CA THR A 14 22.092 5.948 6.120 1.00 1.00 C ATOM 204 C THR A 14 20.786 6.496 6.681 1.00 1.00 C ATOM 205 O THR A 14 20.791 7.374 7.543 1.00 1.00 O ATOM 206 CB THR A 14 22.787 5.097 7.186 1.00 1.00 C ATOM 207 OG1 THR A 14 24.030 4.632 6.678 1.00 1.00 O ATOM 208 CG2 THR A 14 21.905 3.899 7.552 1.00 1.00 C ATOM 0 H THR A 14 23.352 7.590 6.505 1.00 1.00 H new ATOM 0 HA THR A 14 21.881 5.331 5.246 1.00 1.00 H new ATOM 0 HB THR A 14 22.956 5.702 8.077 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.479 4.088 7.359 1.00 1.00 H new ATOM 0 HG21 THR A 14 22.405 3.297 8.311 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.951 4.255 7.941 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.730 3.291 6.664 1.00 1.00 H new ATOM 216 N MET A 15 19.669 5.970 6.191 1.00 1.00 N ATOM 217 CA MET A 15 18.348 6.403 6.641 1.00 1.00 C ATOM 218 C MET A 15 17.361 5.253 6.514 1.00 1.00 C ATOM 219 O MET A 15 17.536 4.361 5.684 1.00 1.00 O ATOM 220 CB MET A 15 17.874 7.596 5.801 1.00 1.00 C ATOM 221 CG MET A 15 18.135 7.318 4.316 1.00 1.00 C ATOM 222 SD MET A 15 17.272 8.552 3.311 1.00 1.00 S ATOM 223 CE MET A 15 18.098 10.025 3.969 1.00 1.00 C ATOM 0 H MET A 15 19.651 5.240 5.479 1.00 1.00 H new ATOM 0 HA MET A 15 18.408 6.709 7.686 1.00 1.00 H new ATOM 0 HB2 MET A 15 16.811 7.771 5.967 1.00 1.00 H new ATOM 0 HB3 MET A 15 18.398 8.501 6.109 1.00 1.00 H new ATOM 0 HG2 MET A 15 19.205 7.351 4.111 1.00 1.00 H new ATOM 0 HG3 MET A 15 17.791 6.317 4.056 1.00 1.00 H new ATOM 0 HE1 MET A 15 18.049 10.829 3.234 1.00 1.00 H new ATOM 0 HE2 MET A 15 17.602 10.341 4.887 1.00 1.00 H new ATOM 0 HE3 MET A 15 19.141 9.792 4.182 1.00 1.00 H new ATOM 233 N LYS A 16 16.319 5.287 7.347 1.00 1.00 N ATOM 234 CA LYS A 16 15.284 4.247 7.335 1.00 1.00 C ATOM 235 C LYS A 16 14.045 4.767 6.623 1.00 1.00 C ATOM 236 O LYS A 16 13.603 5.886 6.880 1.00 1.00 O ATOM 237 CB LYS A 16 14.922 3.838 8.786 1.00 1.00 C ATOM 238 CG LYS A 16 14.393 2.398 8.819 1.00 1.00 C ATOM 239 CD LYS A 16 14.189 1.967 10.267 1.00 1.00 C ATOM 240 CE LYS A 16 13.745 0.509 10.289 1.00 1.00 C ATOM 241 NZ LYS A 16 13.620 0.049 11.692 1.00 1.00 N ATOM 0 H LYS A 16 16.168 6.022 8.038 1.00 1.00 H new ATOM 0 HA LYS A 16 15.665 3.373 6.807 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.801 3.924 9.425 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.170 4.518 9.185 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.452 2.332 8.272 1.00 1.00 H new ATOM 0 HG3 LYS A 16 15.097 1.729 8.324 1.00 1.00 H new ATOM 0 HD2 LYS A 16 15.114 2.088 10.830 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.439 2.597 10.746 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.791 0.401 9.774 1.00 1.00 H new ATOM 0 HE3 LYS A 16 14.467 -0.110 9.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 13.317 -0.946 11.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 14.540 0.137 12.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 12.915 0.632 12.187 1.00 1.00 H new ATOM 255 N VAL A 17 13.481 3.947 5.733 1.00 1.00 N ATOM 256 CA VAL A 17 12.279 4.332 4.992 1.00 1.00 C ATOM 257 C VAL A 17 11.095 3.517 5.485 1.00 1.00 C ATOM 258 O VAL A 17 11.024 2.313 5.248 1.00 1.00 O ATOM 259 CB VAL A 17 12.495 4.076 3.502 1.00 1.00 C ATOM 260 CG1 VAL A 17 11.285 4.556 2.701 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.729 4.836 3.034 1.00 1.00 C ATOM 0 H VAL A 17 13.836 3.017 5.509 1.00 1.00 H new ATOM 0 HA VAL A 17 12.078 5.391 5.151 1.00 1.00 H new ATOM 0 HB VAL A 17 12.629 3.006 3.345 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.453 4.367 1.641 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.395 4.019 3.029 1.00 1.00 H new ATOM 0 HG13 VAL A 17 11.143 5.625 2.861 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.886 4.655 1.971 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.585 5.903 3.203 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.600 4.494 3.593 1.00 1.00 H new ATOM 271 N SER A 18 10.168 4.186 6.172 1.00 1.00 N ATOM 272 CA SER A 18 8.970 3.535 6.701 1.00 1.00 C ATOM 273 C SER A 18 7.850 3.607 5.662 1.00 1.00 C ATOM 274 O SER A 18 7.627 4.653 5.049 1.00 1.00 O ATOM 275 CB SER A 18 8.551 4.231 8.000 1.00 1.00 C ATOM 276 OG SER A 18 9.702 4.446 8.803 1.00 1.00 O ATOM 0 H SER A 18 10.225 5.184 6.376 1.00 1.00 H new ATOM 0 HA SER A 18 9.177 2.486 6.915 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.065 5.181 7.778 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.826 3.620 8.537 1.00 1.00 H new ATOM 0 HG SER A 18 9.441 4.893 9.635 1.00 1.00 H new ATOM 282 N LEU A 19 7.169 2.484 5.455 1.00 1.00 N ATOM 283 CA LEU A 19 6.099 2.394 4.473 1.00 1.00 C ATOM 284 C LEU A 19 5.305 1.111 4.668 1.00 1.00 C ATOM 285 O LEU A 19 5.831 0.113 5.146 1.00 1.00 O ATOM 286 CB LEU A 19 6.677 2.442 3.044 1.00 1.00 C ATOM 287 CG LEU A 19 7.550 1.201 2.730 1.00 1.00 C ATOM 288 CD1 LEU A 19 7.985 1.259 1.256 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.788 1.154 3.643 1.00 1.00 C ATOM 0 H LEU A 19 7.344 1.616 5.962 1.00 1.00 H new ATOM 0 HA LEU A 19 5.432 3.245 4.613 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.861 2.503 2.324 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.275 3.346 2.925 1.00 1.00 H new ATOM 0 HG LEU A 19 6.965 0.299 2.911 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.600 0.390 1.024 1.00 1.00 H new ATOM 0 HD12 LEU A 19 7.103 1.260 0.616 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.561 2.168 1.082 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.384 0.274 3.403 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.388 2.051 3.490 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.470 1.104 4.684 1.00 1.00 H new ATOM 301 N SER A 20 4.032 1.143 4.288 1.00 1.00 N ATOM 302 CA SER A 20 3.167 -0.026 4.422 1.00 1.00 C ATOM 303 C SER A 20 3.332 -0.964 3.234 1.00 1.00 C ATOM 304 O SER A 20 2.555 -0.912 2.279 1.00 1.00 O ATOM 305 CB SER A 20 1.715 0.420 4.495 1.00 1.00 C ATOM 306 OG SER A 20 1.556 1.313 5.587 1.00 1.00 O ATOM 0 H SER A 20 3.577 1.962 3.886 1.00 1.00 H new ATOM 0 HA SER A 20 3.448 -0.554 5.333 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.425 0.909 3.565 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.062 -0.444 4.618 1.00 1.00 H new ATOM 0 HG SER A 20 0.622 1.605 5.637 1.00 1.00 H new ATOM 312 N GLU A 21 4.345 -1.830 3.292 1.00 1.00 N ATOM 313 CA GLU A 21 4.596 -2.792 2.213 1.00 1.00 C ATOM 314 C GLU A 21 3.899 -4.128 2.527 1.00 1.00 C ATOM 315 O GLU A 21 3.646 -4.441 3.691 1.00 1.00 O ATOM 316 CB GLU A 21 6.128 -3.009 2.048 1.00 1.00 C ATOM 317 CG GLU A 21 6.682 -2.089 0.946 1.00 1.00 C ATOM 318 CD GLU A 21 8.204 -2.132 0.938 1.00 1.00 C ATOM 319 OE1 GLU A 21 8.789 -2.018 2.003 1.00 1.00 O ATOM 320 OE2 GLU A 21 8.765 -2.281 -0.136 1.00 1.00 O ATOM 0 H GLU A 21 5.003 -1.887 4.069 1.00 1.00 H new ATOM 0 HA GLU A 21 4.192 -2.398 1.280 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.635 -2.804 2.991 1.00 1.00 H new ATOM 0 HB3 GLU A 21 6.330 -4.050 1.797 1.00 1.00 H new ATOM 0 HG2 GLU A 21 6.297 -2.401 -0.025 1.00 1.00 H new ATOM 0 HG3 GLU A 21 6.341 -1.067 1.111 1.00 1.00 H new ATOM 408 N SER A 27 10.426 -11.677 3.269 1.00 1.00 N ATOM 409 CA SER A 27 11.697 -12.386 3.351 1.00 1.00 C ATOM 410 C SER A 27 12.842 -11.385 3.359 1.00 1.00 C ATOM 411 O SER A 27 12.721 -10.288 2.812 1.00 1.00 O ATOM 412 CB SER A 27 11.847 -13.330 2.157 1.00 1.00 C ATOM 413 OG SER A 27 13.146 -13.903 2.176 1.00 1.00 O ATOM 0 HA SER A 27 11.720 -12.970 4.271 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.090 -14.113 2.200 1.00 1.00 H new ATOM 0 HB3 SER A 27 11.690 -12.786 1.226 1.00 1.00 H new ATOM 0 HG SER A 27 13.247 -14.510 1.414 1.00 1.00 H new ATOM 419 N PHE A 28 13.956 -11.773 3.975 1.00 1.00 N ATOM 420 CA PHE A 28 15.136 -10.906 4.052 1.00 1.00 C ATOM 421 C PHE A 28 16.180 -11.348 3.033 1.00 1.00 C ATOM 422 O PHE A 28 16.529 -12.525 2.956 1.00 1.00 O ATOM 423 CB PHE A 28 15.738 -10.976 5.461 1.00 1.00 C ATOM 424 CG PHE A 28 16.174 -12.399 5.766 1.00 1.00 C ATOM 425 CD1 PHE A 28 17.475 -12.819 5.449 1.00 1.00 C ATOM 426 CD2 PHE A 28 15.278 -13.296 6.364 1.00 1.00 C ATOM 427 CE1 PHE A 28 17.876 -14.133 5.729 1.00 1.00 C ATOM 428 CE2 PHE A 28 15.682 -14.610 6.643 1.00 1.00 C ATOM 429 CZ PHE A 28 16.980 -15.026 6.326 1.00 1.00 C ATOM 0 H PHE A 28 14.069 -12.680 4.428 1.00 1.00 H new ATOM 0 HA PHE A 28 14.835 -9.882 3.834 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.591 -10.301 5.536 1.00 1.00 H new ATOM 0 HB3 PHE A 28 15.004 -10.645 6.196 1.00 1.00 H new ATOM 0 HD1 PHE A 28 18.168 -12.130 4.989 1.00 1.00 H new ATOM 0 HD2 PHE A 28 14.276 -12.975 6.610 1.00 1.00 H new ATOM 0 HE1 PHE A 28 18.877 -14.456 5.484 1.00 1.00 H new ATOM 0 HE2 PHE A 28 14.991 -15.301 7.103 1.00 1.00 H new ATOM 0 HZ PHE A 28 17.290 -16.038 6.543 1.00 1.00 H new ATOM 439 N THR A 29 16.673 -10.392 2.252 1.00 1.00 N ATOM 440 CA THR A 29 17.674 -10.684 1.234 1.00 1.00 C ATOM 441 C THR A 29 18.297 -9.390 0.735 1.00 1.00 C ATOM 442 O THR A 29 17.596 -8.409 0.484 1.00 1.00 O ATOM 443 CB THR A 29 17.033 -11.434 0.058 1.00 1.00 C ATOM 444 OG1 THR A 29 16.283 -12.534 0.551 1.00 1.00 O ATOM 445 CG2 THR A 29 18.123 -11.941 -0.890 1.00 1.00 C ATOM 0 H THR A 29 16.396 -9.412 2.305 1.00 1.00 H new ATOM 0 HA THR A 29 18.448 -11.311 1.675 1.00 1.00 H new ATOM 0 HB THR A 29 16.373 -10.757 -0.484 1.00 1.00 H new ATOM 0 HG1 THR A 29 16.763 -12.948 1.298 1.00 1.00 H new ATOM 0 HG21 THR A 29 17.663 -12.473 -1.723 1.00 1.00 H new ATOM 0 HG22 THR A 29 18.696 -11.096 -1.271 1.00 1.00 H new ATOM 0 HG23 THR A 29 18.788 -12.616 -0.352 1.00 1.00 H new ATOM 453 N THR A 30 19.619 -9.398 0.590 1.00 1.00 N ATOM 454 CA THR A 30 20.352 -8.223 0.113 1.00 1.00 C ATOM 455 C THR A 30 20.618 -8.334 -1.386 1.00 1.00 C ATOM 456 O THR A 30 21.331 -9.227 -1.837 1.00 1.00 O ATOM 457 CB THR A 30 21.690 -8.087 0.867 1.00 1.00 C ATOM 458 OG1 THR A 30 22.650 -7.449 0.036 1.00 1.00 O ATOM 459 CG2 THR A 30 22.200 -9.468 1.258 1.00 1.00 C ATOM 0 H THR A 30 20.208 -10.205 0.796 1.00 1.00 H new ATOM 0 HA THR A 30 19.743 -7.339 0.301 1.00 1.00 H new ATOM 0 HB THR A 30 21.533 -7.488 1.764 1.00 1.00 H new ATOM 0 HG1 THR A 30 23.497 -7.364 0.521 1.00 1.00 H new ATOM 0 HG21 THR A 30 23.146 -9.369 1.791 1.00 1.00 H new ATOM 0 HG22 THR A 30 21.470 -9.956 1.903 1.00 1.00 H new ATOM 0 HG23 THR A 30 22.350 -10.068 0.360 1.00 1.00 H new ATOM 467 N TYR A 31 20.041 -7.405 -2.147 1.00 1.00 N ATOM 468 CA TYR A 31 20.210 -7.367 -3.603 1.00 1.00 C ATOM 469 C TYR A 31 20.334 -5.927 -4.091 1.00 1.00 C ATOM 470 O TYR A 31 19.921 -4.988 -3.410 1.00 1.00 O ATOM 471 CB TYR A 31 19.018 -8.063 -4.275 1.00 1.00 C ATOM 472 CG TYR A 31 17.732 -7.591 -3.626 1.00 1.00 C ATOM 473 CD1 TYR A 31 17.216 -6.321 -3.926 1.00 1.00 C ATOM 474 CD2 TYR A 31 17.052 -8.423 -2.721 1.00 1.00 C ATOM 475 CE1 TYR A 31 16.027 -5.891 -3.330 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.864 -7.986 -2.125 1.00 1.00 C ATOM 477 CZ TYR A 31 15.352 -6.723 -2.432 1.00 1.00 C ATOM 478 OH TYR A 31 14.177 -6.300 -1.856 1.00 1.00 O ATOM 0 H TYR A 31 19.447 -6.662 -1.778 1.00 1.00 H new ATOM 0 HA TYR A 31 21.127 -7.893 -3.869 1.00 1.00 H new ATOM 0 HB2 TYR A 31 19.005 -7.838 -5.341 1.00 1.00 H new ATOM 0 HB3 TYR A 31 19.112 -9.145 -4.179 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.738 -5.676 -4.617 1.00 1.00 H new ATOM 0 HD2 TYR A 31 17.446 -9.400 -2.485 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.629 -4.914 -3.564 1.00 1.00 H new ATOM 0 HE2 TYR A 31 15.343 -8.625 -1.428 1.00 1.00 H new ATOM 0 HH TYR A 31 13.606 -7.075 -1.670 1.00 1.00 H new ATOM 488 N THR A 32 20.878 -5.769 -5.292 1.00 1.00 N ATOM 489 CA THR A 32 21.027 -4.450 -5.889 1.00 1.00 C ATOM 490 C THR A 32 21.476 -4.581 -7.339 1.00 1.00 C ATOM 491 O THR A 32 22.564 -5.076 -7.610 1.00 1.00 O ATOM 492 CB THR A 32 22.061 -3.635 -5.099 1.00 1.00 C ATOM 493 OG1 THR A 32 22.176 -2.347 -5.686 1.00 1.00 O ATOM 494 CG2 THR A 32 23.438 -4.331 -5.124 1.00 1.00 C ATOM 0 H THR A 32 21.222 -6.536 -5.869 1.00 1.00 H new ATOM 0 HA THR A 32 20.065 -3.938 -5.859 1.00 1.00 H new ATOM 0 HB THR A 32 21.732 -3.553 -4.063 1.00 1.00 H new ATOM 0 HG1 THR A 32 22.833 -1.818 -5.188 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.156 -3.737 -4.559 1.00 1.00 H new ATOM 0 HG22 THR A 32 23.353 -5.321 -4.676 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.778 -4.427 -6.155 1.00 1.00 H new ATOM 502 N ALA A 33 20.636 -4.128 -8.269 1.00 1.00 N ATOM 503 CA ALA A 33 20.970 -4.192 -9.692 1.00 1.00 C ATOM 504 C ALA A 33 19.745 -3.824 -10.534 1.00 1.00 C ATOM 505 O ALA A 33 18.662 -4.373 -10.332 1.00 1.00 O ATOM 506 CB ALA A 33 21.474 -5.608 -10.074 1.00 1.00 C ATOM 0 H ALA A 33 19.726 -3.716 -8.065 1.00 1.00 H new ATOM 0 HA ALA A 33 21.769 -3.478 -9.892 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.717 -5.634 -11.136 1.00 1.00 H new ATOM 0 HB2 ALA A 33 22.365 -5.846 -9.492 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.695 -6.341 -9.862 1.00 1.00 H new ATOM 512 N ALA A 34 19.931 -2.920 -11.495 1.00 1.00 N ATOM 513 CA ALA A 34 18.840 -2.519 -12.382 1.00 1.00 C ATOM 514 C ALA A 34 18.651 -3.559 -13.481 1.00 1.00 C ATOM 515 O ALA A 34 19.543 -3.787 -14.295 1.00 1.00 O ATOM 516 CB ALA A 34 19.153 -1.160 -13.011 1.00 1.00 C ATOM 0 H ALA A 34 20.820 -2.454 -11.679 1.00 1.00 H new ATOM 0 HA ALA A 34 17.922 -2.444 -11.799 1.00 1.00 H new ATOM 0 HB1 ALA A 34 18.336 -0.868 -13.671 1.00 1.00 H new ATOM 0 HB2 ALA A 34 19.270 -0.414 -12.225 1.00 1.00 H new ATOM 0 HB3 ALA A 34 20.076 -1.229 -13.586 1.00 1.00 H new ATOM 522 N GLN A 35 17.472 -4.182 -13.499 1.00 1.00 N ATOM 523 CA GLN A 35 17.147 -5.199 -14.503 1.00 1.00 C ATOM 524 C GLN A 35 15.660 -5.157 -14.837 1.00 1.00 C ATOM 525 O GLN A 35 14.834 -4.778 -14.007 1.00 1.00 O ATOM 526 CB GLN A 35 17.525 -6.596 -13.989 1.00 1.00 C ATOM 527 CG GLN A 35 19.048 -6.702 -13.839 1.00 1.00 C ATOM 528 CD GLN A 35 19.442 -8.133 -13.490 1.00 1.00 C ATOM 529 OE1 GLN A 35 18.972 -9.080 -14.121 1.00 1.00 O ATOM 530 NE2 GLN A 35 20.287 -8.344 -12.520 1.00 1.00 N ATOM 0 H GLN A 35 16.724 -4.001 -12.829 1.00 1.00 H new ATOM 0 HA GLN A 35 17.719 -4.987 -15.406 1.00 1.00 H new ATOM 0 HB2 GLN A 35 17.042 -6.783 -13.030 1.00 1.00 H new ATOM 0 HB3 GLN A 35 17.165 -7.357 -14.681 1.00 1.00 H new ATOM 0 HG2 GLN A 35 19.534 -6.398 -14.766 1.00 1.00 H new ATOM 0 HG3 GLN A 35 19.393 -6.021 -13.060 1.00 1.00 H new ATOM 0 HE21 GLN A 35 20.674 -7.556 -12.000 1.00 1.00 H new ATOM 0 HE22 GLN A 35 20.561 -9.297 -12.281 1.00 1.00 H new ATOM 539 N GLU A 36 15.327 -5.538 -16.063 1.00 1.00 N ATOM 540 CA GLU A 36 13.937 -5.533 -16.506 1.00 1.00 C ATOM 541 C GLU A 36 13.138 -6.609 -15.783 1.00 1.00 C ATOM 542 O GLU A 36 13.634 -7.712 -15.544 1.00 1.00 O ATOM 543 CB GLU A 36 13.873 -5.781 -18.017 1.00 1.00 C ATOM 544 CG GLU A 36 12.436 -5.588 -18.514 1.00 1.00 C ATOM 545 CD GLU A 36 12.373 -5.759 -20.030 1.00 1.00 C ATOM 546 OE1 GLU A 36 13.421 -5.730 -20.655 1.00 1.00 O ATOM 547 OE2 GLU A 36 11.278 -5.918 -20.541 1.00 1.00 O ATOM 0 H GLU A 36 15.995 -5.853 -16.766 1.00 1.00 H new ATOM 0 HA GLU A 36 13.506 -4.559 -16.274 1.00 1.00 H new ATOM 0 HB2 GLU A 36 14.542 -5.095 -18.536 1.00 1.00 H new ATOM 0 HB3 GLU A 36 14.213 -6.791 -18.244 1.00 1.00 H new ATOM 0 HG2 GLU A 36 11.777 -6.310 -18.032 1.00 1.00 H new ATOM 0 HG3 GLU A 36 12.078 -4.596 -18.238 1.00 1.00 H new ATOM 554 N GLY A 37 11.893 -6.282 -15.446 1.00 1.00 N ATOM 555 CA GLY A 37 11.011 -7.219 -14.758 1.00 1.00 C ATOM 556 C GLY A 37 11.201 -7.134 -13.254 1.00 1.00 C ATOM 557 O GLY A 37 10.442 -7.733 -12.496 1.00 1.00 O ATOM 0 H GLY A 37 11.472 -5.373 -15.639 1.00 1.00 H new ATOM 0 HA2 GLY A 37 9.973 -7.001 -15.011 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.215 -8.234 -15.098 1.00 1.00 H new ATOM 561 N GLN A 38 12.222 -6.388 -12.823 1.00 1.00 N ATOM 562 CA GLN A 38 12.501 -6.240 -11.391 1.00 1.00 C ATOM 563 C GLN A 38 11.933 -4.915 -10.852 1.00 1.00 C ATOM 564 O GLN A 38 11.900 -3.918 -11.575 1.00 1.00 O ATOM 565 CB GLN A 38 14.019 -6.294 -11.138 1.00 1.00 C ATOM 566 CG GLN A 38 14.540 -7.718 -11.395 1.00 1.00 C ATOM 567 CD GLN A 38 14.042 -8.665 -10.306 1.00 1.00 C ATOM 568 OE1 GLN A 38 13.301 -9.605 -10.591 1.00 1.00 O ATOM 569 NE2 GLN A 38 14.398 -8.464 -9.066 1.00 1.00 N ATOM 0 H GLN A 38 12.862 -5.883 -13.436 1.00 1.00 H new ATOM 0 HA GLN A 38 12.017 -7.063 -10.866 1.00 1.00 H new ATOM 0 HB2 GLN A 38 14.531 -5.586 -11.790 1.00 1.00 H new ATOM 0 HB3 GLN A 38 14.237 -5.997 -10.112 1.00 1.00 H new ATOM 0 HG2 GLN A 38 14.203 -8.066 -12.372 1.00 1.00 H new ATOM 0 HG3 GLN A 38 15.630 -7.716 -11.416 1.00 1.00 H new ATOM 0 HE21 GLN A 38 15.012 -7.684 -8.832 1.00 1.00 H new ATOM 0 HE22 GLN A 38 14.062 -9.087 -8.332 1.00 1.00 H new ATOM 578 N PRO A 39 11.501 -4.876 -9.604 1.00 1.00 N ATOM 579 CA PRO A 39 10.953 -3.632 -8.991 1.00 1.00 C ATOM 580 C PRO A 39 11.757 -2.379 -9.371 1.00 1.00 C ATOM 581 O PRO A 39 12.977 -2.331 -9.203 1.00 1.00 O ATOM 582 CB PRO A 39 11.063 -3.908 -7.478 1.00 1.00 C ATOM 583 CG PRO A 39 10.928 -5.396 -7.333 1.00 1.00 C ATOM 584 CD PRO A 39 11.469 -6.010 -8.644 1.00 1.00 C ATOM 0 HA PRO A 39 9.939 -3.424 -9.331 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.018 -3.560 -7.084 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.281 -3.387 -6.926 1.00 1.00 H new ATOM 0 HG2 PRO A 39 11.493 -5.756 -6.473 1.00 1.00 H new ATOM 0 HG3 PRO A 39 9.888 -5.678 -7.172 1.00 1.00 H new ATOM 0 HD2 PRO A 39 12.462 -6.437 -8.502 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.825 -6.813 -9.001 1.00 1.00 H new ATOM 592 N GLU A 40 11.053 -1.370 -9.872 1.00 1.00 N ATOM 593 CA GLU A 40 11.687 -0.112 -10.262 1.00 1.00 C ATOM 594 C GLU A 40 12.172 0.642 -9.026 1.00 1.00 C ATOM 595 O GLU A 40 13.084 1.464 -9.105 1.00 1.00 O ATOM 596 CB GLU A 40 10.698 0.759 -11.045 1.00 1.00 C ATOM 597 CG GLU A 40 10.410 0.115 -12.405 1.00 1.00 C ATOM 598 CD GLU A 40 9.366 0.926 -13.168 1.00 1.00 C ATOM 599 OE1 GLU A 40 8.926 1.939 -12.647 1.00 1.00 O ATOM 600 OE2 GLU A 40 9.020 0.521 -14.265 1.00 1.00 O ATOM 0 H GLU A 40 10.044 -1.397 -10.018 1.00 1.00 H new ATOM 0 HA GLU A 40 12.543 -0.338 -10.898 1.00 1.00 H new ATOM 0 HB2 GLU A 40 9.772 0.872 -10.481 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.110 1.759 -11.185 1.00 1.00 H new ATOM 0 HG2 GLU A 40 11.329 0.054 -12.988 1.00 1.00 H new ATOM 0 HG3 GLU A 40 10.054 -0.906 -12.263 1.00 1.00 H new ATOM 607 N PHE A 41 11.544 0.369 -7.888 1.00 1.00 N ATOM 608 CA PHE A 41 11.911 1.042 -6.647 1.00 1.00 C ATOM 609 C PHE A 41 13.329 0.668 -6.222 1.00 1.00 C ATOM 610 O PHE A 41 13.902 1.296 -5.336 1.00 1.00 O ATOM 611 CB PHE A 41 10.933 0.656 -5.533 1.00 1.00 C ATOM 612 CG PHE A 41 9.511 0.834 -6.028 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.040 2.116 -6.332 1.00 1.00 C ATOM 614 CD2 PHE A 41 8.666 -0.277 -6.189 1.00 1.00 C ATOM 615 CE1 PHE A 41 7.731 2.291 -6.794 1.00 1.00 C ATOM 616 CE2 PHE A 41 7.356 -0.098 -6.652 1.00 1.00 C ATOM 617 CZ PHE A 41 6.889 1.185 -6.954 1.00 1.00 C ATOM 0 H PHE A 41 10.785 -0.307 -7.798 1.00 1.00 H new ATOM 0 HA PHE A 41 11.868 2.117 -6.821 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.098 -0.378 -5.231 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.104 1.276 -4.653 1.00 1.00 H new ATOM 0 HD1 PHE A 41 9.688 2.972 -6.210 1.00 1.00 H new ATOM 0 HD2 PHE A 41 9.026 -1.268 -5.956 1.00 1.00 H new ATOM 0 HE1 PHE A 41 7.370 3.282 -7.028 1.00 1.00 H new ATOM 0 HE2 PHE A 41 6.706 -0.952 -6.776 1.00 1.00 H new ATOM 0 HZ PHE A 41 5.879 1.322 -7.311 1.00 1.00 H new ATOM 627 N ILE A 42 13.884 -0.371 -6.854 1.00 1.00 N ATOM 628 CA ILE A 42 15.241 -0.844 -6.541 1.00 1.00 C ATOM 629 C ILE A 42 16.184 -0.546 -7.701 1.00 1.00 C ATOM 630 O ILE A 42 17.349 -0.210 -7.499 1.00 1.00 O ATOM 631 CB ILE A 42 15.210 -2.353 -6.285 1.00 1.00 C ATOM 632 CG1 ILE A 42 14.180 -2.666 -5.182 1.00 1.00 C ATOM 633 CG2 ILE A 42 16.597 -2.844 -5.873 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.505 -1.955 -3.849 1.00 1.00 C ATOM 0 H ILE A 42 13.415 -0.903 -7.587 1.00 1.00 H new ATOM 0 HA ILE A 42 15.599 -0.327 -5.651 1.00 1.00 H new ATOM 0 HB ILE A 42 14.919 -2.869 -7.200 1.00 1.00 H new ATOM 0 HG12 ILE A 42 13.189 -2.363 -5.519 1.00 1.00 H new ATOM 0 HG13 ILE A 42 14.146 -3.743 -5.017 1.00 1.00 H new ATOM 0 HG21 ILE A 42 16.564 -3.919 -5.693 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.310 -2.631 -6.670 1.00 1.00 H new ATOM 0 HG23 ILE A 42 16.908 -2.333 -4.962 1.00 1.00 H new ATOM 0 HD11 ILE A 42 13.748 -2.210 -3.107 1.00 1.00 H new ATOM 0 HD12 ILE A 42 15.484 -2.277 -3.494 1.00 1.00 H new ATOM 0 HD13 ILE A 42 14.512 -0.876 -4.004 1.00 1.00 H new ATOM 646 N ASN A 43 15.678 -0.691 -8.917 1.00 1.00 N ATOM 647 CA ASN A 43 16.501 -0.457 -10.094 1.00 1.00 C ATOM 648 C ASN A 43 16.953 0.997 -10.169 1.00 1.00 C ATOM 649 O ASN A 43 18.088 1.283 -10.551 1.00 1.00 O ATOM 650 CB ASN A 43 15.730 -0.812 -11.365 1.00 1.00 C ATOM 651 CG ASN A 43 15.264 -2.263 -11.308 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.902 -3.099 -10.669 1.00 1.00 O ATOM 653 ND2 ASN A 43 14.182 -2.613 -11.947 1.00 1.00 N ATOM 0 H ASN A 43 14.715 -0.966 -9.113 1.00 1.00 H new ATOM 0 HA ASN A 43 17.381 -1.095 -10.012 1.00 1.00 H new ATOM 0 HB2 ASN A 43 14.871 -0.150 -11.475 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.364 -0.660 -12.239 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.863 -3.581 -11.918 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.655 -1.918 -12.476 1.00 1.00 H new ATOM 660 N ARG A 44 16.062 1.914 -9.812 1.00 1.00 N ATOM 661 CA ARG A 44 16.378 3.332 -9.860 1.00 1.00 C ATOM 662 C ARG A 44 17.540 3.662 -8.930 1.00 1.00 C ATOM 663 O ARG A 44 18.370 4.523 -9.230 1.00 1.00 O ATOM 664 CB ARG A 44 15.127 4.122 -9.456 1.00 1.00 C ATOM 665 CG ARG A 44 14.009 3.945 -10.512 1.00 1.00 C ATOM 666 CD ARG A 44 14.194 4.929 -11.675 1.00 1.00 C ATOM 667 NE ARG A 44 13.203 4.681 -12.711 1.00 1.00 N ATOM 668 CZ ARG A 44 13.132 5.460 -13.781 1.00 1.00 C ATOM 669 NH1 ARG A 44 13.954 6.467 -13.909 1.00 1.00 N ATOM 670 NH2 ARG A 44 12.241 5.223 -14.701 1.00 1.00 N ATOM 0 H ARG A 44 15.119 1.700 -9.488 1.00 1.00 H new ATOM 0 HA ARG A 44 16.680 3.604 -10.871 1.00 1.00 H new ATOM 0 HB2 ARG A 44 14.773 3.781 -8.483 1.00 1.00 H new ATOM 0 HB3 ARG A 44 15.374 5.179 -9.353 1.00 1.00 H new ATOM 0 HG2 ARG A 44 14.019 2.923 -10.890 1.00 1.00 H new ATOM 0 HG3 ARG A 44 13.036 4.104 -10.047 1.00 1.00 H new ATOM 0 HD2 ARG A 44 14.102 5.953 -11.312 1.00 1.00 H new ATOM 0 HD3 ARG A 44 15.197 4.827 -12.090 1.00 1.00 H new ATOM 0 HE ARG A 44 12.556 3.899 -12.613 1.00 1.00 H new ATOM 0 HH11 ARG A 44 14.649 6.653 -13.186 1.00 1.00 H new ATOM 0 HH12 ARG A 44 13.901 7.067 -14.732 1.00 1.00 H new ATOM 0 HH21 ARG A 44 11.598 4.438 -14.598 1.00 1.00 H new ATOM 0 HH22 ARG A 44 12.186 5.822 -15.524 1.00 1.00 H new ATOM 684 N LEU A 45 17.592 2.974 -7.801 1.00 1.00 N ATOM 685 CA LEU A 45 18.656 3.191 -6.830 1.00 1.00 C ATOM 686 C LEU A 45 20.004 2.746 -7.393 1.00 1.00 C ATOM 687 O LEU A 45 21.024 3.369 -7.138 1.00 1.00 O ATOM 688 CB LEU A 45 18.344 2.428 -5.530 1.00 1.00 C ATOM 689 CG LEU A 45 17.330 3.214 -4.687 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.051 3.455 -5.504 1.00 1.00 C ATOM 691 CD2 LEU A 45 17.006 2.404 -3.425 1.00 1.00 C ATOM 0 H LEU A 45 16.913 2.262 -7.533 1.00 1.00 H new ATOM 0 HA LEU A 45 18.713 4.258 -6.613 1.00 1.00 H new ATOM 0 HB2 LEU A 45 17.946 1.441 -5.765 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.261 2.274 -4.960 1.00 1.00 H new ATOM 0 HG LEU A 45 17.749 4.180 -4.405 1.00 1.00 H new ATOM 0 HD11 LEU A 45 15.334 4.013 -4.902 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.294 4.026 -6.400 1.00 1.00 H new ATOM 0 HD13 LEU A 45 15.616 2.497 -5.790 1.00 1.00 H new ATOM 0 HD21 LEU A 45 16.286 2.951 -2.816 1.00 1.00 H new ATOM 0 HD22 LEU A 45 16.583 1.441 -3.710 1.00 1.00 H new ATOM 0 HD23 LEU A 45 17.919 2.244 -2.851 1.00 1.00 H new ATOM 703 N PHE A 46 20.016 1.662 -8.150 1.00 1.00 N ATOM 704 CA PHE A 46 21.262 1.175 -8.709 1.00 1.00 C ATOM 705 C PHE A 46 21.827 2.157 -9.727 1.00 1.00 C ATOM 706 O PHE A 46 23.020 2.122 -10.031 1.00 1.00 O ATOM 707 CB PHE A 46 21.013 -0.174 -9.373 1.00 1.00 C ATOM 708 CG PHE A 46 22.314 -0.721 -9.919 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.248 -1.276 -9.039 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.589 -0.673 -11.294 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.456 -1.784 -9.528 1.00 1.00 C ATOM 712 CE2 PHE A 46 23.798 -1.181 -11.783 1.00 1.00 C ATOM 713 CZ PHE A 46 24.731 -1.736 -10.899 1.00 1.00 C ATOM 0 H PHE A 46 19.191 1.111 -8.388 1.00 1.00 H new ATOM 0 HA PHE A 46 21.991 1.068 -7.906 1.00 1.00 H new ATOM 0 HB2 PHE A 46 20.588 -0.872 -8.652 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.286 -0.065 -10.178 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.037 -1.313 -7.981 1.00 1.00 H new ATOM 0 HD2 PHE A 46 21.868 -0.244 -11.975 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.176 -2.213 -8.847 1.00 1.00 H new ATOM 0 HE2 PHE A 46 24.011 -1.145 -12.841 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.664 -2.128 -11.276 1.00 1.00 H new ATOM 723 N GLU A 47 20.974 3.019 -10.271 1.00 1.00 N ATOM 724 CA GLU A 47 21.422 3.979 -11.275 1.00 1.00 C ATOM 725 C GLU A 47 22.310 5.047 -10.639 1.00 1.00 C ATOM 726 O GLU A 47 22.850 5.903 -11.341 1.00 1.00 O ATOM 727 CB GLU A 47 20.194 4.641 -11.939 1.00 1.00 C ATOM 728 CG GLU A 47 20.567 5.216 -13.318 1.00 1.00 C ATOM 729 CD GLU A 47 20.806 4.083 -14.317 1.00 1.00 C ATOM 730 OE1 GLU A 47 20.556 2.940 -13.962 1.00 1.00 O ATOM 731 OE2 GLU A 47 21.239 4.371 -15.419 1.00 1.00 O ATOM 0 H GLU A 47 19.982 3.074 -10.038 1.00 1.00 H new ATOM 0 HA GLU A 47 22.005 3.453 -12.031 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.394 3.909 -12.049 1.00 1.00 H new ATOM 0 HB3 GLU A 47 19.812 5.436 -11.299 1.00 1.00 H new ATOM 0 HG2 GLU A 47 19.768 5.865 -13.677 1.00 1.00 H new ATOM 0 HG3 GLU A 47 21.463 5.831 -13.233 1.00 1.00 H new ATOM 738 N ILE A 48 22.456 4.999 -9.308 1.00 1.00 N ATOM 739 CA ILE A 48 23.280 5.983 -8.584 1.00 1.00 C ATOM 740 C ILE A 48 24.437 5.283 -7.886 1.00 1.00 C ATOM 741 O ILE A 48 24.245 4.260 -7.229 1.00 1.00 O ATOM 742 CB ILE A 48 22.388 6.766 -7.566 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.855 8.236 -7.469 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.403 6.143 -6.148 1.00 1.00 C ATOM 745 CD1 ILE A 48 24.343 8.323 -7.112 1.00 1.00 C ATOM 0 H ILE A 48 22.019 4.296 -8.712 1.00 1.00 H new ATOM 0 HA ILE A 48 23.702 6.699 -9.290 1.00 1.00 H new ATOM 0 HB ILE A 48 21.367 6.710 -7.945 1.00 1.00 H new ATOM 0 HG12 ILE A 48 22.676 8.740 -8.419 1.00 1.00 H new ATOM 0 HG13 ILE A 48 22.266 8.758 -6.715 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.766 6.730 -5.486 1.00 1.00 H new ATOM 0 HG22 ILE A 48 22.031 5.120 -6.196 1.00 1.00 H new ATOM 0 HG23 ILE A 48 23.423 6.141 -5.762 1.00 1.00 H new ATOM 0 HD11 ILE A 48 24.642 9.369 -7.051 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.515 7.840 -6.150 1.00 1.00 H new ATOM 0 HD13 ILE A 48 24.931 7.822 -7.880 1.00 1.00 H new ATOM 757 N GLU A 49 25.628 5.855 -8.019 1.00 1.00 N ATOM 758 CA GLU A 49 26.806 5.292 -7.386 1.00 1.00 C ATOM 759 C GLU A 49 26.748 5.532 -5.880 1.00 1.00 C ATOM 760 O GLU A 49 26.478 6.643 -5.436 1.00 1.00 O ATOM 761 CB GLU A 49 28.067 5.946 -7.971 1.00 1.00 C ATOM 762 CG GLU A 49 28.190 7.412 -7.497 1.00 1.00 C ATOM 763 CD GLU A 49 29.235 8.151 -8.334 1.00 1.00 C ATOM 764 OE1 GLU A 49 29.906 7.501 -9.117 1.00 1.00 O ATOM 765 OE2 GLU A 49 29.340 9.357 -8.182 1.00 1.00 O ATOM 0 H GLU A 49 25.799 6.704 -8.558 1.00 1.00 H new ATOM 0 HA GLU A 49 26.838 4.219 -7.574 1.00 1.00 H new ATOM 0 HB2 GLU A 49 28.950 5.384 -7.665 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.029 5.912 -9.060 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.225 7.912 -7.582 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.471 7.439 -6.444 1.00 1.00 H new ATOM 772 N GLY A 50 27.024 4.502 -5.094 1.00 1.00 N ATOM 773 CA GLY A 50 27.010 4.631 -3.636 1.00 1.00 C ATOM 774 C GLY A 50 26.372 3.410 -3.007 1.00 1.00 C ATOM 775 O GLY A 50 26.909 2.844 -2.057 1.00 1.00 O ATOM 0 H GLY A 50 27.260 3.570 -5.435 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.028 4.750 -3.265 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.459 5.527 -3.349 1.00 1.00 H new ATOM 779 N VAL A 51 25.231 2.996 -3.548 1.00 1.00 N ATOM 780 CA VAL A 51 24.545 1.825 -3.014 1.00 1.00 C ATOM 781 C VAL A 51 25.380 0.570 -3.220 1.00 1.00 C ATOM 782 O VAL A 51 25.928 0.344 -4.298 1.00 1.00 O ATOM 783 CB VAL A 51 23.192 1.668 -3.704 1.00 1.00 C ATOM 784 CG1 VAL A 51 23.396 1.439 -5.205 1.00 1.00 C ATOM 785 CG2 VAL A 51 22.434 0.480 -3.100 1.00 1.00 C ATOM 0 H VAL A 51 24.769 3.443 -4.340 1.00 1.00 H new ATOM 0 HA VAL A 51 24.396 1.965 -1.943 1.00 1.00 H new ATOM 0 HB VAL A 51 22.611 2.578 -3.556 1.00 1.00 H new ATOM 0 HG11 VAL A 51 22.427 1.328 -5.691 1.00 1.00 H new ATOM 0 HG12 VAL A 51 23.922 2.291 -5.635 1.00 1.00 H new ATOM 0 HG13 VAL A 51 23.985 0.535 -5.358 1.00 1.00 H new ATOM 0 HG21 VAL A 51 21.470 0.373 -3.597 1.00 1.00 H new ATOM 0 HG22 VAL A 51 23.016 -0.431 -3.238 1.00 1.00 H new ATOM 0 HG23 VAL A 51 22.277 0.652 -2.035 1.00 1.00 H new ATOM 795 N LYS A 52 25.468 -0.244 -2.164 1.00 1.00 N ATOM 796 CA LYS A 52 26.232 -1.495 -2.202 1.00 1.00 C ATOM 797 C LYS A 52 25.312 -2.681 -1.944 1.00 1.00 C ATOM 798 O LYS A 52 25.542 -3.775 -2.457 1.00 1.00 O ATOM 799 CB LYS A 52 27.324 -1.461 -1.133 1.00 1.00 C ATOM 800 CG LYS A 52 28.334 -0.361 -1.471 1.00 1.00 C ATOM 801 CD LYS A 52 29.325 -0.189 -0.313 1.00 1.00 C ATOM 802 CE LYS A 52 30.168 -1.462 -0.125 1.00 1.00 C ATOM 803 NZ LYS A 52 31.366 -1.141 0.700 1.00 1.00 N ATOM 0 H LYS A 52 25.017 -0.058 -1.268 1.00 1.00 H new ATOM 0 HA LYS A 52 26.685 -1.602 -3.188 1.00 1.00 H new ATOM 0 HB2 LYS A 52 26.883 -1.276 -0.153 1.00 1.00 H new ATOM 0 HB3 LYS A 52 27.826 -2.427 -1.080 1.00 1.00 H new ATOM 0 HG2 LYS A 52 28.870 -0.616 -2.385 1.00 1.00 H new ATOM 0 HG3 LYS A 52 27.813 0.578 -1.658 1.00 1.00 H new ATOM 0 HD2 LYS A 52 29.979 0.660 -0.511 1.00 1.00 H new ATOM 0 HD3 LYS A 52 28.783 0.033 0.606 1.00 1.00 H new ATOM 0 HE2 LYS A 52 29.575 -2.237 0.361 1.00 1.00 H new ATOM 0 HE3 LYS A 52 30.474 -1.856 -1.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.939 -1.999 0.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 31.934 -0.415 0.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 31.063 -0.784 1.629 1.00 1.00 H new ATOM 817 N SER A 53 24.267 -2.458 -1.151 1.00 1.00 N ATOM 818 CA SER A 53 23.311 -3.515 -0.844 1.00 1.00 C ATOM 819 C SER A 53 22.009 -2.909 -0.334 1.00 1.00 C ATOM 820 O SER A 53 21.999 -1.814 0.227 1.00 1.00 O ATOM 821 CB SER A 53 23.895 -4.459 0.208 1.00 1.00 C ATOM 822 OG SER A 53 24.323 -3.702 1.328 1.00 1.00 O ATOM 0 H SER A 53 24.062 -1.560 -0.712 1.00 1.00 H new ATOM 0 HA SER A 53 23.106 -4.081 -1.753 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.147 -5.190 0.513 1.00 1.00 H new ATOM 0 HB3 SER A 53 24.733 -5.016 -0.211 1.00 1.00 H new ATOM 0 HG SER A 53 24.697 -4.303 2.006 1.00 1.00 H new ATOM 828 N ILE A 54 20.911 -3.645 -0.521 1.00 1.00 N ATOM 829 CA ILE A 54 19.585 -3.205 -0.068 1.00 1.00 C ATOM 830 C ILE A 54 18.882 -4.365 0.617 1.00 1.00 C ATOM 831 O ILE A 54 18.698 -5.418 0.022 1.00 1.00 O ATOM 832 CB ILE A 54 18.746 -2.715 -1.263 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.449 -1.509 -1.914 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.342 -2.300 -0.776 1.00 1.00 C ATOM 835 CD1 ILE A 54 18.784 -1.164 -3.244 1.00 1.00 C ATOM 0 H ILE A 54 20.912 -4.553 -0.985 1.00 1.00 H new ATOM 0 HA ILE A 54 19.701 -2.379 0.634 1.00 1.00 H new ATOM 0 HB ILE A 54 18.646 -3.517 -1.994 1.00 1.00 H new ATOM 0 HG12 ILE A 54 19.407 -0.650 -1.245 1.00 1.00 H new ATOM 0 HG13 ILE A 54 20.503 -1.737 -2.075 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.751 -1.954 -1.624 1.00 1.00 H new ATOM 0 HG22 ILE A 54 16.849 -3.156 -0.315 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.433 -1.497 -0.045 1.00 1.00 H new ATOM 0 HD11 ILE A 54 19.291 -0.310 -3.693 1.00 1.00 H new ATOM 0 HD12 ILE A 54 18.849 -2.020 -3.916 1.00 1.00 H new ATOM 0 HD13 ILE A 54 17.736 -0.916 -3.073 1.00 1.00 H new ATOM 847 N PHE A 55 18.445 -4.143 1.852 1.00 1.00 N ATOM 848 CA PHE A 55 17.731 -5.159 2.626 1.00 1.00 C ATOM 849 C PHE A 55 16.237 -4.879 2.619 1.00 1.00 C ATOM 850 O PHE A 55 15.798 -3.765 2.917 1.00 1.00 O ATOM 851 CB PHE A 55 18.231 -5.135 4.073 1.00 1.00 C ATOM 852 CG PHE A 55 19.677 -5.573 4.114 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.696 -4.641 3.881 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.002 -6.913 4.371 1.00 1.00 C ATOM 855 CE1 PHE A 55 22.036 -5.044 3.909 1.00 1.00 C ATOM 856 CE2 PHE A 55 21.340 -7.316 4.399 1.00 1.00 C ATOM 857 CZ PHE A 55 22.357 -6.382 4.166 1.00 1.00 C ATOM 0 H PHE A 55 18.573 -3.259 2.345 1.00 1.00 H new ATOM 0 HA PHE A 55 17.915 -6.135 2.177 1.00 1.00 H new ATOM 0 HB2 PHE A 55 18.132 -4.131 4.487 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.622 -5.796 4.690 1.00 1.00 H new ATOM 0 HD1 PHE A 55 20.447 -3.610 3.679 1.00 1.00 H new ATOM 0 HD2 PHE A 55 19.218 -7.634 4.547 1.00 1.00 H new ATOM 0 HE1 PHE A 55 22.821 -4.324 3.733 1.00 1.00 H new ATOM 0 HE2 PHE A 55 21.589 -8.347 4.600 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.391 -6.694 4.185 1.00 1.00 H new ATOM 867 N TYR A 56 15.462 -5.912 2.297 1.00 1.00 N ATOM 868 CA TYR A 56 14.000 -5.820 2.269 1.00 1.00 C ATOM 869 C TYR A 56 13.399 -6.815 3.261 1.00 1.00 C ATOM 870 O TYR A 56 13.558 -8.024 3.116 1.00 1.00 O ATOM 871 CB TYR A 56 13.486 -6.102 0.844 1.00 1.00 C ATOM 872 CG TYR A 56 11.984 -6.333 0.865 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.116 -5.250 1.042 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.467 -7.633 0.740 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.733 -5.463 1.084 1.00 1.00 C ATOM 876 CE2 TYR A 56 10.084 -7.843 0.786 1.00 1.00 C ATOM 877 CZ TYR A 56 9.218 -6.758 0.958 1.00 1.00 C ATOM 878 OH TYR A 56 7.855 -6.965 1.011 1.00 1.00 O ATOM 0 H TYR A 56 15.825 -6.833 2.049 1.00 1.00 H new ATOM 0 HA TYR A 56 13.696 -4.814 2.557 1.00 1.00 H new ATOM 0 HB2 TYR A 56 13.723 -5.262 0.191 1.00 1.00 H new ATOM 0 HB3 TYR A 56 13.990 -6.977 0.434 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.512 -4.251 1.146 1.00 1.00 H new ATOM 0 HD2 TYR A 56 12.136 -8.470 0.608 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.062 -4.626 1.214 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.686 -8.842 0.689 1.00 1.00 H new ATOM 0 HH TYR A 56 7.665 -7.921 0.906 1.00 1.00 H new ATOM 888 N VAL A 57 12.685 -6.291 4.252 1.00 1.00 N ATOM 889 CA VAL A 57 12.042 -7.137 5.249 1.00 1.00 C ATOM 890 C VAL A 57 11.007 -6.344 6.031 1.00 1.00 C ATOM 891 O VAL A 57 11.205 -5.168 6.333 1.00 1.00 O ATOM 892 CB VAL A 57 13.096 -7.714 6.197 1.00 1.00 C ATOM 893 CG1 VAL A 57 13.807 -6.573 6.933 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.425 -8.652 7.211 1.00 1.00 C ATOM 0 H VAL A 57 12.538 -5.290 4.385 1.00 1.00 H new ATOM 0 HA VAL A 57 11.534 -7.957 4.741 1.00 1.00 H new ATOM 0 HB VAL A 57 13.828 -8.279 5.620 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.557 -6.987 7.607 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.292 -5.919 6.208 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.079 -6.001 7.508 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.179 -9.060 7.884 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.687 -8.095 7.789 1.00 1.00 H new ATOM 0 HG23 VAL A 57 11.932 -9.467 6.682 1.00 1.00 H new ATOM 904 N LEU A 58 9.913 -7.007 6.369 1.00 1.00 N ATOM 905 CA LEU A 58 8.849 -6.375 7.139 1.00 1.00 C ATOM 906 C LEU A 58 8.237 -5.194 6.362 1.00 1.00 C ATOM 907 O LEU A 58 8.209 -5.190 5.131 1.00 1.00 O ATOM 908 CB LEU A 58 9.425 -5.927 8.534 1.00 1.00 C ATOM 909 CG LEU A 58 8.538 -6.420 9.705 1.00 1.00 C ATOM 910 CD1 LEU A 58 9.237 -6.152 11.047 1.00 1.00 C ATOM 911 CD2 LEU A 58 7.192 -5.690 9.689 1.00 1.00 C ATOM 0 H LEU A 58 9.737 -7.981 6.124 1.00 1.00 H new ATOM 0 HA LEU A 58 8.042 -7.088 7.308 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.435 -6.318 8.653 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.498 -4.840 8.565 1.00 1.00 H new ATOM 0 HG LEU A 58 8.374 -7.491 9.587 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.605 -6.502 11.863 1.00 1.00 H new ATOM 0 HD12 LEU A 58 10.190 -6.681 11.073 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.413 -5.082 11.158 1.00 1.00 H new ATOM 0 HD21 LEU A 58 6.576 -6.044 10.516 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.358 -4.618 9.793 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.682 -5.888 8.746 1.00 1.00 H new ATOM 923 N ASP A 59 7.751 -4.199 7.102 1.00 1.00 N ATOM 924 CA ASP A 59 7.134 -3.006 6.525 1.00 1.00 C ATOM 925 C ASP A 59 8.139 -1.864 6.451 1.00 1.00 C ATOM 926 O ASP A 59 7.757 -0.708 6.297 1.00 1.00 O ATOM 927 CB ASP A 59 5.928 -2.583 7.373 1.00 1.00 C ATOM 928 CG ASP A 59 4.853 -3.664 7.317 1.00 1.00 C ATOM 929 OD1 ASP A 59 4.904 -4.480 6.410 1.00 1.00 O ATOM 930 OD2 ASP A 59 3.992 -3.663 8.183 1.00 1.00 O ATOM 0 H ASP A 59 7.774 -4.198 8.122 1.00 1.00 H new ATOM 0 HA ASP A 59 6.802 -3.242 5.514 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.237 -2.418 8.405 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.527 -1.639 7.006 1.00 1.00 H new ATOM 935 N PHE A 60 9.431 -2.188 6.567 1.00 1.00 N ATOM 936 CA PHE A 60 10.486 -1.171 6.501 1.00 1.00 C ATOM 937 C PHE A 60 11.690 -1.729 5.748 1.00 1.00 C ATOM 938 O PHE A 60 11.880 -2.943 5.673 1.00 1.00 O ATOM 939 CB PHE A 60 10.924 -0.730 7.914 1.00 1.00 C ATOM 940 CG PHE A 60 11.757 -1.823 8.570 1.00 1.00 C ATOM 941 CD1 PHE A 60 13.134 -1.880 8.314 1.00 1.00 C ATOM 942 CD2 PHE A 60 11.163 -2.784 9.401 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.916 -2.887 8.889 1.00 1.00 C ATOM 944 CE2 PHE A 60 11.950 -3.795 9.974 1.00 1.00 C ATOM 945 CZ PHE A 60 13.325 -3.846 9.716 1.00 1.00 C ATOM 0 H PHE A 60 9.770 -3.140 6.706 1.00 1.00 H new ATOM 0 HA PHE A 60 10.089 -0.302 5.976 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.503 0.191 7.852 1.00 1.00 H new ATOM 0 HB3 PHE A 60 10.047 -0.515 8.524 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.593 -1.144 7.671 1.00 1.00 H new ATOM 0 HD2 PHE A 60 10.102 -2.746 9.600 1.00 1.00 H new ATOM 0 HE1 PHE A 60 14.978 -2.923 8.694 1.00 1.00 H new ATOM 0 HE2 PHE A 60 11.494 -4.535 10.615 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.929 -4.626 10.156 1.00 1.00 H new ATOM 955 N ILE A 61 12.501 -0.831 5.204 1.00 1.00 N ATOM 956 CA ILE A 61 13.700 -1.210 4.463 1.00 1.00 C ATOM 957 C ILE A 61 14.884 -0.350 4.899 1.00 1.00 C ATOM 958 O ILE A 61 14.710 0.786 5.341 1.00 1.00 O ATOM 959 CB ILE A 61 13.438 -1.038 2.963 1.00 1.00 C ATOM 960 CG1 ILE A 61 13.092 0.426 2.654 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.261 -1.931 2.544 1.00 1.00 C ATOM 962 CD1 ILE A 61 12.888 0.600 1.146 1.00 1.00 C ATOM 0 H ILE A 61 12.349 0.176 5.263 1.00 1.00 H new ATOM 0 HA ILE A 61 13.942 -2.252 4.670 1.00 1.00 H new ATOM 0 HB ILE A 61 14.334 -1.321 2.412 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.188 0.717 3.189 1.00 1.00 H new ATOM 0 HG13 ILE A 61 13.892 1.080 3.001 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.074 -1.809 1.477 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.502 -2.973 2.754 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.370 -1.645 3.104 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.643 1.640 0.930 1.00 1.00 H new ATOM 0 HD12 ILE A 61 13.803 0.326 0.621 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.073 -0.042 0.813 1.00 1.00 H new ATOM 974 N SER A 62 16.089 -0.895 4.741 1.00 1.00 N ATOM 975 CA SER A 62 17.329 -0.187 5.088 1.00 1.00 C ATOM 976 C SER A 62 18.254 -0.180 3.878 1.00 1.00 C ATOM 977 O SER A 62 18.585 -1.234 3.332 1.00 1.00 O ATOM 978 CB SER A 62 18.022 -0.881 6.260 1.00 1.00 C ATOM 979 OG SER A 62 18.365 -2.207 5.884 1.00 1.00 O ATOM 0 H SER A 62 16.238 -1.834 4.371 1.00 1.00 H new ATOM 0 HA SER A 62 17.091 0.836 5.378 1.00 1.00 H new ATOM 0 HB2 SER A 62 18.917 -0.329 6.547 1.00 1.00 H new ATOM 0 HB3 SER A 62 17.364 -0.896 7.129 1.00 1.00 H new ATOM 0 HG SER A 62 18.578 -2.231 4.928 1.00 1.00 H new ATOM 985 N ILE A 63 18.649 1.021 3.453 1.00 1.00 N ATOM 986 CA ILE A 63 19.519 1.193 2.289 1.00 1.00 C ATOM 987 C ILE A 63 20.911 1.629 2.732 1.00 1.00 C ATOM 988 O ILE A 63 21.068 2.604 3.469 1.00 1.00 O ATOM 989 CB ILE A 63 18.921 2.260 1.352 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.466 1.869 0.930 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.819 2.394 0.108 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.426 2.492 1.884 1.00 1.00 C ATOM 0 H ILE A 63 18.377 1.896 3.902 1.00 1.00 H new ATOM 0 HA ILE A 63 19.596 0.242 1.761 1.00 1.00 H new ATOM 0 HB ILE A 63 18.875 3.215 1.876 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.277 2.205 -0.089 1.00 1.00 H new ATOM 0 HG13 ILE A 63 17.362 0.784 0.932 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.403 3.147 -0.561 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.822 2.693 0.414 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.868 1.436 -0.410 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.423 2.204 1.567 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.603 2.135 2.898 1.00 1.00 H new ATOM 0 HD13 ILE A 63 16.516 3.578 1.861 1.00 1.00 H new ATOM 1004 N ASP A 64 21.920 0.894 2.267 1.00 1.00 N ATOM 1005 CA ASP A 64 23.320 1.184 2.590 1.00 1.00 C ATOM 1006 C ASP A 64 24.003 1.856 1.403 1.00 1.00 C ATOM 1007 O ASP A 64 24.069 1.290 0.314 1.00 1.00 O ATOM 1008 CB ASP A 64 24.044 -0.120 2.936 1.00 1.00 C ATOM 1009 CG ASP A 64 23.505 -0.692 4.248 1.00 1.00 C ATOM 1010 OD1 ASP A 64 22.748 -0.001 4.909 1.00 1.00 O ATOM 1011 OD2 ASP A 64 23.858 -1.814 4.568 1.00 1.00 O ATOM 0 H ASP A 64 21.794 0.085 1.659 1.00 1.00 H new ATOM 0 HA ASP A 64 23.358 1.858 3.445 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.908 -0.844 2.132 1.00 1.00 H new ATOM 0 HB3 ASP A 64 25.115 0.062 3.023 1.00 1.00 H new ATOM 1016 N LYS A 65 24.502 3.071 1.628 1.00 1.00 N ATOM 1017 CA LYS A 65 25.179 3.847 0.586 1.00 1.00 C ATOM 1018 C LYS A 65 26.449 4.486 1.133 1.00 1.00 C ATOM 1019 O LYS A 65 26.528 4.841 2.310 1.00 1.00 O ATOM 1020 CB LYS A 65 24.215 4.934 0.068 1.00 1.00 C ATOM 1021 CG LYS A 65 23.223 4.323 -0.935 1.00 1.00 C ATOM 1022 CD LYS A 65 22.043 5.271 -1.165 1.00 1.00 C ATOM 1023 CE LYS A 65 21.068 4.658 -2.188 1.00 1.00 C ATOM 1024 NZ LYS A 65 19.711 5.214 -1.944 1.00 1.00 N ATOM 0 H LYS A 65 24.450 3.544 2.530 1.00 1.00 H new ATOM 0 HA LYS A 65 25.461 3.185 -0.232 1.00 1.00 H new ATOM 0 HB2 LYS A 65 23.673 5.379 0.903 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.780 5.735 -0.409 1.00 1.00 H new ATOM 0 HG2 LYS A 65 23.728 4.125 -1.880 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.861 3.366 -0.560 1.00 1.00 H new ATOM 0 HD2 LYS A 65 21.526 5.457 -0.224 1.00 1.00 H new ATOM 0 HD3 LYS A 65 22.404 6.234 -1.526 1.00 1.00 H new ATOM 0 HE2 LYS A 65 21.393 4.886 -3.203 1.00 1.00 H new ATOM 0 HE3 LYS A 65 21.054 3.572 -2.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 19.059 4.874 -2.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 19.372 4.904 -1.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 19.752 6.253 -1.970 1.00 1.00 H new ATOM 1038 N GLU A 66 27.436 4.632 0.261 1.00 1.00 N ATOM 1039 CA GLU A 66 28.699 5.232 0.648 1.00 1.00 C ATOM 1040 C GLU A 66 28.465 6.643 1.169 1.00 1.00 C ATOM 1041 O GLU A 66 27.361 7.174 1.077 1.00 1.00 O ATOM 1042 CB GLU A 66 29.645 5.273 -0.556 1.00 1.00 C ATOM 1043 CG GLU A 66 30.045 3.844 -0.944 1.00 1.00 C ATOM 1044 CD GLU A 66 30.910 3.855 -2.202 1.00 1.00 C ATOM 1045 OE1 GLU A 66 31.198 4.934 -2.696 1.00 1.00 O ATOM 1046 OE2 GLU A 66 31.273 2.783 -2.654 1.00 1.00 O ATOM 0 H GLU A 66 27.385 4.343 -0.716 1.00 1.00 H new ATOM 0 HA GLU A 66 29.151 4.632 1.438 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.158 5.766 -1.397 1.00 1.00 H new ATOM 0 HB3 GLU A 66 30.533 5.857 -0.314 1.00 1.00 H new ATOM 0 HG2 GLU A 66 30.591 3.377 -0.124 1.00 1.00 H new ATOM 0 HG3 GLU A 66 29.152 3.243 -1.115 1.00 1.00 H new ATOM 1053 N ASP A 67 29.523 7.245 1.701 1.00 1.00 N ATOM 1054 CA ASP A 67 29.449 8.606 2.225 1.00 1.00 C ATOM 1055 C ASP A 67 29.340 9.631 1.095 1.00 1.00 C ATOM 1056 O ASP A 67 29.051 10.800 1.339 1.00 1.00 O ATOM 1057 CB ASP A 67 30.687 8.904 3.076 1.00 1.00 C ATOM 1058 CG ASP A 67 30.691 8.017 4.319 1.00 1.00 C ATOM 1059 OD1 ASP A 67 29.643 7.484 4.649 1.00 1.00 O ATOM 1060 OD2 ASP A 67 31.742 7.883 4.921 1.00 1.00 O ATOM 0 H ASP A 67 30.443 6.812 1.781 1.00 1.00 H new ATOM 0 HA ASP A 67 28.553 8.683 2.841 1.00 1.00 H new ATOM 0 HB2 ASP A 67 31.591 8.730 2.492 1.00 1.00 H new ATOM 0 HB3 ASP A 67 30.694 9.954 3.368 1.00 1.00 H new ATOM 1065 N ASN A 68 29.610 9.193 -0.140 1.00 1.00 N ATOM 1066 CA ASN A 68 29.574 10.090 -1.299 1.00 1.00 C ATOM 1067 C ASN A 68 28.186 10.104 -1.938 1.00 1.00 C ATOM 1068 O ASN A 68 28.013 10.612 -3.044 1.00 1.00 O ATOM 1069 CB ASN A 68 30.606 9.625 -2.333 1.00 1.00 C ATOM 1070 CG ASN A 68 32.016 9.818 -1.785 1.00 1.00 C ATOM 1071 OD1 ASN A 68 32.214 10.565 -0.826 1.00 1.00 O ATOM 1072 ND2 ASN A 68 33.013 9.186 -2.338 1.00 1.00 N ATOM 0 H ASN A 68 29.855 8.228 -0.361 1.00 1.00 H new ATOM 0 HA ASN A 68 29.809 11.100 -0.962 1.00 1.00 H new ATOM 0 HB2 ASN A 68 30.442 8.575 -2.576 1.00 1.00 H new ATOM 0 HB3 ASN A 68 30.486 10.189 -3.258 1.00 1.00 H new ATOM 0 HD21 ASN A 68 33.959 9.310 -1.977 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.847 8.568 -3.132 1.00 1.00 H new ATOM 1079 N ALA A 69 27.196 9.541 -1.239 1.00 1.00 N ATOM 1080 CA ALA A 69 25.822 9.496 -1.746 1.00 1.00 C ATOM 1081 C ALA A 69 24.986 10.584 -1.086 1.00 1.00 C ATOM 1082 O ALA A 69 25.216 10.930 0.073 1.00 1.00 O ATOM 1083 CB ALA A 69 25.212 8.132 -1.433 1.00 1.00 C ATOM 0 H ALA A 69 27.320 9.111 -0.322 1.00 1.00 H new ATOM 0 HA ALA A 69 25.834 9.658 -2.824 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.190 8.096 -1.809 1.00 1.00 H new ATOM 0 HB2 ALA A 69 25.803 7.351 -1.912 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.208 7.974 -0.354 1.00 1.00 H new ATOM 1089 N ASN A 70 24.014 11.120 -1.814 1.00 1.00 N ATOM 1090 CA ASN A 70 23.140 12.170 -1.280 1.00 1.00 C ATOM 1091 C ASN A 70 21.705 11.894 -1.718 1.00 1.00 C ATOM 1092 O ASN A 70 21.416 11.836 -2.910 1.00 1.00 O ATOM 1093 CB ASN A 70 23.609 13.543 -1.799 1.00 1.00 C ATOM 1094 CG ASN A 70 24.048 13.423 -3.260 1.00 1.00 C ATOM 1095 OD1 ASN A 70 25.217 13.650 -3.572 1.00 1.00 O ATOM 1096 ND2 ASN A 70 23.181 13.081 -4.172 1.00 1.00 N ATOM 0 H ASN A 70 23.807 10.849 -2.775 1.00 1.00 H new ATOM 0 HA ASN A 70 23.185 12.176 -0.191 1.00 1.00 H new ATOM 0 HB2 ASN A 70 22.802 14.270 -1.711 1.00 1.00 H new ATOM 0 HB3 ASN A 70 24.436 13.909 -1.190 1.00 1.00 H new ATOM 0 HD21 ASN A 70 23.471 13.001 -5.147 1.00 1.00 H new ATOM 0 HD22 ASN A 70 22.213 12.893 -3.911 1.00 1.00 H new ATOM 1103 N TRP A 71 20.814 11.730 -0.747 1.00 1.00 N ATOM 1104 CA TRP A 71 19.416 11.456 -1.043 1.00 1.00 C ATOM 1105 C TRP A 71 18.774 12.640 -1.759 1.00 1.00 C ATOM 1106 O TRP A 71 17.709 12.509 -2.365 1.00 1.00 O ATOM 1107 CB TRP A 71 18.650 11.157 0.251 1.00 1.00 C ATOM 1108 CG TRP A 71 19.100 9.848 0.813 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.074 9.687 1.737 1.00 1.00 C ATOM 1110 CD2 TRP A 71 18.607 8.516 0.501 1.00 1.00 C ATOM 1111 NE1 TRP A 71 20.208 8.339 2.014 1.00 1.00 N ATOM 1112 CE2 TRP A 71 19.328 7.576 1.273 1.00 1.00 C ATOM 1113 CE3 TRP A 71 17.615 8.038 -0.374 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 19.069 6.208 1.186 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 17.353 6.663 -0.466 1.00 1.00 C ATOM 1116 CH2 TRP A 71 18.080 5.749 0.311 1.00 1.00 C ATOM 0 H TRP A 71 21.035 11.782 0.247 1.00 1.00 H new ATOM 0 HA TRP A 71 19.370 10.585 -1.697 1.00 1.00 H new ATOM 0 HB2 TRP A 71 18.819 11.952 0.977 1.00 1.00 H new ATOM 0 HB3 TRP A 71 17.579 11.129 0.052 1.00 1.00 H new ATOM 0 HD1 TRP A 71 20.653 10.481 2.185 1.00 1.00 H new ATOM 0 HE1 TRP A 71 20.875 7.955 2.684 1.00 1.00 H new ATOM 0 HE3 TRP A 71 17.052 8.734 -0.978 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 19.628 5.509 1.790 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 16.587 6.306 -1.139 1.00 1.00 H new ATOM 0 HH2 TRP A 71 17.876 4.691 0.233 1.00 1.00 H new ATOM 1127 N ASN A 72 19.422 13.796 -1.682 1.00 1.00 N ATOM 1128 CA ASN A 72 18.895 14.998 -2.319 1.00 1.00 C ATOM 1129 C ASN A 72 18.746 14.795 -3.824 1.00 1.00 C ATOM 1130 O ASN A 72 17.996 15.511 -4.485 1.00 1.00 O ATOM 1131 CB ASN A 72 19.828 16.179 -2.050 1.00 1.00 C ATOM 1132 CG ASN A 72 20.061 16.322 -0.551 1.00 1.00 C ATOM 1133 OD1 ASN A 72 21.038 16.939 -0.129 1.00 1.00 O ATOM 1134 ND2 ASN A 72 19.214 15.784 0.285 1.00 1.00 N ATOM 0 H ASN A 72 20.306 13.927 -1.190 1.00 1.00 H new ATOM 0 HA ASN A 72 17.911 15.206 -1.898 1.00 1.00 H new ATOM 0 HB2 ASN A 72 20.778 16.028 -2.562 1.00 1.00 H new ATOM 0 HB3 ASN A 72 19.394 17.096 -2.449 1.00 1.00 H new ATOM 0 HD21 ASN A 72 19.362 15.875 1.290 1.00 1.00 H new ATOM 0 HD22 ASN A 72 18.405 15.273 -0.067 1.00 1.00 H new ATOM 1141 N GLU A 73 19.477 13.815 -4.362 1.00 1.00 N ATOM 1142 CA GLU A 73 19.432 13.515 -5.796 1.00 1.00 C ATOM 1143 C GLU A 73 18.489 12.345 -6.077 1.00 1.00 C ATOM 1144 O GLU A 73 17.893 12.267 -7.150 1.00 1.00 O ATOM 1145 CB GLU A 73 20.841 13.171 -6.293 1.00 1.00 C ATOM 1146 CG GLU A 73 21.750 14.400 -6.170 1.00 1.00 C ATOM 1147 CD GLU A 73 21.309 15.489 -7.143 1.00 1.00 C ATOM 1148 OE1 GLU A 73 20.624 15.160 -8.099 1.00 1.00 O ATOM 1149 OE2 GLU A 73 21.659 16.634 -6.918 1.00 1.00 O ATOM 0 H GLU A 73 20.106 13.216 -3.827 1.00 1.00 H new ATOM 0 HA GLU A 73 19.059 14.394 -6.322 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.250 12.345 -5.711 1.00 1.00 H new ATOM 0 HB3 GLU A 73 20.800 12.840 -7.331 1.00 1.00 H new ATOM 0 HG2 GLU A 73 21.720 14.782 -5.149 1.00 1.00 H new ATOM 0 HG3 GLU A 73 22.783 14.118 -6.374 1.00 1.00 H new ATOM 1156 N LEU A 74 18.366 11.425 -5.122 1.00 1.00 N ATOM 1157 CA LEU A 74 17.487 10.269 -5.300 1.00 1.00 C ATOM 1158 C LEU A 74 16.020 10.671 -5.246 1.00 1.00 C ATOM 1159 O LEU A 74 15.206 10.139 -5.996 1.00 1.00 O ATOM 1160 CB LEU A 74 17.759 9.224 -4.210 1.00 1.00 C ATOM 1161 CG LEU A 74 19.004 8.411 -4.565 1.00 1.00 C ATOM 1162 CD1 LEU A 74 20.206 9.351 -4.771 1.00 1.00 C ATOM 1163 CD2 LEU A 74 19.298 7.439 -3.432 1.00 1.00 C ATOM 0 H LEU A 74 18.856 11.455 -4.228 1.00 1.00 H new ATOM 0 HA LEU A 74 17.697 9.846 -6.282 1.00 1.00 H new ATOM 0 HB2 LEU A 74 17.899 9.717 -3.248 1.00 1.00 H new ATOM 0 HB3 LEU A 74 16.899 8.562 -4.107 1.00 1.00 H new ATOM 0 HG LEU A 74 18.829 7.859 -5.489 1.00 1.00 H new ATOM 0 HD11 LEU A 74 21.088 8.763 -5.024 1.00 1.00 H new ATOM 0 HD12 LEU A 74 19.989 10.047 -5.582 1.00 1.00 H new ATOM 0 HD13 LEU A 74 20.392 9.910 -3.854 1.00 1.00 H new ATOM 0 HD21 LEU A 74 20.185 6.854 -3.676 1.00 1.00 H new ATOM 0 HD22 LEU A 74 19.472 7.996 -2.511 1.00 1.00 H new ATOM 0 HD23 LEU A 74 18.448 6.770 -3.297 1.00 1.00 H new ATOM 1175 N LEU A 75 15.691 11.606 -4.347 1.00 1.00 N ATOM 1176 CA LEU A 75 14.305 12.067 -4.188 1.00 1.00 C ATOM 1177 C LEU A 75 13.614 12.191 -5.552 1.00 1.00 C ATOM 1178 O LEU A 75 12.644 11.483 -5.825 1.00 1.00 O ATOM 1179 CB LEU A 75 14.266 13.439 -3.449 1.00 1.00 C ATOM 1180 CG LEU A 75 13.846 13.292 -1.966 1.00 1.00 C ATOM 1181 CD1 LEU A 75 14.968 12.608 -1.177 1.00 1.00 C ATOM 1182 CD2 LEU A 75 13.577 14.690 -1.377 1.00 1.00 C ATOM 0 H LEU A 75 16.360 12.056 -3.722 1.00 1.00 H new ATOM 0 HA LEU A 75 13.771 11.328 -3.591 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.249 13.906 -3.502 1.00 1.00 H new ATOM 0 HB3 LEU A 75 13.569 14.104 -3.958 1.00 1.00 H new ATOM 0 HG LEU A 75 12.943 12.686 -1.900 1.00 1.00 H new ATOM 0 HD11 LEU A 75 14.669 12.506 -0.134 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.159 11.621 -1.598 1.00 1.00 H new ATOM 0 HD13 LEU A 75 15.875 13.210 -1.238 1.00 1.00 H new ATOM 0 HD21 LEU A 75 13.281 14.594 -0.332 1.00 1.00 H new ATOM 0 HD22 LEU A 75 14.483 15.293 -1.443 1.00 1.00 H new ATOM 0 HD23 LEU A 75 12.777 15.173 -1.938 1.00 1.00 H new ATOM 1194 N PRO A 76 14.087 13.059 -6.412 1.00 1.00 N ATOM 1195 CA PRO A 76 13.471 13.237 -7.757 1.00 1.00 C ATOM 1196 C PRO A 76 13.590 11.973 -8.612 1.00 1.00 C ATOM 1197 O PRO A 76 12.829 11.780 -9.561 1.00 1.00 O ATOM 1198 CB PRO A 76 14.263 14.419 -8.368 1.00 1.00 C ATOM 1199 CG PRO A 76 15.585 14.376 -7.667 1.00 1.00 C ATOM 1200 CD PRO A 76 15.251 13.958 -6.228 1.00 1.00 C ATOM 0 HA PRO A 76 12.400 13.431 -7.703 1.00 1.00 H new ATOM 0 HB2 PRO A 76 14.380 14.305 -9.446 1.00 1.00 H new ATOM 0 HB3 PRO A 76 13.754 15.368 -8.201 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.261 13.663 -8.140 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.078 15.348 -7.693 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.087 13.446 -5.751 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.005 14.817 -5.604 1.00 1.00 H new ATOM 1208 N GLN A 77 14.558 11.116 -8.287 1.00 1.00 N ATOM 1209 CA GLN A 77 14.766 9.887 -9.056 1.00 1.00 C ATOM 1210 C GLN A 77 13.700 8.837 -8.731 1.00 1.00 C ATOM 1211 O GLN A 77 13.024 8.326 -9.625 1.00 1.00 O ATOM 1212 CB GLN A 77 16.161 9.318 -8.747 1.00 1.00 C ATOM 1213 CG GLN A 77 16.538 8.268 -9.792 1.00 1.00 C ATOM 1214 CD GLN A 77 17.919 7.702 -9.490 1.00 1.00 C ATOM 1215 OE1 GLN A 77 18.155 7.186 -8.397 1.00 1.00 O ATOM 1216 NE2 GLN A 77 18.850 7.762 -10.401 1.00 1.00 N ATOM 0 H GLN A 77 15.203 11.246 -7.508 1.00 1.00 H new ATOM 0 HA GLN A 77 14.688 10.132 -10.115 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.898 10.121 -8.743 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.170 8.873 -7.752 1.00 1.00 H new ATOM 0 HG2 GLN A 77 15.800 7.466 -9.795 1.00 1.00 H new ATOM 0 HG3 GLN A 77 16.529 8.714 -10.787 1.00 1.00 H new ATOM 0 HE21 GLN A 77 18.652 8.190 -11.305 1.00 1.00 H new ATOM 0 HE22 GLN A 77 19.777 7.381 -10.209 1.00 1.00 H new ATOM 1225 N ILE A 78 13.568 8.525 -7.445 1.00 1.00 N ATOM 1226 CA ILE A 78 12.592 7.534 -6.994 1.00 1.00 C ATOM 1227 C ILE A 78 11.175 8.083 -7.080 1.00 1.00 C ATOM 1228 O ILE A 78 10.249 7.374 -7.478 1.00 1.00 O ATOM 1229 CB ILE A 78 12.912 7.092 -5.556 1.00 1.00 C ATOM 1230 CG1 ILE A 78 12.779 8.291 -4.590 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.339 6.522 -5.514 1.00 1.00 C ATOM 1232 CD1 ILE A 78 13.244 7.906 -3.181 1.00 1.00 C ATOM 0 H ILE A 78 14.122 8.942 -6.697 1.00 1.00 H new ATOM 0 HA ILE A 78 12.656 6.667 -7.652 1.00 1.00 H new ATOM 0 HB ILE A 78 12.207 6.322 -5.242 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.372 9.128 -4.958 1.00 1.00 H new ATOM 0 HG13 ILE A 78 11.742 8.625 -4.558 1.00 1.00 H new ATOM 0 HG21 ILE A 78 14.575 6.206 -4.498 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.409 5.666 -6.186 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.047 7.289 -5.829 1.00 1.00 H new ATOM 0 HD11 ILE A 78 13.142 8.764 -2.517 1.00 1.00 H new ATOM 0 HD12 ILE A 78 12.633 7.084 -2.808 1.00 1.00 H new ATOM 0 HD13 ILE A 78 14.288 7.595 -3.215 1.00 1.00 H new ATOM 1244 N GLU A 79 11.007 9.349 -6.703 1.00 1.00 N ATOM 1245 CA GLU A 79 9.689 9.977 -6.723 1.00 1.00 C ATOM 1246 C GLU A 79 9.033 9.775 -8.081 1.00 1.00 C ATOM 1247 O GLU A 79 7.810 9.685 -8.184 1.00 1.00 O ATOM 1248 CB GLU A 79 9.822 11.475 -6.416 1.00 1.00 C ATOM 1249 CG GLU A 79 8.438 12.131 -6.382 1.00 1.00 C ATOM 1250 CD GLU A 79 8.557 13.587 -5.935 1.00 1.00 C ATOM 1251 OE1 GLU A 79 9.668 14.092 -5.903 1.00 1.00 O ATOM 1252 OE2 GLU A 79 7.533 14.177 -5.629 1.00 1.00 O ATOM 0 H GLU A 79 11.762 9.956 -6.382 1.00 1.00 H new ATOM 0 HA GLU A 79 9.062 9.513 -5.961 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.323 11.615 -5.458 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.442 11.955 -7.173 1.00 1.00 H new ATOM 0 HG2 GLU A 79 7.980 12.082 -7.370 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.785 11.586 -5.700 1.00 1.00 H new ATOM 1259 N ASN A 80 9.854 9.686 -9.116 1.00 1.00 N ATOM 1260 CA ASN A 80 9.341 9.474 -10.457 1.00 1.00 C ATOM 1261 C ASN A 80 8.641 8.118 -10.545 1.00 1.00 C ATOM 1262 O ASN A 80 7.588 7.997 -11.169 1.00 1.00 O ATOM 1263 CB ASN A 80 10.483 9.536 -11.473 1.00 1.00 C ATOM 1264 CG ASN A 80 9.936 9.336 -12.884 1.00 1.00 C ATOM 1265 OD1 ASN A 80 10.012 8.234 -13.429 1.00 1.00 O ATOM 1266 ND2 ASN A 80 9.386 10.340 -13.509 1.00 1.00 N ATOM 0 H ASN A 80 10.870 9.757 -9.053 1.00 1.00 H new ATOM 0 HA ASN A 80 8.621 10.260 -10.684 1.00 1.00 H new ATOM 0 HB2 ASN A 80 10.991 10.498 -11.404 1.00 1.00 H new ATOM 0 HB3 ASN A 80 11.223 8.768 -11.248 1.00 1.00 H new ATOM 0 HD21 ASN A 80 9.017 10.214 -14.452 1.00 1.00 H new ATOM 0 HD22 ASN A 80 9.324 11.251 -13.055 1.00 1.00 H new ATOM 1273 N THR A 81 9.233 7.100 -9.919 1.00 1.00 N ATOM 1274 CA THR A 81 8.652 5.765 -9.948 1.00 1.00 C ATOM 1275 C THR A 81 7.276 5.760 -9.283 1.00 1.00 C ATOM 1276 O THR A 81 6.301 5.276 -9.859 1.00 1.00 O ATOM 1277 CB THR A 81 9.580 4.788 -9.217 1.00 1.00 C ATOM 1278 OG1 THR A 81 10.909 5.000 -9.654 1.00 1.00 O ATOM 1279 CG2 THR A 81 9.171 3.349 -9.529 1.00 1.00 C ATOM 0 H THR A 81 10.104 7.176 -9.393 1.00 1.00 H new ATOM 0 HA THR A 81 8.536 5.457 -10.987 1.00 1.00 H new ATOM 0 HB THR A 81 9.508 4.956 -8.142 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.498 5.095 -8.876 1.00 1.00 H new ATOM 0 HG21 THR A 81 9.835 2.661 -9.006 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.145 3.183 -9.201 1.00 1.00 H new ATOM 0 HG23 THR A 81 9.241 3.175 -10.603 1.00 1.00 H new ATOM 1287 N PHE A 82 7.204 6.308 -8.070 1.00 1.00 N ATOM 1288 CA PHE A 82 5.945 6.366 -7.341 1.00 1.00 C ATOM 1289 C PHE A 82 4.970 7.316 -8.022 1.00 1.00 C ATOM 1290 O PHE A 82 3.778 7.032 -8.123 1.00 1.00 O ATOM 1291 CB PHE A 82 6.195 6.845 -5.915 1.00 1.00 C ATOM 1292 CG PHE A 82 7.112 5.864 -5.213 1.00 1.00 C ATOM 1293 CD1 PHE A 82 6.627 4.602 -4.855 1.00 1.00 C ATOM 1294 CD2 PHE A 82 8.442 6.208 -4.925 1.00 1.00 C ATOM 1295 CE1 PHE A 82 7.464 3.685 -4.208 1.00 1.00 C ATOM 1296 CE2 PHE A 82 9.279 5.288 -4.277 1.00 1.00 C ATOM 1297 CZ PHE A 82 8.789 4.027 -3.920 1.00 1.00 C ATOM 0 H PHE A 82 7.999 6.715 -7.577 1.00 1.00 H new ATOM 0 HA PHE A 82 5.513 5.365 -7.327 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.645 7.838 -5.926 1.00 1.00 H new ATOM 0 HB3 PHE A 82 5.251 6.929 -5.376 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.605 4.334 -5.078 1.00 1.00 H new ATOM 0 HD2 PHE A 82 8.821 7.181 -5.202 1.00 1.00 H new ATOM 0 HE1 PHE A 82 7.086 2.712 -3.931 1.00 1.00 H new ATOM 0 HE2 PHE A 82 10.302 5.553 -4.054 1.00 1.00 H new ATOM 0 HZ PHE A 82 9.434 3.318 -3.422 1.00 1.00 H new ATOM 1307 N ALA A 83 5.484 8.454 -8.479 1.00 1.00 N ATOM 1308 CA ALA A 83 4.645 9.448 -9.135 1.00 1.00 C ATOM 1309 C ALA A 83 3.888 8.817 -10.292 1.00 1.00 C ATOM 1310 O ALA A 83 2.710 9.105 -10.510 1.00 1.00 O ATOM 1311 CB ALA A 83 5.503 10.602 -9.663 1.00 1.00 C ATOM 0 H ALA A 83 6.469 8.708 -8.408 1.00 1.00 H new ATOM 0 HA ALA A 83 3.934 9.832 -8.404 1.00 1.00 H new ATOM 0 HB1 ALA A 83 4.863 11.337 -10.151 1.00 1.00 H new ATOM 0 HB2 ALA A 83 6.030 11.073 -8.833 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.227 10.218 -10.381 1.00 1.00 H new ATOM 1317 N LYS A 84 4.570 7.958 -11.036 1.00 1.00 N ATOM 1318 CA LYS A 84 3.943 7.301 -12.171 1.00 1.00 C ATOM 1319 C LYS A 84 2.772 6.434 -11.723 1.00 1.00 C ATOM 1320 O LYS A 84 1.628 6.661 -12.117 1.00 1.00 O ATOM 1321 CB LYS A 84 4.976 6.421 -12.903 1.00 1.00 C ATOM 1322 CG LYS A 84 4.464 6.055 -14.323 1.00 1.00 C ATOM 1323 CD LYS A 84 4.847 7.158 -15.350 1.00 1.00 C ATOM 1324 CE LYS A 84 6.234 6.873 -15.935 1.00 1.00 C ATOM 1325 NZ LYS A 84 6.147 5.661 -16.793 1.00 1.00 N ATOM 0 H LYS A 84 5.545 7.703 -10.877 1.00 1.00 H new ATOM 0 HA LYS A 84 3.569 8.072 -12.844 1.00 1.00 H new ATOM 0 HB2 LYS A 84 5.926 6.949 -12.977 1.00 1.00 H new ATOM 0 HB3 LYS A 84 5.160 5.512 -12.330 1.00 1.00 H new ATOM 0 HG2 LYS A 84 4.889 5.100 -14.633 1.00 1.00 H new ATOM 0 HG3 LYS A 84 3.381 5.931 -14.303 1.00 1.00 H new ATOM 0 HD2 LYS A 84 4.107 7.194 -16.149 1.00 1.00 H new ATOM 0 HD3 LYS A 84 4.841 8.135 -14.866 1.00 1.00 H new ATOM 0 HE2 LYS A 84 6.581 7.726 -16.519 1.00 1.00 H new ATOM 0 HE3 LYS A 84 6.958 6.719 -15.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 6.787 4.929 -16.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 5.171 5.302 -16.789 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 6.422 5.904 -17.766 1.00 1.00 H new