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 70 ASN : amide:sc= -8.04! K(o=-24!,f=-6.9) USER MOD Set 1.2: A 72 ASN : amide:sc= -16.1! C(o=-24!,f=-6.9!) USER MOD Set 2.1: A 35 GLN : amide:sc= -4.02! C(o=-8.1!,f=-10!) USER MOD Set 2.2: A 38 GLN : amide:sc= -4.04! C(o=-8.1!,f=-8.5!) USER MOD Set 3.1: A 15 MET CE :methyl -176:sc= 0 (180deg=-0.00523) USER MOD Set 3.2: A 65 LYS NZ :NH3+ 150:sc= -1.82! (180deg=-2.94!) USER MOD Set 4.1: A 9 THR OG1 : rot 120:sc= -0.979 USER MOD Set 4.2: A 11 ASN : amide:sc= -0.525 K(o=-1.5,f=-3.1!) USER MOD Single : A 7 SER OG : rot 20:sc= 0.674 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 13 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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 10:sc= 0.959 USER MOD Single : A 27 SER OG : rot -123:sc= 0.359 USER MOD Single : A 29 THR OG1 : rot -34:sc= 0.297 USER MOD Single : A 30 THR OG1 : rot 50:sc= 1.23 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.15 K(o=-1.1,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 -43:sc= 0.102 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.34 K(o=-1.3,f=0) USER MOD Single : A 77 GLN : amide:sc= -4.44! C(o=-4.4!,f=-1.4!) USER MOD Single : A 80 ASN : amide:sc= -1.63 K(o=-1.6,f=-3!) USER MOD Single : A 81 THR OG1 : rot -130:sc= -0.73 USER MOD Single : A 84 LYS NZ :NH3+ -123:sc= -1.17 (180deg=-3.39!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 4.125 1.552 -2.164 1.00 1.00 N ATOM 21 CA GLU A 2 4.071 3.007 -2.385 1.00 1.00 C ATOM 22 C GLU A 2 4.636 3.742 -1.191 1.00 1.00 C ATOM 23 O GLU A 2 4.100 3.654 -0.087 1.00 1.00 O ATOM 24 CB GLU A 2 2.616 3.448 -2.615 1.00 1.00 C ATOM 25 CG GLU A 2 2.041 2.692 -3.838 1.00 1.00 C ATOM 26 CD GLU A 2 1.575 1.289 -3.433 1.00 1.00 C ATOM 27 OE1 GLU A 2 1.804 0.903 -2.297 1.00 1.00 O ATOM 28 OE2 GLU A 2 1.016 0.611 -4.275 1.00 1.00 O ATOM 0 HA GLU A 2 4.668 3.246 -3.265 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.016 3.240 -1.729 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.572 4.524 -2.784 1.00 1.00 H new ATOM 0 HG2 GLU A 2 1.205 3.252 -4.259 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.800 2.619 -4.617 1.00 1.00 H new ATOM 35 N ILE A 3 5.729 4.464 -1.415 1.00 1.00 N ATOM 36 CA ILE A 3 6.382 5.203 -0.346 1.00 1.00 C ATOM 37 C ILE A 3 5.344 5.985 0.445 1.00 1.00 C ATOM 38 O ILE A 3 4.268 6.291 -0.065 1.00 1.00 O ATOM 39 CB ILE A 3 7.411 6.176 -0.926 1.00 1.00 C ATOM 40 CG1 ILE A 3 8.471 5.383 -1.700 1.00 1.00 C ATOM 41 CG2 ILE A 3 8.082 6.968 0.215 1.00 1.00 C ATOM 42 CD1 ILE A 3 9.384 6.352 -2.454 1.00 1.00 C ATOM 0 H ILE A 3 6.179 4.552 -2.326 1.00 1.00 H new ATOM 0 HA ILE A 3 6.888 4.495 0.310 1.00 1.00 H new ATOM 0 HB ILE A 3 6.914 6.876 -1.598 1.00 1.00 H new ATOM 0 HG12 ILE A 3 9.058 4.774 -1.013 1.00 1.00 H new ATOM 0 HG13 ILE A 3 7.990 4.700 -2.400 1.00 1.00 H new ATOM 0 HG21 ILE A 3 8.814 7.659 -0.203 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.325 7.529 0.763 1.00 1.00 H new ATOM 0 HG23 ILE A 3 8.582 6.276 0.893 1.00 1.00 H new ATOM 0 HD11 ILE A 3 10.138 5.788 -3.004 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.791 6.942 -3.152 1.00 1.00 H new ATOM 0 HD13 ILE A 3 9.875 7.017 -1.743 1.00 1.00 H new ATOM 54 N ILE A 4 5.680 6.296 1.698 1.00 1.00 N ATOM 55 CA ILE A 4 4.768 7.040 2.583 1.00 1.00 C ATOM 56 C ILE A 4 5.465 8.224 3.215 1.00 1.00 C ATOM 57 O ILE A 4 4.866 9.289 3.362 1.00 1.00 O ATOM 58 CB ILE A 4 4.238 6.106 3.683 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.415 4.966 3.035 1.00 1.00 C ATOM 60 CG2 ILE A 4 3.339 6.888 4.662 1.00 1.00 C ATOM 61 CD1 ILE A 4 2.162 5.521 2.306 1.00 1.00 C ATOM 0 H ILE A 4 6.572 6.048 2.126 1.00 1.00 H new ATOM 0 HA ILE A 4 3.938 7.412 1.982 1.00 1.00 H new ATOM 0 HB ILE A 4 5.083 5.691 4.231 1.00 1.00 H new ATOM 0 HG12 ILE A 4 4.039 4.421 2.327 1.00 1.00 H new ATOM 0 HG13 ILE A 4 3.107 4.255 3.802 1.00 1.00 H new ATOM 0 HG21 ILE A 4 2.971 6.214 5.435 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.915 7.690 5.124 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.495 7.314 4.120 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.605 4.696 1.861 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.527 6.044 3.021 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.473 6.213 1.523 1.00 1.00 H new ATOM 73 N ALA A 5 6.713 8.036 3.595 1.00 1.00 N ATOM 74 CA ALA A 5 7.467 9.105 4.230 1.00 1.00 C ATOM 75 C ALA A 5 8.915 8.690 4.402 1.00 1.00 C ATOM 76 O ALA A 5 9.215 7.505 4.510 1.00 1.00 O ATOM 77 CB ALA A 5 6.865 9.425 5.602 1.00 1.00 C ATOM 0 H ALA A 5 7.225 7.162 3.478 1.00 1.00 H new ATOM 0 HA ALA A 5 7.419 9.991 3.596 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.435 10.227 6.071 1.00 1.00 H new ATOM 0 HB2 ALA A 5 5.829 9.740 5.480 1.00 1.00 H new ATOM 0 HB3 ALA A 5 6.902 8.536 6.232 1.00 1.00 H new ATOM 83 N ILE A 6 9.811 9.675 4.442 1.00 1.00 N ATOM 84 CA ILE A 6 11.246 9.412 4.613 1.00 1.00 C ATOM 85 C ILE A 6 11.689 9.871 5.991 1.00 1.00 C ATOM 86 O ILE A 6 11.602 11.053 6.319 1.00 1.00 O ATOM 87 CB ILE A 6 12.042 10.155 3.535 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.567 9.695 2.145 1.00 1.00 C ATOM 89 CG2 ILE A 6 13.538 9.831 3.699 1.00 1.00 C ATOM 90 CD1 ILE A 6 12.176 10.598 1.072 1.00 1.00 C ATOM 0 H ILE A 6 9.572 10.663 4.359 1.00 1.00 H new ATOM 0 HA ILE A 6 11.429 8.342 4.516 1.00 1.00 H new ATOM 0 HB ILE A 6 11.887 11.229 3.635 1.00 1.00 H new ATOM 0 HG12 ILE A 6 11.861 8.659 1.973 1.00 1.00 H new ATOM 0 HG13 ILE A 6 10.479 9.731 2.091 1.00 1.00 H new ATOM 0 HG21 ILE A 6 14.110 10.357 2.935 1.00 1.00 H new ATOM 0 HG22 ILE A 6 13.873 10.149 4.686 1.00 1.00 H new ATOM 0 HG23 ILE A 6 13.692 8.757 3.593 1.00 1.00 H new ATOM 0 HD11 ILE A 6 11.839 10.272 0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 6 11.860 11.628 1.241 1.00 1.00 H new ATOM 0 HD13 ILE A 6 13.263 10.539 1.121 1.00 1.00 H new ATOM 102 N SER A 7 12.183 8.931 6.796 1.00 1.00 N ATOM 103 CA SER A 7 12.657 9.248 8.147 1.00 1.00 C ATOM 104 C SER A 7 14.163 9.487 8.132 1.00 1.00 C ATOM 105 O SER A 7 14.948 8.561 7.933 1.00 1.00 O ATOM 106 CB SER A 7 12.325 8.093 9.092 1.00 1.00 C ATOM 107 OG SER A 7 12.768 6.877 8.513 1.00 1.00 O ATOM 0 H SER A 7 12.266 7.947 6.540 1.00 1.00 H new ATOM 0 HA SER A 7 12.160 10.154 8.495 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.807 8.247 10.058 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.251 8.053 9.274 1.00 1.00 H new ATOM 0 HG SER A 7 13.439 7.068 7.824 1.00 1.00 H new ATOM 113 N GLU A 8 14.560 10.736 8.352 1.00 1.00 N ATOM 114 CA GLU A 8 15.976 11.101 8.370 1.00 1.00 C ATOM 115 C GLU A 8 16.574 10.817 9.727 1.00 1.00 C ATOM 116 O GLU A 8 16.281 11.504 10.705 1.00 1.00 O ATOM 117 CB GLU A 8 16.144 12.583 8.042 1.00 1.00 C ATOM 118 CG GLU A 8 15.618 12.866 6.613 1.00 1.00 C ATOM 119 CD GLU A 8 14.092 13.018 6.617 1.00 1.00 C ATOM 120 OE1 GLU A 8 13.488 12.817 7.659 1.00 1.00 O ATOM 121 OE2 GLU A 8 13.552 13.333 5.576 1.00 1.00 O ATOM 0 H GLU A 8 13.923 11.514 8.521 1.00 1.00 H new ATOM 0 HA GLU A 8 16.493 10.505 7.618 1.00 1.00 H new ATOM 0 HB2 GLU A 8 15.600 13.189 8.766 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.194 12.864 8.115 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.078 13.775 6.224 1.00 1.00 H new ATOM 0 HG3 GLU A 8 15.906 12.053 5.947 1.00 1.00 H new ATOM 128 N THR A 9 17.412 9.798 9.785 1.00 1.00 N ATOM 129 CA THR A 9 18.054 9.411 11.036 1.00 1.00 C ATOM 130 C THR A 9 19.347 10.205 11.232 1.00 1.00 C ATOM 131 O THR A 9 19.942 10.689 10.265 1.00 1.00 O ATOM 132 CB THR A 9 18.371 7.893 11.036 1.00 1.00 C ATOM 133 OG1 THR A 9 19.657 7.654 11.604 1.00 1.00 O ATOM 134 CG2 THR A 9 18.371 7.359 9.606 1.00 1.00 C ATOM 0 H THR A 9 17.666 9.221 8.983 1.00 1.00 H new ATOM 0 HA THR A 9 17.370 9.630 11.856 1.00 1.00 H new ATOM 0 HB THR A 9 17.607 7.387 11.626 1.00 1.00 H new ATOM 0 HG1 THR A 9 19.565 7.077 12.391 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.595 6.292 9.616 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.391 7.520 9.157 1.00 1.00 H new ATOM 0 HG23 THR A 9 19.128 7.883 9.022 1.00 1.00 H new ATOM 142 N PRO A 10 19.802 10.328 12.456 1.00 1.00 N ATOM 143 CA PRO A 10 21.062 11.067 12.776 1.00 1.00 C ATOM 144 C PRO A 10 22.294 10.390 12.174 1.00 1.00 C ATOM 145 O PRO A 10 23.406 10.586 12.652 1.00 1.00 O ATOM 146 CB PRO A 10 21.115 11.054 14.327 1.00 1.00 C ATOM 147 CG PRO A 10 20.257 9.888 14.732 1.00 1.00 C ATOM 148 CD PRO A 10 19.167 9.785 13.677 1.00 1.00 C ATOM 0 HA PRO A 10 21.065 12.074 12.359 1.00 1.00 H new ATOM 0 HB2 PRO A 10 22.137 10.936 14.687 1.00 1.00 H new ATOM 0 HB3 PRO A 10 20.736 11.987 14.743 1.00 1.00 H new ATOM 0 HG2 PRO A 10 20.843 8.970 14.779 1.00 1.00 H new ATOM 0 HG3 PRO A 10 19.829 10.044 15.722 1.00 1.00 H new ATOM 0 HD2 PRO A 10 18.845 8.754 13.535 1.00 1.00 H new ATOM 0 HD3 PRO A 10 18.284 10.359 13.957 1.00 1.00 H new ATOM 156 N ASN A 11 22.092 9.600 11.125 1.00 1.00 N ATOM 157 CA ASN A 11 23.196 8.907 10.473 1.00 1.00 C ATOM 158 C ASN A 11 23.785 9.793 9.390 1.00 1.00 C ATOM 159 O ASN A 11 23.476 10.982 9.319 1.00 1.00 O ATOM 160 CB ASN A 11 22.697 7.602 9.861 1.00 1.00 C ATOM 161 CG ASN A 11 22.285 6.635 10.965 1.00 1.00 C ATOM 162 OD1 ASN A 11 22.697 6.792 12.113 1.00 1.00 O ATOM 163 ND2 ASN A 11 21.495 5.638 10.682 1.00 1.00 N ATOM 0 H ASN A 11 21.177 9.424 10.710 1.00 1.00 H new ATOM 0 HA ASN A 11 23.966 8.682 11.211 1.00 1.00 H new ATOM 0 HB2 ASN A 11 21.850 7.799 9.204 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.480 7.155 9.248 1.00 1.00 H new ATOM 0 HD21 ASN A 11 21.216 4.985 11.414 1.00 1.00 H new ATOM 0 HD22 ASN A 11 21.155 5.511 9.729 1.00 1.00 H new ATOM 170 N HIS A 12 24.643 9.207 8.554 1.00 1.00 N ATOM 171 CA HIS A 12 25.293 9.950 7.469 1.00 1.00 C ATOM 172 C HIS A 12 24.777 9.504 6.110 1.00 1.00 C ATOM 173 O HIS A 12 24.068 10.245 5.438 1.00 1.00 O ATOM 174 CB HIS A 12 26.807 9.730 7.534 1.00 1.00 C ATOM 175 CG HIS A 12 27.481 10.597 6.506 1.00 1.00 C ATOM 176 ND1 HIS A 12 27.986 10.084 5.324 1.00 1.00 N ATOM 177 CD2 HIS A 12 27.733 11.946 6.470 1.00 1.00 C ATOM 178 CE1 HIS A 12 28.513 11.110 4.630 1.00 1.00 C ATOM 179 NE2 HIS A 12 28.386 12.268 5.284 1.00 1.00 N ATOM 0 H HIS A 12 24.905 8.223 8.605 1.00 1.00 H new ATOM 0 HA HIS A 12 25.062 11.008 7.594 1.00 1.00 H new ATOM 0 HB2 HIS A 12 27.179 9.972 8.530 1.00 1.00 H new ATOM 0 HB3 HIS A 12 27.042 8.681 7.352 1.00 1.00 H new ATOM 0 HD2 HIS A 12 27.465 12.650 7.244 1.00 1.00 H new ATOM 0 HE1 HIS A 12 28.982 11.009 3.662 1.00 1.00 H new ATOM 0 HE2 HIS A 12 28.700 13.190 4.980 1.00 1.00 H new ATOM 188 N ASN A 13 25.155 8.293 5.706 1.00 1.00 N ATOM 189 CA ASN A 13 24.744 7.745 4.403 1.00 1.00 C ATOM 190 C ASN A 13 23.694 6.664 4.573 1.00 1.00 C ATOM 191 O ASN A 13 23.374 5.955 3.628 1.00 1.00 O ATOM 192 CB ASN A 13 25.959 7.177 3.682 1.00 1.00 C ATOM 193 CG ASN A 13 26.503 5.962 4.428 1.00 1.00 C ATOM 194 OD1 ASN A 13 25.888 4.896 4.412 1.00 1.00 O ATOM 195 ND2 ASN A 13 27.616 6.063 5.095 1.00 1.00 N ATOM 0 H ASN A 13 25.744 7.669 6.257 1.00 1.00 H new ATOM 0 HA ASN A 13 24.309 8.551 3.812 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.687 6.895 2.665 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.733 7.940 3.605 1.00 1.00 H new ATOM 0 HD21 ASN A 13 27.980 5.258 5.605 1.00 1.00 H new ATOM 0 HD22 ASN A 13 28.125 6.947 5.107 1.00 1.00 H new ATOM 202 N THR A 14 23.150 6.540 5.784 1.00 1.00 N ATOM 203 CA THR A 14 22.119 5.531 6.070 1.00 1.00 C ATOM 204 C THR A 14 20.807 6.210 6.416 1.00 1.00 C ATOM 205 O THR A 14 20.771 7.127 7.229 1.00 1.00 O ATOM 206 CB THR A 14 22.566 4.648 7.238 1.00 1.00 C ATOM 207 OG1 THR A 14 23.818 4.052 6.924 1.00 1.00 O ATOM 208 CG2 THR A 14 21.522 3.552 7.474 1.00 1.00 C ATOM 0 H THR A 14 23.402 7.122 6.583 1.00 1.00 H new ATOM 0 HA THR A 14 21.976 4.912 5.184 1.00 1.00 H new ATOM 0 HB THR A 14 22.667 5.254 8.139 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.108 3.487 7.671 1.00 1.00 H new ATOM 0 HG21 THR A 14 21.838 2.922 8.305 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.561 4.009 7.710 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.423 2.944 6.575 1.00 1.00 H new ATOM 216 N MET A 15 19.727 5.759 5.788 1.00 1.00 N ATOM 217 CA MET A 15 18.402 6.329 6.036 1.00 1.00 C ATOM 218 C MET A 15 17.353 5.236 6.019 1.00 1.00 C ATOM 219 O MET A 15 17.497 4.242 5.308 1.00 1.00 O ATOM 220 CB MET A 15 18.075 7.373 4.971 1.00 1.00 C ATOM 221 CG MET A 15 18.179 6.745 3.581 1.00 1.00 C ATOM 222 SD MET A 15 17.978 8.032 2.324 1.00 1.00 S ATOM 223 CE MET A 15 17.427 6.954 0.979 1.00 1.00 C ATOM 0 H MET A 15 19.740 5.002 5.104 1.00 1.00 H new ATOM 0 HA MET A 15 18.403 6.806 7.016 1.00 1.00 H new ATOM 0 HB2 MET A 15 17.070 7.765 5.129 1.00 1.00 H new ATOM 0 HB3 MET A 15 18.762 8.216 5.052 1.00 1.00 H new ATOM 0 HG2 MET A 15 19.145 6.254 3.463 1.00 1.00 H new ATOM 0 HG3 MET A 15 17.414 5.978 3.458 1.00 1.00 H new ATOM 0 HE1 MET A 15 17.309 7.540 0.068 1.00 1.00 H new ATOM 0 HE2 MET A 15 18.167 6.171 0.814 1.00 1.00 H new ATOM 0 HE3 MET A 15 16.472 6.500 1.244 1.00 1.00 H new ATOM 233 N LYS A 16 16.293 5.430 6.802 1.00 1.00 N ATOM 234 CA LYS A 16 15.201 4.452 6.876 1.00 1.00 C ATOM 235 C LYS A 16 13.992 4.966 6.120 1.00 1.00 C ATOM 236 O LYS A 16 13.565 6.102 6.323 1.00 1.00 O ATOM 237 CB LYS A 16 14.822 4.196 8.348 1.00 1.00 C ATOM 238 CG LYS A 16 14.061 2.874 8.466 1.00 1.00 C ATOM 239 CD LYS A 16 13.793 2.573 9.936 1.00 1.00 C ATOM 240 CE LYS A 16 13.033 1.252 10.048 1.00 1.00 C ATOM 241 NZ LYS A 16 12.802 0.932 11.483 1.00 1.00 N ATOM 0 H LYS A 16 16.164 6.251 7.393 1.00 1.00 H new ATOM 0 HA LYS A 16 15.534 3.518 6.424 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.721 4.165 8.964 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.207 5.015 8.722 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.120 2.933 7.918 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.641 2.067 8.018 1.00 1.00 H new ATOM 0 HD2 LYS A 16 14.733 2.513 10.485 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.213 3.379 10.385 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.081 1.322 9.522 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.601 0.452 9.573 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.285 0.033 11.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.716 0.848 11.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 12.243 1.691 11.922 1.00 1.00 H new ATOM 255 N VAL A 17 13.423 4.115 5.261 1.00 1.00 N ATOM 256 CA VAL A 17 12.236 4.491 4.484 1.00 1.00 C ATOM 257 C VAL A 17 11.019 3.738 5.002 1.00 1.00 C ATOM 258 O VAL A 17 10.919 2.525 4.846 1.00 1.00 O ATOM 259 CB VAL A 17 12.463 4.167 3.012 1.00 1.00 C ATOM 260 CG1 VAL A 17 11.231 4.585 2.197 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.687 4.933 2.508 1.00 1.00 C ATOM 0 H VAL A 17 13.761 3.169 5.086 1.00 1.00 H new ATOM 0 HA VAL A 17 12.060 5.561 4.591 1.00 1.00 H new ATOM 0 HB VAL A 17 12.627 3.096 2.898 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.395 4.353 1.145 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.356 4.043 2.556 1.00 1.00 H new ATOM 0 HG13 VAL A 17 11.066 5.656 2.311 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.852 4.703 1.455 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.519 6.004 2.624 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.564 4.639 3.085 1.00 1.00 H new ATOM 271 N SER A 18 10.091 4.468 5.622 1.00 1.00 N ATOM 272 CA SER A 18 8.873 3.870 6.161 1.00 1.00 C ATOM 273 C SER A 18 7.764 3.889 5.112 1.00 1.00 C ATOM 274 O SER A 18 7.475 4.929 4.519 1.00 1.00 O ATOM 275 CB SER A 18 8.429 4.652 7.403 1.00 1.00 C ATOM 276 OG SER A 18 9.567 4.991 8.173 1.00 1.00 O ATOM 0 H SER A 18 10.162 5.476 5.763 1.00 1.00 H new ATOM 0 HA SER A 18 9.075 2.834 6.435 1.00 1.00 H new ATOM 0 HB2 SER A 18 7.894 5.554 7.107 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.739 4.053 7.997 1.00 1.00 H new ATOM 0 HG SER A 18 9.287 5.493 8.967 1.00 1.00 H new ATOM 282 N LEU A 19 7.150 2.735 4.890 1.00 1.00 N ATOM 283 CA LEU A 19 6.078 2.620 3.909 1.00 1.00 C ATOM 284 C LEU A 19 5.390 1.264 4.013 1.00 1.00 C ATOM 285 O LEU A 19 5.939 0.320 4.569 1.00 1.00 O ATOM 286 CB LEU A 19 6.649 2.809 2.488 1.00 1.00 C ATOM 287 CG LEU A 19 7.486 1.579 2.067 1.00 1.00 C ATOM 288 CD1 LEU A 19 8.055 1.797 0.673 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.624 1.342 3.079 1.00 1.00 C ATOM 0 H LEU A 19 7.375 1.866 5.375 1.00 1.00 H new ATOM 0 HA LEU A 19 5.340 3.396 4.112 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.834 2.960 1.780 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.269 3.705 2.456 1.00 1.00 H new ATOM 0 HG LEU A 19 6.845 0.698 2.053 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.644 0.928 0.380 1.00 1.00 H new ATOM 0 HD12 LEU A 19 7.239 1.937 -0.035 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.691 2.682 0.674 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.208 0.474 2.774 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.270 2.220 3.113 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.201 1.165 4.068 1.00 1.00 H new ATOM 301 N SER A 20 4.198 1.169 3.444 1.00 1.00 N ATOM 302 CA SER A 20 3.457 -0.087 3.454 1.00 1.00 C ATOM 303 C SER A 20 3.976 -1.024 2.367 1.00 1.00 C ATOM 304 O SER A 20 3.757 -0.793 1.181 1.00 1.00 O ATOM 305 CB SER A 20 1.975 0.186 3.216 1.00 1.00 C ATOM 306 OG SER A 20 1.780 0.599 1.869 1.00 1.00 O ATOM 0 H SER A 20 3.724 1.939 2.972 1.00 1.00 H new ATOM 0 HA SER A 20 3.594 -0.560 4.426 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.391 -0.712 3.421 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.622 0.958 3.899 1.00 1.00 H new ATOM 0 HG SER A 20 2.608 0.464 1.362 1.00 1.00 H new ATOM 312 N GLU A 21 4.660 -2.092 2.785 1.00 1.00 N ATOM 313 CA GLU A 21 5.209 -3.088 1.849 1.00 1.00 C ATOM 314 C GLU A 21 4.955 -4.503 2.368 1.00 1.00 C ATOM 315 O GLU A 21 5.876 -5.305 2.494 1.00 1.00 O ATOM 316 CB GLU A 21 6.713 -2.835 1.663 1.00 1.00 C ATOM 317 CG GLU A 21 6.933 -1.730 0.600 1.00 1.00 C ATOM 318 CD GLU A 21 6.938 -2.347 -0.796 1.00 1.00 C ATOM 319 OE1 GLU A 21 6.122 -3.222 -1.041 1.00 1.00 O ATOM 320 OE2 GLU A 21 7.759 -1.938 -1.597 1.00 1.00 O ATOM 0 H GLU A 21 4.849 -2.293 3.767 1.00 1.00 H new ATOM 0 HA GLU A 21 4.712 -2.992 0.884 1.00 1.00 H new ATOM 0 HB2 GLU A 21 7.160 -2.535 2.611 1.00 1.00 H new ATOM 0 HB3 GLU A 21 7.210 -3.754 1.353 1.00 1.00 H new ATOM 0 HG2 GLU A 21 6.145 -0.981 0.673 1.00 1.00 H new ATOM 0 HG3 GLU A 21 7.878 -1.218 0.785 1.00 1.00 H new ATOM 408 N SER A 27 10.560 -11.809 5.407 1.00 1.00 N ATOM 409 CA SER A 27 11.881 -12.314 5.729 1.00 1.00 C ATOM 410 C SER A 27 12.944 -11.332 5.267 1.00 1.00 C ATOM 411 O SER A 27 12.645 -10.175 4.995 1.00 1.00 O ATOM 412 CB SER A 27 12.097 -13.669 5.056 1.00 1.00 C ATOM 413 OG SER A 27 13.309 -14.240 5.534 1.00 1.00 O ATOM 0 HA SER A 27 11.959 -12.435 6.809 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.259 -14.333 5.270 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.140 -13.548 3.974 1.00 1.00 H new ATOM 0 HG SER A 27 13.903 -14.428 4.777 1.00 1.00 H new ATOM 419 N PHE A 28 14.176 -11.800 5.177 1.00 1.00 N ATOM 420 CA PHE A 28 15.289 -10.956 4.739 1.00 1.00 C ATOM 421 C PHE A 28 15.683 -11.295 3.306 1.00 1.00 C ATOM 422 O PHE A 28 15.733 -12.463 2.919 1.00 1.00 O ATOM 423 CB PHE A 28 16.505 -11.172 5.664 1.00 1.00 C ATOM 424 CG PHE A 28 16.241 -10.529 7.009 1.00 1.00 C ATOM 425 CD1 PHE A 28 15.594 -11.252 8.019 1.00 1.00 C ATOM 426 CD2 PHE A 28 16.641 -9.207 7.243 1.00 1.00 C ATOM 427 CE1 PHE A 28 15.348 -10.655 9.260 1.00 1.00 C ATOM 428 CE2 PHE A 28 16.396 -8.609 8.484 1.00 1.00 C ATOM 429 CZ PHE A 28 15.750 -9.334 9.493 1.00 1.00 C ATOM 0 H PHE A 28 14.438 -12.760 5.400 1.00 1.00 H new ATOM 0 HA PHE A 28 14.971 -9.914 4.785 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.694 -12.238 5.790 1.00 1.00 H new ATOM 0 HB3 PHE A 28 17.399 -10.741 5.213 1.00 1.00 H new ATOM 0 HD1 PHE A 28 15.285 -12.271 7.840 1.00 1.00 H new ATOM 0 HD2 PHE A 28 17.139 -8.649 6.464 1.00 1.00 H new ATOM 0 HE1 PHE A 28 14.848 -11.213 10.038 1.00 1.00 H new ATOM 0 HE2 PHE A 28 16.705 -7.590 8.663 1.00 1.00 H new ATOM 0 HZ PHE A 28 15.562 -8.874 10.452 1.00 1.00 H new ATOM 439 N THR A 29 15.974 -10.260 2.528 1.00 1.00 N ATOM 440 CA THR A 29 16.377 -10.448 1.138 1.00 1.00 C ATOM 441 C THR A 29 16.991 -9.173 0.593 1.00 1.00 C ATOM 442 O THR A 29 16.286 -8.197 0.346 1.00 1.00 O ATOM 443 CB THR A 29 15.163 -10.837 0.292 1.00 1.00 C ATOM 444 OG1 THR A 29 14.498 -11.934 0.901 1.00 1.00 O ATOM 445 CG2 THR A 29 15.622 -11.231 -1.113 1.00 1.00 C ATOM 0 H THR A 29 15.939 -9.287 2.832 1.00 1.00 H new ATOM 0 HA THR A 29 17.118 -11.246 1.093 1.00 1.00 H new ATOM 0 HB THR A 29 14.480 -9.990 0.223 1.00 1.00 H new ATOM 0 HG1 THR A 29 15.156 -12.513 1.340 1.00 1.00 H new ATOM 0 HG21 THR A 29 14.756 -11.508 -1.714 1.00 1.00 H new ATOM 0 HG22 THR A 29 16.133 -10.388 -1.579 1.00 1.00 H new ATOM 0 HG23 THR A 29 16.305 -12.078 -1.048 1.00 1.00 H new ATOM 453 N THR A 30 18.311 -9.183 0.414 1.00 1.00 N ATOM 454 CA THR A 30 19.026 -8.015 -0.100 1.00 1.00 C ATOM 455 C THR A 30 19.443 -8.217 -1.545 1.00 1.00 C ATOM 456 O THR A 30 19.996 -9.248 -1.911 1.00 1.00 O ATOM 457 CB THR A 30 20.275 -7.755 0.753 1.00 1.00 C ATOM 458 OG1 THR A 30 21.128 -6.847 0.070 1.00 1.00 O ATOM 459 CG2 THR A 30 21.017 -9.072 0.994 1.00 1.00 C ATOM 0 H THR A 30 18.907 -9.986 0.617 1.00 1.00 H new ATOM 0 HA THR A 30 18.353 -7.159 -0.049 1.00 1.00 H new ATOM 0 HB THR A 30 19.979 -7.329 1.712 1.00 1.00 H new ATOM 0 HG1 THR A 30 20.610 -6.068 -0.222 1.00 1.00 H new ATOM 0 HG21 THR A 30 21.903 -8.885 1.600 1.00 1.00 H new ATOM 0 HG22 THR A 30 20.361 -9.769 1.516 1.00 1.00 H new ATOM 0 HG23 THR A 30 21.315 -9.502 0.038 1.00 1.00 H new ATOM 467 N TYR A 31 19.162 -7.221 -2.378 1.00 1.00 N ATOM 468 CA TYR A 31 19.506 -7.285 -3.807 1.00 1.00 C ATOM 469 C TYR A 31 19.973 -5.920 -4.300 1.00 1.00 C ATOM 470 O TYR A 31 19.831 -4.912 -3.610 1.00 1.00 O ATOM 471 CB TYR A 31 18.287 -7.768 -4.628 1.00 1.00 C ATOM 472 CG TYR A 31 17.004 -7.391 -3.904 1.00 1.00 C ATOM 473 CD1 TYR A 31 16.746 -6.046 -3.592 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.077 -8.376 -3.539 1.00 1.00 C ATOM 475 CE1 TYR A 31 15.575 -5.694 -2.922 1.00 1.00 C ATOM 476 CE2 TYR A 31 14.908 -8.022 -2.870 1.00 1.00 C ATOM 477 CZ TYR A 31 14.651 -6.682 -2.564 1.00 1.00 C ATOM 478 OH TYR A 31 13.492 -6.335 -1.905 1.00 1.00 O ATOM 0 H TYR A 31 18.698 -6.358 -2.096 1.00 1.00 H new ATOM 0 HA TYR A 31 20.320 -7.998 -3.940 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.302 -7.318 -5.620 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.334 -8.848 -4.767 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.457 -5.282 -3.872 1.00 1.00 H new ATOM 0 HD2 TYR A 31 16.269 -9.412 -3.777 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.381 -4.660 -2.680 1.00 1.00 H new ATOM 0 HE2 TYR A 31 14.198 -8.785 -2.587 1.00 1.00 H new ATOM 0 HH TYR A 31 12.961 -7.140 -1.731 1.00 1.00 H new ATOM 488 N THR A 32 20.491 -5.903 -5.516 1.00 1.00 N ATOM 489 CA THR A 32 20.937 -4.659 -6.126 1.00 1.00 C ATOM 490 C THR A 32 21.202 -4.855 -7.613 1.00 1.00 C ATOM 491 O THR A 32 22.140 -5.549 -8.001 1.00 1.00 O ATOM 492 CB THR A 32 22.230 -4.185 -5.440 1.00 1.00 C ATOM 493 OG1 THR A 32 22.943 -3.316 -6.305 1.00 1.00 O ATOM 494 CG2 THR A 32 23.107 -5.395 -5.088 1.00 1.00 C ATOM 0 H THR A 32 20.613 -6.731 -6.099 1.00 1.00 H new ATOM 0 HA THR A 32 20.153 -3.912 -6.003 1.00 1.00 H new ATOM 0 HB THR A 32 21.972 -3.650 -4.526 1.00 1.00 H new ATOM 0 HG1 THR A 32 23.764 -3.016 -5.863 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.021 -5.053 -4.603 1.00 1.00 H new ATOM 0 HG22 THR A 32 22.562 -6.055 -4.413 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.361 -5.937 -5.999 1.00 1.00 H new ATOM 502 N ALA A 33 20.384 -4.213 -8.445 1.00 1.00 N ATOM 503 CA ALA A 33 20.550 -4.298 -9.892 1.00 1.00 C ATOM 504 C ALA A 33 19.328 -3.734 -10.608 1.00 1.00 C ATOM 505 O ALA A 33 18.204 -4.168 -10.358 1.00 1.00 O ATOM 506 CB ALA A 33 20.781 -5.774 -10.321 1.00 1.00 C ATOM 0 H ALA A 33 19.603 -3.631 -8.142 1.00 1.00 H new ATOM 0 HA ALA A 33 21.421 -3.706 -10.172 1.00 1.00 H new ATOM 0 HB1 ALA A 33 20.903 -5.824 -11.403 1.00 1.00 H new ATOM 0 HB2 ALA A 33 21.679 -6.158 -9.836 1.00 1.00 H new ATOM 0 HB3 ALA A 33 19.923 -6.377 -10.025 1.00 1.00 H new ATOM 512 N ALA A 34 19.552 -2.798 -11.521 1.00 1.00 N ATOM 513 CA ALA A 34 18.459 -2.218 -12.297 1.00 1.00 C ATOM 514 C ALA A 34 18.112 -3.118 -13.482 1.00 1.00 C ATOM 515 O ALA A 34 18.969 -3.461 -14.294 1.00 1.00 O ATOM 516 CB ALA A 34 18.860 -0.829 -12.799 1.00 1.00 C ATOM 0 H ALA A 34 20.475 -2.424 -11.743 1.00 1.00 H new ATOM 0 HA ALA A 34 17.582 -2.130 -11.656 1.00 1.00 H new ATOM 0 HB1 ALA A 34 18.041 -0.401 -13.377 1.00 1.00 H new ATOM 0 HB2 ALA A 34 19.080 -0.184 -11.948 1.00 1.00 H new ATOM 0 HB3 ALA A 34 19.745 -0.912 -13.430 1.00 1.00 H new ATOM 522 N GLN A 35 16.837 -3.478 -13.578 1.00 1.00 N ATOM 523 CA GLN A 35 16.366 -4.324 -14.672 1.00 1.00 C ATOM 524 C GLN A 35 14.845 -4.333 -14.728 1.00 1.00 C ATOM 525 O GLN A 35 14.179 -3.838 -13.823 1.00 1.00 O ATOM 526 CB GLN A 35 16.893 -5.748 -14.493 1.00 1.00 C ATOM 527 CG GLN A 35 16.411 -6.309 -13.153 1.00 1.00 C ATOM 528 CD GLN A 35 17.057 -7.662 -12.891 1.00 1.00 C ATOM 529 OE1 GLN A 35 16.409 -8.697 -13.040 1.00 1.00 O ATOM 530 NE2 GLN A 35 18.299 -7.717 -12.498 1.00 1.00 N ATOM 0 H GLN A 35 16.113 -3.200 -12.916 1.00 1.00 H new ATOM 0 HA GLN A 35 16.742 -3.918 -15.611 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.545 -6.381 -15.310 1.00 1.00 H new ATOM 0 HB3 GLN A 35 17.982 -5.751 -14.529 1.00 1.00 H new ATOM 0 HG2 GLN A 35 16.660 -5.616 -12.349 1.00 1.00 H new ATOM 0 HG3 GLN A 35 15.326 -6.411 -13.161 1.00 1.00 H new ATOM 0 HE21 GLN A 35 18.834 -6.857 -12.375 1.00 1.00 H new ATOM 0 HE22 GLN A 35 18.736 -8.620 -12.313 1.00 1.00 H new ATOM 539 N GLU A 36 14.299 -4.903 -15.798 1.00 1.00 N ATOM 540 CA GLU A 36 12.847 -4.975 -15.966 1.00 1.00 C ATOM 541 C GLU A 36 12.281 -6.177 -15.222 1.00 1.00 C ATOM 542 O GLU A 36 12.897 -7.241 -15.179 1.00 1.00 O ATOM 543 CB GLU A 36 12.502 -5.089 -17.451 1.00 1.00 C ATOM 544 CG GLU A 36 12.880 -3.790 -18.165 1.00 1.00 C ATOM 545 CD GLU A 36 12.617 -3.917 -19.663 1.00 1.00 C ATOM 546 OE1 GLU A 36 12.162 -4.969 -20.084 1.00 1.00 O ATOM 547 OE2 GLU A 36 12.875 -2.958 -20.370 1.00 1.00 O ATOM 0 H GLU A 36 14.835 -5.320 -16.559 1.00 1.00 H new ATOM 0 HA GLU A 36 12.407 -4.066 -15.556 1.00 1.00 H new ATOM 0 HB2 GLU A 36 13.036 -5.929 -17.896 1.00 1.00 H new ATOM 0 HB3 GLU A 36 11.437 -5.287 -17.574 1.00 1.00 H new ATOM 0 HG2 GLU A 36 12.303 -2.960 -17.756 1.00 1.00 H new ATOM 0 HG3 GLU A 36 13.932 -3.563 -17.991 1.00 1.00 H new ATOM 554 N GLY A 37 11.097 -6.001 -14.640 1.00 1.00 N ATOM 555 CA GLY A 37 10.432 -7.075 -13.901 1.00 1.00 C ATOM 556 C GLY A 37 10.676 -6.937 -12.415 1.00 1.00 C ATOM 557 O GLY A 37 9.866 -7.386 -11.601 1.00 1.00 O ATOM 0 H GLY A 37 10.577 -5.124 -14.665 1.00 1.00 H new ATOM 0 HA2 GLY A 37 9.361 -7.051 -14.102 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.800 -8.041 -14.246 1.00 1.00 H new ATOM 561 N GLN A 38 11.801 -6.312 -12.053 1.00 1.00 N ATOM 562 CA GLN A 38 12.142 -6.130 -10.648 1.00 1.00 C ATOM 563 C GLN A 38 11.664 -4.761 -10.147 1.00 1.00 C ATOM 564 O GLN A 38 11.648 -3.791 -10.907 1.00 1.00 O ATOM 565 CB GLN A 38 13.657 -6.257 -10.442 1.00 1.00 C ATOM 566 CG GLN A 38 14.069 -7.722 -10.604 1.00 1.00 C ATOM 567 CD GLN A 38 15.561 -7.871 -10.377 1.00 1.00 C ATOM 568 OE1 GLN A 38 16.250 -6.884 -10.115 1.00 1.00 O ATOM 569 NE2 GLN A 38 16.106 -9.051 -10.458 1.00 1.00 N ATOM 0 H GLN A 38 12.481 -5.929 -12.709 1.00 1.00 H new ATOM 0 HA GLN A 38 11.639 -6.909 -10.075 1.00 1.00 H new ATOM 0 HB2 GLN A 38 14.187 -5.636 -11.164 1.00 1.00 H new ATOM 0 HB3 GLN A 38 13.932 -5.898 -9.450 1.00 1.00 H new ATOM 0 HG2 GLN A 38 13.521 -8.343 -9.895 1.00 1.00 H new ATOM 0 HG3 GLN A 38 13.808 -8.073 -11.602 1.00 1.00 H new ATOM 0 HE21 GLN A 38 15.531 -9.865 -10.675 1.00 1.00 H new ATOM 0 HE22 GLN A 38 17.108 -9.162 -10.304 1.00 1.00 H new ATOM 578 N PRO A 39 11.294 -4.661 -8.889 1.00 1.00 N ATOM 579 CA PRO A 39 10.823 -3.381 -8.289 1.00 1.00 C ATOM 580 C PRO A 39 11.646 -2.175 -8.758 1.00 1.00 C ATOM 581 O PRO A 39 12.860 -2.122 -8.566 1.00 1.00 O ATOM 582 CB PRO A 39 11.016 -3.618 -6.778 1.00 1.00 C ATOM 583 CG PRO A 39 10.846 -5.098 -6.586 1.00 1.00 C ATOM 584 CD PRO A 39 11.265 -5.759 -7.897 1.00 1.00 C ATOM 0 HA PRO A 39 9.798 -3.144 -8.574 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.002 -3.289 -6.451 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.284 -3.059 -6.195 1.00 1.00 H new ATOM 0 HG2 PRO A 39 11.460 -5.454 -5.759 1.00 1.00 H new ATOM 0 HG3 PRO A 39 9.812 -5.341 -6.343 1.00 1.00 H new ATOM 0 HD2 PRO A 39 12.242 -6.233 -7.805 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.560 -6.537 -8.190 1.00 1.00 H new ATOM 592 N GLU A 40 10.969 -1.216 -9.368 1.00 1.00 N ATOM 593 CA GLU A 40 11.639 -0.016 -9.857 1.00 1.00 C ATOM 594 C GLU A 40 12.184 0.802 -8.688 1.00 1.00 C ATOM 595 O GLU A 40 13.133 1.569 -8.846 1.00 1.00 O ATOM 596 CB GLU A 40 10.657 0.837 -10.666 1.00 1.00 C ATOM 597 CG GLU A 40 10.295 0.112 -11.964 1.00 1.00 C ATOM 598 CD GLU A 40 9.228 0.895 -12.724 1.00 1.00 C ATOM 599 OE1 GLU A 40 8.827 1.945 -12.243 1.00 1.00 O ATOM 600 OE2 GLU A 40 8.824 0.433 -13.778 1.00 1.00 O ATOM 0 H GLU A 40 9.963 -1.241 -9.537 1.00 1.00 H new ATOM 0 HA GLU A 40 12.469 -0.317 -10.496 1.00 1.00 H new ATOM 0 HB2 GLU A 40 9.757 1.027 -10.081 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.102 1.806 -10.891 1.00 1.00 H new ATOM 0 HG2 GLU A 40 11.183 -0.003 -12.585 1.00 1.00 H new ATOM 0 HG3 GLU A 40 9.931 -0.891 -11.740 1.00 1.00 H new ATOM 607 N PHE A 41 11.573 0.635 -7.522 1.00 1.00 N ATOM 608 CA PHE A 41 11.997 1.365 -6.335 1.00 1.00 C ATOM 609 C PHE A 41 13.426 1.008 -5.970 1.00 1.00 C ATOM 610 O PHE A 41 14.072 1.735 -5.227 1.00 1.00 O ATOM 611 CB PHE A 41 11.079 1.037 -5.159 1.00 1.00 C ATOM 612 CG PHE A 41 9.664 1.451 -5.502 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.221 2.748 -5.209 1.00 1.00 C ATOM 614 CD2 PHE A 41 8.795 0.537 -6.114 1.00 1.00 C ATOM 615 CE1 PHE A 41 7.913 3.129 -5.526 1.00 1.00 C ATOM 616 CE2 PHE A 41 7.487 0.920 -6.431 1.00 1.00 C ATOM 617 CZ PHE A 41 7.046 2.215 -6.137 1.00 1.00 C ATOM 0 H PHE A 41 10.786 0.003 -7.373 1.00 1.00 H new ATOM 0 HA PHE A 41 11.941 2.431 -6.554 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.116 -0.030 -4.940 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.416 1.558 -4.263 1.00 1.00 H new ATOM 0 HD1 PHE A 41 9.890 3.453 -4.738 1.00 1.00 H new ATOM 0 HD2 PHE A 41 9.135 -0.463 -6.341 1.00 1.00 H new ATOM 0 HE1 PHE A 41 7.572 4.128 -5.299 1.00 1.00 H new ATOM 0 HE2 PHE A 41 6.818 0.216 -6.903 1.00 1.00 H new ATOM 0 HZ PHE A 41 6.036 2.510 -6.382 1.00 1.00 H new ATOM 627 N ILE A 42 13.909 -0.121 -6.493 1.00 1.00 N ATOM 628 CA ILE A 42 15.279 -0.582 -6.222 1.00 1.00 C ATOM 629 C ILE A 42 16.185 -0.287 -7.400 1.00 1.00 C ATOM 630 O ILE A 42 17.372 -0.043 -7.227 1.00 1.00 O ATOM 631 CB ILE A 42 15.274 -2.085 -5.938 1.00 1.00 C ATOM 632 CG1 ILE A 42 14.338 -2.376 -4.749 1.00 1.00 C ATOM 633 CG2 ILE A 42 16.697 -2.553 -5.598 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.806 -1.645 -3.469 1.00 1.00 C ATOM 0 H ILE A 42 13.374 -0.735 -7.107 1.00 1.00 H new ATOM 0 HA ILE A 42 15.658 -0.049 -5.350 1.00 1.00 H new ATOM 0 HB ILE A 42 14.922 -2.620 -6.820 1.00 1.00 H new ATOM 0 HG12 ILE A 42 13.324 -2.064 -4.998 1.00 1.00 H new ATOM 0 HG13 ILE A 42 14.305 -3.450 -4.565 1.00 1.00 H new ATOM 0 HG21 ILE A 42 16.689 -3.624 -5.396 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.359 -2.347 -6.439 1.00 1.00 H new ATOM 0 HG23 ILE A 42 17.054 -2.020 -4.717 1.00 1.00 H new ATOM 0 HD11 ILE A 42 14.123 -1.872 -2.650 1.00 1.00 H new ATOM 0 HD12 ILE A 42 15.811 -1.977 -3.207 1.00 1.00 H new ATOM 0 HD13 ILE A 42 14.814 -0.570 -3.647 1.00 1.00 H new ATOM 646 N ASN A 43 15.634 -0.343 -8.597 1.00 1.00 N ATOM 647 CA ASN A 43 16.425 -0.100 -9.791 1.00 1.00 C ATOM 648 C ASN A 43 16.965 1.325 -9.814 1.00 1.00 C ATOM 649 O ASN A 43 18.092 1.565 -10.253 1.00 1.00 O ATOM 650 CB ASN A 43 15.574 -0.348 -11.040 1.00 1.00 C ATOM 651 CG ASN A 43 15.034 -1.774 -11.033 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.582 -2.643 -10.355 1.00 1.00 O ATOM 653 ND2 ASN A 43 13.989 -2.070 -11.756 1.00 1.00 N ATOM 0 H ASN A 43 14.651 -0.553 -8.770 1.00 1.00 H new ATOM 0 HA ASN A 43 17.271 -0.787 -9.781 1.00 1.00 H new ATOM 0 HB2 ASN A 43 14.747 0.362 -11.073 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.172 -0.182 -11.936 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.625 -3.023 -11.760 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.536 -1.349 -12.317 1.00 1.00 H new ATOM 660 N ARG A 44 16.150 2.267 -9.362 1.00 1.00 N ATOM 661 CA ARG A 44 16.552 3.665 -9.353 1.00 1.00 C ATOM 662 C ARG A 44 17.790 3.871 -8.501 1.00 1.00 C ATOM 663 O ARG A 44 18.605 4.743 -8.785 1.00 1.00 O ATOM 664 CB ARG A 44 15.396 4.517 -8.813 1.00 1.00 C ATOM 665 CG ARG A 44 14.171 4.406 -9.746 1.00 1.00 C ATOM 666 CD ARG A 44 14.287 5.407 -10.898 1.00 1.00 C ATOM 667 NE ARG A 44 13.195 5.227 -11.840 1.00 1.00 N ATOM 668 CZ ARG A 44 13.229 5.794 -13.042 1.00 1.00 C ATOM 669 NH1 ARG A 44 14.253 6.530 -13.386 1.00 1.00 N ATOM 670 NH2 ARG A 44 12.245 5.614 -13.874 1.00 1.00 N ATOM 0 H ARG A 44 15.213 2.090 -8.999 1.00 1.00 H new ATOM 0 HA ARG A 44 16.792 3.968 -10.372 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.129 4.186 -7.809 1.00 1.00 H new ATOM 0 HB3 ARG A 44 15.708 5.558 -8.733 1.00 1.00 H new ATOM 0 HG2 ARG A 44 14.098 3.393 -10.142 1.00 1.00 H new ATOM 0 HG3 ARG A 44 13.258 4.595 -9.182 1.00 1.00 H new ATOM 0 HD2 ARG A 44 14.274 6.424 -10.507 1.00 1.00 H new ATOM 0 HD3 ARG A 44 15.241 5.274 -11.408 1.00 1.00 H new ATOM 0 HE ARG A 44 12.391 4.658 -11.575 1.00 1.00 H new ATOM 0 HH11 ARG A 44 15.024 6.668 -12.733 1.00 1.00 H new ATOM 0 HH12 ARG A 44 14.281 6.966 -14.308 1.00 1.00 H new ATOM 0 HH21 ARG A 44 11.448 5.038 -13.604 1.00 1.00 H new ATOM 0 HH22 ARG A 44 12.271 6.049 -14.796 1.00 1.00 H new ATOM 684 N LEU A 45 17.914 3.086 -7.449 1.00 1.00 N ATOM 685 CA LEU A 45 19.056 3.206 -6.552 1.00 1.00 C ATOM 686 C LEU A 45 20.351 2.880 -7.284 1.00 1.00 C ATOM 687 O LEU A 45 21.375 3.520 -7.046 1.00 1.00 O ATOM 688 CB LEU A 45 18.878 2.256 -5.349 1.00 1.00 C ATOM 689 CG LEU A 45 17.909 2.874 -4.334 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.565 3.176 -5.016 1.00 1.00 C ATOM 691 CD2 LEU A 45 17.698 1.889 -3.183 1.00 1.00 C ATOM 0 H LEU A 45 17.244 2.361 -7.192 1.00 1.00 H new ATOM 0 HA LEU A 45 19.111 4.234 -6.195 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.497 1.293 -5.689 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.842 2.069 -4.877 1.00 1.00 H new ATOM 0 HG LEU A 45 18.325 3.804 -3.948 1.00 1.00 H new ATOM 0 HD11 LEU A 45 15.880 3.615 -4.291 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.723 3.876 -5.836 1.00 1.00 H new ATOM 0 HD13 LEU A 45 16.138 2.251 -5.405 1.00 1.00 H new ATOM 0 HD21 LEU A 45 17.010 2.321 -2.456 1.00 1.00 H new ATOM 0 HD22 LEU A 45 17.280 0.960 -3.571 1.00 1.00 H new ATOM 0 HD23 LEU A 45 18.653 1.683 -2.700 1.00 1.00 H new ATOM 703 N PHE A 46 20.312 1.878 -8.163 1.00 1.00 N ATOM 704 CA PHE A 46 21.494 1.478 -8.902 1.00 1.00 C ATOM 705 C PHE A 46 21.781 2.465 -10.022 1.00 1.00 C ATOM 706 O PHE A 46 22.555 2.182 -10.930 1.00 1.00 O ATOM 707 CB PHE A 46 21.273 0.084 -9.485 1.00 1.00 C ATOM 708 CG PHE A 46 22.560 -0.405 -10.113 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.610 -0.836 -9.290 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.714 -0.424 -11.507 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.807 -1.286 -9.859 1.00 1.00 C ATOM 712 CE2 PHE A 46 23.909 -0.873 -12.074 1.00 1.00 C ATOM 713 CZ PHE A 46 24.956 -1.303 -11.251 1.00 1.00 C ATOM 0 H PHE A 46 19.475 1.335 -8.375 1.00 1.00 H new ATOM 0 HA PHE A 46 22.349 1.464 -8.226 1.00 1.00 H new ATOM 0 HB2 PHE A 46 20.953 -0.604 -8.702 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.478 0.111 -10.231 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.495 -0.821 -8.216 1.00 1.00 H new ATOM 0 HD2 PHE A 46 21.907 -0.091 -12.143 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.615 -1.620 -9.225 1.00 1.00 H new ATOM 0 HE2 PHE A 46 24.025 -0.888 -13.148 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.880 -1.648 -11.690 1.00 1.00 H new ATOM 723 N GLU A 47 21.146 3.633 -9.958 1.00 1.00 N ATOM 724 CA GLU A 47 21.347 4.658 -10.989 1.00 1.00 C ATOM 725 C GLU A 47 22.488 5.591 -10.605 1.00 1.00 C ATOM 726 O GLU A 47 23.091 6.222 -11.468 1.00 1.00 O ATOM 727 CB GLU A 47 20.065 5.473 -11.172 1.00 1.00 C ATOM 728 CG GLU A 47 20.212 6.403 -12.382 1.00 1.00 C ATOM 729 CD GLU A 47 18.909 7.149 -12.632 1.00 1.00 C ATOM 730 OE1 GLU A 47 18.045 7.106 -11.771 1.00 1.00 O ATOM 731 OE2 GLU A 47 18.795 7.755 -13.682 1.00 1.00 O ATOM 0 H GLU A 47 20.496 3.895 -9.216 1.00 1.00 H new ATOM 0 HA GLU A 47 21.600 4.158 -11.924 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.216 4.805 -11.316 1.00 1.00 H new ATOM 0 HB3 GLU A 47 19.863 6.057 -10.274 1.00 1.00 H new ATOM 0 HG2 GLU A 47 21.019 7.114 -12.207 1.00 1.00 H new ATOM 0 HG3 GLU A 47 20.483 5.824 -13.265 1.00 1.00 H new ATOM 738 N ILE A 48 22.774 5.681 -9.309 1.00 1.00 N ATOM 739 CA ILE A 48 23.849 6.554 -8.807 1.00 1.00 C ATOM 740 C ILE A 48 24.884 5.741 -8.042 1.00 1.00 C ATOM 741 O ILE A 48 24.548 4.801 -7.325 1.00 1.00 O ATOM 742 CB ILE A 48 23.251 7.620 -7.887 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.559 6.939 -6.663 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.232 8.456 -8.670 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.427 7.108 -5.416 1.00 1.00 C ATOM 0 H ILE A 48 22.281 5.163 -8.582 1.00 1.00 H new ATOM 0 HA ILE A 48 24.339 7.032 -9.655 1.00 1.00 H new ATOM 0 HB ILE A 48 24.046 8.271 -7.523 1.00 1.00 H new ATOM 0 HG12 ILE A 48 21.577 7.382 -6.496 1.00 1.00 H new ATOM 0 HG13 ILE A 48 22.401 5.880 -6.866 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.805 9.216 -8.015 1.00 1.00 H new ATOM 0 HG22 ILE A 48 22.728 8.939 -9.512 1.00 1.00 H new ATOM 0 HG23 ILE A 48 21.437 7.808 -9.040 1.00 1.00 H new ATOM 0 HD11 ILE A 48 22.939 6.631 -4.566 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.399 6.644 -5.584 1.00 1.00 H new ATOM 0 HD13 ILE A 48 23.562 8.169 -5.208 1.00 1.00 H new ATOM 757 N GLU A 49 26.147 6.113 -8.204 1.00 1.00 N ATOM 758 CA GLU A 49 27.231 5.416 -7.526 1.00 1.00 C ATOM 759 C GLU A 49 27.166 5.668 -6.027 1.00 1.00 C ATOM 760 O GLU A 49 26.837 6.770 -5.595 1.00 1.00 O ATOM 761 CB GLU A 49 28.578 5.908 -8.068 1.00 1.00 C ATOM 762 CG GLU A 49 28.818 7.377 -7.648 1.00 1.00 C ATOM 763 CD GLU A 49 29.984 7.960 -8.434 1.00 1.00 C ATOM 764 OE1 GLU A 49 29.988 7.815 -9.646 1.00 1.00 O ATOM 765 OE2 GLU A 49 30.859 8.540 -7.814 1.00 1.00 O ATOM 0 H GLU A 49 26.445 6.889 -8.795 1.00 1.00 H new ATOM 0 HA GLU A 49 27.130 4.346 -7.710 1.00 1.00 H new ATOM 0 HB2 GLU A 49 29.383 5.278 -7.689 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.593 5.826 -9.155 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.918 7.966 -7.826 1.00 1.00 H new ATOM 0 HG3 GLU A 49 29.027 7.429 -6.579 1.00 1.00 H new ATOM 772 N GLY A 50 27.510 4.653 -5.240 1.00 1.00 N ATOM 773 CA GLY A 50 27.515 4.772 -3.779 1.00 1.00 C ATOM 774 C GLY A 50 26.776 3.617 -3.131 1.00 1.00 C ATOM 775 O GLY A 50 27.239 3.056 -2.143 1.00 1.00 O ATOM 0 H GLY A 50 27.790 3.736 -5.587 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.543 4.798 -3.417 1.00 1.00 H new ATOM 0 HA3 GLY A 50 27.051 5.714 -3.487 1.00 1.00 H new ATOM 779 N VAL A 51 25.620 3.269 -3.688 1.00 1.00 N ATOM 780 CA VAL A 51 24.820 2.183 -3.141 1.00 1.00 C ATOM 781 C VAL A 51 25.631 0.900 -3.033 1.00 1.00 C ATOM 782 O VAL A 51 26.055 0.325 -4.030 1.00 1.00 O ATOM 783 CB VAL A 51 23.589 1.954 -4.029 1.00 1.00 C ATOM 784 CG1 VAL A 51 22.629 3.153 -3.907 1.00 1.00 C ATOM 785 CG2 VAL A 51 24.027 1.786 -5.498 1.00 1.00 C ATOM 0 H VAL A 51 25.220 3.720 -4.511 1.00 1.00 H new ATOM 0 HA VAL A 51 24.501 2.463 -2.137 1.00 1.00 H new ATOM 0 HB VAL A 51 23.077 1.049 -3.703 1.00 1.00 H new ATOM 0 HG11 VAL A 51 21.757 2.986 -4.539 1.00 1.00 H new ATOM 0 HG12 VAL A 51 22.311 3.260 -2.870 1.00 1.00 H new ATOM 0 HG13 VAL A 51 23.140 4.062 -4.226 1.00 1.00 H new ATOM 0 HG21 VAL A 51 23.149 1.624 -6.123 1.00 1.00 H new ATOM 0 HG22 VAL A 51 24.546 2.686 -5.828 1.00 1.00 H new ATOM 0 HG23 VAL A 51 24.696 0.929 -5.583 1.00 1.00 H new ATOM 795 N LYS A 52 25.834 0.437 -1.807 1.00 1.00 N ATOM 796 CA LYS A 52 26.579 -0.800 -1.584 1.00 1.00 C ATOM 797 C LYS A 52 25.626 -1.991 -1.624 1.00 1.00 C ATOM 798 O LYS A 52 25.936 -3.024 -2.212 1.00 1.00 O ATOM 799 CB LYS A 52 27.289 -0.748 -0.232 1.00 1.00 C ATOM 800 CG LYS A 52 28.188 -1.980 -0.079 1.00 1.00 C ATOM 801 CD LYS A 52 28.977 -1.880 1.224 1.00 1.00 C ATOM 802 CE LYS A 52 29.884 -3.103 1.365 1.00 1.00 C ATOM 803 NZ LYS A 52 30.686 -2.984 2.615 1.00 1.00 N ATOM 0 H LYS A 52 25.498 0.892 -0.958 1.00 1.00 H new ATOM 0 HA LYS A 52 27.325 -0.912 -2.371 1.00 1.00 H new ATOM 0 HB2 LYS A 52 27.885 0.162 -0.157 1.00 1.00 H new ATOM 0 HB3 LYS A 52 26.556 -0.717 0.575 1.00 1.00 H new ATOM 0 HG2 LYS A 52 27.583 -2.887 -0.081 1.00 1.00 H new ATOM 0 HG3 LYS A 52 28.871 -2.051 -0.925 1.00 1.00 H new ATOM 0 HD2 LYS A 52 29.574 -0.968 1.231 1.00 1.00 H new ATOM 0 HD3 LYS A 52 28.294 -1.820 2.072 1.00 1.00 H new ATOM 0 HE2 LYS A 52 29.284 -4.013 1.390 1.00 1.00 H new ATOM 0 HE3 LYS A 52 30.545 -3.180 0.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.303 -3.815 2.712 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 31.268 -2.123 2.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 30.047 -2.930 3.434 1.00 1.00 H new ATOM 817 N SER A 53 24.464 -1.837 -0.991 1.00 1.00 N ATOM 818 CA SER A 53 23.473 -2.908 -0.957 1.00 1.00 C ATOM 819 C SER A 53 22.161 -2.394 -0.388 1.00 1.00 C ATOM 820 O SER A 53 22.101 -1.299 0.166 1.00 1.00 O ATOM 821 CB SER A 53 23.977 -4.077 -0.109 1.00 1.00 C ATOM 822 OG SER A 53 23.723 -3.804 1.265 1.00 1.00 O ATOM 0 H SER A 53 24.188 -0.987 -0.499 1.00 1.00 H new ATOM 0 HA SER A 53 23.309 -3.255 -1.977 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.478 -4.999 -0.407 1.00 1.00 H new ATOM 0 HB3 SER A 53 25.045 -4.225 -0.271 1.00 1.00 H new ATOM 0 HG SER A 53 24.043 -4.552 1.812 1.00 1.00 H new ATOM 828 N ILE A 54 21.110 -3.202 -0.512 1.00 1.00 N ATOM 829 CA ILE A 54 19.783 -2.830 0.003 1.00 1.00 C ATOM 830 C ILE A 54 19.165 -3.995 0.727 1.00 1.00 C ATOM 831 O ILE A 54 19.248 -5.113 0.261 1.00 1.00 O ATOM 832 CB ILE A 54 18.870 -2.399 -1.152 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.516 -1.194 -1.904 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.496 -1.989 -0.587 1.00 1.00 C ATOM 835 CD1 ILE A 54 20.294 -1.695 -3.118 1.00 1.00 C ATOM 0 H ILE A 54 21.145 -4.117 -0.962 1.00 1.00 H new ATOM 0 HA ILE A 54 19.899 -1.997 0.697 1.00 1.00 H new ATOM 0 HB ILE A 54 18.741 -3.227 -1.849 1.00 1.00 H new ATOM 0 HG12 ILE A 54 18.742 -0.495 -2.221 1.00 1.00 H new ATOM 0 HG13 ILE A 54 20.182 -0.651 -1.234 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.843 -1.682 -1.404 1.00 1.00 H new ATOM 0 HG22 ILE A 54 17.050 -2.836 -0.065 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.622 -1.159 0.109 1.00 1.00 H new ATOM 0 HD11 ILE A 54 20.742 -0.848 -3.638 1.00 1.00 H new ATOM 0 HD12 ILE A 54 21.079 -2.377 -2.791 1.00 1.00 H new ATOM 0 HD13 ILE A 54 19.617 -2.218 -3.793 1.00 1.00 H new ATOM 847 N PHE A 55 18.542 -3.722 1.871 1.00 1.00 N ATOM 848 CA PHE A 55 17.891 -4.768 2.670 1.00 1.00 C ATOM 849 C PHE A 55 16.384 -4.592 2.622 1.00 1.00 C ATOM 850 O PHE A 55 15.876 -3.480 2.747 1.00 1.00 O ATOM 851 CB PHE A 55 18.365 -4.680 4.120 1.00 1.00 C ATOM 852 CG PHE A 55 19.848 -4.982 4.180 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.288 -6.309 4.267 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.780 -3.937 4.145 1.00 1.00 C ATOM 855 CE1 PHE A 55 21.658 -6.589 4.320 1.00 1.00 C ATOM 856 CE2 PHE A 55 22.150 -4.218 4.199 1.00 1.00 C ATOM 857 CZ PHE A 55 22.589 -5.544 4.288 1.00 1.00 C ATOM 0 H PHE A 55 18.472 -2.786 2.269 1.00 1.00 H new ATOM 0 HA PHE A 55 18.154 -5.743 2.259 1.00 1.00 H new ATOM 0 HB2 PHE A 55 18.168 -3.685 4.519 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.813 -5.387 4.739 1.00 1.00 H new ATOM 0 HD1 PHE A 55 19.570 -7.116 4.293 1.00 1.00 H new ATOM 0 HD2 PHE A 55 20.441 -2.914 4.076 1.00 1.00 H new ATOM 0 HE1 PHE A 55 21.997 -7.612 4.386 1.00 1.00 H new ATOM 0 HE2 PHE A 55 22.868 -3.412 4.172 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.646 -5.761 4.332 1.00 1.00 H new ATOM 867 N TYR A 56 15.673 -5.708 2.446 1.00 1.00 N ATOM 868 CA TYR A 56 14.208 -5.705 2.387 1.00 1.00 C ATOM 869 C TYR A 56 13.632 -6.654 3.434 1.00 1.00 C ATOM 870 O TYR A 56 13.868 -7.859 3.394 1.00 1.00 O ATOM 871 CB TYR A 56 13.744 -6.121 0.987 1.00 1.00 C ATOM 872 CG TYR A 56 12.244 -6.334 0.994 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.381 -5.239 0.896 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.723 -7.629 1.116 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.998 -5.438 0.915 1.00 1.00 C ATOM 876 CE2 TYR A 56 10.343 -7.828 1.135 1.00 1.00 C ATOM 877 CZ TYR A 56 9.476 -6.734 1.032 1.00 1.00 C ATOM 878 OH TYR A 56 8.111 -6.930 1.049 1.00 1.00 O ATOM 0 H TYR A 56 16.091 -6.632 2.341 1.00 1.00 H new ATOM 0 HA TYR A 56 13.849 -4.698 2.598 1.00 1.00 H new ATOM 0 HB2 TYR A 56 14.009 -5.352 0.261 1.00 1.00 H new ATOM 0 HB3 TYR A 56 14.251 -7.037 0.682 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.782 -4.240 0.806 1.00 1.00 H new ATOM 0 HD2 TYR A 56 12.391 -8.474 1.195 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.330 -4.592 0.839 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.943 -8.827 1.229 1.00 1.00 H new ATOM 0 HH TYR A 56 7.690 -6.250 1.615 1.00 1.00 H new ATOM 888 N VAL A 57 12.853 -6.099 4.359 1.00 1.00 N ATOM 889 CA VAL A 57 12.223 -6.899 5.396 1.00 1.00 C ATOM 890 C VAL A 57 11.130 -6.100 6.093 1.00 1.00 C ATOM 891 O VAL A 57 11.289 -4.910 6.357 1.00 1.00 O ATOM 892 CB VAL A 57 13.270 -7.364 6.404 1.00 1.00 C ATOM 893 CG1 VAL A 57 13.925 -6.146 7.062 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.607 -8.242 7.476 1.00 1.00 C ATOM 0 H VAL A 57 12.646 -5.102 4.409 1.00 1.00 H new ATOM 0 HA VAL A 57 11.766 -7.775 4.936 1.00 1.00 H new ATOM 0 HB VAL A 57 14.032 -7.948 5.888 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.673 -6.479 7.782 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.404 -5.534 6.298 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.165 -5.557 7.575 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.359 -8.571 8.193 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.839 -7.667 7.994 1.00 1.00 H new ATOM 0 HG23 VAL A 57 12.151 -9.112 7.003 1.00 1.00 H new ATOM 904 N LEU A 58 10.035 -6.764 6.415 1.00 1.00 N ATOM 905 CA LEU A 58 8.938 -6.112 7.107 1.00 1.00 C ATOM 906 C LEU A 58 8.322 -5.015 6.242 1.00 1.00 C ATOM 907 O LEU A 58 8.336 -5.098 5.019 1.00 1.00 O ATOM 908 CB LEU A 58 9.434 -5.545 8.480 1.00 1.00 C ATOM 909 CG LEU A 58 8.494 -5.985 9.617 1.00 1.00 C ATOM 910 CD1 LEU A 58 9.104 -5.603 10.959 1.00 1.00 C ATOM 911 CD2 LEU A 58 7.126 -5.293 9.462 1.00 1.00 C ATOM 0 H LEU A 58 9.882 -7.751 6.209 1.00 1.00 H new ATOM 0 HA LEU A 58 8.158 -6.848 7.301 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.446 -5.896 8.681 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.477 -4.457 8.436 1.00 1.00 H new ATOM 0 HG LEU A 58 8.359 -7.066 9.571 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.438 -5.915 11.763 1.00 1.00 H new ATOM 0 HD12 LEU A 58 10.068 -6.098 11.074 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.243 -4.523 11.001 1.00 1.00 H new ATOM 0 HD21 LEU A 58 6.465 -5.608 10.269 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.258 -4.212 9.503 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.685 -5.569 8.504 1.00 1.00 H new ATOM 923 N ASP A 59 7.795 -3.975 6.894 1.00 1.00 N ATOM 924 CA ASP A 59 7.183 -2.853 6.207 1.00 1.00 C ATOM 925 C ASP A 59 8.163 -1.699 6.080 1.00 1.00 C ATOM 926 O ASP A 59 7.764 -0.567 5.845 1.00 1.00 O ATOM 927 CB ASP A 59 5.942 -2.395 6.965 1.00 1.00 C ATOM 928 CG ASP A 59 6.316 -1.890 8.358 1.00 1.00 C ATOM 929 OD1 ASP A 59 7.480 -1.986 8.716 1.00 1.00 O ATOM 930 OD2 ASP A 59 5.431 -1.410 9.046 1.00 1.00 O ATOM 0 H ASP A 59 7.784 -3.895 7.911 1.00 1.00 H new ATOM 0 HA ASP A 59 6.898 -3.177 5.206 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.441 -1.603 6.408 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.236 -3.221 7.050 1.00 1.00 H new ATOM 935 N PHE A 60 9.455 -1.986 6.233 1.00 1.00 N ATOM 936 CA PHE A 60 10.485 -0.944 6.121 1.00 1.00 C ATOM 937 C PHE A 60 11.709 -1.509 5.410 1.00 1.00 C ATOM 938 O PHE A 60 11.930 -2.717 5.417 1.00 1.00 O ATOM 939 CB PHE A 60 10.885 -0.442 7.515 1.00 1.00 C ATOM 940 CG PHE A 60 11.689 -1.505 8.243 1.00 1.00 C ATOM 941 CD1 PHE A 60 13.067 -1.615 8.000 1.00 1.00 C ATOM 942 CD2 PHE A 60 11.072 -2.375 9.145 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.821 -2.592 8.655 1.00 1.00 C ATOM 944 CE2 PHE A 60 11.829 -3.351 9.801 1.00 1.00 C ATOM 945 CZ PHE A 60 13.200 -3.459 9.558 1.00 1.00 C ATOM 0 H PHE A 60 9.815 -2.919 6.433 1.00 1.00 H new ATOM 0 HA PHE A 60 10.083 -0.109 5.547 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.473 0.472 7.426 1.00 1.00 H new ATOM 0 HB3 PHE A 60 9.993 -0.193 8.090 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.546 -0.942 7.304 1.00 1.00 H new ATOM 0 HD2 PHE A 60 10.012 -2.294 9.336 1.00 1.00 H new ATOM 0 HE1 PHE A 60 14.881 -2.677 8.464 1.00 1.00 H new ATOM 0 HE2 PHE A 60 11.352 -4.024 10.498 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.781 -4.213 10.068 1.00 1.00 H new ATOM 955 N ILE A 61 12.506 -0.626 4.815 1.00 1.00 N ATOM 956 CA ILE A 61 13.724 -1.030 4.117 1.00 1.00 C ATOM 957 C ILE A 61 14.885 -0.145 4.530 1.00 1.00 C ATOM 958 O ILE A 61 14.716 1.050 4.749 1.00 1.00 O ATOM 959 CB ILE A 61 13.496 -0.926 2.611 1.00 1.00 C ATOM 960 CG1 ILE A 61 13.137 0.517 2.230 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.347 -1.860 2.198 1.00 1.00 C ATOM 962 CD1 ILE A 61 12.910 0.618 0.720 1.00 1.00 C ATOM 0 H ILE A 61 12.330 0.379 4.802 1.00 1.00 H new ATOM 0 HA ILE A 61 13.966 -2.060 4.379 1.00 1.00 H new ATOM 0 HB ILE A 61 14.411 -1.217 2.095 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.239 0.830 2.763 1.00 1.00 H new ATOM 0 HG13 ILE A 61 13.938 1.192 2.532 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.185 -1.785 1.123 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.603 -2.888 2.455 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.436 -1.571 2.723 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.656 1.645 0.458 1.00 1.00 H new ATOM 0 HD12 ILE A 61 13.819 0.324 0.195 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.093 -0.043 0.430 1.00 1.00 H new ATOM 974 N SER A 62 16.072 -0.737 4.613 1.00 1.00 N ATOM 975 CA SER A 62 17.289 0.002 4.981 1.00 1.00 C ATOM 976 C SER A 62 18.209 0.095 3.777 1.00 1.00 C ATOM 977 O SER A 62 18.557 -0.920 3.177 1.00 1.00 O ATOM 978 CB SER A 62 18.008 -0.704 6.119 1.00 1.00 C ATOM 979 OG SER A 62 19.304 -0.141 6.262 1.00 1.00 O ATOM 0 H SER A 62 16.224 -1.729 4.431 1.00 1.00 H new ATOM 0 HA SER A 62 17.011 1.004 5.307 1.00 1.00 H new ATOM 0 HB2 SER A 62 17.445 -0.595 7.046 1.00 1.00 H new ATOM 0 HB3 SER A 62 18.081 -1.772 5.914 1.00 1.00 H new ATOM 0 HG SER A 62 19.776 -0.589 6.995 1.00 1.00 H new ATOM 985 N ILE A 63 18.581 1.324 3.410 1.00 1.00 N ATOM 986 CA ILE A 63 19.449 1.553 2.252 1.00 1.00 C ATOM 987 C ILE A 63 20.797 2.076 2.713 1.00 1.00 C ATOM 988 O ILE A 63 20.876 3.076 3.419 1.00 1.00 O ATOM 989 CB ILE A 63 18.800 2.586 1.323 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.361 2.145 0.990 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.612 2.665 0.018 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.627 3.283 0.284 1.00 1.00 C ATOM 0 H ILE A 63 18.296 2.174 3.897 1.00 1.00 H new ATOM 0 HA ILE A 63 19.588 0.612 1.719 1.00 1.00 H new ATOM 0 HB ILE A 63 18.781 3.559 1.814 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.379 1.260 0.354 1.00 1.00 H new ATOM 0 HG13 ILE A 63 16.834 1.870 1.903 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.158 3.397 -0.649 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.635 2.965 0.244 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.619 1.688 -0.466 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.610 2.970 0.049 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.596 4.156 0.936 1.00 1.00 H new ATOM 0 HD13 ILE A 63 17.150 3.537 -0.638 1.00 1.00 H new ATOM 1004 N ASP A 64 21.861 1.390 2.294 1.00 1.00 N ATOM 1005 CA ASP A 64 23.229 1.786 2.652 1.00 1.00 C ATOM 1006 C ASP A 64 24.009 2.168 1.404 1.00 1.00 C ATOM 1007 O ASP A 64 23.980 1.459 0.400 1.00 1.00 O ATOM 1008 CB ASP A 64 23.933 0.630 3.361 1.00 1.00 C ATOM 1009 CG ASP A 64 23.280 0.374 4.718 1.00 1.00 C ATOM 1010 OD1 ASP A 64 22.565 1.246 5.188 1.00 1.00 O ATOM 1011 OD2 ASP A 64 23.502 -0.692 5.266 1.00 1.00 O ATOM 0 H ASP A 64 21.805 0.558 1.707 1.00 1.00 H new ATOM 0 HA ASP A 64 23.182 2.647 3.319 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.881 -0.270 2.748 1.00 1.00 H new ATOM 0 HB3 ASP A 64 24.989 0.864 3.495 1.00 1.00 H new ATOM 1016 N LYS A 65 24.706 3.301 1.474 1.00 1.00 N ATOM 1017 CA LYS A 65 25.508 3.783 0.345 1.00 1.00 C ATOM 1018 C LYS A 65 26.773 4.453 0.839 1.00 1.00 C ATOM 1019 O LYS A 65 26.842 4.917 1.972 1.00 1.00 O ATOM 1020 CB LYS A 65 24.688 4.767 -0.478 1.00 1.00 C ATOM 1021 CG LYS A 65 24.304 5.989 0.393 1.00 1.00 C ATOM 1022 CD LYS A 65 23.040 6.677 -0.182 1.00 1.00 C ATOM 1023 CE LYS A 65 21.783 6.004 0.402 1.00 1.00 C ATOM 1024 NZ LYS A 65 20.602 6.403 -0.390 1.00 1.00 N ATOM 0 H LYS A 65 24.733 3.903 2.297 1.00 1.00 H new ATOM 0 HA LYS A 65 25.788 2.933 -0.277 1.00 1.00 H new ATOM 0 HB2 LYS A 65 25.260 5.094 -1.347 1.00 1.00 H new ATOM 0 HB3 LYS A 65 23.788 4.280 -0.854 1.00 1.00 H new ATOM 0 HG2 LYS A 65 24.119 5.670 1.419 1.00 1.00 H new ATOM 0 HG3 LYS A 65 25.131 6.698 0.424 1.00 1.00 H new ATOM 0 HD2 LYS A 65 23.046 7.739 0.065 1.00 1.00 H new ATOM 0 HD3 LYS A 65 23.034 6.603 -1.269 1.00 1.00 H new ATOM 0 HE2 LYS A 65 21.896 4.920 0.386 1.00 1.00 H new ATOM 0 HE3 LYS A 65 21.652 6.295 1.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 19.897 5.639 -0.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 20.187 7.266 0.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 20.889 6.586 -1.373 1.00 1.00 H new ATOM 1038 N GLU A 66 27.782 4.488 -0.017 1.00 1.00 N ATOM 1039 CA GLU A 66 29.053 5.093 0.346 1.00 1.00 C ATOM 1040 C GLU A 66 28.841 6.499 0.908 1.00 1.00 C ATOM 1041 O GLU A 66 27.790 7.102 0.715 1.00 1.00 O ATOM 1042 CB GLU A 66 29.983 5.147 -0.890 1.00 1.00 C ATOM 1043 CG GLU A 66 31.457 5.220 -0.451 1.00 1.00 C ATOM 1044 CD GLU A 66 31.879 3.889 0.175 1.00 1.00 C ATOM 1045 OE1 GLU A 66 31.111 2.943 0.089 1.00 1.00 O ATOM 1046 OE2 GLU A 66 32.954 3.843 0.748 1.00 1.00 O ATOM 0 H GLU A 66 27.746 4.107 -0.962 1.00 1.00 H new ATOM 0 HA GLU A 66 29.521 4.482 1.118 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.825 4.265 -1.510 1.00 1.00 H new ATOM 0 HB3 GLU A 66 29.736 6.015 -1.501 1.00 1.00 H new ATOM 0 HG2 GLU A 66 32.090 5.446 -1.309 1.00 1.00 H new ATOM 0 HG3 GLU A 66 31.592 6.029 0.267 1.00 1.00 H new ATOM 1053 N ASP A 67 29.853 7.016 1.593 1.00 1.00 N ATOM 1054 CA ASP A 67 29.779 8.353 2.160 1.00 1.00 C ATOM 1055 C ASP A 67 29.807 9.408 1.061 1.00 1.00 C ATOM 1056 O ASP A 67 29.515 10.575 1.310 1.00 1.00 O ATOM 1057 CB ASP A 67 30.956 8.577 3.115 1.00 1.00 C ATOM 1058 CG ASP A 67 30.825 7.658 4.326 1.00 1.00 C ATOM 1059 OD1 ASP A 67 29.731 7.184 4.568 1.00 1.00 O ATOM 1060 OD2 ASP A 67 31.824 7.436 4.987 1.00 1.00 O ATOM 0 H ASP A 67 30.732 6.530 1.768 1.00 1.00 H new ATOM 0 HA ASP A 67 28.840 8.444 2.707 1.00 1.00 H new ATOM 0 HB2 ASP A 67 31.896 8.381 2.599 1.00 1.00 H new ATOM 0 HB3 ASP A 67 30.980 9.618 3.438 1.00 1.00 H new ATOM 1065 N ASN A 68 30.182 9.001 -0.154 1.00 1.00 N ATOM 1066 CA ASN A 68 30.266 9.934 -1.276 1.00 1.00 C ATOM 1067 C ASN A 68 28.932 10.035 -1.986 1.00 1.00 C ATOM 1068 O ASN A 68 28.845 10.628 -3.058 1.00 1.00 O ATOM 1069 CB ASN A 68 31.334 9.459 -2.262 1.00 1.00 C ATOM 1070 CG ASN A 68 32.702 9.453 -1.587 1.00 1.00 C ATOM 1071 OD1 ASN A 68 33.606 8.743 -2.026 1.00 1.00 O ATOM 1072 ND2 ASN A 68 32.909 10.202 -0.537 1.00 1.00 N ATOM 0 H ASN A 68 30.430 8.039 -0.383 1.00 1.00 H new ATOM 0 HA ASN A 68 30.533 10.918 -0.890 1.00 1.00 H new ATOM 0 HB2 ASN A 68 31.091 8.458 -2.619 1.00 1.00 H new ATOM 0 HB3 ASN A 68 31.352 10.113 -3.134 1.00 1.00 H new ATOM 0 HD21 ASN A 68 33.821 10.199 -0.080 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.159 10.790 -0.174 1.00 1.00 H new ATOM 1079 N ALA A 69 27.888 9.457 -1.383 1.00 1.00 N ATOM 1080 CA ALA A 69 26.542 9.491 -1.972 1.00 1.00 C ATOM 1081 C ALA A 69 25.675 10.490 -1.220 1.00 1.00 C ATOM 1082 O ALA A 69 26.007 10.922 -0.117 1.00 1.00 O ATOM 1083 CB ALA A 69 25.914 8.074 -1.912 1.00 1.00 C ATOM 0 H ALA A 69 27.946 8.962 -0.493 1.00 1.00 H new ATOM 0 HA ALA A 69 26.608 9.804 -3.014 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.916 8.100 -2.349 1.00 1.00 H new ATOM 0 HB2 ALA A 69 26.537 7.376 -2.471 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.847 7.749 -0.874 1.00 1.00 H new ATOM 1089 N ASN A 70 24.556 10.843 -1.831 1.00 1.00 N ATOM 1090 CA ASN A 70 23.614 11.790 -1.225 1.00 1.00 C ATOM 1091 C ASN A 70 22.187 11.488 -1.678 1.00 1.00 C ATOM 1092 O ASN A 70 21.928 11.259 -2.855 1.00 1.00 O ATOM 1093 CB ASN A 70 24.004 13.223 -1.615 1.00 1.00 C ATOM 1094 CG ASN A 70 24.397 13.266 -3.091 1.00 1.00 C ATOM 1095 OD1 ASN A 70 25.114 14.171 -3.513 1.00 1.00 O ATOM 1096 ND2 ASN A 70 23.965 12.340 -3.906 1.00 1.00 N ATOM 0 H ASN A 70 24.271 10.492 -2.746 1.00 1.00 H new ATOM 0 HA ASN A 70 23.657 11.689 -0.141 1.00 1.00 H new ATOM 0 HB2 ASN A 70 23.170 13.900 -1.431 1.00 1.00 H new ATOM 0 HB3 ASN A 70 24.834 13.565 -0.997 1.00 1.00 H new ATOM 0 HD21 ASN A 70 24.223 12.368 -4.892 1.00 1.00 H new ATOM 0 HD22 ASN A 70 23.370 11.589 -3.556 1.00 1.00 H new ATOM 1103 N TRP A 71 21.266 11.478 -0.723 1.00 1.00 N ATOM 1104 CA TRP A 71 19.866 11.198 -1.022 1.00 1.00 C ATOM 1105 C TRP A 71 19.240 12.322 -1.840 1.00 1.00 C ATOM 1106 O TRP A 71 18.188 12.145 -2.458 1.00 1.00 O ATOM 1107 CB TRP A 71 19.078 11.011 0.287 1.00 1.00 C ATOM 1108 CG TRP A 71 19.893 10.207 1.252 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.720 9.186 0.920 1.00 1.00 C ATOM 1110 CD2 TRP A 71 19.982 10.349 2.698 1.00 1.00 C ATOM 1111 NE1 TRP A 71 21.305 8.695 2.070 1.00 1.00 N ATOM 1112 CE2 TRP A 71 20.880 9.373 3.191 1.00 1.00 C ATOM 1113 CE3 TRP A 71 19.374 11.216 3.623 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 21.169 9.262 4.549 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 19.660 11.109 4.993 1.00 1.00 C ATOM 1116 CH2 TRP A 71 20.554 10.132 5.456 1.00 1.00 C ATOM 0 H TRP A 71 21.461 11.660 0.262 1.00 1.00 H new ATOM 0 HA TRP A 71 19.824 10.282 -1.611 1.00 1.00 H new ATOM 0 HB2 TRP A 71 18.836 11.982 0.720 1.00 1.00 H new ATOM 0 HB3 TRP A 71 18.133 10.507 0.086 1.00 1.00 H new ATOM 0 HD1 TRP A 71 20.893 8.817 -0.080 1.00 1.00 H new ATOM 0 HE1 TRP A 71 21.972 7.923 2.087 1.00 1.00 H new ATOM 0 HE3 TRP A 71 18.682 11.970 3.277 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 21.862 8.511 4.899 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 19.189 11.782 5.694 1.00 1.00 H new ATOM 0 HH2 TRP A 71 20.767 10.051 6.512 1.00 1.00 H new ATOM 1127 N ASN A 72 19.884 13.482 -1.829 1.00 1.00 N ATOM 1128 CA ASN A 72 19.369 14.632 -2.560 1.00 1.00 C ATOM 1129 C ASN A 72 19.211 14.311 -4.040 1.00 1.00 C ATOM 1130 O ASN A 72 18.469 14.979 -4.756 1.00 1.00 O ATOM 1131 CB ASN A 72 20.320 15.824 -2.386 1.00 1.00 C ATOM 1132 CG ASN A 72 21.622 15.580 -3.144 1.00 1.00 C ATOM 1133 OD1 ASN A 72 22.353 16.521 -3.457 1.00 1.00 O ATOM 1134 ND2 ASN A 72 21.943 14.363 -3.473 1.00 1.00 N ATOM 0 H ASN A 72 20.756 13.651 -1.327 1.00 1.00 H new ATOM 0 HA ASN A 72 18.388 14.884 -2.157 1.00 1.00 H new ATOM 0 HB2 ASN A 72 19.844 16.734 -2.752 1.00 1.00 H new ATOM 0 HB3 ASN A 72 20.531 15.978 -1.328 1.00 1.00 H new ATOM 0 HD21 ASN A 72 22.803 14.185 -3.992 1.00 1.00 H new ATOM 0 HD22 ASN A 72 21.335 13.587 -3.212 1.00 1.00 H new ATOM 1141 N GLU A 73 19.919 13.283 -4.494 1.00 1.00 N ATOM 1142 CA GLU A 73 19.856 12.871 -5.901 1.00 1.00 C ATOM 1143 C GLU A 73 18.844 11.754 -6.076 1.00 1.00 C ATOM 1144 O GLU A 73 18.269 11.604 -7.142 1.00 1.00 O ATOM 1145 CB GLU A 73 21.246 12.401 -6.371 1.00 1.00 C ATOM 1146 CG GLU A 73 22.131 13.612 -6.690 1.00 1.00 C ATOM 1147 CD GLU A 73 23.535 13.157 -7.058 1.00 1.00 C ATOM 1148 OE1 GLU A 73 23.745 11.959 -7.171 1.00 1.00 O ATOM 1149 OE2 GLU A 73 24.387 14.014 -7.217 1.00 1.00 O ATOM 0 H GLU A 73 20.542 12.719 -3.916 1.00 1.00 H new ATOM 0 HA GLU A 73 19.544 13.723 -6.505 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.714 11.793 -5.597 1.00 1.00 H new ATOM 0 HB3 GLU A 73 21.146 11.771 -7.255 1.00 1.00 H new ATOM 0 HG2 GLU A 73 21.698 14.181 -7.513 1.00 1.00 H new ATOM 0 HG3 GLU A 73 22.171 14.279 -5.829 1.00 1.00 H new ATOM 1156 N LEU A 74 18.651 10.956 -5.038 1.00 1.00 N ATOM 1157 CA LEU A 74 17.713 9.838 -5.113 1.00 1.00 C ATOM 1158 C LEU A 74 16.281 10.318 -5.055 1.00 1.00 C ATOM 1159 O LEU A 74 15.428 9.795 -5.756 1.00 1.00 O ATOM 1160 CB LEU A 74 17.953 8.868 -3.951 1.00 1.00 C ATOM 1161 CG LEU A 74 19.185 7.999 -4.246 1.00 1.00 C ATOM 1162 CD1 LEU A 74 20.407 8.903 -4.505 1.00 1.00 C ATOM 1163 CD2 LEU A 74 19.456 7.090 -3.048 1.00 1.00 C ATOM 0 H LEU A 74 19.124 11.056 -4.140 1.00 1.00 H new ATOM 0 HA LEU A 74 17.880 9.333 -6.065 1.00 1.00 H new ATOM 0 HB2 LEU A 74 18.102 9.424 -3.026 1.00 1.00 H new ATOM 0 HB3 LEU A 74 17.077 8.236 -3.806 1.00 1.00 H new ATOM 0 HG LEU A 74 19.001 7.389 -5.131 1.00 1.00 H new ATOM 0 HD11 LEU A 74 21.280 8.284 -4.714 1.00 1.00 H new ATOM 0 HD12 LEU A 74 20.207 9.549 -5.360 1.00 1.00 H new ATOM 0 HD13 LEU A 74 20.599 9.516 -3.624 1.00 1.00 H new ATOM 0 HD21 LEU A 74 20.330 6.471 -3.251 1.00 1.00 H new ATOM 0 HD22 LEU A 74 19.641 7.699 -2.163 1.00 1.00 H new ATOM 0 HD23 LEU A 74 18.591 6.451 -2.873 1.00 1.00 H new ATOM 1175 N LEU A 75 16.028 11.313 -4.216 1.00 1.00 N ATOM 1176 CA LEU A 75 14.683 11.854 -4.068 1.00 1.00 C ATOM 1177 C LEU A 75 13.967 11.979 -5.413 1.00 1.00 C ATOM 1178 O LEU A 75 12.922 11.373 -5.627 1.00 1.00 O ATOM 1179 CB LEU A 75 14.742 13.252 -3.376 1.00 1.00 C ATOM 1180 CG LEU A 75 14.341 13.156 -1.898 1.00 1.00 C ATOM 1181 CD1 LEU A 75 14.845 14.387 -1.151 1.00 1.00 C ATOM 1182 CD2 LEU A 75 12.806 13.082 -1.795 1.00 1.00 C ATOM 0 H LEU A 75 16.732 11.761 -3.630 1.00 1.00 H new ATOM 0 HA LEU A 75 14.117 11.157 -3.450 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.750 13.658 -3.456 1.00 1.00 H new ATOM 0 HB3 LEU A 75 14.077 13.945 -3.892 1.00 1.00 H new ATOM 0 HG LEU A 75 14.781 12.262 -1.456 1.00 1.00 H new ATOM 0 HD11 LEU A 75 14.560 14.318 -0.101 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.931 14.441 -1.229 1.00 1.00 H new ATOM 0 HD13 LEU A 75 14.405 15.283 -1.588 1.00 1.00 H new ATOM 0 HD21 LEU A 75 12.515 13.014 -0.747 1.00 1.00 H new ATOM 0 HD22 LEU A 75 12.368 13.978 -2.236 1.00 1.00 H new ATOM 0 HD23 LEU A 75 12.447 12.202 -2.329 1.00 1.00 H new ATOM 1194 N PRO A 76 14.488 12.780 -6.299 1.00 1.00 N ATOM 1195 CA PRO A 76 13.861 12.992 -7.632 1.00 1.00 C ATOM 1196 C PRO A 76 13.781 11.706 -8.443 1.00 1.00 C ATOM 1197 O PRO A 76 12.914 11.559 -9.301 1.00 1.00 O ATOM 1198 CB PRO A 76 14.798 14.028 -8.304 1.00 1.00 C ATOM 1199 CG PRO A 76 16.105 13.878 -7.587 1.00 1.00 C ATOM 1200 CD PRO A 76 15.737 13.565 -6.159 1.00 1.00 C ATOM 0 HA PRO A 76 12.828 13.330 -7.557 1.00 1.00 H new ATOM 0 HB2 PRO A 76 14.906 13.831 -9.371 1.00 1.00 H new ATOM 0 HB3 PRO A 76 14.406 15.040 -8.205 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.705 13.079 -8.024 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.696 14.791 -7.650 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.518 12.994 -5.657 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.580 14.472 -5.575 1.00 1.00 H new ATOM 1208 N GLN A 77 14.709 10.787 -8.185 1.00 1.00 N ATOM 1209 CA GLN A 77 14.740 9.525 -8.922 1.00 1.00 C ATOM 1210 C GLN A 77 13.646 8.577 -8.449 1.00 1.00 C ATOM 1211 O GLN A 77 12.892 8.023 -9.247 1.00 1.00 O ATOM 1212 CB GLN A 77 16.107 8.858 -8.745 1.00 1.00 C ATOM 1213 CG GLN A 77 17.189 9.708 -9.418 1.00 1.00 C ATOM 1214 CD GLN A 77 18.566 9.135 -9.110 1.00 1.00 C ATOM 1215 OE1 GLN A 77 18.678 8.070 -8.500 1.00 1.00 O ATOM 1216 NE2 GLN A 77 19.631 9.785 -9.493 1.00 1.00 N ATOM 0 H GLN A 77 15.440 10.889 -7.481 1.00 1.00 H new ATOM 0 HA GLN A 77 14.567 9.745 -9.975 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.330 8.741 -7.685 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.094 7.859 -9.180 1.00 1.00 H new ATOM 0 HG2 GLN A 77 17.028 9.730 -10.496 1.00 1.00 H new ATOM 0 HG3 GLN A 77 17.127 10.737 -9.065 1.00 1.00 H new ATOM 0 HE21 GLN A 77 19.537 10.666 -9.998 1.00 1.00 H new ATOM 0 HE22 GLN A 77 20.558 9.412 -9.288 1.00 1.00 H new ATOM 1225 N ILE A 78 13.568 8.392 -7.136 1.00 1.00 N ATOM 1226 CA ILE A 78 12.569 7.500 -6.554 1.00 1.00 C ATOM 1227 C ILE A 78 11.177 8.097 -6.687 1.00 1.00 C ATOM 1228 O ILE A 78 10.213 7.402 -7.007 1.00 1.00 O ATOM 1229 CB ILE A 78 12.901 7.227 -5.084 1.00 1.00 C ATOM 1230 CG1 ILE A 78 12.812 8.531 -4.272 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.328 6.645 -4.986 1.00 1.00 C ATOM 1232 CD1 ILE A 78 13.307 8.314 -2.846 1.00 1.00 C ATOM 0 H ILE A 78 14.180 8.844 -6.457 1.00 1.00 H new ATOM 0 HA ILE A 78 12.586 6.555 -7.097 1.00 1.00 H new ATOM 0 HB ILE A 78 12.185 6.512 -4.678 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.407 9.307 -4.754 1.00 1.00 H new ATOM 0 HG13 ILE A 78 11.781 8.884 -4.254 1.00 1.00 H new ATOM 0 HG21 ILE A 78 14.570 6.449 -3.941 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.381 5.715 -5.552 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.042 7.360 -5.395 1.00 1.00 H new ATOM 0 HD11 ILE A 78 13.235 9.249 -2.290 1.00 1.00 H new ATOM 0 HD12 ILE A 78 12.695 7.555 -2.360 1.00 1.00 H new ATOM 0 HD13 ILE A 78 14.345 7.983 -2.868 1.00 1.00 H new ATOM 1244 N GLU A 79 11.068 9.392 -6.421 1.00 1.00 N ATOM 1245 CA GLU A 79 9.783 10.062 -6.493 1.00 1.00 C ATOM 1246 C GLU A 79 9.131 9.810 -7.849 1.00 1.00 C ATOM 1247 O GLU A 79 7.911 9.686 -7.950 1.00 1.00 O ATOM 1248 CB GLU A 79 9.967 11.579 -6.271 1.00 1.00 C ATOM 1249 CG GLU A 79 8.614 12.250 -5.977 1.00 1.00 C ATOM 1250 CD GLU A 79 7.757 12.279 -7.238 1.00 1.00 C ATOM 1251 OE1 GLU A 79 8.321 12.435 -8.310 1.00 1.00 O ATOM 1252 OE2 GLU A 79 6.554 12.129 -7.116 1.00 1.00 O ATOM 0 H GLU A 79 11.849 9.993 -6.156 1.00 1.00 H new ATOM 0 HA GLU A 79 9.135 9.663 -5.713 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.652 11.750 -5.441 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.418 12.030 -7.155 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.094 11.707 -5.187 1.00 1.00 H new ATOM 0 HG3 GLU A 79 8.774 13.265 -5.614 1.00 1.00 H new ATOM 1259 N ASN A 80 9.955 9.735 -8.883 1.00 1.00 N ATOM 1260 CA ASN A 80 9.449 9.499 -10.227 1.00 1.00 C ATOM 1261 C ASN A 80 8.780 8.128 -10.301 1.00 1.00 C ATOM 1262 O ASN A 80 7.744 7.973 -10.941 1.00 1.00 O ATOM 1263 CB ASN A 80 10.600 9.572 -11.238 1.00 1.00 C ATOM 1264 CG ASN A 80 11.112 11.005 -11.341 1.00 1.00 C ATOM 1265 OD1 ASN A 80 10.427 11.941 -10.932 1.00 1.00 O ATOM 1266 ND2 ASN A 80 12.283 11.232 -11.870 1.00 1.00 N ATOM 0 H ASN A 80 10.968 9.833 -8.819 1.00 1.00 H new ATOM 0 HA ASN A 80 8.713 10.266 -10.468 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.409 8.909 -10.930 1.00 1.00 H new ATOM 0 HB3 ASN A 80 10.260 9.227 -12.215 1.00 1.00 H new ATOM 0 HD21 ASN A 80 12.632 12.187 -11.945 1.00 1.00 H new ATOM 0 HD22 ASN A 80 12.849 10.454 -12.208 1.00 1.00 H new ATOM 1273 N THR A 81 9.376 7.140 -9.635 1.00 1.00 N ATOM 1274 CA THR A 81 8.826 5.797 -9.636 1.00 1.00 C ATOM 1275 C THR A 81 7.440 5.795 -9.003 1.00 1.00 C ATOM 1276 O THR A 81 6.495 5.237 -9.552 1.00 1.00 O ATOM 1277 CB THR A 81 9.746 4.854 -8.863 1.00 1.00 C ATOM 1278 OG1 THR A 81 11.010 4.825 -9.502 1.00 1.00 O ATOM 1279 CG2 THR A 81 9.156 3.441 -8.840 1.00 1.00 C ATOM 0 H THR A 81 10.233 7.249 -9.093 1.00 1.00 H new ATOM 0 HA THR A 81 8.746 5.454 -10.667 1.00 1.00 H new ATOM 0 HB THR A 81 9.850 5.209 -7.838 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.284 3.895 -9.642 1.00 1.00 H new ATOM 0 HG21 THR A 81 9.821 2.778 -8.286 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.179 3.462 -8.356 1.00 1.00 H new ATOM 0 HG23 THR A 81 9.047 3.075 -9.861 1.00 1.00 H new ATOM 1287 N PHE A 82 7.330 6.430 -7.844 1.00 1.00 N ATOM 1288 CA PHE A 82 6.053 6.504 -7.145 1.00 1.00 C ATOM 1289 C PHE A 82 5.068 7.352 -7.946 1.00 1.00 C ATOM 1290 O PHE A 82 3.896 7.002 -8.079 1.00 1.00 O ATOM 1291 CB PHE A 82 6.262 7.105 -5.735 1.00 1.00 C ATOM 1292 CG PHE A 82 5.008 7.836 -5.293 1.00 1.00 C ATOM 1293 CD1 PHE A 82 4.849 9.187 -5.618 1.00 1.00 C ATOM 1294 CD2 PHE A 82 4.012 7.158 -4.589 1.00 1.00 C ATOM 1295 CE1 PHE A 82 3.683 9.865 -5.234 1.00 1.00 C ATOM 1296 CE2 PHE A 82 2.846 7.831 -4.205 1.00 1.00 C ATOM 1297 CZ PHE A 82 2.683 9.186 -4.520 1.00 1.00 C ATOM 0 H PHE A 82 8.103 6.898 -7.370 1.00 1.00 H new ATOM 0 HA PHE A 82 5.642 5.500 -7.041 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.501 6.313 -5.025 1.00 1.00 H new ATOM 0 HB3 PHE A 82 7.109 7.791 -5.745 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.623 9.707 -6.164 1.00 1.00 H new ATOM 0 HD2 PHE A 82 4.141 6.115 -4.341 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.555 10.907 -5.487 1.00 1.00 H new ATOM 0 HE2 PHE A 82 2.072 7.305 -3.666 1.00 1.00 H new ATOM 0 HZ PHE A 82 1.789 9.708 -4.214 1.00 1.00 H new ATOM 1307 N ALA A 83 5.547 8.491 -8.445 1.00 1.00 N ATOM 1308 CA ALA A 83 4.693 9.402 -9.197 1.00 1.00 C ATOM 1309 C ALA A 83 3.846 8.632 -10.204 1.00 1.00 C ATOM 1310 O ALA A 83 2.700 8.993 -10.476 1.00 1.00 O ATOM 1311 CB ALA A 83 5.553 10.431 -9.934 1.00 1.00 C ATOM 0 H ALA A 83 6.513 8.801 -8.342 1.00 1.00 H new ATOM 0 HA ALA A 83 4.031 9.913 -8.498 1.00 1.00 H new ATOM 0 HB1 ALA A 83 4.909 11.109 -10.494 1.00 1.00 H new ATOM 0 HB2 ALA A 83 6.138 11.000 -9.212 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.225 9.918 -10.622 1.00 1.00 H new ATOM 1317 N LYS A 84 4.415 7.559 -10.745 1.00 1.00 N ATOM 1318 CA LYS A 84 3.696 6.738 -11.710 1.00 1.00 C ATOM 1319 C LYS A 84 2.522 6.031 -11.039 1.00 1.00 C ATOM 1320 O LYS A 84 1.392 6.096 -11.524 1.00 1.00 O ATOM 1321 CB LYS A 84 4.649 5.701 -12.303 1.00 1.00 C ATOM 1322 CG LYS A 84 5.712 6.412 -13.151 1.00 1.00 C ATOM 1323 CD LYS A 84 6.789 5.404 -13.575 1.00 1.00 C ATOM 1324 CE LYS A 84 6.162 4.275 -14.425 1.00 1.00 C ATOM 1325 NZ LYS A 84 5.658 3.207 -13.516 1.00 1.00 N ATOM 0 H LYS A 84 5.361 7.241 -10.534 1.00 1.00 H new ATOM 0 HA LYS A 84 3.310 7.380 -12.502 1.00 1.00 H new ATOM 0 HB2 LYS A 84 5.126 5.131 -11.506 1.00 1.00 H new ATOM 0 HB3 LYS A 84 4.095 4.990 -12.916 1.00 1.00 H new ATOM 0 HG2 LYS A 84 5.251 6.859 -14.032 1.00 1.00 H new ATOM 0 HG3 LYS A 84 6.163 7.224 -12.581 1.00 1.00 H new ATOM 0 HD2 LYS A 84 7.566 5.911 -14.147 1.00 1.00 H new ATOM 0 HD3 LYS A 84 7.268 4.981 -12.692 1.00 1.00 H new ATOM 0 HE2 LYS A 84 5.347 4.669 -15.032 1.00 1.00 H new ATOM 0 HE3 LYS A 84 6.902 3.866 -15.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 6.104 2.301 -13.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 5.892 3.450 -12.532 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 4.626 3.124 -13.616 1.00 1.00 H new