USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 561 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 Single : A 1 VAL N :NH3+ -165:sc= -0.142 (180deg=-0.539!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -8.03! C(o=-8!,f=-9!) USER MOD Single : A 7 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.1!) USER MOD Single : A 9 SER OG : rot 29:sc= 0.153 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0935 USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= -1.89! (180deg=-6.09!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= -0.289 (180deg=-2.59!) USER MOD Single : A 34 ASN : amide:sc= -9.38! C(o=-9.4!,f=-13!) USER MOD Single : A 49 SER OG : rot 110:sc= -4.98! USER MOD Single : A 50 ASN : amide:sc= -10.5! C(o=-10!,f=-11!) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0131 F(o=-0.84,f=-0.013) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.17) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.5!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 GLN : amide:sc= -0.767 X(o=-0.77,f=-0.77) USER MOD Single : A 82 THR OG1 : rot -179:sc= -3.79! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.644 -13.698 0.505 1.00 0.00 N ATOM 2 CA VAL A 1 -0.869 -12.513 0.976 1.00 0.00 C ATOM 3 C VAL A 1 -1.645 -11.772 2.068 1.00 0.00 C ATOM 4 O VAL A 1 -1.982 -10.614 1.925 1.00 0.00 O ATOM 5 CB VAL A 1 -0.709 -11.626 -0.259 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.327 -10.538 0.029 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.244 -12.474 -1.443 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.019 -14.328 -0.037 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.026 -14.211 1.325 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.428 -13.382 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 1 0.093 -12.795 1.404 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.666 -11.164 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.443 -9.904 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.006 -9.932 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.284 -11.001 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.131 -11.840 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.713 -12.938 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.982 -13.249 -1.648 1.00 0.00 H new ATOM 19 N THR A 2 -1.931 -12.431 3.157 1.00 0.00 N ATOM 20 CA THR A 2 -2.687 -11.762 4.255 1.00 0.00 C ATOM 21 C THR A 2 -1.861 -11.759 5.545 1.00 0.00 C ATOM 22 O THR A 2 -1.079 -12.655 5.794 1.00 0.00 O ATOM 23 CB THR A 2 -3.951 -12.602 4.432 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.612 -12.731 3.181 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.884 -11.922 5.435 1.00 0.00 C ATOM 0 H THR A 2 -1.675 -13.402 3.335 1.00 0.00 H new ATOM 0 HA THR A 2 -2.916 -10.722 4.023 1.00 0.00 H new ATOM 0 HB THR A 2 -3.680 -13.590 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.422 -13.271 3.293 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.785 -12.523 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.377 -11.825 6.395 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.156 -10.933 5.066 1.00 0.00 H new ATOM 33 N VAL A 3 -2.036 -10.761 6.370 1.00 0.00 N ATOM 34 CA VAL A 3 -1.265 -10.705 7.647 1.00 0.00 C ATOM 35 C VAL A 3 -1.975 -11.536 8.717 1.00 0.00 C ATOM 36 O VAL A 3 -3.095 -11.252 9.092 1.00 0.00 O ATOM 37 CB VAL A 3 -1.245 -9.226 8.035 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.536 -9.061 9.381 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.498 -8.427 6.965 1.00 0.00 C ATOM 0 H VAL A 3 -2.678 -9.984 6.216 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.257 -11.107 7.545 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.268 -8.858 8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.522 -8.007 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.067 -9.629 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.487 -9.429 9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.484 -7.373 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.525 -8.795 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.002 -8.544 6.006 1.00 0.00 H new ATOM 49 N GLN A 4 -1.339 -12.565 9.207 1.00 0.00 N ATOM 50 CA GLN A 4 -1.993 -13.412 10.247 1.00 0.00 C ATOM 51 C GLN A 4 -1.287 -13.261 11.596 1.00 0.00 C ATOM 52 O GLN A 4 -0.086 -13.091 11.667 1.00 0.00 O ATOM 53 CB GLN A 4 -1.859 -14.845 9.731 1.00 0.00 C ATOM 54 CG GLN A 4 -0.383 -15.248 9.719 1.00 0.00 C ATOM 55 CD GLN A 4 -0.264 -16.736 9.378 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.258 -17.407 9.181 1.00 0.00 O ATOM 57 NE2 GLN A 4 0.918 -17.282 9.298 1.00 0.00 N ATOM 0 H GLN A 4 -0.400 -12.855 8.935 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.033 -13.127 10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.427 -15.526 10.365 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.276 -14.922 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.162 -14.651 8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.067 -15.049 10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.752 -16.719 9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.008 -18.272 9.070 1.00 0.00 H new ATOM 66 N ASP A 5 -2.028 -13.333 12.668 1.00 0.00 N ATOM 67 CA ASP A 5 -1.411 -13.206 14.018 1.00 0.00 C ATOM 68 C ASP A 5 -1.364 -14.576 14.697 1.00 0.00 C ATOM 69 O ASP A 5 -1.129 -14.689 15.883 1.00 0.00 O ATOM 70 CB ASP A 5 -2.329 -12.255 14.786 1.00 0.00 C ATOM 71 CG ASP A 5 -2.218 -10.849 14.194 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.311 -10.630 13.409 1.00 0.00 O ATOM 73 OD2 ASP A 5 -3.041 -10.017 14.535 1.00 0.00 O ATOM 0 H ASP A 5 -3.038 -13.475 12.666 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.388 -12.833 13.976 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.360 -12.604 14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.054 -12.240 15.841 1.00 0.00 H new ATOM 78 N GLY A 6 -1.591 -15.619 13.944 1.00 0.00 N ATOM 79 CA GLY A 6 -1.565 -16.988 14.528 1.00 0.00 C ATOM 80 C GLY A 6 -2.082 -17.983 13.488 1.00 0.00 C ATOM 81 O GLY A 6 -1.606 -18.028 12.370 1.00 0.00 O ATOM 0 H GLY A 6 -1.794 -15.580 12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.550 -17.250 14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.183 -17.026 15.425 1.00 0.00 H new ATOM 85 N ASN A 7 -3.052 -18.779 13.840 1.00 0.00 N ATOM 86 CA ASN A 7 -3.594 -19.764 12.862 1.00 0.00 C ATOM 87 C ASN A 7 -4.658 -19.102 11.983 1.00 0.00 C ATOM 88 O ASN A 7 -5.309 -19.748 11.186 1.00 0.00 O ATOM 89 CB ASN A 7 -4.213 -20.874 13.710 1.00 0.00 C ATOM 90 CG ASN A 7 -4.423 -22.117 12.841 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.733 -22.309 11.860 1.00 0.00 O ATOM 92 ND2 ASN A 7 -5.352 -22.975 13.162 1.00 0.00 N ATOM 0 H ASN A 7 -3.492 -18.791 14.760 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.823 -20.148 12.195 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.562 -21.110 14.552 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.164 -20.542 14.126 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.498 -23.806 12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.932 -22.815 13.986 1.00 0.00 H new ATOM 99 N PHE A 8 -4.841 -17.817 12.121 1.00 0.00 N ATOM 100 CA PHE A 8 -5.862 -17.115 11.293 1.00 0.00 C ATOM 101 C PHE A 8 -5.219 -15.950 10.534 1.00 0.00 C ATOM 102 O PHE A 8 -4.402 -15.224 11.068 1.00 0.00 O ATOM 103 CB PHE A 8 -6.895 -16.600 12.298 1.00 0.00 C ATOM 104 CG PHE A 8 -7.472 -17.769 13.062 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.595 -18.442 12.566 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.883 -18.180 14.263 1.00 0.00 C ATOM 107 CE1 PHE A 8 -9.129 -19.527 13.274 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.416 -19.264 14.970 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.539 -19.938 14.475 1.00 0.00 C ATOM 0 H PHE A 8 -4.327 -17.223 12.772 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.311 -17.768 10.545 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.430 -15.895 12.986 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.688 -16.062 11.779 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.049 -18.125 11.639 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.017 -17.660 14.645 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.996 -20.046 12.893 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.961 -19.580 15.897 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.950 -20.775 15.020 1.00 0.00 H new ATOM 119 N SER A 9 -5.579 -15.766 9.294 1.00 0.00 N ATOM 120 CA SER A 9 -4.988 -14.649 8.501 1.00 0.00 C ATOM 121 C SER A 9 -5.923 -13.436 8.517 1.00 0.00 C ATOM 122 O SER A 9 -7.126 -13.565 8.395 1.00 0.00 O ATOM 123 CB SER A 9 -4.846 -15.203 7.082 1.00 0.00 C ATOM 124 OG SER A 9 -6.121 -15.594 6.597 1.00 0.00 O ATOM 0 H SER A 9 -6.257 -16.341 8.794 1.00 0.00 H new ATOM 0 HA SER A 9 -4.032 -14.315 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.412 -14.448 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.167 -16.056 7.079 1.00 0.00 H new ATOM 0 HG SER A 9 -6.814 -15.047 7.022 1.00 0.00 H new ATOM 130 N PHE A 10 -5.381 -12.260 8.670 1.00 0.00 N ATOM 131 CA PHE A 10 -6.240 -11.041 8.696 1.00 0.00 C ATOM 132 C PHE A 10 -5.765 -10.034 7.643 1.00 0.00 C ATOM 133 O PHE A 10 -4.582 -9.816 7.465 1.00 0.00 O ATOM 134 CB PHE A 10 -6.069 -10.469 10.103 1.00 0.00 C ATOM 135 CG PHE A 10 -6.569 -11.468 11.121 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.766 -12.159 10.894 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.835 -11.703 12.289 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.230 -13.083 11.838 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.299 -12.629 13.233 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.496 -13.318 13.007 1.00 0.00 C ATOM 0 H PHE A 10 -4.381 -12.089 8.778 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.283 -11.265 8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.020 -10.240 10.288 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.620 -9.533 10.196 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.331 -11.979 9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.911 -11.171 12.463 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.154 -13.614 11.665 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.733 -12.811 14.135 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.854 -14.031 13.735 1.00 0.00 H new ATOM 150 N SER A 11 -6.681 -9.419 6.942 1.00 0.00 N ATOM 151 CA SER A 11 -6.284 -8.428 5.901 1.00 0.00 C ATOM 152 C SER A 11 -5.712 -7.168 6.557 1.00 0.00 C ATOM 153 O SER A 11 -5.855 -6.956 7.745 1.00 0.00 O ATOM 154 CB SER A 11 -7.577 -8.100 5.153 1.00 0.00 C ATOM 155 OG SER A 11 -7.285 -7.253 4.051 1.00 0.00 O ATOM 0 H SER A 11 -7.686 -9.560 7.046 1.00 0.00 H new ATOM 0 HA SER A 11 -5.513 -8.817 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.051 -9.018 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.284 -7.611 5.824 1.00 0.00 H new ATOM 0 HG SER A 11 -8.113 -7.044 3.571 1.00 0.00 H new ATOM 161 N LEU A 12 -5.061 -6.334 5.793 1.00 0.00 N ATOM 162 CA LEU A 12 -4.475 -5.091 6.373 1.00 0.00 C ATOM 163 C LEU A 12 -5.411 -3.900 6.136 1.00 0.00 C ATOM 164 O LEU A 12 -5.249 -2.848 6.719 1.00 0.00 O ATOM 165 CB LEU A 12 -3.156 -4.889 5.625 1.00 0.00 C ATOM 166 CG LEU A 12 -2.248 -6.102 5.843 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.733 -7.267 4.977 1.00 0.00 C ATOM 168 CD2 LEU A 12 -0.814 -5.743 5.452 1.00 0.00 C ATOM 0 H LEU A 12 -4.909 -6.459 4.792 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.328 -5.170 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.348 -4.753 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.661 -3.984 5.978 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.278 -6.392 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.086 -8.130 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.755 -7.525 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.704 -6.977 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.167 -6.607 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.785 -5.452 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.466 -4.914 6.068 1.00 0.00 H new ATOM 180 N GLU A 13 -6.384 -4.058 5.280 1.00 0.00 N ATOM 181 CA GLU A 13 -7.323 -2.932 5.003 1.00 0.00 C ATOM 182 C GLU A 13 -8.200 -2.648 6.226 1.00 0.00 C ATOM 183 O GLU A 13 -8.022 -1.662 6.914 1.00 0.00 O ATOM 184 CB GLU A 13 -8.182 -3.411 3.832 1.00 0.00 C ATOM 185 CG GLU A 13 -7.297 -3.625 2.602 1.00 0.00 C ATOM 186 CD GLU A 13 -6.499 -2.350 2.320 1.00 0.00 C ATOM 187 OE1 GLU A 13 -7.112 -1.299 2.226 1.00 0.00 O ATOM 188 OE2 GLU A 13 -5.288 -2.446 2.204 1.00 0.00 O ATOM 0 H GLU A 13 -6.570 -4.916 4.761 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.794 -2.007 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.688 -4.340 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.957 -2.677 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.619 -4.462 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.911 -3.881 1.739 1.00 0.00 H new ATOM 195 N SER A 14 -9.148 -3.501 6.499 1.00 0.00 N ATOM 196 CA SER A 14 -10.040 -3.275 7.673 1.00 0.00 C ATOM 197 C SER A 14 -9.227 -2.803 8.879 1.00 0.00 C ATOM 198 O SER A 14 -9.568 -1.835 9.532 1.00 0.00 O ATOM 199 CB SER A 14 -10.675 -4.634 7.961 1.00 0.00 C ATOM 200 OG SER A 14 -11.081 -5.235 6.741 1.00 0.00 O ATOM 0 H SER A 14 -9.344 -4.345 5.961 1.00 0.00 H new ATOM 0 HA SER A 14 -10.788 -2.508 7.474 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.963 -5.278 8.477 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.533 -4.514 8.623 1.00 0.00 H new ATOM 0 HG SER A 14 -11.487 -6.108 6.925 1.00 0.00 H new ATOM 206 N VAL A 15 -8.154 -3.478 9.182 1.00 0.00 N ATOM 207 CA VAL A 15 -7.325 -3.064 10.347 1.00 0.00 C ATOM 208 C VAL A 15 -6.848 -1.623 10.162 1.00 0.00 C ATOM 209 O VAL A 15 -6.924 -0.816 11.068 1.00 0.00 O ATOM 210 CB VAL A 15 -6.153 -4.041 10.360 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.049 -3.510 11.276 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.649 -5.391 10.879 1.00 0.00 C ATOM 0 H VAL A 15 -7.816 -4.296 8.675 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.875 -3.089 11.288 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.751 -4.154 9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.214 -4.210 11.283 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.708 -2.541 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.438 -3.399 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.822 -6.101 10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.043 -5.270 11.888 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.436 -5.765 10.225 1.00 0.00 H new ATOM 222 N LYS A 16 -6.376 -1.285 8.995 1.00 0.00 N ATOM 223 CA LYS A 16 -5.920 0.114 8.764 1.00 0.00 C ATOM 224 C LYS A 16 -7.072 1.071 9.065 1.00 0.00 C ATOM 225 O LYS A 16 -6.963 1.955 9.892 1.00 0.00 O ATOM 226 CB LYS A 16 -5.544 0.173 7.284 1.00 0.00 C ATOM 227 CG LYS A 16 -5.066 1.585 6.936 1.00 0.00 C ATOM 228 CD LYS A 16 -3.540 1.649 7.035 1.00 0.00 C ATOM 229 CE LYS A 16 -2.952 1.948 5.654 1.00 0.00 C ATOM 230 NZ LYS A 16 -3.364 0.797 4.801 1.00 0.00 N ATOM 0 H LYS A 16 -6.286 -1.912 8.196 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.081 0.397 9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.759 -0.552 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.403 -0.094 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.387 1.851 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.515 2.310 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.243 2.422 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.149 0.704 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.334 2.889 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.867 2.038 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.530 0.219 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.058 0.216 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.791 1.152 3.922 1.00 0.00 H new ATOM 244 N LYS A 17 -8.185 0.889 8.406 1.00 0.00 N ATOM 245 CA LYS A 17 -9.362 1.767 8.656 1.00 0.00 C ATOM 246 C LYS A 17 -10.103 1.302 9.913 1.00 0.00 C ATOM 247 O LYS A 17 -11.204 1.735 10.191 1.00 0.00 O ATOM 248 CB LYS A 17 -10.250 1.603 7.423 1.00 0.00 C ATOM 249 CG LYS A 17 -9.498 2.091 6.184 1.00 0.00 C ATOM 250 CD LYS A 17 -10.412 1.998 4.961 1.00 0.00 C ATOM 251 CE LYS A 17 -9.621 2.364 3.704 1.00 0.00 C ATOM 252 NZ LYS A 17 -9.420 1.071 2.991 1.00 0.00 N ATOM 0 H LYS A 17 -8.329 0.165 7.702 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.076 2.807 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.532 0.557 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.173 2.170 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.169 3.120 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.603 1.489 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.814 0.989 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.262 2.670 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.168 3.076 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.668 2.828 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.884 1.237 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.891 0.416 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.345 0.656 2.757 1.00 0.00 H new ATOM 266 N LEU A 18 -9.506 0.426 10.676 1.00 0.00 N ATOM 267 CA LEU A 18 -10.172 -0.066 11.916 1.00 0.00 C ATOM 268 C LEU A 18 -10.403 1.095 12.888 1.00 0.00 C ATOM 269 O LEU A 18 -11.443 1.202 13.506 1.00 0.00 O ATOM 270 CB LEU A 18 -9.184 -1.076 12.500 1.00 0.00 C ATOM 271 CG LEU A 18 -9.903 -2.009 13.476 1.00 0.00 C ATOM 272 CD1 LEU A 18 -8.882 -2.946 14.125 1.00 0.00 C ATOM 273 CD2 LEU A 18 -10.595 -1.183 14.561 1.00 0.00 C ATOM 0 H LEU A 18 -8.584 0.029 10.493 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.149 -0.509 11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.729 -1.657 11.698 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.377 -0.553 13.012 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.648 -2.594 12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.391 -3.612 14.821 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.388 -3.536 13.353 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.139 -2.358 14.663 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.107 -1.850 15.255 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.852 -0.597 15.102 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.321 -0.513 14.101 1.00 0.00 H new ATOM 285 N LYS A 19 -9.440 1.968 13.026 1.00 0.00 N ATOM 286 CA LYS A 19 -9.610 3.122 13.957 1.00 0.00 C ATOM 287 C LYS A 19 -10.569 4.149 13.352 1.00 0.00 C ATOM 288 O LYS A 19 -11.640 4.395 13.871 1.00 0.00 O ATOM 289 CB LYS A 19 -8.209 3.719 14.107 1.00 0.00 C ATOM 290 CG LYS A 19 -8.244 4.848 15.141 1.00 0.00 C ATOM 291 CD LYS A 19 -6.858 5.487 15.244 1.00 0.00 C ATOM 292 CE LYS A 19 -6.855 6.520 16.374 1.00 0.00 C ATOM 293 NZ LYS A 19 -7.198 5.748 17.602 1.00 0.00 N ATOM 0 H LYS A 19 -8.546 1.932 12.536 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.030 2.822 14.917 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.505 2.948 14.419 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.860 4.101 13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.981 5.597 14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.549 4.457 16.112 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.106 4.721 15.435 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.595 5.964 14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.881 6.999 16.468 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.582 7.310 16.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.655 6.119 18.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.215 5.841 17.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.963 4.745 17.458 1.00 0.00 H new ATOM 307 N ASP A 20 -10.194 4.752 12.255 1.00 0.00 N ATOM 308 CA ASP A 20 -11.086 5.761 11.617 1.00 0.00 C ATOM 309 C ASP A 20 -12.439 5.128 11.278 1.00 0.00 C ATOM 310 O ASP A 20 -13.476 5.750 11.404 1.00 0.00 O ATOM 311 CB ASP A 20 -10.356 6.183 10.341 1.00 0.00 C ATOM 312 CG ASP A 20 -9.076 6.934 10.712 1.00 0.00 C ATOM 313 OD1 ASP A 20 -8.933 7.285 11.873 1.00 0.00 O ATOM 314 OD2 ASP A 20 -8.260 7.145 9.830 1.00 0.00 O ATOM 0 H ASP A 20 -9.309 4.589 11.774 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.287 6.610 12.271 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.115 5.306 9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.000 6.818 9.734 1.00 0.00 H new ATOM 319 N LEU A 21 -12.436 3.896 10.849 1.00 0.00 N ATOM 320 CA LEU A 21 -13.719 3.221 10.503 1.00 0.00 C ATOM 321 C LEU A 21 -14.527 4.083 9.528 1.00 0.00 C ATOM 322 O LEU A 21 -15.741 4.041 9.507 1.00 0.00 O ATOM 323 CB LEU A 21 -14.461 3.074 11.830 1.00 0.00 C ATOM 324 CG LEU A 21 -15.625 2.095 11.658 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.080 0.671 11.545 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.557 2.191 12.867 1.00 0.00 C ATOM 0 H LEU A 21 -11.599 3.327 10.723 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.559 2.259 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.780 2.714 12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.833 4.044 12.160 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.179 2.345 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.908 -0.027 11.423 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.417 0.602 10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.525 0.421 12.449 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.386 1.494 12.744 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.005 1.942 13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.946 3.206 12.947 1.00 0.00 H new ATOM 518 N ARG A 33 -1.895 0.165 -0.133 1.00 0.00 N ATOM 519 CA ARG A 33 -2.666 -0.053 1.123 1.00 0.00 C ATOM 520 C ARG A 33 -1.948 0.613 2.300 1.00 0.00 C ATOM 521 O ARG A 33 -1.644 -0.019 3.292 1.00 0.00 O ATOM 522 CB ARG A 33 -2.708 -1.571 1.309 1.00 0.00 C ATOM 523 CG ARG A 33 -3.428 -2.210 0.119 1.00 0.00 C ATOM 524 CD ARG A 33 -3.525 -3.722 0.334 1.00 0.00 C ATOM 525 NE ARG A 33 -4.123 -4.248 -0.925 1.00 0.00 N ATOM 526 CZ ARG A 33 -3.365 -4.825 -1.817 1.00 0.00 C ATOM 527 NH1 ARG A 33 -2.901 -4.137 -2.823 1.00 0.00 N ATOM 528 NH2 ARG A 33 -3.072 -6.092 -1.702 1.00 0.00 N ATOM 0 HA ARG A 33 -3.667 0.376 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.696 -1.966 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.223 -1.821 2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.425 -1.783 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.888 -1.997 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.544 -4.159 0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.147 -3.960 1.197 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.125 -4.157 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.130 -3.147 -2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.309 -4.589 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.435 -6.630 -0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.480 -6.544 -2.399 1.00 0.00 H new ATOM 542 N ASN A 34 -1.673 1.884 2.194 1.00 0.00 N ATOM 543 CA ASN A 34 -0.973 2.589 3.305 1.00 0.00 C ATOM 544 C ASN A 34 -1.718 3.876 3.671 1.00 0.00 C ATOM 545 O ASN A 34 -2.322 4.516 2.832 1.00 0.00 O ATOM 546 CB ASN A 34 0.417 2.911 2.756 1.00 0.00 C ATOM 547 CG ASN A 34 1.162 1.609 2.457 1.00 0.00 C ATOM 548 OD1 ASN A 34 0.695 0.538 2.791 1.00 0.00 O ATOM 549 ND2 ASN A 34 2.311 1.656 1.840 1.00 0.00 N ATOM 0 H ASN A 34 -1.902 2.464 1.387 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.924 1.984 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.332 3.510 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.977 3.505 3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.817 0.794 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.703 2.555 1.560 1.00 0.00 H new ATOM 619 N PRO A 39 -0.036 3.008 14.818 1.00 0.00 N ATOM 620 CA PRO A 39 -1.187 2.460 15.575 1.00 0.00 C ATOM 621 C PRO A 39 -1.860 3.560 16.400 1.00 0.00 C ATOM 622 O PRO A 39 -1.222 4.494 16.846 1.00 0.00 O ATOM 623 CB PRO A 39 -0.526 1.417 16.482 1.00 0.00 C ATOM 624 CG PRO A 39 0.991 1.409 16.205 1.00 0.00 C ATOM 625 CD PRO A 39 1.304 2.459 15.131 1.00 0.00 C ATOM 0 HA PRO A 39 -1.971 2.044 14.942 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.717 1.652 17.529 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.949 0.430 16.294 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.543 1.628 17.119 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.308 0.421 15.871 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.981 3.229 15.501 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.775 2.015 14.254 1.00 0.00 H new ATOM 633 N GLY A 40 -3.145 3.459 16.605 1.00 0.00 N ATOM 634 CA GLY A 40 -3.858 4.498 17.399 1.00 0.00 C ATOM 635 C GLY A 40 -3.890 4.082 18.870 1.00 0.00 C ATOM 636 O GLY A 40 -3.170 4.612 19.693 1.00 0.00 O ATOM 0 H GLY A 40 -3.732 2.701 16.256 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.357 5.460 17.293 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.873 4.625 17.024 1.00 0.00 H new ATOM 640 N GLU A 41 -4.722 3.139 19.206 1.00 0.00 N ATOM 641 CA GLU A 41 -4.806 2.685 20.624 1.00 0.00 C ATOM 642 C GLU A 41 -5.608 1.382 20.717 1.00 0.00 C ATOM 643 O GLU A 41 -6.554 1.185 19.980 1.00 0.00 O ATOM 644 CB GLU A 41 -5.531 3.814 21.357 1.00 0.00 C ATOM 645 CG GLU A 41 -4.505 4.726 22.033 1.00 0.00 C ATOM 646 CD GLU A 41 -4.911 4.958 23.491 1.00 0.00 C ATOM 647 OE1 GLU A 41 -5.912 5.619 23.708 1.00 0.00 O ATOM 648 OE2 GLU A 41 -4.213 4.470 24.364 1.00 0.00 O ATOM 0 H GLU A 41 -5.350 2.661 18.560 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.824 2.484 21.053 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.136 4.388 20.655 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.212 3.400 22.101 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.514 4.273 21.988 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.445 5.678 21.505 1.00 0.00 H new ATOM 655 N PRO A 42 -5.203 0.534 21.627 1.00 0.00 N ATOM 656 CA PRO A 42 -5.893 -0.764 21.824 1.00 0.00 C ATOM 657 C PRO A 42 -7.342 -0.540 22.264 1.00 0.00 C ATOM 658 O PRO A 42 -7.628 0.313 23.080 1.00 0.00 O ATOM 659 CB PRO A 42 -5.072 -1.414 22.942 1.00 0.00 C ATOM 660 CG PRO A 42 -3.936 -0.453 23.346 1.00 0.00 C ATOM 661 CD PRO A 42 -4.043 0.824 22.501 1.00 0.00 C ATOM 0 HA PRO A 42 -5.949 -1.373 20.922 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.708 -1.629 23.801 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.660 -2.365 22.604 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.006 -0.211 24.406 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.967 -0.928 23.191 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.211 1.706 23.119 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.136 1.006 21.924 1.00 0.00 H new ATOM 669 N VAL A 43 -8.259 -1.300 21.731 1.00 0.00 N ATOM 670 CA VAL A 43 -9.688 -1.129 22.121 1.00 0.00 C ATOM 671 C VAL A 43 -10.387 -2.490 22.183 1.00 0.00 C ATOM 672 O VAL A 43 -10.344 -3.260 21.245 1.00 0.00 O ATOM 673 CB VAL A 43 -10.301 -0.271 21.015 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.703 1.135 21.066 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.004 -0.901 19.653 1.00 0.00 C ATOM 0 H VAL A 43 -8.081 -2.032 21.043 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.793 -0.669 23.104 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.380 -0.212 21.161 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.141 1.746 20.277 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.917 1.586 22.035 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.624 1.077 20.923 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.442 -0.288 18.865 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.925 -0.962 19.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.433 -1.902 19.614 1.00 0.00 H new ATOM 685 N VAL A 44 -11.032 -2.795 23.278 1.00 0.00 N ATOM 686 CA VAL A 44 -11.730 -4.109 23.381 1.00 0.00 C ATOM 687 C VAL A 44 -12.849 -4.055 24.426 1.00 0.00 C ATOM 688 O VAL A 44 -12.744 -4.659 25.475 1.00 0.00 O ATOM 689 CB VAL A 44 -10.650 -5.101 23.811 1.00 0.00 C ATOM 690 CG1 VAL A 44 -11.297 -6.456 24.105 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.625 -5.262 22.689 1.00 0.00 C ATOM 0 H VAL A 44 -11.105 -2.195 24.100 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.198 -4.391 22.438 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.151 -4.729 24.706 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.530 -7.167 24.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.029 -6.344 24.905 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.794 -6.824 23.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.856 -5.970 22.998 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.122 -5.634 21.793 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.165 -4.297 22.475 1.00 0.00 H new ATOM 753 N CYS A 48 -15.574 -5.611 20.710 1.00 0.00 N ATOM 754 CA CYS A 48 -14.635 -4.753 19.932 1.00 0.00 C ATOM 755 C CYS A 48 -15.159 -3.314 19.905 1.00 0.00 C ATOM 756 O CYS A 48 -16.339 -3.077 19.740 1.00 0.00 O ATOM 757 CB CYS A 48 -14.622 -5.351 18.525 1.00 0.00 C ATOM 758 SG CYS A 48 -14.188 -7.107 18.619 1.00 0.00 S ATOM 0 HA CYS A 48 -13.635 -4.725 20.364 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.600 -5.232 18.059 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.904 -4.821 17.900 1.00 0.00 H new ATOM 763 N SER A 49 -14.296 -2.350 20.077 1.00 0.00 N ATOM 764 CA SER A 49 -14.754 -0.930 20.074 1.00 0.00 C ATOM 765 C SER A 49 -15.285 -0.539 18.696 1.00 0.00 C ATOM 766 O SER A 49 -16.295 0.124 18.578 1.00 0.00 O ATOM 767 CB SER A 49 -13.515 -0.109 20.424 1.00 0.00 C ATOM 768 OG SER A 49 -12.521 -0.307 19.430 1.00 0.00 O ATOM 0 H SER A 49 -13.295 -2.483 20.219 1.00 0.00 H new ATOM 0 HA SER A 49 -15.567 -0.763 20.781 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.773 0.948 20.491 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.133 -0.406 21.401 1.00 0.00 H new ATOM 0 HG SER A 49 -12.416 0.513 18.904 1.00 0.00 H new ATOM 774 N ASN A 50 -14.614 -0.943 17.655 1.00 0.00 N ATOM 775 CA ASN A 50 -15.083 -0.596 16.281 1.00 0.00 C ATOM 776 C ASN A 50 -16.215 -1.539 15.852 1.00 0.00 C ATOM 777 O ASN A 50 -15.987 -2.711 15.621 1.00 0.00 O ATOM 778 CB ASN A 50 -13.856 -0.788 15.390 1.00 0.00 C ATOM 779 CG ASN A 50 -13.010 0.486 15.415 1.00 0.00 C ATOM 780 OD1 ASN A 50 -11.937 0.506 15.986 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.450 1.558 14.816 1.00 0.00 N ATOM 0 H ASN A 50 -13.760 -1.499 17.694 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.478 0.418 16.221 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.267 -1.636 15.740 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.165 -1.013 14.369 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.894 2.413 14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.350 1.541 14.337 1.00 0.00 H new ATOM 788 N PRO A 51 -17.405 -0.997 15.760 1.00 0.00 N ATOM 789 CA PRO A 51 -18.583 -1.804 15.364 1.00 0.00 C ATOM 790 C PRO A 51 -18.388 -2.403 13.970 1.00 0.00 C ATOM 791 O PRO A 51 -19.066 -3.335 13.585 1.00 0.00 O ATOM 792 CB PRO A 51 -19.714 -0.771 15.363 1.00 0.00 C ATOM 793 CG PRO A 51 -19.133 0.600 15.764 1.00 0.00 C ATOM 794 CD PRO A 51 -17.633 0.441 16.039 1.00 0.00 C ATOM 0 HA PRO A 51 -18.771 -2.651 16.024 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.172 -0.713 14.375 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.497 -1.068 16.060 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.296 1.326 14.967 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.641 0.980 16.650 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.032 1.080 15.392 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.379 0.700 17.067 1.00 0.00 H new ATOM 802 N ASN A 52 -17.471 -1.876 13.207 1.00 0.00 N ATOM 803 CA ASN A 52 -17.248 -2.419 11.838 1.00 0.00 C ATOM 804 C ASN A 52 -15.774 -2.781 11.632 1.00 0.00 C ATOM 805 O ASN A 52 -15.236 -2.627 10.554 1.00 0.00 O ATOM 806 CB ASN A 52 -17.659 -1.289 10.895 1.00 0.00 C ATOM 807 CG ASN A 52 -19.159 -1.028 11.031 1.00 0.00 C ATOM 808 OD1 ASN A 52 -19.966 -2.033 11.218 1.00 0.00 O flip ATOM 809 ND2 ASN A 52 -19.600 0.103 10.970 1.00 0.00 N flip ATOM 0 H ASN A 52 -16.869 -1.096 13.471 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.819 -3.331 11.662 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.099 -0.384 11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.418 -1.555 9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.968 0.890 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.602 0.265 11.065 1.00 0.00 H new ATOM 816 N PHE A 53 -15.119 -3.277 12.648 1.00 0.00 N ATOM 817 CA PHE A 53 -13.688 -3.661 12.481 1.00 0.00 C ATOM 818 C PHE A 53 -13.617 -5.031 11.807 1.00 0.00 C ATOM 819 O PHE A 53 -14.632 -5.673 11.625 1.00 0.00 O ATOM 820 CB PHE A 53 -13.106 -3.711 13.903 1.00 0.00 C ATOM 821 CG PHE A 53 -13.346 -5.072 14.523 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.647 -5.581 14.616 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.266 -5.822 15.011 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.869 -6.837 15.195 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.489 -7.080 15.590 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.790 -7.585 15.681 1.00 0.00 C ATOM 0 H PHE A 53 -15.509 -3.432 13.578 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.130 -2.961 11.859 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.037 -3.501 13.873 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.565 -2.938 14.518 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.480 -5.005 14.241 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.262 -5.431 14.941 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.873 -7.229 15.267 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.657 -7.658 15.965 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.963 -8.553 16.127 1.00 0.00 H new ATOM 836 N PRO A 54 -12.430 -5.447 11.461 1.00 0.00 N ATOM 837 CA PRO A 54 -12.259 -6.761 10.814 1.00 0.00 C ATOM 838 C PRO A 54 -12.820 -7.845 11.735 1.00 0.00 C ATOM 839 O PRO A 54 -12.092 -8.556 12.397 1.00 0.00 O ATOM 840 CB PRO A 54 -10.740 -6.869 10.661 1.00 0.00 C ATOM 841 CG PRO A 54 -10.097 -5.585 11.224 1.00 0.00 C ATOM 842 CD PRO A 54 -11.210 -4.641 11.699 1.00 0.00 C ATOM 0 HA PRO A 54 -12.775 -6.874 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.367 -7.744 11.194 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.473 -6.997 9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.430 -5.828 12.051 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.491 -5.099 10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.097 -4.375 12.750 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.222 -3.709 11.134 1.00 0.00 H new ATOM 850 N GLU A 55 -14.120 -7.950 11.796 1.00 0.00 N ATOM 851 CA GLU A 55 -14.754 -8.957 12.689 1.00 0.00 C ATOM 852 C GLU A 55 -13.959 -10.261 12.661 1.00 0.00 C ATOM 853 O GLU A 55 -13.925 -10.994 13.630 1.00 0.00 O ATOM 854 CB GLU A 55 -16.158 -9.148 12.124 1.00 0.00 C ATOM 855 CG GLU A 55 -16.940 -10.111 13.020 1.00 0.00 C ATOM 856 CD GLU A 55 -18.310 -10.385 12.396 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.555 -9.888 11.310 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.091 -11.088 13.017 1.00 0.00 O ATOM 0 H GLU A 55 -14.773 -7.377 11.261 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.782 -8.639 13.731 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.672 -8.189 12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.103 -9.542 11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.389 -11.044 13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.060 -9.683 14.015 1.00 0.00 H new ATOM 865 N GLU A 56 -13.294 -10.548 11.577 1.00 0.00 N ATOM 866 CA GLU A 56 -12.480 -11.794 11.528 1.00 0.00 C ATOM 867 C GLU A 56 -11.549 -11.819 12.744 1.00 0.00 C ATOM 868 O GLU A 56 -11.017 -12.845 13.118 1.00 0.00 O ATOM 869 CB GLU A 56 -11.679 -11.702 10.230 1.00 0.00 C ATOM 870 CG GLU A 56 -12.636 -11.737 9.036 1.00 0.00 C ATOM 871 CD GLU A 56 -11.829 -11.755 7.735 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.622 -11.601 7.809 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.434 -11.924 6.689 1.00 0.00 O ATOM 0 H GLU A 56 -13.278 -9.980 10.730 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.083 -12.702 11.551 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.095 -10.782 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.972 -12.529 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.274 -12.619 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.293 -10.867 9.057 1.00 0.00 H new ATOM 880 N LEU A 57 -11.367 -10.684 13.368 1.00 0.00 N ATOM 881 CA LEU A 57 -10.493 -10.613 14.572 1.00 0.00 C ATOM 882 C LEU A 57 -11.332 -10.858 15.831 1.00 0.00 C ATOM 883 O LEU A 57 -10.874 -10.682 16.943 1.00 0.00 O ATOM 884 CB LEU A 57 -9.929 -9.191 14.573 1.00 0.00 C ATOM 885 CG LEU A 57 -9.176 -8.937 13.267 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.511 -7.560 13.320 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.104 -10.012 13.079 1.00 0.00 C ATOM 0 H LEU A 57 -11.790 -9.798 13.091 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.700 -11.361 14.558 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.737 -8.468 14.685 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.260 -9.055 15.423 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.876 -8.971 12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.974 -7.379 12.389 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.273 -6.793 13.454 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.811 -7.526 14.155 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.567 -9.831 12.148 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.404 -9.978 13.914 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.576 -10.994 13.041 1.00 0.00 H new ATOM 899 N LYS A 58 -12.563 -11.266 15.656 1.00 0.00 N ATOM 900 CA LYS A 58 -13.442 -11.528 16.831 1.00 0.00 C ATOM 901 C LYS A 58 -12.650 -12.211 17.949 1.00 0.00 C ATOM 902 O LYS A 58 -12.676 -11.766 19.078 1.00 0.00 O ATOM 903 CB LYS A 58 -14.537 -12.457 16.306 1.00 0.00 C ATOM 904 CG LYS A 58 -15.804 -11.644 16.032 1.00 0.00 C ATOM 905 CD LYS A 58 -16.875 -12.555 15.427 1.00 0.00 C ATOM 906 CE LYS A 58 -18.235 -12.220 16.043 1.00 0.00 C ATOM 907 NZ LYS A 58 -19.230 -12.857 15.134 1.00 0.00 N ATOM 0 H LYS A 58 -12.996 -11.429 14.747 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.851 -10.609 17.251 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.204 -12.951 15.393 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.745 -13.241 17.035 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.170 -11.199 16.957 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.582 -10.823 15.350 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.911 -12.424 14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.627 -13.600 15.613 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.318 -12.611 17.057 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.387 -11.142 16.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.167 -12.851 15.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.274 -12.326 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.945 -13.838 14.940 1.00 0.00 H new ATOM 921 N PRO A 59 -11.961 -13.270 17.603 1.00 0.00 N ATOM 922 CA PRO A 59 -11.155 -13.998 18.604 1.00 0.00 C ATOM 923 C PRO A 59 -10.192 -13.036 19.299 1.00 0.00 C ATOM 924 O PRO A 59 -10.020 -13.082 20.502 1.00 0.00 O ATOM 925 CB PRO A 59 -10.417 -15.036 17.752 1.00 0.00 C ATOM 926 CG PRO A 59 -10.851 -14.865 16.282 1.00 0.00 C ATOM 927 CD PRO A 59 -11.945 -13.791 16.214 1.00 0.00 C ATOM 0 HA PRO A 59 -11.737 -14.455 19.404 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.339 -14.905 17.846 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.647 -16.043 18.100 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.999 -14.576 15.668 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.224 -15.810 15.886 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.706 -13.012 15.490 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.909 -14.210 15.925 1.00 0.00 H new ATOM 935 N LEU A 60 -9.563 -12.159 18.563 1.00 0.00 N ATOM 936 CA LEU A 60 -8.622 -11.201 19.205 1.00 0.00 C ATOM 937 C LEU A 60 -9.355 -10.387 20.271 1.00 0.00 C ATOM 938 O LEU A 60 -8.827 -10.116 21.331 1.00 0.00 O ATOM 939 CB LEU A 60 -8.139 -10.292 18.076 1.00 0.00 C ATOM 940 CG LEU A 60 -6.970 -10.960 17.349 1.00 0.00 C ATOM 941 CD1 LEU A 60 -7.503 -12.069 16.440 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.234 -9.918 16.506 1.00 0.00 C ATOM 0 H LEU A 60 -9.660 -12.066 17.552 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.792 -11.706 19.699 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.953 -10.098 17.377 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.828 -9.328 18.479 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.283 -11.388 18.079 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.671 -12.546 15.921 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.029 -12.811 17.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.189 -11.642 15.709 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.401 -10.392 15.987 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.920 -9.491 15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.855 -9.127 17.154 1.00 0.00 H new ATOM 954 N CYS A 61 -10.572 -9.997 20.004 1.00 0.00 N ATOM 955 CA CYS A 61 -11.333 -9.203 21.010 1.00 0.00 C ATOM 956 C CYS A 61 -11.623 -10.050 22.253 1.00 0.00 C ATOM 957 O CYS A 61 -11.755 -9.538 23.347 1.00 0.00 O ATOM 958 CB CYS A 61 -12.637 -8.826 20.307 1.00 0.00 C ATOM 959 SG CYS A 61 -12.367 -7.362 19.278 1.00 0.00 S ATOM 0 H CYS A 61 -11.071 -10.193 19.136 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.778 -8.328 21.347 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.984 -9.656 19.692 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.415 -8.627 21.044 1.00 0.00 H new ATOM 964 N LYS A 62 -11.737 -11.339 22.093 1.00 0.00 N ATOM 965 CA LYS A 62 -12.033 -12.210 23.266 1.00 0.00 C ATOM 966 C LYS A 62 -10.741 -12.679 23.947 1.00 0.00 C ATOM 967 O LYS A 62 -10.773 -13.479 24.860 1.00 0.00 O ATOM 968 CB LYS A 62 -12.800 -13.400 22.689 1.00 0.00 C ATOM 969 CG LYS A 62 -14.123 -12.911 22.095 1.00 0.00 C ATOM 970 CD LYS A 62 -14.937 -14.108 21.600 1.00 0.00 C ATOM 971 CE LYS A 62 -15.598 -14.805 22.791 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.881 -16.188 22.314 1.00 0.00 N ATOM 0 H LYS A 62 -11.638 -11.827 21.203 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.604 -11.681 24.029 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.204 -13.893 21.921 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.989 -14.138 23.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.689 -12.359 22.846 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.931 -12.223 21.271 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.697 -13.777 20.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.290 -14.807 21.070 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.940 -14.813 23.660 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.514 -14.295 23.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.336 -16.732 23.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.515 -16.148 21.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.990 -16.651 22.043 1.00 0.00 H new ATOM 986 N GLU A 63 -9.606 -12.189 23.522 1.00 0.00 N ATOM 987 CA GLU A 63 -8.332 -12.620 24.169 1.00 0.00 C ATOM 988 C GLU A 63 -7.581 -11.404 24.729 1.00 0.00 C ATOM 989 O GLU A 63 -7.680 -10.316 24.198 1.00 0.00 O ATOM 990 CB GLU A 63 -7.523 -13.296 23.061 1.00 0.00 C ATOM 991 CG GLU A 63 -7.276 -12.304 21.925 1.00 0.00 C ATOM 992 CD GLU A 63 -6.315 -12.925 20.911 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.782 -13.653 20.050 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.127 -12.663 21.009 1.00 0.00 O ATOM 0 H GLU A 63 -9.506 -11.516 22.762 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.506 -13.295 25.007 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.573 -13.653 23.458 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.060 -14.167 22.686 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.218 -12.047 21.440 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.858 -11.378 22.320 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.864 -11.633 25.798 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.093 -10.551 26.462 1.00 0.00 C ATOM 1003 C PRO A 64 -4.996 -9.995 25.544 1.00 0.00 C ATOM 1004 O PRO A 64 -4.507 -8.901 25.746 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.480 -11.269 27.667 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.923 -12.746 27.645 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.786 -12.984 26.399 1.00 0.00 C ATOM 0 HA PRO A 64 -6.707 -9.691 26.728 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.393 -11.201 27.634 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.801 -10.793 28.593 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.052 -13.401 27.632 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.488 -12.984 28.546 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.328 -13.704 25.720 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.772 -13.371 26.657 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.598 -10.734 24.547 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.524 -10.236 23.637 1.00 0.00 C ATOM 1017 C ASN A 65 -4.099 -9.254 22.611 1.00 0.00 C ATOM 1018 O ASN A 65 -3.373 -8.592 21.898 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.987 -11.486 22.940 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.363 -12.420 23.979 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.109 -12.020 25.098 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.101 -13.656 23.653 1.00 0.00 N ATOM 0 H ASN A 65 -4.967 -11.658 24.322 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.744 -9.701 24.179 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.793 -11.997 22.414 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.244 -11.208 22.192 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.683 -14.286 24.337 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.314 -13.992 22.714 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.397 -9.156 22.531 1.00 0.00 N ATOM 1030 CA ALA A 66 -6.016 -8.218 21.551 1.00 0.00 C ATOM 1031 C ALA A 66 -5.345 -6.842 21.621 1.00 0.00 C ATOM 1032 O ALA A 66 -5.032 -6.242 20.612 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.477 -8.110 21.981 1.00 0.00 C ATOM 0 H ALA A 66 -6.057 -9.685 23.102 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.908 -8.572 20.526 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.005 -7.435 21.308 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.941 -9.096 21.944 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.529 -7.722 22.998 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.132 -6.335 22.803 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.492 -4.994 22.936 1.00 0.00 C ATOM 1041 C GLN A 67 -3.110 -4.990 22.277 1.00 0.00 C ATOM 1042 O GLN A 67 -2.743 -4.054 21.594 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.368 -4.762 24.441 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.766 -4.659 25.057 1.00 0.00 C ATOM 1045 CD GLN A 67 -5.641 -4.407 26.560 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.571 -4.533 27.122 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -6.698 -4.056 27.240 1.00 0.00 N ATOM 0 H GLN A 67 -5.373 -6.790 23.683 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.074 -4.213 22.447 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.815 -5.580 24.902 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.805 -3.849 24.634 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.324 -3.850 24.586 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.324 -5.578 24.876 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.596 -3.950 26.768 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.626 -3.887 28.243 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.340 -6.024 22.472 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.985 -6.067 21.853 1.00 0.00 C ATOM 1058 C GLU A 68 -1.096 -6.404 20.363 1.00 0.00 C ATOM 1059 O GLU A 68 -0.303 -5.961 19.556 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.240 -7.172 22.601 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.006 -6.736 24.048 1.00 0.00 C ATOM 1062 CD GLU A 68 0.851 -5.470 24.067 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.447 -5.167 23.046 1.00 0.00 O ATOM 1064 OE2 GLU A 68 0.897 -4.824 25.101 1.00 0.00 O ATOM 0 H GLU A 68 -2.589 -6.840 23.032 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.468 -5.110 21.924 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.817 -8.096 22.577 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.713 -7.378 22.113 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.960 -6.550 24.542 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.490 -7.532 24.603 1.00 0.00 H new ATOM 1071 N ILE A 69 -2.075 -7.181 19.992 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.235 -7.540 18.554 1.00 0.00 C ATOM 1073 C ILE A 69 -2.790 -6.348 17.772 1.00 0.00 C ATOM 1074 O ILE A 69 -2.313 -6.015 16.704 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.233 -8.696 18.534 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.650 -9.891 19.288 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.515 -9.095 17.083 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.721 -10.976 19.428 1.00 0.00 C ATOM 0 H ILE A 69 -2.771 -7.583 20.621 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.286 -7.815 18.094 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.160 -8.385 19.015 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.785 -10.285 18.754 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.302 -9.579 20.273 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.227 -9.920 17.064 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.932 -8.243 16.546 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.587 -9.406 16.604 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.307 -11.829 19.966 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.572 -10.578 19.980 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.048 -11.295 18.438 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.800 -5.706 18.293 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.392 -4.539 17.580 1.00 0.00 C ATOM 1092 C LEU A 70 -3.296 -3.566 17.139 1.00 0.00 C ATOM 1093 O LEU A 70 -3.136 -3.290 15.967 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.319 -3.880 18.604 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.936 -2.611 18.005 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -5.008 -1.422 18.265 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -6.126 -2.789 16.495 1.00 0.00 C ATOM 0 H LEU A 70 -4.241 -5.940 19.183 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.925 -4.837 16.677 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.106 -4.575 18.896 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.761 -3.633 19.507 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.905 -2.428 18.470 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.446 -0.519 17.839 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.877 -1.291 19.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.039 -1.609 17.802 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.565 -1.884 16.074 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.160 -2.976 16.026 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.789 -3.634 16.309 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.534 -3.046 18.064 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.450 -2.093 17.685 1.00 0.00 C ATOM 1111 C GLN A 71 -0.608 -2.679 16.550 1.00 0.00 C ATOM 1112 O GLN A 71 -0.409 -2.057 15.525 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.605 -1.931 18.949 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.430 -1.229 20.028 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.596 -1.101 21.304 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.147 -1.998 21.651 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.685 -0.014 22.020 1.00 0.00 N ATOM 0 H GLN A 71 -2.615 -3.239 19.062 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.842 -1.139 17.332 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.275 -2.907 19.306 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.292 -1.352 18.728 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.738 -0.242 19.681 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.340 -1.794 20.230 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.309 0.739 21.729 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.131 0.083 22.871 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.115 -3.874 16.723 1.00 0.00 N ATOM 1127 CA ARG A 72 0.712 -4.505 15.654 1.00 0.00 C ATOM 1128 C ARG A 72 -0.029 -4.443 14.317 1.00 0.00 C ATOM 1129 O ARG A 72 0.484 -3.946 13.334 1.00 0.00 O ATOM 1130 CB ARG A 72 0.895 -5.956 16.102 1.00 0.00 C ATOM 1131 CG ARG A 72 1.914 -6.649 15.196 1.00 0.00 C ATOM 1132 CD ARG A 72 2.052 -8.115 15.610 1.00 0.00 C ATOM 1133 NE ARG A 72 2.517 -8.069 17.025 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.789 -8.163 17.297 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.255 -9.238 17.872 1.00 0.00 N ATOM 1136 NH2 ARG A 72 4.595 -7.182 16.996 1.00 0.00 N ATOM 0 H ARG A 72 -0.249 -4.442 17.559 1.00 0.00 H new ATOM 0 HA ARG A 72 1.668 -4.001 15.513 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.234 -5.987 17.138 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.059 -6.482 16.063 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.596 -6.582 14.156 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.879 -6.148 15.267 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.102 -8.642 15.523 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.767 -8.640 14.976 1.00 0.00 H new ATOM 0 HE ARG A 72 1.840 -7.964 17.781 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.624 -10.004 18.108 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.250 -9.312 18.085 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.230 -6.341 16.548 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.590 -7.256 17.209 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.235 -4.939 14.276 1.00 0.00 N ATOM 1151 CA LEU A 73 -2.011 -4.906 13.005 1.00 0.00 C ATOM 1152 C LEU A 73 -2.017 -3.489 12.428 1.00 0.00 C ATOM 1153 O LEU A 73 -1.749 -3.282 11.261 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.426 -5.329 13.397 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.401 -6.771 13.906 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.830 -7.233 14.198 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.778 -7.676 12.842 1.00 0.00 C ATOM 0 H LEU A 73 -1.716 -5.366 15.068 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.585 -5.559 12.243 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.815 -4.666 14.169 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.093 -5.246 12.539 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.809 -6.825 14.820 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.813 -8.261 14.561 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.273 -6.588 14.956 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.423 -7.180 13.285 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.760 -8.704 13.204 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.370 -7.624 11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.760 -7.346 12.635 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.323 -2.510 13.236 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.346 -1.109 12.728 1.00 0.00 C ATOM 1171 C GLU A 74 -1.020 -0.779 12.037 1.00 0.00 C ATOM 1172 O GLU A 74 -0.994 -0.260 10.939 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.535 -0.236 13.968 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.860 -0.589 14.647 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.095 0.356 15.827 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.129 0.930 16.303 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.238 0.490 16.234 1.00 0.00 O ATOM 0 H GLU A 74 -2.557 -2.619 14.223 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.137 -0.949 11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.708 -0.388 14.661 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.527 0.817 13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.680 -0.508 13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.840 -1.622 14.993 1.00 0.00 H new ATOM 1184 N GLU A 75 0.080 -1.080 12.672 1.00 0.00 N ATOM 1185 CA GLU A 75 1.402 -0.785 12.049 1.00 0.00 C ATOM 1186 C GLU A 75 1.506 -1.480 10.690 1.00 0.00 C ATOM 1187 O GLU A 75 1.844 -0.870 9.696 1.00 0.00 O ATOM 1188 CB GLU A 75 2.433 -1.348 13.026 1.00 0.00 C ATOM 1189 CG GLU A 75 3.841 -0.995 12.545 1.00 0.00 C ATOM 1190 CD GLU A 75 4.874 -1.657 13.459 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.467 -2.361 14.369 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.055 -1.450 13.233 1.00 0.00 O ATOM 0 H GLU A 75 0.121 -1.516 13.593 1.00 0.00 H new ATOM 0 HA GLU A 75 1.552 0.280 11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.265 -0.940 14.023 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.324 -2.430 13.102 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.981 -1.331 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.977 0.086 12.548 1.00 0.00 H new ATOM 1199 N ILE A 76 1.213 -2.751 10.637 1.00 0.00 N ATOM 1200 CA ILE A 76 1.290 -3.477 9.338 1.00 0.00 C ATOM 1201 C ILE A 76 0.279 -2.884 8.355 1.00 0.00 C ATOM 1202 O ILE A 76 0.542 -2.759 7.176 1.00 0.00 O ATOM 1203 CB ILE A 76 0.937 -4.927 9.668 1.00 0.00 C ATOM 1204 CG1 ILE A 76 1.880 -5.445 10.756 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.084 -5.787 8.411 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.326 -5.120 10.373 1.00 0.00 C ATOM 0 H ILE A 76 0.924 -3.317 11.435 1.00 0.00 H new ATOM 0 HA ILE A 76 2.273 -3.400 8.874 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.092 -4.979 10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.634 -4.987 11.714 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.757 -6.521 10.877 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.832 -6.821 8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.412 -5.417 7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.112 -5.736 8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.999 -5.488 11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.568 -5.599 9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.443 -4.041 10.275 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.872 -2.503 8.834 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.889 -1.906 7.927 1.00 0.00 C ATOM 1220 C ALA A 77 -1.287 -0.694 7.213 1.00 0.00 C ATOM 1221 O ALA A 77 -1.600 -0.407 6.074 1.00 0.00 O ATOM 1222 CB ALA A 77 -3.037 -1.477 8.842 1.00 0.00 C ATOM 0 H ALA A 77 -1.151 -2.579 9.812 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.227 -2.602 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.829 -1.026 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.429 -2.348 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.672 -0.751 9.568 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.422 0.019 7.882 1.00 0.00 N ATOM 1229 CA GLU A 78 0.211 1.216 7.257 1.00 0.00 C ATOM 1230 C GLU A 78 1.042 0.808 6.034 1.00 0.00 C ATOM 1231 O GLU A 78 1.031 1.472 5.018 1.00 0.00 O ATOM 1232 CB GLU A 78 1.111 1.798 8.346 1.00 0.00 C ATOM 1233 CG GLU A 78 1.823 3.044 7.813 1.00 0.00 C ATOM 1234 CD GLU A 78 2.766 3.590 8.887 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.888 2.953 9.919 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.350 4.636 8.657 1.00 0.00 O ATOM 0 H GLU A 78 -0.125 -0.177 8.838 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.529 1.936 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.518 2.054 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.844 1.055 8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.384 2.798 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.092 3.803 7.536 1.00 0.00 H new ATOM 1243 N ASP A 79 1.767 -0.275 6.125 1.00 0.00 N ATOM 1244 CA ASP A 79 2.599 -0.712 4.967 1.00 0.00 C ATOM 1245 C ASP A 79 2.705 -2.241 4.938 1.00 0.00 C ATOM 1246 O ASP A 79 2.338 -2.905 5.886 1.00 0.00 O ATOM 1247 CB ASP A 79 3.972 -0.086 5.212 1.00 0.00 C ATOM 1248 CG ASP A 79 4.173 1.096 4.260 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.262 0.862 3.067 1.00 0.00 O ATOM 1250 OD2 ASP A 79 4.236 2.215 4.743 1.00 0.00 O ATOM 0 H ASP A 79 1.819 -0.874 6.949 1.00 0.00 H new ATOM 0 HA ASP A 79 2.173 -0.405 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.051 0.249 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.755 -0.829 5.057 1.00 0.00 H new ATOM 1255 N PRO A 80 3.211 -2.753 3.848 1.00 0.00 N ATOM 1256 CA PRO A 80 3.368 -4.216 3.694 1.00 0.00 C ATOM 1257 C PRO A 80 4.255 -4.780 4.807 1.00 0.00 C ATOM 1258 O PRO A 80 3.864 -5.671 5.534 1.00 0.00 O ATOM 1259 CB PRO A 80 4.046 -4.338 2.326 1.00 0.00 C ATOM 1260 CG PRO A 80 4.246 -2.924 1.745 1.00 0.00 C ATOM 1261 CD PRO A 80 3.653 -1.900 2.722 1.00 0.00 C ATOM 0 HA PRO A 80 2.431 -4.769 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.006 -4.845 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.434 -4.940 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.307 -2.727 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.760 -2.843 0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.392 -1.163 3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.823 -1.350 2.279 1.00 0.00 H new ATOM 1269 N GLY A 81 5.445 -4.265 4.949 1.00 0.00 N ATOM 1270 CA GLY A 81 6.351 -4.773 6.016 1.00 0.00 C ATOM 1271 C GLY A 81 6.854 -6.165 5.635 1.00 0.00 C ATOM 1272 O GLY A 81 6.832 -7.080 6.432 1.00 0.00 O ATOM 0 H GLY A 81 5.828 -3.516 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.193 -4.093 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.822 -4.813 6.968 1.00 0.00 H new ATOM 1276 N THR A 82 7.309 -6.329 4.421 1.00 0.00 N ATOM 1277 CA THR A 82 7.820 -7.661 3.969 1.00 0.00 C ATOM 1278 C THR A 82 6.664 -8.650 3.769 1.00 0.00 C ATOM 1279 O THR A 82 6.648 -9.407 2.821 1.00 0.00 O ATOM 1280 CB THR A 82 8.765 -8.148 5.077 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.029 -8.885 6.043 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.447 -6.953 5.746 1.00 0.00 C ATOM 0 H THR A 82 7.350 -5.593 3.716 1.00 0.00 H new ATOM 0 HA THR A 82 8.334 -7.584 3.011 1.00 0.00 H new ATOM 0 HB THR A 82 9.528 -8.791 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.632 -9.183 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.115 -7.308 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.021 -6.399 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.691 -6.300 6.181 1.00 0.00 H new ATOM 1290 N CYS A 83 5.698 -8.652 4.645 1.00 0.00 N ATOM 1291 CA CYS A 83 4.555 -9.596 4.484 1.00 0.00 C ATOM 1292 C CYS A 83 4.147 -9.675 3.008 1.00 0.00 C ATOM 1293 O CYS A 83 3.966 -10.743 2.459 1.00 0.00 O ATOM 1294 CB CYS A 83 3.425 -8.998 5.324 1.00 0.00 C ATOM 1295 SG CYS A 83 2.046 -10.163 5.412 1.00 0.00 S ATOM 0 H CYS A 83 5.650 -8.044 5.462 1.00 0.00 H new ATOM 0 HA CYS A 83 4.803 -10.609 4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.786 -8.771 6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.091 -8.058 4.885 1.00 0.00 H new ATOM 1300 N GLU A 84 4.002 -8.551 2.364 1.00 0.00 N ATOM 1301 CA GLU A 84 3.602 -8.559 0.927 1.00 0.00 C ATOM 1302 C GLU A 84 4.667 -9.245 0.064 1.00 0.00 C ATOM 1303 O GLU A 84 4.354 -10.013 -0.822 1.00 0.00 O ATOM 1304 CB GLU A 84 3.475 -7.085 0.545 1.00 0.00 C ATOM 1305 CG GLU A 84 2.962 -6.974 -0.893 1.00 0.00 C ATOM 1306 CD GLU A 84 2.890 -5.501 -1.297 1.00 0.00 C ATOM 1307 OE1 GLU A 84 3.255 -4.666 -0.485 1.00 0.00 O ATOM 1308 OE2 GLU A 84 2.470 -5.232 -2.411 1.00 0.00 O ATOM 0 H GLU A 84 4.143 -7.626 2.770 1.00 0.00 H new ATOM 0 HA GLU A 84 2.675 -9.110 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.791 -6.579 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.442 -6.590 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.624 -7.516 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.977 -7.433 -0.975 1.00 0.00 H new ATOM 1315 N ILE A 85 5.922 -8.972 0.306 1.00 0.00 N ATOM 1316 CA ILE A 85 6.989 -9.614 -0.519 1.00 0.00 C ATOM 1317 C ILE A 85 7.341 -10.998 0.038 1.00 0.00 C ATOM 1318 O ILE A 85 8.381 -11.551 -0.257 1.00 0.00 O ATOM 1319 CB ILE A 85 8.192 -8.667 -0.433 1.00 0.00 C ATOM 1320 CG1 ILE A 85 8.906 -8.850 0.907 1.00 0.00 C ATOM 1321 CG2 ILE A 85 7.711 -7.219 -0.559 1.00 0.00 C ATOM 1322 CD1 ILE A 85 9.862 -7.677 1.140 1.00 0.00 C ATOM 0 H ILE A 85 6.253 -8.338 1.033 1.00 0.00 H new ATOM 0 HA ILE A 85 6.671 -9.767 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 85 8.885 -8.896 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.177 -8.905 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.458 -9.790 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.566 -6.545 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.210 -7.084 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.014 -6.995 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.371 -7.807 2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.599 -7.643 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.297 -6.745 1.154 1.00 0.00 H new ATOM 1334 N CYS A 86 6.477 -11.563 0.837 1.00 0.00 N ATOM 1335 CA CYS A 86 6.755 -12.913 1.408 1.00 0.00 C ATOM 1336 C CYS A 86 8.125 -12.938 2.090 1.00 0.00 C ATOM 1337 O CYS A 86 8.677 -13.989 2.353 1.00 0.00 O ATOM 1338 CB CYS A 86 6.736 -13.862 0.210 1.00 0.00 C ATOM 1339 SG CYS A 86 5.451 -15.115 0.451 1.00 0.00 S ATOM 0 H CYS A 86 5.589 -11.148 1.120 1.00 0.00 H new ATOM 0 HA CYS A 86 6.023 -13.194 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.547 -13.303 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.709 -14.341 0.096 1.00 0.00 H new ATOM 1344 N ALA A 87 8.679 -11.794 2.385 1.00 0.00 N ATOM 1345 CA ALA A 87 10.010 -11.766 3.055 1.00 0.00 C ATOM 1346 C ALA A 87 9.885 -12.318 4.478 1.00 0.00 C ATOM 1347 O ALA A 87 10.845 -12.773 5.067 1.00 0.00 O ATOM 1348 CB ALA A 87 10.411 -10.291 3.078 1.00 0.00 C ATOM 0 H ALA A 87 8.269 -10.880 2.192 1.00 0.00 H new ATOM 0 HA ALA A 87 10.752 -12.376 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.384 -10.186 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.467 -9.913 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.668 -9.721 3.636 1.00 0.00 H new ATOM 1354 N TYR A 88 8.701 -12.286 5.029 1.00 0.00 N ATOM 1355 CA TYR A 88 8.500 -12.812 6.409 1.00 0.00 C ATOM 1356 C TYR A 88 7.282 -13.741 6.437 1.00 0.00 C ATOM 1357 O TYR A 88 6.531 -13.823 5.486 1.00 0.00 O ATOM 1358 CB TYR A 88 8.248 -11.578 7.278 1.00 0.00 C ATOM 1359 CG TYR A 88 9.551 -10.846 7.508 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.201 -10.226 6.436 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.105 -10.788 8.791 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.407 -9.546 6.646 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.310 -10.108 9.003 1.00 0.00 C ATOM 1364 CZ TYR A 88 11.962 -9.487 7.930 1.00 0.00 C ATOM 1365 OH TYR A 88 13.150 -8.817 8.138 1.00 0.00 O ATOM 0 H TYR A 88 7.862 -11.917 4.581 1.00 0.00 H new ATOM 0 HA TYR A 88 9.357 -13.386 6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.529 -10.918 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.813 -11.875 8.232 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.773 -10.272 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.603 -11.268 9.618 1.00 0.00 H new ATOM 0 HE1 TYR A 88 11.909 -9.067 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.737 -10.062 9.994 1.00 0.00 H new ATOM 0 HH TYR A 88 13.395 -8.871 9.085 1.00 0.00 H new ATOM 1375 N ALA A 89 7.077 -14.440 7.519 1.00 0.00 N ATOM 1376 CA ALA A 89 5.903 -15.357 7.599 1.00 0.00 C ATOM 1377 C ALA A 89 4.638 -14.564 7.937 1.00 0.00 C ATOM 1378 O ALA A 89 3.560 -15.113 8.054 1.00 0.00 O ATOM 1379 CB ALA A 89 6.240 -16.336 8.723 1.00 0.00 C ATOM 0 H ALA A 89 7.669 -14.417 8.349 1.00 0.00 H new ATOM 0 HA ALA A 89 5.714 -15.871 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.422 -17.046 8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.154 -16.875 8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.384 -15.786 9.653 1.00 0.00 H new ATOM 1385 N ALA A 90 4.762 -13.275 8.095 1.00 0.00 N ATOM 1386 CA ALA A 90 3.570 -12.442 8.427 1.00 0.00 C ATOM 1387 C ALA A 90 2.502 -12.577 7.339 1.00 0.00 C ATOM 1388 O ALA A 90 1.326 -12.389 7.584 1.00 0.00 O ATOM 1389 CB ALA A 90 4.094 -11.007 8.482 1.00 0.00 C ATOM 0 H ALA A 90 5.639 -12.761 8.008 1.00 0.00 H new ATOM 0 HA ALA A 90 3.106 -12.747 9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.275 -10.329 8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.865 -10.930 9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.517 -10.737 7.514 1.00 0.00 H new ATOM 1395 N CYS A 91 2.900 -12.895 6.136 1.00 0.00 N ATOM 1396 CA CYS A 91 1.904 -13.030 5.035 1.00 0.00 C ATOM 1397 C CYS A 91 1.773 -14.491 4.597 1.00 0.00 C ATOM 1398 O CYS A 91 2.749 -15.150 4.299 1.00 0.00 O ATOM 1399 CB CYS A 91 2.464 -12.183 3.895 1.00 0.00 C ATOM 1400 SG CYS A 91 1.433 -10.711 3.678 1.00 0.00 S ATOM 0 H CYS A 91 3.869 -13.067 5.869 1.00 0.00 H new ATOM 0 HA CYS A 91 0.910 -12.706 5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.491 -11.892 4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.487 -12.764 2.973 1.00 0.00 H new ATOM 1405 N THR A 92 0.572 -14.999 4.551 1.00 0.00 N ATOM 1406 CA THR A 92 0.376 -16.415 4.125 1.00 0.00 C ATOM 1407 C THR A 92 -0.397 -16.464 2.803 1.00 0.00 C ATOM 1408 O THR A 92 -1.010 -15.496 2.398 1.00 0.00 O ATOM 1409 CB THR A 92 -0.440 -17.057 5.248 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.774 -16.574 5.196 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.181 -16.704 6.601 1.00 0.00 C ATOM 0 H THR A 92 -0.282 -14.495 4.790 1.00 0.00 H new ATOM 0 HA THR A 92 1.321 -16.933 3.961 1.00 0.00 H new ATOM 0 HB THR A 92 -0.440 -18.140 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.299 -16.986 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.402 -17.162 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.205 -17.076 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.183 -15.622 6.729 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.378 -17.582 2.131 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.118 -17.687 0.842 1.00 0.00 C ATOM 1421 C GLY A 93 -0.214 -17.248 -0.313 1.00 0.00 C ATOM 1422 O GLY A 93 -0.410 -17.639 -1.447 1.00 0.00 O ATOM 0 H GLY A 93 0.117 -18.426 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.450 -18.713 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.012 -17.064 0.873 1.00 0.00 H new ATOM 1426 N CYS A 94 0.775 -16.440 -0.034 1.00 0.00 N ATOM 1427 CA CYS A 94 1.693 -15.974 -1.116 1.00 0.00 C ATOM 1428 C CYS A 94 0.919 -15.758 -2.420 1.00 0.00 C ATOM 1429 O CYS A 94 0.310 -14.711 -2.560 1.00 0.00 O ATOM 1430 CB CYS A 94 2.717 -17.097 -1.280 1.00 0.00 C ATOM 1431 SG CYS A 94 4.307 -16.569 -0.594 1.00 0.00 S ATOM 1432 OXT CYS A 94 0.950 -16.645 -3.258 1.00 0.00 O ATOM 0 H CYS A 94 0.987 -16.082 0.897 1.00 0.00 H new ATOM 0 HA CYS A 94 2.166 -15.023 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.370 -17.997 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.830 -17.350 -2.334 1.00 0.00 H new