USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 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 Set 1.1: A 4 GLN : amide:sc= 0.79! C(o=2!,f=-3.8!) USER MOD Set 1.2: A 92 THR OG1 : rot 153:sc= 1.17 USER MOD Single : A 1 VAL N :NH3+ -122:sc= -0.0161 (180deg=-0.393) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0713 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 0.636 (180deg=0.146!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.32! C(o=-2.3!,f=-1.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.22) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.34) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 82 THR OG1 : rot -177:sc= -2.08! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.657 -12.532 -0.230 1.00 0.00 N ATOM 2 CA VAL A 1 -0.801 -12.151 0.930 1.00 0.00 C ATOM 3 C VAL A 1 -1.659 -11.528 2.035 1.00 0.00 C ATOM 4 O VAL A 1 -2.008 -10.366 1.983 1.00 0.00 O ATOM 5 CB VAL A 1 0.185 -11.124 0.375 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.868 -10.392 1.533 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.242 -11.838 -0.470 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.554 -13.550 -0.418 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.651 -12.319 -0.013 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.363 -11.994 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.291 -13.009 1.367 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.351 -10.404 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.571 -9.660 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.116 -9.883 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.404 -11.111 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.946 -11.106 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.777 -12.558 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.757 -12.359 -1.295 1.00 0.00 H new ATOM 19 N THR A 2 -2.002 -12.294 3.035 1.00 0.00 N ATOM 20 CA THR A 2 -2.839 -11.743 4.139 1.00 0.00 C ATOM 21 C THR A 2 -2.087 -11.834 5.470 1.00 0.00 C ATOM 22 O THR A 2 -1.286 -12.725 5.683 1.00 0.00 O ATOM 23 CB THR A 2 -4.087 -12.627 4.169 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.702 -12.616 2.888 1.00 0.00 O ATOM 25 CG2 THR A 2 -5.068 -12.094 5.214 1.00 0.00 C ATOM 0 H THR A 2 -1.740 -13.275 3.135 1.00 0.00 H new ATOM 0 HA THR A 2 -3.086 -10.693 3.984 1.00 0.00 H new ATOM 0 HB THR A 2 -3.805 -13.647 4.429 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.501 -13.183 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.957 -12.725 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.594 -12.103 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.353 -11.074 4.958 1.00 0.00 H new ATOM 33 N VAL A 3 -2.339 -10.920 6.369 1.00 0.00 N ATOM 34 CA VAL A 3 -1.642 -10.959 7.685 1.00 0.00 C ATOM 35 C VAL A 3 -2.371 -11.916 8.632 1.00 0.00 C ATOM 36 O VAL A 3 -3.492 -11.676 9.032 1.00 0.00 O ATOM 37 CB VAL A 3 -1.688 -9.516 8.203 1.00 0.00 C ATOM 38 CG1 VAL A 3 -2.204 -9.487 9.644 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.278 -8.926 8.160 1.00 0.00 C ATOM 0 H VAL A 3 -2.997 -10.150 6.248 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.616 -11.319 7.608 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.360 -8.931 7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.232 -8.457 10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.208 -9.910 9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.540 -10.073 10.280 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.302 -7.900 8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.385 -9.521 8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.090 -8.936 7.134 1.00 0.00 H new ATOM 49 N GLN A 4 -1.743 -13.003 8.982 1.00 0.00 N ATOM 50 CA GLN A 4 -2.403 -13.983 9.893 1.00 0.00 C ATOM 51 C GLN A 4 -1.720 -13.993 11.263 1.00 0.00 C ATOM 52 O GLN A 4 -0.551 -14.299 11.386 1.00 0.00 O ATOM 53 CB GLN A 4 -2.234 -15.336 9.201 1.00 0.00 C ATOM 54 CG GLN A 4 -3.005 -16.408 9.975 1.00 0.00 C ATOM 55 CD GLN A 4 -2.829 -17.762 9.287 1.00 0.00 C ATOM 56 OE1 GLN A 4 -2.228 -17.849 8.235 1.00 0.00 O ATOM 57 NE2 GLN A 4 -3.335 -18.831 9.839 1.00 0.00 N ATOM 0 H GLN A 4 -0.803 -13.256 8.678 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.450 -13.737 10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.600 -15.280 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.178 -15.600 9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.643 -16.461 11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.062 -16.147 10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.840 -18.759 10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.226 -19.739 9.387 1.00 0.00 H new ATOM 66 N ASP A 5 -2.450 -13.669 12.295 1.00 0.00 N ATOM 67 CA ASP A 5 -1.855 -13.670 13.662 1.00 0.00 C ATOM 68 C ASP A 5 -2.269 -14.942 14.404 1.00 0.00 C ATOM 69 O ASP A 5 -2.008 -15.103 15.580 1.00 0.00 O ATOM 70 CB ASP A 5 -2.431 -12.432 14.349 1.00 0.00 C ATOM 71 CG ASP A 5 -1.915 -11.174 13.648 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.994 -11.296 12.857 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.449 -10.110 13.914 1.00 0.00 O ATOM 0 H ASP A 5 -3.434 -13.403 12.251 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.765 -13.648 13.644 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.520 -12.459 14.317 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.144 -12.419 15.400 1.00 0.00 H new ATOM 78 N GLY A 6 -2.915 -15.847 13.721 1.00 0.00 N ATOM 79 CA GLY A 6 -3.352 -17.112 14.373 1.00 0.00 C ATOM 80 C GLY A 6 -3.847 -18.088 13.302 1.00 0.00 C ATOM 81 O GLY A 6 -3.309 -18.157 12.215 1.00 0.00 O ATOM 0 H GLY A 6 -3.160 -15.763 12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.524 -17.553 14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.146 -16.909 15.091 1.00 0.00 H new ATOM 85 N ASN A 7 -4.867 -18.842 13.602 1.00 0.00 N ATOM 86 CA ASN A 7 -5.396 -19.814 12.600 1.00 0.00 C ATOM 87 C ASN A 7 -6.310 -19.103 11.596 1.00 0.00 C ATOM 88 O ASN A 7 -6.917 -19.725 10.748 1.00 0.00 O ATOM 89 CB ASN A 7 -6.189 -20.833 13.418 1.00 0.00 C ATOM 90 CG ASN A 7 -5.244 -21.570 14.371 1.00 0.00 C ATOM 91 OD1 ASN A 7 -4.043 -21.538 14.199 1.00 0.00 O ATOM 92 ND2 ASN A 7 -5.743 -22.237 15.377 1.00 0.00 N ATOM 0 H ASN A 7 -5.358 -18.829 14.496 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.599 -20.283 12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.973 -20.330 13.984 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.681 -21.544 12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.123 -22.731 16.019 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.752 -22.263 15.521 1.00 0.00 H new ATOM 99 N PHE A 8 -6.413 -17.805 11.685 1.00 0.00 N ATOM 100 CA PHE A 8 -7.287 -17.060 10.734 1.00 0.00 C ATOM 101 C PHE A 8 -6.491 -15.953 10.036 1.00 0.00 C ATOM 102 O PHE A 8 -5.725 -15.242 10.656 1.00 0.00 O ATOM 103 CB PHE A 8 -8.393 -16.459 11.605 1.00 0.00 C ATOM 104 CG PHE A 8 -9.086 -17.562 12.367 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.548 -18.024 13.575 1.00 0.00 C ATOM 106 CD2 PHE A 8 -10.267 -18.126 11.867 1.00 0.00 C ATOM 107 CE1 PHE A 8 -9.190 -19.048 14.281 1.00 0.00 C ATOM 108 CE2 PHE A 8 -10.908 -19.149 12.573 1.00 0.00 C ATOM 109 CZ PHE A 8 -10.371 -19.611 13.781 1.00 0.00 C ATOM 0 H PHE A 8 -5.930 -17.228 12.374 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.687 -17.703 9.950 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.970 -15.733 12.299 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.111 -15.925 10.983 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.638 -17.590 13.962 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.683 -17.771 10.936 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.774 -19.404 15.212 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.818 -19.583 12.186 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.867 -20.400 14.326 1.00 0.00 H new ATOM 119 N SER A 9 -6.670 -15.797 8.753 1.00 0.00 N ATOM 120 CA SER A 9 -5.924 -14.735 8.019 1.00 0.00 C ATOM 121 C SER A 9 -6.594 -13.377 8.238 1.00 0.00 C ATOM 122 O SER A 9 -7.792 -13.236 8.101 1.00 0.00 O ATOM 123 CB SER A 9 -5.999 -15.141 6.547 1.00 0.00 C ATOM 124 OG SER A 9 -5.362 -16.398 6.370 1.00 0.00 O ATOM 0 H SER A 9 -7.300 -16.359 8.181 1.00 0.00 H new ATOM 0 HA SER A 9 -4.893 -14.641 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.039 -15.200 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.517 -14.386 5.925 1.00 0.00 H new ATOM 0 HG SER A 9 -5.411 -16.660 5.427 1.00 0.00 H new ATOM 130 N PHE A 10 -5.829 -12.378 8.587 1.00 0.00 N ATOM 131 CA PHE A 10 -6.423 -11.033 8.826 1.00 0.00 C ATOM 132 C PHE A 10 -5.941 -10.035 7.769 1.00 0.00 C ATOM 133 O PHE A 10 -4.758 -9.803 7.613 1.00 0.00 O ATOM 134 CB PHE A 10 -5.923 -10.629 10.212 1.00 0.00 C ATOM 135 CG PHE A 10 -6.319 -11.687 11.215 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.539 -12.359 11.074 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.467 -11.999 12.280 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.908 -13.342 12.000 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.836 -12.982 13.206 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.055 -13.654 13.066 1.00 0.00 C ATOM 0 H PHE A 10 -4.819 -12.436 8.717 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.511 -11.047 8.767 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.839 -10.511 10.200 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.346 -9.665 10.497 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.196 -12.119 10.251 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.525 -11.482 12.388 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.850 -13.859 11.892 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.179 -13.222 14.029 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.338 -14.413 13.780 1.00 0.00 H new ATOM 150 N SER A 11 -6.849 -9.438 7.046 1.00 0.00 N ATOM 151 CA SER A 11 -6.443 -8.449 6.005 1.00 0.00 C ATOM 152 C SER A 11 -6.029 -7.134 6.670 1.00 0.00 C ATOM 153 O SER A 11 -6.200 -6.952 7.860 1.00 0.00 O ATOM 154 CB SER A 11 -7.689 -8.246 5.141 1.00 0.00 C ATOM 155 OG SER A 11 -8.652 -7.500 5.870 1.00 0.00 O ATOM 0 H SER A 11 -7.854 -9.592 7.130 1.00 0.00 H new ATOM 0 HA SER A 11 -5.593 -8.792 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.426 -7.722 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.104 -9.211 4.850 1.00 0.00 H new ATOM 0 HG SER A 11 -9.450 -7.368 5.317 1.00 0.00 H new ATOM 161 N LEU A 12 -5.481 -6.218 5.920 1.00 0.00 N ATOM 162 CA LEU A 12 -5.052 -4.923 6.522 1.00 0.00 C ATOM 163 C LEU A 12 -6.052 -3.809 6.186 1.00 0.00 C ATOM 164 O LEU A 12 -6.007 -2.734 6.751 1.00 0.00 O ATOM 165 CB LEU A 12 -3.689 -4.625 5.893 1.00 0.00 C ATOM 166 CG LEU A 12 -2.680 -5.698 6.312 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.788 -5.946 7.818 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.972 -6.997 5.558 1.00 0.00 C ATOM 0 H LEU A 12 -5.312 -6.309 4.918 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.001 -4.978 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.777 -4.600 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.340 -3.642 6.208 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.672 -5.358 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.069 -6.710 8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.576 -5.021 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.796 -6.284 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.254 -7.760 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.981 -7.336 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.890 -6.821 4.485 1.00 0.00 H new ATOM 180 N GLU A 13 -6.952 -4.053 5.270 1.00 0.00 N ATOM 181 CA GLU A 13 -7.949 -3.004 4.900 1.00 0.00 C ATOM 182 C GLU A 13 -8.842 -2.664 6.099 1.00 0.00 C ATOM 183 O GLU A 13 -8.709 -1.622 6.709 1.00 0.00 O ATOM 184 CB GLU A 13 -8.786 -3.621 3.778 1.00 0.00 C ATOM 185 CG GLU A 13 -7.877 -4.062 2.629 1.00 0.00 C ATOM 186 CD GLU A 13 -8.729 -4.677 1.517 1.00 0.00 C ATOM 187 OE1 GLU A 13 -9.892 -4.949 1.770 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.205 -4.865 0.431 1.00 0.00 O ATOM 0 H GLU A 13 -7.040 -4.933 4.762 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.465 -2.078 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.346 -4.476 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.516 -2.897 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.318 -3.209 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.146 -4.787 2.986 1.00 0.00 H new ATOM 195 N SER A 14 -9.755 -3.536 6.436 1.00 0.00 N ATOM 196 CA SER A 14 -10.661 -3.266 7.591 1.00 0.00 C ATOM 197 C SER A 14 -9.883 -2.629 8.744 1.00 0.00 C ATOM 198 O SER A 14 -10.321 -1.670 9.353 1.00 0.00 O ATOM 199 CB SER A 14 -11.198 -4.636 8.003 1.00 0.00 C ATOM 200 OG SER A 14 -11.621 -5.344 6.846 1.00 0.00 O ATOM 0 H SER A 14 -9.913 -4.425 5.961 1.00 0.00 H new ATOM 0 HA SER A 14 -11.461 -2.574 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.425 -5.200 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.031 -4.519 8.696 1.00 0.00 H new ATOM 0 HG SER A 14 -11.964 -6.224 7.108 1.00 0.00 H new ATOM 206 N VAL A 15 -8.724 -3.146 9.043 1.00 0.00 N ATOM 207 CA VAL A 15 -7.924 -2.558 10.148 1.00 0.00 C ATOM 208 C VAL A 15 -7.566 -1.112 9.804 1.00 0.00 C ATOM 209 O VAL A 15 -7.728 -0.217 10.607 1.00 0.00 O ATOM 210 CB VAL A 15 -6.687 -3.441 10.249 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.613 -2.736 11.081 1.00 0.00 C ATOM 212 CG2 VAL A 15 -7.085 -4.755 10.926 1.00 0.00 C ATOM 0 H VAL A 15 -8.300 -3.945 8.572 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.458 -2.527 11.098 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.286 -3.638 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.730 -3.372 11.150 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.344 -1.793 10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.998 -2.540 12.082 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.211 -5.402 11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.477 -4.547 11.922 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.851 -5.253 10.332 1.00 0.00 H new ATOM 222 N LYS A 16 -7.108 -0.867 8.608 1.00 0.00 N ATOM 223 CA LYS A 16 -6.782 0.535 8.229 1.00 0.00 C ATOM 224 C LYS A 16 -8.017 1.403 8.468 1.00 0.00 C ATOM 225 O LYS A 16 -7.957 2.427 9.118 1.00 0.00 O ATOM 226 CB LYS A 16 -6.437 0.482 6.738 1.00 0.00 C ATOM 227 CG LYS A 16 -6.648 1.863 6.111 1.00 0.00 C ATOM 228 CD LYS A 16 -5.956 2.926 6.968 1.00 0.00 C ATOM 229 CE LYS A 16 -6.970 4.002 7.365 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.608 4.369 8.763 1.00 0.00 N ATOM 0 H LYS A 16 -6.947 -1.568 7.885 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.959 0.955 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.402 0.166 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.063 -0.256 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.246 1.879 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.713 2.080 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.528 2.468 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.132 3.375 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.911 4.865 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.991 3.624 7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.964 5.323 8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.034 3.687 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.574 4.354 8.869 1.00 0.00 H new ATOM 244 N LYS A 17 -9.145 0.980 7.963 1.00 0.00 N ATOM 245 CA LYS A 17 -10.397 1.759 8.172 1.00 0.00 C ATOM 246 C LYS A 17 -10.964 1.459 9.561 1.00 0.00 C ATOM 247 O LYS A 17 -12.044 1.895 9.909 1.00 0.00 O ATOM 248 CB LYS A 17 -11.354 1.267 7.087 1.00 0.00 C ATOM 249 CG LYS A 17 -10.645 1.292 5.733 1.00 0.00 C ATOM 250 CD LYS A 17 -10.465 2.742 5.279 1.00 0.00 C ATOM 251 CE LYS A 17 -9.977 2.766 3.830 1.00 0.00 C ATOM 252 NZ LYS A 17 -10.411 4.092 3.304 1.00 0.00 N ATOM 0 H LYS A 17 -9.252 0.127 7.414 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.236 2.835 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.690 0.255 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.242 1.899 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.675 0.800 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.226 0.738 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.409 3.281 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.748 3.250 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.894 2.654 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.411 1.950 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.113 4.186 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.447 4.167 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.976 4.849 3.869 1.00 0.00 H new ATOM 266 N LEU A 18 -10.240 0.722 10.358 1.00 0.00 N ATOM 267 CA LEU A 18 -10.721 0.391 11.728 1.00 0.00 C ATOM 268 C LEU A 18 -10.850 1.663 12.571 1.00 0.00 C ATOM 269 O LEU A 18 -11.588 1.707 13.532 1.00 0.00 O ATOM 270 CB LEU A 18 -9.630 -0.523 12.287 1.00 0.00 C ATOM 271 CG LEU A 18 -10.022 -1.043 13.670 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.352 -1.793 13.576 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.932 -1.995 14.176 1.00 0.00 C ATOM 0 H LEU A 18 -9.329 0.332 10.116 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.704 -0.079 11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.468 -1.361 11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.688 0.022 12.351 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.128 -0.206 14.360 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.631 -2.164 14.562 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.125 -1.118 13.210 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.248 -2.633 12.889 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.205 -2.370 15.162 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.831 -2.832 13.485 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.984 -1.461 14.241 1.00 0.00 H new ATOM 285 N LYS A 19 -10.136 2.699 12.223 1.00 0.00 N ATOM 286 CA LYS A 19 -10.226 3.960 13.016 1.00 0.00 C ATOM 287 C LYS A 19 -11.612 4.592 12.854 1.00 0.00 C ATOM 288 O LYS A 19 -12.131 5.217 13.758 1.00 0.00 O ATOM 289 CB LYS A 19 -9.148 4.877 12.436 1.00 0.00 C ATOM 290 CG LYS A 19 -9.077 6.162 13.264 1.00 0.00 C ATOM 291 CD LYS A 19 -8.068 7.124 12.631 1.00 0.00 C ATOM 292 CE LYS A 19 -7.877 8.337 13.544 1.00 0.00 C ATOM 293 NZ LYS A 19 -8.685 9.420 12.916 1.00 0.00 N ATOM 0 H LYS A 19 -9.497 2.728 11.428 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.080 3.785 14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.182 4.372 12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.376 5.113 11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.060 6.630 13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.782 5.931 14.288 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.115 6.618 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.421 7.445 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.218 8.126 14.558 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.826 8.618 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.605 10.287 13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.333 9.603 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.682 9.127 12.869 1.00 0.00 H new ATOM 307 N ASP A 20 -12.217 4.435 11.707 1.00 0.00 N ATOM 308 CA ASP A 20 -13.569 5.027 11.490 1.00 0.00 C ATOM 309 C ASP A 20 -14.597 3.919 11.240 1.00 0.00 C ATOM 310 O ASP A 20 -14.460 3.125 10.331 1.00 0.00 O ATOM 311 CB ASP A 20 -13.420 5.914 10.252 1.00 0.00 C ATOM 312 CG ASP A 20 -14.731 6.662 10.001 1.00 0.00 C ATOM 313 OD1 ASP A 20 -15.641 6.504 10.798 1.00 0.00 O ATOM 314 OD2 ASP A 20 -14.802 7.379 9.017 1.00 0.00 O ATOM 0 H ASP A 20 -11.834 3.923 10.912 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.917 5.592 12.355 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.605 6.624 10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.164 5.306 9.384 1.00 0.00 H new ATOM 319 N LEU A 21 -15.625 3.860 12.042 1.00 0.00 N ATOM 320 CA LEU A 21 -16.661 2.803 11.855 1.00 0.00 C ATOM 321 C LEU A 21 -17.702 3.252 10.825 1.00 0.00 C ATOM 322 O LEU A 21 -17.753 4.403 10.441 1.00 0.00 O ATOM 323 CB LEU A 21 -17.309 2.638 13.230 1.00 0.00 C ATOM 324 CG LEU A 21 -17.947 1.251 13.329 1.00 0.00 C ATOM 325 CD1 LEU A 21 -16.855 0.201 13.551 1.00 0.00 C ATOM 326 CD2 LEU A 21 -18.927 1.225 14.503 1.00 0.00 C ATOM 0 H LEU A 21 -15.793 4.498 12.820 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.234 1.870 11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.562 2.763 14.014 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -18.064 3.409 13.383 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.481 1.029 12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.309 -0.787 13.622 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.156 0.220 12.715 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.321 0.421 14.475 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -19.383 0.237 14.575 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -18.393 1.447 15.427 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -19.704 1.972 14.345 1.00 0.00 H new ATOM 518 N ARG A 33 -3.823 1.900 1.368 1.00 0.00 N ATOM 519 CA ARG A 33 -4.248 1.839 2.798 1.00 0.00 C ATOM 520 C ARG A 33 -3.021 1.904 3.711 1.00 0.00 C ATOM 521 O ARG A 33 -2.623 0.919 4.300 1.00 0.00 O ATOM 522 CB ARG A 33 -4.960 0.493 2.947 1.00 0.00 C ATOM 523 CG ARG A 33 -6.201 0.470 2.052 1.00 0.00 C ATOM 524 CD ARG A 33 -7.025 -0.781 2.361 1.00 0.00 C ATOM 525 NE ARG A 33 -8.069 -0.826 1.298 1.00 0.00 N ATOM 526 CZ ARG A 33 -7.755 -1.202 0.087 1.00 0.00 C ATOM 527 NH1 ARG A 33 -6.806 -2.077 -0.102 1.00 0.00 N ATOM 528 NH2 ARG A 33 -8.396 -0.704 -0.935 1.00 0.00 N ATOM 0 HA ARG A 33 -4.896 2.671 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.286 -0.319 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.246 0.334 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.801 1.365 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.907 0.475 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.404 -1.677 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.473 -0.723 3.353 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.030 -0.563 1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.307 -2.469 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.563 -2.369 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.140 -0.023 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.152 -0.996 -1.881 1.00 0.00 H new ATOM 542 N ASN A 34 -2.412 3.054 3.828 1.00 0.00 N ATOM 543 CA ASN A 34 -1.205 3.167 4.698 1.00 0.00 C ATOM 544 C ASN A 34 -1.407 4.243 5.769 1.00 0.00 C ATOM 545 O ASN A 34 -0.530 5.041 6.031 1.00 0.00 O ATOM 546 CB ASN A 34 -0.071 3.560 3.750 1.00 0.00 C ATOM 547 CG ASN A 34 -0.301 4.981 3.233 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.092 5.942 3.946 1.00 0.00 O ATOM 549 ND2 ASN A 34 -0.724 5.157 2.011 1.00 0.00 N ATOM 0 H ASN A 34 -2.696 3.916 3.362 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.995 2.238 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.886 3.502 4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.024 2.862 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.879 6.101 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.900 4.351 1.411 1.00 0.00 H new ATOM 619 N PRO A 39 -2.370 3.213 17.271 1.00 0.00 N ATOM 620 CA PRO A 39 -2.599 2.165 18.295 1.00 0.00 C ATOM 621 C PRO A 39 -2.420 2.740 19.704 1.00 0.00 C ATOM 622 O PRO A 39 -1.750 3.736 19.897 1.00 0.00 O ATOM 623 CB PRO A 39 -1.505 1.142 17.978 1.00 0.00 C ATOM 624 CG PRO A 39 -0.686 1.649 16.775 1.00 0.00 C ATOM 625 CD PRO A 39 -1.250 3.003 16.325 1.00 0.00 C ATOM 0 HA PRO A 39 -3.604 1.743 18.273 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.857 1.001 18.843 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.949 0.173 17.751 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.364 1.751 17.050 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.733 0.930 15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.506 3.796 16.395 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.592 2.977 15.290 1.00 0.00 H new ATOM 633 N GLY A 40 -3.011 2.121 20.688 1.00 0.00 N ATOM 634 CA GLY A 40 -2.869 2.631 22.081 1.00 0.00 C ATOM 635 C GLY A 40 -4.235 3.075 22.606 1.00 0.00 C ATOM 636 O GLY A 40 -4.364 4.103 23.240 1.00 0.00 O ATOM 0 H GLY A 40 -3.586 1.284 20.588 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.456 1.853 22.724 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.170 3.467 22.104 1.00 0.00 H new ATOM 640 N GLU A 41 -5.255 2.307 22.346 1.00 0.00 N ATOM 641 CA GLU A 41 -6.615 2.686 22.829 1.00 0.00 C ATOM 642 C GLU A 41 -7.201 1.569 23.700 1.00 0.00 C ATOM 643 O GLU A 41 -6.657 0.485 23.767 1.00 0.00 O ATOM 644 CB GLU A 41 -7.444 2.879 21.561 1.00 0.00 C ATOM 645 CG GLU A 41 -7.431 4.357 21.168 1.00 0.00 C ATOM 646 CD GLU A 41 -6.909 4.500 19.738 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.414 3.806 18.871 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.012 5.302 19.533 1.00 0.00 O ATOM 0 H GLU A 41 -5.208 1.434 21.821 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.601 3.586 23.444 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.038 2.272 20.752 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.468 2.544 21.728 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.436 4.773 21.243 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.800 4.921 21.855 1.00 0.00 H new ATOM 655 N PRO A 42 -8.296 1.880 24.346 1.00 0.00 N ATOM 656 CA PRO A 42 -8.971 0.902 25.233 1.00 0.00 C ATOM 657 C PRO A 42 -9.448 -0.323 24.445 1.00 0.00 C ATOM 658 O PRO A 42 -9.681 -0.258 23.255 1.00 0.00 O ATOM 659 CB PRO A 42 -10.158 1.704 25.774 1.00 0.00 C ATOM 660 CG PRO A 42 -10.117 3.121 25.168 1.00 0.00 C ATOM 661 CD PRO A 42 -8.912 3.221 24.223 1.00 0.00 C ATOM 0 HA PRO A 42 -8.321 0.507 26.014 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.095 1.211 25.517 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.113 1.757 26.862 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.040 3.326 24.626 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.039 3.867 25.959 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.216 3.435 23.199 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.225 4.012 24.524 1.00 0.00 H new ATOM 669 N VAL A 43 -9.595 -1.438 25.112 1.00 0.00 N ATOM 670 CA VAL A 43 -10.058 -2.684 24.430 1.00 0.00 C ATOM 671 C VAL A 43 -9.540 -2.748 22.991 1.00 0.00 C ATOM 672 O VAL A 43 -10.230 -2.393 22.057 1.00 0.00 O ATOM 673 CB VAL A 43 -11.590 -2.607 24.447 1.00 0.00 C ATOM 674 CG1 VAL A 43 -12.062 -1.333 23.735 1.00 0.00 C ATOM 675 CG2 VAL A 43 -12.168 -3.830 23.732 1.00 0.00 C ATOM 0 H VAL A 43 -9.412 -1.540 26.110 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.686 -3.578 24.931 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.934 -2.586 25.481 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.151 -1.288 23.753 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.655 -0.460 24.244 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.716 -1.345 22.701 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.257 -3.777 23.743 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.816 -3.849 22.701 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.844 -4.737 24.242 1.00 0.00 H new ATOM 685 N VAL A 44 -8.334 -3.211 22.794 1.00 0.00 N ATOM 686 CA VAL A 44 -7.806 -3.298 21.403 1.00 0.00 C ATOM 687 C VAL A 44 -8.134 -1.981 20.673 1.00 0.00 C ATOM 688 O VAL A 44 -8.412 -0.992 21.323 1.00 0.00 O ATOM 689 CB VAL A 44 -8.536 -4.506 20.791 1.00 0.00 C ATOM 690 CG1 VAL A 44 -7.512 -5.455 20.159 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.307 -5.269 21.873 1.00 0.00 C ATOM 0 H VAL A 44 -7.699 -3.529 23.526 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.726 -3.430 21.339 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.234 -4.144 20.036 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.029 -6.311 19.725 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.962 -4.929 19.378 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.816 -5.800 20.923 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.818 -6.121 21.424 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.612 -5.623 22.634 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.041 -4.607 22.332 1.00 0.00 H new ATOM 753 N CYS A 48 -12.261 -2.009 17.553 1.00 0.00 N ATOM 754 CA CYS A 48 -12.064 -3.485 17.551 1.00 0.00 C ATOM 755 C CYS A 48 -13.315 -4.159 18.111 1.00 0.00 C ATOM 756 O CYS A 48 -13.925 -4.989 17.467 1.00 0.00 O ATOM 757 CB CYS A 48 -10.863 -3.743 18.456 1.00 0.00 C ATOM 758 SG CYS A 48 -10.378 -5.482 18.318 1.00 0.00 S ATOM 0 HA CYS A 48 -11.893 -3.882 16.550 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.032 -3.097 18.171 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -11.113 -3.503 19.490 1.00 0.00 H new ATOM 763 N SER A 49 -13.718 -3.791 19.297 1.00 0.00 N ATOM 764 CA SER A 49 -14.946 -4.398 19.878 1.00 0.00 C ATOM 765 C SER A 49 -16.131 -4.072 18.971 1.00 0.00 C ATOM 766 O SER A 49 -17.109 -4.790 18.920 1.00 0.00 O ATOM 767 CB SER A 49 -15.112 -3.735 21.246 1.00 0.00 C ATOM 768 OG SER A 49 -15.419 -2.359 21.071 1.00 0.00 O ATOM 0 H SER A 49 -13.252 -3.100 19.885 1.00 0.00 H new ATOM 0 HA SER A 49 -14.885 -5.482 19.970 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.906 -4.227 21.807 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.197 -3.843 21.828 1.00 0.00 H new ATOM 0 HG SER A 49 -15.527 -1.934 21.947 1.00 0.00 H new ATOM 774 N ASN A 50 -16.037 -2.992 18.243 1.00 0.00 N ATOM 775 CA ASN A 50 -17.142 -2.607 17.322 1.00 0.00 C ATOM 776 C ASN A 50 -17.538 -3.800 16.445 1.00 0.00 C ATOM 777 O ASN A 50 -16.689 -4.437 15.853 1.00 0.00 O ATOM 778 CB ASN A 50 -16.553 -1.491 16.459 1.00 0.00 C ATOM 779 CG ASN A 50 -17.332 -0.196 16.689 1.00 0.00 C ATOM 780 OD1 ASN A 50 -18.421 -0.215 17.227 1.00 0.00 O ATOM 781 ND2 ASN A 50 -16.816 0.936 16.300 1.00 0.00 N ATOM 0 H ASN A 50 -15.238 -2.358 18.248 1.00 0.00 H new ATOM 0 HA ASN A 50 -18.038 -2.291 17.856 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.502 -1.343 16.706 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.596 -1.771 15.406 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -17.327 1.807 16.447 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.902 0.951 15.848 1.00 0.00 H new ATOM 788 N PRO A 51 -18.818 -4.063 16.386 1.00 0.00 N ATOM 789 CA PRO A 51 -19.333 -5.189 15.569 1.00 0.00 C ATOM 790 C PRO A 51 -19.108 -4.934 14.072 1.00 0.00 C ATOM 791 O PRO A 51 -19.493 -5.730 13.237 1.00 0.00 O ATOM 792 CB PRO A 51 -20.829 -5.184 15.900 1.00 0.00 C ATOM 793 CG PRO A 51 -21.112 -4.042 16.897 1.00 0.00 C ATOM 794 CD PRO A 51 -19.814 -3.260 17.133 1.00 0.00 C ATOM 0 HA PRO A 51 -18.840 -6.137 15.782 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.416 -5.047 14.992 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.124 -6.142 16.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -21.885 -3.381 16.505 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -21.486 -4.446 17.838 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.880 -2.240 16.754 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.568 -3.191 18.193 1.00 0.00 H new ATOM 802 N ASN A 52 -18.496 -3.834 13.723 1.00 0.00 N ATOM 803 CA ASN A 52 -18.263 -3.541 12.277 1.00 0.00 C ATOM 804 C ASN A 52 -16.766 -3.570 11.949 1.00 0.00 C ATOM 805 O ASN A 52 -16.357 -3.241 10.852 1.00 0.00 O ATOM 806 CB ASN A 52 -18.830 -2.137 12.065 1.00 0.00 C ATOM 807 CG ASN A 52 -20.316 -2.128 12.429 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.860 -1.102 12.787 1.00 0.00 O ATOM 809 ND2 ASN A 52 -21.000 -3.236 12.354 1.00 0.00 N ATOM 0 H ASN A 52 -18.148 -3.128 14.372 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.736 -4.280 11.630 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.289 -1.418 12.680 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.697 -1.832 11.027 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.991 -3.241 12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.544 -4.098 12.054 1.00 0.00 H new ATOM 816 N PHE A 53 -15.947 -3.969 12.880 1.00 0.00 N ATOM 817 CA PHE A 53 -14.480 -4.027 12.606 1.00 0.00 C ATOM 818 C PHE A 53 -14.156 -5.304 11.829 1.00 0.00 C ATOM 819 O PHE A 53 -15.047 -6.061 11.500 1.00 0.00 O ATOM 820 CB PHE A 53 -13.813 -4.043 13.985 1.00 0.00 C ATOM 821 CG PHE A 53 -13.737 -5.460 14.513 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.905 -6.220 14.651 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.497 -6.011 14.865 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.834 -7.529 15.141 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.427 -7.323 15.355 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.597 -8.080 15.493 1.00 0.00 C ATOM 0 H PHE A 53 -16.226 -4.257 13.818 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.131 -3.187 12.006 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.811 -3.618 13.917 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.378 -3.419 14.677 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.860 -5.796 14.379 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.596 -5.425 14.759 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.735 -8.115 15.248 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.472 -7.749 15.626 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.544 -9.090 15.872 1.00 0.00 H new ATOM 836 N PRO A 54 -12.893 -5.515 11.570 1.00 0.00 N ATOM 837 CA PRO A 54 -12.474 -6.728 10.842 1.00 0.00 C ATOM 838 C PRO A 54 -12.878 -7.958 11.650 1.00 0.00 C ATOM 839 O PRO A 54 -12.062 -8.609 12.269 1.00 0.00 O ATOM 840 CB PRO A 54 -10.953 -6.566 10.761 1.00 0.00 C ATOM 841 CG PRO A 54 -10.562 -5.240 11.443 1.00 0.00 C ATOM 842 CD PRO A 54 -11.831 -4.572 11.988 1.00 0.00 C ATOM 0 HA PRO A 54 -12.925 -6.852 9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.457 -7.404 11.251 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.627 -6.567 9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.856 -5.426 12.252 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.065 -4.581 10.731 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.795 -4.455 13.071 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.981 -3.579 11.565 1.00 0.00 H new ATOM 850 N GLU A 55 -14.148 -8.254 11.667 1.00 0.00 N ATOM 851 CA GLU A 55 -14.641 -9.417 12.455 1.00 0.00 C ATOM 852 C GLU A 55 -13.657 -10.581 12.349 1.00 0.00 C ATOM 853 O GLU A 55 -13.536 -11.383 13.253 1.00 0.00 O ATOM 854 CB GLU A 55 -15.983 -9.774 11.822 1.00 0.00 C ATOM 855 CG GLU A 55 -16.629 -10.921 12.602 1.00 0.00 C ATOM 856 CD GLU A 55 -17.913 -11.357 11.894 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.209 -10.798 10.851 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.578 -12.241 12.407 1.00 0.00 O ATOM 0 H GLU A 55 -14.870 -7.736 11.165 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.741 -9.192 13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.640 -8.904 11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.840 -10.064 10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.938 -11.761 12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.852 -10.603 13.620 1.00 0.00 H new ATOM 865 N GLU A 56 -12.935 -10.671 11.269 1.00 0.00 N ATOM 866 CA GLU A 56 -11.946 -11.776 11.141 1.00 0.00 C ATOM 867 C GLU A 56 -10.999 -11.743 12.344 1.00 0.00 C ATOM 868 O GLU A 56 -10.398 -12.735 12.705 1.00 0.00 O ATOM 869 CB GLU A 56 -11.186 -11.486 9.846 1.00 0.00 C ATOM 870 CG GLU A 56 -12.144 -11.602 8.660 1.00 0.00 C ATOM 871 CD GLU A 56 -11.362 -11.425 7.356 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.993 -10.302 7.059 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.145 -12.417 6.680 1.00 0.00 O ATOM 0 H GLU A 56 -12.985 -10.033 10.475 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.412 -12.761 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.753 -10.487 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.360 -12.188 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.639 -12.573 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.925 -10.846 8.734 1.00 0.00 H new ATOM 880 N LEU A 57 -10.878 -10.605 12.975 1.00 0.00 N ATOM 881 CA LEU A 57 -9.986 -10.494 14.166 1.00 0.00 C ATOM 882 C LEU A 57 -10.791 -10.756 15.441 1.00 0.00 C ATOM 883 O LEU A 57 -10.331 -10.519 16.542 1.00 0.00 O ATOM 884 CB LEU A 57 -9.466 -9.055 14.150 1.00 0.00 C ATOM 885 CG LEU A 57 -8.955 -8.706 12.751 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.523 -7.240 12.716 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.758 -9.591 12.410 1.00 0.00 C ATOM 0 H LEU A 57 -11.360 -9.745 12.716 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.171 -11.217 14.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.261 -8.368 14.439 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.664 -8.940 14.880 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.751 -8.870 12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.159 -6.992 11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.374 -6.604 12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.728 -7.078 13.444 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.394 -9.342 11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.964 -9.425 13.138 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.061 -10.638 12.435 1.00 0.00 H new ATOM 899 N LYS A 58 -11.994 -11.246 15.296 1.00 0.00 N ATOM 900 CA LYS A 58 -12.842 -11.530 16.489 1.00 0.00 C ATOM 901 C LYS A 58 -12.001 -12.129 17.620 1.00 0.00 C ATOM 902 O LYS A 58 -12.045 -11.649 18.736 1.00 0.00 O ATOM 903 CB LYS A 58 -13.881 -12.539 16.003 1.00 0.00 C ATOM 904 CG LYS A 58 -15.182 -11.807 15.668 1.00 0.00 C ATOM 905 CD LYS A 58 -16.228 -12.110 16.741 1.00 0.00 C ATOM 906 CE LYS A 58 -17.419 -12.826 16.102 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.550 -12.602 17.046 1.00 0.00 N ATOM 0 H LYS A 58 -12.427 -11.462 14.398 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.302 -10.626 16.888 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.510 -13.065 15.123 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.061 -13.291 16.771 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.004 -10.733 15.612 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.547 -12.121 14.690 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.793 -12.732 17.523 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.557 -11.185 17.215 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.641 -12.420 15.115 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.218 -13.889 15.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.406 -13.064 16.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.312 -13.005 17.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.722 -11.581 17.145 1.00 0.00 H new ATOM 921 N PRO A 59 -11.255 -13.157 17.304 1.00 0.00 N ATOM 922 CA PRO A 59 -10.401 -13.808 18.319 1.00 0.00 C ATOM 923 C PRO A 59 -9.467 -12.785 18.970 1.00 0.00 C ATOM 924 O PRO A 59 -9.303 -12.765 20.175 1.00 0.00 O ATOM 925 CB PRO A 59 -9.627 -14.843 17.498 1.00 0.00 C ATOM 926 CG PRO A 59 -10.086 -14.749 16.029 1.00 0.00 C ATOM 927 CD PRO A 59 -11.219 -13.719 15.931 1.00 0.00 C ATOM 0 HA PRO A 59 -10.957 -14.255 19.143 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.555 -14.660 17.572 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.806 -15.845 17.887 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.252 -14.455 15.391 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.429 -15.722 15.678 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.009 -12.954 15.184 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.167 -14.182 15.656 1.00 0.00 H new ATOM 935 N LEU A 60 -8.850 -11.934 18.194 1.00 0.00 N ATOM 936 CA LEU A 60 -7.933 -10.924 18.791 1.00 0.00 C ATOM 937 C LEU A 60 -8.684 -10.066 19.812 1.00 0.00 C ATOM 938 O LEU A 60 -8.176 -9.763 20.872 1.00 0.00 O ATOM 939 CB LEU A 60 -7.458 -10.072 17.616 1.00 0.00 C ATOM 940 CG LEU A 60 -6.264 -10.753 16.944 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.722 -12.065 16.303 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.690 -9.832 15.867 1.00 0.00 C ATOM 0 H LEU A 60 -8.941 -11.895 17.179 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.099 -11.386 19.319 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.267 -9.940 16.898 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.176 -9.078 17.964 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.496 -10.960 17.690 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.873 -12.552 15.824 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.131 -12.722 17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.489 -11.857 15.557 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.839 -10.318 15.389 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.456 -9.624 15.120 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.365 -8.897 16.323 1.00 0.00 H new ATOM 954 N CYS A 61 -9.891 -9.676 19.512 1.00 0.00 N ATOM 955 CA CYS A 61 -10.659 -8.842 20.478 1.00 0.00 C ATOM 956 C CYS A 61 -10.981 -9.656 21.735 1.00 0.00 C ATOM 957 O CYS A 61 -11.168 -9.114 22.806 1.00 0.00 O ATOM 958 CB CYS A 61 -11.942 -8.460 19.739 1.00 0.00 C ATOM 959 SG CYS A 61 -11.563 -7.224 18.474 1.00 0.00 S ATOM 0 H CYS A 61 -10.378 -9.897 18.643 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.102 -7.963 20.803 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.386 -9.343 19.279 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.675 -8.064 20.442 1.00 0.00 H new ATOM 964 N LYS A 62 -11.050 -10.954 21.611 1.00 0.00 N ATOM 965 CA LYS A 62 -11.363 -11.800 22.798 1.00 0.00 C ATOM 966 C LYS A 62 -10.076 -12.368 23.404 1.00 0.00 C ATOM 967 O LYS A 62 -10.106 -13.101 24.371 1.00 0.00 O ATOM 968 CB LYS A 62 -12.245 -12.926 22.259 1.00 0.00 C ATOM 969 CG LYS A 62 -13.540 -12.336 21.699 1.00 0.00 C ATOM 970 CD LYS A 62 -14.467 -13.468 21.252 1.00 0.00 C ATOM 971 CE LYS A 62 -15.708 -12.875 20.583 1.00 0.00 C ATOM 972 NZ LYS A 62 -16.797 -13.853 20.863 1.00 0.00 N ATOM 0 H LYS A 62 -10.903 -11.464 20.740 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.859 -11.234 23.587 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.716 -13.475 21.480 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.471 -13.638 23.053 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.032 -11.727 22.457 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.319 -11.680 20.857 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.946 -14.127 20.557 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.758 -14.075 22.110 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.945 -11.892 20.990 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.557 -12.748 19.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.684 -13.517 20.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.546 -14.777 20.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.922 -13.948 21.891 1.00 0.00 H new ATOM 986 N GLU A 63 -8.943 -12.035 22.844 1.00 0.00 N ATOM 987 CA GLU A 63 -7.664 -12.564 23.400 1.00 0.00 C ATOM 988 C GLU A 63 -6.894 -11.442 24.110 1.00 0.00 C ATOM 989 O GLU A 63 -6.860 -10.323 23.641 1.00 0.00 O ATOM 990 CB GLU A 63 -6.888 -13.093 22.191 1.00 0.00 C ATOM 991 CG GLU A 63 -6.075 -11.963 21.557 1.00 0.00 C ATOM 992 CD GLU A 63 -5.314 -12.505 20.345 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.943 -13.123 19.502 1.00 0.00 O ATOM 994 OE2 GLU A 63 -4.115 -12.292 20.281 1.00 0.00 O ATOM 0 H GLU A 63 -8.848 -11.425 22.032 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.824 -13.347 24.141 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.224 -13.901 22.499 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.579 -13.510 21.459 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.735 -11.151 21.253 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.376 -11.550 22.284 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.305 -11.781 25.229 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.535 -10.794 26.023 1.00 0.00 C ATOM 1003 C PRO A 64 -4.348 -10.252 25.222 1.00 0.00 C ATOM 1004 O PRO A 64 -3.823 -9.195 25.513 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.060 -11.622 27.220 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.582 -13.063 27.065 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.378 -13.164 25.757 1.00 0.00 C ATOM 0 HA PRO A 64 -6.117 -9.917 26.308 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.971 -11.619 27.273 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.426 -11.186 28.150 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.750 -13.767 27.055 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.214 -13.328 27.913 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.937 -13.885 25.068 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.407 -13.478 25.932 1.00 0.00 H new ATOM 1015 N ASN A 65 -3.908 -10.971 24.225 1.00 0.00 N ATOM 1016 CA ASN A 65 -2.742 -10.496 23.426 1.00 0.00 C ATOM 1017 C ASN A 65 -3.180 -9.433 22.414 1.00 0.00 C ATOM 1018 O ASN A 65 -2.362 -8.767 21.811 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.228 -11.739 22.701 1.00 0.00 C ATOM 1020 CG ASN A 65 -1.883 -12.821 23.727 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.334 -12.531 24.771 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.186 -14.065 23.472 1.00 0.00 N ATOM 0 H ASN A 65 -4.304 -11.864 23.930 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.977 -10.038 24.053 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.984 -12.108 22.008 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.347 -11.490 22.109 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.962 -14.794 24.150 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.647 -14.308 22.595 1.00 0.00 H new ATOM 1029 N ALA A 66 -4.460 -9.261 22.224 1.00 0.00 N ATOM 1030 CA ALA A 66 -4.930 -8.232 21.253 1.00 0.00 C ATOM 1031 C ALA A 66 -4.209 -6.907 21.510 1.00 0.00 C ATOM 1032 O ALA A 66 -3.954 -6.142 20.602 1.00 0.00 O ATOM 1033 CB ALA A 66 -6.426 -8.087 21.523 1.00 0.00 C ATOM 0 H ALA A 66 -5.197 -9.785 22.696 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.729 -8.513 20.219 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.848 -7.344 20.846 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.919 -9.046 21.363 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.580 -7.767 22.554 1.00 0.00 H new ATOM 1039 N GLN A 67 -3.874 -6.636 22.743 1.00 0.00 N ATOM 1040 CA GLN A 67 -3.162 -5.365 23.056 1.00 0.00 C ATOM 1041 C GLN A 67 -1.816 -5.335 22.331 1.00 0.00 C ATOM 1042 O GLN A 67 -1.390 -4.312 21.834 1.00 0.00 O ATOM 1043 CB GLN A 67 -2.961 -5.387 24.571 1.00 0.00 C ATOM 1044 CG GLN A 67 -4.319 -5.254 25.263 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.121 -5.244 26.780 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.101 -5.679 27.274 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -5.063 -4.763 27.545 1.00 0.00 N ATOM 0 H GLN A 67 -4.062 -7.238 23.544 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.717 -4.483 22.737 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.476 -6.316 24.872 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.304 -4.572 24.874 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.813 -4.336 24.944 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.968 -6.081 24.976 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.920 -4.397 27.130 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.942 -4.753 28.558 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.151 -6.455 22.251 1.00 0.00 N ATOM 1057 CA GLU A 68 0.156 -6.493 21.540 1.00 0.00 C ATOM 1058 C GLU A 68 -0.088 -6.580 20.033 1.00 0.00 C ATOM 1059 O GLU A 68 0.564 -5.924 19.246 1.00 0.00 O ATOM 1060 CB GLU A 68 0.853 -7.754 22.051 1.00 0.00 C ATOM 1061 CG GLU A 68 1.155 -7.598 23.542 1.00 0.00 C ATOM 1062 CD GLU A 68 1.915 -8.831 24.037 1.00 0.00 C ATOM 1063 OE1 GLU A 68 2.015 -9.782 23.281 1.00 0.00 O ATOM 1064 OE2 GLU A 68 2.382 -8.801 25.164 1.00 0.00 O ATOM 0 H GLU A 68 -1.457 -7.344 22.647 1.00 0.00 H new ATOM 0 HA GLU A 68 0.760 -5.604 21.720 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.219 -8.625 21.886 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.777 -7.922 21.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.747 -6.699 23.712 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.227 -7.479 24.102 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.036 -7.383 19.628 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.335 -7.509 18.173 1.00 0.00 C ATOM 1073 C ILE A 69 -1.917 -6.196 17.652 1.00 0.00 C ATOM 1074 O ILE A 69 -1.488 -5.670 16.645 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.378 -8.624 18.070 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -1.770 -9.947 18.541 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -2.834 -8.759 16.616 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -2.822 -11.056 18.438 1.00 0.00 C ATOM 0 H ILE A 69 -1.615 -7.956 20.242 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.444 -7.732 17.586 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.233 -8.379 18.700 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.901 -10.197 17.933 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.423 -9.854 19.570 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.577 -9.553 16.540 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.273 -7.818 16.283 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.978 -9.002 15.987 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.390 -11.999 18.773 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.678 -10.805 19.065 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.148 -11.154 17.402 1.00 0.00 H new ATOM 1090 N LEU A 70 -2.895 -5.665 18.334 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.512 -4.384 17.889 1.00 0.00 C ATOM 1092 C LEU A 70 -2.424 -3.412 17.425 1.00 0.00 C ATOM 1093 O LEU A 70 -2.332 -3.081 16.260 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.236 -3.853 19.131 1.00 0.00 C ATOM 1095 CG LEU A 70 -4.685 -2.404 18.910 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -3.547 -1.455 19.286 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.064 -2.189 17.442 1.00 0.00 C ATOM 0 H LEU A 70 -3.294 -6.065 19.183 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.193 -4.511 17.048 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.101 -4.479 19.351 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.575 -3.908 19.996 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.554 -2.201 19.536 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.866 -0.425 19.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.285 -1.598 20.334 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.678 -1.665 18.663 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.382 -1.157 17.296 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.201 -2.396 16.809 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.880 -2.861 17.175 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.598 -2.952 18.323 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.520 -2.004 17.923 1.00 0.00 C ATOM 1111 C GLN A 71 0.167 -2.491 16.645 1.00 0.00 C ATOM 1112 O GLN A 71 0.300 -1.763 15.680 1.00 0.00 O ATOM 1113 CB GLN A 71 0.466 -2.001 19.092 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.220 -1.441 20.340 1.00 0.00 C ATOM 1115 CD GLN A 71 0.782 -1.404 21.498 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.840 -1.994 21.419 1.00 0.00 O ATOM 1117 NE2 GLN A 71 0.489 -0.732 22.578 1.00 0.00 N ATOM 0 H GLN A 71 -1.622 -3.191 19.314 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.908 -1.007 17.716 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.822 -3.013 19.283 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.339 -1.398 18.843 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.600 -0.439 20.141 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.077 -2.060 20.606 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.400 -0.236 22.645 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.149 -0.703 23.355 1.00 0.00 H new ATOM 1126 N ARG A 72 0.601 -3.718 16.635 1.00 0.00 N ATOM 1127 CA ARG A 72 1.284 -4.265 15.426 1.00 0.00 C ATOM 1128 C ARG A 72 0.315 -4.292 14.239 1.00 0.00 C ATOM 1129 O ARG A 72 0.619 -3.809 13.167 1.00 0.00 O ATOM 1130 CB ARG A 72 1.705 -5.685 15.814 1.00 0.00 C ATOM 1131 CG ARG A 72 2.748 -5.618 16.933 1.00 0.00 C ATOM 1132 CD ARG A 72 3.268 -7.028 17.232 1.00 0.00 C ATOM 1133 NE ARG A 72 4.132 -6.870 18.437 1.00 0.00 N ATOM 1134 CZ ARG A 72 5.151 -7.665 18.619 1.00 0.00 C ATOM 1135 NH1 ARG A 72 6.366 -7.192 18.569 1.00 0.00 N ATOM 1136 NH2 ARG A 72 4.955 -8.934 18.855 1.00 0.00 N ATOM 0 H ARG A 72 0.513 -4.371 17.414 1.00 0.00 H new ATOM 0 HA ARG A 72 2.138 -3.659 15.123 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.837 -6.256 16.144 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.117 -6.203 14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.573 -4.970 16.637 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.307 -5.184 17.830 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.447 -7.720 17.422 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.833 -7.428 16.390 1.00 0.00 H new ATOM 0 HE ARG A 72 3.927 -6.140 19.119 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.520 -6.200 18.388 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.162 -7.814 18.711 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.005 -9.304 18.897 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.751 -9.555 18.997 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.851 -4.848 14.424 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.835 -4.897 13.306 1.00 0.00 C ATOM 1152 C LEU A 73 -1.915 -3.528 12.629 1.00 0.00 C ATOM 1153 O LEU A 73 -1.639 -3.390 11.454 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.167 -5.252 13.964 1.00 0.00 C ATOM 1155 CG LEU A 73 -4.146 -5.748 12.899 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -3.485 -6.852 12.070 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -5.399 -6.303 13.578 1.00 0.00 C ATOM 0 H LEU A 73 -1.164 -5.269 15.299 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.560 -5.620 12.538 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.017 -6.021 14.722 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.578 -4.380 14.472 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.422 -4.920 12.246 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.183 -7.205 11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.592 -6.458 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.209 -7.681 12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.097 -6.657 12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.123 -7.131 14.231 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.871 -5.518 14.168 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.285 -2.512 13.363 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.370 -1.153 12.759 1.00 0.00 C ATOM 1171 C GLU A 74 -1.070 -0.827 12.020 1.00 0.00 C ATOM 1172 O GLU A 74 -1.081 -0.396 10.884 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.555 -0.198 13.939 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.709 -0.676 14.819 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.115 0.446 15.776 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.387 1.423 15.854 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.146 0.311 16.414 1.00 0.00 O ATOM 0 H GLU A 74 -2.531 -2.565 14.351 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.185 -1.075 12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.637 -0.147 14.524 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.757 0.809 13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.558 -0.966 14.199 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.410 -1.560 15.383 1.00 0.00 H new ATOM 1184 N GLU A 75 0.053 -1.024 12.659 1.00 0.00 N ATOM 1185 CA GLU A 75 1.352 -0.721 11.996 1.00 0.00 C ATOM 1186 C GLU A 75 1.423 -1.409 10.631 1.00 0.00 C ATOM 1187 O GLU A 75 1.649 -0.776 9.618 1.00 0.00 O ATOM 1188 CB GLU A 75 2.415 -1.283 12.939 1.00 0.00 C ATOM 1189 CG GLU A 75 3.804 -0.887 12.435 1.00 0.00 C ATOM 1190 CD GLU A 75 4.871 -1.533 13.322 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.498 -2.265 14.224 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.041 -1.283 13.084 1.00 0.00 O ATOM 0 H GLU A 75 0.125 -1.382 13.611 1.00 0.00 H new ATOM 0 HA GLU A 75 1.488 0.346 11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.260 -0.901 13.948 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.332 -2.368 12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.933 -1.207 11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.912 0.198 12.449 1.00 0.00 H new ATOM 1199 N ILE A 76 1.228 -2.697 10.593 1.00 0.00 N ATOM 1200 CA ILE A 76 1.281 -3.414 9.289 1.00 0.00 C ATOM 1201 C ILE A 76 0.258 -2.806 8.329 1.00 0.00 C ATOM 1202 O ILE A 76 0.513 -2.643 7.152 1.00 0.00 O ATOM 1203 CB ILE A 76 0.922 -4.863 9.617 1.00 0.00 C ATOM 1204 CG1 ILE A 76 1.913 -5.411 10.647 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.991 -5.707 8.342 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.341 -5.089 10.203 1.00 0.00 C ATOM 0 H ILE A 76 1.035 -3.283 11.405 1.00 0.00 H new ATOM 0 HA ILE A 76 2.257 -3.342 8.809 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.088 -4.905 10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.717 -4.972 11.625 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.787 -6.489 10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.735 -6.740 8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.287 -5.316 7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.001 -5.667 7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.047 -5.479 10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.533 -5.549 9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.462 -4.009 10.122 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.895 -2.457 8.831 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.935 -1.846 7.958 1.00 0.00 C ATOM 1220 C ALA A 77 -1.359 -0.609 7.265 1.00 0.00 C ATOM 1221 O ALA A 77 -1.688 -0.305 6.136 1.00 0.00 O ATOM 1222 CB ALA A 77 -3.070 -1.454 8.904 1.00 0.00 C ATOM 0 H ALA A 77 -1.161 -2.569 9.809 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.280 -2.525 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.877 -0.995 8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.444 -2.343 9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.699 -0.744 9.643 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.497 0.102 7.939 1.00 0.00 N ATOM 1229 CA GLU A 78 0.110 1.317 7.328 1.00 0.00 C ATOM 1230 C GLU A 78 0.925 0.930 6.090 1.00 0.00 C ATOM 1231 O GLU A 78 0.871 1.583 5.069 1.00 0.00 O ATOM 1232 CB GLU A 78 1.016 1.893 8.415 1.00 0.00 C ATOM 1233 CG GLU A 78 1.563 3.248 7.962 1.00 0.00 C ATOM 1234 CD GLU A 78 2.538 3.781 9.013 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.761 3.086 9.991 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.045 4.874 8.823 1.00 0.00 O ATOM 0 H GLU A 78 -0.187 -0.107 8.888 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.639 2.038 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.458 2.007 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.838 1.207 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.067 3.146 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.744 3.953 7.819 1.00 0.00 H new ATOM 1243 N ASP A 79 1.684 -0.128 6.171 1.00 0.00 N ATOM 1244 CA ASP A 79 2.498 -0.546 4.993 1.00 0.00 C ATOM 1245 C ASP A 79 2.731 -2.058 5.018 1.00 0.00 C ATOM 1246 O ASP A 79 2.639 -2.684 6.057 1.00 0.00 O ATOM 1247 CB ASP A 79 3.826 0.197 5.137 1.00 0.00 C ATOM 1248 CG ASP A 79 4.594 -0.360 6.338 1.00 0.00 C ATOM 1249 OD1 ASP A 79 3.961 -0.631 7.345 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.799 -0.508 6.228 1.00 0.00 O ATOM 0 H ASP A 79 1.776 -0.719 6.997 1.00 0.00 H new ATOM 0 HA ASP A 79 2.001 -0.314 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.418 0.085 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.646 1.264 5.270 1.00 0.00 H new ATOM 1255 N PRO A 80 3.032 -2.594 3.867 1.00 0.00 N ATOM 1256 CA PRO A 80 3.290 -4.047 3.742 1.00 0.00 C ATOM 1257 C PRO A 80 4.469 -4.458 4.628 1.00 0.00 C ATOM 1258 O PRO A 80 4.360 -5.351 5.444 1.00 0.00 O ATOM 1259 CB PRO A 80 3.631 -4.198 2.257 1.00 0.00 C ATOM 1260 CG PRO A 80 3.554 -2.813 1.586 1.00 0.00 C ATOM 1261 CD PRO A 80 3.130 -1.778 2.636 1.00 0.00 C ATOM 0 HA PRO A 80 2.455 -4.673 4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.630 -4.619 2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.936 -4.888 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.521 -2.545 1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.839 -2.831 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.863 -0.978 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.179 -1.309 2.383 1.00 0.00 H new ATOM 1269 N GLY A 81 5.596 -3.817 4.478 1.00 0.00 N ATOM 1270 CA GLY A 81 6.773 -4.180 5.314 1.00 0.00 C ATOM 1271 C GLY A 81 7.328 -5.528 4.855 1.00 0.00 C ATOM 1272 O GLY A 81 7.390 -5.817 3.676 1.00 0.00 O ATOM 0 H GLY A 81 5.752 -3.059 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.542 -3.411 5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.485 -4.232 6.364 1.00 0.00 H new ATOM 1276 N THR A 82 7.731 -6.356 5.778 1.00 0.00 N ATOM 1277 CA THR A 82 8.282 -7.687 5.396 1.00 0.00 C ATOM 1278 C THR A 82 7.142 -8.678 5.139 1.00 0.00 C ATOM 1279 O THR A 82 7.315 -9.681 4.477 1.00 0.00 O ATOM 1280 CB THR A 82 9.115 -8.124 6.602 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.306 -8.091 7.769 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.301 -7.175 6.775 1.00 0.00 C ATOM 0 H THR A 82 7.703 -6.169 6.780 1.00 0.00 H new ATOM 0 HA THR A 82 8.875 -7.646 4.482 1.00 0.00 H new ATOM 0 HB THR A 82 9.484 -9.137 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.849 -8.326 8.550 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.894 -7.487 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.920 -7.200 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.935 -6.161 6.935 1.00 0.00 H new ATOM 1290 N CYS A 83 5.977 -8.404 5.655 1.00 0.00 N ATOM 1291 CA CYS A 83 4.835 -9.336 5.434 1.00 0.00 C ATOM 1292 C CYS A 83 4.586 -9.504 3.932 1.00 0.00 C ATOM 1293 O CYS A 83 4.409 -10.601 3.439 1.00 0.00 O ATOM 1294 CB CYS A 83 3.639 -8.666 6.115 1.00 0.00 C ATOM 1295 SG CYS A 83 2.258 -9.829 6.215 1.00 0.00 S ATOM 0 H CYS A 83 5.766 -7.580 6.217 1.00 0.00 H new ATOM 0 HA CYS A 83 5.021 -10.331 5.838 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.918 -8.332 7.114 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.340 -7.780 5.555 1.00 0.00 H new ATOM 1300 N GLU A 84 4.565 -8.424 3.201 1.00 0.00 N ATOM 1301 CA GLU A 84 4.319 -8.518 1.732 1.00 0.00 C ATOM 1302 C GLU A 84 5.418 -9.326 1.033 1.00 0.00 C ATOM 1303 O GLU A 84 5.183 -9.948 0.017 1.00 0.00 O ATOM 1304 CB GLU A 84 4.331 -7.072 1.240 1.00 0.00 C ATOM 1305 CG GLU A 84 3.960 -7.038 -0.244 1.00 0.00 C ATOM 1306 CD GLU A 84 4.141 -5.618 -0.784 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.622 -4.779 -0.042 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.794 -5.393 -1.933 1.00 0.00 O ATOM 0 H GLU A 84 4.708 -7.479 3.557 1.00 0.00 H new ATOM 0 HA GLU A 84 3.380 -9.027 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.625 -6.474 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.317 -6.633 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.587 -7.733 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.928 -7.361 -0.379 1.00 0.00 H new ATOM 1315 N ILE A 85 6.616 -9.319 1.553 1.00 0.00 N ATOM 1316 CA ILE A 85 7.710 -10.087 0.889 1.00 0.00 C ATOM 1317 C ILE A 85 7.888 -11.452 1.561 1.00 0.00 C ATOM 1318 O ILE A 85 8.798 -12.194 1.248 1.00 0.00 O ATOM 1319 CB ILE A 85 8.964 -9.224 1.046 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.494 -9.334 2.476 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.620 -7.765 0.743 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.557 -8.259 2.709 1.00 0.00 C ATOM 0 H ILE A 85 6.884 -8.820 2.401 1.00 0.00 H new ATOM 0 HA ILE A 85 7.494 -10.286 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 85 9.728 -9.572 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.678 -9.214 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.919 -10.324 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.513 -7.150 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.249 -7.683 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.853 -7.420 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.936 -8.336 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.377 -8.400 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.116 -7.273 2.560 1.00 0.00 H new ATOM 1334 N CYS A 86 7.023 -11.791 2.478 1.00 0.00 N ATOM 1335 CA CYS A 86 7.137 -13.112 3.164 1.00 0.00 C ATOM 1336 C CYS A 86 8.394 -13.159 4.037 1.00 0.00 C ATOM 1337 O CYS A 86 8.732 -14.183 4.598 1.00 0.00 O ATOM 1338 CB CYS A 86 7.233 -14.138 2.033 1.00 0.00 C ATOM 1339 SG CYS A 86 6.144 -15.537 2.393 1.00 0.00 S ATOM 0 H CYS A 86 6.241 -11.211 2.783 1.00 0.00 H new ATOM 0 HA CYS A 86 6.290 -13.305 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.951 -13.678 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.262 -14.482 1.926 1.00 0.00 H new ATOM 1344 N ALA A 87 9.087 -12.062 4.162 1.00 0.00 N ATOM 1345 CA ALA A 87 10.316 -12.054 5.006 1.00 0.00 C ATOM 1346 C ALA A 87 9.943 -12.277 6.472 1.00 0.00 C ATOM 1347 O ALA A 87 10.771 -12.623 7.291 1.00 0.00 O ATOM 1348 CB ALA A 87 10.924 -10.665 4.812 1.00 0.00 C ATOM 0 H ALA A 87 8.857 -11.173 3.718 1.00 0.00 H new ATOM 0 HA ALA A 87 11.015 -12.843 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.836 -10.581 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.160 -10.515 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.210 -9.907 5.135 1.00 0.00 H new ATOM 1354 N TYR A 88 8.698 -12.077 6.807 1.00 0.00 N ATOM 1355 CA TYR A 88 8.264 -12.273 8.219 1.00 0.00 C ATOM 1356 C TYR A 88 7.048 -13.203 8.274 1.00 0.00 C ATOM 1357 O TYR A 88 6.323 -13.350 7.311 1.00 0.00 O ATOM 1358 CB TYR A 88 7.887 -10.873 8.708 1.00 0.00 C ATOM 1359 CG TYR A 88 8.539 -10.610 10.043 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.918 -10.384 10.117 1.00 0.00 C ATOM 1361 CD2 TYR A 88 7.762 -10.586 11.208 1.00 0.00 C ATOM 1362 CE1 TYR A 88 10.522 -10.137 11.357 1.00 0.00 C ATOM 1363 CE2 TYR A 88 8.365 -10.339 12.447 1.00 0.00 C ATOM 1364 CZ TYR A 88 9.746 -10.114 12.521 1.00 0.00 C ATOM 1365 OH TYR A 88 10.339 -9.869 13.742 1.00 0.00 O ATOM 0 H TYR A 88 7.962 -11.786 6.163 1.00 0.00 H new ATOM 0 HA TYR A 88 9.041 -12.729 8.833 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.207 -10.125 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 88 6.804 -10.788 8.798 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.517 -10.400 9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.697 -10.758 11.150 1.00 0.00 H new ATOM 0 HE1 TYR A 88 11.587 -9.964 11.414 1.00 0.00 H new ATOM 0 HE2 TYR A 88 7.766 -10.322 13.345 1.00 0.00 H new ATOM 0 HH TYR A 88 9.658 -9.887 14.446 1.00 0.00 H new ATOM 1375 N ALA A 89 6.819 -13.827 9.396 1.00 0.00 N ATOM 1376 CA ALA A 89 5.647 -14.743 9.512 1.00 0.00 C ATOM 1377 C ALA A 89 4.347 -13.933 9.542 1.00 0.00 C ATOM 1378 O ALA A 89 3.266 -14.480 9.626 1.00 0.00 O ATOM 1379 CB ALA A 89 5.853 -15.482 10.835 1.00 0.00 C ATOM 0 H ALA A 89 7.391 -13.743 10.237 1.00 0.00 H new ATOM 0 HA ALA A 89 5.572 -15.431 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.030 -16.178 10.995 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.793 -16.033 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.884 -14.762 11.653 1.00 0.00 H new ATOM 1385 N ALA A 90 4.448 -12.633 9.478 1.00 0.00 N ATOM 1386 CA ALA A 90 3.221 -11.786 9.506 1.00 0.00 C ATOM 1387 C ALA A 90 2.338 -12.078 8.289 1.00 0.00 C ATOM 1388 O ALA A 90 1.128 -12.000 8.359 1.00 0.00 O ATOM 1389 CB ALA A 90 3.736 -10.347 9.456 1.00 0.00 C ATOM 0 H ALA A 90 5.327 -12.121 9.408 1.00 0.00 H new ATOM 0 HA ALA A 90 2.612 -11.976 10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.892 -9.658 9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.375 -10.159 10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.309 -10.197 8.541 1.00 0.00 H new ATOM 1395 N CYS A 91 2.931 -12.406 7.174 1.00 0.00 N ATOM 1396 CA CYS A 91 2.119 -12.690 5.955 1.00 0.00 C ATOM 1397 C CYS A 91 2.135 -14.183 5.628 1.00 0.00 C ATOM 1398 O CYS A 91 3.151 -14.734 5.252 1.00 0.00 O ATOM 1399 CB CYS A 91 2.799 -11.902 4.842 1.00 0.00 C ATOM 1400 SG CYS A 91 1.816 -10.434 4.454 1.00 0.00 S ATOM 0 H CYS A 91 3.940 -12.490 7.053 1.00 0.00 H new ATOM 0 HA CYS A 91 1.074 -12.409 6.088 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.803 -11.609 5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.907 -12.525 3.954 1.00 0.00 H new ATOM 1405 N THR A 92 1.022 -14.842 5.769 1.00 0.00 N ATOM 1406 CA THR A 92 0.980 -16.302 5.468 1.00 0.00 C ATOM 1407 C THR A 92 0.342 -16.546 4.099 1.00 0.00 C ATOM 1408 O THR A 92 -0.133 -15.634 3.453 1.00 0.00 O ATOM 1409 CB THR A 92 0.128 -16.901 6.584 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.233 -16.554 6.378 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.605 -16.346 7.926 1.00 0.00 C ATOM 0 H THR A 92 0.139 -14.436 6.079 1.00 0.00 H new ATOM 0 HA THR A 92 1.973 -16.750 5.428 1.00 0.00 H new ATOM 0 HB THR A 92 0.224 -17.987 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.809 -17.232 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.002 -16.769 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.651 -16.612 8.079 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.503 -15.261 7.928 1.00 0.00 H new ATOM 1419 N GLY A 93 0.335 -17.771 3.649 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.263 -18.074 2.319 1.00 0.00 C ATOM 1421 C GLY A 93 0.837 -18.033 1.257 1.00 0.00 C ATOM 1422 O GLY A 93 0.662 -18.497 0.148 1.00 0.00 O ATOM 0 H GLY A 93 0.718 -18.575 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.736 -19.056 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.042 -17.349 2.082 1.00 0.00 H new ATOM 1426 N CYS A 94 1.969 -17.478 1.591 1.00 0.00 N ATOM 1427 CA CYS A 94 3.086 -17.402 0.607 1.00 0.00 C ATOM 1428 C CYS A 94 3.335 -18.778 -0.019 1.00 0.00 C ATOM 1429 O CYS A 94 3.745 -19.671 0.705 1.00 0.00 O ATOM 1430 CB CYS A 94 4.299 -16.957 1.424 1.00 0.00 C ATOM 1431 SG CYS A 94 4.674 -15.225 1.053 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.113 -18.914 -1.210 1.00 0.00 O ATOM 0 H CYS A 94 2.169 -17.073 2.505 1.00 0.00 H new ATOM 0 HA CYS A 94 2.871 -16.716 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.098 -17.077 2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.159 -17.585 1.190 1.00 0.00 H new