USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 713 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= -6.09! C(o=-6.1!,f=-8.4!) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 2 THR OG1 : rot -59:sc= -0.465 USER MOD Set 2.2: A 9 SER OG : rot 170:sc= -6.61! USER MOD Single : A 1 VAL N :NH3+ -153:sc= -1.15 (180deg=-2.47!) USER MOD Single : A 7 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0803 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -5.23! (180deg=-6.98!) USER MOD Single : A 17 LYS NZ :NH3+ -125:sc= -0.962 (180deg=-2.09!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.8!) USER MOD Single : A 49 SER OG : rot 160:sc= -2.13! USER MOD Single : A 50 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.2!) USER MOD Single : A 52 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4!) 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=-0.00164 K(o=-0.0016,f=-1.3!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.758 -11.983 -0.340 1.00 0.00 N ATOM 2 CA VAL A 1 -0.920 -12.057 0.893 1.00 0.00 C ATOM 3 C VAL A 1 -1.615 -11.332 2.049 1.00 0.00 C ATOM 4 O VAL A 1 -1.968 -10.174 1.942 1.00 0.00 O ATOM 5 CB VAL A 1 0.387 -11.353 0.524 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.857 -11.835 -0.851 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.157 -9.840 0.480 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.553 -12.801 -0.948 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.764 -11.990 -0.077 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.541 -11.106 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.752 -13.083 1.219 1.00 0.00 H new ATOM 0 HB VAL A 1 1.147 -11.585 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.788 -11.333 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.021 -12.912 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.097 -11.603 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.088 -9.338 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.603 -9.609 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.178 -9.494 1.458 1.00 0.00 H new ATOM 19 N THR A 2 -1.815 -12.000 3.152 1.00 0.00 N ATOM 20 CA THR A 2 -2.489 -11.341 4.308 1.00 0.00 C ATOM 21 C THR A 2 -1.673 -11.526 5.589 1.00 0.00 C ATOM 22 O THR A 2 -0.817 -12.385 5.678 1.00 0.00 O ATOM 23 CB THR A 2 -3.840 -12.045 4.446 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.672 -11.297 5.323 1.00 0.00 O ATOM 25 CG2 THR A 2 -3.628 -13.450 5.013 1.00 0.00 C ATOM 0 H THR A 2 -1.542 -12.971 3.303 1.00 0.00 H new ATOM 0 HA THR A 2 -2.596 -10.268 4.148 1.00 0.00 H new ATOM 0 HB THR A 2 -4.316 -12.119 3.468 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.236 -11.214 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.591 -13.952 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.988 -14.021 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.154 -13.380 5.992 1.00 0.00 H new ATOM 33 N VAL A 3 -1.956 -10.735 6.585 1.00 0.00 N ATOM 34 CA VAL A 3 -1.224 -10.866 7.876 1.00 0.00 C ATOM 35 C VAL A 3 -1.888 -11.953 8.721 1.00 0.00 C ATOM 36 O VAL A 3 -3.037 -11.839 9.098 1.00 0.00 O ATOM 37 CB VAL A 3 -1.351 -9.502 8.552 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.576 -9.513 9.871 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.779 -8.420 7.633 1.00 0.00 C ATOM 0 H VAL A 3 -2.664 -10.001 6.561 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.179 -11.145 7.743 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.402 -9.291 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.666 -8.540 10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.984 -10.283 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.475 -9.724 9.674 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.870 -7.447 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.272 -8.630 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.331 -8.412 6.693 1.00 0.00 H new ATOM 49 N GLN A 4 -1.189 -13.016 9.007 1.00 0.00 N ATOM 50 CA GLN A 4 -1.806 -14.107 9.812 1.00 0.00 C ATOM 51 C GLN A 4 -1.209 -14.153 11.219 1.00 0.00 C ATOM 52 O GLN A 4 -0.061 -14.504 11.409 1.00 0.00 O ATOM 53 CB GLN A 4 -1.482 -15.392 9.052 1.00 0.00 C ATOM 54 CG GLN A 4 -2.045 -16.592 9.817 1.00 0.00 C ATOM 55 CD GLN A 4 -1.685 -17.883 9.078 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.846 -17.976 7.879 1.00 0.00 O ATOM 57 NE2 GLN A 4 -1.198 -18.890 9.752 1.00 0.00 N ATOM 0 H GLN A 4 -0.223 -13.176 8.720 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.879 -13.960 9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.910 -15.352 8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.403 -15.496 8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.640 -16.614 10.829 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.127 -16.503 9.909 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.063 -18.811 10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.953 -19.755 9.270 1.00 0.00 H new ATOM 66 N ASP A 5 -1.989 -13.819 12.208 1.00 0.00 N ATOM 67 CA ASP A 5 -1.481 -13.863 13.608 1.00 0.00 C ATOM 68 C ASP A 5 -1.843 -15.212 14.234 1.00 0.00 C ATOM 69 O ASP A 5 -1.605 -15.455 15.400 1.00 0.00 O ATOM 70 CB ASP A 5 -2.197 -12.722 14.329 1.00 0.00 C ATOM 71 CG ASP A 5 -1.733 -11.384 13.749 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.741 -11.381 13.039 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.376 -10.385 14.025 1.00 0.00 O ATOM 0 H ASP A 5 -2.958 -13.517 12.108 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.398 -13.754 13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.276 -12.826 14.215 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.984 -12.761 15.397 1.00 0.00 H new ATOM 78 N GLY A 6 -2.420 -16.089 13.457 1.00 0.00 N ATOM 79 CA GLY A 6 -2.806 -17.426 13.986 1.00 0.00 C ATOM 80 C GLY A 6 -3.215 -18.327 12.818 1.00 0.00 C ATOM 81 O GLY A 6 -2.701 -18.211 11.723 1.00 0.00 O ATOM 0 H GLY A 6 -2.641 -15.934 12.473 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.972 -17.870 14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.631 -17.327 14.692 1.00 0.00 H new ATOM 85 N ASN A 7 -4.133 -19.226 13.042 1.00 0.00 N ATOM 86 CA ASN A 7 -4.569 -20.137 11.943 1.00 0.00 C ATOM 87 C ASN A 7 -5.571 -19.429 11.024 1.00 0.00 C ATOM 88 O ASN A 7 -6.176 -20.041 10.165 1.00 0.00 O ATOM 89 CB ASN A 7 -5.235 -21.317 12.649 1.00 0.00 C ATOM 90 CG ASN A 7 -4.204 -22.041 13.518 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.014 -21.859 13.349 1.00 0.00 O ATOM 92 ND2 ASN A 7 -4.612 -22.861 14.448 1.00 0.00 N ATOM 0 H ASN A 7 -4.601 -19.370 13.937 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.734 -20.451 11.316 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.063 -20.966 13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.654 -22.005 11.914 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.933 -23.348 15.032 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.610 -23.014 14.591 1.00 0.00 H new ATOM 99 N PHE A 8 -5.758 -18.148 11.196 1.00 0.00 N ATOM 100 CA PHE A 8 -6.726 -17.414 10.330 1.00 0.00 C ATOM 101 C PHE A 8 -6.014 -16.301 9.552 1.00 0.00 C ATOM 102 O PHE A 8 -5.064 -15.708 10.025 1.00 0.00 O ATOM 103 CB PHE A 8 -7.750 -16.819 11.298 1.00 0.00 C ATOM 104 CG PHE A 8 -8.449 -17.933 12.041 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.598 -18.521 11.500 1.00 0.00 C ATOM 106 CD2 PHE A 8 -7.948 -18.377 13.271 1.00 0.00 C ATOM 107 CE1 PHE A 8 -10.246 -19.553 12.189 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.597 -19.410 13.959 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.745 -19.998 13.417 1.00 0.00 C ATOM 0 H PHE A 8 -5.284 -17.579 11.897 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.191 -18.066 9.591 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.254 -16.152 12.004 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.478 -16.220 10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.985 -18.179 10.551 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.062 -17.923 13.689 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.133 -20.006 11.772 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.211 -19.753 14.908 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.245 -20.796 13.947 1.00 0.00 H new ATOM 119 N SER A 9 -6.472 -16.010 8.363 1.00 0.00 N ATOM 120 CA SER A 9 -5.830 -14.933 7.555 1.00 0.00 C ATOM 121 C SER A 9 -6.484 -13.585 7.873 1.00 0.00 C ATOM 122 O SER A 9 -7.675 -13.411 7.713 1.00 0.00 O ATOM 123 CB SER A 9 -6.088 -15.323 6.101 1.00 0.00 C ATOM 124 OG SER A 9 -6.066 -14.160 5.286 1.00 0.00 O ATOM 0 H SER A 9 -7.264 -16.472 7.916 1.00 0.00 H new ATOM 0 HA SER A 9 -4.765 -14.832 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.331 -16.030 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.053 -15.823 6.013 1.00 0.00 H new ATOM 0 HG SER A 9 -6.070 -14.422 4.342 1.00 0.00 H new ATOM 130 N PHE A 10 -5.718 -12.634 8.336 1.00 0.00 N ATOM 131 CA PHE A 10 -6.309 -11.307 8.678 1.00 0.00 C ATOM 132 C PHE A 10 -5.885 -10.243 7.662 1.00 0.00 C ATOM 133 O PHE A 10 -4.719 -9.930 7.529 1.00 0.00 O ATOM 134 CB PHE A 10 -5.742 -10.958 10.056 1.00 0.00 C ATOM 135 CG PHE A 10 -6.200 -11.969 11.082 1.00 0.00 C ATOM 136 CD1 PHE A 10 -5.488 -13.160 11.258 1.00 0.00 C ATOM 137 CD2 PHE A 10 -7.329 -11.706 11.866 1.00 0.00 C ATOM 138 CE1 PHE A 10 -5.905 -14.090 12.220 1.00 0.00 C ATOM 139 CE2 PHE A 10 -7.747 -12.635 12.824 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.036 -13.827 13.002 1.00 0.00 C ATOM 0 H PHE A 10 -4.713 -12.717 8.492 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.398 -11.342 8.670 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.653 -10.939 10.015 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.067 -9.960 10.349 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.617 -13.363 10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.878 -10.785 11.731 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.354 -15.009 12.358 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.620 -12.432 13.427 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.360 -14.544 13.742 1.00 0.00 H new ATOM 150 N SER A 11 -6.823 -9.670 6.957 1.00 0.00 N ATOM 151 CA SER A 11 -6.466 -8.612 5.968 1.00 0.00 C ATOM 152 C SER A 11 -6.050 -7.338 6.709 1.00 0.00 C ATOM 153 O SER A 11 -6.210 -7.228 7.909 1.00 0.00 O ATOM 154 CB SER A 11 -7.742 -8.371 5.162 1.00 0.00 C ATOM 155 OG SER A 11 -8.687 -7.681 5.968 1.00 0.00 O ATOM 0 H SER A 11 -7.817 -9.887 7.022 1.00 0.00 H new ATOM 0 HA SER A 11 -5.634 -8.902 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.516 -7.789 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.158 -9.321 4.827 1.00 0.00 H new ATOM 0 HG SER A 11 -9.505 -7.524 5.452 1.00 0.00 H new ATOM 161 N LEU A 12 -5.508 -6.377 6.013 1.00 0.00 N ATOM 162 CA LEU A 12 -5.078 -5.119 6.692 1.00 0.00 C ATOM 163 C LEU A 12 -6.065 -3.981 6.404 1.00 0.00 C ATOM 164 O LEU A 12 -5.900 -2.873 6.876 1.00 0.00 O ATOM 165 CB LEU A 12 -3.705 -4.804 6.096 1.00 0.00 C ATOM 166 CG LEU A 12 -2.733 -5.942 6.418 1.00 0.00 C ATOM 167 CD1 LEU A 12 -3.013 -7.129 5.493 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.296 -5.462 6.206 1.00 0.00 C ATOM 0 H LEU A 12 -5.344 -6.407 5.007 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.042 -5.230 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.786 -4.676 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.328 -3.865 6.501 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.865 -6.249 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.321 -7.940 5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.037 -7.473 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.881 -6.821 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.604 -6.272 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.164 -5.155 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.094 -4.616 6.863 1.00 0.00 H new ATOM 180 N GLU A 13 -7.084 -4.240 5.631 1.00 0.00 N ATOM 181 CA GLU A 13 -8.072 -3.165 5.313 1.00 0.00 C ATOM 182 C GLU A 13 -8.855 -2.760 6.567 1.00 0.00 C ATOM 183 O GLU A 13 -8.694 -1.675 7.089 1.00 0.00 O ATOM 184 CB GLU A 13 -9.020 -3.782 4.281 1.00 0.00 C ATOM 185 CG GLU A 13 -8.245 -4.144 3.014 1.00 0.00 C ATOM 186 CD GLU A 13 -9.218 -4.685 1.964 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.365 -4.911 2.310 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.798 -4.864 0.833 1.00 0.00 O ATOM 0 H GLU A 13 -7.277 -5.147 5.206 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.581 -2.266 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.493 -4.672 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.818 -3.079 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.726 -3.267 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.484 -4.891 3.240 1.00 0.00 H new ATOM 195 N SER A 14 -9.708 -3.624 7.046 1.00 0.00 N ATOM 196 CA SER A 14 -10.518 -3.298 8.258 1.00 0.00 C ATOM 197 C SER A 14 -9.666 -2.603 9.321 1.00 0.00 C ATOM 198 O SER A 14 -10.028 -1.562 9.836 1.00 0.00 O ATOM 199 CB SER A 14 -11.005 -4.645 8.782 1.00 0.00 C ATOM 200 OG SER A 14 -11.491 -5.427 7.700 1.00 0.00 O ATOM 0 H SER A 14 -9.881 -4.547 6.649 1.00 0.00 H new ATOM 0 HA SER A 14 -11.337 -2.619 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.191 -5.167 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.793 -4.497 9.520 1.00 0.00 H new ATOM 0 HG SER A 14 -11.802 -6.293 8.036 1.00 0.00 H new ATOM 206 N VAL A 15 -8.541 -3.166 9.660 1.00 0.00 N ATOM 207 CA VAL A 15 -7.681 -2.528 10.693 1.00 0.00 C ATOM 208 C VAL A 15 -7.317 -1.110 10.255 1.00 0.00 C ATOM 209 O VAL A 15 -7.447 -0.167 11.010 1.00 0.00 O ATOM 210 CB VAL A 15 -6.450 -3.421 10.791 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.881 -4.782 11.344 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.824 -3.597 9.403 1.00 0.00 C ATOM 0 H VAL A 15 -8.181 -4.036 9.268 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.175 -2.436 11.660 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.711 -2.968 11.452 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.012 -5.435 11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.324 -4.650 12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.614 -5.231 10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.944 -4.236 9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.550 -4.057 8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.532 -2.623 9.009 1.00 0.00 H new ATOM 222 N LYS A 16 -6.881 -0.943 9.038 1.00 0.00 N ATOM 223 CA LYS A 16 -6.541 0.426 8.564 1.00 0.00 C ATOM 224 C LYS A 16 -7.753 1.335 8.772 1.00 0.00 C ATOM 225 O LYS A 16 -7.674 2.362 9.417 1.00 0.00 O ATOM 226 CB LYS A 16 -6.232 0.265 7.076 1.00 0.00 C ATOM 227 CG LYS A 16 -4.801 -0.245 6.911 1.00 0.00 C ATOM 228 CD LYS A 16 -4.505 -0.461 5.427 1.00 0.00 C ATOM 229 CE LYS A 16 -3.227 -1.290 5.281 1.00 0.00 C ATOM 230 NZ LYS A 16 -3.636 -2.485 4.492 1.00 0.00 N ATOM 0 H LYS A 16 -6.746 -1.689 8.356 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.700 0.869 9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.934 -0.433 6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.352 1.219 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.097 0.472 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.671 -1.179 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.340 -0.972 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.389 0.499 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.446 -0.727 4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.828 -1.576 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.970 -3.263 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.593 -2.777 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.631 -2.250 3.479 1.00 0.00 H new ATOM 244 N LYS A 17 -8.881 0.947 8.245 1.00 0.00 N ATOM 245 CA LYS A 17 -10.116 1.761 8.421 1.00 0.00 C ATOM 246 C LYS A 17 -10.724 1.479 9.799 1.00 0.00 C ATOM 247 O LYS A 17 -11.833 1.876 10.095 1.00 0.00 O ATOM 248 CB LYS A 17 -11.053 1.286 7.309 1.00 0.00 C ATOM 249 CG LYS A 17 -12.373 2.061 7.368 1.00 0.00 C ATOM 250 CD LYS A 17 -13.407 1.363 6.482 1.00 0.00 C ATOM 251 CE LYS A 17 -14.797 1.934 6.774 1.00 0.00 C ATOM 252 NZ LYS A 17 -15.745 0.845 6.402 1.00 0.00 N ATOM 0 H LYS A 17 -9.001 0.095 7.696 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.930 2.834 8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.580 1.431 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.244 0.218 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.733 2.112 8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.222 3.087 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.157 1.506 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.396 0.289 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.900 2.206 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.984 2.836 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.437 1.207 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.217 0.055 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.242 0.512 7.253 1.00 0.00 H new ATOM 266 N LEU A 18 -10.001 0.798 10.648 1.00 0.00 N ATOM 267 CA LEU A 18 -10.524 0.490 12.008 1.00 0.00 C ATOM 268 C LEU A 18 -10.834 1.788 12.758 1.00 0.00 C ATOM 269 O LEU A 18 -11.763 1.859 13.539 1.00 0.00 O ATOM 270 CB LEU A 18 -9.379 -0.276 12.677 1.00 0.00 C ATOM 271 CG LEU A 18 -9.818 -0.806 14.043 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.172 -1.508 13.910 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.773 -1.805 14.556 1.00 0.00 C ATOM 0 H LEU A 18 -9.065 0.441 10.455 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.451 -0.083 11.994 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.067 -1.105 12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.515 0.378 12.794 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.909 0.023 14.744 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.484 -1.885 14.884 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.914 -0.800 13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.084 -2.339 13.210 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.081 -2.186 15.530 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.686 -2.634 13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.808 -1.306 14.650 1.00 0.00 H new ATOM 285 N LYS A 19 -10.072 2.819 12.517 1.00 0.00 N ATOM 286 CA LYS A 19 -10.331 4.116 13.205 1.00 0.00 C ATOM 287 C LYS A 19 -11.661 4.699 12.718 1.00 0.00 C ATOM 288 O LYS A 19 -12.429 5.249 13.482 1.00 0.00 O ATOM 289 CB LYS A 19 -9.165 5.019 12.801 1.00 0.00 C ATOM 290 CG LYS A 19 -9.276 6.357 13.534 1.00 0.00 C ATOM 291 CD LYS A 19 -8.143 7.280 13.084 1.00 0.00 C ATOM 292 CE LYS A 19 -8.223 8.599 13.854 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.887 9.232 13.665 1.00 0.00 N ATOM 0 H LYS A 19 -9.281 2.820 11.873 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.401 4.011 14.288 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.218 4.537 13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.174 5.181 11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.241 6.819 13.325 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.225 6.199 14.611 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.179 6.802 13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.216 7.467 12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.020 9.235 13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.434 8.429 14.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.861 10.144 14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.149 8.607 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.717 9.388 12.651 1.00 0.00 H new ATOM 307 N ASP A 20 -11.939 4.573 11.449 1.00 0.00 N ATOM 308 CA ASP A 20 -13.219 5.105 10.902 1.00 0.00 C ATOM 309 C ASP A 20 -14.051 3.954 10.327 1.00 0.00 C ATOM 310 O ASP A 20 -13.956 3.628 9.161 1.00 0.00 O ATOM 311 CB ASP A 20 -12.805 6.079 9.799 1.00 0.00 C ATOM 312 CG ASP A 20 -14.037 6.838 9.301 1.00 0.00 C ATOM 313 OD1 ASP A 20 -14.462 7.752 9.987 1.00 0.00 O ATOM 314 OD2 ASP A 20 -14.532 6.493 8.240 1.00 0.00 O ATOM 0 H ASP A 20 -11.332 4.122 10.765 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.829 5.595 11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.061 6.780 10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.341 5.537 8.975 1.00 0.00 H new ATOM 319 N LEU A 21 -14.853 3.329 11.144 1.00 0.00 N ATOM 320 CA LEU A 21 -15.680 2.185 10.658 1.00 0.00 C ATOM 321 C LEU A 21 -16.645 2.633 9.555 1.00 0.00 C ATOM 322 O LEU A 21 -16.952 1.884 8.649 1.00 0.00 O ATOM 323 CB LEU A 21 -16.453 1.714 11.891 1.00 0.00 C ATOM 324 CG LEU A 21 -17.162 0.390 11.587 1.00 0.00 C ATOM 325 CD1 LEU A 21 -16.257 -0.500 10.732 1.00 0.00 C ATOM 326 CD2 LEU A 21 -17.477 -0.326 12.901 1.00 0.00 C ATOM 0 H LEU A 21 -14.973 3.561 12.130 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.068 1.394 10.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.771 1.587 12.732 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.183 2.469 12.184 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.085 0.592 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.767 -1.440 10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.027 0.008 9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.332 -0.703 11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.982 -1.269 12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.550 -0.523 13.439 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -18.124 0.303 13.512 1.00 0.00 H new ATOM 338 N GLN A 22 -17.129 3.842 9.623 1.00 0.00 N ATOM 339 CA GLN A 22 -18.079 4.320 8.576 1.00 0.00 C ATOM 340 C GLN A 22 -17.318 4.728 7.309 1.00 0.00 C ATOM 341 O GLN A 22 -16.123 4.944 7.333 1.00 0.00 O ATOM 342 CB GLN A 22 -18.777 5.531 9.194 1.00 0.00 C ATOM 343 CG GLN A 22 -19.575 5.086 10.423 1.00 0.00 C ATOM 344 CD GLN A 22 -20.398 6.263 10.957 1.00 0.00 C ATOM 345 OE1 GLN A 22 -21.170 6.105 11.881 1.00 0.00 O ATOM 346 NE2 GLN A 22 -20.268 7.442 10.411 1.00 0.00 N ATOM 0 H GLN A 22 -16.910 4.518 10.354 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.788 3.546 8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.041 6.283 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -19.441 5.994 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -20.234 4.258 10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.898 4.722 11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -19.620 7.576 9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -20.815 8.229 10.761 1.00 0.00 H new ATOM 355 N GLU A 23 -18.006 4.835 6.205 1.00 0.00 N ATOM 356 CA GLU A 23 -17.328 5.232 4.936 1.00 0.00 C ATOM 357 C GLU A 23 -16.181 4.267 4.615 1.00 0.00 C ATOM 358 O GLU A 23 -15.045 4.518 4.965 1.00 0.00 O ATOM 359 CB GLU A 23 -16.790 6.638 5.199 1.00 0.00 C ATOM 360 CG GLU A 23 -17.952 7.633 5.201 1.00 0.00 C ATOM 361 CD GLU A 23 -17.528 8.914 4.479 1.00 0.00 C ATOM 362 OE1 GLU A 23 -16.873 8.804 3.455 1.00 0.00 O ATOM 363 OE2 GLU A 23 -17.866 9.982 4.961 1.00 0.00 O ATOM 0 H GLU A 23 -19.009 4.665 6.126 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.006 5.206 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.270 6.667 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.064 6.911 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.820 7.195 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.248 7.861 6.225 1.00 0.00 H new ATOM 370 N PRO A 24 -16.521 3.192 3.954 1.00 0.00 N ATOM 371 CA PRO A 24 -15.514 2.174 3.574 1.00 0.00 C ATOM 372 C PRO A 24 -14.484 2.773 2.612 1.00 0.00 C ATOM 373 O PRO A 24 -14.746 2.947 1.439 1.00 0.00 O ATOM 374 CB PRO A 24 -16.365 1.108 2.876 1.00 0.00 C ATOM 375 CG PRO A 24 -17.837 1.565 2.883 1.00 0.00 C ATOM 376 CD PRO A 24 -17.925 2.941 3.556 1.00 0.00 C ATOM 0 HA PRO A 24 -14.942 1.785 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.020 0.961 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.265 0.151 3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.220 1.618 1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.454 0.843 3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.296 3.704 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.595 2.930 4.416 1.00 0.00 H new ATOM 384 N GLN A 25 -13.316 3.093 3.098 1.00 0.00 N ATOM 385 CA GLN A 25 -12.274 3.681 2.208 1.00 0.00 C ATOM 386 C GLN A 25 -11.859 2.668 1.139 1.00 0.00 C ATOM 387 O GLN A 25 -11.581 3.019 0.009 1.00 0.00 O ATOM 388 CB GLN A 25 -11.098 4.001 3.131 1.00 0.00 C ATOM 389 CG GLN A 25 -10.060 4.826 2.367 1.00 0.00 C ATOM 390 CD GLN A 25 -8.914 5.200 3.309 1.00 0.00 C ATOM 391 OE1 GLN A 25 -8.992 4.974 4.501 1.00 0.00 O ATOM 392 NE2 GLN A 25 -7.844 5.768 2.823 1.00 0.00 N ATOM 0 H GLN A 25 -13.038 2.973 4.072 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.631 4.567 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.447 4.553 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.647 3.078 3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.678 4.256 1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.522 5.727 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.777 5.958 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.075 6.022 3.443 1.00 0.00 H new ATOM 401 N GLU A 26 -11.813 1.415 1.490 1.00 0.00 N ATOM 402 CA GLU A 26 -11.416 0.373 0.498 1.00 0.00 C ATOM 403 C GLU A 26 -12.445 -0.762 0.482 1.00 0.00 C ATOM 404 O GLU A 26 -12.180 -1.845 0.963 1.00 0.00 O ATOM 405 CB GLU A 26 -10.059 -0.138 0.982 1.00 0.00 C ATOM 406 CG GLU A 26 -10.153 -0.515 2.461 1.00 0.00 C ATOM 407 CD GLU A 26 -9.731 0.679 3.319 1.00 0.00 C ATOM 408 OE1 GLU A 26 -8.683 1.239 3.044 1.00 0.00 O ATOM 409 OE2 GLU A 26 -10.463 1.013 4.236 1.00 0.00 O ATOM 0 H GLU A 26 -12.033 1.064 2.422 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.364 0.767 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.754 -1.004 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.298 0.629 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.172 -0.812 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.512 -1.372 2.670 1.00 0.00 H new ATOM 416 N PRO A 27 -13.591 -0.472 -0.077 1.00 0.00 N ATOM 417 CA PRO A 27 -14.679 -1.474 -0.163 1.00 0.00 C ATOM 418 C PRO A 27 -14.238 -2.682 -0.995 1.00 0.00 C ATOM 419 O PRO A 27 -14.787 -3.760 -0.881 1.00 0.00 O ATOM 420 CB PRO A 27 -15.795 -0.698 -0.869 1.00 0.00 C ATOM 421 CG PRO A 27 -15.296 0.730 -1.161 1.00 0.00 C ATOM 422 CD PRO A 27 -13.856 0.868 -0.648 1.00 0.00 C ATOM 0 HA PRO A 27 -14.979 -1.877 0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -16.074 -1.198 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -16.687 -0.666 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.336 0.932 -2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.941 1.462 -0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.161 1.112 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.766 1.654 0.102 1.00 0.00 H new ATOM 430 N ARG A 28 -13.250 -2.510 -1.831 1.00 0.00 N ATOM 431 CA ARG A 28 -12.776 -3.650 -2.668 1.00 0.00 C ATOM 432 C ARG A 28 -11.301 -3.945 -2.378 1.00 0.00 C ATOM 433 O ARG A 28 -10.690 -3.327 -1.529 1.00 0.00 O ATOM 434 CB ARG A 28 -12.957 -3.182 -4.113 1.00 0.00 C ATOM 435 CG ARG A 28 -14.443 -2.949 -4.391 1.00 0.00 C ATOM 436 CD ARG A 28 -14.644 -2.643 -5.877 1.00 0.00 C ATOM 437 NE ARG A 28 -14.342 -3.926 -6.573 1.00 0.00 N ATOM 438 CZ ARG A 28 -14.059 -3.924 -7.847 1.00 0.00 C ATOM 439 NH1 ARG A 28 -12.816 -3.847 -8.238 1.00 0.00 N ATOM 440 NH2 ARG A 28 -15.018 -3.999 -8.730 1.00 0.00 N ATOM 0 H ARG A 28 -12.751 -1.631 -1.971 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.327 -4.568 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.396 -2.263 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.560 -3.929 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.019 -3.831 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.811 -2.121 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.663 -2.314 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.979 -1.846 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.357 -4.804 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.067 -3.788 -7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.594 -3.845 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.989 -4.059 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.796 -3.997 -9.726 1.00 0.00 H new ATOM 454 N VAL A 29 -10.725 -4.887 -3.077 1.00 0.00 N ATOM 455 CA VAL A 29 -9.290 -5.222 -2.842 1.00 0.00 C ATOM 456 C VAL A 29 -8.455 -4.872 -4.077 1.00 0.00 C ATOM 457 O VAL A 29 -8.938 -4.902 -5.192 1.00 0.00 O ATOM 458 CB VAL A 29 -9.274 -6.731 -2.596 1.00 0.00 C ATOM 459 CG1 VAL A 29 -9.670 -7.460 -3.882 1.00 0.00 C ATOM 460 CG2 VAL A 29 -7.867 -7.162 -2.177 1.00 0.00 C ATOM 0 H VAL A 29 -11.186 -5.439 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.867 -4.666 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.981 -6.980 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.659 -8.536 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.671 -7.151 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.962 -7.213 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.853 -8.238 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.160 -6.915 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.584 -6.641 -1.262 1.00 0.00 H new ATOM 470 N GLY A 30 -7.207 -4.542 -3.888 1.00 0.00 N ATOM 471 CA GLY A 30 -6.344 -4.192 -5.051 1.00 0.00 C ATOM 472 C GLY A 30 -6.074 -2.686 -5.052 1.00 0.00 C ATOM 473 O GLY A 30 -5.255 -2.194 -5.804 1.00 0.00 O ATOM 0 H GLY A 30 -6.748 -4.500 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.404 -4.741 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.832 -4.485 -5.981 1.00 0.00 H new ATOM 477 N LYS A 31 -6.754 -1.950 -4.218 1.00 0.00 N ATOM 478 CA LYS A 31 -6.533 -0.476 -4.173 1.00 0.00 C ATOM 479 C LYS A 31 -5.385 -0.140 -3.216 1.00 0.00 C ATOM 480 O LYS A 31 -4.878 -0.993 -2.513 1.00 0.00 O ATOM 481 CB LYS A 31 -7.850 0.105 -3.657 1.00 0.00 C ATOM 482 CG LYS A 31 -8.964 -0.169 -4.672 1.00 0.00 C ATOM 483 CD LYS A 31 -10.259 0.490 -4.194 1.00 0.00 C ATOM 484 CE LYS A 31 -11.392 0.153 -5.166 1.00 0.00 C ATOM 485 NZ LYS A 31 -11.408 1.280 -6.141 1.00 0.00 N ATOM 0 H LYS A 31 -7.453 -2.304 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.261 -0.069 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.103 -0.340 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.747 1.178 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.684 0.221 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.110 -1.243 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.509 0.141 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.128 1.570 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.214 -0.799 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.346 0.067 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.160 1.122 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.586 2.172 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.489 1.333 -6.625 1.00 0.00 H new ATOM 499 N LEU A 32 -4.971 1.097 -3.182 1.00 0.00 N ATOM 500 CA LEU A 32 -3.857 1.487 -2.270 1.00 0.00 C ATOM 501 C LEU A 32 -4.269 1.274 -0.812 1.00 0.00 C ATOM 502 O LEU A 32 -5.209 1.871 -0.327 1.00 0.00 O ATOM 503 CB LEU A 32 -3.618 2.971 -2.546 1.00 0.00 C ATOM 504 CG LEU A 32 -2.198 3.346 -2.115 1.00 0.00 C ATOM 505 CD1 LEU A 32 -1.927 2.800 -0.711 1.00 0.00 C ATOM 506 CD2 LEU A 32 -1.193 2.745 -3.100 1.00 0.00 C ATOM 0 H LEU A 32 -5.356 1.855 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.960 0.892 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.756 3.182 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.346 3.575 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.096 4.431 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.916 3.068 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.643 3.228 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.029 1.715 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.181 3.011 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.296 1.660 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.385 3.135 -4.099 1.00 0.00 H new ATOM 518 N ARG A 33 -3.570 0.427 -0.108 1.00 0.00 N ATOM 519 CA ARG A 33 -3.921 0.178 1.319 1.00 0.00 C ATOM 520 C ARG A 33 -2.653 0.135 2.178 1.00 0.00 C ATOM 521 O ARG A 33 -2.293 -0.890 2.719 1.00 0.00 O ATOM 522 CB ARG A 33 -4.621 -1.182 1.323 1.00 0.00 C ATOM 523 CG ARG A 33 -3.648 -2.262 0.842 1.00 0.00 C ATOM 524 CD ARG A 33 -4.422 -3.544 0.531 1.00 0.00 C ATOM 525 NE ARG A 33 -3.371 -4.571 0.287 1.00 0.00 N ATOM 526 CZ ARG A 33 -3.683 -5.697 -0.291 1.00 0.00 C ATOM 527 NH1 ARG A 33 -4.051 -6.721 0.430 1.00 0.00 N ATOM 528 NH2 ARG A 33 -3.626 -5.802 -1.590 1.00 0.00 N ATOM 0 H ARG A 33 -2.772 -0.103 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.555 0.963 1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.974 -1.418 2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.497 -1.153 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.118 -1.920 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.896 -2.455 1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.068 -3.828 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.063 -3.418 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.408 -4.393 0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.094 -6.640 1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.295 -7.602 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.337 -5.003 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.870 -6.683 -2.042 1.00 0.00 H new ATOM 542 N ASN A 34 -1.975 1.243 2.309 1.00 0.00 N ATOM 543 CA ASN A 34 -0.732 1.263 3.134 1.00 0.00 C ATOM 544 C ASN A 34 -0.696 2.525 4.000 1.00 0.00 C ATOM 545 O ASN A 34 0.069 3.437 3.755 1.00 0.00 O ATOM 546 CB ASN A 34 0.418 1.271 2.126 1.00 0.00 C ATOM 547 CG ASN A 34 0.430 -0.051 1.357 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.156 -1.024 1.789 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.078 -0.128 0.227 1.00 0.00 N ATOM 0 H ASN A 34 -2.227 2.134 1.881 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.672 0.410 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.304 2.106 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.367 1.413 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.093 -1.005 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.570 0.689 -0.136 1.00 0.00 H new ATOM 556 N PHE A 35 -1.518 2.586 5.013 1.00 0.00 N ATOM 557 CA PHE A 35 -1.529 3.791 5.892 1.00 0.00 C ATOM 558 C PHE A 35 -2.537 3.611 7.031 1.00 0.00 C ATOM 559 O PHE A 35 -3.656 4.080 6.963 1.00 0.00 O ATOM 560 CB PHE A 35 -1.953 4.942 4.977 1.00 0.00 C ATOM 561 CG PHE A 35 -1.957 6.233 5.759 1.00 0.00 C ATOM 562 CD1 PHE A 35 -0.760 6.925 5.972 1.00 0.00 C ATOM 563 CD2 PHE A 35 -3.159 6.738 6.269 1.00 0.00 C ATOM 564 CE1 PHE A 35 -0.764 8.124 6.695 1.00 0.00 C ATOM 565 CE2 PHE A 35 -3.164 7.937 6.991 1.00 0.00 C ATOM 566 CZ PHE A 35 -1.967 8.630 7.205 1.00 0.00 C ATOM 0 H PHE A 35 -2.181 1.855 5.270 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.559 3.972 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.269 5.019 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.945 4.749 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.167 6.534 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.082 6.202 6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.160 8.659 6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.092 8.327 7.383 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.971 9.555 7.763 1.00 0.00 H new ATOM 576 N ALA A 36 -2.148 2.940 8.080 1.00 0.00 N ATOM 577 CA ALA A 36 -3.084 2.736 9.223 1.00 0.00 C ATOM 578 C ALA A 36 -3.180 4.016 10.057 1.00 0.00 C ATOM 579 O ALA A 36 -2.258 4.808 10.085 1.00 0.00 O ATOM 580 CB ALA A 36 -2.467 1.604 10.045 1.00 0.00 C ATOM 0 H ALA A 36 -1.224 2.524 8.196 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.094 2.493 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.100 1.394 10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.386 0.709 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.475 1.901 10.386 1.00 0.00 H new ATOM 586 N PRO A 37 -4.301 4.181 10.710 1.00 0.00 N ATOM 587 CA PRO A 37 -4.532 5.377 11.554 1.00 0.00 C ATOM 588 C PRO A 37 -3.550 5.418 12.731 1.00 0.00 C ATOM 589 O PRO A 37 -3.946 5.550 13.872 1.00 0.00 O ATOM 590 CB PRO A 37 -5.966 5.165 12.048 1.00 0.00 C ATOM 591 CG PRO A 37 -6.501 3.842 11.465 1.00 0.00 C ATOM 592 CD PRO A 37 -5.393 3.184 10.631 1.00 0.00 C ATOM 0 HA PRO A 37 -4.389 6.317 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.989 5.134 13.137 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.599 5.997 11.739 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.815 3.175 12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.378 4.030 10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.093 2.220 11.042 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.709 3.008 9.603 1.00 0.00 H new ATOM 600 N ILE A 38 -2.276 5.315 12.465 1.00 0.00 N ATOM 601 CA ILE A 38 -1.273 5.358 13.569 1.00 0.00 C ATOM 602 C ILE A 38 -1.608 4.312 14.642 1.00 0.00 C ATOM 603 O ILE A 38 -2.614 4.417 15.315 1.00 0.00 O ATOM 604 CB ILE A 38 -1.383 6.769 14.146 1.00 0.00 C ATOM 605 CG1 ILE A 38 -1.250 7.794 13.017 1.00 0.00 C ATOM 606 CG2 ILE A 38 -0.266 6.990 15.169 1.00 0.00 C ATOM 607 CD1 ILE A 38 -2.075 9.037 13.356 1.00 0.00 C ATOM 0 H ILE A 38 -1.885 5.203 11.529 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.266 5.135 13.217 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.351 6.888 14.633 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.203 8.066 12.880 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.593 7.362 12.077 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.344 7.996 15.581 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.360 6.260 15.973 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.702 6.871 14.682 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.980 9.767 12.552 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.122 8.758 13.471 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.711 9.473 14.286 1.00 0.00 H new ATOM 619 N PRO A 39 -0.746 3.334 14.773 1.00 0.00 N ATOM 620 CA PRO A 39 -0.952 2.264 15.777 1.00 0.00 C ATOM 621 C PRO A 39 -0.981 2.852 17.191 1.00 0.00 C ATOM 622 O PRO A 39 -0.546 3.962 17.422 1.00 0.00 O ATOM 623 CB PRO A 39 0.278 1.374 15.575 1.00 0.00 C ATOM 624 CG PRO A 39 1.147 1.976 14.454 1.00 0.00 C ATOM 625 CD PRO A 39 0.469 3.249 13.930 1.00 0.00 C ATOM 0 HA PRO A 39 -1.894 1.728 15.661 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.850 1.305 16.500 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.028 0.361 15.313 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.143 2.207 14.832 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.272 1.255 13.646 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.106 4.126 14.047 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.224 3.172 12.871 1.00 0.00 H new ATOM 633 N GLY A 40 -1.492 2.115 18.139 1.00 0.00 N ATOM 634 CA GLY A 40 -1.548 2.633 19.535 1.00 0.00 C ATOM 635 C GLY A 40 -2.982 3.048 19.868 1.00 0.00 C ATOM 636 O GLY A 40 -3.220 3.824 20.771 1.00 0.00 O ATOM 0 H GLY A 40 -1.873 1.178 18.007 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.209 1.867 20.232 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.877 3.485 19.645 1.00 0.00 H new ATOM 640 N GLU A 41 -3.941 2.537 19.144 1.00 0.00 N ATOM 641 CA GLU A 41 -5.359 2.903 19.419 1.00 0.00 C ATOM 642 C GLU A 41 -6.180 1.645 19.718 1.00 0.00 C ATOM 643 O GLU A 41 -6.960 1.206 18.896 1.00 0.00 O ATOM 644 CB GLU A 41 -5.850 3.573 18.135 1.00 0.00 C ATOM 645 CG GLU A 41 -5.514 5.064 18.178 1.00 0.00 C ATOM 646 CD GLU A 41 -6.115 5.757 16.953 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.193 5.361 16.542 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.488 6.674 16.448 1.00 0.00 O ATOM 0 H GLU A 41 -3.803 1.882 18.374 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.458 3.559 20.284 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.381 3.108 17.267 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.926 3.435 18.028 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.907 5.510 19.091 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.433 5.204 18.195 1.00 0.00 H new ATOM 655 N PRO A 42 -5.975 1.105 20.891 1.00 0.00 N ATOM 656 CA PRO A 42 -6.700 -0.115 21.312 1.00 0.00 C ATOM 657 C PRO A 42 -8.210 0.140 21.344 1.00 0.00 C ATOM 658 O PRO A 42 -8.660 1.211 21.699 1.00 0.00 O ATOM 659 CB PRO A 42 -6.152 -0.363 22.720 1.00 0.00 C ATOM 660 CG PRO A 42 -5.125 0.736 23.053 1.00 0.00 C ATOM 661 CD PRO A 42 -5.010 1.686 21.853 1.00 0.00 C ATOM 0 HA PRO A 42 -6.559 -0.962 20.641 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.963 -0.355 23.448 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.684 -1.346 22.775 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.436 1.286 23.941 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.155 0.291 23.276 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.270 2.710 22.120 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.998 1.709 21.449 1.00 0.00 H new ATOM 669 N VAL A 43 -8.994 -0.835 20.977 1.00 0.00 N ATOM 670 CA VAL A 43 -10.473 -0.647 20.988 1.00 0.00 C ATOM 671 C VAL A 43 -11.163 -1.914 21.495 1.00 0.00 C ATOM 672 O VAL A 43 -12.026 -2.467 20.843 1.00 0.00 O ATOM 673 CB VAL A 43 -10.850 -0.377 19.532 1.00 0.00 C ATOM 674 CG1 VAL A 43 -10.427 1.042 19.149 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.138 -1.383 18.626 1.00 0.00 C ATOM 0 H VAL A 43 -8.675 -1.754 20.670 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.780 0.166 21.645 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.929 -0.479 19.412 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.696 1.234 18.110 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.934 1.759 19.794 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.349 1.145 19.269 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.407 -1.191 17.587 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.059 -1.282 18.747 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.440 -2.395 18.898 1.00 0.00 H new ATOM 685 N VAL A 44 -10.791 -2.377 22.657 1.00 0.00 N ATOM 686 CA VAL A 44 -11.428 -3.608 23.207 1.00 0.00 C ATOM 687 C VAL A 44 -11.755 -3.418 24.693 1.00 0.00 C ATOM 688 O VAL A 44 -11.355 -4.212 25.522 1.00 0.00 O ATOM 689 CB VAL A 44 -10.386 -4.712 23.020 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.831 -5.966 23.775 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.250 -5.038 21.532 1.00 0.00 C ATOM 0 H VAL A 44 -10.074 -1.957 23.249 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.366 -3.847 22.706 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.425 -4.374 23.409 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.089 -6.753 23.642 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.930 -5.736 24.836 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.792 -6.303 23.386 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.507 -5.825 21.398 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.211 -5.376 21.144 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.934 -4.146 20.991 1.00 0.00 H new ATOM 701 N PRO A 45 -12.480 -2.369 24.984 1.00 0.00 N ATOM 702 CA PRO A 45 -12.871 -2.073 26.382 1.00 0.00 C ATOM 703 C PRO A 45 -13.707 -3.221 26.956 1.00 0.00 C ATOM 704 O PRO A 45 -13.624 -3.539 28.127 1.00 0.00 O ATOM 705 CB PRO A 45 -13.712 -0.801 26.234 1.00 0.00 C ATOM 706 CG PRO A 45 -13.771 -0.417 24.742 1.00 0.00 C ATOM 707 CD PRO A 45 -12.945 -1.429 23.937 1.00 0.00 C ATOM 0 HA PRO A 45 -12.026 -1.952 27.059 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.717 -0.966 26.622 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.275 0.011 26.816 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.804 -0.412 24.394 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.380 0.590 24.596 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.546 -1.931 23.179 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.112 -0.953 23.420 1.00 0.00 H new ATOM 715 N ILE A 46 -14.513 -3.843 26.140 1.00 0.00 N ATOM 716 CA ILE A 46 -15.357 -4.971 26.631 1.00 0.00 C ATOM 717 C ILE A 46 -15.512 -6.031 25.537 1.00 0.00 C ATOM 718 O ILE A 46 -15.541 -7.216 25.806 1.00 0.00 O ATOM 719 CB ILE A 46 -16.710 -4.340 26.959 1.00 0.00 C ATOM 720 CG1 ILE A 46 -16.530 -3.268 28.036 1.00 0.00 C ATOM 721 CG2 ILE A 46 -17.665 -5.421 27.470 1.00 0.00 C ATOM 722 CD1 ILE A 46 -17.867 -2.567 28.285 1.00 0.00 C ATOM 0 H ILE A 46 -14.624 -3.619 25.151 1.00 0.00 H new ATOM 0 HA ILE A 46 -14.918 -5.468 27.496 1.00 0.00 H new ATOM 0 HB ILE A 46 -17.124 -3.883 26.060 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -16.167 -3.721 28.959 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.780 -2.543 27.721 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.630 -4.972 27.704 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -17.796 -6.183 26.702 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -17.250 -5.878 28.368 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.740 -1.803 29.052 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -18.211 -2.101 27.362 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.604 -3.297 28.619 1.00 0.00 H new ATOM 734 N LEU A 47 -15.616 -5.614 24.304 1.00 0.00 N ATOM 735 CA LEU A 47 -15.771 -6.597 23.192 1.00 0.00 C ATOM 736 C LEU A 47 -15.806 -5.868 21.846 1.00 0.00 C ATOM 737 O LEU A 47 -16.815 -5.311 21.462 1.00 0.00 O ATOM 738 CB LEU A 47 -17.108 -7.289 23.460 1.00 0.00 C ATOM 739 CG LEU A 47 -17.334 -8.384 22.416 1.00 0.00 C ATOM 740 CD1 LEU A 47 -16.450 -9.589 22.740 1.00 0.00 C ATOM 741 CD2 LEU A 47 -18.804 -8.809 22.434 1.00 0.00 C ATOM 0 H LEU A 47 -15.600 -4.635 24.018 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.945 -7.307 23.149 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.112 -7.720 24.461 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.920 -6.562 23.422 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.078 -8.002 21.428 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -16.611 -10.369 21.996 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.403 -9.286 22.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.705 -9.972 23.728 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -18.966 -9.589 21.690 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -19.060 -9.191 23.422 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.434 -7.950 22.202 1.00 0.00 H new ATOM 753 N CYS A 48 -14.714 -5.874 21.127 1.00 0.00 N ATOM 754 CA CYS A 48 -14.677 -5.186 19.800 1.00 0.00 C ATOM 755 C CYS A 48 -15.565 -3.938 19.814 1.00 0.00 C ATOM 756 O CYS A 48 -16.760 -4.011 19.607 1.00 0.00 O ATOM 757 CB CYS A 48 -15.210 -6.218 18.807 1.00 0.00 C ATOM 758 SG CYS A 48 -13.990 -7.540 18.603 1.00 0.00 S ATOM 0 H CYS A 48 -13.842 -6.327 21.402 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.674 -4.848 19.540 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.153 -6.630 19.165 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.413 -5.744 17.847 1.00 0.00 H new ATOM 763 N SER A 49 -14.989 -2.794 20.063 1.00 0.00 N ATOM 764 CA SER A 49 -15.799 -1.542 20.099 1.00 0.00 C ATOM 765 C SER A 49 -16.469 -1.284 18.749 1.00 0.00 C ATOM 766 O SER A 49 -17.603 -0.852 18.685 1.00 0.00 O ATOM 767 CB SER A 49 -14.799 -0.433 20.418 1.00 0.00 C ATOM 768 OG SER A 49 -13.985 -0.192 19.281 1.00 0.00 O ATOM 0 H SER A 49 -13.993 -2.671 20.243 1.00 0.00 H new ATOM 0 HA SER A 49 -16.600 -1.601 20.835 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.327 0.478 20.701 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.180 -0.720 21.268 1.00 0.00 H new ATOM 0 HG SER A 49 -13.578 0.697 19.353 1.00 0.00 H new ATOM 774 N ASN A 50 -15.785 -1.542 17.671 1.00 0.00 N ATOM 775 CA ASN A 50 -16.393 -1.308 16.329 1.00 0.00 C ATOM 776 C ASN A 50 -17.314 -2.474 15.948 1.00 0.00 C ATOM 777 O ASN A 50 -16.854 -3.581 15.744 1.00 0.00 O ATOM 778 CB ASN A 50 -15.206 -1.230 15.369 1.00 0.00 C ATOM 779 CG ASN A 50 -14.718 0.218 15.280 1.00 0.00 C ATOM 780 OD1 ASN A 50 -15.092 1.048 16.085 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.891 0.557 14.331 1.00 0.00 N ATOM 0 H ASN A 50 -14.832 -1.905 17.659 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.002 -0.404 16.305 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.400 -1.876 15.717 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.498 -1.588 14.382 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.558 1.519 14.264 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.577 -0.140 13.655 1.00 0.00 H new ATOM 788 N PRO A 51 -18.588 -2.190 15.859 1.00 0.00 N ATOM 789 CA PRO A 51 -19.581 -3.230 15.496 1.00 0.00 C ATOM 790 C PRO A 51 -19.297 -3.792 14.099 1.00 0.00 C ATOM 791 O PRO A 51 -19.914 -4.747 13.669 1.00 0.00 O ATOM 792 CB PRO A 51 -20.902 -2.456 15.515 1.00 0.00 C ATOM 793 CG PRO A 51 -20.613 -0.991 15.892 1.00 0.00 C ATOM 794 CD PRO A 51 -19.104 -0.823 16.111 1.00 0.00 C ATOM 0 HA PRO A 51 -19.573 -4.090 16.166 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.383 -2.507 14.538 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.590 -2.902 16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.956 -0.324 15.101 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -21.158 -0.720 16.796 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.673 -0.094 15.425 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.876 -0.483 17.121 1.00 0.00 H new ATOM 802 N ASN A 52 -18.373 -3.208 13.385 1.00 0.00 N ATOM 803 CA ASN A 52 -18.062 -3.713 12.018 1.00 0.00 C ATOM 804 C ASN A 52 -16.548 -3.748 11.786 1.00 0.00 C ATOM 805 O ASN A 52 -16.080 -3.585 10.675 1.00 0.00 O ATOM 806 CB ASN A 52 -18.730 -2.720 11.067 1.00 0.00 C ATOM 807 CG ASN A 52 -20.248 -2.810 11.223 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.762 -3.790 11.725 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.996 -1.822 10.811 1.00 0.00 N ATOM 0 H ASN A 52 -17.822 -2.405 13.688 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.423 -4.730 11.866 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.391 -1.707 11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.446 -2.938 10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -22.010 -1.874 10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.566 -0.999 10.389 1.00 0.00 H new ATOM 816 N PHE A 53 -15.779 -3.977 12.815 1.00 0.00 N ATOM 817 CA PHE A 53 -14.299 -4.038 12.630 1.00 0.00 C ATOM 818 C PHE A 53 -13.945 -5.348 11.924 1.00 0.00 C ATOM 819 O PHE A 53 -14.827 -6.099 11.560 1.00 0.00 O ATOM 820 CB PHE A 53 -13.708 -4.004 14.047 1.00 0.00 C ATOM 821 CG PHE A 53 -13.664 -5.404 14.622 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.846 -6.140 14.757 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.441 -5.964 15.021 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.809 -7.434 15.289 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.404 -7.262 15.552 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.589 -7.995 15.685 1.00 0.00 C ATOM 0 H PHE A 53 -16.107 -4.124 13.770 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.911 -3.218 12.025 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.704 -3.581 14.021 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.310 -3.358 14.686 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.788 -5.709 14.450 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.528 -5.396 14.919 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.723 -8.000 15.394 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.463 -7.695 15.858 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.562 -8.994 16.094 1.00 0.00 H new ATOM 836 N PRO A 54 -12.674 -5.598 11.763 1.00 0.00 N ATOM 837 CA PRO A 54 -12.239 -6.849 11.112 1.00 0.00 C ATOM 838 C PRO A 54 -12.743 -8.035 11.934 1.00 0.00 C ATOM 839 O PRO A 54 -11.997 -8.682 12.640 1.00 0.00 O ATOM 840 CB PRO A 54 -10.714 -6.733 11.139 1.00 0.00 C ATOM 841 CG PRO A 54 -10.334 -5.391 11.798 1.00 0.00 C ATOM 842 CD PRO A 54 -11.618 -4.665 12.216 1.00 0.00 C ATOM 0 HA PRO A 54 -12.617 -6.999 10.101 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.281 -7.564 11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.313 -6.784 10.127 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.698 -5.564 12.666 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.763 -4.777 11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.658 -4.498 13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.706 -3.689 11.739 1.00 0.00 H new ATOM 850 N GLU A 55 -14.019 -8.295 11.865 1.00 0.00 N ATOM 851 CA GLU A 55 -14.608 -9.410 12.658 1.00 0.00 C ATOM 852 C GLU A 55 -13.663 -10.610 12.670 1.00 0.00 C ATOM 853 O GLU A 55 -13.602 -11.348 13.634 1.00 0.00 O ATOM 854 CB GLU A 55 -15.918 -9.745 11.947 1.00 0.00 C ATOM 855 CG GLU A 55 -16.668 -10.817 12.739 1.00 0.00 C ATOM 856 CD GLU A 55 -17.934 -11.218 11.980 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.140 -10.696 10.897 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.675 -12.039 12.495 1.00 0.00 O ATOM 0 H GLU A 55 -14.684 -7.779 11.289 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.773 -9.140 13.701 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.533 -8.850 11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.715 -10.099 10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.029 -11.688 12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.928 -10.439 13.728 1.00 0.00 H new ATOM 865 N GLU A 56 -12.905 -10.804 11.628 1.00 0.00 N ATOM 866 CA GLU A 56 -11.952 -11.947 11.626 1.00 0.00 C ATOM 867 C GLU A 56 -11.081 -11.862 12.880 1.00 0.00 C ATOM 868 O GLU A 56 -10.595 -12.853 13.386 1.00 0.00 O ATOM 869 CB GLU A 56 -11.106 -11.765 10.366 1.00 0.00 C ATOM 870 CG GLU A 56 -12.002 -11.861 9.131 1.00 0.00 C ATOM 871 CD GLU A 56 -11.148 -11.716 7.871 1.00 0.00 C ATOM 872 OE1 GLU A 56 -9.986 -11.368 8.003 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.671 -11.954 6.794 1.00 0.00 O ATOM 0 H GLU A 56 -12.903 -10.228 10.786 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.449 -12.917 11.629 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.603 -10.798 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.328 -12.528 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.525 -12.817 9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.763 -11.082 9.159 1.00 0.00 H new ATOM 880 N LEU A 57 -10.902 -10.671 13.390 1.00 0.00 N ATOM 881 CA LEU A 57 -10.081 -10.490 14.621 1.00 0.00 C ATOM 882 C LEU A 57 -10.951 -10.737 15.858 1.00 0.00 C ATOM 883 O LEU A 57 -10.535 -10.513 16.979 1.00 0.00 O ATOM 884 CB LEU A 57 -9.611 -9.034 14.583 1.00 0.00 C ATOM 885 CG LEU A 57 -8.658 -8.829 13.402 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.384 -7.334 13.227 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.339 -9.554 13.670 1.00 0.00 C ATOM 0 H LEU A 57 -11.292 -9.812 13.003 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.241 -11.183 14.666 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.468 -8.367 14.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.109 -8.780 15.516 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.114 -9.230 12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.706 -7.184 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.321 -6.812 13.034 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.929 -6.939 14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.664 -9.405 12.827 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.882 -9.155 14.575 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.529 -10.620 13.799 1.00 0.00 H new ATOM 899 N LYS A 58 -12.161 -11.193 15.657 1.00 0.00 N ATOM 900 CA LYS A 58 -13.065 -11.458 16.812 1.00 0.00 C ATOM 901 C LYS A 58 -12.280 -12.078 17.969 1.00 0.00 C ATOM 902 O LYS A 58 -12.348 -11.596 19.083 1.00 0.00 O ATOM 903 CB LYS A 58 -14.110 -12.441 16.282 1.00 0.00 C ATOM 904 CG LYS A 58 -15.443 -11.714 16.088 1.00 0.00 C ATOM 905 CD LYS A 58 -16.024 -11.341 17.455 1.00 0.00 C ATOM 906 CE LYS A 58 -17.519 -11.046 17.312 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.063 -11.160 18.694 1.00 0.00 N ATOM 0 H LYS A 58 -12.561 -11.393 14.740 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.523 -10.546 17.195 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.776 -12.869 15.337 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.233 -13.269 16.980 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.296 -10.817 15.486 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.141 -12.351 15.545 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.869 -12.156 18.162 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.507 -10.469 17.856 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.688 -10.051 16.901 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.999 -11.755 16.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.086 -10.971 18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.893 -12.120 19.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.591 -10.468 19.311 1.00 0.00 H new ATOM 921 N PRO A 59 -11.550 -13.124 17.676 1.00 0.00 N ATOM 922 CA PRO A 59 -10.745 -13.792 18.719 1.00 0.00 C ATOM 923 C PRO A 59 -9.812 -12.778 19.383 1.00 0.00 C ATOM 924 O PRO A 59 -9.689 -12.735 20.590 1.00 0.00 O ATOM 925 CB PRO A 59 -9.973 -14.850 17.926 1.00 0.00 C ATOM 926 CG PRO A 59 -10.384 -14.750 16.443 1.00 0.00 C ATOM 927 CD PRO A 59 -11.484 -13.688 16.306 1.00 0.00 C ATOM 0 HA PRO A 59 -11.329 -14.227 19.530 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.899 -14.694 18.032 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.190 -15.846 18.313 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.523 -14.483 15.830 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.744 -15.715 16.085 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.228 -12.930 15.566 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.435 -14.124 15.999 1.00 0.00 H new ATOM 935 N LEU A 60 -9.158 -11.953 18.609 1.00 0.00 N ATOM 936 CA LEU A 60 -8.248 -10.943 19.210 1.00 0.00 C ATOM 937 C LEU A 60 -8.990 -10.152 20.288 1.00 0.00 C ATOM 938 O LEU A 60 -8.474 -9.908 21.361 1.00 0.00 O ATOM 939 CB LEU A 60 -7.855 -10.028 18.051 1.00 0.00 C ATOM 940 CG LEU A 60 -6.396 -9.603 18.208 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.516 -10.459 17.293 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.250 -8.128 17.827 1.00 0.00 C ATOM 0 H LEU A 60 -9.216 -11.937 17.591 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.377 -11.395 19.684 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.994 -10.546 17.102 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.500 -9.150 18.032 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.085 -9.741 19.244 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.474 -10.157 17.404 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.621 -11.509 17.566 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.826 -10.321 16.257 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.209 -7.825 17.939 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.560 -7.987 16.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.877 -7.520 18.479 1.00 0.00 H new ATOM 954 N CYS A 61 -10.203 -9.753 20.015 1.00 0.00 N ATOM 955 CA CYS A 61 -10.979 -8.978 21.027 1.00 0.00 C ATOM 956 C CYS A 61 -11.304 -9.858 22.238 1.00 0.00 C ATOM 957 O CYS A 61 -11.474 -9.374 23.341 1.00 0.00 O ATOM 958 CB CYS A 61 -12.266 -8.567 20.311 1.00 0.00 C ATOM 959 SG CYS A 61 -11.865 -7.530 18.884 1.00 0.00 S ATOM 0 H CYS A 61 -10.690 -9.930 19.136 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.422 -8.118 21.398 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.812 -9.453 19.987 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.917 -8.024 20.996 1.00 0.00 H new ATOM 964 N LYS A 62 -11.400 -11.144 22.041 1.00 0.00 N ATOM 965 CA LYS A 62 -11.725 -12.053 23.179 1.00 0.00 C ATOM 966 C LYS A 62 -10.465 -12.385 23.985 1.00 0.00 C ATOM 967 O LYS A 62 -10.500 -13.183 24.902 1.00 0.00 O ATOM 968 CB LYS A 62 -12.291 -13.313 22.524 1.00 0.00 C ATOM 969 CG LYS A 62 -13.592 -12.967 21.798 1.00 0.00 C ATOM 970 CD LYS A 62 -14.238 -14.248 21.264 1.00 0.00 C ATOM 971 CE LYS A 62 -15.449 -13.886 20.401 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.672 -15.078 19.537 1.00 0.00 N ATOM 0 H LYS A 62 -11.268 -11.606 21.141 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.428 -11.600 23.877 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.568 -13.727 21.821 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.475 -14.077 23.279 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.276 -12.459 22.478 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.390 -12.280 20.976 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.516 -14.815 20.677 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.546 -14.886 22.093 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.324 -13.674 21.016 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.256 -12.995 19.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.488 -14.908 18.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.825 -15.251 18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.859 -15.909 20.134 1.00 0.00 H new ATOM 986 N GLU A 63 -9.354 -11.785 23.658 1.00 0.00 N ATOM 987 CA GLU A 63 -8.103 -12.077 24.416 1.00 0.00 C ATOM 988 C GLU A 63 -7.456 -10.772 24.894 1.00 0.00 C ATOM 989 O GLU A 63 -7.507 -9.770 24.209 1.00 0.00 O ATOM 990 CB GLU A 63 -7.190 -12.794 23.421 1.00 0.00 C ATOM 991 CG GLU A 63 -7.108 -11.979 22.129 1.00 0.00 C ATOM 992 CD GLU A 63 -6.117 -12.641 21.170 1.00 0.00 C ATOM 993 OE1 GLU A 63 -4.926 -12.459 21.359 1.00 0.00 O ATOM 994 OE2 GLU A 63 -6.566 -13.319 20.261 1.00 0.00 O ATOM 0 H GLU A 63 -9.257 -11.107 22.902 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.292 -12.682 25.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.195 -12.920 23.849 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.575 -13.792 23.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.092 -11.914 21.664 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.792 -10.959 22.349 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.866 -10.829 26.059 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.200 -9.640 26.641 1.00 0.00 C ATOM 1003 C PRO A 64 -5.042 -9.176 25.750 1.00 0.00 C ATOM 1004 O PRO A 64 -4.512 -8.096 25.919 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.685 -10.166 27.983 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.080 -11.650 28.119 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.835 -12.078 26.855 1.00 0.00 C ATOM 0 HA PRO A 64 -6.858 -8.777 26.741 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.602 -10.057 28.041 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.108 -9.586 28.803 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.191 -12.266 28.255 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.706 -11.795 29.000 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.321 -12.882 26.328 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.838 -12.438 27.084 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.647 -9.984 24.804 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.522 -9.586 23.908 1.00 0.00 C ATOM 1017 C ASN A 65 -4.025 -8.636 22.818 1.00 0.00 C ATOM 1018 O ASN A 65 -3.258 -7.933 22.192 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.026 -10.894 23.292 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.475 -11.801 24.394 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.170 -11.344 25.477 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.333 -13.079 24.161 1.00 0.00 N ATOM 0 H ASN A 65 -5.053 -10.900 24.612 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.731 -9.062 24.445 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.841 -11.394 22.769 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.251 -10.689 22.553 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.966 -13.692 24.889 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.589 -13.463 23.251 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.310 -8.609 22.587 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.859 -7.704 21.536 1.00 0.00 C ATOM 1031 C ALA A 66 -5.265 -6.301 21.683 1.00 0.00 C ATOM 1032 O ALA A 66 -4.958 -5.642 20.710 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.366 -7.676 21.788 1.00 0.00 C ATOM 0 H ALA A 66 -6.002 -9.173 23.080 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.619 -8.046 20.529 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.846 -7.029 21.053 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.768 -8.685 21.700 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.560 -7.294 22.790 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.103 -5.839 22.893 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.532 -4.478 23.099 1.00 0.00 C ATOM 1041 C GLN A 67 -3.147 -4.379 22.451 1.00 0.00 C ATOM 1042 O GLN A 67 -2.830 -3.411 21.790 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.429 -4.319 24.615 1.00 0.00 C ATOM 1044 CG GLN A 67 -4.041 -2.878 24.950 1.00 0.00 C ATOM 1045 CD GLN A 67 -3.968 -2.712 26.469 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.339 -3.601 27.208 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -3.501 -1.601 26.970 1.00 0.00 N ATOM 0 H GLN A 67 -5.341 -6.344 23.746 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.147 -3.699 22.648 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.381 -4.569 25.083 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.686 -5.009 25.014 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.079 -2.635 24.500 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.772 -2.186 24.532 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.189 -0.853 26.350 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.448 -1.480 27.981 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.322 -5.375 22.632 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.962 -5.336 22.020 1.00 0.00 C ATOM 1058 C GLU A 68 -1.035 -5.733 20.544 1.00 0.00 C ATOM 1059 O GLU A 68 -0.359 -5.171 19.705 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.142 -6.355 22.813 1.00 0.00 C ATOM 1061 CG GLU A 68 1.314 -6.315 22.345 1.00 0.00 C ATOM 1062 CD GLU A 68 2.108 -7.412 23.057 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.509 -8.143 23.829 1.00 0.00 O ATOM 1064 OE2 GLU A 68 3.301 -7.504 22.817 1.00 0.00 O ATOM 0 H GLU A 68 -2.530 -6.212 23.176 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.519 -4.341 22.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.199 -6.133 23.879 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.552 -7.355 22.674 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.364 -6.457 21.265 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.749 -5.339 22.559 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.850 -6.700 20.221 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.966 -7.134 18.798 1.00 0.00 C ATOM 1073 C ILE A 69 -2.537 -5.999 17.945 1.00 0.00 C ATOM 1074 O ILE A 69 -2.028 -5.688 16.887 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.932 -8.317 18.816 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.359 -9.439 19.682 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.132 -8.826 17.387 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.370 -10.584 19.771 1.00 0.00 C ATOM 0 H ILE A 69 -2.440 -7.208 20.880 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.999 -7.403 18.373 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.889 -7.998 19.230 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.423 -9.799 19.256 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.131 -9.063 20.679 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.821 -9.671 17.395 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.544 -8.027 16.771 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.173 -9.143 16.976 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.961 -11.384 20.389 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.295 -10.219 20.217 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.575 -10.967 18.771 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.594 -5.381 18.396 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.200 -4.270 17.610 1.00 0.00 C ATOM 1092 C LEU A 70 -3.121 -3.272 17.183 1.00 0.00 C ATOM 1093 O LEU A 70 -2.939 -3.007 16.011 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.202 -3.607 18.558 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.858 -2.409 17.864 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -5.008 -1.158 18.093 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.971 -2.680 16.361 1.00 0.00 C ATOM 0 H LEU A 70 -4.064 -5.598 19.275 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.680 -4.626 16.699 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.963 -4.327 18.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.696 -3.280 19.466 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.854 -2.255 18.279 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.475 -0.306 17.599 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.932 -0.961 19.162 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.011 -1.315 17.681 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.438 -1.826 15.871 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.976 -2.838 15.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.579 -3.570 16.196 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.400 -2.719 18.119 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.333 -1.744 17.754 1.00 0.00 C ATOM 1111 C GLN A 71 -0.447 -2.326 16.650 1.00 0.00 C ATOM 1112 O GLN A 71 -0.242 -1.714 15.620 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.530 -1.537 19.038 1.00 0.00 C ATOM 1114 CG GLN A 71 0.503 -0.429 18.822 1.00 0.00 C ATOM 1115 CD GLN A 71 1.411 -0.335 20.049 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.985 -1.320 20.473 1.00 0.00 O ATOM 1117 NE2 GLN A 71 1.567 0.815 20.644 1.00 0.00 N ATOM 0 H GLN A 71 -2.503 -2.899 19.118 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.738 -0.806 17.375 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.197 -1.272 19.858 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.031 -2.464 19.321 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.096 -0.638 17.932 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.001 0.524 18.654 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.086 1.642 20.290 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.170 0.888 21.464 1.00 0.00 H new ATOM 1126 N ARG A 72 0.076 -3.505 16.851 1.00 0.00 N ATOM 1127 CA ARG A 72 0.943 -4.122 15.806 1.00 0.00 C ATOM 1128 C ARG A 72 0.194 -4.178 14.473 1.00 0.00 C ATOM 1129 O ARG A 72 0.696 -3.754 13.451 1.00 0.00 O ATOM 1130 CB ARG A 72 1.242 -5.531 16.318 1.00 0.00 C ATOM 1131 CG ARG A 72 2.062 -5.439 17.608 1.00 0.00 C ATOM 1132 CD ARG A 72 2.486 -6.841 18.051 1.00 0.00 C ATOM 1133 NE ARG A 72 3.078 -6.649 19.406 1.00 0.00 N ATOM 1134 CZ ARG A 72 4.134 -7.328 19.761 1.00 0.00 C ATOM 1135 NH1 ARG A 72 5.289 -6.730 19.872 1.00 0.00 N ATOM 1136 NH2 ARG A 72 4.036 -8.607 20.006 1.00 0.00 N ATOM 0 H ARG A 72 -0.059 -4.067 17.692 1.00 0.00 H new ATOM 0 HA ARG A 72 1.857 -3.553 15.634 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.312 -6.068 16.503 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.791 -6.095 15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.942 -4.816 17.447 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.473 -4.962 18.391 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.634 -7.520 18.084 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.211 -7.272 17.360 1.00 0.00 H new ATOM 0 HE ARG A 72 2.657 -5.986 20.056 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.366 -5.731 19.681 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.114 -7.262 20.150 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.134 -9.075 19.920 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.862 -9.138 20.284 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.006 -4.691 14.476 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.784 -4.761 13.207 1.00 0.00 C ATOM 1152 C LEU A 73 -1.798 -3.389 12.533 1.00 0.00 C ATOM 1153 O LEU A 73 -1.507 -3.257 11.361 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.197 -5.165 13.628 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.169 -6.570 14.233 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.555 -6.918 14.774 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.773 -7.581 13.154 1.00 0.00 C ATOM 0 H LEU A 73 -1.480 -5.063 15.299 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.357 -5.467 12.495 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.589 -4.453 14.354 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.865 -5.142 12.767 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.443 -6.603 15.046 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.536 -7.919 15.205 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.838 -6.197 15.541 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.281 -6.886 13.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.753 -8.583 13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.499 -7.549 12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.785 -7.332 12.767 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.135 -2.364 13.268 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.166 -0.998 12.676 1.00 0.00 C ATOM 1171 C GLU A 74 -0.821 -0.674 12.016 1.00 0.00 C ATOM 1172 O GLU A 74 -0.760 -0.280 10.866 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.420 -0.062 13.857 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.764 -0.402 14.503 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.861 -0.377 13.439 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.947 0.611 12.728 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.597 -1.347 13.353 1.00 0.00 O ATOM 0 H GLU A 74 -2.390 -2.415 14.254 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.930 -0.900 11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.619 -0.159 14.589 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.420 0.974 13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.717 -1.386 14.969 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.992 0.314 15.293 1.00 0.00 H new ATOM 1184 N GLU A 75 0.261 -0.829 12.736 1.00 0.00 N ATOM 1185 CA GLU A 75 1.599 -0.522 12.153 1.00 0.00 C ATOM 1186 C GLU A 75 1.790 -1.265 10.830 1.00 0.00 C ATOM 1187 O GLU A 75 2.072 -0.668 9.809 1.00 0.00 O ATOM 1188 CB GLU A 75 2.604 -1.010 13.196 1.00 0.00 C ATOM 1189 CG GLU A 75 4.019 -0.624 12.765 1.00 0.00 C ATOM 1190 CD GLU A 75 5.028 -1.206 13.757 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.602 -1.893 14.670 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.211 -0.953 13.588 1.00 0.00 O ATOM 0 H GLU A 75 0.274 -1.155 13.702 1.00 0.00 H new ATOM 0 HA GLU A 75 1.719 0.539 11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.377 -0.572 14.168 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.530 -2.092 13.309 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.221 -0.999 11.762 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.116 0.461 12.725 1.00 0.00 H new ATOM 1199 N ILE A 76 1.635 -2.560 10.834 1.00 0.00 N ATOM 1200 CA ILE A 76 1.804 -3.324 9.567 1.00 0.00 C ATOM 1201 C ILE A 76 0.845 -2.774 8.510 1.00 0.00 C ATOM 1202 O ILE A 76 1.157 -2.724 7.336 1.00 0.00 O ATOM 1203 CB ILE A 76 1.449 -4.768 9.923 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.371 -5.255 11.043 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.631 -5.656 8.691 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.824 -4.943 10.679 1.00 0.00 C ATOM 0 H ILE A 76 1.400 -3.119 11.654 1.00 0.00 H new ATOM 0 HA ILE A 76 2.812 -3.250 9.160 1.00 0.00 H new ATOM 0 HB ILE A 76 0.412 -4.818 10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.108 -4.769 11.982 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.244 -6.327 11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.378 -6.686 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.977 -5.308 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.668 -5.608 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.481 -5.290 11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.083 -5.450 9.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.944 -3.867 10.552 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.313 -2.343 8.926 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.290 -1.780 7.955 1.00 0.00 C ATOM 1220 C ALA A 77 -0.667 -0.579 7.242 1.00 0.00 C ATOM 1221 O ALA A 77 -0.939 -0.318 6.087 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.486 -1.342 8.799 1.00 0.00 C ATOM 0 H ALA A 77 -0.625 -2.357 9.897 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.581 -2.499 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.252 -0.915 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.896 -2.204 9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.165 -0.594 9.524 1.00 0.00 H new ATOM 1228 N GLU A 78 0.173 0.153 7.922 1.00 0.00 N ATOM 1229 CA GLU A 78 0.818 1.333 7.282 1.00 0.00 C ATOM 1230 C GLU A 78 1.619 0.894 6.053 1.00 0.00 C ATOM 1231 O GLU A 78 1.609 1.547 5.029 1.00 0.00 O ATOM 1232 CB GLU A 78 1.750 1.905 8.351 1.00 0.00 C ATOM 1233 CG GLU A 78 0.916 2.482 9.497 1.00 0.00 C ATOM 1234 CD GLU A 78 1.840 3.163 10.509 1.00 0.00 C ATOM 1235 OE1 GLU A 78 3.032 2.906 10.460 1.00 0.00 O ATOM 1236 OE2 GLU A 78 1.340 3.931 11.314 1.00 0.00 O ATOM 0 H GLU A 78 0.440 -0.015 8.892 1.00 0.00 H new ATOM 0 HA GLU A 78 0.089 2.068 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.413 1.125 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.382 2.681 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.193 3.199 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.349 1.688 9.983 1.00 0.00 H new ATOM 1243 N ASP A 79 2.317 -0.206 6.148 1.00 0.00 N ATOM 1244 CA ASP A 79 3.120 -0.681 4.984 1.00 0.00 C ATOM 1245 C ASP A 79 3.206 -2.209 4.991 1.00 0.00 C ATOM 1246 O ASP A 79 3.083 -2.833 6.026 1.00 0.00 O ATOM 1247 CB ASP A 79 4.506 -0.065 5.185 1.00 0.00 C ATOM 1248 CG ASP A 79 4.926 0.675 3.912 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.052 1.181 3.228 1.00 0.00 O ATOM 1250 OD2 ASP A 79 6.115 0.723 3.645 1.00 0.00 O ATOM 0 H ASP A 79 2.366 -0.795 6.979 1.00 0.00 H new ATOM 0 HA ASP A 79 2.679 -0.392 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.491 0.623 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.231 -0.844 5.421 1.00 0.00 H new ATOM 1255 N PRO A 80 3.420 -2.763 3.828 1.00 0.00 N ATOM 1256 CA PRO A 80 3.529 -4.232 3.687 1.00 0.00 C ATOM 1257 C PRO A 80 4.691 -4.769 4.529 1.00 0.00 C ATOM 1258 O PRO A 80 4.509 -5.620 5.376 1.00 0.00 O ATOM 1259 CB PRO A 80 3.799 -4.407 2.191 1.00 0.00 C ATOM 1260 CG PRO A 80 3.834 -3.015 1.528 1.00 0.00 C ATOM 1261 CD PRO A 80 3.563 -1.949 2.598 1.00 0.00 C ATOM 0 HA PRO A 80 2.646 -4.773 4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.746 -4.923 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.023 -5.022 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.804 -2.843 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.086 -2.955 0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.382 -1.235 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.661 -1.377 2.382 1.00 0.00 H new ATOM 1269 N GLY A 81 5.883 -4.287 4.303 1.00 0.00 N ATOM 1270 CA GLY A 81 7.043 -4.782 5.093 1.00 0.00 C ATOM 1271 C GLY A 81 7.524 -6.104 4.497 1.00 0.00 C ATOM 1272 O GLY A 81 7.580 -6.269 3.294 1.00 0.00 O ATOM 0 H GLY A 81 6.102 -3.574 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.849 -4.048 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.756 -4.921 6.135 1.00 0.00 H new ATOM 1276 N THR A 82 7.865 -7.051 5.325 1.00 0.00 N ATOM 1277 CA THR A 82 8.333 -8.363 4.797 1.00 0.00 C ATOM 1278 C THR A 82 7.129 -9.223 4.409 1.00 0.00 C ATOM 1279 O THR A 82 7.235 -10.148 3.629 1.00 0.00 O ATOM 1280 CB THR A 82 9.104 -9.003 5.953 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.201 -9.316 7.004 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.166 -8.028 6.461 1.00 0.00 C ATOM 0 H THR A 82 7.840 -6.974 6.342 1.00 0.00 H new ATOM 0 HA THR A 82 8.954 -8.259 3.907 1.00 0.00 H new ATOM 0 HB THR A 82 9.590 -9.916 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.692 -9.728 7.745 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.715 -8.485 7.285 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.857 -7.789 5.653 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.684 -7.114 6.809 1.00 0.00 H new ATOM 1290 N CYS A 83 5.982 -8.922 4.952 1.00 0.00 N ATOM 1291 CA CYS A 83 4.772 -9.722 4.619 1.00 0.00 C ATOM 1292 C CYS A 83 4.557 -9.749 3.102 1.00 0.00 C ATOM 1293 O CYS A 83 4.416 -10.794 2.501 1.00 0.00 O ATOM 1294 CB CYS A 83 3.618 -8.999 5.317 1.00 0.00 C ATOM 1295 SG CYS A 83 2.138 -10.040 5.280 1.00 0.00 S ATOM 0 H CYS A 83 5.831 -8.158 5.611 1.00 0.00 H new ATOM 0 HA CYS A 83 4.857 -10.759 4.943 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.889 -8.771 6.348 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.419 -8.048 4.822 1.00 0.00 H new ATOM 1300 N GLU A 84 4.520 -8.603 2.482 1.00 0.00 N ATOM 1301 CA GLU A 84 4.298 -8.557 1.007 1.00 0.00 C ATOM 1302 C GLU A 84 5.429 -9.260 0.249 1.00 0.00 C ATOM 1303 O GLU A 84 5.234 -9.749 -0.845 1.00 0.00 O ATOM 1304 CB GLU A 84 4.274 -7.070 0.661 1.00 0.00 C ATOM 1305 CG GLU A 84 4.011 -6.900 -0.838 1.00 0.00 C ATOM 1306 CD GLU A 84 4.131 -5.420 -1.210 1.00 0.00 C ATOM 1307 OE1 GLU A 84 3.340 -4.638 -0.710 1.00 0.00 O ATOM 1308 OE2 GLU A 84 5.009 -5.096 -1.992 1.00 0.00 O ATOM 0 H GLU A 84 4.634 -7.695 2.932 1.00 0.00 H new ATOM 0 HA GLU A 84 3.378 -9.069 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.499 -6.564 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.224 -6.608 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.725 -7.490 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.017 -7.270 -1.088 1.00 0.00 H new ATOM 1315 N ILE A 85 6.611 -9.312 0.803 1.00 0.00 N ATOM 1316 CA ILE A 85 7.731 -9.982 0.080 1.00 0.00 C ATOM 1317 C ILE A 85 7.913 -11.415 0.587 1.00 0.00 C ATOM 1318 O ILE A 85 8.910 -12.058 0.318 1.00 0.00 O ATOM 1319 CB ILE A 85 8.968 -9.130 0.378 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.415 -9.359 1.821 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.625 -7.652 0.183 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.490 -8.335 2.189 1.00 0.00 C ATOM 0 H ILE A 85 6.848 -8.924 1.716 1.00 0.00 H new ATOM 0 HA ILE A 85 7.544 -10.056 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 85 9.773 -9.413 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.564 -9.267 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.806 -10.370 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.504 -7.043 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.307 -7.485 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.819 -7.373 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.810 -8.497 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.344 -8.448 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.083 -7.329 2.090 1.00 0.00 H new ATOM 1334 N CYS A 86 6.953 -11.924 1.311 1.00 0.00 N ATOM 1335 CA CYS A 86 7.061 -13.320 1.828 1.00 0.00 C ATOM 1336 C CYS A 86 8.400 -13.532 2.539 1.00 0.00 C ATOM 1337 O CYS A 86 8.844 -14.649 2.721 1.00 0.00 O ATOM 1338 CB CYS A 86 6.968 -14.209 0.587 1.00 0.00 C ATOM 1339 SG CYS A 86 5.549 -15.322 0.747 1.00 0.00 S ATOM 0 H CYS A 86 6.097 -11.433 1.568 1.00 0.00 H new ATOM 0 HA CYS A 86 6.282 -13.546 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.863 -13.594 -0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.885 -14.786 0.470 1.00 0.00 H new ATOM 1344 N ALA A 87 9.047 -12.476 2.947 1.00 0.00 N ATOM 1345 CA ALA A 87 10.354 -12.633 3.649 1.00 0.00 C ATOM 1346 C ALA A 87 10.137 -13.267 5.025 1.00 0.00 C ATOM 1347 O ALA A 87 11.070 -13.681 5.684 1.00 0.00 O ATOM 1348 CB ALA A 87 10.901 -11.212 3.794 1.00 0.00 C ATOM 0 H ALA A 87 8.730 -11.514 2.826 1.00 0.00 H new ATOM 0 HA ALA A 87 11.042 -13.279 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.864 -11.243 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.027 -10.768 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.202 -10.611 4.376 1.00 0.00 H new ATOM 1354 N TYR A 88 8.910 -13.343 5.463 1.00 0.00 N ATOM 1355 CA TYR A 88 8.627 -13.947 6.797 1.00 0.00 C ATOM 1356 C TYR A 88 7.255 -14.627 6.786 1.00 0.00 C ATOM 1357 O TYR A 88 6.524 -14.556 5.818 1.00 0.00 O ATOM 1358 CB TYR A 88 8.634 -12.767 7.767 1.00 0.00 C ATOM 1359 CG TYR A 88 8.599 -13.278 9.188 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.707 -13.947 9.721 1.00 0.00 C ATOM 1361 CD2 TYR A 88 7.458 -13.077 9.975 1.00 0.00 C ATOM 1362 CE1 TYR A 88 9.674 -14.417 11.039 1.00 0.00 C ATOM 1363 CE2 TYR A 88 7.425 -13.545 11.294 1.00 0.00 C ATOM 1364 CZ TYR A 88 8.533 -14.216 11.826 1.00 0.00 C ATOM 1365 OH TYR A 88 8.502 -14.677 13.126 1.00 0.00 O ATOM 0 H TYR A 88 8.090 -13.013 4.954 1.00 0.00 H new ATOM 0 HA TYR A 88 9.356 -14.709 7.074 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.526 -12.160 7.610 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.774 -12.124 7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.588 -14.101 9.115 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.603 -12.561 9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.528 -14.935 11.449 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.545 -13.389 11.901 1.00 0.00 H new ATOM 0 HH TYR A 88 7.638 -14.454 13.532 1.00 0.00 H new ATOM 1375 N ALA A 89 6.899 -15.284 7.855 1.00 0.00 N ATOM 1376 CA ALA A 89 5.573 -15.964 7.904 1.00 0.00 C ATOM 1377 C ALA A 89 4.463 -14.934 8.130 1.00 0.00 C ATOM 1378 O ALA A 89 3.300 -15.271 8.236 1.00 0.00 O ATOM 1379 CB ALA A 89 5.665 -16.929 9.085 1.00 0.00 C ATOM 0 H ALA A 89 7.468 -15.380 8.696 1.00 0.00 H new ATOM 0 HA ALA A 89 5.338 -16.484 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.724 -17.469 9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.474 -17.639 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.863 -16.368 9.999 1.00 0.00 H new ATOM 1385 N ALA A 90 4.814 -13.678 8.206 1.00 0.00 N ATOM 1386 CA ALA A 90 3.782 -12.624 8.426 1.00 0.00 C ATOM 1387 C ALA A 90 2.717 -12.685 7.327 1.00 0.00 C ATOM 1388 O ALA A 90 1.540 -12.521 7.580 1.00 0.00 O ATOM 1389 CB ALA A 90 4.548 -11.303 8.355 1.00 0.00 C ATOM 0 H ALA A 90 5.772 -13.336 8.125 1.00 0.00 H new ATOM 0 HA ALA A 90 3.263 -12.747 9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.858 -10.473 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.314 -11.285 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.019 -11.208 7.377 1.00 0.00 H new ATOM 1395 N CYS A 91 3.122 -12.916 6.109 1.00 0.00 N ATOM 1396 CA CYS A 91 2.133 -12.982 4.994 1.00 0.00 C ATOM 1397 C CYS A 91 1.922 -14.430 4.549 1.00 0.00 C ATOM 1398 O CYS A 91 2.861 -15.144 4.260 1.00 0.00 O ATOM 1399 CB CYS A 91 2.758 -12.170 3.861 1.00 0.00 C ATOM 1400 SG CYS A 91 1.743 -10.707 3.535 1.00 0.00 S ATOM 0 H CYS A 91 4.094 -13.062 5.837 1.00 0.00 H new ATOM 0 HA CYS A 91 1.158 -12.595 5.292 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.771 -11.870 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.835 -12.780 2.961 1.00 0.00 H new ATOM 1405 N THR A 92 0.696 -14.865 4.486 1.00 0.00 N ATOM 1406 CA THR A 92 0.426 -16.265 4.053 1.00 0.00 C ATOM 1407 C THR A 92 -0.250 -16.270 2.680 1.00 0.00 C ATOM 1408 O THR A 92 -0.883 -15.309 2.288 1.00 0.00 O ATOM 1409 CB THR A 92 -0.511 -16.835 5.118 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.776 -16.196 5.021 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.085 -16.587 6.504 1.00 0.00 C ATOM 0 H THR A 92 -0.131 -14.313 4.715 1.00 0.00 H new ATOM 0 HA THR A 92 1.339 -16.854 3.959 1.00 0.00 H new ATOM 0 HB THR A 92 -0.633 -17.907 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.380 -16.560 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.582 -16.993 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.057 -17.076 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.206 -15.515 6.662 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.126 -17.342 1.947 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.765 -17.403 0.602 1.00 0.00 C ATOM 1421 C GLY A 93 0.239 -16.964 -0.466 1.00 0.00 C ATOM 1422 O GLY A 93 0.080 -17.253 -1.636 1.00 0.00 O ATOM 0 H GLY A 93 0.390 -18.178 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.108 -18.417 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.643 -16.758 0.576 1.00 0.00 H new ATOM 1426 N CYS A 94 1.273 -16.268 -0.074 1.00 0.00 N ATOM 1427 CA CYS A 94 2.288 -15.810 -1.068 1.00 0.00 C ATOM 1428 C CYS A 94 1.600 -15.354 -2.359 1.00 0.00 C ATOM 1429 O CYS A 94 0.681 -14.557 -2.268 1.00 0.00 O ATOM 1430 CB CYS A 94 3.165 -17.033 -1.333 1.00 0.00 C ATOM 1431 SG CYS A 94 4.763 -16.820 -0.509 1.00 0.00 S ATOM 1432 OXT CYS A 94 2.004 -15.810 -3.416 1.00 0.00 O ATOM 0 H CYS A 94 1.459 -15.997 0.892 1.00 0.00 H new ATOM 0 HA CYS A 94 2.869 -14.963 -0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.672 -17.933 -0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.311 -17.163 -2.405 1.00 0.00 H new TER 1437 CYS A 94