USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=22 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 40 SER OG : rot -105:sc= 0.988 USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0.761 USER MOD Set 2.1: A 19 THR OG1 : rot -18:sc= 0.185 USER MOD Set 2.2: A 32 HIS : no HD1:sc= 0 X(o=0.18,f=0.14) USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.0354 K(o=-0.035,f=-4.7!) USER MOD Set 3.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -137:sc= -0.196 (180deg=-0.662) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0112 (180deg=-0.13) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.0346 K(o=-0.035,f=-5.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 24 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.84) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 41:sc= 0.0613 USER MOD Single : A 30 TYR OH : rot 30:sc= -0.358 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.0337 (180deg=-0.22) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0201 F(o=-0.93,f=-0.02) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -103:sc= 0.889 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -150:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 51 SER OG : rot -91:sc= 1.03 USER MOD Single : A 63 THR OG1 : rot -85:sc= 0.459 USER MOD Single : A 67 SER OG : rot 104:sc= 1.21 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.531 10.618 8.903 1.00 0.00 N ATOM 2 CA MET A 1 13.108 10.231 9.024 1.00 0.00 C ATOM 3 C MET A 1 13.003 8.820 9.578 1.00 0.00 C ATOM 4 O MET A 1 13.861 7.978 9.313 1.00 0.00 O ATOM 5 CB MET A 1 12.408 10.308 7.664 1.00 0.00 C ATOM 6 CG MET A 1 12.357 11.709 7.082 1.00 0.00 C ATOM 7 SD MET A 1 11.520 11.771 5.482 1.00 0.00 S ATOM 8 CE MET A 1 12.577 10.707 4.500 1.00 0.00 C ATOM 0 H1 MET A 1 14.687 11.523 9.392 1.00 0.00 H new ATOM 0 H2 MET A 1 15.128 9.884 9.334 1.00 0.00 H new ATOM 0 H3 MET A 1 14.779 10.720 7.898 1.00 0.00 H new ATOM 0 HA MET A 1 12.617 10.926 9.706 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.923 9.651 6.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.391 9.930 7.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.844 12.370 7.781 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.373 12.089 6.971 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.739 11.158 3.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.535 10.580 5.004 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.100 9.734 4.377 1.00 0.00 H new ATOM 20 N THR A 2 11.962 8.567 10.356 1.00 0.00 N ATOM 21 CA THR A 2 11.762 7.259 10.959 1.00 0.00 C ATOM 22 C THR A 2 11.409 6.218 9.898 1.00 0.00 C ATOM 23 O THR A 2 10.389 6.336 9.215 1.00 0.00 O ATOM 24 CB THR A 2 10.641 7.317 12.009 1.00 0.00 C ATOM 25 OG1 THR A 2 10.776 8.516 12.785 1.00 0.00 O ATOM 26 CG2 THR A 2 10.689 6.105 12.931 1.00 0.00 C ATOM 0 H THR A 2 11.242 9.252 10.585 1.00 0.00 H new ATOM 0 HA THR A 2 12.695 6.969 11.442 1.00 0.00 H new ATOM 0 HB THR A 2 9.683 7.314 11.490 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.061 8.555 13.454 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.885 6.173 13.663 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.568 5.195 12.343 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.649 6.078 13.447 1.00 0.00 H new ATOM 34 N HIS A 3 12.259 5.209 9.756 1.00 0.00 N ATOM 35 CA HIS A 3 12.053 4.167 8.761 1.00 0.00 C ATOM 36 C HIS A 3 11.575 2.875 9.415 1.00 0.00 C ATOM 37 O HIS A 3 12.199 2.364 10.349 1.00 0.00 O ATOM 38 CB HIS A 3 13.344 3.915 7.970 1.00 0.00 C ATOM 39 CG HIS A 3 13.240 2.798 6.967 1.00 0.00 C ATOM 40 ND1 HIS A 3 13.759 1.541 7.189 1.00 0.00 N ATOM 41 CD2 HIS A 3 12.685 2.755 5.727 1.00 0.00 C ATOM 42 CE1 HIS A 3 13.531 0.778 6.138 1.00 0.00 C ATOM 43 NE2 HIS A 3 12.882 1.485 5.241 1.00 0.00 N ATOM 0 H HIS A 3 13.100 5.091 10.320 1.00 0.00 H new ATOM 0 HA HIS A 3 11.281 4.508 8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.624 4.831 7.450 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.148 3.687 8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.184 3.566 5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.828 -0.255 6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.574 1.146 4.330 1.00 0.00 H new ATOM 52 N HIS A 4 10.463 2.365 8.915 1.00 0.00 N ATOM 53 CA HIS A 4 9.909 1.096 9.357 1.00 0.00 C ATOM 54 C HIS A 4 10.019 0.069 8.231 1.00 0.00 C ATOM 55 O HIS A 4 9.697 0.373 7.081 1.00 0.00 O ATOM 56 CB HIS A 4 8.440 1.280 9.768 1.00 0.00 C ATOM 57 CG HIS A 4 7.746 0.017 10.164 1.00 0.00 C ATOM 58 ND1 HIS A 4 8.250 -0.875 11.084 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.582 -0.501 9.738 1.00 0.00 C ATOM 60 CE1 HIS A 4 7.416 -1.889 11.208 1.00 0.00 C ATOM 61 NE2 HIS A 4 6.396 -1.687 10.400 1.00 0.00 N ATOM 0 H HIS A 4 9.915 2.822 8.186 1.00 0.00 H new ATOM 0 HA HIS A 4 10.470 0.738 10.220 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.394 1.982 10.601 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.898 1.733 8.938 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.916 -0.064 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.547 -2.740 11.861 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.598 -2.311 10.285 1.00 0.00 H new ATOM 70 N THR A 5 10.480 -1.129 8.561 1.00 0.00 N ATOM 71 CA THR A 5 10.596 -2.202 7.582 1.00 0.00 C ATOM 72 C THR A 5 9.891 -3.463 8.072 1.00 0.00 C ATOM 73 O THR A 5 10.030 -3.837 9.237 1.00 0.00 O ATOM 74 CB THR A 5 12.071 -2.550 7.299 1.00 0.00 C ATOM 75 OG1 THR A 5 12.940 -1.635 7.983 1.00 0.00 O ATOM 76 CG2 THR A 5 12.353 -2.510 5.804 1.00 0.00 C ATOM 0 H THR A 5 10.781 -1.383 9.502 1.00 0.00 H new ATOM 0 HA THR A 5 10.126 -1.844 6.666 1.00 0.00 H new ATOM 0 HB THR A 5 12.259 -3.559 7.665 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.873 -1.868 7.796 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.399 -2.758 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.716 -3.232 5.294 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.146 -1.510 5.421 1.00 0.00 H new ATOM 84 N GLU A 6 9.122 -4.099 7.196 1.00 0.00 N ATOM 85 CA GLU A 6 8.510 -5.385 7.508 1.00 0.00 C ATOM 86 C GLU A 6 8.126 -6.124 6.230 1.00 0.00 C ATOM 87 O GLU A 6 7.951 -5.513 5.174 1.00 0.00 O ATOM 88 CB GLU A 6 7.283 -5.216 8.410 1.00 0.00 C ATOM 89 CG GLU A 6 6.164 -4.398 7.793 1.00 0.00 C ATOM 90 CD GLU A 6 4.919 -4.400 8.654 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.847 -3.591 9.603 1.00 0.00 O ATOM 92 OE2 GLU A 6 4.017 -5.222 8.400 1.00 0.00 O ATOM 0 H GLU A 6 8.907 -3.745 6.264 1.00 0.00 H new ATOM 0 HA GLU A 6 9.248 -5.978 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.897 -6.202 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.593 -4.742 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.503 -3.372 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.924 -4.797 6.808 1.00 0.00 H new ATOM 99 N VAL A 7 8.016 -7.437 6.331 1.00 0.00 N ATOM 100 CA VAL A 7 7.614 -8.272 5.210 1.00 0.00 C ATOM 101 C VAL A 7 6.194 -8.784 5.424 1.00 0.00 C ATOM 102 O VAL A 7 5.873 -9.314 6.488 1.00 0.00 O ATOM 103 CB VAL A 7 8.578 -9.469 5.027 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.088 -10.404 3.927 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.983 -8.980 4.715 1.00 0.00 C ATOM 0 H VAL A 7 8.202 -7.955 7.190 1.00 0.00 H new ATOM 0 HA VAL A 7 7.651 -7.663 4.307 1.00 0.00 H new ATOM 0 HB VAL A 7 8.601 -10.027 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.784 -11.236 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.102 -10.787 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.028 -9.858 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.647 -9.836 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.969 -8.394 3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.343 -8.359 5.535 1.00 0.00 H new ATOM 115 N PHE A 8 5.340 -8.592 4.433 1.00 0.00 N ATOM 116 CA PHE A 8 3.966 -9.052 4.525 1.00 0.00 C ATOM 117 C PHE A 8 3.672 -10.063 3.424 1.00 0.00 C ATOM 118 O PHE A 8 3.558 -9.695 2.258 1.00 0.00 O ATOM 119 CB PHE A 8 2.997 -7.871 4.409 1.00 0.00 C ATOM 120 CG PHE A 8 1.579 -8.222 4.751 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.218 -8.492 6.060 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.606 -8.277 3.766 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.085 -8.813 6.380 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.701 -8.596 4.082 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.045 -8.864 5.390 1.00 0.00 C ATOM 0 H PHE A 8 5.573 -8.122 3.558 1.00 0.00 H new ATOM 0 HA PHE A 8 3.830 -9.529 5.495 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.333 -7.070 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.031 -7.482 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.965 -8.451 6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.872 -8.068 2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.354 -9.024 7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.451 -8.635 3.306 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.066 -9.114 5.640 1.00 0.00 H new ATOM 135 N GLU A 9 3.564 -11.331 3.809 1.00 0.00 N ATOM 136 CA GLU A 9 3.170 -12.418 2.900 1.00 0.00 C ATOM 137 C GLU A 9 3.964 -12.393 1.587 1.00 0.00 C ATOM 138 O GLU A 9 3.427 -12.696 0.520 1.00 0.00 O ATOM 139 CB GLU A 9 1.665 -12.345 2.608 1.00 0.00 C ATOM 140 CG GLU A 9 0.798 -12.362 3.857 1.00 0.00 C ATOM 141 CD GLU A 9 1.079 -13.549 4.759 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.526 -14.638 4.515 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.853 -13.392 5.730 1.00 0.00 O ATOM 0 H GLU A 9 3.747 -11.641 4.763 1.00 0.00 H new ATOM 0 HA GLU A 9 3.399 -13.359 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.457 -11.435 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.386 -13.185 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.960 -11.441 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.252 -12.376 3.564 1.00 0.00 H new ATOM 150 N GLY A 10 5.239 -12.032 1.666 1.00 0.00 N ATOM 151 CA GLY A 10 6.078 -12.043 0.481 1.00 0.00 C ATOM 152 C GLY A 10 6.396 -10.655 -0.038 1.00 0.00 C ATOM 153 O GLY A 10 7.273 -10.490 -0.887 1.00 0.00 O ATOM 0 H GLY A 10 5.705 -11.734 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.010 -12.561 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.580 -12.612 -0.304 1.00 0.00 H new ATOM 157 N GLY A 11 5.680 -9.656 0.462 1.00 0.00 N ATOM 158 CA GLY A 11 5.922 -8.288 0.050 1.00 0.00 C ATOM 159 C GLY A 11 6.752 -7.535 1.068 1.00 0.00 C ATOM 160 O GLY A 11 6.819 -7.937 2.226 1.00 0.00 O ATOM 0 H GLY A 11 4.934 -9.770 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.434 -8.283 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.970 -7.777 -0.093 1.00 0.00 H new ATOM 164 N THR A 12 7.380 -6.453 0.652 1.00 0.00 N ATOM 165 CA THR A 12 8.241 -5.687 1.539 1.00 0.00 C ATOM 166 C THR A 12 7.687 -4.279 1.738 1.00 0.00 C ATOM 167 O THR A 12 7.381 -3.586 0.770 1.00 0.00 O ATOM 168 CB THR A 12 9.676 -5.618 0.978 1.00 0.00 C ATOM 169 OG1 THR A 12 10.134 -6.949 0.686 1.00 0.00 O ATOM 170 CG2 THR A 12 10.627 -4.957 1.970 1.00 0.00 C ATOM 0 H THR A 12 7.312 -6.082 -0.296 1.00 0.00 H new ATOM 0 HA THR A 12 8.269 -6.192 2.505 1.00 0.00 H new ATOM 0 HB THR A 12 9.663 -5.016 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.045 -6.910 0.327 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.630 -4.923 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.287 -3.943 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.644 -5.532 2.896 1.00 0.00 H new ATOM 178 N ILE A 13 7.541 -3.873 2.992 1.00 0.00 N ATOM 179 CA ILE A 13 6.997 -2.561 3.313 1.00 0.00 C ATOM 180 C ILE A 13 8.093 -1.616 3.796 1.00 0.00 C ATOM 181 O ILE A 13 8.764 -1.886 4.797 1.00 0.00 O ATOM 182 CB ILE A 13 5.904 -2.660 4.403 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.764 -3.569 3.937 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.375 -1.275 4.764 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.676 -3.762 4.972 1.00 0.00 C ATOM 0 H ILE A 13 7.792 -4.435 3.805 1.00 0.00 H new ATOM 0 HA ILE A 13 6.556 -2.166 2.398 1.00 0.00 H new ATOM 0 HB ILE A 13 6.349 -3.097 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.323 -3.149 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.174 -4.542 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.607 -1.368 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.192 -0.660 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.947 -0.807 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.903 -4.417 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.102 -4.211 5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.238 -2.796 5.224 1.00 0.00 H new ATOM 197 N ASP A 14 8.270 -0.517 3.076 1.00 0.00 N ATOM 198 CA ASP A 14 9.179 0.545 3.488 1.00 0.00 C ATOM 199 C ASP A 14 8.392 1.790 3.851 1.00 0.00 C ATOM 200 O ASP A 14 7.745 2.396 2.995 1.00 0.00 O ATOM 201 CB ASP A 14 10.169 0.889 2.374 1.00 0.00 C ATOM 202 CG ASP A 14 11.332 -0.070 2.300 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.219 0.000 3.178 1.00 0.00 O ATOM 204 OD2 ASP A 14 11.381 -0.879 1.350 1.00 0.00 O ATOM 0 H ASP A 14 7.790 -0.336 2.194 1.00 0.00 H new ATOM 0 HA ASP A 14 9.735 0.189 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.645 0.890 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.548 1.899 2.531 1.00 0.00 H new ATOM 209 N ILE A 15 8.432 2.159 5.119 1.00 0.00 N ATOM 210 CA ILE A 15 7.750 3.356 5.579 1.00 0.00 C ATOM 211 C ILE A 15 8.752 4.349 6.148 1.00 0.00 C ATOM 212 O ILE A 15 9.528 4.008 7.037 1.00 0.00 O ATOM 213 CB ILE A 15 6.699 3.035 6.667 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.706 1.981 6.167 1.00 0.00 C ATOM 215 CG2 ILE A 15 5.964 4.306 7.087 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.640 1.616 7.181 1.00 0.00 C ATOM 0 H ILE A 15 8.929 1.648 5.848 1.00 0.00 H new ATOM 0 HA ILE A 15 7.241 3.786 4.716 1.00 0.00 H new ATOM 0 HB ILE A 15 7.217 2.630 7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.223 2.351 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.255 1.081 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.228 4.064 7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.680 5.025 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.460 4.737 6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.975 0.865 6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.113 1.215 8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.065 2.505 7.440 1.00 0.00 H new ATOM 228 N GLU A 16 8.754 5.562 5.622 1.00 0.00 N ATOM 229 CA GLU A 16 9.549 6.628 6.201 1.00 0.00 C ATOM 230 C GLU A 16 8.686 7.815 6.561 1.00 0.00 C ATOM 231 O GLU A 16 8.071 8.442 5.697 1.00 0.00 O ATOM 232 CB GLU A 16 10.663 7.094 5.280 1.00 0.00 C ATOM 233 CG GLU A 16 11.899 6.210 5.315 1.00 0.00 C ATOM 234 CD GLU A 16 13.072 6.806 4.563 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.192 6.563 3.346 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.893 7.508 5.192 1.00 0.00 O ATOM 0 H GLU A 16 8.216 5.831 4.798 1.00 0.00 H new ATOM 0 HA GLU A 16 10.001 6.209 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.285 7.133 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.947 8.110 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.188 6.039 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.656 5.237 4.887 1.00 0.00 H new ATOM 243 N ASP A 17 8.653 8.097 7.850 1.00 0.00 N ATOM 244 CA ASP A 17 7.974 9.259 8.400 1.00 0.00 C ATOM 245 C ASP A 17 6.564 9.432 7.828 1.00 0.00 C ATOM 246 O ASP A 17 6.203 10.507 7.341 1.00 0.00 O ATOM 247 CB ASP A 17 8.805 10.526 8.183 1.00 0.00 C ATOM 248 CG ASP A 17 8.287 11.695 9.001 1.00 0.00 C ATOM 249 OD1 ASP A 17 7.996 11.503 10.204 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.171 12.808 8.451 1.00 0.00 O ATOM 0 H ASP A 17 9.104 7.517 8.557 1.00 0.00 H new ATOM 0 HA ASP A 17 7.867 9.089 9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.843 10.329 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.793 10.790 7.126 1.00 0.00 H new ATOM 255 N ASP A 18 5.792 8.345 7.858 1.00 0.00 N ATOM 256 CA ASP A 18 4.364 8.356 7.498 1.00 0.00 C ATOM 257 C ASP A 18 4.126 8.444 5.992 1.00 0.00 C ATOM 258 O ASP A 18 3.399 7.631 5.423 1.00 0.00 O ATOM 259 CB ASP A 18 3.630 9.510 8.201 1.00 0.00 C ATOM 260 CG ASP A 18 2.211 9.708 7.696 1.00 0.00 C ATOM 261 OD1 ASP A 18 1.296 9.006 8.186 1.00 0.00 O ATOM 262 OD2 ASP A 18 2.002 10.568 6.812 1.00 0.00 O ATOM 0 H ASP A 18 6.136 7.425 8.133 1.00 0.00 H new ATOM 0 HA ASP A 18 3.963 7.401 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.604 9.317 9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.193 10.432 8.057 1.00 0.00 H new ATOM 267 N THR A 19 4.735 9.426 5.355 1.00 0.00 N ATOM 268 CA THR A 19 4.399 9.770 3.983 1.00 0.00 C ATOM 269 C THR A 19 5.224 8.988 2.956 1.00 0.00 C ATOM 270 O THR A 19 4.719 8.647 1.884 1.00 0.00 O ATOM 271 CB THR A 19 4.557 11.280 3.764 1.00 0.00 C ATOM 272 OG1 THR A 19 3.857 11.980 4.804 1.00 0.00 O ATOM 273 CG2 THR A 19 4.014 11.705 2.407 1.00 0.00 C ATOM 0 H THR A 19 5.469 10.003 5.766 1.00 0.00 H new ATOM 0 HA THR A 19 3.358 9.487 3.827 1.00 0.00 H new ATOM 0 HB THR A 19 5.619 11.524 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.217 11.374 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.142 12.781 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.556 11.183 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.955 11.456 2.345 1.00 0.00 H new ATOM 281 N SER A 20 6.477 8.692 3.275 1.00 0.00 N ATOM 282 CA SER A 20 7.314 7.929 2.359 1.00 0.00 C ATOM 283 C SER A 20 6.914 6.458 2.422 1.00 0.00 C ATOM 284 O SER A 20 7.156 5.781 3.421 1.00 0.00 O ATOM 285 CB SER A 20 8.801 8.102 2.703 1.00 0.00 C ATOM 286 OG SER A 20 9.633 7.650 1.645 1.00 0.00 O ATOM 0 H SER A 20 6.931 8.964 4.147 1.00 0.00 H new ATOM 0 HA SER A 20 7.165 8.301 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.009 9.152 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.033 7.548 3.612 1.00 0.00 H new ATOM 0 HG SER A 20 10.573 7.774 1.892 1.00 0.00 H new ATOM 292 N LEU A 21 6.270 5.976 1.370 1.00 0.00 N ATOM 293 CA LEU A 21 5.764 4.614 1.344 1.00 0.00 C ATOM 294 C LEU A 21 6.255 3.898 0.093 1.00 0.00 C ATOM 295 O LEU A 21 6.017 4.352 -1.027 1.00 0.00 O ATOM 296 CB LEU A 21 4.230 4.629 1.371 1.00 0.00 C ATOM 297 CG LEU A 21 3.551 3.439 2.067 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.906 2.117 1.405 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.909 3.411 3.542 1.00 0.00 C ATOM 0 H LEU A 21 6.086 6.510 0.521 1.00 0.00 H new ATOM 0 HA LEU A 21 6.131 4.082 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.905 5.545 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.870 4.676 0.343 1.00 0.00 H new ATOM 0 HG LEU A 21 2.474 3.573 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.405 1.302 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.583 2.133 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.985 1.967 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.420 2.562 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.989 3.316 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.576 4.335 4.015 1.00 0.00 H new ATOM 311 N THR A 22 6.941 2.785 0.284 1.00 0.00 N ATOM 312 CA THR A 22 7.383 1.969 -0.832 1.00 0.00 C ATOM 313 C THR A 22 7.119 0.491 -0.564 1.00 0.00 C ATOM 314 O THR A 22 7.597 -0.067 0.419 1.00 0.00 O ATOM 315 CB THR A 22 8.878 2.190 -1.135 1.00 0.00 C ATOM 316 OG1 THR A 22 9.544 2.735 0.012 1.00 0.00 O ATOM 317 CG2 THR A 22 9.059 3.122 -2.322 1.00 0.00 C ATOM 0 H THR A 22 7.204 2.426 1.202 1.00 0.00 H new ATOM 0 HA THR A 22 6.808 2.277 -1.705 1.00 0.00 H new ATOM 0 HB THR A 22 9.318 1.223 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.493 2.869 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.122 3.262 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.584 2.687 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.600 4.086 -2.101 1.00 0.00 H new ATOM 325 N ILE A 23 6.337 -0.134 -1.431 1.00 0.00 N ATOM 326 CA ILE A 23 6.047 -1.556 -1.304 1.00 0.00 C ATOM 327 C ILE A 23 6.811 -2.341 -2.358 1.00 0.00 C ATOM 328 O ILE A 23 6.520 -2.244 -3.552 1.00 0.00 O ATOM 329 CB ILE A 23 4.536 -1.852 -1.435 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.762 -1.176 -0.298 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.286 -3.357 -1.432 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.260 -1.341 -0.400 1.00 0.00 C ATOM 0 H ILE A 23 5.892 0.319 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 23 6.365 -1.865 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 23 4.182 -1.447 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.100 -1.587 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.002 -0.113 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.217 -3.548 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.811 -3.815 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.651 -3.785 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.781 -0.836 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.909 -0.905 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.008 -2.401 -0.377 1.00 0.00 H new ATOM 344 N ASN A 24 7.819 -3.084 -1.905 1.00 0.00 N ATOM 345 CA ASN A 24 8.663 -3.896 -2.783 1.00 0.00 C ATOM 346 C ASN A 24 9.431 -2.996 -3.754 1.00 0.00 C ATOM 347 O ASN A 24 9.938 -3.442 -4.780 1.00 0.00 O ATOM 348 CB ASN A 24 7.813 -4.933 -3.535 1.00 0.00 C ATOM 349 CG ASN A 24 8.644 -5.999 -4.235 1.00 0.00 C ATOM 350 OD1 ASN A 24 8.985 -5.868 -5.411 1.00 0.00 O ATOM 351 ND2 ASN A 24 8.977 -7.064 -3.516 1.00 0.00 N ATOM 0 H ASN A 24 8.075 -3.141 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 24 9.389 -4.438 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.134 -5.415 -2.832 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.196 -4.420 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.534 -7.809 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.676 -7.138 -2.544 1.00 0.00 H new ATOM 358 N GLY A 25 9.536 -1.724 -3.397 1.00 0.00 N ATOM 359 CA GLY A 25 10.221 -0.765 -4.236 1.00 0.00 C ATOM 360 C GLY A 25 9.265 0.116 -5.014 1.00 0.00 C ATOM 361 O GLY A 25 9.679 1.094 -5.639 1.00 0.00 O ATOM 0 H GLY A 25 9.155 -1.338 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.863 -0.139 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.869 -1.296 -4.933 1.00 0.00 H new ATOM 365 N LYS A 26 7.981 -0.217 -4.977 1.00 0.00 N ATOM 366 CA LYS A 26 6.980 0.562 -5.692 1.00 0.00 C ATOM 367 C LYS A 26 6.528 1.743 -4.842 1.00 0.00 C ATOM 368 O LYS A 26 6.096 1.567 -3.703 1.00 0.00 O ATOM 369 CB LYS A 26 5.780 -0.314 -6.064 1.00 0.00 C ATOM 370 CG LYS A 26 4.765 0.381 -6.964 1.00 0.00 C ATOM 371 CD LYS A 26 5.371 0.767 -8.307 1.00 0.00 C ATOM 372 CE LYS A 26 4.359 1.464 -9.201 1.00 0.00 C ATOM 373 NZ LYS A 26 4.939 1.822 -10.519 1.00 0.00 N ATOM 0 H LYS A 26 7.610 -1.016 -4.463 1.00 0.00 H new ATOM 0 HA LYS A 26 7.428 0.940 -6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.140 -1.213 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.281 -0.636 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.912 -0.278 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.388 1.274 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.226 1.423 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.745 -0.126 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.496 0.814 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.998 2.366 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.217 2.295 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.746 2.463 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.261 0.959 -11.003 1.00 0.00 H new ATOM 387 N GLU A 27 6.646 2.942 -5.400 1.00 0.00 N ATOM 388 CA GLU A 27 6.267 4.163 -4.698 1.00 0.00 C ATOM 389 C GLU A 27 4.756 4.223 -4.510 1.00 0.00 C ATOM 390 O GLU A 27 4.008 4.351 -5.481 1.00 0.00 O ATOM 391 CB GLU A 27 6.745 5.390 -5.479 1.00 0.00 C ATOM 392 CG GLU A 27 6.475 6.714 -4.778 1.00 0.00 C ATOM 393 CD GLU A 27 6.872 7.904 -5.624 1.00 0.00 C ATOM 394 OE1 GLU A 27 8.088 8.140 -5.795 1.00 0.00 O ATOM 395 OE2 GLU A 27 5.973 8.605 -6.134 1.00 0.00 O ATOM 0 H GLU A 27 7.004 3.095 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 27 6.741 4.159 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.816 5.298 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.257 5.400 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.415 6.783 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.023 6.742 -3.836 1.00 0.00 H new ATOM 402 N ILE A 28 4.316 4.116 -3.266 1.00 0.00 N ATOM 403 CA ILE A 28 2.900 4.189 -2.952 1.00 0.00 C ATOM 404 C ILE A 28 2.560 5.574 -2.420 1.00 0.00 C ATOM 405 O ILE A 28 2.716 5.858 -1.231 1.00 0.00 O ATOM 406 CB ILE A 28 2.483 3.116 -1.919 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.890 1.717 -2.401 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.980 3.170 -1.658 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.255 1.310 -3.717 1.00 0.00 C ATOM 0 H ILE A 28 4.921 3.978 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 28 2.347 3.999 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 28 3.002 3.326 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.974 1.681 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.619 0.988 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.710 2.407 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.713 4.153 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.442 2.989 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.592 0.310 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.170 1.312 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.546 2.016 -4.495 1.00 0.00 H new ATOM 421 N SER A 29 2.136 6.443 -3.317 1.00 0.00 N ATOM 422 CA SER A 29 1.791 7.800 -2.952 1.00 0.00 C ATOM 423 C SER A 29 0.329 7.897 -2.534 1.00 0.00 C ATOM 424 O SER A 29 -0.576 7.538 -3.295 1.00 0.00 O ATOM 425 CB SER A 29 2.087 8.746 -4.116 1.00 0.00 C ATOM 426 OG SER A 29 1.568 8.242 -5.338 1.00 0.00 O ATOM 0 H SER A 29 2.022 6.230 -4.308 1.00 0.00 H new ATOM 0 HA SER A 29 2.400 8.095 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.653 9.725 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.164 8.887 -4.207 1.00 0.00 H new ATOM 0 HG SER A 29 0.682 7.853 -5.181 1.00 0.00 H new ATOM 432 N TYR A 30 0.098 8.356 -1.315 1.00 0.00 N ATOM 433 CA TYR A 30 -1.257 8.595 -0.851 1.00 0.00 C ATOM 434 C TYR A 30 -1.648 10.029 -1.151 1.00 0.00 C ATOM 435 O TYR A 30 -0.786 10.878 -1.389 1.00 0.00 O ATOM 436 CB TYR A 30 -1.400 8.346 0.656 1.00 0.00 C ATOM 437 CG TYR A 30 -0.974 6.965 1.110 1.00 0.00 C ATOM 438 CD1 TYR A 30 -1.871 5.906 1.100 1.00 0.00 C ATOM 439 CD2 TYR A 30 0.316 6.726 1.563 1.00 0.00 C ATOM 440 CE1 TYR A 30 -1.493 4.646 1.522 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.702 5.469 1.986 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.206 4.433 1.964 1.00 0.00 C ATOM 443 OH TYR A 30 0.173 3.180 2.382 1.00 0.00 O ATOM 0 H TYR A 30 0.826 8.569 -0.633 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.912 7.899 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.809 9.089 1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.441 8.502 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.882 6.070 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.030 7.536 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.203 3.832 1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.711 5.299 2.332 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.342 2.503 1.895 1.00 0.00 H new ATOM 453 N VAL A 31 -2.937 10.294 -1.141 1.00 0.00 N ATOM 454 CA VAL A 31 -3.435 11.643 -1.317 1.00 0.00 C ATOM 455 C VAL A 31 -3.981 12.163 0.013 1.00 0.00 C ATOM 456 O VAL A 31 -5.059 11.780 0.461 1.00 0.00 O ATOM 457 CB VAL A 31 -4.507 11.721 -2.437 1.00 0.00 C ATOM 458 CG1 VAL A 31 -5.622 10.710 -2.214 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.073 13.129 -2.550 1.00 0.00 C ATOM 0 H VAL A 31 -3.663 9.589 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.608 12.278 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.016 11.471 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.354 10.793 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.204 9.703 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.107 10.908 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.822 13.158 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.534 13.413 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.269 13.826 -2.786 1.00 0.00 H new ATOM 469 N HIS A 32 -3.199 13.008 0.665 1.00 0.00 N ATOM 470 CA HIS A 32 -3.576 13.557 1.961 1.00 0.00 C ATOM 471 C HIS A 32 -4.398 14.824 1.775 1.00 0.00 C ATOM 472 O HIS A 32 -4.297 15.770 2.559 1.00 0.00 O ATOM 473 CB HIS A 32 -2.324 13.857 2.795 1.00 0.00 C ATOM 474 CG HIS A 32 -1.508 12.640 3.137 1.00 0.00 C ATOM 475 ND1 HIS A 32 -0.172 12.698 3.466 1.00 0.00 N ATOM 476 CD2 HIS A 32 -1.849 11.330 3.214 1.00 0.00 C ATOM 477 CE1 HIS A 32 0.271 11.486 3.735 1.00 0.00 C ATOM 478 NE2 HIS A 32 -0.725 10.633 3.592 1.00 0.00 N ATOM 0 H HIS A 32 -2.296 13.331 0.318 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.181 12.820 2.490 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.696 14.560 2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.626 14.351 3.719 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.824 10.911 3.015 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.281 11.234 4.024 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.671 9.625 3.737 1.00 0.00 H new ATOM 487 N ASP A 33 -5.225 14.831 0.741 1.00 0.00 N ATOM 488 CA ASP A 33 -6.043 15.989 0.420 1.00 0.00 C ATOM 489 C ASP A 33 -7.504 15.585 0.293 1.00 0.00 C ATOM 490 O ASP A 33 -7.814 14.476 -0.142 1.00 0.00 O ATOM 491 CB ASP A 33 -5.572 16.638 -0.878 1.00 0.00 C ATOM 492 CG ASP A 33 -6.252 17.967 -1.139 1.00 0.00 C ATOM 493 OD1 ASP A 33 -7.354 17.973 -1.728 1.00 0.00 O ATOM 494 OD2 ASP A 33 -5.688 19.015 -0.749 1.00 0.00 O ATOM 0 H ASP A 33 -5.347 14.042 0.106 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.942 16.712 1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.493 16.787 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.768 15.963 -1.711 1.00 0.00 H new ATOM 499 N ALA A 34 -8.396 16.489 0.667 1.00 0.00 N ATOM 500 CA ALA A 34 -9.826 16.222 0.623 1.00 0.00 C ATOM 501 C ALA A 34 -10.593 17.506 0.338 1.00 0.00 C ATOM 502 O ALA A 34 -11.741 17.665 0.758 1.00 0.00 O ATOM 503 CB ALA A 34 -10.285 15.605 1.938 1.00 0.00 C ATOM 0 H ALA A 34 -8.153 17.420 1.006 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.028 15.514 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.356 15.409 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.752 14.669 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.075 16.294 2.756 1.00 0.00 H new ATOM 509 N VAL A 35 -9.957 18.423 -0.384 1.00 0.00 N ATOM 510 CA VAL A 35 -10.567 19.713 -0.680 1.00 0.00 C ATOM 511 C VAL A 35 -11.695 19.562 -1.696 1.00 0.00 C ATOM 512 O VAL A 35 -12.829 19.966 -1.440 1.00 0.00 O ATOM 513 CB VAL A 35 -9.525 20.727 -1.203 1.00 0.00 C ATOM 514 CG1 VAL A 35 -10.173 22.073 -1.489 1.00 0.00 C ATOM 515 CG2 VAL A 35 -8.389 20.883 -0.205 1.00 0.00 C ATOM 0 H VAL A 35 -9.023 18.297 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.979 20.095 0.254 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.116 20.343 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.419 22.769 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.950 21.950 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.615 22.466 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.664 21.601 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.786 21.241 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.902 19.920 -0.055 1.00 0.00 H new ATOM 525 N LYS A 36 -11.382 18.980 -2.845 1.00 0.00 N ATOM 526 CA LYS A 36 -12.385 18.722 -3.869 1.00 0.00 C ATOM 527 C LYS A 36 -13.039 17.369 -3.630 1.00 0.00 C ATOM 528 O LYS A 36 -14.219 17.279 -3.281 1.00 0.00 O ATOM 529 CB LYS A 36 -11.751 18.742 -5.262 1.00 0.00 C ATOM 530 CG LYS A 36 -11.538 20.130 -5.850 1.00 0.00 C ATOM 531 CD LYS A 36 -10.577 20.976 -5.032 1.00 0.00 C ATOM 532 CE LYS A 36 -10.358 22.337 -5.676 1.00 0.00 C ATOM 533 NZ LYS A 36 -11.621 23.113 -5.794 1.00 0.00 N ATOM 0 H LYS A 36 -10.440 18.677 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.140 19.506 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.789 18.232 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.382 18.169 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.155 20.034 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.498 20.642 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.971 21.107 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.623 20.458 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.639 22.905 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.922 22.203 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.401 24.098 -6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.219 22.692 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.127 23.092 -4.886 1.00 0.00 H new ATOM 547 N ASN A 37 -12.248 16.324 -3.805 1.00 0.00 N ATOM 548 CA ASN A 37 -12.707 14.958 -3.640 1.00 0.00 C ATOM 549 C ASN A 37 -11.710 14.191 -2.792 1.00 0.00 C ATOM 550 O ASN A 37 -10.518 14.502 -2.799 1.00 0.00 O ATOM 551 CB ASN A 37 -12.858 14.261 -4.999 1.00 0.00 C ATOM 552 CG ASN A 37 -14.001 14.800 -5.841 1.00 0.00 C ATOM 553 OD1 ASN A 37 -15.114 15.141 -5.207 1.00 0.00 O flip ATOM 554 ND2 ASN A 37 -13.893 14.876 -7.065 1.00 0.00 N flip ATOM 0 H ASN A 37 -11.265 16.401 -4.067 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.681 14.978 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.927 14.367 -5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -13.012 13.194 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.020 14.604 -7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.676 15.211 -7.626 1.00 0.00 H new ATOM 561 N LYS A 38 -12.188 13.202 -2.061 1.00 0.00 N ATOM 562 CA LYS A 38 -11.307 12.380 -1.252 1.00 0.00 C ATOM 563 C LYS A 38 -11.333 10.939 -1.739 1.00 0.00 C ATOM 564 O LYS A 38 -12.234 10.169 -1.398 1.00 0.00 O ATOM 565 CB LYS A 38 -11.702 12.434 0.221 1.00 0.00 C ATOM 566 CG LYS A 38 -10.702 11.738 1.132 1.00 0.00 C ATOM 567 CD LYS A 38 -11.248 11.581 2.538 1.00 0.00 C ATOM 568 CE LYS A 38 -12.466 10.670 2.562 1.00 0.00 C ATOM 569 NZ LYS A 38 -12.974 10.465 3.942 1.00 0.00 N ATOM 0 H LYS A 38 -13.175 12.949 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.296 12.775 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.800 13.476 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.681 11.972 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.457 10.757 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.775 12.311 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.473 11.173 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.516 12.559 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.254 11.101 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.208 9.706 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.804 9.839 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.230 10.031 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.244 11.382 4.352 1.00 0.00 H new ATOM 583 N TRP A 39 -10.355 10.585 -2.553 1.00 0.00 N ATOM 584 CA TRP A 39 -10.224 9.220 -3.032 1.00 0.00 C ATOM 585 C TRP A 39 -9.116 8.508 -2.262 1.00 0.00 C ATOM 586 O TRP A 39 -8.494 9.095 -1.375 1.00 0.00 O ATOM 587 CB TRP A 39 -9.963 9.191 -4.549 1.00 0.00 C ATOM 588 CG TRP A 39 -8.758 9.973 -4.992 1.00 0.00 C ATOM 589 CD1 TRP A 39 -7.492 9.493 -5.159 1.00 0.00 C ATOM 590 CD2 TRP A 39 -8.710 11.361 -5.343 1.00 0.00 C ATOM 591 NE1 TRP A 39 -6.659 10.496 -5.587 1.00 0.00 N ATOM 592 CE2 TRP A 39 -7.382 11.652 -5.706 1.00 0.00 C ATOM 593 CE3 TRP A 39 -9.659 12.386 -5.383 1.00 0.00 C ATOM 594 CZ2 TRP A 39 -6.980 12.925 -6.099 1.00 0.00 C ATOM 595 CZ3 TRP A 39 -9.259 13.649 -5.778 1.00 0.00 C ATOM 596 CH2 TRP A 39 -7.929 13.908 -6.131 1.00 0.00 C ATOM 0 H TRP A 39 -9.639 11.224 -2.897 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.161 8.692 -2.857 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -9.843 8.154 -4.864 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -10.842 9.581 -5.063 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.189 8.472 -4.980 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -5.663 10.396 -5.784 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -10.686 12.195 -5.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.954 13.129 -6.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.984 14.449 -5.815 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.647 14.905 -6.435 1.00 0.00 H new ATOM 607 N SER A 40 -8.897 7.243 -2.570 1.00 0.00 N ATOM 608 CA SER A 40 -7.877 6.460 -1.891 1.00 0.00 C ATOM 609 C SER A 40 -6.613 6.384 -2.737 1.00 0.00 C ATOM 610 O SER A 40 -6.510 7.057 -3.761 1.00 0.00 O ATOM 611 CB SER A 40 -8.409 5.060 -1.610 1.00 0.00 C ATOM 612 OG SER A 40 -9.689 5.116 -1.002 1.00 0.00 O ATOM 0 H SER A 40 -9.412 6.733 -3.288 1.00 0.00 H new ATOM 0 HA SER A 40 -7.629 6.945 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.469 4.496 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.716 4.527 -0.959 1.00 0.00 H new ATOM 0 HG SER A 40 -9.608 4.904 -0.049 1.00 0.00 H new ATOM 618 N SER A 41 -5.654 5.578 -2.303 1.00 0.00 N ATOM 619 CA SER A 41 -4.441 5.359 -3.053 1.00 0.00 C ATOM 620 C SER A 41 -4.777 4.891 -4.466 1.00 0.00 C ATOM 621 O SER A 41 -5.677 4.073 -4.656 1.00 0.00 O ATOM 622 CB SER A 41 -3.607 4.314 -2.328 1.00 0.00 C ATOM 623 OG SER A 41 -3.819 4.398 -0.931 1.00 0.00 O ATOM 0 H SER A 41 -5.701 5.063 -1.424 1.00 0.00 H new ATOM 0 HA SER A 41 -3.876 6.288 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.871 3.318 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.551 4.463 -2.552 1.00 0.00 H new ATOM 0 HG SER A 41 -3.058 4.852 -0.511 1.00 0.00 H new ATOM 629 N ARG A 42 -4.059 5.418 -5.452 1.00 0.00 N ATOM 630 CA ARG A 42 -4.336 5.117 -6.855 1.00 0.00 C ATOM 631 C ARG A 42 -4.314 3.610 -7.133 1.00 0.00 C ATOM 632 O ARG A 42 -5.025 3.123 -8.010 1.00 0.00 O ATOM 633 CB ARG A 42 -3.317 5.824 -7.751 1.00 0.00 C ATOM 634 CG ARG A 42 -3.584 5.644 -9.235 1.00 0.00 C ATOM 635 CD ARG A 42 -4.916 6.257 -9.637 1.00 0.00 C ATOM 636 NE ARG A 42 -5.244 5.998 -11.038 1.00 0.00 N ATOM 637 CZ ARG A 42 -6.458 5.659 -11.469 1.00 0.00 C ATOM 638 NH1 ARG A 42 -7.470 5.539 -10.619 1.00 0.00 N ATOM 639 NH2 ARG A 42 -6.659 5.444 -12.763 1.00 0.00 N ATOM 0 H ARG A 42 -3.278 6.058 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.339 5.481 -7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.317 6.889 -7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.320 5.447 -7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.781 6.106 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.582 4.582 -9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.705 5.856 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.885 7.333 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.497 6.082 -11.728 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.323 5.707 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.395 5.279 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.886 5.539 -13.422 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.586 5.184 -13.099 1.00 0.00 H new ATOM 653 N TYR A 43 -3.499 2.883 -6.384 1.00 0.00 N ATOM 654 CA TYR A 43 -3.353 1.441 -6.581 1.00 0.00 C ATOM 655 C TYR A 43 -4.380 0.641 -5.767 1.00 0.00 C ATOM 656 O TYR A 43 -4.405 -0.586 -5.838 1.00 0.00 O ATOM 657 CB TYR A 43 -1.933 0.997 -6.202 1.00 0.00 C ATOM 658 CG TYR A 43 -0.836 1.789 -6.883 1.00 0.00 C ATOM 659 CD1 TYR A 43 -0.488 1.538 -8.204 1.00 0.00 C ATOM 660 CD2 TYR A 43 -0.145 2.782 -6.199 1.00 0.00 C ATOM 661 CE1 TYR A 43 0.518 2.255 -8.824 1.00 0.00 C ATOM 662 CE2 TYR A 43 0.860 3.502 -6.813 1.00 0.00 C ATOM 663 CZ TYR A 43 1.189 3.236 -8.125 1.00 0.00 C ATOM 664 OH TYR A 43 2.191 3.949 -8.739 1.00 0.00 O ATOM 0 H TYR A 43 -2.926 3.265 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.534 1.238 -7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.813 1.084 -5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.814 -0.057 -6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.011 0.771 -8.755 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.398 2.994 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.777 2.048 -9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.387 4.271 -6.267 1.00 0.00 H new ATOM 0 HH TYR A 43 2.561 4.602 -8.109 1.00 0.00 H new ATOM 674 N LEU A 44 -5.230 1.329 -5.004 1.00 0.00 N ATOM 675 CA LEU A 44 -6.215 0.650 -4.159 1.00 0.00 C ATOM 676 C LEU A 44 -7.404 1.567 -3.864 1.00 0.00 C ATOM 677 O LEU A 44 -7.412 2.285 -2.862 1.00 0.00 O ATOM 678 CB LEU A 44 -5.574 0.186 -2.846 1.00 0.00 C ATOM 679 CG LEU A 44 -6.424 -0.787 -2.021 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.533 -2.130 -2.728 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.844 -0.963 -0.627 1.00 0.00 C ATOM 0 H LEU A 44 -5.257 2.347 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.575 -0.224 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.620 -0.290 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.356 1.062 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.425 -0.366 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.140 -2.809 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.000 -1.991 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.537 -2.554 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.464 -1.658 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.831 -1.358 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.821 0.001 -0.118 1.00 0.00 H new ATOM 693 N PRO A 45 -8.412 1.579 -4.751 1.00 0.00 N ATOM 694 CA PRO A 45 -9.559 2.472 -4.617 1.00 0.00 C ATOM 695 C PRO A 45 -10.594 2.002 -3.591 1.00 0.00 C ATOM 696 O PRO A 45 -11.378 1.089 -3.857 1.00 0.00 O ATOM 697 CB PRO A 45 -10.157 2.488 -6.022 1.00 0.00 C ATOM 698 CG PRO A 45 -9.781 1.174 -6.622 1.00 0.00 C ATOM 699 CD PRO A 45 -8.502 0.732 -5.954 1.00 0.00 C ATOM 0 HA PRO A 45 -9.255 3.452 -4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.240 2.610 -5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.761 3.317 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.571 0.439 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.641 1.268 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.533 -0.326 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.641 0.875 -6.607 1.00 0.00 H new ATOM 707 N TYR A 46 -10.543 2.627 -2.408 1.00 0.00 N ATOM 708 CA TYR A 46 -11.523 2.461 -1.334 1.00 0.00 C ATOM 709 C TYR A 46 -11.963 1.011 -1.108 1.00 0.00 C ATOM 710 O TYR A 46 -13.141 0.667 -1.216 1.00 0.00 O ATOM 711 CB TYR A 46 -12.722 3.412 -1.505 1.00 0.00 C ATOM 712 CG TYR A 46 -13.391 3.409 -2.867 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.390 2.494 -3.172 1.00 0.00 C ATOM 714 CD2 TYR A 46 -13.033 4.338 -3.838 1.00 0.00 C ATOM 715 CE1 TYR A 46 -15.009 2.500 -4.404 1.00 0.00 C ATOM 716 CE2 TYR A 46 -13.652 4.353 -5.073 1.00 0.00 C ATOM 717 CZ TYR A 46 -14.639 3.431 -5.351 1.00 0.00 C ATOM 718 OH TYR A 46 -15.265 3.441 -6.577 1.00 0.00 O ATOM 0 H TYR A 46 -9.797 3.280 -2.168 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.003 2.744 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -13.471 3.157 -0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.388 4.427 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -14.687 1.766 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.259 5.059 -3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -15.781 1.778 -4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.365 5.082 -5.816 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.890 4.158 -7.130 1.00 0.00 H new ATOM 728 N THR A 47 -11.001 0.164 -0.799 1.00 0.00 N ATOM 729 CA THR A 47 -11.292 -1.195 -0.376 1.00 0.00 C ATOM 730 C THR A 47 -11.473 -1.206 1.145 1.00 0.00 C ATOM 731 O THR A 47 -11.330 -0.163 1.790 1.00 0.00 O ATOM 732 CB THR A 47 -10.153 -2.136 -0.800 1.00 0.00 C ATOM 733 OG1 THR A 47 -9.697 -1.755 -2.103 1.00 0.00 O ATOM 734 CG2 THR A 47 -10.600 -3.590 -0.840 1.00 0.00 C ATOM 0 H THR A 47 -10.007 0.392 -0.833 1.00 0.00 H new ATOM 0 HA THR A 47 -12.208 -1.547 -0.850 1.00 0.00 H new ATOM 0 HB THR A 47 -9.354 -2.050 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.360 -2.545 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.764 -4.219 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.941 -3.893 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.416 -3.700 -1.554 1.00 0.00 H new ATOM 742 N GLN A 48 -11.802 -2.352 1.721 1.00 0.00 N ATOM 743 CA GLN A 48 -11.984 -2.436 3.162 1.00 0.00 C ATOM 744 C GLN A 48 -10.635 -2.442 3.873 1.00 0.00 C ATOM 745 O GLN A 48 -10.003 -3.486 4.033 1.00 0.00 O ATOM 746 CB GLN A 48 -12.803 -3.673 3.548 1.00 0.00 C ATOM 747 CG GLN A 48 -12.978 -3.841 5.050 1.00 0.00 C ATOM 748 CD GLN A 48 -13.898 -4.989 5.413 1.00 0.00 C ATOM 749 OE1 GLN A 48 -14.024 -5.966 4.674 1.00 0.00 O ATOM 750 NE2 GLN A 48 -14.537 -4.886 6.566 1.00 0.00 N ATOM 0 H GLN A 48 -11.947 -3.228 1.219 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.540 -1.555 3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.786 -3.609 3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.316 -4.561 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.003 -4.005 5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.376 -2.917 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.406 -4.060 7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.161 -5.633 6.872 1.00 0.00 H new ATOM 759 N TYR A 49 -10.186 -1.259 4.266 1.00 0.00 N ATOM 760 CA TYR A 49 -8.974 -1.123 5.048 1.00 0.00 C ATOM 761 C TYR A 49 -9.252 -0.262 6.272 1.00 0.00 C ATOM 762 O TYR A 49 -10.157 0.573 6.259 1.00 0.00 O ATOM 763 CB TYR A 49 -7.827 -0.530 4.213 1.00 0.00 C ATOM 764 CG TYR A 49 -8.143 0.789 3.534 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.143 1.985 4.247 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.427 0.839 2.176 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.419 3.187 3.625 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.704 2.037 1.547 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.698 3.209 2.276 1.00 0.00 C ATOM 770 OH TYR A 49 -8.967 4.408 1.652 1.00 0.00 O ATOM 0 H TYR A 49 -10.649 -0.376 4.052 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.658 -2.115 5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.961 -0.390 4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.541 -1.254 3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.923 1.973 5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.431 -0.075 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.416 4.105 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.924 2.057 0.490 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.485 5.129 2.108 1.00 0.00 H new ATOM 780 N ASP A 50 -8.487 -0.482 7.323 1.00 0.00 N ATOM 781 CA ASP A 50 -8.681 0.230 8.583 1.00 0.00 C ATOM 782 C ASP A 50 -8.075 1.628 8.531 1.00 0.00 C ATOM 783 O ASP A 50 -8.683 2.599 8.980 1.00 0.00 O ATOM 784 CB ASP A 50 -8.049 -0.560 9.727 1.00 0.00 C ATOM 785 CG ASP A 50 -8.225 0.117 11.070 1.00 0.00 C ATOM 786 OD1 ASP A 50 -7.370 0.954 11.437 1.00 0.00 O ATOM 787 OD2 ASP A 50 -9.210 -0.203 11.770 1.00 0.00 O ATOM 0 H ASP A 50 -7.718 -1.152 7.335 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.753 0.330 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.493 -1.555 9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.986 -0.693 9.528 1.00 0.00 H new ATOM 792 N SER A 51 -6.881 1.713 7.967 1.00 0.00 N ATOM 793 CA SER A 51 -6.112 2.946 7.943 1.00 0.00 C ATOM 794 C SER A 51 -4.902 2.773 7.030 1.00 0.00 C ATOM 795 O SER A 51 -4.840 1.806 6.277 1.00 0.00 O ATOM 796 CB SER A 51 -5.685 3.318 9.367 1.00 0.00 C ATOM 797 OG SER A 51 -5.229 2.175 10.076 1.00 0.00 O ATOM 0 H SER A 51 -6.417 0.927 7.512 1.00 0.00 H new ATOM 0 HA SER A 51 -6.725 3.758 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.894 4.067 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.525 3.768 9.897 1.00 0.00 H new ATOM 0 HG SER A 51 -5.982 1.760 10.546 1.00 0.00 H new ATOM 803 N LEU A 52 -3.942 3.691 7.105 1.00 0.00 N ATOM 804 CA LEU A 52 -2.782 3.670 6.210 1.00 0.00 C ATOM 805 C LEU A 52 -1.949 2.400 6.386 1.00 0.00 C ATOM 806 O LEU A 52 -1.607 1.737 5.405 1.00 0.00 O ATOM 807 CB LEU A 52 -1.899 4.905 6.424 1.00 0.00 C ATOM 808 CG LEU A 52 -2.432 6.217 5.835 1.00 0.00 C ATOM 809 CD1 LEU A 52 -3.623 6.737 6.628 1.00 0.00 C ATOM 810 CD2 LEU A 52 -1.326 7.257 5.788 1.00 0.00 C ATOM 0 H LEU A 52 -3.942 4.460 7.775 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.169 3.683 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.753 5.043 7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.918 4.706 5.992 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.773 6.018 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.977 7.668 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.424 5.998 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.322 6.918 7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.716 8.184 5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.958 7.442 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.509 6.892 5.165 1.00 0.00 H new ATOM 822 N LEU A 53 -1.633 2.063 7.631 1.00 0.00 N ATOM 823 CA LEU A 53 -0.832 0.876 7.930 1.00 0.00 C ATOM 824 C LEU A 53 -1.549 -0.382 7.433 1.00 0.00 C ATOM 825 O LEU A 53 -0.935 -1.283 6.858 1.00 0.00 O ATOM 826 CB LEU A 53 -0.575 0.802 9.446 1.00 0.00 C ATOM 827 CG LEU A 53 0.532 -0.163 9.913 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.066 -1.612 9.875 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.786 0.011 9.068 1.00 0.00 C ATOM 0 H LEU A 53 -1.919 2.595 8.453 1.00 0.00 H new ATOM 0 HA LEU A 53 0.127 0.942 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.325 1.803 9.798 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.506 0.515 9.935 1.00 0.00 H new ATOM 0 HG LEU A 53 0.767 0.085 10.948 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.873 -2.263 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.796 -1.734 10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.214 -1.878 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.556 -0.679 9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.553 -0.198 8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.148 1.035 9.161 1.00 0.00 H new ATOM 841 N ASP A 54 -2.855 -0.414 7.643 1.00 0.00 N ATOM 842 CA ASP A 54 -3.679 -1.549 7.245 1.00 0.00 C ATOM 843 C ASP A 54 -3.813 -1.606 5.720 1.00 0.00 C ATOM 844 O ASP A 54 -3.814 -2.682 5.124 1.00 0.00 O ATOM 845 CB ASP A 54 -5.054 -1.428 7.906 1.00 0.00 C ATOM 846 CG ASP A 54 -5.938 -2.637 7.690 1.00 0.00 C ATOM 847 OD1 ASP A 54 -5.773 -3.639 8.422 1.00 0.00 O ATOM 848 OD2 ASP A 54 -6.816 -2.578 6.816 1.00 0.00 O ATOM 0 H ASP A 54 -3.374 0.341 8.092 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.205 -2.474 7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.921 -1.272 8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.559 -0.544 7.516 1.00 0.00 H new ATOM 853 N LEU A 55 -3.883 -0.429 5.106 1.00 0.00 N ATOM 854 CA LEU A 55 -4.033 -0.297 3.658 1.00 0.00 C ATOM 855 C LEU A 55 -2.838 -0.901 2.928 1.00 0.00 C ATOM 856 O LEU A 55 -3.003 -1.658 1.967 1.00 0.00 O ATOM 857 CB LEU A 55 -4.200 1.191 3.301 1.00 0.00 C ATOM 858 CG LEU A 55 -4.546 1.520 1.843 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.200 2.892 1.756 1.00 0.00 C ATOM 860 CD2 LEU A 55 -3.307 1.500 0.969 1.00 0.00 C ATOM 0 H LEU A 55 -3.837 0.463 5.598 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.920 -0.845 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.981 1.607 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.274 1.707 3.555 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.239 0.759 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.441 3.115 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.114 2.898 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.514 3.647 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.583 1.737 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.593 2.239 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.853 0.510 1.004 1.00 0.00 H new ATOM 872 N ALA A 56 -1.635 -0.573 3.391 1.00 0.00 N ATOM 873 CA ALA A 56 -0.413 -1.068 2.769 1.00 0.00 C ATOM 874 C ALA A 56 -0.388 -2.596 2.723 1.00 0.00 C ATOM 875 O ALA A 56 0.018 -3.189 1.726 1.00 0.00 O ATOM 876 CB ALA A 56 0.808 -0.552 3.516 1.00 0.00 C ATOM 0 H ALA A 56 -1.481 0.034 4.196 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.391 -0.698 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.713 -0.930 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.815 0.538 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.773 -0.893 4.551 1.00 0.00 H new ATOM 882 N ARG A 57 -0.840 -3.219 3.804 1.00 0.00 N ATOM 883 CA ARG A 57 -0.887 -4.676 3.895 1.00 0.00 C ATOM 884 C ARG A 57 -1.908 -5.253 2.919 1.00 0.00 C ATOM 885 O ARG A 57 -1.659 -6.279 2.282 1.00 0.00 O ATOM 886 CB ARG A 57 -1.226 -5.102 5.327 1.00 0.00 C ATOM 887 CG ARG A 57 -0.098 -4.885 6.321 1.00 0.00 C ATOM 888 CD ARG A 57 -0.599 -4.991 7.753 1.00 0.00 C ATOM 889 NE ARG A 57 -1.569 -6.072 7.919 1.00 0.00 N ATOM 890 CZ ARG A 57 -2.865 -5.869 8.146 1.00 0.00 C ATOM 891 NH1 ARG A 57 -3.317 -4.635 8.308 1.00 0.00 N ATOM 892 NH2 ARG A 57 -3.699 -6.890 8.229 1.00 0.00 N ATOM 0 H ARG A 57 -1.181 -2.736 4.635 1.00 0.00 H new ATOM 0 HA ARG A 57 0.095 -5.067 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.103 -4.548 5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.497 -6.158 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.686 -5.623 6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.348 -3.903 6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.246 -5.158 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.056 -4.046 8.047 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.235 -7.034 7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.673 -3.845 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.309 -4.474 8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.351 -7.843 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.691 -6.726 8.403 1.00 0.00 H new ATOM 906 N ALA A 58 -3.049 -4.586 2.796 1.00 0.00 N ATOM 907 CA ALA A 58 -4.115 -5.040 1.909 1.00 0.00 C ATOM 908 C ALA A 58 -3.648 -5.071 0.458 1.00 0.00 C ATOM 909 O ALA A 58 -3.975 -5.995 -0.289 1.00 0.00 O ATOM 910 CB ALA A 58 -5.341 -4.149 2.056 1.00 0.00 C ATOM 0 H ALA A 58 -3.261 -3.726 3.301 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.384 -6.057 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.128 -4.500 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.696 -4.186 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.078 -3.123 1.799 1.00 0.00 H new ATOM 916 N ILE A 59 -2.849 -4.080 0.076 1.00 0.00 N ATOM 917 CA ILE A 59 -2.319 -4.011 -1.280 1.00 0.00 C ATOM 918 C ILE A 59 -1.443 -5.220 -1.580 1.00 0.00 C ATOM 919 O ILE A 59 -1.516 -5.796 -2.662 1.00 0.00 O ATOM 920 CB ILE A 59 -1.489 -2.724 -1.506 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.360 -1.479 -1.322 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.865 -2.726 -2.897 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.624 -0.181 -1.579 1.00 0.00 C ATOM 0 H ILE A 59 -2.555 -3.316 0.685 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.176 -4.000 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.690 -2.702 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.215 -1.541 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.754 -1.468 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.286 -1.813 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.210 -3.591 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.653 -2.775 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.303 0.658 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.785 -0.096 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.253 -0.170 -2.604 1.00 0.00 H new ATOM 935 N ILE A 60 -0.637 -5.617 -0.609 1.00 0.00 N ATOM 936 CA ILE A 60 0.331 -6.680 -0.814 1.00 0.00 C ATOM 937 C ILE A 60 -0.339 -8.044 -0.978 1.00 0.00 C ATOM 938 O ILE A 60 -0.006 -8.795 -1.895 1.00 0.00 O ATOM 939 CB ILE A 60 1.359 -6.744 0.336 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.079 -5.404 0.459 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.356 -7.866 0.088 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.081 -5.356 1.587 1.00 0.00 C ATOM 0 H ILE A 60 -0.635 -5.218 0.330 1.00 0.00 H new ATOM 0 HA ILE A 60 0.853 -6.440 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 60 0.838 -6.950 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.590 -5.189 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.340 -4.617 0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.076 -7.901 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.827 -8.817 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.881 -7.685 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.553 -4.374 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.572 -5.539 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.842 -6.120 1.430 1.00 0.00 H new ATOM 954 N ARG A 61 -1.290 -8.366 -0.110 1.00 0.00 N ATOM 955 CA ARG A 61 -1.836 -9.717 -0.103 1.00 0.00 C ATOM 956 C ARG A 61 -2.909 -9.922 -1.173 1.00 0.00 C ATOM 957 O ARG A 61 -2.998 -10.997 -1.765 1.00 0.00 O ATOM 958 CB ARG A 61 -2.388 -10.097 1.268 1.00 0.00 C ATOM 959 CG ARG A 61 -2.751 -11.570 1.354 1.00 0.00 C ATOM 960 CD ARG A 61 -3.069 -12.007 2.768 1.00 0.00 C ATOM 961 NE ARG A 61 -3.239 -13.457 2.841 1.00 0.00 N ATOM 962 CZ ARG A 61 -2.955 -14.191 3.914 1.00 0.00 C ATOM 963 NH1 ARG A 61 -2.574 -13.607 5.043 1.00 0.00 N ATOM 964 NH2 ARG A 61 -3.058 -15.512 3.860 1.00 0.00 N ATOM 0 H ARG A 61 -1.690 -7.730 0.580 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.001 -10.377 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.648 -9.862 2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.271 -9.494 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.611 -11.767 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.924 -12.168 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.267 -11.697 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.978 -11.513 3.110 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.599 -13.937 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.498 -12.591 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.357 -14.174 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.355 -15.965 2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.840 -16.075 4.683 1.00 0.00 H new ATOM 978 N ASP A 62 -3.725 -8.907 -1.428 1.00 0.00 N ATOM 979 CA ASP A 62 -4.824 -9.058 -2.384 1.00 0.00 C ATOM 980 C ASP A 62 -4.368 -8.840 -3.822 1.00 0.00 C ATOM 981 O ASP A 62 -5.182 -8.825 -4.746 1.00 0.00 O ATOM 982 CB ASP A 62 -5.996 -8.134 -2.042 1.00 0.00 C ATOM 983 CG ASP A 62 -6.969 -8.784 -1.076 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.769 -9.644 -1.519 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.944 -8.448 0.125 1.00 0.00 O ATOM 0 H ASP A 62 -3.653 -7.985 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.169 -10.089 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.614 -7.211 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.521 -7.861 -2.957 1.00 0.00 H new ATOM 990 N THR A 63 -3.068 -8.682 -4.010 1.00 0.00 N ATOM 991 CA THR A 63 -2.497 -8.660 -5.345 1.00 0.00 C ATOM 992 C THR A 63 -1.593 -9.871 -5.527 1.00 0.00 C ATOM 993 O THR A 63 -1.392 -10.648 -4.590 1.00 0.00 O ATOM 994 CB THR A 63 -1.692 -7.376 -5.609 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.646 -7.250 -4.641 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.589 -6.144 -5.566 1.00 0.00 C ATOM 0 H THR A 63 -2.390 -8.567 -3.256 1.00 0.00 H new ATOM 0 HA THR A 63 -3.320 -8.687 -6.059 1.00 0.00 H new ATOM 0 HB THR A 63 -1.259 -7.446 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.996 -6.815 -3.836 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.992 -5.252 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.364 -6.231 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.054 -6.067 -4.583 1.00 0.00 H new ATOM 1004 N VAL A 64 -1.045 -10.038 -6.720 1.00 0.00 N ATOM 1005 CA VAL A 64 -0.184 -11.176 -6.992 1.00 0.00 C ATOM 1006 C VAL A 64 1.259 -10.729 -7.249 1.00 0.00 C ATOM 1007 O VAL A 64 2.208 -11.439 -6.921 1.00 0.00 O ATOM 1008 CB VAL A 64 -0.715 -12.003 -8.192 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.758 -11.169 -9.464 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.118 -13.262 -8.399 1.00 0.00 C ATOM 0 H VAL A 64 -1.180 -9.406 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.192 -11.812 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.736 -12.305 -7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.135 -11.778 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.416 -10.313 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.246 -10.818 -9.703 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.276 -13.823 -9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.153 -12.985 -8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.073 -13.880 -7.502 1.00 0.00 H new ATOM 1020 N GLU A 65 1.419 -9.534 -7.802 1.00 0.00 N ATOM 1021 CA GLU A 65 2.734 -9.063 -8.217 1.00 0.00 C ATOM 1022 C GLU A 65 3.511 -8.400 -7.081 1.00 0.00 C ATOM 1023 O GLU A 65 4.738 -8.321 -7.133 1.00 0.00 O ATOM 1024 CB GLU A 65 2.596 -8.099 -9.388 1.00 0.00 C ATOM 1025 CG GLU A 65 2.067 -8.759 -10.649 1.00 0.00 C ATOM 1026 CD GLU A 65 2.004 -7.805 -11.821 1.00 0.00 C ATOM 1027 OE1 GLU A 65 3.075 -7.432 -12.345 1.00 0.00 O ATOM 1028 OE2 GLU A 65 0.886 -7.424 -12.224 1.00 0.00 O ATOM 0 H GLU A 65 0.659 -8.876 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 65 3.305 -9.940 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.928 -7.286 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.568 -7.653 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.705 -9.605 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.071 -9.158 -10.456 1.00 0.00 H new ATOM 1035 N PHE A 66 2.807 -7.925 -6.058 1.00 0.00 N ATOM 1036 CA PHE A 66 3.465 -7.259 -4.933 1.00 0.00 C ATOM 1037 C PHE A 66 4.074 -8.273 -3.966 1.00 0.00 C ATOM 1038 O PHE A 66 4.832 -7.910 -3.065 1.00 0.00 O ATOM 1039 CB PHE A 66 2.494 -6.329 -4.195 1.00 0.00 C ATOM 1040 CG PHE A 66 2.202 -5.054 -4.935 1.00 0.00 C ATOM 1041 CD1 PHE A 66 3.018 -3.946 -4.774 1.00 0.00 C ATOM 1042 CD2 PHE A 66 1.115 -4.962 -5.787 1.00 0.00 C ATOM 1043 CE1 PHE A 66 2.753 -2.770 -5.449 1.00 0.00 C ATOM 1044 CE2 PHE A 66 0.845 -3.789 -6.465 1.00 0.00 C ATOM 1045 CZ PHE A 66 1.665 -2.691 -6.296 1.00 0.00 C ATOM 0 H PHE A 66 1.792 -7.986 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 66 4.274 -6.653 -5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.558 -6.860 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.910 -6.085 -3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.871 -4.002 -4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.470 -5.818 -5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.396 -1.913 -5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.007 -3.731 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.456 -1.773 -6.825 1.00 0.00 H new ATOM 1055 N SER A 67 3.749 -9.540 -4.166 1.00 0.00 N ATOM 1056 CA SER A 67 4.320 -10.606 -3.367 1.00 0.00 C ATOM 1057 C SER A 67 5.430 -11.293 -4.153 1.00 0.00 C ATOM 1058 O SER A 67 5.194 -11.832 -5.238 1.00 0.00 O ATOM 1059 CB SER A 67 3.242 -11.615 -2.974 1.00 0.00 C ATOM 1060 OG SER A 67 3.778 -12.648 -2.169 1.00 0.00 O ATOM 0 H SER A 67 3.090 -9.854 -4.878 1.00 0.00 H new ATOM 0 HA SER A 67 4.738 -10.182 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.444 -11.106 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.797 -12.044 -3.872 1.00 0.00 H new ATOM 0 HG SER A 67 3.518 -12.503 -1.235 1.00 0.00 H new ATOM 1066 N GLY A 68 6.641 -11.250 -3.618 1.00 0.00 N ATOM 1067 CA GLY A 68 7.777 -11.827 -4.306 1.00 0.00 C ATOM 1068 C GLY A 68 8.034 -13.263 -3.895 1.00 0.00 C ATOM 1069 O GLY A 68 8.054 -14.166 -4.734 1.00 0.00 O ATOM 0 H GLY A 68 6.858 -10.824 -2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.606 -11.785 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.665 -11.229 -4.101 1.00 0.00 H new ATOM 1073 N VAL A 69 8.222 -13.482 -2.601 1.00 0.00 N ATOM 1074 CA VAL A 69 8.527 -14.811 -2.095 1.00 0.00 C ATOM 1075 C VAL A 69 7.410 -15.332 -1.187 1.00 0.00 C ATOM 1076 O VAL A 69 7.236 -14.878 -0.054 1.00 0.00 O ATOM 1077 CB VAL A 69 9.892 -14.837 -1.358 1.00 0.00 C ATOM 1078 CG1 VAL A 69 9.973 -13.752 -0.288 1.00 0.00 C ATOM 1079 CG2 VAL A 69 10.157 -16.212 -0.756 1.00 0.00 C ATOM 0 H VAL A 69 8.169 -12.758 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 69 8.598 -15.476 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 69 10.667 -14.630 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.943 -13.801 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.851 -12.773 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.183 -13.906 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.120 -16.206 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.369 -16.455 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.172 -16.960 -1.549 1.00 0.00 H new ATOM 1089 N LYS A 70 6.637 -16.272 -1.709 1.00 0.00 N ATOM 1090 CA LYS A 70 5.581 -16.910 -0.936 1.00 0.00 C ATOM 1091 C LYS A 70 6.068 -18.230 -0.349 1.00 0.00 C ATOM 1092 O LYS A 70 7.255 -18.563 -0.459 1.00 0.00 O ATOM 1093 CB LYS A 70 4.346 -17.152 -1.806 1.00 0.00 C ATOM 1094 CG LYS A 70 3.563 -15.890 -2.128 1.00 0.00 C ATOM 1095 CD LYS A 70 2.330 -16.208 -2.953 1.00 0.00 C ATOM 1096 CE LYS A 70 1.437 -14.987 -3.123 1.00 0.00 C ATOM 1097 NZ LYS A 70 0.251 -15.282 -3.973 1.00 0.00 N ATOM 0 H LYS A 70 6.721 -16.611 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 70 5.310 -16.241 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.657 -17.623 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.688 -17.856 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.268 -15.395 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.199 -15.193 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.633 -16.577 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.766 -17.007 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.105 -14.641 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.012 -14.176 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.332 -14.426 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.567 -15.588 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.312 -16.038 -3.534 1.00 0.00 H new ATOM 1111 N GLU A 71 5.146 -18.961 0.282 1.00 0.00 N ATOM 1112 CA GLU A 71 5.415 -20.273 0.879 1.00 0.00 C ATOM 1113 C GLU A 71 6.210 -20.131 2.178 1.00 0.00 C ATOM 1114 O GLU A 71 5.793 -20.619 3.229 1.00 0.00 O ATOM 1115 CB GLU A 71 6.149 -21.188 -0.108 1.00 0.00 C ATOM 1116 CG GLU A 71 6.055 -22.662 0.243 1.00 0.00 C ATOM 1117 CD GLU A 71 4.629 -23.171 0.203 1.00 0.00 C ATOM 1118 OE1 GLU A 71 4.035 -23.200 -0.896 1.00 0.00 O ATOM 1119 OE2 GLU A 71 4.093 -23.539 1.269 1.00 0.00 O ATOM 0 H GLU A 71 4.179 -18.655 0.395 1.00 0.00 H new ATOM 0 HA GLU A 71 4.456 -20.733 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.739 -21.034 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.199 -20.899 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.664 -23.239 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.469 -22.824 1.238 1.00 0.00 H new ATOM 1126 N GLY A 72 7.345 -19.447 2.101 1.00 0.00 N ATOM 1127 CA GLY A 72 8.164 -19.220 3.278 1.00 0.00 C ATOM 1128 C GLY A 72 7.690 -18.026 4.085 1.00 0.00 C ATOM 1129 O GLY A 72 8.264 -17.703 5.127 1.00 0.00 O ATOM 0 H GLY A 72 7.715 -19.043 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.148 -20.110 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.199 -19.063 2.974 1.00 0.00 H new ATOM 1133 N SER A 73 6.651 -17.366 3.591 1.00 0.00 N ATOM 1134 CA SER A 73 6.055 -16.231 4.276 1.00 0.00 C ATOM 1135 C SER A 73 4.535 -16.385 4.294 1.00 0.00 C ATOM 1136 O SER A 73 3.887 -16.019 3.298 1.00 0.00 O ATOM 1137 CB SER A 73 6.453 -14.923 3.584 1.00 0.00 C ATOM 1138 OG SER A 73 7.865 -14.792 3.501 1.00 0.00 O ATOM 1139 OXT SER A 73 4.001 -16.905 5.301 1.00 0.00 O ATOM 0 H SER A 73 6.200 -17.603 2.707 1.00 0.00 H new ATOM 0 HA SER A 73 6.421 -16.199 5.302 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.023 -14.894 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.039 -14.078 4.134 1.00 0.00 H new ATOM 0 HG SER A 73 8.090 -13.949 3.054 1.00 0.00 H new TER 1145 SER A 73