USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 531 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 39 TYR OH : rot 13:sc= -2.38! USER MOD Set 1.2: A 49 ASN : amide:sc= -8.61! C(o=-11!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -138:sc= 0.26 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -150:sc= -0.0284 (180deg=-0.0338) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 107:sc= 0.0624 USER MOD Single : A 19 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.331 (180deg=-1.08) USER MOD Single : A 35 CYS SG : rot 134:sc= -0.837 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.011) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0724 USER MOD Single : A 45 GLN : amide:sc= -2.89 K(o=-2.9,f=-8.2!) USER MOD Single : A 48 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.25 K(o=-1.2,f=-1.8) USER MOD Single : A 65 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.1!) USER MOD Single : A 70 MET CE :methyl 156:sc= -0.0542 (180deg=-0.351) USER MOD Single : A 71 ASN : amide:sc= -0.95 K(o=-0.95,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.088 0.534 23.752 1.00 0.00 N ATOM 2 CA GLY A 1 -6.340 0.534 22.506 1.00 0.00 C ATOM 3 C GLY A 1 -7.280 0.449 21.302 1.00 0.00 C ATOM 4 O GLY A 1 -7.686 -0.641 20.903 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.428 0.592 24.553 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.730 1.352 23.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.643 -0.343 23.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.738 1.440 22.439 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.649 -0.309 22.493 1.00 0.00 H new ATOM 8 N SER A 2 -7.598 1.614 20.757 1.00 0.00 N ATOM 9 CA SER A 2 -8.482 1.684 19.606 1.00 0.00 C ATOM 10 C SER A 2 -8.568 3.126 19.099 1.00 0.00 C ATOM 11 O SER A 2 -9.408 3.899 19.556 1.00 0.00 O ATOM 12 CB SER A 2 -9.878 1.160 19.950 1.00 0.00 C ATOM 13 OG SER A 2 -10.588 0.732 18.792 1.00 0.00 O ATOM 0 H SER A 2 -7.260 2.516 21.091 1.00 0.00 H new ATOM 0 HA SER A 2 -8.069 1.052 18.820 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.791 0.329 20.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.445 1.943 20.454 1.00 0.00 H new ATOM 0 HG SER A 2 -11.473 0.403 19.054 1.00 0.00 H new ATOM 19 N SER A 3 -7.687 3.443 18.162 1.00 0.00 N ATOM 20 CA SER A 3 -7.652 4.777 17.588 1.00 0.00 C ATOM 21 C SER A 3 -8.796 4.947 16.587 1.00 0.00 C ATOM 22 O SER A 3 -9.043 4.065 15.766 1.00 0.00 O ATOM 23 CB SER A 3 -6.308 5.050 16.909 1.00 0.00 C ATOM 24 OG SER A 3 -5.955 4.019 15.991 1.00 0.00 O ATOM 0 H SER A 3 -6.992 2.799 17.786 1.00 0.00 H new ATOM 0 HA SER A 3 -7.774 5.499 18.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.355 6.004 16.383 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.531 5.142 17.667 1.00 0.00 H new ATOM 0 HG SER A 3 -5.092 4.231 15.577 1.00 0.00 H new ATOM 30 N GLY A 4 -9.465 6.086 16.689 1.00 0.00 N ATOM 31 CA GLY A 4 -10.578 6.382 15.803 1.00 0.00 C ATOM 32 C GLY A 4 -10.286 7.619 14.950 1.00 0.00 C ATOM 33 O GLY A 4 -9.908 8.664 15.476 1.00 0.00 O ATOM 0 H GLY A 4 -9.258 6.815 17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.770 5.526 15.156 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.481 6.546 16.390 1.00 0.00 H new ATOM 37 N SER A 5 -10.472 7.458 13.648 1.00 0.00 N ATOM 38 CA SER A 5 -10.233 8.548 12.718 1.00 0.00 C ATOM 39 C SER A 5 -11.508 8.851 11.928 1.00 0.00 C ATOM 40 O SER A 5 -12.037 7.980 11.239 1.00 0.00 O ATOM 41 CB SER A 5 -9.084 8.217 11.764 1.00 0.00 C ATOM 42 OG SER A 5 -8.470 9.391 11.239 1.00 0.00 O ATOM 0 H SER A 5 -10.785 6.589 13.215 1.00 0.00 H new ATOM 0 HA SER A 5 -9.950 9.431 13.292 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.337 7.621 12.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.459 7.606 10.943 1.00 0.00 H new ATOM 0 HG SER A 5 -8.285 9.265 10.285 1.00 0.00 H new ATOM 48 N SER A 6 -11.965 10.088 12.054 1.00 0.00 N ATOM 49 CA SER A 6 -13.167 10.516 11.360 1.00 0.00 C ATOM 50 C SER A 6 -12.795 11.233 10.061 1.00 0.00 C ATOM 51 O SER A 6 -12.590 12.446 10.054 1.00 0.00 O ATOM 52 CB SER A 6 -14.019 11.429 12.245 1.00 0.00 C ATOM 53 OG SER A 6 -15.134 11.966 11.540 1.00 0.00 O ATOM 0 H SER A 6 -11.524 10.808 12.627 1.00 0.00 H new ATOM 0 HA SER A 6 -13.757 9.631 11.122 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.373 10.868 13.110 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.403 12.244 12.624 1.00 0.00 H new ATOM 0 HG SER A 6 -15.653 12.542 12.139 1.00 0.00 H new ATOM 59 N GLY A 7 -12.719 10.453 8.992 1.00 0.00 N ATOM 60 CA GLY A 7 -12.375 10.999 7.690 1.00 0.00 C ATOM 61 C GLY A 7 -11.514 10.016 6.894 1.00 0.00 C ATOM 62 O GLY A 7 -12.027 9.045 6.338 1.00 0.00 O ATOM 0 H GLY A 7 -12.890 9.447 9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.285 11.224 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.838 11.939 7.816 1.00 0.00 H new ATOM 66 N MET A 8 -10.221 10.301 6.864 1.00 0.00 N ATOM 67 CA MET A 8 -9.284 9.454 6.145 1.00 0.00 C ATOM 68 C MET A 8 -9.708 9.285 4.685 1.00 0.00 C ATOM 69 O MET A 8 -10.237 8.241 4.305 1.00 0.00 O ATOM 70 CB MET A 8 -9.215 8.082 6.819 1.00 0.00 C ATOM 71 CG MET A 8 -8.234 7.162 6.090 1.00 0.00 C ATOM 72 SD MET A 8 -8.495 5.470 6.592 1.00 0.00 S ATOM 73 CE MET A 8 -9.864 5.039 5.530 1.00 0.00 C ATOM 0 H MET A 8 -9.800 11.107 7.326 1.00 0.00 H new ATOM 0 HA MET A 8 -8.303 9.929 6.167 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.907 8.198 7.858 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.206 7.628 6.830 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.368 7.255 5.012 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.209 7.461 6.311 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.485 4.290 6.022 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.461 5.928 5.327 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.484 4.635 4.592 1.00 0.00 H new ATOM 83 N CYS A 9 -9.459 10.327 3.905 1.00 0.00 N ATOM 84 CA CYS A 9 -9.808 10.307 2.495 1.00 0.00 C ATOM 85 C CYS A 9 -9.272 11.586 1.849 1.00 0.00 C ATOM 86 O CYS A 9 -10.017 12.545 1.651 1.00 0.00 O ATOM 87 CB CYS A 9 -11.316 10.152 2.288 1.00 0.00 C ATOM 88 SG CYS A 9 -11.690 9.994 0.503 1.00 0.00 S ATOM 0 H CYS A 9 -9.020 11.191 4.223 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.351 9.441 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -11.676 9.273 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -11.839 11.014 2.703 1.00 0.00 H new ATOM 0 HG CYS A 9 -12.973 9.861 0.339 1.00 0.00 H new ATOM 94 N GLY A 10 -7.985 11.559 1.539 1.00 0.00 N ATOM 95 CA GLY A 10 -7.340 12.705 0.919 1.00 0.00 C ATOM 96 C GLY A 10 -5.886 12.830 1.377 1.00 0.00 C ATOM 97 O GLY A 10 -4.975 12.352 0.702 1.00 0.00 O ATOM 0 H GLY A 10 -7.371 10.762 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.376 12.604 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.884 13.615 1.173 1.00 0.00 H new ATOM 101 N VAL A 11 -5.712 13.474 2.521 1.00 0.00 N ATOM 102 CA VAL A 11 -4.383 13.668 3.077 1.00 0.00 C ATOM 103 C VAL A 11 -3.920 12.371 3.744 1.00 0.00 C ATOM 104 O VAL A 11 -2.933 11.770 3.322 1.00 0.00 O ATOM 105 CB VAL A 11 -4.385 14.863 4.032 1.00 0.00 C ATOM 106 CG1 VAL A 11 -3.205 14.791 5.003 1.00 0.00 C ATOM 107 CG2 VAL A 11 -4.377 16.183 3.258 1.00 0.00 C ATOM 0 H VAL A 11 -6.469 13.869 3.079 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.669 13.901 2.287 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.304 14.822 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.230 15.652 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.272 13.875 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.271 14.794 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.379 17.017 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.484 16.234 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.263 16.239 2.626 1.00 0.00 H new ATOM 117 N GLU A 12 -4.655 11.977 4.774 1.00 0.00 N ATOM 118 CA GLU A 12 -4.332 10.763 5.503 1.00 0.00 C ATOM 119 C GLU A 12 -3.896 9.662 4.533 1.00 0.00 C ATOM 120 O GLU A 12 -2.800 9.118 4.659 1.00 0.00 O ATOM 121 CB GLU A 12 -5.517 10.304 6.356 1.00 0.00 C ATOM 122 CG GLU A 12 -5.841 11.332 7.441 1.00 0.00 C ATOM 123 CD GLU A 12 -6.149 10.645 8.773 1.00 0.00 C ATOM 124 OE1 GLU A 12 -5.228 9.978 9.293 1.00 0.00 O ATOM 125 OE2 GLU A 12 -7.297 10.802 9.241 1.00 0.00 O ATOM 0 H GLU A 12 -5.473 12.478 5.121 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.502 10.977 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.390 10.153 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.288 9.343 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.999 12.013 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.695 11.935 7.133 1.00 0.00 H new ATOM 132 N LEU A 13 -4.776 9.366 3.589 1.00 0.00 N ATOM 133 CA LEU A 13 -4.496 8.340 2.599 1.00 0.00 C ATOM 134 C LEU A 13 -3.059 8.501 2.097 1.00 0.00 C ATOM 135 O LEU A 13 -2.270 7.559 2.152 1.00 0.00 O ATOM 136 CB LEU A 13 -5.543 8.371 1.484 1.00 0.00 C ATOM 137 CG LEU A 13 -5.793 7.045 0.762 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.148 7.055 0.051 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.646 6.717 -0.196 1.00 0.00 C ATOM 0 H LEU A 13 -5.684 9.819 3.488 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.570 7.349 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.487 8.715 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.237 9.112 0.746 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.826 6.251 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.301 6.101 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.941 7.210 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.168 7.861 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.849 5.770 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.556 7.508 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.715 6.639 0.365 1.00 0.00 H new ATOM 151 N ASP A 14 -2.763 9.701 1.620 1.00 0.00 N ATOM 152 CA ASP A 14 -1.435 9.997 1.110 1.00 0.00 C ATOM 153 C ASP A 14 -0.392 9.600 2.156 1.00 0.00 C ATOM 154 O ASP A 14 0.568 8.897 1.844 1.00 0.00 O ATOM 155 CB ASP A 14 -1.275 11.492 0.826 1.00 0.00 C ATOM 156 CG ASP A 14 0.060 11.890 0.194 1.00 0.00 C ATOM 157 OD1 ASP A 14 1.099 11.517 0.779 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.011 12.559 -0.861 1.00 0.00 O ATOM 0 H ASP A 14 -3.420 10.480 1.576 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.296 9.437 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.082 11.809 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.395 12.039 1.761 1.00 0.00 H new ATOM 163 N SER A 15 -0.615 10.068 3.375 1.00 0.00 N ATOM 164 CA SER A 15 0.295 9.770 4.469 1.00 0.00 C ATOM 165 C SER A 15 0.622 8.276 4.485 1.00 0.00 C ATOM 166 O SER A 15 1.787 7.891 4.402 1.00 0.00 O ATOM 167 CB SER A 15 -0.300 10.198 5.812 1.00 0.00 C ATOM 168 OG SER A 15 0.710 10.517 6.765 1.00 0.00 O ATOM 0 H SER A 15 -1.412 10.651 3.630 1.00 0.00 H new ATOM 0 HA SER A 15 1.214 10.335 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.945 11.064 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.927 9.397 6.203 1.00 0.00 H new ATOM 0 HG SER A 15 0.290 10.787 7.608 1.00 0.00 H new ATOM 174 N LEU A 16 -0.427 7.474 4.594 1.00 0.00 N ATOM 175 CA LEU A 16 -0.266 6.030 4.623 1.00 0.00 C ATOM 176 C LEU A 16 0.719 5.609 3.531 1.00 0.00 C ATOM 177 O LEU A 16 1.785 5.070 3.825 1.00 0.00 O ATOM 178 CB LEU A 16 -1.627 5.337 4.524 1.00 0.00 C ATOM 179 CG LEU A 16 -2.608 5.621 5.663 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.940 4.905 5.430 1.00 0.00 C ATOM 181 CD2 LEU A 16 -1.995 5.263 7.018 1.00 0.00 C ATOM 0 H LEU A 16 -1.392 7.797 4.663 1.00 0.00 H new ATOM 0 HA LEU A 16 0.159 5.713 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.096 5.632 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.462 4.261 4.473 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.815 6.691 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.619 5.123 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.380 5.251 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.770 3.830 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.714 5.475 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.740 4.203 7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.094 5.855 7.178 1.00 0.00 H new ATOM 193 N ILE A 17 0.328 5.872 2.293 1.00 0.00 N ATOM 194 CA ILE A 17 1.164 5.527 1.155 1.00 0.00 C ATOM 195 C ILE A 17 2.620 5.867 1.476 1.00 0.00 C ATOM 196 O ILE A 17 3.449 4.973 1.636 1.00 0.00 O ATOM 197 CB ILE A 17 0.641 6.199 -0.117 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.757 5.689 -0.471 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.626 6.023 -1.274 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.372 6.515 -1.603 1.00 0.00 C ATOM 0 H ILE A 17 -0.556 6.320 2.053 1.00 0.00 H new ATOM 0 HA ILE A 17 1.122 4.455 0.962 1.00 0.00 H new ATOM 0 HB ILE A 17 0.555 7.269 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.701 4.642 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.399 5.736 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.231 6.510 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.583 6.473 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.768 4.961 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.366 6.131 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.449 7.557 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.740 6.446 -2.489 1.00 0.00 H new ATOM 212 N SER A 18 2.888 7.162 1.560 1.00 0.00 N ATOM 213 CA SER A 18 4.230 7.631 1.859 1.00 0.00 C ATOM 214 C SER A 18 4.862 6.754 2.941 1.00 0.00 C ATOM 215 O SER A 18 5.994 6.297 2.792 1.00 0.00 O ATOM 216 CB SER A 18 4.216 9.095 2.304 1.00 0.00 C ATOM 217 OG SER A 18 3.759 9.963 1.270 1.00 0.00 O ATOM 0 H SER A 18 2.198 7.901 1.426 1.00 0.00 H new ATOM 0 HA SER A 18 4.827 7.562 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.573 9.202 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.220 9.391 2.609 1.00 0.00 H new ATOM 0 HG SER A 18 2.853 10.272 1.479 1.00 0.00 H new ATOM 223 N GLN A 19 4.103 6.545 4.007 1.00 0.00 N ATOM 224 CA GLN A 19 4.575 5.730 5.114 1.00 0.00 C ATOM 225 C GLN A 19 5.232 4.452 4.589 1.00 0.00 C ATOM 226 O GLN A 19 6.413 4.212 4.832 1.00 0.00 O ATOM 227 CB GLN A 19 3.434 5.405 6.080 1.00 0.00 C ATOM 228 CG GLN A 19 3.790 5.820 7.509 1.00 0.00 C ATOM 229 CD GLN A 19 3.563 4.667 8.488 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.489 4.046 8.983 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.281 4.415 8.739 1.00 0.00 N ATOM 0 H GLN A 19 3.165 6.926 4.128 1.00 0.00 H new ATOM 0 HA GLN A 19 5.323 6.298 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.527 5.920 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.221 4.336 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.832 6.137 7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.184 6.677 7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.554 4.973 8.291 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.025 3.664 9.380 1.00 0.00 H new ATOM 240 N VAL A 20 4.436 3.664 3.881 1.00 0.00 N ATOM 241 CA VAL A 20 4.926 2.416 3.320 1.00 0.00 C ATOM 242 C VAL A 20 6.066 2.712 2.344 1.00 0.00 C ATOM 243 O VAL A 20 7.159 2.165 2.476 1.00 0.00 O ATOM 244 CB VAL A 20 3.772 1.644 2.676 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.283 0.393 1.958 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.707 1.284 3.713 1.00 0.00 C ATOM 0 H VAL A 20 3.456 3.865 3.683 1.00 0.00 H new ATOM 0 HA VAL A 20 5.330 1.777 4.105 1.00 0.00 H new ATOM 0 HB VAL A 20 3.309 2.292 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.443 -0.137 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.987 0.683 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.783 -0.259 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.898 0.736 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.152 0.663 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.311 2.196 4.159 1.00 0.00 H new ATOM 256 N LYS A 21 5.771 3.578 1.385 1.00 0.00 N ATOM 257 CA LYS A 21 6.758 3.954 0.387 1.00 0.00 C ATOM 258 C LYS A 21 8.100 4.213 1.075 1.00 0.00 C ATOM 259 O LYS A 21 9.112 3.615 0.714 1.00 0.00 O ATOM 260 CB LYS A 21 6.255 5.136 -0.444 1.00 0.00 C ATOM 261 CG LYS A 21 6.949 5.182 -1.807 1.00 0.00 C ATOM 262 CD LYS A 21 6.118 5.972 -2.820 1.00 0.00 C ATOM 263 CE LYS A 21 6.810 7.285 -3.191 1.00 0.00 C ATOM 264 NZ LYS A 21 6.422 7.707 -4.556 1.00 0.00 N ATOM 0 H LYS A 21 4.863 4.030 1.278 1.00 0.00 H new ATOM 0 HA LYS A 21 6.914 3.140 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.177 5.055 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.438 6.067 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.933 5.640 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.107 4.167 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.964 5.372 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.133 6.181 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.541 8.060 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.892 7.161 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.181 8.285 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.265 6.866 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.547 8.267 -4.511 1.00 0.00 H new ATOM 278 N ASP A 22 8.064 5.105 2.054 1.00 0.00 N ATOM 279 CA ASP A 22 9.265 5.450 2.796 1.00 0.00 C ATOM 280 C ASP A 22 10.059 4.177 3.094 1.00 0.00 C ATOM 281 O ASP A 22 11.289 4.199 3.119 1.00 0.00 O ATOM 282 CB ASP A 22 8.917 6.113 4.130 1.00 0.00 C ATOM 283 CG ASP A 22 8.909 7.643 4.108 1.00 0.00 C ATOM 284 OD1 ASP A 22 9.961 8.212 3.745 1.00 0.00 O ATOM 285 OD2 ASP A 22 7.850 8.210 4.456 1.00 0.00 O ATOM 0 H ASP A 22 7.222 5.599 2.351 1.00 0.00 H new ATOM 0 HA ASP A 22 9.848 6.143 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.934 5.764 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.632 5.779 4.882 1.00 0.00 H new ATOM 290 N LEU A 23 9.323 3.096 3.312 1.00 0.00 N ATOM 291 CA LEU A 23 9.943 1.816 3.607 1.00 0.00 C ATOM 292 C LEU A 23 10.204 1.066 2.299 1.00 0.00 C ATOM 293 O LEU A 23 11.226 0.397 2.156 1.00 0.00 O ATOM 294 CB LEU A 23 9.096 1.029 4.609 1.00 0.00 C ATOM 295 CG LEU A 23 9.080 1.565 6.042 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.209 0.690 6.945 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.502 1.714 6.587 1.00 0.00 C ATOM 0 H LEU A 23 8.303 3.081 3.290 1.00 0.00 H new ATOM 0 HA LEU A 23 10.910 1.963 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.070 0.999 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.457 0.001 4.631 1.00 0.00 H new ATOM 0 HG LEU A 23 8.634 2.559 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.215 1.093 7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.187 0.679 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.603 -0.326 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.463 2.097 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.997 0.743 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.061 2.409 5.960 1.00 0.00 H new ATOM 309 N LEU A 24 9.262 1.204 1.378 1.00 0.00 N ATOM 310 CA LEU A 24 9.377 0.549 0.086 1.00 0.00 C ATOM 311 C LEU A 24 9.167 1.579 -1.025 1.00 0.00 C ATOM 312 O LEU A 24 8.125 1.589 -1.679 1.00 0.00 O ATOM 313 CB LEU A 24 8.424 -0.646 0.005 1.00 0.00 C ATOM 314 CG LEU A 24 8.692 -1.786 0.990 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.614 -2.866 0.884 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.098 -2.358 0.798 1.00 0.00 C ATOM 0 H LEU A 24 8.416 1.760 1.501 1.00 0.00 H new ATOM 0 HA LEU A 24 10.378 0.139 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.408 -0.286 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.464 -1.050 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 24 8.645 -1.382 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.828 -3.665 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.640 -2.431 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.605 -3.273 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.262 -3.166 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.199 -2.743 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.836 -1.573 0.964 1.00 0.00 H new ATOM 328 N PRO A 25 10.200 2.445 -1.209 1.00 0.00 N ATOM 329 CA PRO A 25 10.138 3.477 -2.229 1.00 0.00 C ATOM 330 C PRO A 25 10.343 2.882 -3.624 1.00 0.00 C ATOM 331 O PRO A 25 9.804 3.392 -4.605 1.00 0.00 O ATOM 332 CB PRO A 25 11.219 4.475 -1.845 1.00 0.00 C ATOM 333 CG PRO A 25 12.150 3.737 -0.896 1.00 0.00 C ATOM 334 CD PRO A 25 11.449 2.463 -0.453 1.00 0.00 C ATOM 0 HA PRO A 25 9.164 3.963 -2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.757 4.826 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.787 5.353 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.092 3.502 -1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.390 4.360 -0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.055 1.583 -0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.262 2.467 0.621 1.00 0.00 H new ATOM 342 N ASP A 26 11.123 1.812 -3.667 1.00 0.00 N ATOM 343 CA ASP A 26 11.406 1.143 -4.926 1.00 0.00 C ATOM 344 C ASP A 26 10.095 0.906 -5.678 1.00 0.00 C ATOM 345 O ASP A 26 9.979 1.250 -6.853 1.00 0.00 O ATOM 346 CB ASP A 26 12.068 -0.216 -4.690 1.00 0.00 C ATOM 347 CG ASP A 26 13.597 -0.208 -4.741 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.161 0.905 -4.682 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.167 -1.317 -4.837 1.00 0.00 O ATOM 0 H ASP A 26 11.568 1.392 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 26 12.080 1.778 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.754 -0.592 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.698 -0.918 -5.437 1.00 0.00 H new ATOM 354 N LEU A 27 9.141 0.320 -4.969 1.00 0.00 N ATOM 355 CA LEU A 27 7.842 0.034 -5.555 1.00 0.00 C ATOM 356 C LEU A 27 7.146 1.349 -5.911 1.00 0.00 C ATOM 357 O LEU A 27 7.429 2.386 -5.313 1.00 0.00 O ATOM 358 CB LEU A 27 7.022 -0.865 -4.628 1.00 0.00 C ATOM 359 CG LEU A 27 7.544 -2.291 -4.442 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.905 -2.954 -3.220 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.344 -3.119 -5.713 1.00 0.00 C ATOM 0 H LEU A 27 9.242 0.036 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 27 7.958 -0.526 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.966 -0.389 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.004 -0.919 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 27 8.617 -2.240 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.293 -3.967 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.142 -2.376 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.824 -2.992 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.724 -4.128 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.282 -3.165 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.884 -2.655 -6.538 1.00 0.00 H new ATOM 373 N GLY A 28 6.249 1.263 -6.882 1.00 0.00 N ATOM 374 CA GLY A 28 5.510 2.434 -7.324 1.00 0.00 C ATOM 375 C GLY A 28 4.260 2.648 -6.468 1.00 0.00 C ATOM 376 O GLY A 28 3.608 1.687 -6.064 1.00 0.00 O ATOM 0 H GLY A 28 6.017 0.401 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.149 3.315 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.224 2.315 -8.369 1.00 0.00 H new ATOM 380 N GLU A 29 3.963 3.915 -6.218 1.00 0.00 N ATOM 381 CA GLU A 29 2.802 4.268 -5.419 1.00 0.00 C ATOM 382 C GLU A 29 1.574 3.489 -5.893 1.00 0.00 C ATOM 383 O GLU A 29 0.879 2.869 -5.090 1.00 0.00 O ATOM 384 CB GLU A 29 2.546 5.775 -5.460 1.00 0.00 C ATOM 385 CG GLU A 29 3.217 6.479 -4.279 1.00 0.00 C ATOM 386 CD GLU A 29 2.881 7.971 -4.266 1.00 0.00 C ATOM 387 OE1 GLU A 29 2.939 8.575 -5.359 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.573 8.475 -3.164 1.00 0.00 O ATOM 0 H GLU A 29 4.507 4.710 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 29 3.002 3.995 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.925 6.186 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.473 5.966 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.891 6.021 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.297 6.347 -4.338 1.00 0.00 H new ATOM 395 N GLY A 30 1.344 3.546 -7.197 1.00 0.00 N ATOM 396 CA GLY A 30 0.211 2.854 -7.788 1.00 0.00 C ATOM 397 C GLY A 30 0.007 1.484 -7.139 1.00 0.00 C ATOM 398 O GLY A 30 -1.120 1.104 -6.824 1.00 0.00 O ATOM 0 H GLY A 30 1.923 4.061 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.690 3.455 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.373 2.733 -8.859 1.00 0.00 H new ATOM 402 N PHE A 31 1.114 0.779 -6.960 1.00 0.00 N ATOM 403 CA PHE A 31 1.071 -0.542 -6.355 1.00 0.00 C ATOM 404 C PHE A 31 0.951 -0.443 -4.832 1.00 0.00 C ATOM 405 O PHE A 31 0.339 -1.301 -4.198 1.00 0.00 O ATOM 406 CB PHE A 31 2.387 -1.238 -6.707 1.00 0.00 C ATOM 407 CG PHE A 31 2.646 -2.519 -5.910 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.194 -3.713 -6.377 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.327 -2.462 -4.734 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.435 -4.902 -5.637 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.567 -3.650 -3.994 1.00 0.00 C ATOM 412 CZ PHE A 31 3.116 -4.845 -4.461 1.00 0.00 C ATOM 0 H PHE A 31 2.047 1.097 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 31 0.207 -1.094 -6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.386 -1.478 -7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.210 -0.544 -6.537 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.652 -3.758 -7.310 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.685 -1.513 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.077 -5.851 -6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.108 -3.605 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.299 -5.749 -3.898 1.00 0.00 H new ATOM 422 N ILE A 32 1.545 0.610 -4.291 1.00 0.00 N ATOM 423 CA ILE A 32 1.512 0.831 -2.855 1.00 0.00 C ATOM 424 C ILE A 32 0.087 1.194 -2.432 1.00 0.00 C ATOM 425 O ILE A 32 -0.359 0.812 -1.351 1.00 0.00 O ATOM 426 CB ILE A 32 2.558 1.872 -2.449 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.964 1.423 -2.855 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.466 2.188 -0.955 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.910 2.620 -2.968 1.00 0.00 C ATOM 0 H ILE A 32 2.052 1.319 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 32 1.780 -0.082 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 32 2.347 2.796 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.351 0.717 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.921 0.898 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.220 2.930 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.475 2.581 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.637 1.278 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.902 2.274 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.533 3.312 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.970 3.129 -2.006 1.00 0.00 H new ATOM 441 N LEU A 33 -0.587 1.927 -3.305 1.00 0.00 N ATOM 442 CA LEU A 33 -1.952 2.346 -3.036 1.00 0.00 C ATOM 443 C LEU A 33 -2.877 1.130 -3.105 1.00 0.00 C ATOM 444 O LEU A 33 -3.638 0.870 -2.174 1.00 0.00 O ATOM 445 CB LEU A 33 -2.359 3.483 -3.975 1.00 0.00 C ATOM 446 CG LEU A 33 -3.838 3.874 -3.953 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.672 2.914 -4.803 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.359 3.968 -2.517 1.00 0.00 C ATOM 0 H LEU A 33 -0.213 2.242 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.034 2.752 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.767 4.364 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.094 3.199 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.936 4.865 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.719 3.215 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.319 2.941 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.573 1.902 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.413 4.247 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.246 3.002 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.790 4.722 -1.972 1.00 0.00 H new ATOM 460 N ALA A 34 -2.781 0.416 -4.217 1.00 0.00 N ATOM 461 CA ALA A 34 -3.600 -0.767 -4.420 1.00 0.00 C ATOM 462 C ALA A 34 -3.522 -1.656 -3.176 1.00 0.00 C ATOM 463 O ALA A 34 -4.546 -2.000 -2.589 1.00 0.00 O ATOM 464 CB ALA A 34 -3.142 -1.494 -5.686 1.00 0.00 C ATOM 0 H ALA A 34 -2.148 0.634 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.645 -0.491 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.756 -2.381 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.245 -0.830 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.098 -1.789 -5.579 1.00 0.00 H new ATOM 470 N CYS A 35 -2.296 -2.002 -2.812 1.00 0.00 N ATOM 471 CA CYS A 35 -2.070 -2.844 -1.649 1.00 0.00 C ATOM 472 C CYS A 35 -2.866 -2.267 -0.477 1.00 0.00 C ATOM 473 O CYS A 35 -3.785 -2.909 0.030 1.00 0.00 O ATOM 474 CB CYS A 35 -0.581 -2.969 -1.322 1.00 0.00 C ATOM 475 SG CYS A 35 0.164 -4.324 -2.301 1.00 0.00 S ATOM 0 H CYS A 35 -1.449 -1.715 -3.302 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.415 -3.857 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.072 -2.030 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.449 -3.163 -0.258 1.00 0.00 H new ATOM 0 HG CYS A 35 1.288 -3.921 -2.815 1.00 0.00 H new ATOM 481 N LEU A 36 -2.484 -1.062 -0.080 1.00 0.00 N ATOM 482 CA LEU A 36 -3.151 -0.391 1.023 1.00 0.00 C ATOM 483 C LEU A 36 -4.658 -0.634 0.926 1.00 0.00 C ATOM 484 O LEU A 36 -5.261 -1.190 1.843 1.00 0.00 O ATOM 485 CB LEU A 36 -2.768 1.090 1.060 1.00 0.00 C ATOM 486 CG LEU A 36 -1.437 1.422 1.739 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.776 2.637 1.085 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.624 1.612 3.246 1.00 0.00 C ATOM 0 H LEU A 36 -1.721 -0.533 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.822 -0.805 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.733 1.462 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.560 1.637 1.571 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.762 0.577 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.168 2.852 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.588 2.426 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.436 3.500 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.664 1.847 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.322 2.430 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.020 0.695 3.682 1.00 0.00 H new ATOM 500 N GLU A 37 -5.224 -0.205 -0.193 1.00 0.00 N ATOM 501 CA GLU A 37 -6.649 -0.369 -0.421 1.00 0.00 C ATOM 502 C GLU A 37 -7.087 -1.786 -0.047 1.00 0.00 C ATOM 503 O GLU A 37 -8.050 -1.966 0.697 1.00 0.00 O ATOM 504 CB GLU A 37 -7.012 -0.048 -1.873 1.00 0.00 C ATOM 505 CG GLU A 37 -7.139 1.462 -2.085 1.00 0.00 C ATOM 506 CD GLU A 37 -8.381 1.796 -2.915 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.352 1.015 -2.822 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.330 2.825 -3.623 1.00 0.00 O ATOM 0 H GLU A 37 -4.721 0.256 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.183 0.335 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.249 -0.450 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.951 -0.536 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.196 1.965 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.249 1.838 -2.588 1.00 0.00 H new ATOM 515 N TYR A 38 -6.359 -2.757 -0.579 1.00 0.00 N ATOM 516 CA TYR A 38 -6.661 -4.152 -0.310 1.00 0.00 C ATOM 517 C TYR A 38 -6.369 -4.504 1.150 1.00 0.00 C ATOM 518 O TYR A 38 -6.951 -5.442 1.694 1.00 0.00 O ATOM 519 CB TYR A 38 -5.732 -4.966 -1.214 1.00 0.00 C ATOM 520 CG TYR A 38 -5.986 -6.474 -1.170 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.689 -7.191 -0.029 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.511 -7.117 -2.272 1.00 0.00 C ATOM 523 CE1 TYR A 38 -5.928 -8.610 0.012 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.750 -8.537 -2.231 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.447 -9.213 -1.091 1.00 0.00 C ATOM 526 OH TYR A 38 -6.673 -10.554 -1.052 1.00 0.00 O ATOM 0 H TYR A 38 -5.561 -2.605 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.715 -4.360 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.845 -4.619 -2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.699 -4.773 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.277 -6.688 0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.743 -6.556 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.700 -9.183 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.161 -9.053 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.046 -10.848 -1.909 1.00 0.00 H new ATOM 536 N TYR A 39 -5.469 -3.734 1.743 1.00 0.00 N ATOM 537 CA TYR A 39 -5.094 -3.953 3.129 1.00 0.00 C ATOM 538 C TYR A 39 -5.755 -2.922 4.046 1.00 0.00 C ATOM 539 O TYR A 39 -5.096 -2.332 4.901 1.00 0.00 O ATOM 540 CB TYR A 39 -3.576 -3.771 3.189 1.00 0.00 C ATOM 541 CG TYR A 39 -2.786 -4.933 2.583 1.00 0.00 C ATOM 542 CD1 TYR A 39 -2.934 -6.207 3.092 1.00 0.00 C ATOM 543 CD2 TYR A 39 -1.925 -4.707 1.529 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.191 -7.301 2.522 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.181 -5.800 0.959 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.351 -7.043 1.484 1.00 0.00 C ATOM 547 OH TYR A 39 -0.648 -8.076 0.946 1.00 0.00 O ATOM 0 H TYR A 39 -4.988 -2.957 1.289 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.410 -4.942 3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.309 -2.852 2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.276 -3.645 4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.607 -6.384 3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.809 -3.710 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.298 -8.303 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.504 -5.637 0.134 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.013 -8.925 1.272 1.00 0.00 H new ATOM 557 N HIS A 40 -7.050 -2.735 3.836 1.00 0.00 N ATOM 558 CA HIS A 40 -7.808 -1.786 4.633 1.00 0.00 C ATOM 559 C HIS A 40 -6.963 -0.535 4.883 1.00 0.00 C ATOM 560 O HIS A 40 -6.926 -0.019 5.999 1.00 0.00 O ATOM 561 CB HIS A 40 -8.303 -2.435 5.927 1.00 0.00 C ATOM 562 CG HIS A 40 -9.148 -3.668 5.712 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.503 -3.706 5.988 1.00 0.00 N ATOM 564 CD2 HIS A 40 -8.815 -4.905 5.244 1.00 0.00 C ATOM 565 CE1 HIS A 40 -10.956 -4.916 5.696 1.00 0.00 C ATOM 566 NE2 HIS A 40 -9.908 -5.658 5.236 1.00 0.00 N ATOM 0 H HIS A 40 -7.593 -3.225 3.125 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.699 -1.477 4.086 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.442 -2.700 6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.883 -1.703 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.829 -5.219 4.933 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.976 -5.255 5.803 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.956 -6.631 4.935 1.00 0.00 H new ATOM 574 N TYR A 41 -6.304 -0.085 3.825 1.00 0.00 N ATOM 575 CA TYR A 41 -5.461 1.095 3.916 1.00 0.00 C ATOM 576 C TYR A 41 -4.553 1.028 5.145 1.00 0.00 C ATOM 577 O TYR A 41 -4.491 1.974 5.929 1.00 0.00 O ATOM 578 CB TYR A 41 -6.414 2.283 4.065 1.00 0.00 C ATOM 579 CG TYR A 41 -7.086 2.710 2.758 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.329 3.244 1.735 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.449 2.560 2.602 1.00 0.00 C ATOM 582 CE1 TYR A 41 -6.962 3.645 0.505 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.082 2.961 1.373 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.307 3.484 0.385 1.00 0.00 C ATOM 585 OH TYR A 41 -8.905 3.863 -0.777 1.00 0.00 O ATOM 0 H TYR A 41 -6.337 -0.516 2.901 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.822 1.178 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.185 2.028 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.861 3.130 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.262 3.361 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.041 2.142 3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.382 4.064 -0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.148 2.849 1.238 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.868 3.689 -0.721 1.00 0.00 H new ATOM 595 N ASP A 42 -3.871 -0.100 5.276 1.00 0.00 N ATOM 596 CA ASP A 42 -2.969 -0.304 6.397 1.00 0.00 C ATOM 597 C ASP A 42 -1.536 -0.429 5.877 1.00 0.00 C ATOM 598 O ASP A 42 -1.270 -1.202 4.957 1.00 0.00 O ATOM 599 CB ASP A 42 -3.311 -1.589 7.153 1.00 0.00 C ATOM 600 CG ASP A 42 -3.180 -1.499 8.675 1.00 0.00 C ATOM 601 OD1 ASP A 42 -4.191 -1.132 9.311 1.00 0.00 O ATOM 602 OD2 ASP A 42 -2.070 -1.798 9.167 1.00 0.00 O ATOM 0 H ASP A 42 -3.925 -0.883 4.624 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.070 0.548 7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.334 -1.876 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.662 -2.387 6.794 1.00 0.00 H new ATOM 607 N PRO A 43 -0.625 0.364 6.503 1.00 0.00 N ATOM 608 CA PRO A 43 0.774 0.349 6.113 1.00 0.00 C ATOM 609 C PRO A 43 1.472 -0.914 6.622 1.00 0.00 C ATOM 610 O PRO A 43 2.174 -1.586 5.868 1.00 0.00 O ATOM 611 CB PRO A 43 1.359 1.626 6.695 1.00 0.00 C ATOM 612 CG PRO A 43 0.388 2.074 7.775 1.00 0.00 C ATOM 613 CD PRO A 43 -0.903 1.291 7.596 1.00 0.00 C ATOM 0 HA PRO A 43 0.908 0.322 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.351 1.447 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.469 2.391 5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.809 1.895 8.764 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.199 3.145 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.173 0.759 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.736 1.951 7.354 1.00 0.00 H new ATOM 621 N GLU A 44 1.255 -1.198 7.898 1.00 0.00 N ATOM 622 CA GLU A 44 1.854 -2.369 8.516 1.00 0.00 C ATOM 623 C GLU A 44 1.512 -3.626 7.715 1.00 0.00 C ATOM 624 O GLU A 44 2.398 -4.404 7.365 1.00 0.00 O ATOM 625 CB GLU A 44 1.408 -2.508 9.973 1.00 0.00 C ATOM 626 CG GLU A 44 2.375 -1.787 10.914 1.00 0.00 C ATOM 627 CD GLU A 44 1.800 -0.443 11.367 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.776 -0.477 12.083 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.397 0.587 10.987 1.00 0.00 O ATOM 0 H GLU A 44 0.673 -0.638 8.521 1.00 0.00 H new ATOM 0 HA GLU A 44 2.937 -2.244 8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.406 -2.096 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.353 -3.563 10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.576 -2.412 11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.328 -1.627 10.409 1.00 0.00 H new ATOM 636 N GLN A 45 0.224 -3.787 7.449 1.00 0.00 N ATOM 637 CA GLN A 45 -0.247 -4.937 6.695 1.00 0.00 C ATOM 638 C GLN A 45 0.556 -5.089 5.402 1.00 0.00 C ATOM 639 O GLN A 45 1.236 -6.094 5.203 1.00 0.00 O ATOM 640 CB GLN A 45 -1.744 -4.825 6.402 1.00 0.00 C ATOM 641 CG GLN A 45 -2.551 -4.721 7.698 1.00 0.00 C ATOM 642 CD GLN A 45 -4.053 -4.693 7.408 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.779 -3.816 7.845 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.476 -5.700 6.649 1.00 0.00 N ATOM 0 H GLN A 45 -0.508 -3.140 7.742 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.095 -5.831 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.932 -3.949 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.073 -5.695 5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.318 -5.567 8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.264 -3.818 8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.814 -6.401 6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.462 -5.771 6.400 1.00 0.00 H new ATOM 653 N VAL A 46 0.450 -4.075 4.555 1.00 0.00 N ATOM 654 CA VAL A 46 1.157 -4.084 3.286 1.00 0.00 C ATOM 655 C VAL A 46 2.563 -4.650 3.494 1.00 0.00 C ATOM 656 O VAL A 46 2.890 -5.716 2.974 1.00 0.00 O ATOM 657 CB VAL A 46 1.163 -2.678 2.681 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.937 -2.653 1.361 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.263 -2.158 2.490 1.00 0.00 C ATOM 0 H VAL A 46 -0.115 -3.242 4.723 1.00 0.00 H new ATOM 0 HA VAL A 46 0.649 -4.730 2.570 1.00 0.00 H new ATOM 0 HB VAL A 46 1.671 -2.014 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.926 -1.643 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.967 -2.962 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.470 -3.336 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.231 -1.157 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.807 -2.824 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.769 -2.121 3.455 1.00 0.00 H new ATOM 669 N ILE A 47 3.357 -3.913 4.256 1.00 0.00 N ATOM 670 CA ILE A 47 4.720 -4.328 4.540 1.00 0.00 C ATOM 671 C ILE A 47 4.711 -5.765 5.066 1.00 0.00 C ATOM 672 O ILE A 47 5.349 -6.645 4.490 1.00 0.00 O ATOM 673 CB ILE A 47 5.399 -3.332 5.482 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.517 -1.953 4.830 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.755 -3.861 5.954 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.722 -0.864 5.884 1.00 0.00 C ATOM 0 H ILE A 47 3.082 -3.030 4.686 1.00 0.00 H new ATOM 0 HA ILE A 47 5.317 -4.325 3.628 1.00 0.00 H new ATOM 0 HB ILE A 47 4.773 -3.217 6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.352 -1.948 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.617 -1.741 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.217 -3.134 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.614 -4.803 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.402 -4.024 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.803 0.106 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.873 -0.855 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.636 -1.066 6.442 1.00 0.00 H new ATOM 688 N ASN A 48 3.982 -5.958 6.155 1.00 0.00 N ATOM 689 CA ASN A 48 3.882 -7.273 6.765 1.00 0.00 C ATOM 690 C ASN A 48 3.732 -8.329 5.669 1.00 0.00 C ATOM 691 O ASN A 48 4.491 -9.297 5.626 1.00 0.00 O ATOM 692 CB ASN A 48 2.658 -7.364 7.680 1.00 0.00 C ATOM 693 CG ASN A 48 3.066 -7.280 9.152 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.692 -8.172 9.701 1.00 0.00 O ATOM 695 ND2 ASN A 48 2.679 -6.162 9.758 1.00 0.00 N ATOM 0 H ASN A 48 3.455 -5.226 6.631 1.00 0.00 H new ATOM 0 HA ASN A 48 4.785 -7.442 7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.963 -6.558 7.445 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.132 -8.301 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.904 -6.011 10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.157 -5.455 9.240 1.00 0.00 H new ATOM 702 N ASN A 49 2.749 -8.109 4.809 1.00 0.00 N ATOM 703 CA ASN A 49 2.490 -9.030 3.715 1.00 0.00 C ATOM 704 C ASN A 49 3.762 -9.195 2.882 1.00 0.00 C ATOM 705 O ASN A 49 4.292 -10.299 2.763 1.00 0.00 O ATOM 706 CB ASN A 49 1.388 -8.499 2.797 1.00 0.00 C ATOM 707 CG ASN A 49 0.003 -8.858 3.337 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.655 -9.774 2.872 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.402 -8.087 4.342 1.00 0.00 N ATOM 0 H ASN A 49 2.122 -7.306 4.847 1.00 0.00 H new ATOM 0 HA ASN A 49 2.175 -9.982 4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.477 -7.417 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.511 -8.915 1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.313 -8.246 4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.199 -7.337 4.683 1.00 0.00 H new ATOM 716 N ILE A 50 4.216 -8.081 2.326 1.00 0.00 N ATOM 717 CA ILE A 50 5.416 -8.089 1.507 1.00 0.00 C ATOM 718 C ILE A 50 6.524 -8.848 2.240 1.00 0.00 C ATOM 719 O ILE A 50 7.094 -9.795 1.700 1.00 0.00 O ATOM 720 CB ILE A 50 5.805 -6.662 1.113 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.703 -6.004 0.279 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.156 -6.640 0.396 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.944 -4.499 0.143 1.00 0.00 C ATOM 0 H ILE A 50 3.774 -7.167 2.427 1.00 0.00 H new ATOM 0 HA ILE A 50 5.234 -8.616 0.570 1.00 0.00 H new ATOM 0 HB ILE A 50 5.914 -6.074 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.668 -6.461 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.734 -6.180 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.409 -5.614 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.925 -7.042 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.099 -7.248 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.147 -4.055 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.954 -4.041 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.903 -4.327 -0.346 1.00 0.00 H new ATOM 735 N LEU A 51 6.796 -8.403 3.458 1.00 0.00 N ATOM 736 CA LEU A 51 7.825 -9.029 4.270 1.00 0.00 C ATOM 737 C LEU A 51 7.518 -10.521 4.415 1.00 0.00 C ATOM 738 O LEU A 51 8.419 -11.355 4.328 1.00 0.00 O ATOM 739 CB LEU A 51 7.970 -8.299 5.607 1.00 0.00 C ATOM 740 CG LEU A 51 9.112 -7.285 5.697 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.023 -6.472 6.990 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.470 -7.973 5.545 1.00 0.00 C ATOM 0 H LEU A 51 6.322 -7.617 3.902 1.00 0.00 H new ATOM 0 HA LEU A 51 8.796 -8.949 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.034 -7.782 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.109 -9.043 6.391 1.00 0.00 H new ATOM 0 HG LEU A 51 9.012 -6.584 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.846 -5.759 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.075 -5.934 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.084 -7.143 7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.264 -7.229 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.595 -8.711 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.520 -8.470 4.576 1.00 0.00 H new ATOM 754 N GLU A 52 6.244 -10.812 4.633 1.00 0.00 N ATOM 755 CA GLU A 52 5.808 -12.189 4.790 1.00 0.00 C ATOM 756 C GLU A 52 5.464 -12.796 3.428 1.00 0.00 C ATOM 757 O GLU A 52 4.790 -13.822 3.354 1.00 0.00 O ATOM 758 CB GLU A 52 4.618 -12.281 5.747 1.00 0.00 C ATOM 759 CG GLU A 52 4.952 -11.649 7.100 1.00 0.00 C ATOM 760 CD GLU A 52 4.973 -12.703 8.208 1.00 0.00 C ATOM 761 OE1 GLU A 52 5.768 -13.658 8.068 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.193 -12.531 9.170 1.00 0.00 O ATOM 0 H GLU A 52 5.500 -10.118 4.705 1.00 0.00 H new ATOM 0 HA GLU A 52 6.627 -12.762 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.755 -11.778 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.340 -13.326 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.922 -11.155 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.216 -10.881 7.338 1.00 0.00 H new ATOM 769 N GLU A 53 5.942 -12.135 2.384 1.00 0.00 N ATOM 770 CA GLU A 53 5.694 -12.596 1.028 1.00 0.00 C ATOM 771 C GLU A 53 4.268 -13.135 0.904 1.00 0.00 C ATOM 772 O GLU A 53 4.012 -14.049 0.122 1.00 0.00 O ATOM 773 CB GLU A 53 6.718 -13.654 0.613 1.00 0.00 C ATOM 774 CG GLU A 53 8.038 -13.004 0.193 1.00 0.00 C ATOM 775 CD GLU A 53 8.414 -13.400 -1.236 1.00 0.00 C ATOM 776 OE1 GLU A 53 7.512 -13.334 -2.099 1.00 0.00 O ATOM 777 OE2 GLU A 53 9.595 -13.760 -1.434 1.00 0.00 O ATOM 0 H GLU A 53 6.500 -11.284 2.450 1.00 0.00 H new ATOM 0 HA GLU A 53 5.802 -11.748 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.894 -14.340 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.321 -14.246 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.952 -11.920 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.830 -13.306 0.878 1.00 0.00 H new ATOM 784 N ARG A 54 3.376 -12.547 1.688 1.00 0.00 N ATOM 785 CA ARG A 54 1.982 -12.956 1.676 1.00 0.00 C ATOM 786 C ARG A 54 1.183 -12.090 0.700 1.00 0.00 C ATOM 787 O ARG A 54 -0.046 -12.063 0.751 1.00 0.00 O ATOM 788 CB ARG A 54 1.363 -12.846 3.070 1.00 0.00 C ATOM 789 CG ARG A 54 1.947 -13.898 4.015 1.00 0.00 C ATOM 790 CD ARG A 54 0.855 -14.514 4.892 1.00 0.00 C ATOM 791 NE ARG A 54 -0.157 -15.184 4.044 1.00 0.00 N ATOM 792 CZ ARG A 54 -0.017 -16.418 3.540 1.00 0.00 C ATOM 793 NH1 ARG A 54 1.093 -17.124 3.795 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.987 -16.946 2.781 1.00 0.00 N ATOM 0 H ARG A 54 3.592 -11.790 2.336 1.00 0.00 H new ATOM 0 HA ARG A 54 1.945 -13.998 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.543 -11.850 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.282 -12.972 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.437 -14.680 3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.710 -13.442 4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.295 -15.232 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.381 -13.739 5.495 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.014 -14.675 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.831 -16.722 4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.199 -18.063 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.832 -16.409 2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.880 -17.885 2.397 1.00 0.00 H new ATOM 808 N LEU A 55 1.913 -11.403 -0.166 1.00 0.00 N ATOM 809 CA LEU A 55 1.287 -10.538 -1.152 1.00 0.00 C ATOM 810 C LEU A 55 0.253 -11.340 -1.944 1.00 0.00 C ATOM 811 O LEU A 55 0.576 -12.375 -2.525 1.00 0.00 O ATOM 812 CB LEU A 55 2.349 -9.869 -2.028 1.00 0.00 C ATOM 813 CG LEU A 55 3.037 -8.641 -1.427 1.00 0.00 C ATOM 814 CD1 LEU A 55 4.108 -8.095 -2.374 1.00 0.00 C ATOM 815 CD2 LEU A 55 2.013 -7.572 -1.043 1.00 0.00 C ATOM 0 H LEU A 55 2.932 -11.428 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 55 0.752 -9.725 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.113 -10.609 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.884 -9.576 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 55 3.542 -8.946 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.582 -7.223 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.860 -8.863 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.646 -7.809 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.528 -6.710 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.459 -7.263 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.320 -7.980 -0.307 1.00 0.00 H new ATOM 827 N ALA A 56 -0.971 -10.832 -1.942 1.00 0.00 N ATOM 828 CA ALA A 56 -2.055 -11.487 -2.654 1.00 0.00 C ATOM 829 C ALA A 56 -1.608 -11.794 -4.084 1.00 0.00 C ATOM 830 O ALA A 56 -0.648 -11.205 -4.579 1.00 0.00 O ATOM 831 CB ALA A 56 -3.303 -10.603 -2.609 1.00 0.00 C ATOM 0 H ALA A 56 -1.236 -9.974 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.310 -12.434 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.116 -11.094 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.596 -10.440 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.087 -9.644 -3.080 1.00 0.00 H new ATOM 837 N PRO A 57 -2.345 -12.741 -4.726 1.00 0.00 N ATOM 838 CA PRO A 57 -2.034 -13.133 -6.090 1.00 0.00 C ATOM 839 C PRO A 57 -2.483 -12.061 -7.085 1.00 0.00 C ATOM 840 O PRO A 57 -2.121 -12.108 -8.259 1.00 0.00 O ATOM 841 CB PRO A 57 -2.745 -14.462 -6.289 1.00 0.00 C ATOM 842 CG PRO A 57 -3.800 -14.537 -5.197 1.00 0.00 C ATOM 843 CD PRO A 57 -3.488 -13.460 -4.172 1.00 0.00 C ATOM 0 HA PRO A 57 -0.963 -13.239 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.201 -14.517 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.045 -15.294 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.795 -14.388 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.796 -15.522 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.340 -12.796 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.250 -13.894 -3.201 1.00 0.00 H new ATOM 851 N THR A 58 -3.264 -11.118 -6.577 1.00 0.00 N ATOM 852 CA THR A 58 -3.765 -10.036 -7.407 1.00 0.00 C ATOM 853 C THR A 58 -2.843 -8.819 -7.311 1.00 0.00 C ATOM 854 O THR A 58 -2.787 -8.003 -8.230 1.00 0.00 O ATOM 855 CB THR A 58 -5.205 -9.741 -6.980 1.00 0.00 C ATOM 856 OG1 THR A 58 -5.961 -10.805 -7.552 1.00 0.00 O ATOM 857 CG2 THR A 58 -5.768 -8.484 -7.646 1.00 0.00 C ATOM 0 H THR A 58 -3.562 -11.081 -5.602 1.00 0.00 H new ATOM 0 HA THR A 58 -3.773 -10.317 -8.460 1.00 0.00 H new ATOM 0 HB THR A 58 -5.246 -9.627 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.907 -10.694 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.792 -8.321 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.155 -7.624 -7.376 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.759 -8.611 -8.729 1.00 0.00 H new ATOM 865 N LEU A 59 -2.141 -8.735 -6.190 1.00 0.00 N ATOM 866 CA LEU A 59 -1.223 -7.632 -5.962 1.00 0.00 C ATOM 867 C LEU A 59 0.179 -8.038 -6.419 1.00 0.00 C ATOM 868 O LEU A 59 0.842 -7.293 -7.138 1.00 0.00 O ATOM 869 CB LEU A 59 -1.287 -7.174 -4.504 1.00 0.00 C ATOM 870 CG LEU A 59 -2.689 -7.014 -3.912 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.619 -6.688 -2.419 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.496 -5.972 -4.689 1.00 0.00 C ATOM 0 H LEU A 59 -2.190 -9.413 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.513 -6.766 -6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.736 -7.890 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.768 -6.219 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.212 -7.965 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.629 -6.579 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.108 -7.495 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.071 -5.757 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.488 -5.877 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.986 -5.010 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.589 -6.285 -5.729 1.00 0.00 H new ATOM 884 N SER A 60 0.590 -9.220 -5.982 1.00 0.00 N ATOM 885 CA SER A 60 1.902 -9.734 -6.336 1.00 0.00 C ATOM 886 C SER A 60 2.070 -9.734 -7.857 1.00 0.00 C ATOM 887 O SER A 60 3.193 -9.729 -8.361 1.00 0.00 O ATOM 888 CB SER A 60 2.110 -11.144 -5.779 1.00 0.00 C ATOM 889 OG SER A 60 3.483 -11.416 -5.513 1.00 0.00 O ATOM 0 H SER A 60 0.037 -9.836 -5.386 1.00 0.00 H new ATOM 0 HA SER A 60 2.656 -9.083 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.533 -11.260 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.727 -11.875 -6.491 1.00 0.00 H new ATOM 0 HG SER A 60 3.574 -12.325 -5.158 1.00 0.00 H new ATOM 895 N GLN A 61 0.939 -9.740 -8.546 1.00 0.00 N ATOM 896 CA GLN A 61 0.947 -9.741 -9.999 1.00 0.00 C ATOM 897 C GLN A 61 0.912 -8.307 -10.531 1.00 0.00 C ATOM 898 O GLN A 61 1.515 -8.008 -11.560 1.00 0.00 O ATOM 899 CB GLN A 61 -0.220 -10.561 -10.553 1.00 0.00 C ATOM 900 CG GLN A 61 -1.562 -9.934 -10.169 1.00 0.00 C ATOM 901 CD GLN A 61 -2.726 -10.703 -10.795 1.00 0.00 C ATOM 902 OE1 GLN A 61 -2.768 -11.922 -10.799 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.667 -9.925 -11.324 1.00 0.00 N ATOM 0 H GLN A 61 0.010 -9.744 -8.125 1.00 0.00 H new ATOM 0 HA GLN A 61 1.871 -10.210 -10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.142 -10.625 -11.638 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.168 -11.580 -10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.667 -9.928 -9.084 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.589 -8.895 -10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.570 -8.910 -11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.485 -10.343 -11.767 1.00 0.00 H new ATOM 912 N LEU A 62 0.198 -7.458 -9.805 1.00 0.00 N ATOM 913 CA LEU A 62 0.076 -6.063 -10.191 1.00 0.00 C ATOM 914 C LEU A 62 1.461 -5.510 -10.534 1.00 0.00 C ATOM 915 O LEU A 62 2.477 -6.116 -10.194 1.00 0.00 O ATOM 916 CB LEU A 62 -0.651 -5.268 -9.105 1.00 0.00 C ATOM 917 CG LEU A 62 -2.167 -5.139 -9.270 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.809 -4.561 -8.008 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.515 -4.322 -10.516 1.00 0.00 C ATOM 0 H LEU A 62 -0.301 -7.710 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.537 -5.968 -11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.449 -5.737 -8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.223 -4.266 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.581 -6.137 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.886 -4.480 -8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.605 -5.218 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.394 -3.573 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.598 -4.245 -10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.087 -3.323 -10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.108 -4.814 -11.399 1.00 0.00 H new ATOM 931 N ASP A 63 1.458 -4.366 -11.202 1.00 0.00 N ATOM 932 CA ASP A 63 2.701 -3.725 -11.595 1.00 0.00 C ATOM 933 C ASP A 63 3.421 -3.210 -10.346 1.00 0.00 C ATOM 934 O ASP A 63 3.001 -2.221 -9.747 1.00 0.00 O ATOM 935 CB ASP A 63 2.439 -2.531 -12.515 1.00 0.00 C ATOM 936 CG ASP A 63 3.274 -2.507 -13.797 1.00 0.00 C ATOM 937 OD1 ASP A 63 4.454 -2.912 -13.713 1.00 0.00 O ATOM 938 OD2 ASP A 63 2.713 -2.086 -14.831 1.00 0.00 O ATOM 0 H ASP A 63 0.614 -3.866 -11.481 1.00 0.00 H new ATOM 0 HA ASP A 63 3.307 -4.461 -12.123 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.383 -2.526 -12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.629 -1.614 -11.958 1.00 0.00 H new ATOM 943 N ARG A 64 4.492 -3.904 -9.991 1.00 0.00 N ATOM 944 CA ARG A 64 5.274 -3.530 -8.825 1.00 0.00 C ATOM 945 C ARG A 64 5.615 -2.039 -8.871 1.00 0.00 C ATOM 946 O ARG A 64 5.822 -1.414 -7.832 1.00 0.00 O ATOM 947 CB ARG A 64 6.569 -4.341 -8.746 1.00 0.00 C ATOM 948 CG ARG A 64 6.281 -5.802 -8.399 1.00 0.00 C ATOM 949 CD ARG A 64 7.176 -6.281 -7.254 1.00 0.00 C ATOM 950 NE ARG A 64 7.810 -7.569 -7.612 1.00 0.00 N ATOM 951 CZ ARG A 64 8.784 -7.700 -8.523 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.242 -6.621 -9.173 1.00 0.00 N ATOM 953 NH2 ARG A 64 9.301 -8.909 -8.783 1.00 0.00 N ATOM 0 H ARG A 64 4.837 -4.724 -10.491 1.00 0.00 H new ATOM 0 HA ARG A 64 4.673 -3.742 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.095 -4.287 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.228 -3.908 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.234 -5.913 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.443 -6.427 -9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.942 -5.535 -7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.586 -6.397 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 64 7.485 -8.410 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.849 -5.701 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.983 -6.720 -9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.953 -9.730 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.042 -9.008 -9.477 1.00 0.00 H new ATOM 967 N ASN A 65 5.664 -1.513 -10.086 1.00 0.00 N ATOM 968 CA ASN A 65 5.976 -0.108 -10.281 1.00 0.00 C ATOM 969 C ASN A 65 4.754 0.606 -10.862 1.00 0.00 C ATOM 970 O ASN A 65 4.877 1.387 -11.805 1.00 0.00 O ATOM 971 CB ASN A 65 7.137 0.067 -11.262 1.00 0.00 C ATOM 972 CG ASN A 65 6.760 -0.442 -12.655 1.00 0.00 C ATOM 973 OD1 ASN A 65 6.498 -1.615 -12.865 1.00 0.00 O ATOM 974 ND2 ASN A 65 6.746 0.503 -13.591 1.00 0.00 N ATOM 0 H ASN A 65 5.493 -2.035 -10.945 1.00 0.00 H new ATOM 0 HA ASN A 65 6.254 0.313 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.414 1.120 -11.318 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.010 -0.474 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.505 0.264 -14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.976 1.466 -13.347 1.00 0.00 H new ATOM 981 N LEU A 66 3.603 0.313 -10.276 1.00 0.00 N ATOM 982 CA LEU A 66 2.360 0.917 -10.724 1.00 0.00 C ATOM 983 C LEU A 66 2.312 2.376 -10.264 1.00 0.00 C ATOM 984 O LEU A 66 2.687 2.686 -9.134 1.00 0.00 O ATOM 985 CB LEU A 66 1.162 0.086 -10.260 1.00 0.00 C ATOM 986 CG LEU A 66 -0.193 0.471 -10.857 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.577 -0.472 -11.999 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.272 0.528 -9.774 1.00 0.00 C ATOM 0 H LEU A 66 3.505 -0.335 -9.494 1.00 0.00 H new ATOM 0 HA LEU A 66 2.311 0.924 -11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.357 -0.960 -10.497 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.093 0.159 -9.175 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.108 1.472 -11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.544 -0.176 -12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.178 -0.420 -12.784 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.639 -1.493 -11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.225 0.804 -10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.364 -0.449 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.997 1.270 -9.025 1.00 0.00 H new ATOM 1000 N ASP A 67 1.846 3.231 -11.162 1.00 0.00 N ATOM 1001 CA ASP A 67 1.744 4.649 -10.862 1.00 0.00 C ATOM 1002 C ASP A 67 0.300 4.983 -10.483 1.00 0.00 C ATOM 1003 O ASP A 67 -0.598 4.161 -10.659 1.00 0.00 O ATOM 1004 CB ASP A 67 2.123 5.498 -12.077 1.00 0.00 C ATOM 1005 CG ASP A 67 1.977 7.009 -11.881 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.833 7.573 -11.166 1.00 0.00 O ATOM 1007 OD2 ASP A 67 1.014 7.564 -12.452 1.00 0.00 O ATOM 0 H ASP A 67 1.535 2.969 -12.097 1.00 0.00 H new ATOM 0 HA ASP A 67 2.426 4.870 -10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.157 5.280 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.503 5.195 -12.921 1.00 0.00 H new ATOM 1012 N ARG A 68 0.120 6.192 -9.971 1.00 0.00 N ATOM 1013 CA ARG A 68 -1.200 6.645 -9.566 1.00 0.00 C ATOM 1014 C ARG A 68 -1.795 7.566 -10.633 1.00 0.00 C ATOM 1015 O ARG A 68 -1.205 8.590 -10.973 1.00 0.00 O ATOM 1016 CB ARG A 68 -1.141 7.392 -8.232 1.00 0.00 C ATOM 1017 CG ARG A 68 -0.897 6.425 -7.072 1.00 0.00 C ATOM 1018 CD ARG A 68 -2.210 6.061 -6.376 1.00 0.00 C ATOM 1019 NE ARG A 68 -2.987 5.124 -7.219 1.00 0.00 N ATOM 1020 CZ ARG A 68 -4.315 4.966 -7.138 1.00 0.00 C ATOM 1021 NH1 ARG A 68 -5.022 5.680 -6.252 1.00 0.00 N ATOM 1022 NH2 ARG A 68 -4.936 4.093 -7.943 1.00 0.00 N ATOM 0 H ARG A 68 0.867 6.872 -9.827 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.831 5.764 -9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.345 8.136 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.075 7.930 -8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.415 5.520 -7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.214 6.878 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.004 5.606 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.793 6.962 -6.187 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.480 4.564 -7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.549 6.344 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.033 5.560 -6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.398 3.549 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.947 3.973 -7.881 1.00 0.00 H new ATOM 1036 N GLU A 69 -2.957 7.168 -11.131 1.00 0.00 N ATOM 1037 CA GLU A 69 -3.638 7.946 -12.152 1.00 0.00 C ATOM 1038 C GLU A 69 -4.201 9.235 -11.551 1.00 0.00 C ATOM 1039 O GLU A 69 -5.091 9.192 -10.702 1.00 0.00 O ATOM 1040 CB GLU A 69 -4.743 7.124 -12.820 1.00 0.00 C ATOM 1041 CG GLU A 69 -4.309 6.647 -14.207 1.00 0.00 C ATOM 1042 CD GLU A 69 -5.161 7.294 -15.301 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -6.395 7.103 -15.246 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -4.559 7.964 -16.167 1.00 0.00 O ATOM 0 H GLU A 69 -3.444 6.318 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.913 8.214 -12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.989 6.265 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.648 7.726 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.259 6.891 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.397 5.562 -14.266 1.00 0.00 H new ATOM 1051 N MET A 70 -3.658 10.352 -12.013 1.00 0.00 N ATOM 1052 CA MET A 70 -4.095 11.651 -11.531 1.00 0.00 C ATOM 1053 C MET A 70 -3.875 11.779 -10.023 1.00 0.00 C ATOM 1054 O MET A 70 -3.799 10.775 -9.316 1.00 0.00 O ATOM 1055 CB MET A 70 -5.580 11.841 -11.849 1.00 0.00 C ATOM 1056 CG MET A 70 -5.769 12.773 -13.048 1.00 0.00 C ATOM 1057 SD MET A 70 -7.082 13.936 -12.716 1.00 0.00 S ATOM 1058 CE MET A 70 -6.281 14.968 -11.500 1.00 0.00 C ATOM 0 H MET A 70 -2.920 10.384 -12.716 1.00 0.00 H new ATOM 0 HA MET A 70 -3.506 12.420 -12.031 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.037 10.874 -12.060 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.092 12.253 -10.979 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.842 13.308 -13.253 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.005 12.190 -13.939 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.750 15.952 -11.492 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.378 14.512 -10.515 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.225 15.072 -11.750 1.00 0.00 H new ATOM 1068 N ASN A 71 -3.780 13.022 -9.574 1.00 0.00 N ATOM 1069 CA ASN A 71 -3.570 13.294 -8.162 1.00 0.00 C ATOM 1070 C ASN A 71 -3.499 14.806 -7.944 1.00 0.00 C ATOM 1071 O ASN A 71 -4.389 15.541 -8.370 1.00 0.00 O ATOM 1072 CB ASN A 71 -2.255 12.683 -7.673 1.00 0.00 C ATOM 1073 CG ASN A 71 -2.508 11.396 -6.885 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -3.420 11.299 -6.081 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -1.651 10.417 -7.160 1.00 0.00 N ATOM 0 H ASN A 71 -3.845 13.852 -10.163 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.399 12.856 -7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.609 12.471 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.728 13.401 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.735 9.518 -6.686 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.910 10.565 -7.845 1.00 0.00 H new TER 1082 ASN A 71