USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 276 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot -114:sc= 0.114 USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc=-0.00964 F(o=-1.7,f=-0.0096) USER MOD Single : A 14 ASN : amide:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0301 K(o=-0.03,f=-0.63) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.114 F(o=-0.65,f=-0.11) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 31 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.9!) USER MOD Single : A 34 SER OG : rot -65:sc= 1.01 USER MOD Single : A 35 ASN : amide:sc= -1.52! C(o=-1.5!,f=-8.5!) USER MOD Single : A 36 THR OG1 : rot 98:sc= 0.847 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.501 -25.793 -6.178 1.00 0.00 N ATOM 2 CA LYS A 1 -0.198 -24.804 -7.256 1.00 0.00 C ATOM 3 C LYS A 1 -0.577 -23.395 -6.800 1.00 0.00 C ATOM 4 O LYS A 1 0.272 -22.566 -6.542 1.00 0.00 O ATOM 5 CB LYS A 1 -1.056 -25.231 -8.450 1.00 0.00 C ATOM 6 CG LYS A 1 -0.688 -24.386 -9.671 1.00 0.00 C ATOM 7 CD LYS A 1 -0.069 -25.285 -10.743 1.00 0.00 C ATOM 8 CE LYS A 1 1.351 -25.671 -10.326 1.00 0.00 C ATOM 9 NZ LYS A 1 1.911 -26.400 -11.498 1.00 0.00 N ATOM 0 H1 LYS A 1 -0.239 -26.747 -6.499 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.043 -25.554 -5.324 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.517 -25.768 -5.959 1.00 0.00 H new ATOM 0 HA LYS A 1 0.862 -24.784 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.898 -26.288 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.113 -25.108 -8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.575 -23.890 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.015 -23.603 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.676 -26.180 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.050 -24.766 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.946 -24.789 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.344 -26.300 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.885 -26.698 -11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.328 -27.238 -11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.911 -25.774 -12.328 1.00 0.00 H new ATOM 25 N CYS A 2 -1.848 -23.117 -6.700 1.00 0.00 N ATOM 26 CA CYS A 2 -2.280 -21.760 -6.260 1.00 0.00 C ATOM 27 C CYS A 2 -2.625 -21.777 -4.769 1.00 0.00 C ATOM 28 O CYS A 2 -3.128 -20.813 -4.226 1.00 0.00 O ATOM 29 CB CYS A 2 -3.523 -21.447 -7.095 1.00 0.00 C ATOM 30 SG CYS A 2 -3.348 -19.817 -7.869 1.00 0.00 S ATOM 0 H CYS A 2 -2.605 -23.770 -6.904 1.00 0.00 H new ATOM 0 HA CYS A 2 -1.499 -21.012 -6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.660 -22.211 -7.861 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.411 -21.466 -6.463 1.00 0.00 H new ATOM 35 N ASN A 3 -2.359 -22.868 -4.104 1.00 0.00 N ATOM 36 CA ASN A 3 -2.670 -22.950 -2.649 1.00 0.00 C ATOM 37 C ASN A 3 -2.030 -21.777 -1.898 1.00 0.00 C ATOM 38 O ASN A 3 -2.400 -21.468 -0.782 1.00 0.00 O ATOM 39 CB ASN A 3 -2.068 -24.279 -2.191 1.00 0.00 C ATOM 40 CG ASN A 3 -3.144 -25.365 -2.234 1.00 0.00 C ATOM 41 OD1 ASN A 3 -4.049 -25.308 -3.043 1.00 0.00 O ATOM 42 ND2 ASN A 3 -3.084 -26.360 -1.391 1.00 0.00 N ATOM 0 H ASN A 3 -1.940 -23.706 -4.506 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.741 -22.899 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.232 -24.554 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.673 -24.183 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.797 -27.089 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -2.324 -26.408 -0.712 1.00 0.00 H new ATOM 49 N THR A 4 -1.077 -21.120 -2.500 1.00 0.00 N ATOM 50 CA THR A 4 -0.420 -19.968 -1.817 1.00 0.00 C ATOM 51 C THR A 4 -1.473 -18.939 -1.390 1.00 0.00 C ATOM 52 O THR A 4 -2.586 -18.938 -1.878 1.00 0.00 O ATOM 53 CB THR A 4 0.517 -19.372 -2.870 1.00 0.00 C ATOM 54 OG1 THR A 4 1.030 -18.134 -2.398 1.00 0.00 O ATOM 55 CG2 THR A 4 -0.251 -19.145 -4.172 1.00 0.00 C ATOM 0 H THR A 4 -0.725 -21.330 -3.434 1.00 0.00 H new ATOM 0 HA THR A 4 0.115 -20.268 -0.916 1.00 0.00 H new ATOM 0 HB THR A 4 1.341 -20.061 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.693 -17.405 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.419 -18.721 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.643 -20.096 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.077 -18.457 -3.992 1.00 0.00 H new ATOM 63 N ALA A 5 -1.133 -18.069 -0.477 1.00 0.00 N ATOM 64 CA ALA A 5 -2.118 -17.047 -0.017 1.00 0.00 C ATOM 65 C ALA A 5 -2.431 -16.060 -1.129 1.00 0.00 C ATOM 66 O ALA A 5 -3.562 -15.711 -1.356 1.00 0.00 O ATOM 67 CB ALA A 5 -1.430 -16.298 1.118 1.00 0.00 C ATOM 0 H ALA A 5 -0.217 -18.022 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.053 -17.518 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.099 -15.529 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.180 -16.997 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.518 -15.831 0.746 1.00 0.00 H new ATOM 73 N THR A 6 -1.429 -15.591 -1.806 1.00 0.00 N ATOM 74 CA THR A 6 -1.658 -14.594 -2.884 1.00 0.00 C ATOM 75 C THR A 6 -2.735 -15.088 -3.850 1.00 0.00 C ATOM 76 O THR A 6 -3.625 -14.347 -4.217 1.00 0.00 O ATOM 77 CB THR A 6 -0.298 -14.469 -3.561 1.00 0.00 C ATOM 78 OG1 THR A 6 0.026 -15.700 -4.190 1.00 0.00 O ATOM 79 CG2 THR A 6 0.753 -14.144 -2.496 1.00 0.00 C ATOM 0 H THR A 6 -0.455 -15.855 -1.660 1.00 0.00 H new ATOM 0 HA THR A 6 -2.018 -13.634 -2.515 1.00 0.00 H new ATOM 0 HB THR A 6 -0.322 -13.677 -4.310 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.899 -15.624 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.732 -14.052 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.496 -13.205 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.780 -14.944 -1.756 1.00 0.00 H new ATOM 87 N CYS A 7 -2.703 -16.332 -4.241 1.00 0.00 N ATOM 88 CA CYS A 7 -3.779 -16.820 -5.146 1.00 0.00 C ATOM 89 C CYS A 7 -5.123 -16.483 -4.497 1.00 0.00 C ATOM 90 O CYS A 7 -6.023 -15.961 -5.122 1.00 0.00 O ATOM 91 CB CYS A 7 -3.582 -18.333 -5.238 1.00 0.00 C ATOM 92 SG CYS A 7 -2.349 -18.702 -6.510 1.00 0.00 S ATOM 0 H CYS A 7 -1.995 -17.018 -3.980 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.752 -16.369 -6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.257 -18.728 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.527 -18.820 -5.480 1.00 0.00 H new ATOM 97 N ALA A 8 -5.236 -16.757 -3.225 1.00 0.00 N ATOM 98 CA ALA A 8 -6.488 -16.438 -2.481 1.00 0.00 C ATOM 99 C ALA A 8 -6.547 -14.943 -2.219 1.00 0.00 C ATOM 100 O ALA A 8 -7.490 -14.260 -2.544 1.00 0.00 O ATOM 101 CB ALA A 8 -6.304 -17.140 -1.144 1.00 0.00 C ATOM 0 H ALA A 8 -4.505 -17.194 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.387 -16.739 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.179 -16.965 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.184 -18.211 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.417 -16.748 -0.646 1.00 0.00 H new ATOM 107 N THR A 9 -5.500 -14.465 -1.631 1.00 0.00 N ATOM 108 CA THR A 9 -5.360 -13.034 -1.295 1.00 0.00 C ATOM 109 C THR A 9 -5.526 -12.190 -2.558 1.00 0.00 C ATOM 110 O THR A 9 -5.743 -10.998 -2.512 1.00 0.00 O ATOM 111 CB THR A 9 -3.944 -12.962 -0.730 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.964 -13.384 0.629 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.380 -11.538 -0.810 1.00 0.00 C ATOM 0 H THR A 9 -4.699 -15.035 -1.357 1.00 0.00 H new ATOM 0 HA THR A 9 -6.103 -12.655 -0.593 1.00 0.00 H new ATOM 0 HB THR A 9 -3.304 -13.614 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.057 -13.342 0.998 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.370 -11.523 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.353 -11.215 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.015 -10.862 -0.237 1.00 0.00 H new ATOM 121 N GLN A 10 -5.415 -12.790 -3.695 1.00 0.00 N ATOM 122 CA GLN A 10 -5.560 -11.997 -4.934 1.00 0.00 C ATOM 123 C GLN A 10 -6.851 -11.182 -4.841 1.00 0.00 C ATOM 124 O GLN A 10 -6.941 -10.080 -5.346 1.00 0.00 O ATOM 125 CB GLN A 10 -5.640 -13.022 -6.066 1.00 0.00 C ATOM 126 CG GLN A 10 -5.202 -12.367 -7.376 1.00 0.00 C ATOM 127 CD GLN A 10 -3.679 -12.447 -7.507 1.00 0.00 C ATOM 128 OE1 GLN A 10 -2.947 -12.558 -6.431 1.00 0.00 O flip ATOM 129 NE2 GLN A 10 -3.149 -12.407 -8.600 1.00 0.00 N flip ATOM 0 H GLN A 10 -5.232 -13.785 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.737 -11.302 -5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.002 -13.877 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.658 -13.400 -6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.676 -12.867 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.525 -11.326 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.720 -12.320 -9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.133 -12.460 -8.677 1.00 0.00 H new ATOM 138 N ARG A 11 -7.848 -11.711 -4.179 1.00 0.00 N ATOM 139 CA ARG A 11 -9.126 -10.956 -4.037 1.00 0.00 C ATOM 140 C ARG A 11 -9.017 -9.934 -2.896 1.00 0.00 C ATOM 141 O ARG A 11 -9.376 -8.788 -3.057 1.00 0.00 O ATOM 142 CB ARG A 11 -10.204 -12.004 -3.734 1.00 0.00 C ATOM 143 CG ARG A 11 -9.889 -12.741 -2.432 1.00 0.00 C ATOM 144 CD ARG A 11 -10.576 -12.031 -1.263 1.00 0.00 C ATOM 145 NE ARG A 11 -11.940 -12.631 -1.202 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.928 -11.972 -0.656 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.724 -10.794 -0.127 1.00 0.00 N ATOM 148 NH2 ARG A 11 -14.124 -12.496 -0.634 1.00 0.00 N ATOM 0 H ARG A 11 -7.832 -12.628 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.367 -10.396 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.178 -11.520 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.266 -12.717 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.231 -13.774 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.811 -12.771 -2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.033 -12.187 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.624 -10.955 -1.427 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.103 -13.561 -1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.790 -10.384 -0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.499 -10.284 0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.285 -13.417 -1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.897 -11.984 -0.209 1.00 0.00 H new ATOM 162 N LEU A 12 -8.525 -10.327 -1.747 1.00 0.00 N ATOM 163 CA LEU A 12 -8.400 -9.353 -0.624 1.00 0.00 C ATOM 164 C LEU A 12 -7.251 -8.430 -0.872 1.00 0.00 C ATOM 165 O LEU A 12 -7.211 -7.333 -0.361 1.00 0.00 O ATOM 166 CB LEU A 12 -8.258 -10.194 0.665 1.00 0.00 C ATOM 167 CG LEU A 12 -6.819 -10.239 1.218 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.867 -10.683 0.142 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.366 -8.886 1.713 1.00 0.00 C ATOM 0 H LEU A 12 -8.207 -11.274 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.270 -8.704 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.919 -9.786 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.593 -11.212 0.464 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.819 -10.942 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.853 -10.712 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.148 -11.677 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.908 -9.982 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.348 -8.960 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.395 -8.170 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.028 -8.550 2.511 1.00 0.00 H new ATOM 181 N ALA A 13 -6.328 -8.826 -1.674 1.00 0.00 N ATOM 182 CA ALA A 13 -5.213 -7.916 -1.960 1.00 0.00 C ATOM 183 C ALA A 13 -5.800 -6.544 -2.167 1.00 0.00 C ATOM 184 O ALA A 13 -5.332 -5.552 -1.658 1.00 0.00 O ATOM 185 CB ALA A 13 -4.642 -8.434 -3.259 1.00 0.00 C ATOM 0 H ALA A 13 -6.296 -9.732 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.458 -7.865 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.797 -7.814 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.308 -9.463 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.409 -8.399 -4.033 1.00 0.00 H new ATOM 191 N ASN A 14 -6.889 -6.547 -2.865 1.00 0.00 N ATOM 192 CA ASN A 14 -7.655 -5.322 -3.136 1.00 0.00 C ATOM 193 C ASN A 14 -8.014 -4.641 -1.822 1.00 0.00 C ATOM 194 O ASN A 14 -7.814 -3.462 -1.623 1.00 0.00 O ATOM 195 CB ASN A 14 -8.914 -5.873 -3.781 1.00 0.00 C ATOM 196 CG ASN A 14 -8.638 -6.239 -5.235 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.780 -5.422 -6.122 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.246 -7.452 -5.515 1.00 0.00 N ATOM 0 H ASN A 14 -7.293 -7.389 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.123 -4.590 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.257 -6.752 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.713 -5.133 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.058 -7.717 -6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.128 -8.135 -4.767 1.00 0.00 H new ATOM 205 N PHE A 15 -8.545 -5.417 -0.929 1.00 0.00 N ATOM 206 CA PHE A 15 -8.947 -4.912 0.403 1.00 0.00 C ATOM 207 C PHE A 15 -7.758 -4.202 1.041 1.00 0.00 C ATOM 208 O PHE A 15 -7.892 -3.240 1.770 1.00 0.00 O ATOM 209 CB PHE A 15 -9.358 -6.216 1.126 1.00 0.00 C ATOM 210 CG PHE A 15 -8.825 -6.357 2.530 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.708 -5.271 3.391 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.489 -7.632 2.975 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.242 -5.468 4.695 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.032 -7.842 4.268 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.905 -6.756 5.138 1.00 0.00 C ATOM 0 H PHE A 15 -8.722 -6.411 -1.073 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.751 -4.176 0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.446 -6.269 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.015 -7.066 0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.976 -4.280 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.586 -8.472 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.141 -4.626 5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.776 -8.838 4.600 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.549 -6.907 6.146 1.00 0.00 H new ATOM 225 N LEU A 16 -6.596 -4.687 0.768 1.00 0.00 N ATOM 226 CA LEU A 16 -5.370 -4.096 1.353 1.00 0.00 C ATOM 227 C LEU A 16 -4.703 -3.083 0.422 1.00 0.00 C ATOM 228 O LEU A 16 -4.376 -1.983 0.823 1.00 0.00 O ATOM 229 CB LEU A 16 -4.503 -5.326 1.512 1.00 0.00 C ATOM 230 CG LEU A 16 -5.144 -6.237 2.540 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.200 -7.391 2.873 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.467 -5.446 3.808 1.00 0.00 C ATOM 0 H LEU A 16 -6.435 -5.484 0.152 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.555 -3.536 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.401 -5.844 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.499 -5.043 1.830 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.069 -6.642 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.667 -8.042 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.990 -7.962 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.268 -6.994 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.927 -6.107 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.548 -5.029 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.156 -4.637 3.566 1.00 0.00 H new ATOM 244 N VAL A 17 -4.490 -3.438 -0.808 1.00 0.00 N ATOM 245 CA VAL A 17 -3.835 -2.489 -1.743 1.00 0.00 C ATOM 246 C VAL A 17 -4.740 -1.277 -1.926 1.00 0.00 C ATOM 247 O VAL A 17 -4.288 -0.155 -2.043 1.00 0.00 O ATOM 248 CB VAL A 17 -3.640 -3.286 -3.028 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.621 -4.393 -2.756 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.964 -3.924 -3.445 1.00 0.00 C ATOM 0 H VAL A 17 -4.740 -4.343 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.878 -2.102 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.291 -2.628 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.466 -4.976 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.676 -3.949 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.994 -5.044 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.820 -4.493 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.311 -4.591 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.707 -3.144 -3.613 1.00 0.00 H new ATOM 260 N ARG A 18 -6.020 -1.498 -1.906 1.00 0.00 N ATOM 261 CA ARG A 18 -6.976 -0.376 -2.027 1.00 0.00 C ATOM 262 C ARG A 18 -7.026 0.359 -0.685 1.00 0.00 C ATOM 263 O ARG A 18 -7.462 1.489 -0.591 1.00 0.00 O ATOM 264 CB ARG A 18 -8.307 -1.056 -2.330 1.00 0.00 C ATOM 265 CG ARG A 18 -9.327 -0.017 -2.797 1.00 0.00 C ATOM 266 CD ARG A 18 -9.291 0.081 -4.323 1.00 0.00 C ATOM 267 NE ARG A 18 -9.132 1.534 -4.609 1.00 0.00 N ATOM 268 CZ ARG A 18 -9.044 1.954 -5.843 1.00 0.00 C ATOM 269 NH1 ARG A 18 -9.102 1.102 -6.831 1.00 0.00 N ATOM 270 NH2 ARG A 18 -8.897 3.227 -6.090 1.00 0.00 N ATOM 0 H ARG A 18 -6.447 -2.419 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.715 0.354 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.170 -1.816 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.676 -1.566 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.326 -0.297 -2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.103 0.953 -2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.464 -0.496 -4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.206 -0.311 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.092 2.203 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.216 0.107 -6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.033 1.432 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.851 3.894 -5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.828 3.555 -7.053 1.00 0.00 H new ATOM 284 N SER A 19 -6.566 -0.292 0.355 1.00 0.00 N ATOM 285 CA SER A 19 -6.561 0.337 1.705 1.00 0.00 C ATOM 286 C SER A 19 -5.758 1.641 1.676 1.00 0.00 C ATOM 287 O SER A 19 -5.864 2.469 2.559 1.00 0.00 O ATOM 288 CB SER A 19 -5.878 -0.686 2.611 1.00 0.00 C ATOM 289 OG SER A 19 -6.311 -0.492 3.951 1.00 0.00 O ATOM 0 H SER A 19 -6.191 -1.240 0.322 1.00 0.00 H new ATOM 0 HA SER A 19 -7.565 0.586 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.118 -1.697 2.282 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.795 -0.579 2.548 1.00 0.00 H new ATOM 0 HG SER A 19 -5.875 -1.148 4.534 1.00 0.00 H new ATOM 295 N SER A 20 -4.947 1.820 0.666 1.00 0.00 N ATOM 296 CA SER A 20 -4.123 3.062 0.570 1.00 0.00 C ATOM 297 C SER A 20 -4.942 4.282 0.999 1.00 0.00 C ATOM 298 O SER A 20 -4.430 5.202 1.605 1.00 0.00 O ATOM 299 CB SER A 20 -3.737 3.168 -0.904 1.00 0.00 C ATOM 300 OG SER A 20 -3.331 4.501 -1.188 1.00 0.00 O ATOM 0 H SER A 20 -4.819 1.157 -0.099 1.00 0.00 H new ATOM 0 HA SER A 20 -3.249 3.025 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.929 2.473 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.582 2.891 -1.534 1.00 0.00 H new ATOM 0 HG SER A 20 -3.081 4.573 -2.133 1.00 0.00 H new ATOM 306 N ASN A 21 -6.206 4.300 0.686 1.00 0.00 N ATOM 307 CA ASN A 21 -7.050 5.465 1.076 1.00 0.00 C ATOM 308 C ASN A 21 -7.357 5.417 2.575 1.00 0.00 C ATOM 309 O ASN A 21 -6.890 6.238 3.340 1.00 0.00 O ATOM 310 CB ASN A 21 -8.332 5.316 0.258 1.00 0.00 C ATOM 311 CG ASN A 21 -8.310 6.306 -0.908 1.00 0.00 C ATOM 312 OD1 ASN A 21 -7.259 6.628 -1.425 1.00 0.00 O ATOM 313 ND2 ASN A 21 -9.433 6.805 -1.346 1.00 0.00 N ATOM 0 H ASN A 21 -6.692 3.561 0.178 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.555 6.417 0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.420 4.297 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.202 5.499 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.429 7.466 -2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.315 6.534 -0.912 1.00 0.00 H new ATOM 320 N ASN A 22 -8.139 4.463 3.001 1.00 0.00 N ATOM 321 CA ASN A 22 -8.475 4.366 4.450 1.00 0.00 C ATOM 322 C ASN A 22 -7.198 4.231 5.285 1.00 0.00 C ATOM 323 O ASN A 22 -7.129 4.688 6.408 1.00 0.00 O ATOM 324 CB ASN A 22 -9.330 3.104 4.573 1.00 0.00 C ATOM 325 CG ASN A 22 -9.733 2.901 6.034 1.00 0.00 C ATOM 326 OD1 ASN A 22 -8.876 2.377 6.868 1.00 0.00 O flip ATOM 327 ND2 ASN A 22 -10.839 3.223 6.423 1.00 0.00 N flip ATOM 0 H ASN A 22 -8.560 3.747 2.409 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.997 5.252 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.219 3.192 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.773 2.238 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.509 3.632 5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.097 3.084 7.400 1.00 0.00 H new ATOM 334 N LEU A 23 -6.187 3.610 4.744 1.00 0.00 N ATOM 335 CA LEU A 23 -4.916 3.449 5.507 1.00 0.00 C ATOM 336 C LEU A 23 -4.284 4.817 5.773 1.00 0.00 C ATOM 337 O LEU A 23 -4.207 5.268 6.898 1.00 0.00 O ATOM 338 CB LEU A 23 -4.014 2.608 4.604 1.00 0.00 C ATOM 339 CG LEU A 23 -2.641 2.444 5.259 1.00 0.00 C ATOM 340 CD1 LEU A 23 -2.720 1.373 6.348 1.00 0.00 C ATOM 341 CD2 LEU A 23 -1.620 2.020 4.201 1.00 0.00 C ATOM 0 H LEU A 23 -6.185 3.207 3.807 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.073 2.977 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.465 1.631 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.909 3.087 3.631 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.334 3.391 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.742 1.256 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.448 1.673 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.026 0.425 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.641 1.903 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.927 1.073 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.563 2.782 3.424 1.00 0.00 H new ATOM 353 N GLY A 24 -3.830 5.481 4.745 1.00 0.00 N ATOM 354 CA GLY A 24 -3.204 6.819 4.941 1.00 0.00 C ATOM 355 C GLY A 24 -4.050 7.641 5.917 1.00 0.00 C ATOM 356 O GLY A 24 -5.136 8.071 5.583 1.00 0.00 O ATOM 0 H GLY A 24 -3.866 5.155 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.191 6.705 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.124 7.338 3.986 1.00 0.00 H new ATOM 360 N PRO A 25 -3.521 7.834 7.098 1.00 0.00 N ATOM 361 CA PRO A 25 -4.242 8.615 8.132 1.00 0.00 C ATOM 362 C PRO A 25 -4.595 10.000 7.605 1.00 0.00 C ATOM 363 O PRO A 25 -5.752 10.343 7.460 1.00 0.00 O ATOM 364 CB PRO A 25 -3.257 8.710 9.300 1.00 0.00 C ATOM 365 CG PRO A 25 -1.944 8.196 8.786 1.00 0.00 C ATOM 366 CD PRO A 25 -2.225 7.352 7.573 1.00 0.00 C ATOM 0 HA PRO A 25 -5.183 8.149 8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.163 9.739 9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.601 8.118 10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.283 9.024 8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.437 7.608 9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.452 7.474 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.261 6.292 7.824 1.00 0.00 H new ATOM 374 N VAL A 26 -3.615 10.803 7.316 1.00 0.00 N ATOM 375 CA VAL A 26 -3.915 12.161 6.800 1.00 0.00 C ATOM 376 C VAL A 26 -2.847 12.594 5.795 1.00 0.00 C ATOM 377 O VAL A 26 -1.663 12.486 6.048 1.00 0.00 O ATOM 378 CB VAL A 26 -3.900 13.059 8.035 1.00 0.00 C ATOM 379 CG1 VAL A 26 -4.884 12.517 9.075 1.00 0.00 C ATOM 380 CG2 VAL A 26 -2.492 13.081 8.633 1.00 0.00 C ATOM 0 H VAL A 26 -2.625 10.579 7.414 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.870 12.207 6.276 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.192 14.070 7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.872 13.159 9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.888 12.500 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.593 11.506 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.481 13.722 9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.201 12.069 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.789 13.467 7.895 1.00 0.00 H new ATOM 390 N LEU A 27 -3.253 13.079 4.652 1.00 0.00 N ATOM 391 CA LEU A 27 -2.254 13.512 3.632 1.00 0.00 C ATOM 392 C LEU A 27 -2.962 14.057 2.385 1.00 0.00 C ATOM 393 O LEU A 27 -3.689 13.343 1.722 1.00 0.00 O ATOM 394 CB LEU A 27 -1.468 12.246 3.288 1.00 0.00 C ATOM 395 CG LEU A 27 -2.434 11.071 3.120 1.00 0.00 C ATOM 396 CD1 LEU A 27 -2.075 10.290 1.854 1.00 0.00 C ATOM 397 CD2 LEU A 27 -2.326 10.147 4.336 1.00 0.00 C ATOM 0 H LEU A 27 -4.230 13.194 4.381 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.609 14.309 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.900 12.397 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.748 12.028 4.076 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.453 11.448 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.763 9.453 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.150 10.947 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.056 9.912 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.013 9.309 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.306 9.771 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.582 10.702 5.239 1.00 0.00 H new ATOM 409 N PRO A 28 -2.720 15.311 2.107 1.00 0.00 N ATOM 410 CA PRO A 28 -3.333 15.963 0.930 1.00 0.00 C ATOM 411 C PRO A 28 -2.838 15.317 -0.367 1.00 0.00 C ATOM 412 O PRO A 28 -3.602 15.161 -1.299 1.00 0.00 O ATOM 413 CB PRO A 28 -2.870 17.419 1.020 1.00 0.00 C ATOM 414 CG PRO A 28 -2.322 17.584 2.403 1.00 0.00 C ATOM 415 CD PRO A 28 -1.865 16.228 2.856 1.00 0.00 C ATOM 0 HA PRO A 28 -4.419 15.871 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.110 17.635 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.698 18.105 0.842 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.493 18.292 2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.083 17.979 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.810 16.065 2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.987 16.102 3.932 1.00 0.00 H new ATOM 423 N PRO A 29 -1.571 14.968 -0.404 1.00 0.00 N ATOM 424 CA PRO A 29 -1.004 14.354 -1.609 1.00 0.00 C ATOM 425 C PRO A 29 -2.005 13.407 -2.278 1.00 0.00 C ATOM 426 O PRO A 29 -2.731 12.688 -1.622 1.00 0.00 O ATOM 427 CB PRO A 29 0.204 13.605 -1.073 1.00 0.00 C ATOM 428 CG PRO A 29 0.679 14.459 0.050 1.00 0.00 C ATOM 429 CD PRO A 29 -0.547 15.103 0.645 1.00 0.00 C ATOM 0 HA PRO A 29 -0.748 15.079 -2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.064 12.606 -0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.972 13.485 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.205 13.863 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.380 15.214 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.852 14.605 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.367 16.149 0.893 1.00 0.00 H new ATOM 437 N THR A 30 -2.045 13.399 -3.583 1.00 0.00 N ATOM 438 CA THR A 30 -2.995 12.499 -4.295 1.00 0.00 C ATOM 439 C THR A 30 -4.440 12.870 -3.950 1.00 0.00 C ATOM 440 O THR A 30 -5.199 12.056 -3.463 1.00 0.00 O ATOM 441 CB THR A 30 -2.662 11.096 -3.785 1.00 0.00 C ATOM 442 OG1 THR A 30 -1.269 11.011 -3.520 1.00 0.00 O ATOM 443 CG2 THR A 30 -3.047 10.061 -4.842 1.00 0.00 C ATOM 0 H THR A 30 -1.460 13.977 -4.186 1.00 0.00 H new ATOM 0 HA THR A 30 -2.903 12.573 -5.379 1.00 0.00 H new ATOM 0 HB THR A 30 -3.220 10.899 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.053 10.113 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.809 9.062 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.116 10.128 -5.045 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.491 10.254 -5.760 1.00 0.00 H new ATOM 451 N ASN A 31 -4.825 14.091 -4.197 1.00 0.00 N ATOM 452 CA ASN A 31 -6.222 14.510 -3.884 1.00 0.00 C ATOM 453 C ASN A 31 -7.166 14.082 -5.010 1.00 0.00 C ATOM 454 O ASN A 31 -6.899 14.306 -6.174 1.00 0.00 O ATOM 455 CB ASN A 31 -6.166 16.034 -3.781 1.00 0.00 C ATOM 456 CG ASN A 31 -7.091 16.505 -2.658 1.00 0.00 C ATOM 457 OD1 ASN A 31 -7.750 15.706 -2.022 1.00 0.00 O ATOM 458 ND2 ASN A 31 -7.172 17.779 -2.385 1.00 0.00 N ATOM 0 H ASN A 31 -4.234 14.817 -4.602 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.594 14.054 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.144 16.358 -3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.467 16.484 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.788 18.103 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.620 18.451 -2.918 1.00 0.00 H new ATOM 465 N VAL A 32 -8.267 13.466 -4.673 1.00 0.00 N ATOM 466 CA VAL A 32 -9.225 13.024 -5.727 1.00 0.00 C ATOM 467 C VAL A 32 -10.077 14.206 -6.197 1.00 0.00 C ATOM 468 O VAL A 32 -10.484 14.274 -7.340 1.00 0.00 O ATOM 469 CB VAL A 32 -10.101 11.969 -5.049 1.00 0.00 C ATOM 470 CG1 VAL A 32 -10.965 11.270 -6.101 1.00 0.00 C ATOM 471 CG2 VAL A 32 -9.209 10.936 -4.356 1.00 0.00 C ATOM 0 H VAL A 32 -8.544 13.250 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.717 12.629 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.744 12.450 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.589 10.518 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.600 12.004 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.322 10.789 -6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.832 10.184 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.567 10.456 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.592 11.432 -3.607 1.00 0.00 H new ATOM 481 N GLY A 33 -10.350 15.135 -5.324 1.00 0.00 N ATOM 482 CA GLY A 33 -11.174 16.311 -5.717 1.00 0.00 C ATOM 483 C GLY A 33 -12.508 16.273 -4.969 1.00 0.00 C ATOM 484 O GLY A 33 -13.541 15.981 -5.537 1.00 0.00 O ATOM 0 H GLY A 33 -10.037 15.130 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.642 17.234 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.348 16.303 -6.793 1.00 0.00 H new ATOM 488 N SER A 34 -12.493 16.568 -3.699 1.00 0.00 N ATOM 489 CA SER A 34 -13.762 16.549 -2.916 1.00 0.00 C ATOM 490 C SER A 34 -13.979 17.902 -2.233 1.00 0.00 C ATOM 491 O SER A 34 -14.035 17.996 -1.023 1.00 0.00 O ATOM 492 CB SER A 34 -13.568 15.447 -1.875 1.00 0.00 C ATOM 493 OG SER A 34 -14.421 15.696 -0.765 1.00 0.00 O ATOM 0 H SER A 34 -11.659 16.821 -3.169 1.00 0.00 H new ATOM 0 HA SER A 34 -14.634 16.366 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.794 14.474 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.528 15.416 -1.550 1.00 0.00 H new ATOM 0 HG SER A 34 -14.149 16.527 -0.323 1.00 0.00 H new ATOM 499 N ASN A 35 -14.101 18.950 -3.000 1.00 0.00 N ATOM 500 CA ASN A 35 -14.313 20.296 -2.396 1.00 0.00 C ATOM 501 C ASN A 35 -15.780 20.713 -2.534 1.00 0.00 C ATOM 502 O ASN A 35 -16.467 20.309 -3.451 1.00 0.00 O ATOM 503 CB ASN A 35 -13.411 21.235 -3.198 1.00 0.00 C ATOM 504 CG ASN A 35 -12.003 20.644 -3.271 1.00 0.00 C ATOM 505 OD1 ASN A 35 -11.749 19.581 -2.742 1.00 0.00 O ATOM 506 ND2 ASN A 35 -11.068 21.294 -3.909 1.00 0.00 N ATOM 0 H ASN A 35 -14.063 18.933 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.077 20.313 -1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.812 21.373 -4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.381 22.218 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.125 20.909 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.280 22.187 -4.354 1.00 0.00 H new ATOM 513 N THR A 36 -16.265 21.517 -1.629 1.00 0.00 N ATOM 514 CA THR A 36 -17.687 21.957 -1.710 1.00 0.00 C ATOM 515 C THR A 36 -17.762 23.478 -1.873 1.00 0.00 C ATOM 516 O THR A 36 -16.765 24.170 -1.801 1.00 0.00 O ATOM 517 CB THR A 36 -18.309 21.528 -0.381 1.00 0.00 C ATOM 518 OG1 THR A 36 -17.585 22.115 0.690 1.00 0.00 O ATOM 519 CG2 THR A 36 -18.257 20.004 -0.261 1.00 0.00 C ATOM 0 H THR A 36 -15.739 21.888 -0.838 1.00 0.00 H new ATOM 0 HA THR A 36 -18.207 21.521 -2.563 1.00 0.00 H new ATOM 0 HB THR A 36 -19.347 21.858 -0.341 1.00 0.00 H new ATOM 0 HG1 THR A 36 -18.047 22.924 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 36 -18.700 19.698 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 36 -18.814 19.555 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.220 19.671 -0.300 1.00 0.00 H new ATOM 527 N TYR A 37 -18.937 24.003 -2.092 1.00 0.00 N ATOM 528 CA TYR A 37 -19.074 25.479 -2.261 1.00 0.00 C ATOM 529 C TYR A 37 -17.972 26.007 -3.185 1.00 0.00 C ATOM 530 O TYR A 37 -17.766 25.492 -4.267 1.00 0.00 O ATOM 531 CB TYR A 37 -18.925 26.055 -0.851 1.00 0.00 C ATOM 532 CG TYR A 37 -19.747 25.240 0.119 1.00 0.00 C ATOM 533 CD1 TYR A 37 -21.052 24.857 -0.215 1.00 0.00 C ATOM 534 CD2 TYR A 37 -19.202 24.862 1.351 1.00 0.00 C ATOM 535 CE1 TYR A 37 -21.811 24.097 0.684 1.00 0.00 C ATOM 536 CE2 TYR A 37 -19.961 24.104 2.251 1.00 0.00 C ATOM 537 CZ TYR A 37 -21.265 23.720 1.917 1.00 0.00 C ATOM 538 OH TYR A 37 -22.013 22.972 2.804 1.00 0.00 O ATOM 0 H TYR A 37 -19.807 23.475 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 37 -20.025 25.760 -2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.877 26.046 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -19.251 27.095 -0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -21.473 25.148 -1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.195 25.155 1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -22.817 23.802 0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.540 23.816 3.203 1.00 0.00 H new ATOM 0 HH TYR A 37 -21.484 22.796 3.610 1.00 0.00 H new HETATM 548 N NH2 A 38 -17.245 27.024 -2.805 1.00 0.00 N TER 551 NH2 A 38