USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 685 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 Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0408) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc=-0.00119 (180deg=-0.0774) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.201 (180deg=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.532 K(o=-0.53,f=-2.1) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0298 F(o=-0.63,f=-0.03) USER MOD Single : A 29 SER OG : rot -106:sc= -2.58 USER MOD Single : A 32 ASN : amide:sc= -0.0325 K(o=-0.033,f=-1.3) USER MOD Single : A 33 SER OG : rot 43:sc= 0.934 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0105 X(o=-0.011,f=-0.17) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.323 F(o=-1.1,f=-0.32) USER MOD Single : A 48 THR OG1 : rot -54:sc= 1.08 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 172:sc=-0.00383 (180deg=-0.0333) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -68:sc= 1.2 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.014) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.3) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 27:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.490 -35.935 12.492 1.00 0.00 N ATOM 2 CA GLY A 1 35.898 -35.648 12.693 1.00 0.00 C ATOM 3 C GLY A 1 36.232 -34.189 12.455 1.00 0.00 C ATOM 4 O GLY A 1 37.008 -33.593 13.202 1.00 0.00 O ATOM 0 H1 GLY A 1 34.294 -36.919 12.764 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.918 -35.293 13.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.247 -35.798 11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.180 -35.921 13.710 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.492 -36.268 12.021 1.00 0.00 H new ATOM 8 N SER A 2 35.645 -33.612 11.412 1.00 0.00 N ATOM 9 CA SER A 2 35.889 -32.214 11.074 1.00 0.00 C ATOM 10 C SER A 2 34.582 -31.499 10.745 1.00 0.00 C ATOM 11 O SER A 2 33.696 -32.064 10.103 1.00 0.00 O ATOM 12 CB SER A 2 36.850 -32.114 9.888 1.00 0.00 C ATOM 13 OG SER A 2 38.180 -32.403 10.284 1.00 0.00 O ATOM 0 H SER A 2 34.997 -34.090 10.786 1.00 0.00 H new ATOM 0 HA SER A 2 36.340 -31.730 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.541 -32.808 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.804 -31.112 9.462 1.00 0.00 H new ATOM 0 HG SER A 2 38.775 -32.334 9.508 1.00 0.00 H new ATOM 19 N SER A 3 34.469 -30.251 11.191 1.00 0.00 N ATOM 20 CA SER A 3 33.269 -29.458 10.948 1.00 0.00 C ATOM 21 C SER A 3 32.856 -29.534 9.481 1.00 0.00 C ATOM 22 O SER A 3 31.675 -29.675 9.164 1.00 0.00 O ATOM 23 CB SER A 3 33.506 -28.001 11.348 1.00 0.00 C ATOM 24 OG SER A 3 34.394 -27.362 10.447 1.00 0.00 O ATOM 0 H SER A 3 35.193 -29.768 11.722 1.00 0.00 H new ATOM 0 HA SER A 3 32.463 -29.868 11.556 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.556 -27.467 11.367 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.915 -27.960 12.357 1.00 0.00 H new ATOM 0 HG SER A 3 34.527 -26.431 10.724 1.00 0.00 H new ATOM 30 N GLY A 4 33.838 -29.439 8.590 1.00 0.00 N ATOM 31 CA GLY A 4 33.557 -29.499 7.168 1.00 0.00 C ATOM 32 C GLY A 4 33.813 -28.178 6.470 1.00 0.00 C ATOM 33 O GLY A 4 33.795 -27.121 7.101 1.00 0.00 O ATOM 0 H GLY A 4 34.823 -29.322 8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.174 -30.273 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.517 -29.790 7.018 1.00 0.00 H new ATOM 37 N SER A 5 34.054 -28.237 5.164 1.00 0.00 N ATOM 38 CA SER A 5 34.321 -27.036 4.381 1.00 0.00 C ATOM 39 C SER A 5 33.045 -26.226 4.176 1.00 0.00 C ATOM 40 O SER A 5 32.023 -26.757 3.742 1.00 0.00 O ATOM 41 CB SER A 5 34.926 -27.409 3.026 1.00 0.00 C ATOM 42 OG SER A 5 35.753 -26.370 2.533 1.00 0.00 O ATOM 0 H SER A 5 34.070 -29.103 4.626 1.00 0.00 H new ATOM 0 HA SER A 5 35.034 -26.423 4.933 1.00 0.00 H new ATOM 0 HB2 SER A 5 35.508 -28.325 3.124 1.00 0.00 H new ATOM 0 HB3 SER A 5 34.128 -27.613 2.312 1.00 0.00 H new ATOM 0 HG SER A 5 36.129 -26.634 1.667 1.00 0.00 H new ATOM 48 N SER A 6 33.112 -24.937 4.492 1.00 0.00 N ATOM 49 CA SER A 6 31.962 -24.053 4.346 1.00 0.00 C ATOM 50 C SER A 6 31.408 -24.111 2.925 1.00 0.00 C ATOM 51 O SER A 6 32.082 -24.569 2.003 1.00 0.00 O ATOM 52 CB SER A 6 32.349 -22.615 4.696 1.00 0.00 C ATOM 53 OG SER A 6 32.342 -22.412 6.099 1.00 0.00 O ATOM 0 H SER A 6 33.951 -24.481 4.851 1.00 0.00 H new ATOM 0 HA SER A 6 31.187 -24.391 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.340 -22.395 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 6 31.654 -21.922 4.222 1.00 0.00 H new ATOM 0 HG SER A 6 32.594 -21.486 6.297 1.00 0.00 H new ATOM 59 N GLY A 7 30.175 -23.644 2.758 1.00 0.00 N ATOM 60 CA GLY A 7 29.550 -23.651 1.448 1.00 0.00 C ATOM 61 C GLY A 7 29.120 -22.268 1.003 1.00 0.00 C ATOM 62 O GLY A 7 29.899 -21.507 0.428 1.00 0.00 O ATOM 0 H GLY A 7 29.597 -23.261 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.247 -24.063 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.682 -24.310 1.467 1.00 0.00 H new ATOM 66 N PRO A 8 27.851 -21.924 1.269 1.00 0.00 N ATOM 67 CA PRO A 8 27.290 -20.621 0.899 1.00 0.00 C ATOM 68 C PRO A 8 27.875 -19.482 1.727 1.00 0.00 C ATOM 69 O PRO A 8 28.602 -19.714 2.692 1.00 0.00 O ATOM 70 CB PRO A 8 25.796 -20.783 1.192 1.00 0.00 C ATOM 71 CG PRO A 8 25.727 -21.842 2.238 1.00 0.00 C ATOM 72 CD PRO A 8 26.867 -22.781 1.951 1.00 0.00 C ATOM 0 HA PRO A 8 27.510 -20.361 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 8 25.358 -19.849 1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 8 25.246 -21.074 0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 8 25.817 -21.412 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 8 24.771 -22.365 2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 8 27.274 -23.210 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 8 26.553 -23.613 1.321 1.00 0.00 H new ATOM 80 N ASP A 9 27.552 -18.252 1.342 1.00 0.00 N ATOM 81 CA ASP A 9 28.045 -17.076 2.050 1.00 0.00 C ATOM 82 C ASP A 9 26.933 -16.047 2.234 1.00 0.00 C ATOM 83 O ASP A 9 25.879 -16.138 1.605 1.00 0.00 O ATOM 84 CB ASP A 9 29.215 -16.450 1.290 1.00 0.00 C ATOM 85 CG ASP A 9 28.786 -15.826 -0.023 1.00 0.00 C ATOM 86 OD1 ASP A 9 28.342 -16.574 -0.918 1.00 0.00 O ATOM 87 OD2 ASP A 9 28.894 -14.588 -0.155 1.00 0.00 O ATOM 0 H ASP A 9 26.951 -18.043 0.544 1.00 0.00 H new ATOM 0 HA ASP A 9 28.389 -17.393 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 9 29.684 -15.689 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 9 29.969 -17.213 1.097 1.00 0.00 H new ATOM 92 N PHE A 10 27.176 -15.070 3.101 1.00 0.00 N ATOM 93 CA PHE A 10 26.195 -14.025 3.370 1.00 0.00 C ATOM 94 C PHE A 10 25.461 -13.627 2.093 1.00 0.00 C ATOM 95 O PHE A 10 25.997 -13.747 0.991 1.00 0.00 O ATOM 96 CB PHE A 10 26.878 -12.800 3.981 1.00 0.00 C ATOM 97 CG PHE A 10 27.363 -11.812 2.960 1.00 0.00 C ATOM 98 CD1 PHE A 10 28.348 -12.162 2.051 1.00 0.00 C ATOM 99 CD2 PHE A 10 26.833 -10.533 2.908 1.00 0.00 C ATOM 100 CE1 PHE A 10 28.797 -11.254 1.110 1.00 0.00 C ATOM 101 CE2 PHE A 10 27.278 -9.620 1.969 1.00 0.00 C ATOM 102 CZ PHE A 10 28.260 -9.982 1.068 1.00 0.00 C ATOM 0 H PHE A 10 28.044 -14.980 3.629 1.00 0.00 H new ATOM 0 HA PHE A 10 25.467 -14.419 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 10 26.179 -12.302 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 10 27.723 -13.129 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 10 28.770 -13.156 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 10 26.063 -10.245 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 10 29.567 -11.539 0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 10 26.858 -8.625 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.607 -9.272 0.332 1.00 0.00 H new ATOM 112 N THR A 11 24.228 -13.154 2.249 1.00 0.00 N ATOM 113 CA THR A 11 23.418 -12.740 1.110 1.00 0.00 C ATOM 114 C THR A 11 22.456 -11.623 1.497 1.00 0.00 C ATOM 115 O THR A 11 21.925 -11.585 2.608 1.00 0.00 O ATOM 116 CB THR A 11 22.613 -13.921 0.535 1.00 0.00 C ATOM 117 OG1 THR A 11 21.936 -14.612 1.591 1.00 0.00 O ATOM 118 CG2 THR A 11 23.523 -14.886 -0.208 1.00 0.00 C ATOM 0 H THR A 11 23.769 -13.048 3.154 1.00 0.00 H new ATOM 0 HA THR A 11 24.106 -12.374 0.348 1.00 0.00 H new ATOM 0 HB THR A 11 21.880 -13.525 -0.168 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.425 -15.360 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.932 -15.711 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.014 -14.364 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.276 -15.276 0.476 1.00 0.00 H new ATOM 126 N PRO A 12 22.223 -10.691 0.561 1.00 0.00 N ATOM 127 CA PRO A 12 21.321 -9.557 0.781 1.00 0.00 C ATOM 128 C PRO A 12 19.860 -9.984 0.860 1.00 0.00 C ATOM 129 O PRO A 12 19.247 -10.320 -0.153 1.00 0.00 O ATOM 130 CB PRO A 12 21.555 -8.674 -0.448 1.00 0.00 C ATOM 131 CG PRO A 12 22.034 -9.612 -1.501 1.00 0.00 C ATOM 132 CD PRO A 12 22.821 -10.674 -0.784 1.00 0.00 C ATOM 0 HA PRO A 12 21.521 -9.055 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.638 -8.170 -0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.293 -7.898 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 12 21.196 -10.048 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 12 22.654 -9.094 -2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 12 22.731 -11.642 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.883 -10.432 -0.749 1.00 0.00 H new ATOM 140 N GLN A 13 19.307 -9.967 2.068 1.00 0.00 N ATOM 141 CA GLN A 13 17.917 -10.354 2.278 1.00 0.00 C ATOM 142 C GLN A 13 16.996 -9.140 2.195 1.00 0.00 C ATOM 143 O GLN A 13 16.028 -9.030 2.947 1.00 0.00 O ATOM 144 CB GLN A 13 17.755 -11.040 3.635 1.00 0.00 C ATOM 145 CG GLN A 13 16.449 -11.806 3.778 1.00 0.00 C ATOM 146 CD GLN A 13 16.520 -13.197 3.180 1.00 0.00 C ATOM 147 OE1 GLN A 13 17.604 -13.714 2.907 1.00 0.00 O ATOM 148 NE2 GLN A 13 15.362 -13.813 2.974 1.00 0.00 N ATOM 0 H GLN A 13 19.800 -9.689 2.917 1.00 0.00 H new ATOM 0 HA GLN A 13 17.638 -11.054 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 13 18.588 -11.727 3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 13 17.814 -10.288 4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.190 -11.881 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.649 -11.247 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.487 -13.348 3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.348 -14.752 2.575 1.00 0.00 H new ATOM 157 N LYS A 14 17.305 -8.231 1.277 1.00 0.00 N ATOM 158 CA LYS A 14 16.506 -7.025 1.095 1.00 0.00 C ATOM 159 C LYS A 14 15.258 -7.320 0.268 1.00 0.00 C ATOM 160 O LYS A 14 15.253 -8.226 -0.565 1.00 0.00 O ATOM 161 CB LYS A 14 17.337 -5.936 0.412 1.00 0.00 C ATOM 162 CG LYS A 14 18.568 -5.526 1.202 1.00 0.00 C ATOM 163 CD LYS A 14 19.590 -4.830 0.320 1.00 0.00 C ATOM 164 CE LYS A 14 20.722 -4.234 1.142 1.00 0.00 C ATOM 165 NZ LYS A 14 20.322 -2.955 1.791 1.00 0.00 N ATOM 0 H LYS A 14 18.104 -8.307 0.647 1.00 0.00 H new ATOM 0 HA LYS A 14 16.195 -6.673 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 14 17.648 -6.290 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.710 -5.059 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.275 -4.862 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.019 -6.407 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.996 -5.542 -0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.101 -4.042 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.031 -4.948 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.585 -4.061 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.121 -2.581 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 20.051 -2.265 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.514 -3.125 2.424 1.00 0.00 H new ATOM 179 N PHE A 15 14.202 -6.548 0.504 1.00 0.00 N ATOM 180 CA PHE A 15 12.948 -6.726 -0.219 1.00 0.00 C ATOM 181 C PHE A 15 12.443 -5.394 -0.768 1.00 0.00 C ATOM 182 O PHE A 15 11.380 -4.911 -0.377 1.00 0.00 O ATOM 183 CB PHE A 15 11.891 -7.347 0.696 1.00 0.00 C ATOM 184 CG PHE A 15 11.570 -6.507 1.898 1.00 0.00 C ATOM 185 CD1 PHE A 15 12.521 -6.289 2.882 1.00 0.00 C ATOM 186 CD2 PHE A 15 10.317 -5.934 2.045 1.00 0.00 C ATOM 187 CE1 PHE A 15 12.228 -5.517 3.990 1.00 0.00 C ATOM 188 CE2 PHE A 15 10.018 -5.160 3.151 1.00 0.00 C ATOM 189 CZ PHE A 15 10.975 -4.951 4.124 1.00 0.00 C ATOM 0 H PHE A 15 14.190 -5.793 1.190 1.00 0.00 H new ATOM 0 HA PHE A 15 13.133 -7.398 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.978 -7.512 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 15 12.239 -8.325 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 15 13.503 -6.728 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.565 -6.094 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.978 -5.356 4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.037 -4.720 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.744 -4.346 4.988 1.00 0.00 H new ATOM 199 N LYS A 16 13.213 -4.805 -1.676 1.00 0.00 N ATOM 200 CA LYS A 16 12.846 -3.530 -2.280 1.00 0.00 C ATOM 201 C LYS A 16 12.536 -3.700 -3.764 1.00 0.00 C ATOM 202 O LYS A 16 11.820 -2.891 -4.353 1.00 0.00 O ATOM 203 CB LYS A 16 13.974 -2.512 -2.098 1.00 0.00 C ATOM 204 CG LYS A 16 15.291 -2.946 -2.718 1.00 0.00 C ATOM 205 CD LYS A 16 16.444 -2.079 -2.241 1.00 0.00 C ATOM 206 CE LYS A 16 17.647 -2.193 -3.165 1.00 0.00 C ATOM 207 NZ LYS A 16 17.435 -1.462 -4.444 1.00 0.00 N ATOM 0 H LYS A 16 14.096 -5.191 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 16 11.950 -3.164 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.670 -1.563 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.124 -2.335 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.488 -3.987 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.218 -2.891 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.121 -1.039 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.730 -2.375 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.530 -1.797 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.845 -3.244 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.337 -1.390 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.746 -1.977 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.074 -0.508 -4.243 1.00 0.00 H new ATOM 221 N GLU A 17 13.078 -4.757 -4.360 1.00 0.00 N ATOM 222 CA GLU A 17 12.857 -5.033 -5.774 1.00 0.00 C ATOM 223 C GLU A 17 11.491 -5.676 -5.997 1.00 0.00 C ATOM 224 O GLU A 17 11.366 -6.657 -6.730 1.00 0.00 O ATOM 225 CB GLU A 17 13.958 -5.946 -6.317 1.00 0.00 C ATOM 226 CG GLU A 17 14.256 -5.731 -7.791 1.00 0.00 C ATOM 227 CD GLU A 17 14.938 -6.926 -8.429 1.00 0.00 C ATOM 228 OE1 GLU A 17 16.161 -7.086 -8.235 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.247 -7.702 -9.122 1.00 0.00 O ATOM 0 H GLU A 17 13.673 -5.436 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 17 12.884 -4.085 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.870 -5.782 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.666 -6.985 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.325 -5.524 -8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.890 -4.852 -7.905 1.00 0.00 H new ATOM 236 N LYS A 18 10.469 -5.117 -5.358 1.00 0.00 N ATOM 237 CA LYS A 18 9.111 -5.634 -5.485 1.00 0.00 C ATOM 238 C LYS A 18 8.555 -5.364 -6.879 1.00 0.00 C ATOM 239 O LYS A 18 9.126 -4.590 -7.648 1.00 0.00 O ATOM 240 CB LYS A 18 8.202 -5.001 -4.429 1.00 0.00 C ATOM 241 CG LYS A 18 8.510 -5.451 -3.012 1.00 0.00 C ATOM 242 CD LYS A 18 7.266 -5.438 -2.140 1.00 0.00 C ATOM 243 CE LYS A 18 7.561 -5.951 -0.739 1.00 0.00 C ATOM 244 NZ LYS A 18 6.328 -6.421 -0.049 1.00 0.00 N ATOM 0 H LYS A 18 10.555 -4.305 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 18 9.142 -6.712 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.295 -3.916 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.165 -5.245 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.931 -6.456 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.266 -4.797 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.872 -4.423 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.493 -6.054 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.280 -6.769 -0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.026 -5.158 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.589 -7.030 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.791 -5.601 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.741 -6.961 -0.716 1.00 0.00 H new ATOM 258 N THR A 19 7.435 -6.005 -7.198 1.00 0.00 N ATOM 259 CA THR A 19 6.800 -5.833 -8.499 1.00 0.00 C ATOM 260 C THR A 19 5.496 -5.055 -8.377 1.00 0.00 C ATOM 261 O THR A 19 4.759 -5.208 -7.403 1.00 0.00 O ATOM 262 CB THR A 19 6.514 -7.191 -9.168 1.00 0.00 C ATOM 263 OG1 THR A 19 6.008 -6.988 -10.492 1.00 0.00 O ATOM 264 CG2 THR A 19 5.510 -7.994 -8.354 1.00 0.00 C ATOM 0 H THR A 19 6.949 -6.648 -6.573 1.00 0.00 H new ATOM 0 HA THR A 19 7.498 -5.270 -9.119 1.00 0.00 H new ATOM 0 HB THR A 19 7.448 -7.750 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.830 -7.856 -10.911 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.324 -8.949 -8.846 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.910 -8.172 -7.356 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.576 -7.437 -8.277 1.00 0.00 H new ATOM 272 N ALA A 20 5.215 -4.219 -9.371 1.00 0.00 N ATOM 273 CA ALA A 20 3.997 -3.418 -9.375 1.00 0.00 C ATOM 274 C ALA A 20 2.825 -4.198 -8.788 1.00 0.00 C ATOM 275 O ALA A 20 2.217 -3.775 -7.806 1.00 0.00 O ATOM 276 CB ALA A 20 3.672 -2.959 -10.789 1.00 0.00 C ATOM 0 H ALA A 20 5.815 -4.079 -10.184 1.00 0.00 H new ATOM 0 HA ALA A 20 4.166 -2.541 -8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.760 -2.362 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.495 -2.357 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.528 -3.829 -11.430 1.00 0.00 H new ATOM 282 N GLU A 21 2.514 -5.338 -9.397 1.00 0.00 N ATOM 283 CA GLU A 21 1.414 -6.176 -8.934 1.00 0.00 C ATOM 284 C GLU A 21 1.431 -6.304 -7.413 1.00 0.00 C ATOM 285 O GLU A 21 0.419 -6.076 -6.750 1.00 0.00 O ATOM 286 CB GLU A 21 1.494 -7.563 -9.575 1.00 0.00 C ATOM 287 CG GLU A 21 0.140 -8.225 -9.763 1.00 0.00 C ATOM 288 CD GLU A 21 0.215 -9.470 -10.627 1.00 0.00 C ATOM 289 OE1 GLU A 21 1.098 -10.315 -10.373 1.00 0.00 O ATOM 290 OE2 GLU A 21 -0.609 -9.598 -11.556 1.00 0.00 O ATOM 0 H GLU A 21 3.008 -5.702 -10.212 1.00 0.00 H new ATOM 0 HA GLU A 21 0.479 -5.701 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.985 -7.478 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.120 -8.205 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.270 -8.488 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.549 -7.513 -10.217 1.00 0.00 H new ATOM 297 N GLN A 22 2.586 -6.672 -6.869 1.00 0.00 N ATOM 298 CA GLN A 22 2.735 -6.832 -5.427 1.00 0.00 C ATOM 299 C GLN A 22 2.381 -5.541 -4.697 1.00 0.00 C ATOM 300 O GLN A 22 1.627 -5.553 -3.723 1.00 0.00 O ATOM 301 CB GLN A 22 4.165 -7.250 -5.084 1.00 0.00 C ATOM 302 CG GLN A 22 4.449 -8.720 -5.347 1.00 0.00 C ATOM 303 CD GLN A 22 5.820 -9.146 -4.861 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.675 -8.310 -4.568 1.00 0.00 O ATOM 305 NE2 GLN A 22 6.038 -10.453 -4.773 1.00 0.00 N ATOM 0 H GLN A 22 3.432 -6.865 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 22 2.048 -7.613 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.861 -6.645 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.355 -7.034 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.689 -9.327 -4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.370 -8.916 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.301 -11.111 -5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.942 -10.799 -4.452 1.00 0.00 H new ATOM 314 N LEU A 23 2.929 -4.428 -5.173 1.00 0.00 N ATOM 315 CA LEU A 23 2.671 -3.128 -4.565 1.00 0.00 C ATOM 316 C LEU A 23 1.191 -2.769 -4.653 1.00 0.00 C ATOM 317 O LEU A 23 0.516 -2.622 -3.634 1.00 0.00 O ATOM 318 CB LEU A 23 3.511 -2.048 -5.249 1.00 0.00 C ATOM 319 CG LEU A 23 4.954 -1.911 -4.762 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.674 -0.810 -5.526 1.00 0.00 C ATOM 321 CD2 LEU A 23 4.989 -1.635 -3.266 1.00 0.00 C ATOM 0 H LEU A 23 3.555 -4.400 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 23 2.950 -3.185 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.528 -2.253 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.011 -1.089 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 23 5.470 -2.852 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.699 -0.728 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.681 -1.050 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.158 0.138 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.024 -1.541 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.455 -0.709 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.513 -2.458 -2.733 1.00 0.00 H new ATOM 333 N ARG A 24 0.693 -2.631 -5.877 1.00 0.00 N ATOM 334 CA ARG A 24 -0.707 -2.291 -6.098 1.00 0.00 C ATOM 335 C ARG A 24 -1.596 -2.923 -5.031 1.00 0.00 C ATOM 336 O ARG A 24 -2.486 -2.272 -4.483 1.00 0.00 O ATOM 337 CB ARG A 24 -1.153 -2.752 -7.487 1.00 0.00 C ATOM 338 CG ARG A 24 -2.645 -2.592 -7.732 1.00 0.00 C ATOM 339 CD ARG A 24 -2.988 -2.752 -9.205 1.00 0.00 C ATOM 340 NE ARG A 24 -4.231 -2.071 -9.554 1.00 0.00 N ATOM 341 CZ ARG A 24 -5.433 -2.496 -9.178 1.00 0.00 C ATOM 342 NH1 ARG A 24 -5.551 -3.594 -8.445 1.00 0.00 N ATOM 343 NH2 ARG A 24 -6.518 -1.822 -9.536 1.00 0.00 N ATOM 0 H ARG A 24 1.238 -2.749 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.806 -1.207 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.607 -2.186 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.882 -3.800 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.192 -3.332 -7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.968 -1.610 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.174 -2.355 -9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.076 -3.812 -9.444 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.174 -1.223 -10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.719 -4.114 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.474 -3.918 -8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.430 -0.977 -10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.440 -2.149 -9.247 1.00 0.00 H new ATOM 357 N VAL A 25 -1.348 -4.197 -4.740 1.00 0.00 N ATOM 358 CA VAL A 25 -2.124 -4.917 -3.739 1.00 0.00 C ATOM 359 C VAL A 25 -1.797 -4.427 -2.333 1.00 0.00 C ATOM 360 O VAL A 25 -2.662 -3.902 -1.629 1.00 0.00 O ATOM 361 CB VAL A 25 -1.867 -6.434 -3.814 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.638 -7.161 -2.723 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.239 -6.969 -5.188 1.00 0.00 C ATOM 0 H VAL A 25 -0.615 -4.751 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.175 -4.723 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.804 -6.613 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.444 -8.231 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.318 -6.796 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.705 -6.977 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.051 -8.042 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.295 -6.779 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.638 -6.470 -5.948 1.00 0.00 H new ATOM 373 N LEU A 26 -0.544 -4.599 -1.928 1.00 0.00 N ATOM 374 CA LEU A 26 -0.101 -4.173 -0.605 1.00 0.00 C ATOM 375 C LEU A 26 -0.584 -2.759 -0.298 1.00 0.00 C ATOM 376 O LEU A 26 -1.272 -2.530 0.696 1.00 0.00 O ATOM 377 CB LEU A 26 1.424 -4.235 -0.511 1.00 0.00 C ATOM 378 CG LEU A 26 2.050 -5.622 -0.663 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.435 -5.518 -1.283 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.119 -6.326 0.684 1.00 0.00 C ATOM 0 H LEU A 26 0.184 -5.031 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.532 -4.852 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.842 -3.584 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.726 -3.826 0.453 1.00 0.00 H new ATOM 0 HG LEU A 26 1.420 -6.213 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.865 -6.515 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.359 -5.055 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.075 -4.910 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.567 -7.311 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.726 -5.737 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.113 -6.434 1.090 1.00 0.00 H new ATOM 392 N GLN A 27 -0.220 -1.815 -1.161 1.00 0.00 N ATOM 393 CA GLN A 27 -0.618 -0.424 -0.982 1.00 0.00 C ATOM 394 C GLN A 27 -2.119 -0.314 -0.739 1.00 0.00 C ATOM 395 O GLN A 27 -2.566 0.463 0.104 1.00 0.00 O ATOM 396 CB GLN A 27 -0.225 0.402 -2.208 1.00 0.00 C ATOM 397 CG GLN A 27 0.090 1.854 -1.888 1.00 0.00 C ATOM 398 CD GLN A 27 -0.197 2.784 -3.051 1.00 0.00 C ATOM 399 OE1 GLN A 27 -0.858 3.900 -2.768 1.00 0.00 O flip ATOM 400 NE2 GLN A 27 0.172 2.502 -4.191 1.00 0.00 N flip ATOM 0 H GLN A 27 0.349 -1.988 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.098 -0.033 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.645 -0.054 -2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.036 0.367 -2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.496 2.167 -1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.140 1.941 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.678 1.633 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.028 3.137 -4.964 1.00 0.00 H new ATOM 409 N ALA A 28 -2.893 -1.096 -1.484 1.00 0.00 N ATOM 410 CA ALA A 28 -4.344 -1.087 -1.349 1.00 0.00 C ATOM 411 C ALA A 28 -4.768 -1.544 0.043 1.00 0.00 C ATOM 412 O ALA A 28 -5.777 -1.083 0.577 1.00 0.00 O ATOM 413 CB ALA A 28 -4.979 -1.971 -2.413 1.00 0.00 C ATOM 0 H ALA A 28 -2.539 -1.744 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.691 -0.063 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.063 -1.955 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.712 -1.599 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.618 -2.993 -2.300 1.00 0.00 H new ATOM 419 N SER A 29 -3.992 -2.453 0.625 1.00 0.00 N ATOM 420 CA SER A 29 -4.290 -2.975 1.953 1.00 0.00 C ATOM 421 C SER A 29 -3.775 -2.032 3.036 1.00 0.00 C ATOM 422 O SER A 29 -4.545 -1.523 3.851 1.00 0.00 O ATOM 423 CB SER A 29 -3.669 -4.362 2.130 1.00 0.00 C ATOM 424 OG SER A 29 -3.882 -4.852 3.442 1.00 0.00 O ATOM 0 H SER A 29 -3.152 -2.843 0.197 1.00 0.00 H new ATOM 0 HA SER A 29 -5.373 -3.055 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.101 -5.053 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.599 -4.314 1.926 1.00 0.00 H new ATOM 0 HG SER A 29 -3.043 -4.811 3.947 1.00 0.00 H new ATOM 430 N PHE A 30 -2.465 -1.804 3.038 1.00 0.00 N ATOM 431 CA PHE A 30 -1.844 -0.924 4.021 1.00 0.00 C ATOM 432 C PHE A 30 -2.657 0.356 4.195 1.00 0.00 C ATOM 433 O PHE A 30 -2.889 0.810 5.316 1.00 0.00 O ATOM 434 CB PHE A 30 -0.415 -0.579 3.597 1.00 0.00 C ATOM 435 CG PHE A 30 0.127 0.653 4.263 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.796 0.566 5.473 1.00 0.00 C ATOM 437 CD2 PHE A 30 -0.033 1.899 3.678 1.00 0.00 C ATOM 438 CE1 PHE A 30 1.295 1.699 6.087 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.464 3.036 4.288 1.00 0.00 C ATOM 440 CZ PHE A 30 1.130 2.935 5.494 1.00 0.00 C ATOM 0 H PHE A 30 -1.814 -2.216 2.370 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.816 -1.449 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.237 -1.422 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.389 -0.439 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.929 -0.398 5.942 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.552 1.983 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.814 1.618 7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.332 4.001 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.521 3.821 5.972 1.00 0.00 H new ATOM 450 N LEU A 31 -3.088 0.933 3.079 1.00 0.00 N ATOM 451 CA LEU A 31 -3.875 2.161 3.106 1.00 0.00 C ATOM 452 C LEU A 31 -5.085 2.011 4.022 1.00 0.00 C ATOM 453 O LEU A 31 -5.252 2.771 4.975 1.00 0.00 O ATOM 454 CB LEU A 31 -4.333 2.528 1.694 1.00 0.00 C ATOM 455 CG LEU A 31 -3.262 3.114 0.772 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.590 2.818 -0.683 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.128 4.613 0.996 1.00 0.00 C ATOM 0 H LEU A 31 -2.906 0.570 2.143 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.244 2.960 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.741 1.634 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.149 3.247 1.773 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.308 2.644 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.817 3.243 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.634 1.739 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.554 3.260 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.362 5.013 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.081 5.099 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.845 4.802 2.032 1.00 0.00 H new ATOM 469 N ASN A 32 -5.925 1.024 3.728 1.00 0.00 N ATOM 470 CA ASN A 32 -7.120 0.774 4.527 1.00 0.00 C ATOM 471 C ASN A 32 -6.789 0.777 6.016 1.00 0.00 C ATOM 472 O ASN A 32 -7.289 1.609 6.772 1.00 0.00 O ATOM 473 CB ASN A 32 -7.749 -0.565 4.135 1.00 0.00 C ATOM 474 CG ASN A 32 -9.063 -0.817 4.850 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.632 0.086 5.463 1.00 0.00 O ATOM 476 ND2 ASN A 32 -9.550 -2.050 4.774 1.00 0.00 N ATOM 0 H ASN A 32 -5.801 0.385 2.943 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.833 1.575 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.915 -0.584 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.053 -1.372 4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.430 -2.280 5.235 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.044 -2.767 4.254 1.00 0.00 H new ATOM 483 N SER A 33 -5.942 -0.160 6.430 1.00 0.00 N ATOM 484 CA SER A 33 -5.546 -0.268 7.830 1.00 0.00 C ATOM 485 C SER A 33 -4.030 -0.385 7.958 1.00 0.00 C ATOM 486 O SER A 33 -3.454 -1.441 7.696 1.00 0.00 O ATOM 487 CB SER A 33 -6.219 -1.478 8.480 1.00 0.00 C ATOM 488 OG SER A 33 -5.801 -2.685 7.867 1.00 0.00 O ATOM 0 H SER A 33 -5.517 -0.855 5.817 1.00 0.00 H new ATOM 0 HA SER A 33 -5.868 0.638 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.979 -1.504 9.543 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.302 -1.382 8.400 1.00 0.00 H new ATOM 0 HG SER A 33 -4.835 -2.653 7.707 1.00 0.00 H new ATOM 494 N SER A 34 -3.391 0.707 8.363 1.00 0.00 N ATOM 495 CA SER A 34 -1.941 0.730 8.522 1.00 0.00 C ATOM 496 C SER A 34 -1.455 -0.525 9.242 1.00 0.00 C ATOM 497 O SER A 34 -0.506 -1.177 8.804 1.00 0.00 O ATOM 498 CB SER A 34 -1.512 1.976 9.299 1.00 0.00 C ATOM 499 OG SER A 34 -2.106 2.005 10.585 1.00 0.00 O ATOM 0 H SER A 34 -3.854 1.588 8.587 1.00 0.00 H new ATOM 0 HA SER A 34 -1.491 0.757 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.426 1.992 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.796 2.870 8.744 1.00 0.00 H new ATOM 0 HG SER A 34 -1.815 2.810 11.062 1.00 0.00 H new ATOM 505 N VAL A 35 -2.111 -0.857 10.349 1.00 0.00 N ATOM 506 CA VAL A 35 -1.748 -2.033 11.129 1.00 0.00 C ATOM 507 C VAL A 35 -2.216 -3.313 10.446 1.00 0.00 C ATOM 508 O VAL A 35 -3.416 -3.560 10.322 1.00 0.00 O ATOM 509 CB VAL A 35 -2.346 -1.973 12.547 1.00 0.00 C ATOM 510 CG1 VAL A 35 -1.980 -3.221 13.335 1.00 0.00 C ATOM 511 CG2 VAL A 35 -1.878 -0.719 13.270 1.00 0.00 C ATOM 0 H VAL A 35 -2.897 -0.327 10.726 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.660 -2.040 11.201 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.432 -1.932 12.463 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.411 -3.160 14.334 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.370 -4.101 12.824 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.895 -3.297 13.412 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.310 -0.693 14.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.791 -0.726 13.345 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.197 0.162 12.714 1.00 0.00 H new ATOM 521 N LEU A 36 -1.261 -4.124 10.003 1.00 0.00 N ATOM 522 CA LEU A 36 -1.575 -5.380 9.332 1.00 0.00 C ATOM 523 C LEU A 36 -2.177 -6.385 10.309 1.00 0.00 C ATOM 524 O LEU A 36 -1.763 -6.467 11.466 1.00 0.00 O ATOM 525 CB LEU A 36 -0.317 -5.967 8.691 1.00 0.00 C ATOM 526 CG LEU A 36 -0.542 -7.065 7.650 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.153 -6.483 6.384 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.764 -7.778 7.335 1.00 0.00 C ATOM 0 H LEU A 36 -0.263 -3.934 10.097 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.310 -5.173 8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.238 -5.156 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.316 -6.369 9.482 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.239 -7.794 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.306 -7.279 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.111 -6.020 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.481 -5.733 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.584 -8.556 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.484 -7.061 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.161 -8.229 8.244 1.00 0.00 H new ATOM 540 N THR A 37 -3.157 -7.149 9.836 1.00 0.00 N ATOM 541 CA THR A 37 -3.816 -8.148 10.667 1.00 0.00 C ATOM 542 C THR A 37 -3.560 -9.556 10.141 1.00 0.00 C ATOM 543 O THR A 37 -3.244 -9.742 8.966 1.00 0.00 O ATOM 544 CB THR A 37 -5.336 -7.907 10.738 1.00 0.00 C ATOM 545 OG1 THR A 37 -5.863 -7.715 9.420 1.00 0.00 O ATOM 546 CG2 THR A 37 -5.652 -6.693 11.598 1.00 0.00 C ATOM 0 H THR A 37 -3.512 -7.094 8.881 1.00 0.00 H new ATOM 0 HA THR A 37 -3.394 -8.054 11.668 1.00 0.00 H new ATOM 0 HB THR A 37 -5.800 -8.783 11.191 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.830 -7.564 9.473 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.731 -6.543 11.633 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.275 -6.854 12.608 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.177 -5.810 11.170 1.00 0.00 H new ATOM 554 N ASP A 38 -3.699 -10.544 11.017 1.00 0.00 N ATOM 555 CA ASP A 38 -3.484 -11.937 10.640 1.00 0.00 C ATOM 556 C ASP A 38 -4.289 -12.292 9.394 1.00 0.00 C ATOM 557 O ASP A 38 -3.800 -12.992 8.508 1.00 0.00 O ATOM 558 CB ASP A 38 -3.870 -12.865 11.793 1.00 0.00 C ATOM 559 CG ASP A 38 -3.068 -14.151 11.794 1.00 0.00 C ATOM 560 OD1 ASP A 38 -1.826 -14.076 11.695 1.00 0.00 O ATOM 561 OD2 ASP A 38 -3.683 -15.234 11.892 1.00 0.00 O ATOM 0 H ASP A 38 -3.960 -10.407 11.994 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.425 -12.069 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.720 -12.346 12.739 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.932 -13.102 11.725 1.00 0.00 H new ATOM 566 N GLU A 39 -5.524 -11.805 9.334 1.00 0.00 N ATOM 567 CA GLU A 39 -6.396 -12.073 8.196 1.00 0.00 C ATOM 568 C GLU A 39 -5.845 -11.433 6.925 1.00 0.00 C ATOM 569 O GLU A 39 -5.391 -12.126 6.015 1.00 0.00 O ATOM 570 CB GLU A 39 -7.807 -11.551 8.472 1.00 0.00 C ATOM 571 CG GLU A 39 -8.646 -11.370 7.218 1.00 0.00 C ATOM 572 CD GLU A 39 -10.128 -11.561 7.475 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.630 -11.018 8.482 1.00 0.00 O ATOM 574 OE2 GLU A 39 -10.786 -12.253 6.670 1.00 0.00 O ATOM 0 H GLU A 39 -5.943 -11.223 10.059 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.438 -13.152 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.316 -12.243 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.736 -10.596 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.477 -10.372 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.318 -12.081 6.460 1.00 0.00 H new ATOM 581 N GLU A 40 -5.889 -10.105 6.871 1.00 0.00 N ATOM 582 CA GLU A 40 -5.396 -9.372 5.712 1.00 0.00 C ATOM 583 C GLU A 40 -4.049 -9.922 5.252 1.00 0.00 C ATOM 584 O GLU A 40 -3.833 -10.152 4.062 1.00 0.00 O ATOM 585 CB GLU A 40 -5.265 -7.883 6.040 1.00 0.00 C ATOM 586 CG GLU A 40 -4.772 -7.043 4.874 1.00 0.00 C ATOM 587 CD GLU A 40 -5.867 -6.738 3.870 1.00 0.00 C ATOM 588 OE1 GLU A 40 -6.589 -5.738 4.066 1.00 0.00 O ATOM 589 OE2 GLU A 40 -6.001 -7.499 2.889 1.00 0.00 O ATOM 0 H GLU A 40 -6.261 -9.516 7.616 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.116 -9.497 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.234 -7.505 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.579 -7.763 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.361 -6.107 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.959 -7.567 4.371 1.00 0.00 H new ATOM 596 N LEU A 41 -3.146 -10.131 6.204 1.00 0.00 N ATOM 597 CA LEU A 41 -1.819 -10.655 5.899 1.00 0.00 C ATOM 598 C LEU A 41 -1.912 -11.885 5.002 1.00 0.00 C ATOM 599 O LEU A 41 -1.285 -11.943 3.945 1.00 0.00 O ATOM 600 CB LEU A 41 -1.078 -11.005 7.190 1.00 0.00 C ATOM 601 CG LEU A 41 0.438 -11.167 7.071 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.092 -11.094 8.442 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.782 -12.481 6.384 1.00 0.00 C ATOM 0 H LEU A 41 -3.309 -9.946 7.194 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.264 -9.882 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.284 -10.227 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.493 -11.933 7.583 1.00 0.00 H new ATOM 0 HG LEU A 41 0.824 -10.349 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.171 -11.211 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.875 -10.128 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.700 -11.890 9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.865 -12.579 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.382 -13.311 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.346 -12.495 5.385 1.00 0.00 H new ATOM 615 N ASN A 42 -2.701 -12.865 5.430 1.00 0.00 N ATOM 616 CA ASN A 42 -2.877 -14.094 4.665 1.00 0.00 C ATOM 617 C ASN A 42 -3.227 -13.785 3.213 1.00 0.00 C ATOM 618 O ASN A 42 -2.468 -14.108 2.299 1.00 0.00 O ATOM 619 CB ASN A 42 -3.974 -14.957 5.293 1.00 0.00 C ATOM 620 CG ASN A 42 -3.436 -15.891 6.359 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.488 -16.640 6.122 1.00 0.00 O ATOM 622 ND2 ASN A 42 -4.040 -15.851 7.541 1.00 0.00 N ATOM 0 H ASN A 42 -3.229 -12.832 6.302 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.936 -14.643 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.735 -14.311 5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.463 -15.542 4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.722 -16.457 8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.822 -15.214 7.693 1.00 0.00 H new ATOM 629 N ARG A 43 -4.380 -13.156 3.008 1.00 0.00 N ATOM 630 CA ARG A 43 -4.830 -12.804 1.667 1.00 0.00 C ATOM 631 C ARG A 43 -3.658 -12.351 0.801 1.00 0.00 C ATOM 632 O ARG A 43 -3.397 -12.922 -0.258 1.00 0.00 O ATOM 633 CB ARG A 43 -5.886 -11.698 1.734 1.00 0.00 C ATOM 634 CG ARG A 43 -7.274 -12.203 2.090 1.00 0.00 C ATOM 635 CD ARG A 43 -8.224 -11.055 2.393 1.00 0.00 C ATOM 636 NE ARG A 43 -8.564 -10.295 1.193 1.00 0.00 N ATOM 637 CZ ARG A 43 -9.514 -10.657 0.338 1.00 0.00 C ATOM 638 NH1 ARG A 43 -10.216 -11.762 0.551 1.00 0.00 N ATOM 639 NH2 ARG A 43 -9.765 -9.913 -0.732 1.00 0.00 N ATOM 0 H ARG A 43 -5.019 -12.880 3.754 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.272 -13.692 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.578 -10.957 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.929 -11.190 0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.669 -12.796 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.211 -12.863 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.135 -11.448 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.767 -10.390 3.126 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.043 -9.439 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.027 -12.336 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.945 -12.038 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.228 -9.062 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.495 -10.192 -1.388 1.00 0.00 H new ATOM 653 N LEU A 44 -2.955 -11.321 1.259 1.00 0.00 N ATOM 654 CA LEU A 44 -1.810 -10.790 0.527 1.00 0.00 C ATOM 655 C LEU A 44 -0.754 -11.868 0.311 1.00 0.00 C ATOM 656 O LEU A 44 -0.211 -12.009 -0.785 1.00 0.00 O ATOM 657 CB LEU A 44 -1.201 -9.607 1.282 1.00 0.00 C ATOM 658 CG LEU A 44 -2.166 -8.483 1.661 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.556 -7.594 2.734 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.538 -7.663 0.434 1.00 0.00 C ATOM 0 H LEU A 44 -3.158 -10.837 2.134 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.160 -10.450 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.738 -9.984 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.404 -9.184 0.671 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.075 -8.931 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.257 -6.800 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.342 -8.190 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.631 -7.154 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.225 -6.868 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.638 -7.226 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.018 -8.308 -0.303 1.00 0.00 H new ATOM 672 N ARG A 45 -0.469 -12.629 1.363 1.00 0.00 N ATOM 673 CA ARG A 45 0.521 -13.697 1.288 1.00 0.00 C ATOM 674 C ARG A 45 0.341 -14.517 0.014 1.00 0.00 C ATOM 675 O ARG A 45 1.292 -15.113 -0.492 1.00 0.00 O ATOM 676 CB ARG A 45 0.415 -14.607 2.512 1.00 0.00 C ATOM 677 CG ARG A 45 1.719 -15.302 2.869 1.00 0.00 C ATOM 678 CD ARG A 45 1.685 -15.857 4.285 1.00 0.00 C ATOM 679 NE ARG A 45 1.137 -17.210 4.330 1.00 0.00 N ATOM 680 CZ ARG A 45 1.852 -18.301 4.079 1.00 0.00 C ATOM 681 NH1 ARG A 45 3.136 -18.199 3.767 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.282 -19.498 4.140 1.00 0.00 N ATOM 0 H ARG A 45 -0.910 -12.526 2.277 1.00 0.00 H new ATOM 0 HA ARG A 45 1.510 -13.240 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.082 -14.016 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.350 -15.361 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.906 -16.112 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.546 -14.598 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.694 -15.861 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.085 -15.202 4.917 1.00 0.00 H new ATOM 0 HE ARG A 45 0.151 -17.323 4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.578 -17.281 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.682 -19.039 3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.294 -19.581 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.832 -20.335 3.947 1.00 0.00 H new ATOM 696 N ALA A 46 -0.884 -14.542 -0.500 1.00 0.00 N ATOM 697 CA ALA A 46 -1.188 -15.287 -1.715 1.00 0.00 C ATOM 698 C ALA A 46 -1.154 -14.379 -2.939 1.00 0.00 C ATOM 699 O ALA A 46 -0.511 -14.695 -3.939 1.00 0.00 O ATOM 700 CB ALA A 46 -2.547 -15.962 -1.594 1.00 0.00 C ATOM 0 H ALA A 46 -1.682 -14.055 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.423 -16.053 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.761 -16.515 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.538 -16.649 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.316 -15.206 -1.439 1.00 0.00 H new ATOM 706 N GLN A 47 -1.852 -13.250 -2.853 1.00 0.00 N ATOM 707 CA GLN A 47 -1.901 -12.297 -3.955 1.00 0.00 C ATOM 708 C GLN A 47 -0.498 -11.850 -4.351 1.00 0.00 C ATOM 709 O GLN A 47 -0.096 -11.981 -5.508 1.00 0.00 O ATOM 710 CB GLN A 47 -2.747 -11.083 -3.569 1.00 0.00 C ATOM 711 CG GLN A 47 -4.232 -11.387 -3.451 1.00 0.00 C ATOM 712 CD GLN A 47 -4.991 -10.310 -2.704 1.00 0.00 C ATOM 713 OE1 GLN A 47 -5.450 -10.635 -1.501 1.00 0.00 O flip ATOM 714 NE2 GLN A 47 -5.164 -9.197 -3.201 1.00 0.00 N flip ATOM 0 H GLN A 47 -2.391 -12.974 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.359 -12.792 -4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.389 -10.689 -2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.603 -10.299 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.656 -11.499 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.364 -12.340 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.794 -8.990 -4.129 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.677 -8.482 -2.685 1.00 0.00 H new ATOM 723 N THR A 48 0.244 -11.320 -3.384 1.00 0.00 N ATOM 724 CA THR A 48 1.601 -10.851 -3.632 1.00 0.00 C ATOM 725 C THR A 48 2.577 -12.019 -3.730 1.00 0.00 C ATOM 726 O THR A 48 3.646 -11.900 -4.329 1.00 0.00 O ATOM 727 CB THR A 48 2.076 -9.892 -2.524 1.00 0.00 C ATOM 728 OG1 THR A 48 2.127 -10.580 -1.270 1.00 0.00 O ATOM 729 CG2 THR A 48 1.147 -8.692 -2.413 1.00 0.00 C ATOM 0 H THR A 48 -0.073 -11.205 -2.421 1.00 0.00 H new ATOM 0 HA THR A 48 1.582 -10.316 -4.581 1.00 0.00 H new ATOM 0 HB THR A 48 3.073 -9.537 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.256 -10.991 -1.087 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.502 -8.029 -1.624 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.133 -8.154 -3.361 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.140 -9.033 -2.174 1.00 0.00 H new ATOM 737 N LYS A 49 2.202 -13.148 -3.138 1.00 0.00 N ATOM 738 CA LYS A 49 3.043 -14.339 -3.160 1.00 0.00 C ATOM 739 C LYS A 49 4.339 -14.104 -2.391 1.00 0.00 C ATOM 740 O LYS A 49 5.409 -14.551 -2.807 1.00 0.00 O ATOM 741 CB LYS A 49 3.358 -14.740 -4.603 1.00 0.00 C ATOM 742 CG LYS A 49 2.122 -14.980 -5.451 1.00 0.00 C ATOM 743 CD LYS A 49 1.624 -16.410 -5.319 1.00 0.00 C ATOM 744 CE LYS A 49 0.822 -16.837 -6.539 1.00 0.00 C ATOM 745 NZ LYS A 49 1.704 -17.284 -7.653 1.00 0.00 N ATOM 0 H LYS A 49 1.321 -13.263 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 49 2.496 -15.148 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.959 -13.957 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.965 -15.646 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.334 -14.290 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.350 -14.768 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.473 -17.081 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.005 -16.500 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.146 -17.646 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.204 -16.005 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.120 -17.567 -8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.332 -16.504 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.276 -18.094 -7.339 1.00 0.00 H new ATOM 759 N LEU A 50 4.236 -13.403 -1.268 1.00 0.00 N ATOM 760 CA LEU A 50 5.401 -13.110 -0.439 1.00 0.00 C ATOM 761 C LEU A 50 5.230 -13.684 0.963 1.00 0.00 C ATOM 762 O LEU A 50 4.148 -14.145 1.330 1.00 0.00 O ATOM 763 CB LEU A 50 5.629 -11.599 -0.361 1.00 0.00 C ATOM 764 CG LEU A 50 6.421 -10.979 -1.512 1.00 0.00 C ATOM 765 CD1 LEU A 50 6.311 -9.462 -1.479 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.878 -11.412 -1.451 1.00 0.00 C ATOM 0 H LEU A 50 3.358 -13.027 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 50 6.271 -13.579 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.657 -11.108 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.148 -11.378 0.571 1.00 0.00 H new ATOM 0 HG LEU A 50 5.997 -11.333 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.881 -9.038 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.265 -9.171 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.708 -9.089 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.427 -10.961 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.315 -11.088 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.938 -12.498 -1.525 1.00 0.00 H new ATOM 778 N THR A 51 6.304 -13.650 1.746 1.00 0.00 N ATOM 779 CA THR A 51 6.272 -14.165 3.109 1.00 0.00 C ATOM 780 C THR A 51 5.706 -13.131 4.075 1.00 0.00 C ATOM 781 O THR A 51 5.795 -11.927 3.833 1.00 0.00 O ATOM 782 CB THR A 51 7.677 -14.580 3.585 1.00 0.00 C ATOM 783 OG1 THR A 51 7.592 -15.224 4.861 1.00 0.00 O ATOM 784 CG2 THR A 51 8.595 -13.371 3.682 1.00 0.00 C ATOM 0 H THR A 51 7.207 -13.271 1.459 1.00 0.00 H new ATOM 0 HA THR A 51 5.625 -15.042 3.100 1.00 0.00 H new ATOM 0 HB THR A 51 8.093 -15.274 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.489 -15.486 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.581 -13.689 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.681 -12.900 2.703 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.181 -12.656 4.393 1.00 0.00 H new ATOM 792 N ARG A 52 5.123 -13.608 5.170 1.00 0.00 N ATOM 793 CA ARG A 52 4.541 -12.724 6.173 1.00 0.00 C ATOM 794 C ARG A 52 5.582 -11.739 6.699 1.00 0.00 C ATOM 795 O ARG A 52 5.270 -10.581 6.976 1.00 0.00 O ATOM 796 CB ARG A 52 3.965 -13.540 7.331 1.00 0.00 C ATOM 797 CG ARG A 52 4.927 -14.580 7.881 1.00 0.00 C ATOM 798 CD ARG A 52 4.645 -14.881 9.345 1.00 0.00 C ATOM 799 NE ARG A 52 3.549 -15.833 9.506 1.00 0.00 N ATOM 800 CZ ARG A 52 3.616 -17.103 9.125 1.00 0.00 C ATOM 801 NH1 ARG A 52 4.722 -17.573 8.564 1.00 0.00 N ATOM 802 NH2 ARG A 52 2.576 -17.908 9.306 1.00 0.00 N ATOM 0 H ARG A 52 5.041 -14.602 5.385 1.00 0.00 H new ATOM 0 HA ARG A 52 3.737 -12.159 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.678 -12.862 8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.056 -14.040 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.845 -15.497 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.951 -14.223 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.545 -15.281 9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.400 -13.955 9.865 1.00 0.00 H new ATOM 0 HE ARG A 52 2.684 -15.504 9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.524 -16.958 8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.771 -18.549 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.724 -17.551 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.629 -18.883 9.013 1.00 0.00 H new ATOM 816 N ARG A 53 6.818 -12.208 6.834 1.00 0.00 N ATOM 817 CA ARG A 53 7.903 -11.370 7.329 1.00 0.00 C ATOM 818 C ARG A 53 8.095 -10.147 6.437 1.00 0.00 C ATOM 819 O ARG A 53 8.286 -9.034 6.927 1.00 0.00 O ATOM 820 CB ARG A 53 9.204 -12.172 7.399 1.00 0.00 C ATOM 821 CG ARG A 53 9.080 -13.466 8.186 1.00 0.00 C ATOM 822 CD ARG A 53 8.940 -13.200 9.677 1.00 0.00 C ATOM 823 NE ARG A 53 9.474 -14.295 10.481 1.00 0.00 N ATOM 824 CZ ARG A 53 9.129 -14.514 11.745 1.00 0.00 C ATOM 825 NH1 ARG A 53 8.256 -13.718 12.346 1.00 0.00 N ATOM 826 NH2 ARG A 53 9.659 -15.532 12.412 1.00 0.00 N ATOM 0 H ARG A 53 7.093 -13.164 6.607 1.00 0.00 H new ATOM 0 HA ARG A 53 7.639 -11.031 8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.533 -12.403 6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.978 -11.553 7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.215 -14.027 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.957 -14.088 8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.461 -12.277 9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.888 -13.050 9.921 1.00 0.00 H new ATOM 0 HE ARG A 53 10.149 -14.926 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.847 -12.934 11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.994 -13.889 13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.332 -16.147 11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.394 -15.699 13.383 1.00 0.00 H new ATOM 840 N GLU A 54 8.043 -10.362 5.126 1.00 0.00 N ATOM 841 CA GLU A 54 8.212 -9.277 4.167 1.00 0.00 C ATOM 842 C GLU A 54 7.031 -8.312 4.223 1.00 0.00 C ATOM 843 O GLU A 54 7.205 -7.114 4.448 1.00 0.00 O ATOM 844 CB GLU A 54 8.361 -9.837 2.751 1.00 0.00 C ATOM 845 CG GLU A 54 9.776 -10.278 2.416 1.00 0.00 C ATOM 846 CD GLU A 54 10.082 -10.181 0.934 1.00 0.00 C ATOM 847 OE1 GLU A 54 9.601 -9.225 0.291 1.00 0.00 O ATOM 848 OE2 GLU A 54 10.801 -11.062 0.418 1.00 0.00 O ATOM 0 H GLU A 54 7.885 -11.277 4.704 1.00 0.00 H new ATOM 0 HA GLU A 54 9.118 -8.731 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.687 -10.686 2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.047 -9.078 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.485 -9.663 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.920 -11.307 2.746 1.00 0.00 H new ATOM 855 N ILE A 55 5.831 -8.843 4.015 1.00 0.00 N ATOM 856 CA ILE A 55 4.621 -8.030 4.042 1.00 0.00 C ATOM 857 C ILE A 55 4.537 -7.213 5.327 1.00 0.00 C ATOM 858 O ILE A 55 4.465 -5.985 5.290 1.00 0.00 O ATOM 859 CB ILE A 55 3.356 -8.899 3.916 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.392 -9.705 2.615 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.108 -8.030 3.972 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.372 -10.821 2.568 1.00 0.00 C ATOM 0 H ILE A 55 5.670 -9.832 3.826 1.00 0.00 H new ATOM 0 HA ILE A 55 4.675 -7.355 3.188 1.00 0.00 H new ATOM 0 HB ILE A 55 3.327 -9.596 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.221 -9.032 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.388 -10.128 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.222 -8.659 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.079 -7.496 4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.128 -7.311 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.454 -11.350 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.555 -11.516 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.370 -10.403 2.665 1.00 0.00 H new ATOM 874 N ASP A 56 4.547 -7.903 6.462 1.00 0.00 N ATOM 875 CA ASP A 56 4.475 -7.242 7.760 1.00 0.00 C ATOM 876 C ASP A 56 5.454 -6.075 7.830 1.00 0.00 C ATOM 877 O ASP A 56 5.087 -4.966 8.219 1.00 0.00 O ATOM 878 CB ASP A 56 4.769 -8.239 8.882 1.00 0.00 C ATOM 879 CG ASP A 56 4.619 -7.622 10.258 1.00 0.00 C ATOM 880 OD1 ASP A 56 3.536 -7.073 10.549 1.00 0.00 O ATOM 881 OD2 ASP A 56 5.586 -7.689 11.046 1.00 0.00 O ATOM 0 H ASP A 56 4.604 -8.920 6.510 1.00 0.00 H new ATOM 0 HA ASP A 56 3.464 -6.853 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.095 -9.091 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.783 -8.622 8.767 1.00 0.00 H new ATOM 886 N ALA A 57 6.702 -6.333 7.453 1.00 0.00 N ATOM 887 CA ALA A 57 7.734 -5.304 7.472 1.00 0.00 C ATOM 888 C ALA A 57 7.373 -4.146 6.547 1.00 0.00 C ATOM 889 O ALA A 57 7.375 -2.986 6.959 1.00 0.00 O ATOM 890 CB ALA A 57 9.079 -5.897 7.078 1.00 0.00 C ATOM 0 H ALA A 57 7.023 -7.246 7.131 1.00 0.00 H new ATOM 0 HA ALA A 57 7.804 -4.915 8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.840 -5.117 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.349 -6.685 7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.012 -6.315 6.073 1.00 0.00 H new ATOM 896 N TRP A 58 7.065 -4.469 5.296 1.00 0.00 N ATOM 897 CA TRP A 58 6.702 -3.455 4.313 1.00 0.00 C ATOM 898 C TRP A 58 5.718 -2.452 4.903 1.00 0.00 C ATOM 899 O TRP A 58 5.961 -1.245 4.886 1.00 0.00 O ATOM 900 CB TRP A 58 6.096 -4.113 3.072 1.00 0.00 C ATOM 901 CG TRP A 58 5.844 -3.149 1.952 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.726 -2.775 0.979 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.630 -2.436 1.692 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.134 -1.872 0.129 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.848 -1.648 0.544 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.380 -2.388 2.314 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.861 -0.823 0.010 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.403 -1.568 1.784 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.647 -0.795 0.641 1.00 0.00 C ATOM 0 H TRP A 58 7.059 -5.424 4.939 1.00 0.00 H new ATOM 0 HA TRP A 58 7.608 -2.921 4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.766 -4.898 2.722 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.157 -4.594 3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.740 -3.136 0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.580 -1.439 -0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.181 -2.982 3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.047 -0.227 -0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.434 -1.522 2.259 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.862 -0.165 0.250 1.00 0.00 H new ATOM 920 N PHE A 59 4.605 -2.957 5.425 1.00 0.00 N ATOM 921 CA PHE A 59 3.584 -2.104 6.021 1.00 0.00 C ATOM 922 C PHE A 59 4.199 -1.149 7.039 1.00 0.00 C ATOM 923 O PHE A 59 4.154 0.071 6.871 1.00 0.00 O ATOM 924 CB PHE A 59 2.504 -2.956 6.691 1.00 0.00 C ATOM 925 CG PHE A 59 1.468 -3.473 5.733 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.837 -4.246 4.644 1.00 0.00 C ATOM 927 CD2 PHE A 59 0.126 -3.187 5.923 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.886 -4.722 3.762 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.830 -3.660 5.044 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.449 -4.430 3.962 1.00 0.00 C ATOM 0 H PHE A 59 4.387 -3.953 5.447 1.00 0.00 H new ATOM 0 HA PHE A 59 3.129 -1.514 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.977 -3.800 7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.011 -2.363 7.462 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.879 -4.479 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.177 -2.587 6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.187 -5.322 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.873 -3.428 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.193 -4.803 3.274 1.00 0.00 H new ATOM 940 N THR A 60 4.772 -1.712 8.098 1.00 0.00 N ATOM 941 CA THR A 60 5.395 -0.912 9.146 1.00 0.00 C ATOM 942 C THR A 60 6.338 0.130 8.555 1.00 0.00 C ATOM 943 O THR A 60 6.497 1.218 9.105 1.00 0.00 O ATOM 944 CB THR A 60 6.179 -1.795 10.135 1.00 0.00 C ATOM 945 OG1 THR A 60 5.302 -2.756 10.734 1.00 0.00 O ATOM 946 CG2 THR A 60 6.827 -0.947 11.220 1.00 0.00 C ATOM 0 H THR A 60 4.818 -2.719 8.253 1.00 0.00 H new ATOM 0 HA THR A 60 4.590 -0.408 9.680 1.00 0.00 H new ATOM 0 HB THR A 60 6.963 -2.313 9.583 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.808 -3.315 11.360 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.375 -1.592 11.907 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.515 -0.235 10.763 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.056 -0.406 11.768 1.00 0.00 H new ATOM 954 N GLU A 61 6.961 -0.212 7.431 1.00 0.00 N ATOM 955 CA GLU A 61 7.889 0.695 6.766 1.00 0.00 C ATOM 956 C GLU A 61 7.142 1.859 6.119 1.00 0.00 C ATOM 957 O GLU A 61 7.499 3.022 6.308 1.00 0.00 O ATOM 958 CB GLU A 61 8.701 -0.055 5.708 1.00 0.00 C ATOM 959 CG GLU A 61 9.028 0.784 4.484 1.00 0.00 C ATOM 960 CD GLU A 61 10.363 0.418 3.866 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.458 -0.673 3.264 1.00 0.00 O ATOM 962 OE2 GLU A 61 11.312 1.220 3.984 1.00 0.00 O ATOM 0 H GLU A 61 6.840 -1.110 6.963 1.00 0.00 H new ATOM 0 HA GLU A 61 8.569 1.095 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.630 -0.406 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.145 -0.939 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.241 0.658 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.037 1.838 4.762 1.00 0.00 H new ATOM 969 N LYS A 62 6.105 1.537 5.355 1.00 0.00 N ATOM 970 CA LYS A 62 5.306 2.553 4.680 1.00 0.00 C ATOM 971 C LYS A 62 4.879 3.646 5.654 1.00 0.00 C ATOM 972 O LYS A 62 4.919 4.833 5.329 1.00 0.00 O ATOM 973 CB LYS A 62 4.071 1.917 4.037 1.00 0.00 C ATOM 974 CG LYS A 62 3.597 2.637 2.787 1.00 0.00 C ATOM 975 CD LYS A 62 4.444 2.274 1.579 1.00 0.00 C ATOM 976 CE LYS A 62 3.634 2.333 0.292 1.00 0.00 C ATOM 977 NZ LYS A 62 4.504 2.262 -0.914 1.00 0.00 N ATOM 0 H LYS A 62 5.797 0.579 5.187 1.00 0.00 H new ATOM 0 HA LYS A 62 5.921 3.005 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.296 0.880 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.261 1.900 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.555 2.382 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.636 3.714 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.291 2.957 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.852 1.272 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.920 1.509 0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.056 3.257 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.912 2.169 -1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.074 3.129 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.135 1.438 -0.839 1.00 0.00 H new ATOM 991 N LYS A 63 4.473 3.238 6.852 1.00 0.00 N ATOM 992 CA LYS A 63 4.041 4.182 7.876 1.00 0.00 C ATOM 993 C LYS A 63 4.923 5.427 7.875 1.00 0.00 C ATOM 994 O LYS A 63 4.434 6.547 8.020 1.00 0.00 O ATOM 995 CB LYS A 63 4.075 3.521 9.255 1.00 0.00 C ATOM 996 CG LYS A 63 2.865 2.649 9.542 1.00 0.00 C ATOM 997 CD LYS A 63 2.882 2.122 10.967 1.00 0.00 C ATOM 998 CE LYS A 63 1.898 0.976 11.150 1.00 0.00 C ATOM 999 NZ LYS A 63 2.045 0.326 12.481 1.00 0.00 N ATOM 0 H LYS A 63 4.434 2.260 7.137 1.00 0.00 H new ATOM 0 HA LYS A 63 3.018 4.483 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.977 2.914 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.143 4.296 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.954 3.224 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.845 1.812 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.887 1.784 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.635 2.929 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.880 1.350 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.053 0.236 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.357 -0.449 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.008 -0.054 12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.872 1.026 13.230 1.00 0.00 H new ATOM 1013 N LYS A 64 6.225 5.223 7.709 1.00 0.00 N ATOM 1014 CA LYS A 64 7.176 6.328 7.687 1.00 0.00 C ATOM 1015 C LYS A 64 6.967 7.201 6.454 1.00 0.00 C ATOM 1016 O LYS A 64 6.833 8.420 6.560 1.00 0.00 O ATOM 1017 CB LYS A 64 8.610 5.795 7.709 1.00 0.00 C ATOM 1018 CG LYS A 64 8.893 4.859 8.872 1.00 0.00 C ATOM 1019 CD LYS A 64 10.291 4.270 8.786 1.00 0.00 C ATOM 1020 CE LYS A 64 10.526 3.231 9.872 1.00 0.00 C ATOM 1021 NZ LYS A 64 11.070 3.843 11.116 1.00 0.00 N ATOM 0 H LYS A 64 6.646 4.302 7.588 1.00 0.00 H new ATOM 0 HA LYS A 64 7.007 6.937 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.808 5.270 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.301 6.637 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.783 5.401 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.158 4.054 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.435 3.813 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.029 5.067 8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.589 2.723 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.220 2.474 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.216 3.103 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.977 4.307 10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.397 4.548 11.479 1.00 0.00 H new ATOM 1035 N SER A 65 6.937 6.569 5.285 1.00 0.00 N ATOM 1036 CA SER A 65 6.746 7.289 4.031 1.00 0.00 C ATOM 1037 C SER A 65 5.580 8.267 4.138 1.00 0.00 C ATOM 1038 O SER A 65 5.596 9.340 3.535 1.00 0.00 O ATOM 1039 CB SER A 65 6.498 6.305 2.886 1.00 0.00 C ATOM 1040 OG SER A 65 5.166 5.821 2.909 1.00 0.00 O ATOM 0 H SER A 65 7.042 5.560 5.180 1.00 0.00 H new ATOM 0 HA SER A 65 7.654 7.855 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.694 6.795 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.193 5.469 2.964 1.00 0.00 H new ATOM 0 HG SER A 65 5.039 5.249 3.694 1.00 0.00 H new ATOM 1046 N LYS A 66 4.568 7.888 4.911 1.00 0.00 N ATOM 1047 CA LYS A 66 3.392 8.729 5.101 1.00 0.00 C ATOM 1048 C LYS A 66 3.792 10.125 5.567 1.00 0.00 C ATOM 1049 O LYS A 66 3.191 11.120 5.163 1.00 0.00 O ATOM 1050 CB LYS A 66 2.443 8.093 6.118 1.00 0.00 C ATOM 1051 CG LYS A 66 1.012 8.590 6.009 1.00 0.00 C ATOM 1052 CD LYS A 66 0.252 7.866 4.910 1.00 0.00 C ATOM 1053 CE LYS A 66 -1.205 8.301 4.860 1.00 0.00 C ATOM 1054 NZ LYS A 66 -1.389 9.532 4.044 1.00 0.00 N ATOM 0 H LYS A 66 4.539 7.003 5.417 1.00 0.00 H new ATOM 0 HA LYS A 66 2.881 8.817 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.454 7.011 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.813 8.295 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.502 8.445 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.012 9.661 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.725 8.064 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.306 6.790 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.810 7.496 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.565 8.480 5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.395 9.795 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.832 10.308 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.069 9.354 3.071 1.00 0.00 H new ATOM 1068 N ALA A 67 4.811 10.191 6.418 1.00 0.00 N ATOM 1069 CA ALA A 67 5.293 11.465 6.936 1.00 0.00 C ATOM 1070 C ALA A 67 5.322 12.527 5.841 1.00 0.00 C ATOM 1071 O ALA A 67 4.739 13.602 5.989 1.00 0.00 O ATOM 1072 CB ALA A 67 6.676 11.297 7.548 1.00 0.00 C ATOM 0 H ALA A 67 5.319 9.376 6.763 1.00 0.00 H new ATOM 0 HA ALA A 67 4.603 11.798 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.023 12.257 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.627 10.577 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.369 10.937 6.788 1.00 0.00 H new ATOM 1078 N LEU A 68 6.005 12.220 4.744 1.00 0.00 N ATOM 1079 CA LEU A 68 6.111 13.148 3.624 1.00 0.00 C ATOM 1080 C LEU A 68 4.769 13.815 3.341 1.00 0.00 C ATOM 1081 O LEU A 68 3.732 13.153 3.293 1.00 0.00 O ATOM 1082 CB LEU A 68 6.604 12.416 2.374 1.00 0.00 C ATOM 1083 CG LEU A 68 5.558 11.590 1.624 1.00 0.00 C ATOM 1084 CD1 LEU A 68 4.742 12.478 0.697 1.00 0.00 C ATOM 1085 CD2 LEU A 68 6.226 10.469 0.841 1.00 0.00 C ATOM 0 H LEU A 68 6.494 11.335 4.606 1.00 0.00 H new ATOM 0 HA LEU A 68 6.831 13.921 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.018 13.153 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.421 11.755 2.663 1.00 0.00 H new ATOM 0 HG LEU A 68 4.882 11.144 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.003 11.873 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.234 13.245 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.404 12.953 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.467 9.891 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.924 10.895 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.766 9.817 1.528 1.00 0.00 H new ATOM 1097 N LYS A 69 4.796 15.130 3.151 1.00 0.00 N ATOM 1098 CA LYS A 69 3.582 15.888 2.868 1.00 0.00 C ATOM 1099 C LYS A 69 2.546 15.685 3.968 1.00 0.00 C ATOM 1100 O LYS A 69 1.360 15.506 3.690 1.00 0.00 O ATOM 1101 CB LYS A 69 2.998 15.468 1.518 1.00 0.00 C ATOM 1102 CG LYS A 69 2.097 16.519 0.892 1.00 0.00 C ATOM 1103 CD LYS A 69 1.115 15.900 -0.088 1.00 0.00 C ATOM 1104 CE LYS A 69 -0.083 15.295 0.629 1.00 0.00 C ATOM 1105 NZ LYS A 69 -1.048 16.339 1.073 1.00 0.00 N ATOM 0 H LYS A 69 5.646 15.693 3.188 1.00 0.00 H new ATOM 0 HA LYS A 69 3.843 16.946 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.815 15.246 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.431 14.546 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.549 17.043 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.706 17.262 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.774 16.660 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.619 15.129 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.587 14.593 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.260 14.726 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.903 15.883 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.611 16.923 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.304 16.941 0.265 1.00 0.00 H new ATOM 1119 N GLU A 70 3.000 15.715 5.217 1.00 0.00 N ATOM 1120 CA GLU A 70 2.110 15.535 6.358 1.00 0.00 C ATOM 1121 C GLU A 70 0.776 16.238 6.123 1.00 0.00 C ATOM 1122 O GLU A 70 0.738 17.404 5.734 1.00 0.00 O ATOM 1123 CB GLU A 70 2.764 16.072 7.633 1.00 0.00 C ATOM 1124 CG GLU A 70 2.942 17.581 7.637 1.00 0.00 C ATOM 1125 CD GLU A 70 3.938 18.049 8.680 1.00 0.00 C ATOM 1126 OE1 GLU A 70 3.555 18.150 9.864 1.00 0.00 O ATOM 1127 OE2 GLU A 70 5.102 18.312 8.312 1.00 0.00 O ATOM 0 H GLU A 70 3.979 15.862 5.464 1.00 0.00 H new ATOM 0 HA GLU A 70 1.923 14.468 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.157 15.784 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.738 15.599 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.274 17.906 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.978 18.056 7.821 1.00 0.00 H new ATOM 1134 N GLU A 71 -0.315 15.517 6.363 1.00 0.00 N ATOM 1135 CA GLU A 71 -1.651 16.071 6.176 1.00 0.00 C ATOM 1136 C GLU A 71 -1.955 17.128 7.234 1.00 0.00 C ATOM 1137 O GLU A 71 -2.465 18.205 6.923 1.00 0.00 O ATOM 1138 CB GLU A 71 -2.701 14.959 6.235 1.00 0.00 C ATOM 1139 CG GLU A 71 -4.131 15.469 6.190 1.00 0.00 C ATOM 1140 CD GLU A 71 -5.130 14.454 6.711 1.00 0.00 C ATOM 1141 OE1 GLU A 71 -4.933 13.246 6.458 1.00 0.00 O ATOM 1142 OE2 GLU A 71 -6.107 14.866 7.369 1.00 0.00 O ATOM 0 H GLU A 71 -0.300 14.550 6.687 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.686 16.543 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.542 14.276 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.558 14.384 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.206 16.382 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.387 15.731 5.163 1.00 0.00 H new ATOM 1149 N LYS A 72 -1.638 16.813 8.485 1.00 0.00 N ATOM 1150 CA LYS A 72 -1.875 17.734 9.590 1.00 0.00 C ATOM 1151 C LYS A 72 -0.812 18.827 9.624 1.00 0.00 C ATOM 1152 O LYS A 72 0.318 18.621 9.183 1.00 0.00 O ATOM 1153 CB LYS A 72 -1.885 16.976 10.920 1.00 0.00 C ATOM 1154 CG LYS A 72 -0.570 16.286 11.236 1.00 0.00 C ATOM 1155 CD LYS A 72 -0.749 15.195 12.279 1.00 0.00 C ATOM 1156 CE LYS A 72 0.558 14.470 12.558 1.00 0.00 C ATOM 1157 NZ LYS A 72 0.329 13.084 13.051 1.00 0.00 N ATOM 0 H LYS A 72 -1.216 15.926 8.759 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.848 18.202 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.123 17.673 11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.681 16.231 10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.156 15.855 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.150 17.021 11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.128 15.632 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.496 14.480 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.157 14.437 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.132 15.028 13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.244 12.623 13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.221 13.116 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.197 12.543 12.335 1.00 0.00 H new ATOM 1171 N MET A 73 -1.183 19.990 10.152 1.00 0.00 N ATOM 1172 CA MET A 73 -0.259 21.114 10.246 1.00 0.00 C ATOM 1173 C MET A 73 -0.578 21.980 11.461 1.00 0.00 C ATOM 1174 O MET A 73 -1.572 21.753 12.151 1.00 0.00 O ATOM 1175 CB MET A 73 -0.321 21.960 8.973 1.00 0.00 C ATOM 1176 CG MET A 73 0.368 21.316 7.781 1.00 0.00 C ATOM 1177 SD MET A 73 2.166 21.375 7.902 1.00 0.00 S ATOM 1178 CE MET A 73 2.600 21.888 6.242 1.00 0.00 C ATOM 0 H MET A 73 -2.115 20.178 10.520 1.00 0.00 H new ATOM 0 HA MET A 73 0.749 20.715 10.360 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.365 22.147 8.721 1.00 0.00 H new ATOM 0 HB3 MET A 73 0.138 22.929 9.168 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.047 20.278 7.698 1.00 0.00 H new ATOM 0 HG3 MET A 73 0.053 21.821 6.868 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.684 21.970 6.158 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.235 21.151 5.526 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.146 22.856 6.030 1.00 0.00 H new ATOM 1188 N GLU A 74 0.271 22.970 11.716 1.00 0.00 N ATOM 1189 CA GLU A 74 0.078 23.868 12.849 1.00 0.00 C ATOM 1190 C GLU A 74 -0.917 24.972 12.506 1.00 0.00 C ATOM 1191 O GLU A 74 -0.626 25.856 11.699 1.00 0.00 O ATOM 1192 CB GLU A 74 1.413 24.483 13.273 1.00 0.00 C ATOM 1193 CG GLU A 74 1.444 24.927 14.726 1.00 0.00 C ATOM 1194 CD GLU A 74 1.253 23.775 15.693 1.00 0.00 C ATOM 1195 OE1 GLU A 74 2.226 23.027 15.924 1.00 0.00 O ATOM 1196 OE2 GLU A 74 0.130 23.620 16.217 1.00 0.00 O ATOM 0 H GLU A 74 1.098 23.171 11.154 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.325 23.285 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.208 23.756 13.107 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.627 25.340 12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.396 25.415 14.932 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.663 25.669 14.892 1.00 0.00 H new ATOM 1203 N ILE A 75 -2.093 24.914 13.122 1.00 0.00 N ATOM 1204 CA ILE A 75 -3.131 25.908 12.882 1.00 0.00 C ATOM 1205 C ILE A 75 -3.655 26.484 14.194 1.00 0.00 C ATOM 1206 O ILE A 75 -3.925 25.747 15.142 1.00 0.00 O ATOM 1207 CB ILE A 75 -4.309 25.312 12.089 1.00 0.00 C ATOM 1208 CG1 ILE A 75 -3.810 24.686 10.786 1.00 0.00 C ATOM 1209 CG2 ILE A 75 -5.352 26.383 11.804 1.00 0.00 C ATOM 1210 CD1 ILE A 75 -3.075 25.659 9.891 1.00 0.00 C ATOM 0 H ILE A 75 -2.350 24.189 13.791 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.675 26.705 12.295 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.774 24.531 12.690 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.149 23.852 11.023 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.660 24.274 10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.178 25.946 11.243 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.726 26.787 12.745 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.900 27.184 11.220 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.750 25.146 8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.739 26.481 9.624 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.205 26.052 10.418 1.00 0.00 H new ATOM 1222 N ASP A 76 -3.797 27.804 14.239 1.00 0.00 N ATOM 1223 CA ASP A 76 -4.291 28.479 15.433 1.00 0.00 C ATOM 1224 C ASP A 76 -5.817 28.488 15.460 1.00 0.00 C ATOM 1225 O ASP A 76 -6.461 28.929 14.509 1.00 0.00 O ATOM 1226 CB ASP A 76 -3.760 29.912 15.492 1.00 0.00 C ATOM 1227 CG ASP A 76 -4.145 30.620 16.776 1.00 0.00 C ATOM 1228 OD1 ASP A 76 -5.250 30.351 17.293 1.00 0.00 O ATOM 1229 OD2 ASP A 76 -3.343 31.444 17.263 1.00 0.00 O ATOM 0 H ASP A 76 -3.577 28.428 13.462 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.933 27.931 16.304 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.674 29.898 15.400 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.145 30.474 14.641 1.00 0.00 H new ATOM 1234 N GLU A 77 -6.387 27.997 16.556 1.00 0.00 N ATOM 1235 CA GLU A 77 -7.836 27.946 16.705 1.00 0.00 C ATOM 1236 C GLU A 77 -8.224 27.626 18.146 1.00 0.00 C ATOM 1237 O GLU A 77 -7.609 26.778 18.792 1.00 0.00 O ATOM 1238 CB GLU A 77 -8.433 26.902 15.760 1.00 0.00 C ATOM 1239 CG GLU A 77 -8.098 25.470 16.145 1.00 0.00 C ATOM 1240 CD GLU A 77 -8.434 24.477 15.050 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -9.358 24.759 14.258 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -7.774 23.419 14.985 1.00 0.00 O ATOM 0 H GLU A 77 -5.867 27.629 17.353 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.236 28.927 16.449 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.516 27.020 15.740 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.073 27.091 14.749 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.036 25.400 16.380 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.643 25.204 17.051 1.00 0.00 H new ATOM 1249 N SER A 78 -9.250 28.310 18.643 1.00 0.00 N ATOM 1250 CA SER A 78 -9.718 28.102 20.008 1.00 0.00 C ATOM 1251 C SER A 78 -10.290 26.698 20.178 1.00 0.00 C ATOM 1252 O SER A 78 -10.408 25.943 19.214 1.00 0.00 O ATOM 1253 CB SER A 78 -10.778 29.144 20.371 1.00 0.00 C ATOM 1254 OG SER A 78 -11.933 28.998 19.564 1.00 0.00 O ATOM 0 H SER A 78 -9.773 29.013 18.120 1.00 0.00 H new ATOM 0 HA SER A 78 -8.866 28.212 20.679 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.049 29.041 21.422 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.366 30.145 20.245 1.00 0.00 H new ATOM 0 HG SER A 78 -12.596 29.674 19.816 1.00 0.00 H new ATOM 1260 N ASN A 79 -10.643 26.355 21.413 1.00 0.00 N ATOM 1261 CA ASN A 79 -11.203 25.042 21.711 1.00 0.00 C ATOM 1262 C ASN A 79 -12.084 25.095 22.955 1.00 0.00 C ATOM 1263 O ASN A 79 -12.002 26.034 23.747 1.00 0.00 O ATOM 1264 CB ASN A 79 -10.081 24.020 21.911 1.00 0.00 C ATOM 1265 CG ASN A 79 -9.274 24.286 23.167 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -9.749 24.066 24.282 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -8.047 24.762 22.993 1.00 0.00 N ATOM 0 H ASN A 79 -10.551 26.968 22.223 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.818 24.737 20.865 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.510 23.019 21.963 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.418 24.038 21.046 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.457 24.960 23.801 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.694 24.929 22.051 1.00 0.00 H new ATOM 1274 N ALA A 80 -12.928 24.082 23.120 1.00 0.00 N ATOM 1275 CA ALA A 80 -13.823 24.012 24.268 1.00 0.00 C ATOM 1276 C ALA A 80 -14.553 22.674 24.314 1.00 0.00 C ATOM 1277 O ALA A 80 -14.491 21.889 23.369 1.00 0.00 O ATOM 1278 CB ALA A 80 -14.822 25.159 24.229 1.00 0.00 C ATOM 0 H ALA A 80 -13.011 23.298 22.473 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.221 24.099 25.173 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.484 25.094 25.092 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.287 26.108 24.252 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -15.411 25.097 23.314 1.00 0.00 H new ATOM 1284 N GLY A 81 -15.244 22.420 25.422 1.00 0.00 N ATOM 1285 CA GLY A 81 -15.975 21.175 25.571 1.00 0.00 C ATOM 1286 C GLY A 81 -16.832 21.152 26.821 1.00 0.00 C ATOM 1287 O GLY A 81 -17.568 22.100 27.095 1.00 0.00 O ATOM 0 H GLY A 81 -15.310 23.054 26.218 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.608 21.022 24.697 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.270 20.345 25.602 1.00 0.00 H new ATOM 1291 N SER A 82 -16.738 20.065 27.581 1.00 0.00 N ATOM 1292 CA SER A 82 -17.515 19.920 28.806 1.00 0.00 C ATOM 1293 C SER A 82 -16.916 18.842 29.704 1.00 0.00 C ATOM 1294 O SER A 82 -16.304 17.888 29.224 1.00 0.00 O ATOM 1295 CB SER A 82 -18.968 19.576 28.476 1.00 0.00 C ATOM 1296 OG SER A 82 -19.057 18.334 27.798 1.00 0.00 O ATOM 0 H SER A 82 -16.132 19.272 27.370 1.00 0.00 H new ATOM 0 HA SER A 82 -17.487 20.870 29.340 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.553 19.535 29.395 1.00 0.00 H new ATOM 0 HB3 SER A 82 -19.400 20.363 27.858 1.00 0.00 H new ATOM 0 HG SER A 82 -19.996 18.136 27.600 1.00 0.00 H new ATOM 1302 N SER A 83 -17.098 19.001 31.011 1.00 0.00 N ATOM 1303 CA SER A 83 -16.573 18.044 31.978 1.00 0.00 C ATOM 1304 C SER A 83 -17.700 17.437 32.808 1.00 0.00 C ATOM 1305 O SER A 83 -18.865 17.803 32.655 1.00 0.00 O ATOM 1306 CB SER A 83 -15.555 18.722 32.898 1.00 0.00 C ATOM 1307 OG SER A 83 -16.199 19.565 33.838 1.00 0.00 O ATOM 0 H SER A 83 -17.605 19.783 31.425 1.00 0.00 H new ATOM 0 HA SER A 83 -16.078 17.244 31.428 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.973 17.964 33.423 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.854 19.306 32.302 1.00 0.00 H new ATOM 0 HG SER A 83 -15.527 19.985 34.415 1.00 0.00 H new ATOM 1313 N SER A 84 -17.343 16.507 33.688 1.00 0.00 N ATOM 1314 CA SER A 84 -18.323 15.845 34.540 1.00 0.00 C ATOM 1315 C SER A 84 -17.691 15.408 35.858 1.00 0.00 C ATOM 1316 O SER A 84 -16.481 15.521 36.046 1.00 0.00 O ATOM 1317 CB SER A 84 -18.920 14.633 33.821 1.00 0.00 C ATOM 1318 OG SER A 84 -20.201 14.315 34.336 1.00 0.00 O ATOM 0 H SER A 84 -16.382 16.195 33.829 1.00 0.00 H new ATOM 0 HA SER A 84 -19.118 16.558 34.757 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.995 14.840 32.753 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.256 13.776 33.934 1.00 0.00 H new ATOM 0 HG SER A 84 -20.562 13.539 33.859 1.00 0.00 H new ATOM 1324 N GLY A 85 -18.521 14.907 36.768 1.00 0.00 N ATOM 1325 CA GLY A 85 -18.026 14.460 38.058 1.00 0.00 C ATOM 1326 C GLY A 85 -19.047 13.637 38.817 1.00 0.00 C ATOM 1327 O GLY A 85 -19.771 14.143 39.674 1.00 0.00 O ATOM 0 H GLY A 85 -19.527 14.803 36.635 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.123 13.868 37.912 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.745 15.327 38.656 1.00 0.00 H new ATOM 1331 N PRO A 86 -19.116 12.335 38.501 1.00 0.00 N ATOM 1332 CA PRO A 86 -20.053 11.412 39.148 1.00 0.00 C ATOM 1333 C PRO A 86 -19.688 11.141 40.604 1.00 0.00 C ATOM 1334 O PRO A 86 -18.637 11.568 41.080 1.00 0.00 O ATOM 1335 CB PRO A 86 -19.923 10.133 38.317 1.00 0.00 C ATOM 1336 CG PRO A 86 -18.557 10.204 37.725 1.00 0.00 C ATOM 1337 CD PRO A 86 -18.283 11.663 37.489 1.00 0.00 C ATOM 0 HA PRO A 86 -21.065 11.815 39.179 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -20.040 9.244 38.937 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -20.688 10.084 37.542 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.817 9.772 38.399 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.506 9.642 36.793 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -17.227 11.899 37.617 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.557 11.965 36.478 1.00 0.00 H new ATOM 1345 N SER A 87 -20.564 10.428 41.305 1.00 0.00 N ATOM 1346 CA SER A 87 -20.335 10.102 42.708 1.00 0.00 C ATOM 1347 C SER A 87 -21.331 9.053 43.192 1.00 0.00 C ATOM 1348 O SER A 87 -22.499 9.064 42.803 1.00 0.00 O ATOM 1349 CB SER A 87 -20.444 11.361 43.570 1.00 0.00 C ATOM 1350 OG SER A 87 -20.359 11.045 44.949 1.00 0.00 O ATOM 0 H SER A 87 -21.438 10.065 40.925 1.00 0.00 H new ATOM 0 HA SER A 87 -19.329 9.692 42.801 1.00 0.00 H new ATOM 0 HB2 SER A 87 -19.649 12.057 43.304 1.00 0.00 H new ATOM 0 HB3 SER A 87 -21.390 11.864 43.367 1.00 0.00 H new ATOM 0 HG SER A 87 -20.430 11.867 45.478 1.00 0.00 H new ATOM 1356 N SER A 88 -20.861 8.147 44.044 1.00 0.00 N ATOM 1357 CA SER A 88 -21.708 7.088 44.579 1.00 0.00 C ATOM 1358 C SER A 88 -21.348 6.786 46.030 1.00 0.00 C ATOM 1359 O SER A 88 -20.187 6.541 46.356 1.00 0.00 O ATOM 1360 CB SER A 88 -21.572 5.821 43.733 1.00 0.00 C ATOM 1361 OG SER A 88 -20.248 5.316 43.779 1.00 0.00 O ATOM 0 H SER A 88 -19.898 8.126 44.378 1.00 0.00 H new ATOM 0 HA SER A 88 -22.742 7.430 44.543 1.00 0.00 H new ATOM 0 HB2 SER A 88 -22.267 5.063 44.094 1.00 0.00 H new ATOM 0 HB3 SER A 88 -21.846 6.038 42.701 1.00 0.00 H new ATOM 0 HG SER A 88 -19.827 5.579 44.624 1.00 0.00 H new ATOM 1367 N GLY A 89 -22.355 6.804 46.899 1.00 0.00 N ATOM 1368 CA GLY A 89 -22.125 6.530 48.306 1.00 0.00 C ATOM 1369 C GLY A 89 -21.954 7.796 49.122 1.00 0.00 C ATOM 1370 O GLY A 89 -21.061 8.600 48.853 1.00 0.00 O ATOM 0 H GLY A 89 -23.325 7.003 46.654 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -22.962 5.956 48.703 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -21.235 5.910 48.412 1.00 0.00 H new TER 1374 GLY A 89