USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 CYS SG : rot 170:sc= -6.01! USER MOD Set 1.2: A 51 THR OG1 : rot 82:sc= 0.959 USER MOD Set 2.1: A 18 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 21 GLN : amide:sc= 1.01 K(o=2.2,f=-5.9) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -151:sc= 0.169 (180deg=0.118) USER MOD Set 3.2: A 78 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0227 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.211 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= 0.0757 (180deg=-0.219) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 16 ASN : amide:sc= -0.0271 K(o=-0.027,f=-0.53) USER MOD Single : A 20 THR OG1 : rot -85:sc= 0.995 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0245) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -162:sc= -2.75! USER MOD Single : A 50 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0.0042) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.8!) USER MOD Single : A 59 SER OG : rot 160:sc= -0.198 USER MOD Single : A 60 GLN : amide:sc=-0.00859 X(o=-0.0086,f=0) USER MOD Single : A 66 THR OG1 : rot 123:sc= -0.0196 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -2.76! USER MOD Single : A 70 ASN : amide:sc= -0.0377 X(o=-0.038,f=-0.18) USER MOD Single : A 80 MET CE :methyl -136:sc= -0.0497 (180deg=-1.06) USER MOD Single : A 83 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.01) USER MOD Single : A 86 SER OG : rot -79:sc= 0.299 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 30:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.554 -23.837 5.829 1.00 0.00 N ATOM 2 CA GLY A 1 5.442 -23.038 7.037 1.00 0.00 C ATOM 3 C GLY A 1 4.549 -23.728 8.070 1.00 0.00 C ATOM 4 O GLY A 1 4.541 -24.954 8.169 1.00 0.00 O ATOM 0 H1 GLY A 1 6.536 -23.813 5.487 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.284 -24.820 6.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.923 -23.451 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.433 -22.872 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.031 -22.058 6.793 1.00 0.00 H new ATOM 8 N SER A 2 3.819 -22.910 8.814 1.00 0.00 N ATOM 9 CA SER A 2 2.925 -23.426 9.836 1.00 0.00 C ATOM 10 C SER A 2 2.001 -24.487 9.236 1.00 0.00 C ATOM 11 O SER A 2 1.985 -25.630 9.690 1.00 0.00 O ATOM 12 CB SER A 2 2.101 -22.301 10.467 1.00 0.00 C ATOM 13 OG SER A 2 2.523 -22.012 11.797 1.00 0.00 O ATOM 0 H SER A 2 3.829 -21.894 8.729 1.00 0.00 H new ATOM 0 HA SER A 2 3.530 -23.881 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.187 -21.402 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.048 -22.583 10.474 1.00 0.00 H new ATOM 0 HG SER A 2 1.974 -21.288 12.164 1.00 0.00 H new ATOM 19 N SER A 3 1.253 -24.072 8.224 1.00 0.00 N ATOM 20 CA SER A 3 0.329 -24.972 7.556 1.00 0.00 C ATOM 21 C SER A 3 1.035 -25.684 6.400 1.00 0.00 C ATOM 22 O SER A 3 1.926 -25.117 5.769 1.00 0.00 O ATOM 23 CB SER A 3 -0.901 -24.220 7.045 1.00 0.00 C ATOM 24 OG SER A 3 -1.607 -23.573 8.099 1.00 0.00 O ATOM 0 H SER A 3 1.268 -23.123 7.850 1.00 0.00 H new ATOM 0 HA SER A 3 -0.008 -25.714 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.592 -23.479 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.567 -24.917 6.537 1.00 0.00 H new ATOM 0 HG SER A 3 -2.384 -23.103 7.732 1.00 0.00 H new ATOM 30 N GLY A 4 0.610 -26.915 6.158 1.00 0.00 N ATOM 31 CA GLY A 4 1.190 -27.710 5.089 1.00 0.00 C ATOM 32 C GLY A 4 0.615 -27.305 3.730 1.00 0.00 C ATOM 33 O GLY A 4 -0.047 -28.104 3.069 1.00 0.00 O ATOM 0 H GLY A 4 -0.129 -27.382 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.272 -27.582 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.995 -28.767 5.270 1.00 0.00 H new ATOM 37 N SER A 5 0.889 -26.065 3.354 1.00 0.00 N ATOM 38 CA SER A 5 0.407 -25.544 2.086 1.00 0.00 C ATOM 39 C SER A 5 1.260 -24.350 1.652 1.00 0.00 C ATOM 40 O SER A 5 1.180 -23.276 2.246 1.00 0.00 O ATOM 41 CB SER A 5 -1.065 -25.136 2.181 1.00 0.00 C ATOM 42 OG SER A 5 -1.936 -26.171 1.731 1.00 0.00 O ATOM 0 H SER A 5 1.439 -25.406 3.905 1.00 0.00 H new ATOM 0 HA SER A 5 0.490 -26.334 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.305 -24.883 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.231 -24.238 1.586 1.00 0.00 H new ATOM 0 HG SER A 5 -1.588 -27.040 2.020 1.00 0.00 H new ATOM 48 N SER A 6 2.059 -24.579 0.619 1.00 0.00 N ATOM 49 CA SER A 6 2.926 -23.536 0.099 1.00 0.00 C ATOM 50 C SER A 6 2.632 -23.302 -1.384 1.00 0.00 C ATOM 51 O SER A 6 3.089 -24.059 -2.239 1.00 0.00 O ATOM 52 CB SER A 6 4.400 -23.897 0.297 1.00 0.00 C ATOM 53 OG SER A 6 4.704 -24.172 1.661 1.00 0.00 O ATOM 0 H SER A 6 2.124 -25.471 0.129 1.00 0.00 H new ATOM 0 HA SER A 6 2.726 -22.618 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.645 -24.768 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.025 -23.076 -0.055 1.00 0.00 H new ATOM 0 HG SER A 6 5.653 -24.400 1.745 1.00 0.00 H new ATOM 59 N GLY A 7 1.869 -22.250 -1.644 1.00 0.00 N ATOM 60 CA GLY A 7 1.508 -21.907 -3.009 1.00 0.00 C ATOM 61 C GLY A 7 1.584 -20.395 -3.233 1.00 0.00 C ATOM 62 O GLY A 7 0.983 -19.623 -2.487 1.00 0.00 O ATOM 0 H GLY A 7 1.491 -21.624 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.176 -22.415 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.499 -22.259 -3.222 1.00 0.00 H new ATOM 66 N GLU A 8 2.328 -20.018 -4.262 1.00 0.00 N ATOM 67 CA GLU A 8 2.490 -18.613 -4.593 1.00 0.00 C ATOM 68 C GLU A 8 1.190 -18.050 -5.172 1.00 0.00 C ATOM 69 O GLU A 8 0.931 -18.179 -6.367 1.00 0.00 O ATOM 70 CB GLU A 8 3.655 -18.409 -5.564 1.00 0.00 C ATOM 71 CG GLU A 8 4.985 -18.317 -4.812 1.00 0.00 C ATOM 72 CD GLU A 8 5.231 -16.895 -4.305 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.359 -16.400 -3.558 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.284 -16.334 -4.676 1.00 0.00 O ATOM 0 H GLU A 8 2.825 -20.661 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 8 2.723 -18.069 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.691 -19.235 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.496 -17.499 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.980 -19.011 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.800 -18.619 -5.470 1.00 0.00 H new ATOM 81 N LYS A 9 0.407 -17.438 -4.296 1.00 0.00 N ATOM 82 CA LYS A 9 -0.860 -16.855 -4.705 1.00 0.00 C ATOM 83 C LYS A 9 -0.836 -15.350 -4.431 1.00 0.00 C ATOM 84 O LYS A 9 -1.675 -14.836 -3.693 1.00 0.00 O ATOM 85 CB LYS A 9 -2.026 -17.583 -4.033 1.00 0.00 C ATOM 86 CG LYS A 9 -2.019 -19.072 -4.386 1.00 0.00 C ATOM 87 CD LYS A 9 -3.215 -19.790 -3.757 1.00 0.00 C ATOM 88 CE LYS A 9 -3.022 -19.958 -2.249 1.00 0.00 C ATOM 89 NZ LYS A 9 -1.967 -20.956 -1.969 1.00 0.00 N ATOM 0 H LYS A 9 0.625 -17.333 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.009 -16.982 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.961 -17.462 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.969 -17.135 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.046 -19.193 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.092 -19.528 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.126 -19.224 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.343 -20.767 -4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.753 -19.001 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.959 -20.272 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.051 -21.284 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.074 -21.765 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.032 -20.522 -2.110 1.00 0.00 H new ATOM 103 N THR A 10 0.135 -14.685 -5.041 1.00 0.00 N ATOM 104 CA THR A 10 0.280 -13.249 -4.873 1.00 0.00 C ATOM 105 C THR A 10 0.120 -12.536 -6.217 1.00 0.00 C ATOM 106 O THR A 10 0.429 -13.102 -7.264 1.00 0.00 O ATOM 107 CB THR A 10 1.629 -12.986 -4.201 1.00 0.00 C ATOM 108 OG1 THR A 10 2.505 -13.940 -4.795 1.00 0.00 O ATOM 109 CG2 THR A 10 1.626 -13.355 -2.716 1.00 0.00 C ATOM 0 H THR A 10 0.829 -15.115 -5.652 1.00 0.00 H new ATOM 0 HA THR A 10 -0.503 -12.844 -4.232 1.00 0.00 H new ATOM 0 HB THR A 10 1.890 -11.934 -4.312 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.404 -13.839 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.607 -13.149 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.872 -12.765 -2.196 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.397 -14.415 -2.605 1.00 0.00 H new ATOM 117 N VAL A 11 -0.362 -11.304 -6.143 1.00 0.00 N ATOM 118 CA VAL A 11 -0.566 -10.507 -7.341 1.00 0.00 C ATOM 119 C VAL A 11 0.472 -9.384 -7.385 1.00 0.00 C ATOM 120 O VAL A 11 0.962 -8.947 -6.345 1.00 0.00 O ATOM 121 CB VAL A 11 -2.006 -9.992 -7.388 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.997 -11.149 -7.536 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.328 -9.150 -6.152 1.00 0.00 C ATOM 0 H VAL A 11 -0.617 -10.838 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.423 -11.116 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.104 -9.352 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.013 -10.756 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.789 -11.690 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.895 -11.826 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.357 -8.796 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.203 -9.757 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.653 -8.295 -6.108 1.00 0.00 H new ATOM 133 N ARG A 12 0.776 -8.950 -8.599 1.00 0.00 N ATOM 134 CA ARG A 12 1.747 -7.886 -8.791 1.00 0.00 C ATOM 135 C ARG A 12 1.094 -6.522 -8.558 1.00 0.00 C ATOM 136 O ARG A 12 0.165 -6.145 -9.270 1.00 0.00 O ATOM 137 CB ARG A 12 2.335 -7.927 -10.203 1.00 0.00 C ATOM 138 CG ARG A 12 3.511 -8.903 -10.279 1.00 0.00 C ATOM 139 CD ARG A 12 4.204 -8.823 -11.641 1.00 0.00 C ATOM 140 NE ARG A 12 4.966 -10.066 -11.896 1.00 0.00 N ATOM 141 CZ ARG A 12 6.138 -10.360 -11.318 1.00 0.00 C ATOM 142 NH1 ARG A 12 6.691 -9.503 -10.449 1.00 0.00 N ATOM 143 NH2 ARG A 12 6.758 -11.511 -11.609 1.00 0.00 N ATOM 0 H ARG A 12 0.367 -9.315 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 12 2.550 -8.036 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.564 -8.225 -10.913 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.666 -6.930 -10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.227 -8.677 -9.489 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.156 -9.919 -10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.463 -8.673 -12.427 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.874 -7.964 -11.667 1.00 0.00 H new ATOM 0 HE ARG A 12 4.574 -10.741 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.219 -8.626 -10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.584 -9.728 -10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.338 -12.164 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.651 -11.735 -11.169 1.00 0.00 H new ATOM 157 N VAL A 13 1.605 -5.821 -7.557 1.00 0.00 N ATOM 158 CA VAL A 13 1.083 -4.507 -7.220 1.00 0.00 C ATOM 159 C VAL A 13 2.122 -3.443 -7.579 1.00 0.00 C ATOM 160 O VAL A 13 3.319 -3.648 -7.383 1.00 0.00 O ATOM 161 CB VAL A 13 0.672 -4.469 -5.747 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.336 -3.042 -5.309 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.500 -5.415 -5.480 1.00 0.00 C ATOM 0 H VAL A 13 2.375 -6.138 -6.968 1.00 0.00 H new ATOM 0 HA VAL A 13 0.185 -4.293 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 13 1.520 -4.811 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.047 -3.043 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.210 -2.405 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.488 -2.661 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.772 -5.369 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.354 -5.117 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.210 -6.434 -5.735 1.00 0.00 H new ATOM 173 N VAL A 14 1.626 -2.329 -8.098 1.00 0.00 N ATOM 174 CA VAL A 14 2.497 -1.232 -8.486 1.00 0.00 C ATOM 175 C VAL A 14 2.585 -0.225 -7.337 1.00 0.00 C ATOM 176 O VAL A 14 1.599 0.433 -7.008 1.00 0.00 O ATOM 177 CB VAL A 14 2.002 -0.608 -9.792 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.598 0.787 -9.993 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.312 -1.514 -10.985 1.00 0.00 C ATOM 0 H VAL A 14 0.633 -2.162 -8.259 1.00 0.00 H new ATOM 0 HA VAL A 14 3.507 -1.595 -8.677 1.00 0.00 H new ATOM 0 HB VAL A 14 0.919 -0.503 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.230 1.208 -10.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.304 1.431 -9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.685 0.716 -10.029 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.950 -1.047 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.389 -1.665 -11.057 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.819 -2.476 -10.849 1.00 0.00 H new ATOM 189 N ILE A 15 3.773 -0.138 -6.759 1.00 0.00 N ATOM 190 CA ILE A 15 4.002 0.777 -5.654 1.00 0.00 C ATOM 191 C ILE A 15 4.643 2.061 -6.185 1.00 0.00 C ATOM 192 O ILE A 15 5.808 2.059 -6.580 1.00 0.00 O ATOM 193 CB ILE A 15 4.814 0.094 -4.552 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.113 -1.173 -4.059 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.113 1.066 -3.408 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.863 -0.827 -3.246 1.00 0.00 C ATOM 0 H ILE A 15 4.588 -0.686 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 15 3.056 1.060 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 15 5.772 -0.211 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.837 -1.795 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.799 -1.758 -3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.691 0.555 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.685 1.912 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.176 1.424 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.383 -1.745 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.146 -0.226 -2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.168 -0.263 -3.869 1.00 0.00 H new ATOM 208 N ASN A 16 3.855 3.126 -6.177 1.00 0.00 N ATOM 209 CA ASN A 16 4.331 4.413 -6.653 1.00 0.00 C ATOM 210 C ASN A 16 4.820 5.243 -5.463 1.00 0.00 C ATOM 211 O ASN A 16 4.079 5.456 -4.505 1.00 0.00 O ATOM 212 CB ASN A 16 3.212 5.193 -7.345 1.00 0.00 C ATOM 213 CG ASN A 16 2.938 4.634 -8.743 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.780 4.657 -9.625 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.716 4.131 -8.894 1.00 0.00 N ATOM 0 H ASN A 16 2.889 3.124 -5.848 1.00 0.00 H new ATOM 0 HA ASN A 16 5.137 4.232 -7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.304 5.143 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.488 6.245 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.436 3.733 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.059 4.143 -8.114 1.00 0.00 H new ATOM 222 N PHE A 17 6.064 5.688 -5.565 1.00 0.00 N ATOM 223 CA PHE A 17 6.660 6.490 -4.509 1.00 0.00 C ATOM 224 C PHE A 17 7.594 7.554 -5.090 1.00 0.00 C ATOM 225 O PHE A 17 8.117 7.391 -6.191 1.00 0.00 O ATOM 226 CB PHE A 17 7.474 5.538 -3.630 1.00 0.00 C ATOM 227 CG PHE A 17 8.752 5.020 -4.292 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.901 5.742 -4.209 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.739 3.837 -4.963 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.088 5.261 -4.823 1.00 0.00 C ATOM 231 CE2 PHE A 17 9.926 3.356 -5.577 1.00 0.00 C ATOM 232 CZ PHE A 17 11.075 4.079 -5.495 1.00 0.00 C ATOM 0 H PHE A 17 6.675 5.509 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 17 5.880 7.000 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.738 6.050 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.849 4.688 -3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.911 6.681 -3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.826 3.263 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.001 5.834 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.916 2.416 -6.109 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.977 3.714 -5.964 1.00 0.00 H new ATOM 242 N LYS A 18 7.775 8.618 -4.322 1.00 0.00 N ATOM 243 CA LYS A 18 8.637 9.709 -4.747 1.00 0.00 C ATOM 244 C LYS A 18 7.982 10.444 -5.918 1.00 0.00 C ATOM 245 O LYS A 18 8.601 11.309 -6.536 1.00 0.00 O ATOM 246 CB LYS A 18 10.043 9.191 -5.055 1.00 0.00 C ATOM 247 CG LYS A 18 10.966 9.359 -3.846 1.00 0.00 C ATOM 248 CD LYS A 18 12.425 9.500 -4.286 1.00 0.00 C ATOM 249 CE LYS A 18 13.334 8.574 -3.476 1.00 0.00 C ATOM 250 NZ LYS A 18 14.352 7.951 -4.351 1.00 0.00 N ATOM 0 H LYS A 18 7.340 8.748 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 18 8.758 10.435 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.993 8.139 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.454 9.730 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.668 10.239 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.864 8.500 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.513 9.265 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.748 10.533 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.824 9.139 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.737 7.800 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.849 7.203 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.887 7.539 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.036 8.673 -4.656 1.00 0.00 H new ATOM 264 N LYS A 19 6.739 10.075 -6.186 1.00 0.00 N ATOM 265 CA LYS A 19 5.993 10.689 -7.272 1.00 0.00 C ATOM 266 C LYS A 19 6.833 10.646 -8.550 1.00 0.00 C ATOM 267 O LYS A 19 6.704 11.513 -9.412 1.00 0.00 O ATOM 268 CB LYS A 19 5.540 12.097 -6.881 1.00 0.00 C ATOM 269 CG LYS A 19 4.325 12.045 -5.953 1.00 0.00 C ATOM 270 CD LYS A 19 3.936 13.446 -5.479 1.00 0.00 C ATOM 271 CE LYS A 19 2.423 13.652 -5.561 1.00 0.00 C ATOM 272 NZ LYS A 19 1.758 13.093 -4.363 1.00 0.00 N ATOM 0 H LYS A 19 6.229 9.358 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 19 5.080 10.129 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.358 12.621 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.293 12.665 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.484 11.587 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.547 11.415 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.271 13.593 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.442 14.194 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.199 14.715 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.033 13.172 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.795 12.788 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.301 12.278 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.710 13.821 -3.621 1.00 0.00 H new ATOM 286 N THR A 20 7.676 9.626 -8.632 1.00 0.00 N ATOM 287 CA THR A 20 8.537 9.458 -9.790 1.00 0.00 C ATOM 288 C THR A 20 8.960 7.995 -9.932 1.00 0.00 C ATOM 289 O THR A 20 8.798 7.399 -10.996 1.00 0.00 O ATOM 290 CB THR A 20 9.717 10.421 -9.645 1.00 0.00 C ATOM 291 OG1 THR A 20 10.243 10.134 -8.352 1.00 0.00 O ATOM 292 CG2 THR A 20 9.273 11.882 -9.551 1.00 0.00 C ATOM 0 H THR A 20 7.781 8.908 -7.915 1.00 0.00 H new ATOM 0 HA THR A 20 8.011 9.702 -10.713 1.00 0.00 H new ATOM 0 HB THR A 20 10.390 10.300 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.752 10.648 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.149 12.523 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.727 12.155 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.627 12.011 -8.683 1.00 0.00 H new ATOM 300 N GLN A 21 9.494 7.459 -8.845 1.00 0.00 N ATOM 301 CA GLN A 21 9.942 6.076 -8.835 1.00 0.00 C ATOM 302 C GLN A 21 8.799 5.151 -8.412 1.00 0.00 C ATOM 303 O GLN A 21 7.835 5.594 -7.791 1.00 0.00 O ATOM 304 CB GLN A 21 11.157 5.900 -7.921 1.00 0.00 C ATOM 305 CG GLN A 21 12.412 6.502 -8.556 1.00 0.00 C ATOM 306 CD GLN A 21 13.664 6.122 -7.762 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.960 6.678 -6.718 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.379 5.146 -8.314 1.00 0.00 N ATOM 0 H GLN A 21 9.627 7.957 -7.965 1.00 0.00 H new ATOM 0 HA GLN A 21 10.247 5.806 -9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.966 6.378 -6.960 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.318 4.840 -7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.508 6.151 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.318 7.587 -8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.074 4.723 -9.191 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.233 4.820 -7.861 1.00 0.00 H new ATOM 317 N LYS A 22 8.946 3.883 -8.766 1.00 0.00 N ATOM 318 CA LYS A 22 7.938 2.891 -8.431 1.00 0.00 C ATOM 319 C LYS A 22 8.603 1.521 -8.291 1.00 0.00 C ATOM 320 O LYS A 22 9.642 1.266 -8.898 1.00 0.00 O ATOM 321 CB LYS A 22 6.798 2.920 -9.452 1.00 0.00 C ATOM 322 CG LYS A 22 7.338 3.104 -10.871 1.00 0.00 C ATOM 323 CD LYS A 22 6.482 2.345 -11.886 1.00 0.00 C ATOM 324 CE LYS A 22 7.259 1.174 -12.492 1.00 0.00 C ATOM 325 NZ LYS A 22 7.505 0.131 -11.472 1.00 0.00 N ATOM 0 H LYS A 22 9.748 3.519 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 22 7.480 3.123 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.229 1.992 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.111 3.732 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.353 4.164 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.368 2.750 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.579 1.975 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.163 3.023 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.698 0.751 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.208 1.529 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.927 -0.705 -11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.156 0.499 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.605 -0.135 -11.024 1.00 0.00 H new ATOM 339 N THR A 23 7.978 0.674 -7.487 1.00 0.00 N ATOM 340 CA THR A 23 8.496 -0.664 -7.259 1.00 0.00 C ATOM 341 C THR A 23 7.358 -1.686 -7.268 1.00 0.00 C ATOM 342 O THR A 23 6.286 -1.432 -6.720 1.00 0.00 O ATOM 343 CB THR A 23 9.288 -0.648 -5.950 1.00 0.00 C ATOM 344 OG1 THR A 23 9.931 -1.919 -5.917 1.00 0.00 O ATOM 345 CG2 THR A 23 8.381 -0.657 -4.717 1.00 0.00 C ATOM 0 H THR A 23 7.117 0.889 -6.985 1.00 0.00 H new ATOM 0 HA THR A 23 9.170 -0.968 -8.060 1.00 0.00 H new ATOM 0 HB THR A 23 9.928 0.234 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.468 -1.993 -5.101 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.993 -0.645 -3.815 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.739 0.223 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.765 -1.556 -4.725 1.00 0.00 H new ATOM 353 N ILE A 24 7.629 -2.821 -7.896 1.00 0.00 N ATOM 354 CA ILE A 24 6.641 -3.882 -7.983 1.00 0.00 C ATOM 355 C ILE A 24 6.885 -4.894 -6.862 1.00 0.00 C ATOM 356 O ILE A 24 8.025 -5.112 -6.456 1.00 0.00 O ATOM 357 CB ILE A 24 6.642 -4.502 -9.382 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.214 -3.478 -10.436 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.778 -5.763 -9.424 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.730 -3.134 -10.294 1.00 0.00 C ATOM 0 H ILE A 24 8.519 -3.029 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 24 5.638 -3.481 -7.838 1.00 0.00 H new ATOM 0 HB ILE A 24 7.662 -4.803 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.812 -2.573 -10.333 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.405 -3.875 -11.433 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.796 -6.183 -10.430 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.169 -6.495 -8.717 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.752 -5.510 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.451 -2.405 -11.054 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.133 -4.037 -10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.547 -2.715 -9.305 1.00 0.00 H new ATOM 372 N VAL A 25 5.795 -5.486 -6.395 1.00 0.00 N ATOM 373 CA VAL A 25 5.877 -6.470 -5.329 1.00 0.00 C ATOM 374 C VAL A 25 4.738 -7.480 -5.484 1.00 0.00 C ATOM 375 O VAL A 25 3.692 -7.159 -6.046 1.00 0.00 O ATOM 376 CB VAL A 25 5.874 -5.769 -3.969 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.030 -4.772 -3.863 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.532 -5.083 -3.709 1.00 0.00 C ATOM 0 H VAL A 25 4.851 -5.303 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 25 6.813 -7.024 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 25 6.016 -6.529 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.005 -4.288 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.977 -5.299 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.933 -4.018 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.557 -4.592 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.347 -4.340 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.735 -5.827 -3.720 1.00 0.00 H new ATOM 388 N ARG A 26 4.980 -8.679 -4.976 1.00 0.00 N ATOM 389 CA ARG A 26 3.987 -9.738 -5.051 1.00 0.00 C ATOM 390 C ARG A 26 3.474 -10.084 -3.652 1.00 0.00 C ATOM 391 O ARG A 26 4.214 -10.625 -2.832 1.00 0.00 O ATOM 392 CB ARG A 26 4.571 -10.995 -5.699 1.00 0.00 C ATOM 393 CG ARG A 26 3.811 -11.357 -6.976 1.00 0.00 C ATOM 394 CD ARG A 26 4.778 -11.678 -8.117 1.00 0.00 C ATOM 395 NE ARG A 26 4.254 -12.804 -8.923 1.00 0.00 N ATOM 396 CZ ARG A 26 4.006 -14.026 -8.434 1.00 0.00 C ATOM 397 NH1 ARG A 26 4.233 -14.289 -7.140 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.531 -14.986 -9.240 1.00 0.00 N ATOM 0 H ARG A 26 5.849 -8.941 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 26 3.162 -9.377 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.624 -10.833 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.524 -11.826 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.166 -12.216 -6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.164 -10.529 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.913 -10.800 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.758 -11.934 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 26 4.070 -12.639 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.595 -13.558 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.044 -15.220 -6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.359 -14.786 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.342 -15.917 -8.868 1.00 0.00 H new ATOM 412 N VAL A 27 2.210 -9.758 -3.422 1.00 0.00 N ATOM 413 CA VAL A 27 1.589 -10.028 -2.137 1.00 0.00 C ATOM 414 C VAL A 27 0.197 -10.620 -2.362 1.00 0.00 C ATOM 415 O VAL A 27 -0.215 -10.831 -3.502 1.00 0.00 O ATOM 416 CB VAL A 27 1.567 -8.754 -1.289 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.869 -8.598 -0.500 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.300 -7.523 -2.156 1.00 0.00 C ATOM 0 H VAL A 27 1.599 -9.309 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 27 2.169 -10.764 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 27 0.750 -8.842 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.827 -7.685 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.999 -9.455 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.709 -8.543 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.290 -6.632 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.085 -7.429 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.335 -7.629 -2.652 1.00 0.00 H new ATOM 428 N SER A 28 -0.490 -10.872 -1.258 1.00 0.00 N ATOM 429 CA SER A 28 -1.827 -11.436 -1.320 1.00 0.00 C ATOM 430 C SER A 28 -2.860 -10.318 -1.473 1.00 0.00 C ATOM 431 O SER A 28 -2.832 -9.337 -0.731 1.00 0.00 O ATOM 432 CB SER A 28 -2.131 -12.274 -0.076 1.00 0.00 C ATOM 433 OG SER A 28 -2.994 -13.369 -0.368 1.00 0.00 O ATOM 0 H SER A 28 -0.145 -10.696 -0.314 1.00 0.00 H new ATOM 0 HA SER A 28 -1.881 -12.093 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.198 -12.650 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.592 -11.642 0.683 1.00 0.00 H new ATOM 0 HG SER A 28 -3.163 -13.880 0.451 1.00 0.00 H new ATOM 439 N PRO A 29 -3.771 -10.508 -2.465 1.00 0.00 N ATOM 440 CA PRO A 29 -4.811 -9.527 -2.724 1.00 0.00 C ATOM 441 C PRO A 29 -5.907 -9.595 -1.658 1.00 0.00 C ATOM 442 O PRO A 29 -6.780 -8.731 -1.605 1.00 0.00 O ATOM 443 CB PRO A 29 -5.319 -9.851 -4.119 1.00 0.00 C ATOM 444 CG PRO A 29 -4.874 -11.276 -4.404 1.00 0.00 C ATOM 445 CD PRO A 29 -3.834 -11.657 -3.363 1.00 0.00 C ATOM 0 HA PRO A 29 -4.443 -8.502 -2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.404 -9.763 -4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.909 -9.159 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.724 -11.957 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.455 -11.352 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.122 -12.562 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.866 -11.853 -3.824 1.00 0.00 H new ATOM 453 N HIS A 30 -5.824 -10.630 -0.835 1.00 0.00 N ATOM 454 CA HIS A 30 -6.797 -10.822 0.226 1.00 0.00 C ATOM 455 C HIS A 30 -6.448 -9.922 1.412 1.00 0.00 C ATOM 456 O HIS A 30 -7.210 -9.020 1.758 1.00 0.00 O ATOM 457 CB HIS A 30 -6.896 -12.299 0.612 1.00 0.00 C ATOM 458 CG HIS A 30 -7.335 -13.201 -0.517 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.609 -13.162 -1.056 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.656 -14.164 -1.204 1.00 0.00 C ATOM 461 CE1 HIS A 30 -8.683 -14.066 -2.021 1.00 0.00 C ATOM 462 NE2 HIS A 30 -7.471 -14.687 -2.111 1.00 0.00 N ATOM 0 H HIS A 30 -5.098 -11.344 -0.882 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.786 -10.531 -0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.925 -12.635 0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.598 -12.401 1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.629 -14.452 -1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.550 -14.275 -2.630 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.231 -15.430 -2.767 1.00 0.00 H new ATOM 470 N ALA A 31 -5.295 -10.197 2.004 1.00 0.00 N ATOM 471 CA ALA A 31 -4.835 -9.423 3.145 1.00 0.00 C ATOM 472 C ALA A 31 -5.139 -7.943 2.907 1.00 0.00 C ATOM 473 O ALA A 31 -5.131 -7.479 1.767 1.00 0.00 O ATOM 474 CB ALA A 31 -3.344 -9.684 3.371 1.00 0.00 C ATOM 0 H ALA A 31 -4.665 -10.945 1.715 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.360 -9.725 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.999 -9.104 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.186 -10.745 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.784 -9.389 2.483 1.00 0.00 H new ATOM 480 N SER A 32 -5.398 -7.242 4.000 1.00 0.00 N ATOM 481 CA SER A 32 -5.704 -5.823 3.925 1.00 0.00 C ATOM 482 C SER A 32 -4.409 -5.012 3.845 1.00 0.00 C ATOM 483 O SER A 32 -3.380 -5.425 4.378 1.00 0.00 O ATOM 484 CB SER A 32 -6.538 -5.375 5.127 1.00 0.00 C ATOM 485 OG SER A 32 -7.130 -6.478 5.808 1.00 0.00 O ATOM 0 H SER A 32 -5.402 -7.630 4.943 1.00 0.00 H new ATOM 0 HA SER A 32 -6.292 -5.647 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.906 -4.819 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.320 -4.694 4.792 1.00 0.00 H new ATOM 0 HG SER A 32 -7.652 -6.150 6.570 1.00 0.00 H new ATOM 491 N LEU A 33 -4.502 -3.873 3.175 1.00 0.00 N ATOM 492 CA LEU A 33 -3.351 -3.001 3.018 1.00 0.00 C ATOM 493 C LEU A 33 -2.703 -2.768 4.384 1.00 0.00 C ATOM 494 O LEU A 33 -1.486 -2.615 4.480 1.00 0.00 O ATOM 495 CB LEU A 33 -3.750 -1.711 2.299 1.00 0.00 C ATOM 496 CG LEU A 33 -4.305 -1.876 0.883 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.344 -0.797 0.572 1.00 0.00 C ATOM 498 CD2 LEU A 33 -3.175 -1.898 -0.149 1.00 0.00 C ATOM 0 H LEU A 33 -5.357 -3.534 2.735 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.600 -3.473 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.498 -1.198 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.877 -1.060 2.252 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.813 -2.838 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.722 -0.937 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.169 -0.871 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.882 0.187 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.596 -2.016 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.618 -0.962 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.505 -2.731 0.063 1.00 0.00 H new ATOM 510 N GLN A 34 -3.545 -2.750 5.408 1.00 0.00 N ATOM 511 CA GLN A 34 -3.069 -2.539 6.764 1.00 0.00 C ATOM 512 C GLN A 34 -1.955 -3.533 7.097 1.00 0.00 C ATOM 513 O GLN A 34 -1.019 -3.202 7.823 1.00 0.00 O ATOM 514 CB GLN A 34 -4.217 -2.645 7.770 1.00 0.00 C ATOM 515 CG GLN A 34 -3.692 -2.977 9.168 1.00 0.00 C ATOM 516 CD GLN A 34 -4.763 -2.724 10.231 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.120 -1.598 10.534 1.00 0.00 O ATOM 518 NE2 GLN A 34 -5.254 -3.833 10.778 1.00 0.00 N ATOM 0 H GLN A 34 -4.554 -2.878 5.325 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.661 -1.531 6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.768 -1.705 7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.917 -3.416 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.378 -4.020 9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.811 -2.372 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.910 -4.745 10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.974 -3.771 11.498 1.00 0.00 H new ATOM 527 N GLU A 35 -2.092 -4.731 6.549 1.00 0.00 N ATOM 528 CA GLU A 35 -1.108 -5.776 6.778 1.00 0.00 C ATOM 529 C GLU A 35 -0.021 -5.727 5.703 1.00 0.00 C ATOM 530 O GLU A 35 1.093 -6.203 5.919 1.00 0.00 O ATOM 531 CB GLU A 35 -1.772 -7.154 6.824 1.00 0.00 C ATOM 532 CG GLU A 35 -2.050 -7.580 8.267 1.00 0.00 C ATOM 533 CD GLU A 35 -0.817 -8.236 8.892 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.034 -8.827 8.118 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.686 -8.133 10.131 1.00 0.00 O ATOM 0 H GLU A 35 -2.869 -5.002 5.947 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.641 -5.602 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.705 -7.131 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.127 -7.889 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.342 -6.711 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.888 -8.277 8.289 1.00 0.00 H new ATOM 542 N LEU A 36 -0.382 -5.147 4.568 1.00 0.00 N ATOM 543 CA LEU A 36 0.549 -5.029 3.458 1.00 0.00 C ATOM 544 C LEU A 36 1.209 -3.650 3.496 1.00 0.00 C ATOM 545 O LEU A 36 1.889 -3.257 2.549 1.00 0.00 O ATOM 546 CB LEU A 36 -0.154 -5.339 2.135 1.00 0.00 C ATOM 547 CG LEU A 36 -0.761 -6.738 2.009 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.690 -6.826 0.797 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.332 -7.809 1.972 1.00 0.00 C ATOM 0 H LEU A 36 -1.307 -4.753 4.393 1.00 0.00 H new ATOM 0 HA LEU A 36 1.347 -5.766 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.947 -4.606 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.562 -5.201 1.325 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.368 -6.927 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.108 -7.831 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.499 -6.103 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.127 -6.607 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.126 -8.794 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.985 -7.633 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.917 -7.764 2.891 1.00 0.00 H new ATOM 561 N ALA A 37 0.985 -2.952 4.599 1.00 0.00 N ATOM 562 CA ALA A 37 1.549 -1.624 4.773 1.00 0.00 C ATOM 563 C ALA A 37 3.067 -1.736 4.928 1.00 0.00 C ATOM 564 O ALA A 37 3.818 -1.035 4.252 1.00 0.00 O ATOM 565 CB ALA A 37 0.890 -0.941 5.972 1.00 0.00 C ATOM 0 H ALA A 37 0.420 -3.281 5.382 1.00 0.00 H new ATOM 0 HA ALA A 37 1.351 -1.006 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.314 0.055 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.183 -0.859 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.069 -1.531 6.871 1.00 0.00 H new ATOM 571 N PRO A 38 3.485 -2.648 5.847 1.00 0.00 N ATOM 572 CA PRO A 38 4.900 -2.861 6.099 1.00 0.00 C ATOM 573 C PRO A 38 5.546 -3.658 4.964 1.00 0.00 C ATOM 574 O PRO A 38 6.662 -3.355 4.545 1.00 0.00 O ATOM 575 CB PRO A 38 4.957 -3.581 7.437 1.00 0.00 C ATOM 576 CG PRO A 38 3.567 -4.156 7.660 1.00 0.00 C ATOM 577 CD PRO A 38 2.625 -3.497 6.666 1.00 0.00 C ATOM 0 HA PRO A 38 5.465 -1.930 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.709 -4.370 7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.229 -2.895 8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.574 -5.237 7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.236 -3.969 8.681 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.108 -4.240 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.859 -2.911 7.175 1.00 0.00 H new ATOM 585 N ILE A 39 4.816 -4.661 4.498 1.00 0.00 N ATOM 586 CA ILE A 39 5.304 -5.503 3.419 1.00 0.00 C ATOM 587 C ILE A 39 5.591 -4.637 2.191 1.00 0.00 C ATOM 588 O ILE A 39 6.472 -4.955 1.395 1.00 0.00 O ATOM 589 CB ILE A 39 4.326 -6.648 3.150 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.358 -7.676 4.283 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.595 -7.290 1.787 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.954 -7.925 4.837 1.00 0.00 C ATOM 0 H ILE A 39 3.891 -4.909 4.848 1.00 0.00 H new ATOM 0 HA ILE A 39 6.244 -5.977 3.701 1.00 0.00 H new ATOM 0 HB ILE A 39 3.318 -6.235 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.780 -8.612 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.010 -7.322 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.886 -8.101 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.480 -6.541 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.610 -7.686 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.005 -8.659 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.545 -6.992 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.311 -8.302 4.042 1.00 0.00 H new ATOM 604 N ILE A 40 4.829 -3.559 2.076 1.00 0.00 N ATOM 605 CA ILE A 40 4.990 -2.645 0.959 1.00 0.00 C ATOM 606 C ILE A 40 6.073 -1.619 1.297 1.00 0.00 C ATOM 607 O ILE A 40 7.073 -1.510 0.589 1.00 0.00 O ATOM 608 CB ILE A 40 3.646 -2.018 0.581 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.777 -3.010 -0.195 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.847 -0.710 -0.186 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.331 -2.519 -0.284 1.00 0.00 C ATOM 0 H ILE A 40 4.098 -3.298 2.738 1.00 0.00 H new ATOM 0 HA ILE A 40 5.325 -3.183 0.072 1.00 0.00 H new ATOM 0 HB ILE A 40 3.113 -1.773 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.181 -3.146 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.805 -3.984 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.876 -0.286 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.399 -0.005 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.410 -0.906 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.735 -3.242 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.922 -2.408 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.304 -1.557 -0.795 1.00 0.00 H new ATOM 623 N CYS A 41 5.838 -0.891 2.379 1.00 0.00 N ATOM 624 CA CYS A 41 6.781 0.122 2.820 1.00 0.00 C ATOM 625 C CYS A 41 8.166 -0.520 2.915 1.00 0.00 C ATOM 626 O CYS A 41 9.139 0.012 2.382 1.00 0.00 O ATOM 627 CB CYS A 41 6.353 0.755 4.145 1.00 0.00 C ATOM 628 SG CYS A 41 5.600 2.395 3.842 1.00 0.00 S ATOM 0 H CYS A 41 5.007 -0.983 2.964 1.00 0.00 H new ATOM 0 HA CYS A 41 6.808 0.937 2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.639 0.107 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.215 0.858 4.804 1.00 0.00 H new ATOM 0 HG CYS A 41 5.050 2.829 4.937 1.00 0.00 H new ATOM 634 N SER A 42 8.212 -1.655 3.596 1.00 0.00 N ATOM 635 CA SER A 42 9.462 -2.375 3.768 1.00 0.00 C ATOM 636 C SER A 42 10.094 -2.660 2.404 1.00 0.00 C ATOM 637 O SER A 42 11.310 -2.562 2.246 1.00 0.00 O ATOM 638 CB SER A 42 9.245 -3.681 4.535 1.00 0.00 C ATOM 639 OG SER A 42 10.467 -4.378 4.760 1.00 0.00 O ATOM 0 H SER A 42 7.403 -2.094 4.036 1.00 0.00 H new ATOM 0 HA SER A 42 10.138 -1.750 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.770 -3.465 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.561 -4.320 3.977 1.00 0.00 H new ATOM 0 HG SER A 42 10.286 -5.205 5.254 1.00 0.00 H new ATOM 645 N LYS A 43 9.239 -3.007 1.452 1.00 0.00 N ATOM 646 CA LYS A 43 9.698 -3.306 0.107 1.00 0.00 C ATOM 647 C LYS A 43 10.354 -2.060 -0.493 1.00 0.00 C ATOM 648 O LYS A 43 11.331 -2.164 -1.233 1.00 0.00 O ATOM 649 CB LYS A 43 8.552 -3.864 -0.739 1.00 0.00 C ATOM 650 CG LYS A 43 8.332 -5.351 -0.452 1.00 0.00 C ATOM 651 CD LYS A 43 9.164 -6.220 -1.397 1.00 0.00 C ATOM 652 CE LYS A 43 8.542 -7.609 -1.556 1.00 0.00 C ATOM 653 NZ LYS A 43 9.359 -8.442 -2.466 1.00 0.00 N ATOM 0 H LYS A 43 8.231 -3.087 1.586 1.00 0.00 H new ATOM 0 HA LYS A 43 10.457 -4.088 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.637 -3.310 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.774 -3.723 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.602 -5.570 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.275 -5.594 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.237 -5.737 -2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.179 -6.314 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.464 -8.093 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.529 -7.518 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.923 -9.381 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.412 -7.987 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.318 -8.544 -2.076 1.00 0.00 H new ATOM 667 N CYS A 44 9.791 -0.911 -0.150 1.00 0.00 N ATOM 668 CA CYS A 44 10.308 0.353 -0.645 1.00 0.00 C ATOM 669 C CYS A 44 11.187 0.972 0.444 1.00 0.00 C ATOM 670 O CYS A 44 11.551 2.144 0.361 1.00 0.00 O ATOM 671 CB CYS A 44 9.183 1.296 -1.075 1.00 0.00 C ATOM 672 SG CYS A 44 9.463 1.863 -2.793 1.00 0.00 S ATOM 0 H CYS A 44 8.981 -0.829 0.465 1.00 0.00 H new ATOM 0 HA CYS A 44 10.907 0.178 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.222 0.786 -1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.139 2.153 -0.403 1.00 0.00 H new ATOM 0 HG CYS A 44 8.745 2.922 -3.023 1.00 0.00 H new ATOM 678 N GLU A 45 11.502 0.156 1.439 1.00 0.00 N ATOM 679 CA GLU A 45 12.331 0.609 2.543 1.00 0.00 C ATOM 680 C GLU A 45 11.781 1.915 3.119 1.00 0.00 C ATOM 681 O GLU A 45 12.546 2.812 3.474 1.00 0.00 O ATOM 682 CB GLU A 45 13.787 0.773 2.104 1.00 0.00 C ATOM 683 CG GLU A 45 14.540 -0.556 2.192 1.00 0.00 C ATOM 684 CD GLU A 45 15.947 -0.429 1.605 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.046 -0.439 0.359 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.893 -0.325 2.416 1.00 0.00 O ATOM 0 H GLU A 45 11.198 -0.816 1.504 1.00 0.00 H new ATOM 0 HA GLU A 45 12.306 -0.149 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.822 1.148 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.278 1.516 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.604 -0.874 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.987 -1.328 1.656 1.00 0.00 H new ATOM 693 N PHE A 46 10.460 1.982 3.194 1.00 0.00 N ATOM 694 CA PHE A 46 9.799 3.165 3.720 1.00 0.00 C ATOM 695 C PHE A 46 9.417 2.971 5.189 1.00 0.00 C ATOM 696 O PHE A 46 9.669 1.914 5.765 1.00 0.00 O ATOM 697 CB PHE A 46 8.526 3.369 2.897 1.00 0.00 C ATOM 698 CG PHE A 46 8.715 4.266 1.671 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.944 4.390 1.103 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.654 4.938 1.151 1.00 0.00 C ATOM 701 CE1 PHE A 46 10.119 5.222 -0.035 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.829 5.770 0.013 1.00 0.00 C ATOM 703 CZ PHE A 46 9.058 5.894 -0.555 1.00 0.00 C ATOM 0 H PHE A 46 9.829 1.236 2.899 1.00 0.00 H new ATOM 0 HA PHE A 46 10.467 4.024 3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.157 2.397 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.757 3.803 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.787 3.856 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.678 4.839 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.095 5.321 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.986 6.304 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.191 6.527 -1.420 1.00 0.00 H new ATOM 713 N ASP A 47 8.815 4.008 5.752 1.00 0.00 N ATOM 714 CA ASP A 47 8.395 3.965 7.143 1.00 0.00 C ATOM 715 C ASP A 47 6.867 4.017 7.212 1.00 0.00 C ATOM 716 O ASP A 47 6.257 4.997 6.789 1.00 0.00 O ATOM 717 CB ASP A 47 8.945 5.161 7.921 1.00 0.00 C ATOM 718 CG ASP A 47 10.277 4.914 8.632 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.321 3.960 9.438 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.221 5.684 8.352 1.00 0.00 O ATOM 0 H ASP A 47 8.608 4.883 5.271 1.00 0.00 H new ATOM 0 HA ASP A 47 8.776 3.043 7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.068 5.997 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.206 5.464 8.662 1.00 0.00 H new ATOM 725 N PRO A 48 6.279 2.922 7.762 1.00 0.00 N ATOM 726 CA PRO A 48 4.834 2.834 7.892 1.00 0.00 C ATOM 727 C PRO A 48 4.332 3.720 9.034 1.00 0.00 C ATOM 728 O PRO A 48 3.130 3.788 9.289 1.00 0.00 O ATOM 729 CB PRO A 48 4.549 1.358 8.116 1.00 0.00 C ATOM 730 CG PRO A 48 5.864 0.742 8.566 1.00 0.00 C ATOM 731 CD PRO A 48 6.971 1.742 8.274 1.00 0.00 C ATOM 0 HA PRO A 48 4.309 3.198 7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.775 1.220 8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.190 0.887 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.832 0.508 9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.047 -0.195 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.541 1.976 9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.677 1.349 7.543 1.00 0.00 H new ATOM 739 N LEU A 49 5.276 4.378 9.689 1.00 0.00 N ATOM 740 CA LEU A 49 4.944 5.257 10.797 1.00 0.00 C ATOM 741 C LEU A 49 4.068 6.404 10.288 1.00 0.00 C ATOM 742 O LEU A 49 3.020 6.691 10.863 1.00 0.00 O ATOM 743 CB LEU A 49 6.215 5.724 11.510 1.00 0.00 C ATOM 744 CG LEU A 49 6.657 4.886 12.712 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.171 4.970 12.912 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.889 5.287 13.972 1.00 0.00 C ATOM 0 H LEU A 49 6.271 4.320 9.474 1.00 0.00 H new ATOM 0 HA LEU A 49 4.364 4.721 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.029 5.741 10.785 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.064 6.751 11.844 1.00 0.00 H new ATOM 0 HG LEU A 49 6.417 3.843 12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.458 4.366 13.772 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.677 4.597 12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.458 6.007 13.085 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.222 4.676 14.811 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.075 6.338 14.192 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.822 5.133 13.812 1.00 0.00 H new ATOM 758 N HIS A 50 4.531 7.028 9.215 1.00 0.00 N ATOM 759 CA HIS A 50 3.803 8.136 8.622 1.00 0.00 C ATOM 760 C HIS A 50 3.648 7.903 7.118 1.00 0.00 C ATOM 761 O HIS A 50 4.123 8.700 6.310 1.00 0.00 O ATOM 762 CB HIS A 50 4.480 9.469 8.949 1.00 0.00 C ATOM 763 CG HIS A 50 5.987 9.392 9.014 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.742 10.180 9.865 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.870 8.612 8.326 1.00 0.00 C ATOM 766 CE1 HIS A 50 8.020 9.880 9.688 1.00 0.00 C ATOM 767 NE2 HIS A 50 8.098 8.909 8.734 1.00 0.00 N ATOM 0 H HIS A 50 5.401 6.787 8.741 1.00 0.00 H new ATOM 0 HA HIS A 50 2.802 8.189 9.051 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.196 10.204 8.196 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.103 9.831 9.905 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.614 7.878 7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.854 10.327 10.208 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.958 8.481 8.390 1.00 0.00 H new ATOM 775 N THR A 51 2.982 6.807 6.787 1.00 0.00 N ATOM 776 CA THR A 51 2.759 6.458 5.394 1.00 0.00 C ATOM 777 C THR A 51 1.261 6.365 5.101 1.00 0.00 C ATOM 778 O THR A 51 0.481 5.951 5.957 1.00 0.00 O ATOM 779 CB THR A 51 3.517 5.161 5.104 1.00 0.00 C ATOM 780 OG1 THR A 51 4.867 5.580 4.926 1.00 0.00 O ATOM 781 CG2 THR A 51 3.136 4.549 3.754 1.00 0.00 C ATOM 0 H THR A 51 2.589 6.148 7.460 1.00 0.00 H new ATOM 0 HA THR A 51 3.141 7.230 4.727 1.00 0.00 H new ATOM 0 HB THR A 51 3.320 4.441 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.296 5.682 5.801 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.702 3.631 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.070 4.323 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.364 5.256 2.957 1.00 0.00 H new ATOM 789 N LEU A 52 0.902 6.757 3.887 1.00 0.00 N ATOM 790 CA LEU A 52 -0.489 6.723 3.470 1.00 0.00 C ATOM 791 C LEU A 52 -0.601 5.969 2.143 1.00 0.00 C ATOM 792 O LEU A 52 0.384 5.825 1.422 1.00 0.00 O ATOM 793 CB LEU A 52 -1.069 8.138 3.424 1.00 0.00 C ATOM 794 CG LEU A 52 -1.910 8.558 4.631 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.610 9.894 4.374 1.00 0.00 C ATOM 796 CD2 LEU A 52 -2.900 7.458 5.020 1.00 0.00 C ATOM 0 H LEU A 52 1.551 7.100 3.179 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.092 6.180 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.245 8.844 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.684 8.228 2.529 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.241 8.703 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.201 10.169 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.864 10.665 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.265 9.801 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.485 7.783 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.568 7.257 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.353 6.550 5.275 1.00 0.00 H new ATOM 808 N LEU A 53 -1.811 5.508 1.862 1.00 0.00 N ATOM 809 CA LEU A 53 -2.065 4.772 0.635 1.00 0.00 C ATOM 810 C LEU A 53 -3.135 5.501 -0.180 1.00 0.00 C ATOM 811 O LEU A 53 -4.324 5.395 0.115 1.00 0.00 O ATOM 812 CB LEU A 53 -2.415 3.315 0.946 1.00 0.00 C ATOM 813 CG LEU A 53 -1.358 2.522 1.718 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.869 1.121 2.062 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.037 2.477 0.948 1.00 0.00 C ATOM 0 H LEU A 53 -2.626 5.630 2.463 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.166 4.735 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.343 3.299 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.612 2.800 0.005 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.164 3.035 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.100 0.578 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.765 1.201 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.107 0.585 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.697 1.908 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.195 1.999 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.330 3.492 0.795 1.00 0.00 H new ATOM 827 N LEU A 54 -2.674 6.226 -1.188 1.00 0.00 N ATOM 828 CA LEU A 54 -3.576 6.972 -2.048 1.00 0.00 C ATOM 829 C LEU A 54 -3.961 6.108 -3.250 1.00 0.00 C ATOM 830 O LEU A 54 -3.237 5.180 -3.609 1.00 0.00 O ATOM 831 CB LEU A 54 -2.960 8.319 -2.431 1.00 0.00 C ATOM 832 CG LEU A 54 -2.628 9.259 -1.270 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.884 9.602 -0.466 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.525 8.673 -0.388 1.00 0.00 C ATOM 0 H LEU A 54 -1.687 6.313 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.498 7.209 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.045 8.131 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.647 8.833 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.246 10.192 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.620 10.271 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.609 10.092 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.318 8.688 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.309 9.361 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.854 7.717 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.625 8.522 -0.983 1.00 0.00 H new ATOM 846 N LYS A 55 -5.099 6.442 -3.840 1.00 0.00 N ATOM 847 CA LYS A 55 -5.588 5.708 -4.994 1.00 0.00 C ATOM 848 C LYS A 55 -4.455 5.549 -6.010 1.00 0.00 C ATOM 849 O LYS A 55 -3.981 4.440 -6.248 1.00 0.00 O ATOM 850 CB LYS A 55 -6.838 6.380 -5.567 1.00 0.00 C ATOM 851 CG LYS A 55 -7.936 6.490 -4.507 1.00 0.00 C ATOM 852 CD LYS A 55 -8.926 5.328 -4.621 1.00 0.00 C ATOM 853 CE LYS A 55 -9.912 5.559 -5.767 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.253 5.044 -5.410 1.00 0.00 N ATOM 0 H LYS A 55 -5.697 7.212 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.899 4.705 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.584 7.373 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.205 5.807 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.488 6.495 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.465 7.436 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.383 4.398 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.472 5.217 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.973 6.624 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.553 5.062 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.910 5.209 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.193 4.024 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.600 5.537 -4.562 1.00 0.00 H new ATOM 868 N ASP A 56 -4.054 6.675 -6.581 1.00 0.00 N ATOM 869 CA ASP A 56 -2.985 6.675 -7.566 1.00 0.00 C ATOM 870 C ASP A 56 -2.174 7.966 -7.432 1.00 0.00 C ATOM 871 O ASP A 56 -2.594 8.898 -6.749 1.00 0.00 O ATOM 872 CB ASP A 56 -3.547 6.615 -8.988 1.00 0.00 C ATOM 873 CG ASP A 56 -5.029 6.971 -9.114 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.848 6.183 -8.595 1.00 0.00 O ATOM 875 OD2 ASP A 56 -5.310 8.024 -9.726 1.00 0.00 O ATOM 0 H ASP A 56 -4.450 7.594 -6.381 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.361 5.799 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.971 7.293 -9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.396 5.609 -9.380 1.00 0.00 H new ATOM 880 N TYR A 57 -1.028 7.978 -8.096 1.00 0.00 N ATOM 881 CA TYR A 57 -0.154 9.138 -8.060 1.00 0.00 C ATOM 882 C TYR A 57 -0.949 10.429 -8.264 1.00 0.00 C ATOM 883 O TYR A 57 -0.774 11.394 -7.521 1.00 0.00 O ATOM 884 CB TYR A 57 0.824 8.966 -9.224 1.00 0.00 C ATOM 885 CG TYR A 57 1.419 10.280 -9.735 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.112 11.105 -8.873 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.264 10.639 -11.059 1.00 0.00 C ATOM 888 CE1 TYR A 57 2.672 12.341 -9.354 1.00 0.00 C ATOM 889 CE2 TYR A 57 1.825 11.875 -11.540 1.00 0.00 C ATOM 890 CZ TYR A 57 2.501 12.665 -10.664 1.00 0.00 C ATOM 891 OH TYR A 57 3.031 13.832 -11.118 1.00 0.00 O ATOM 0 H TYR A 57 -0.684 7.203 -8.662 1.00 0.00 H new ATOM 0 HA TYR A 57 0.351 9.208 -7.097 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.635 8.309 -8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.311 8.467 -10.046 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.234 10.824 -7.838 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.722 9.993 -11.734 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.216 12.996 -8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.711 12.168 -12.573 1.00 0.00 H new ATOM 0 HH TYR A 57 2.832 13.932 -12.072 1.00 0.00 H new ATOM 901 N GLN A 58 -1.806 10.406 -9.274 1.00 0.00 N ATOM 902 CA GLN A 58 -2.629 11.562 -9.585 1.00 0.00 C ATOM 903 C GLN A 58 -3.679 11.776 -8.493 1.00 0.00 C ATOM 904 O GLN A 58 -3.670 12.798 -7.808 1.00 0.00 O ATOM 905 CB GLN A 58 -3.288 11.414 -10.957 1.00 0.00 C ATOM 906 CG GLN A 58 -4.466 12.378 -11.108 1.00 0.00 C ATOM 907 CD GLN A 58 -4.445 13.060 -12.478 1.00 0.00 C ATOM 908 OE1 GLN A 58 -3.588 12.812 -13.310 1.00 0.00 O ATOM 909 NE2 GLN A 58 -5.434 13.930 -12.664 1.00 0.00 N ATOM 0 H GLN A 58 -1.948 9.604 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.986 12.441 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.554 11.606 -11.739 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.634 10.389 -11.089 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.403 11.835 -10.982 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.426 13.132 -10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.118 14.090 -11.925 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.508 14.437 -13.546 1.00 0.00 H new ATOM 918 N SER A 59 -4.560 10.794 -8.364 1.00 0.00 N ATOM 919 CA SER A 59 -5.615 10.862 -7.367 1.00 0.00 C ATOM 920 C SER A 59 -5.010 11.090 -5.980 1.00 0.00 C ATOM 921 O SER A 59 -4.028 10.447 -5.614 1.00 0.00 O ATOM 922 CB SER A 59 -6.462 9.588 -7.373 1.00 0.00 C ATOM 923 OG SER A 59 -7.444 9.594 -6.341 1.00 0.00 O ATOM 0 H SER A 59 -4.565 9.948 -8.933 1.00 0.00 H new ATOM 0 HA SER A 59 -6.266 11.700 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.954 9.484 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.813 8.721 -7.251 1.00 0.00 H new ATOM 0 HG SER A 59 -8.152 8.953 -6.560 1.00 0.00 H new ATOM 929 N GLN A 60 -5.623 12.007 -5.246 1.00 0.00 N ATOM 930 CA GLN A 60 -5.157 12.328 -3.907 1.00 0.00 C ATOM 931 C GLN A 60 -6.017 11.616 -2.861 1.00 0.00 C ATOM 932 O GLN A 60 -5.715 11.661 -1.669 1.00 0.00 O ATOM 933 CB GLN A 60 -5.153 13.840 -3.676 1.00 0.00 C ATOM 934 CG GLN A 60 -6.530 14.330 -3.224 1.00 0.00 C ATOM 935 CD GLN A 60 -6.594 15.858 -3.218 1.00 0.00 C ATOM 936 OE1 GLN A 60 -6.646 16.500 -2.182 1.00 0.00 O ATOM 937 NE2 GLN A 60 -6.588 16.404 -4.431 1.00 0.00 N ATOM 0 H GLN A 60 -6.438 12.538 -5.553 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.131 11.975 -3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.407 14.094 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.865 14.351 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.297 13.933 -3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.745 13.950 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.543 15.809 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.628 17.418 -4.534 1.00 0.00 H new ATOM 946 N GLU A 61 -7.071 10.975 -3.345 1.00 0.00 N ATOM 947 CA GLU A 61 -7.976 10.254 -2.466 1.00 0.00 C ATOM 948 C GLU A 61 -7.254 9.074 -1.812 1.00 0.00 C ATOM 949 O GLU A 61 -6.656 8.249 -2.501 1.00 0.00 O ATOM 950 CB GLU A 61 -9.219 9.784 -3.226 1.00 0.00 C ATOM 951 CG GLU A 61 -10.475 10.488 -2.710 1.00 0.00 C ATOM 952 CD GLU A 61 -10.943 11.564 -3.692 1.00 0.00 C ATOM 953 OE1 GLU A 61 -10.280 12.623 -3.732 1.00 0.00 O ATOM 954 OE2 GLU A 61 -11.954 11.304 -4.380 1.00 0.00 O ATOM 0 H GLU A 61 -7.318 10.940 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.306 10.933 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.096 9.985 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.331 8.705 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.270 9.757 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.270 10.940 -1.740 1.00 0.00 H new ATOM 961 N PRO A 62 -7.337 9.030 -0.456 1.00 0.00 N ATOM 962 CA PRO A 62 -6.698 7.965 0.299 1.00 0.00 C ATOM 963 C PRO A 62 -7.484 6.658 0.174 1.00 0.00 C ATOM 964 O PRO A 62 -8.612 6.652 -0.316 1.00 0.00 O ATOM 965 CB PRO A 62 -6.628 8.482 1.726 1.00 0.00 C ATOM 966 CG PRO A 62 -7.640 9.613 1.811 1.00 0.00 C ATOM 967 CD PRO A 62 -8.037 9.990 0.393 1.00 0.00 C ATOM 0 HA PRO A 62 -5.702 7.725 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.864 7.692 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.625 8.837 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.514 9.301 2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.211 10.471 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.116 9.928 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.744 11.013 0.159 1.00 0.00 H new ATOM 975 N LEU A 63 -6.857 5.582 0.627 1.00 0.00 N ATOM 976 CA LEU A 63 -7.483 4.272 0.572 1.00 0.00 C ATOM 977 C LEU A 63 -7.868 3.837 1.987 1.00 0.00 C ATOM 978 O LEU A 63 -7.611 4.554 2.953 1.00 0.00 O ATOM 979 CB LEU A 63 -6.578 3.275 -0.153 1.00 0.00 C ATOM 980 CG LEU A 63 -6.013 3.738 -1.498 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.710 3.006 -1.826 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.051 3.585 -2.611 1.00 0.00 C ATOM 0 H LEU A 63 -5.922 5.591 1.034 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.403 4.313 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.744 3.028 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.140 2.355 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.777 4.799 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.329 3.353 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.973 3.209 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.898 1.934 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.624 3.921 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.341 2.538 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.929 4.187 -2.375 1.00 0.00 H new ATOM 994 N ASP A 64 -8.478 2.663 2.066 1.00 0.00 N ATOM 995 CA ASP A 64 -8.901 2.123 3.347 1.00 0.00 C ATOM 996 C ASP A 64 -8.063 0.887 3.676 1.00 0.00 C ATOM 997 O ASP A 64 -8.220 -0.159 3.048 1.00 0.00 O ATOM 998 CB ASP A 64 -10.371 1.701 3.308 1.00 0.00 C ATOM 999 CG ASP A 64 -11.299 2.503 4.224 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.461 3.712 3.949 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -11.824 1.889 5.177 1.00 0.00 O ATOM 0 H ASP A 64 -8.689 2.071 1.263 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.768 2.899 4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.732 1.789 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.438 0.648 3.580 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.190 1.048 4.660 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.327 -0.043 5.080 1.00 0.00 C ATOM 1008 C LEU A 65 -7.187 -1.213 5.559 1.00 0.00 C ATOM 1009 O LEU A 65 -6.748 -2.362 5.535 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.316 0.445 6.121 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.516 1.693 5.745 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -3.928 2.362 6.989 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.440 1.364 4.709 1.00 0.00 C ATOM 0 H LEU A 65 -7.062 1.917 5.178 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.735 -0.406 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.849 0.646 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.615 -0.364 6.325 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.197 2.409 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.364 3.247 6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.735 2.654 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.266 1.663 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.886 2.269 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.756 0.621 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.910 0.967 3.809 1.00 0.00 H new ATOM 1025 N THR A 66 -8.397 -0.881 5.985 1.00 0.00 N ATOM 1026 CA THR A 66 -9.323 -1.891 6.469 1.00 0.00 C ATOM 1027 C THR A 66 -9.873 -2.714 5.302 1.00 0.00 C ATOM 1028 O THR A 66 -10.528 -3.734 5.512 1.00 0.00 O ATOM 1029 CB THR A 66 -10.411 -1.184 7.280 1.00 0.00 C ATOM 1030 OG1 THR A 66 -10.661 0.016 6.554 1.00 0.00 O ATOM 1031 CG2 THR A 66 -9.906 -0.698 8.640 1.00 0.00 C ATOM 0 H THR A 66 -8.757 0.073 6.005 1.00 0.00 H new ATOM 0 HA THR A 66 -8.823 -2.606 7.122 1.00 0.00 H new ATOM 0 HB THR A 66 -11.252 -1.862 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.608 0.057 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.718 -0.204 9.174 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.554 -1.549 9.223 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.087 0.006 8.494 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.586 -2.240 4.099 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.044 -2.919 2.898 1.00 0.00 C ATOM 1041 C LYS A 67 -8.875 -3.682 2.272 1.00 0.00 C ATOM 1042 O LYS A 67 -7.737 -3.563 2.725 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.713 -1.928 1.944 1.00 0.00 C ATOM 1044 CG LYS A 67 -11.966 -1.320 2.576 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.232 -1.986 2.034 1.00 0.00 C ATOM 1046 CE LYS A 67 -13.898 -2.851 3.106 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.250 -2.337 3.422 1.00 0.00 N ATOM 0 H LYS A 67 -9.042 -1.394 3.930 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.810 -3.654 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.011 -1.136 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.978 -2.434 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.925 -1.437 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.998 -0.250 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.931 -1.223 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.982 -2.601 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.967 -3.882 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.286 -2.858 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.687 -2.936 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.177 -1.361 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.837 -2.353 2.563 1.00 0.00 H new ATOM 1061 N SER A 68 -9.195 -4.450 1.241 1.00 0.00 N ATOM 1062 CA SER A 68 -8.185 -5.232 0.548 1.00 0.00 C ATOM 1063 C SER A 68 -8.203 -4.904 -0.946 1.00 0.00 C ATOM 1064 O SER A 68 -9.146 -4.287 -1.438 1.00 0.00 O ATOM 1065 CB SER A 68 -8.405 -6.731 0.765 1.00 0.00 C ATOM 1066 OG SER A 68 -9.764 -7.106 0.562 1.00 0.00 O ATOM 0 H SER A 68 -10.140 -4.548 0.869 1.00 0.00 H new ATOM 0 HA SER A 68 -7.209 -4.972 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.768 -7.293 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.102 -6.999 1.777 1.00 0.00 H new ATOM 0 HG SER A 68 -9.863 -8.070 0.709 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.150 -5.333 -1.626 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.033 -5.092 -3.054 1.00 0.00 C ATOM 1074 C LEU A 69 -8.262 -5.662 -3.765 1.00 0.00 C ATOM 1075 O LEU A 69 -8.660 -5.167 -4.819 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.707 -5.642 -3.583 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.460 -4.820 -3.249 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.401 -3.545 -4.092 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.386 -4.521 -1.751 1.00 0.00 C ATOM 0 H LEU A 69 -6.370 -5.846 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.013 -4.022 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.571 -6.649 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.780 -5.731 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.582 -5.414 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.505 -2.980 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.372 -3.809 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.283 -2.937 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.491 -3.936 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.268 -3.956 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.346 -5.457 -1.195 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.830 -6.696 -3.161 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.006 -7.338 -3.723 1.00 0.00 C ATOM 1093 C ASN A 70 -11.224 -6.437 -3.512 1.00 0.00 C ATOM 1094 O ASN A 70 -12.012 -6.227 -4.433 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.283 -8.677 -3.036 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.052 -9.845 -3.997 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.511 -9.852 -5.128 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.317 -10.829 -3.486 1.00 0.00 N ATOM 0 H ASN A 70 -8.497 -7.105 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.823 -7.508 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.635 -8.784 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.311 -8.698 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.107 -11.653 -4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.964 -10.759 -2.532 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.341 -5.929 -2.294 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.450 -5.056 -1.950 1.00 0.00 C ATOM 1107 C ASP A 71 -12.338 -3.757 -2.752 1.00 0.00 C ATOM 1108 O ASP A 71 -13.343 -3.226 -3.223 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.428 -4.697 -0.463 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.076 -5.852 0.476 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -12.250 -7.011 0.041 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -11.641 -5.550 1.609 1.00 0.00 O ATOM 0 H ASP A 71 -10.685 -6.106 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.377 -5.581 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.709 -3.892 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.407 -4.307 -0.184 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.108 -3.284 -2.883 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.852 -2.058 -3.619 1.00 0.00 C ATOM 1119 C LEU A 72 -10.967 -2.336 -5.119 1.00 0.00 C ATOM 1120 O LEU A 72 -11.691 -1.640 -5.829 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.507 -1.456 -3.207 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.415 -0.942 -1.769 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -7.959 -0.871 -1.304 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.130 0.403 -1.620 1.00 0.00 C ATOM 0 H LEU A 72 -10.277 -3.728 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.600 -1.304 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.734 -2.210 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.278 -0.631 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.927 -1.652 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.922 -0.503 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.514 -1.865 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.402 -0.195 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.049 0.746 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.669 1.135 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.182 0.287 -1.883 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.241 -3.355 -5.557 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.253 -3.733 -6.960 1.00 0.00 C ATOM 1138 C GLY A 73 -9.165 -2.990 -7.738 1.00 0.00 C ATOM 1139 O GLY A 73 -9.284 -2.794 -8.946 1.00 0.00 O ATOM 0 H GLY A 73 -9.641 -3.930 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.100 -4.808 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.229 -3.512 -7.392 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.128 -2.597 -7.012 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.019 -1.880 -7.619 1.00 0.00 C ATOM 1145 C LEU A 74 -5.769 -2.762 -7.588 1.00 0.00 C ATOM 1146 O LEU A 74 -5.577 -3.541 -6.655 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.829 -0.520 -6.946 1.00 0.00 C ATOM 1148 CG LEU A 74 -8.071 0.371 -6.869 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.794 1.627 -6.041 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.590 0.708 -8.268 1.00 0.00 C ATOM 0 H LEU A 74 -8.033 -2.761 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.231 -1.665 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.462 -0.686 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.050 0.022 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.859 -0.183 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.693 2.243 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.507 1.340 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.985 2.195 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.473 1.342 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.816 1.235 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.852 -0.212 -8.790 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.951 -2.611 -8.619 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.725 -3.384 -8.722 1.00 0.00 C ATOM 1164 C ARG A 75 -2.507 -2.469 -8.579 1.00 0.00 C ATOM 1165 O ARG A 75 -1.377 -2.893 -8.812 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.648 -4.118 -10.062 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.418 -5.439 -10.008 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.676 -6.473 -9.158 1.00 0.00 C ATOM 1169 NE ARG A 75 -3.729 -7.799 -9.814 1.00 0.00 N ATOM 1170 CZ ARG A 75 -2.919 -8.175 -10.812 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -1.989 -7.329 -11.277 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.038 -9.398 -11.347 1.00 0.00 N ATOM 0 H ARG A 75 -5.113 -1.964 -9.391 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.728 -4.119 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.057 -3.486 -10.851 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.606 -4.311 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.412 -5.268 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.556 -5.825 -11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.639 -6.167 -9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.125 -6.530 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.426 -8.468 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.898 -6.398 -10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.373 -7.616 -12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.746 -10.042 -10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.421 -9.684 -12.107 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.780 -1.230 -8.195 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.720 -0.251 -8.018 1.00 0.00 C ATOM 1188 C GLU A 76 -2.144 0.812 -7.003 1.00 0.00 C ATOM 1189 O GLU A 76 -3.335 1.058 -6.817 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.336 0.388 -9.354 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.425 1.350 -9.835 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.012 0.889 -11.170 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -3.815 -0.069 -11.137 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -2.646 1.504 -12.194 1.00 0.00 O ATOM 0 H GLU A 76 -3.719 -0.882 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.839 -0.763 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.393 0.925 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.177 -0.390 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.216 1.412 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.009 2.352 -9.943 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.146 1.414 -6.373 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.400 2.445 -5.381 1.00 0.00 C ATOM 1203 C LEU A 77 -0.128 3.268 -5.170 1.00 0.00 C ATOM 1204 O LEU A 77 0.951 2.873 -5.608 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.954 1.827 -4.096 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.271 0.543 -3.621 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.446 0.795 -2.357 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.291 -0.580 -3.424 1.00 0.00 C ATOM 0 H LEU A 77 -0.160 1.207 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.169 3.132 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.884 2.568 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.013 1.618 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.579 0.218 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.029 -0.134 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.321 1.541 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.099 1.157 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.779 -1.481 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.025 -0.278 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.797 -0.782 -4.368 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.297 4.398 -4.498 1.00 0.00 N ATOM 1221 CA TYR A 78 0.824 5.280 -4.223 1.00 0.00 C ATOM 1222 C TYR A 78 1.080 5.389 -2.719 1.00 0.00 C ATOM 1223 O TYR A 78 0.145 5.336 -1.921 1.00 0.00 O ATOM 1224 CB TYR A 78 0.421 6.654 -4.761 1.00 0.00 C ATOM 1225 CG TYR A 78 1.339 7.793 -4.310 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.600 7.919 -4.855 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.905 8.693 -3.358 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.464 8.991 -4.431 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.768 9.764 -2.934 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.005 9.860 -3.491 1.00 0.00 C ATOM 1231 OH TYR A 78 3.821 10.872 -3.090 1.00 0.00 O ATOM 0 H TYR A 78 -1.194 4.723 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 78 1.734 4.900 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.412 6.618 -5.850 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.598 6.874 -4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.939 7.214 -5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.082 8.594 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.453 9.102 -4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.441 10.475 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 78 3.362 11.415 -2.416 1.00 0.00 H new ATOM 1241 N ALA A 79 2.351 5.540 -2.377 1.00 0.00 N ATOM 1242 CA ALA A 79 2.741 5.657 -0.982 1.00 0.00 C ATOM 1243 C ALA A 79 3.137 7.106 -0.687 1.00 0.00 C ATOM 1244 O ALA A 79 4.160 7.585 -1.173 1.00 0.00 O ATOM 1245 CB ALA A 79 3.873 4.672 -0.684 1.00 0.00 C ATOM 0 H ALA A 79 3.124 5.584 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 79 1.907 5.403 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.166 4.760 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.532 3.656 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.729 4.898 -1.320 1.00 0.00 H new ATOM 1251 N MET A 80 2.304 7.763 0.107 1.00 0.00 N ATOM 1252 CA MET A 80 2.554 9.147 0.472 1.00 0.00 C ATOM 1253 C MET A 80 3.220 9.240 1.846 1.00 0.00 C ATOM 1254 O MET A 80 2.946 8.428 2.729 1.00 0.00 O ATOM 1255 CB MET A 80 1.231 9.916 0.492 1.00 0.00 C ATOM 1256 CG MET A 80 1.470 11.410 0.719 1.00 0.00 C ATOM 1257 SD MET A 80 0.617 12.361 -0.529 1.00 0.00 S ATOM 1258 CE MET A 80 -1.032 12.361 0.156 1.00 0.00 C ATOM 0 H MET A 80 1.456 7.363 0.508 1.00 0.00 H new ATOM 0 HA MET A 80 3.227 9.583 -0.267 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.705 9.767 -0.451 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.589 9.523 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.118 11.697 1.710 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.538 11.625 0.685 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.755 12.160 -0.635 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.108 11.589 0.922 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.241 13.334 0.600 1.00 0.00 H new ATOM 1268 N ASP A 81 4.082 10.237 1.984 1.00 0.00 N ATOM 1269 CA ASP A 81 4.789 10.446 3.236 1.00 0.00 C ATOM 1270 C ASP A 81 4.168 11.633 3.975 1.00 0.00 C ATOM 1271 O ASP A 81 4.325 12.780 3.559 1.00 0.00 O ATOM 1272 CB ASP A 81 6.265 10.764 2.988 1.00 0.00 C ATOM 1273 CG ASP A 81 7.243 9.670 3.420 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.131 9.237 4.587 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.082 9.292 2.574 1.00 0.00 O ATOM 0 H ASP A 81 4.307 10.908 1.250 1.00 0.00 H new ATOM 0 HA ASP A 81 4.710 9.532 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.406 10.957 1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.517 11.684 3.515 1.00 0.00 H new ATOM 1280 N VAL A 82 3.475 11.317 5.059 1.00 0.00 N ATOM 1281 CA VAL A 82 2.829 12.343 5.860 1.00 0.00 C ATOM 1282 C VAL A 82 3.533 12.444 7.215 1.00 0.00 C ATOM 1283 O VAL A 82 4.759 12.375 7.289 1.00 0.00 O ATOM 1284 CB VAL A 82 1.333 12.046 5.984 1.00 0.00 C ATOM 1285 CG1 VAL A 82 0.695 11.861 4.606 1.00 0.00 C ATOM 1286 CG2 VAL A 82 1.089 10.823 6.871 1.00 0.00 C ATOM 0 H VAL A 82 3.347 10.365 5.401 1.00 0.00 H new ATOM 0 HA VAL A 82 2.914 13.316 5.376 1.00 0.00 H new ATOM 0 HB VAL A 82 0.859 12.904 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.368 11.651 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.823 12.771 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.175 11.028 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.018 10.633 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.583 9.954 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.492 11.009 7.866 1.00 0.00 H new ATOM 1296 N ASN A 83 2.726 12.605 8.254 1.00 0.00 N ATOM 1297 CA ASN A 83 3.257 12.717 9.603 1.00 0.00 C ATOM 1298 C ASN A 83 2.097 12.782 10.598 1.00 0.00 C ATOM 1299 O ASN A 83 1.533 13.850 10.830 1.00 0.00 O ATOM 1300 CB ASN A 83 4.090 13.989 9.763 1.00 0.00 C ATOM 1301 CG ASN A 83 4.731 14.053 11.151 1.00 0.00 C ATOM 1302 OD1 ASN A 83 5.824 13.562 11.382 1.00 0.00 O ATOM 1303 ND2 ASN A 83 3.993 14.684 12.060 1.00 0.00 N ATOM 0 H ASN A 83 1.710 12.661 8.189 1.00 0.00 H new ATOM 0 HA ASN A 83 3.888 11.848 9.791 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.866 14.018 8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.458 14.864 9.610 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.334 14.780 13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.086 15.072 11.800 1.00 0.00 H new ATOM 1310 N ARG A 84 1.775 11.626 11.160 1.00 0.00 N ATOM 1311 CA ARG A 84 0.692 11.539 12.125 1.00 0.00 C ATOM 1312 C ARG A 84 0.734 10.191 12.849 1.00 0.00 C ATOM 1313 O ARG A 84 0.998 10.136 14.049 1.00 0.00 O ATOM 1314 CB ARG A 84 -0.668 11.702 11.444 1.00 0.00 C ATOM 1315 CG ARG A 84 -1.722 12.199 12.435 1.00 0.00 C ATOM 1316 CD ARG A 84 -1.479 13.663 12.805 1.00 0.00 C ATOM 1317 NE ARG A 84 -2.593 14.166 13.640 1.00 0.00 N ATOM 1318 CZ ARG A 84 -2.834 15.464 13.869 1.00 0.00 C ATOM 1319 NH1 ARG A 84 -2.041 16.398 13.328 1.00 0.00 N ATOM 1320 NH2 ARG A 84 -3.869 15.828 14.639 1.00 0.00 N ATOM 0 H ARG A 84 2.245 10.742 10.966 1.00 0.00 H new ATOM 0 HA ARG A 84 0.824 12.347 12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.582 12.406 10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.983 10.748 11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.715 12.090 12.000 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.699 11.584 13.335 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.537 13.759 13.345 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.391 14.265 11.901 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.216 13.481 14.068 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.254 16.121 12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.224 17.386 13.502 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.473 15.117 15.051 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.052 16.816 14.813 1.00 0.00 H new ATOM 1334 N GLU A 85 0.470 9.139 12.089 1.00 0.00 N ATOM 1335 CA GLU A 85 0.474 7.796 12.643 1.00 0.00 C ATOM 1336 C GLU A 85 0.350 6.760 11.524 1.00 0.00 C ATOM 1337 O GLU A 85 0.228 7.117 10.353 1.00 0.00 O ATOM 1338 CB GLU A 85 -0.643 7.625 13.675 1.00 0.00 C ATOM 1339 CG GLU A 85 -2.019 7.787 13.025 1.00 0.00 C ATOM 1340 CD GLU A 85 -3.075 8.166 14.066 1.00 0.00 C ATOM 1341 OE1 GLU A 85 -2.858 9.191 14.748 1.00 0.00 O ATOM 1342 OE2 GLU A 85 -4.075 7.422 14.156 1.00 0.00 O ATOM 0 H GLU A 85 0.252 9.189 11.094 1.00 0.00 H new ATOM 0 HA GLU A 85 1.423 7.638 13.154 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.569 6.641 14.137 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.524 8.360 14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.972 8.555 12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.305 6.857 12.533 1.00 0.00 H new ATOM 1349 N SER A 86 0.385 5.497 11.924 1.00 0.00 N ATOM 1350 CA SER A 86 0.279 4.407 10.969 1.00 0.00 C ATOM 1351 C SER A 86 -1.193 4.082 10.708 1.00 0.00 C ATOM 1352 O SER A 86 -1.669 4.206 9.581 1.00 0.00 O ATOM 1353 CB SER A 86 1.016 3.163 11.469 1.00 0.00 C ATOM 1354 OG SER A 86 2.341 3.464 11.899 1.00 0.00 O ATOM 0 H SER A 86 0.485 5.205 12.896 1.00 0.00 H new ATOM 0 HA SER A 86 0.746 4.723 10.036 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.459 2.719 12.294 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.053 2.419 10.673 1.00 0.00 H new ATOM 0 HG SER A 86 2.928 3.545 11.118 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.873 3.673 11.769 1.00 0.00 N ATOM 1361 CA GLY A 87 -3.282 3.329 11.669 1.00 0.00 C ATOM 1362 C GLY A 87 -3.994 3.538 13.007 1.00 0.00 C ATOM 1363 O GLY A 87 -3.369 3.467 14.064 1.00 0.00 O ATOM 0 H GLY A 87 -1.475 3.572 12.703 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.756 3.941 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.385 2.290 11.357 1.00 0.00 H new ATOM 1367 N PRO A 88 -5.325 3.797 12.915 1.00 0.00 N ATOM 1368 CA PRO A 88 -6.129 4.016 14.105 1.00 0.00 C ATOM 1369 C PRO A 88 -6.401 2.699 14.834 1.00 0.00 C ATOM 1370 O PRO A 88 -7.140 1.851 14.335 1.00 0.00 O ATOM 1371 CB PRO A 88 -7.396 4.692 13.606 1.00 0.00 C ATOM 1372 CG PRO A 88 -7.460 4.407 12.114 1.00 0.00 C ATOM 1373 CD PRO A 88 -6.099 3.889 11.680 1.00 0.00 C ATOM 0 HA PRO A 88 -5.625 4.640 14.843 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.275 4.299 14.117 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.368 5.765 13.798 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.235 3.671 11.899 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.718 5.312 11.563 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.182 2.918 11.192 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.627 4.565 10.967 1.00 0.00 H new ATOM 1381 N SER A 89 -5.789 2.567 16.001 1.00 0.00 N ATOM 1382 CA SER A 89 -5.956 1.367 16.803 1.00 0.00 C ATOM 1383 C SER A 89 -6.946 1.630 17.939 1.00 0.00 C ATOM 1384 O SER A 89 -6.607 2.285 18.924 1.00 0.00 O ATOM 1385 CB SER A 89 -4.616 0.891 17.367 1.00 0.00 C ATOM 1386 OG SER A 89 -4.551 -0.530 17.462 1.00 0.00 O ATOM 0 H SER A 89 -5.176 3.272 16.411 1.00 0.00 H new ATOM 0 HA SER A 89 -6.350 0.579 16.161 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.807 1.249 16.730 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.462 1.328 18.354 1.00 0.00 H new ATOM 0 HG SER A 89 -3.680 -0.794 17.825 1.00 0.00 H new ATOM 1392 N SER A 90 -8.151 1.106 17.764 1.00 0.00 N ATOM 1393 CA SER A 90 -9.193 1.276 18.763 1.00 0.00 C ATOM 1394 C SER A 90 -9.611 -0.086 19.320 1.00 0.00 C ATOM 1395 O SER A 90 -10.540 -0.710 18.811 1.00 0.00 O ATOM 1396 CB SER A 90 -10.404 2.004 18.176 1.00 0.00 C ATOM 1397 OG SER A 90 -11.102 1.202 17.228 1.00 0.00 O ATOM 0 H SER A 90 -8.429 0.564 16.946 1.00 0.00 H new ATOM 0 HA SER A 90 -8.794 1.886 19.574 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.082 2.286 18.981 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.075 2.927 17.698 1.00 0.00 H new ATOM 0 HG SER A 90 -11.006 0.256 17.466 1.00 0.00 H new ATOM 1403 N GLY A 91 -8.904 -0.507 20.358 1.00 0.00 N ATOM 1404 CA GLY A 91 -9.190 -1.784 20.990 1.00 0.00 C ATOM 1405 C GLY A 91 -10.572 -1.773 21.647 1.00 0.00 C ATOM 1406 O GLY A 91 -11.288 -0.775 21.579 1.00 0.00 O ATOM 0 H GLY A 91 -8.134 0.013 20.777 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.143 -2.580 20.247 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.429 -2.002 21.739 1.00 0.00 H new TER 1410 GLY A 91