USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 17 SER OG : rot 113:sc= 0.312 USER MOD Set 1.2: A 20 THR OG1 : rot 91:sc= 0.159 USER MOD Single : A 1 SER N :NH3+ -179:sc= -0.146 (180deg=-0.151) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 59:sc= 0.76 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.000171 K(o=-0.00017,f=-0.69) USER MOD Single : A 10 CYS SG : rot 160:sc= -0.545 USER MOD Single : A 19 HIS : no HD1:sc= -0.845 X(o=-0.85,f=-0.63) USER MOD Single : A 34 CYS SG : rot -83:sc= 0.164 USER MOD Single : A 39 SER OG : rot -22:sc= 0.495 USER MOD Single : A 40 CYS SG : rot 19:sc= 0.924 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -5:sc= 0.165 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.07) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -2.43! (180deg=-2.94!) USER MOD Single : A 72 SER OG : rot 176:sc= 0.276 USER MOD Single : A 74 THR OG1 : rot 147:sc= -0.113 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0625 X(o=-0.062,f=-0.29) USER MOD Single : A 84 LYS NZ :NH3+ -112:sc= -2.17 (180deg=-4.24!) USER MOD Single : A 85 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.84) USER MOD Single : A 86 LYS NZ :NH3+ -135:sc= -0.427 (180deg=-0.79) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc=-0.00643 X(o=-0.0064,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.33) USER MOD Single : A 98 MET CE :methyl -179:sc= 0 (180deg=-0.00203) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -2.97 F(o=-3.9,f=-3) USER MOD Single : A 105 HIS : no HD1:sc=-0.000612 X(o=-0.00061,f=0) USER MOD Single : A 108 THR OG1 : rot -75:sc= 1.14 USER MOD Single : A 109 ASN : amide:sc= 0.355 K(o=0.35,f=-1.3!) USER MOD Single : A 110 TYR OH : rot -108:sc= -0.128 USER MOD Single : A 115 SER OG : rot -57:sc= 1.3 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 170:sc= -0.0217 (180deg=-0.158) USER MOD Single : A 120 SER OG : rot 180:sc= -0.285 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.603 9.170 -20.505 1.00 0.00 N ATOM 2 CA SER A 1 9.968 10.005 -21.680 1.00 0.00 C ATOM 3 C SER A 1 10.102 11.472 -21.287 1.00 0.00 C ATOM 4 O SER A 1 10.447 12.321 -22.107 1.00 0.00 O ATOM 5 CB SER A 1 8.910 9.854 -22.773 1.00 0.00 C ATOM 6 OG SER A 1 7.937 8.901 -22.390 1.00 0.00 O ATOM 0 H1 SER A 1 9.535 8.174 -20.795 1.00 0.00 H new ATOM 0 H2 SER A 1 10.332 9.267 -19.770 1.00 0.00 H new ATOM 0 H3 SER A 1 8.687 9.484 -20.127 1.00 0.00 H new ATOM 0 HA SER A 1 10.932 9.663 -22.058 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.432 10.816 -22.961 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.383 9.546 -23.705 1.00 0.00 H new ATOM 0 HG SER A 1 7.265 8.816 -23.099 1.00 0.00 H new ATOM 14 N GLU A 2 9.828 11.759 -20.018 1.00 0.00 N ATOM 15 CA GLU A 2 9.914 13.119 -19.500 1.00 0.00 C ATOM 16 C GLU A 2 10.300 13.111 -18.024 1.00 0.00 C ATOM 17 O GLU A 2 10.109 12.110 -17.332 1.00 0.00 O ATOM 18 CB GLU A 2 8.580 13.854 -19.700 1.00 0.00 C ATOM 19 CG GLU A 2 7.402 13.198 -18.991 1.00 0.00 C ATOM 20 CD GLU A 2 6.088 13.910 -19.252 1.00 0.00 C ATOM 21 OE1 GLU A 2 6.096 14.927 -19.977 1.00 0.00 O ATOM 22 OE2 GLU A 2 5.052 13.450 -18.729 1.00 0.00 O ATOM 0 H GLU A 2 9.543 11.064 -19.328 1.00 0.00 H new ATOM 0 HA GLU A 2 10.690 13.648 -20.054 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.683 14.878 -19.341 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.364 13.910 -20.767 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.319 12.161 -19.317 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.594 13.180 -17.918 1.00 0.00 H new ATOM 29 N PHE A 3 10.839 14.228 -17.550 1.00 0.00 N ATOM 30 CA PHE A 3 11.253 14.347 -16.157 1.00 0.00 C ATOM 31 C PHE A 3 10.646 15.591 -15.518 1.00 0.00 C ATOM 32 O PHE A 3 10.434 16.601 -16.188 1.00 0.00 O ATOM 33 CB PHE A 3 12.784 14.400 -16.047 1.00 0.00 C ATOM 34 CG PHE A 3 13.476 13.171 -16.567 1.00 0.00 C ATOM 35 CD1 PHE A 3 14.016 13.150 -17.845 1.00 0.00 C ATOM 36 CD2 PHE A 3 13.588 12.036 -15.778 1.00 0.00 C ATOM 37 CE1 PHE A 3 14.654 12.021 -18.325 1.00 0.00 C ATOM 38 CE2 PHE A 3 14.225 10.906 -16.252 1.00 0.00 C ATOM 39 CZ PHE A 3 14.758 10.897 -17.526 1.00 0.00 C ATOM 0 H PHE A 3 11.000 15.065 -18.110 1.00 0.00 H new ATOM 0 HA PHE A 3 10.893 13.467 -15.625 1.00 0.00 H new ATOM 0 HB2 PHE A 3 13.148 15.269 -16.595 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.058 14.545 -15.002 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.937 14.026 -18.472 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.172 12.036 -14.781 1.00 0.00 H new ATOM 0 HE1 PHE A 3 15.070 12.017 -19.322 1.00 0.00 H new ATOM 0 HE2 PHE A 3 14.306 10.029 -15.626 1.00 0.00 H new ATOM 0 HZ PHE A 3 15.255 10.013 -17.898 1.00 0.00 H new ATOM 49 N GLY A 4 10.371 15.512 -14.220 1.00 0.00 N ATOM 50 CA GLY A 4 9.791 16.638 -13.511 1.00 0.00 C ATOM 51 C GLY A 4 8.464 16.288 -12.866 1.00 0.00 C ATOM 52 O GLY A 4 7.449 16.162 -13.552 1.00 0.00 O ATOM 0 H GLY A 4 10.540 14.686 -13.645 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.487 16.979 -12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.648 17.467 -14.204 1.00 0.00 H new ATOM 56 N SER A 5 8.472 16.137 -11.546 1.00 0.00 N ATOM 57 CA SER A 5 7.266 15.796 -10.804 1.00 0.00 C ATOM 58 C SER A 5 7.392 16.212 -9.341 1.00 0.00 C ATOM 59 O SER A 5 8.483 16.544 -8.875 1.00 0.00 O ATOM 60 CB SER A 5 6.979 14.294 -10.915 1.00 0.00 C ATOM 61 OG SER A 5 8.031 13.520 -10.361 1.00 0.00 O ATOM 0 H SER A 5 9.305 16.246 -10.967 1.00 0.00 H new ATOM 0 HA SER A 5 6.430 16.343 -11.240 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.046 14.062 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.841 14.026 -11.962 1.00 0.00 H new ATOM 0 HG SER A 5 8.150 13.757 -9.418 1.00 0.00 H new ATOM 67 N MET A 6 6.272 16.200 -8.624 1.00 0.00 N ATOM 68 CA MET A 6 6.257 16.575 -7.213 1.00 0.00 C ATOM 69 C MET A 6 5.626 15.468 -6.374 1.00 0.00 C ATOM 70 O MET A 6 4.774 14.724 -6.861 1.00 0.00 O ATOM 71 CB MET A 6 5.485 17.884 -7.011 1.00 0.00 C ATOM 72 CG MET A 6 6.101 19.077 -7.726 1.00 0.00 C ATOM 73 SD MET A 6 5.129 20.582 -7.527 1.00 0.00 S ATOM 74 CE MET A 6 6.029 21.708 -8.592 1.00 0.00 C ATOM 0 H MET A 6 5.361 15.934 -8.998 1.00 0.00 H new ATOM 0 HA MET A 6 7.288 16.721 -6.889 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.462 17.750 -7.363 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.429 18.101 -5.944 1.00 0.00 H new ATOM 0 HG2 MET A 6 7.107 19.246 -7.343 1.00 0.00 H new ATOM 0 HG3 MET A 6 6.198 18.849 -8.788 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.549 22.686 -8.576 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.056 21.802 -8.238 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.031 21.322 -9.611 1.00 0.00 H new ATOM 84 N ALA A 7 6.044 15.365 -5.115 1.00 0.00 N ATOM 85 CA ALA A 7 5.521 14.342 -4.216 1.00 0.00 C ATOM 86 C ALA A 7 5.242 14.921 -2.834 1.00 0.00 C ATOM 87 O ALA A 7 5.890 15.880 -2.413 1.00 0.00 O ATOM 88 CB ALA A 7 6.498 13.181 -4.112 1.00 0.00 C ATOM 0 H ALA A 7 6.743 15.978 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 7 4.581 13.977 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.095 12.425 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.649 12.743 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.451 13.541 -3.725 1.00 0.00 H new ATOM 94 N GLY A 8 4.269 14.339 -2.139 1.00 0.00 N ATOM 95 CA GLY A 8 3.917 14.811 -0.811 1.00 0.00 C ATOM 96 C GLY A 8 4.806 14.233 0.277 1.00 0.00 C ATOM 97 O GLY A 8 5.552 13.281 0.044 1.00 0.00 O ATOM 0 H GLY A 8 3.717 13.548 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.984 15.899 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.879 14.551 -0.602 1.00 0.00 H new ATOM 101 N ASN A 9 4.717 14.809 1.474 1.00 0.00 N ATOM 102 CA ASN A 9 5.513 14.349 2.607 1.00 0.00 C ATOM 103 C ASN A 9 4.696 13.414 3.495 1.00 0.00 C ATOM 104 O ASN A 9 3.777 13.849 4.186 1.00 0.00 O ATOM 105 CB ASN A 9 6.014 15.541 3.427 1.00 0.00 C ATOM 106 CG ASN A 9 7.031 15.136 4.476 1.00 0.00 C ATOM 107 OD1 ASN A 9 7.848 14.243 4.252 1.00 0.00 O ATOM 108 ND2 ASN A 9 6.986 15.789 5.631 1.00 0.00 N ATOM 0 H ASN A 9 4.101 15.595 1.683 1.00 0.00 H new ATOM 0 HA ASN A 9 6.371 13.801 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.460 16.277 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.167 16.025 3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.645 15.557 6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.292 16.523 5.775 1.00 0.00 H new ATOM 115 N CYS A 10 5.035 12.130 3.471 1.00 0.00 N ATOM 116 CA CYS A 10 4.329 11.140 4.274 1.00 0.00 C ATOM 117 C CYS A 10 5.298 10.424 5.210 1.00 0.00 C ATOM 118 O CYS A 10 6.347 9.945 4.776 1.00 0.00 O ATOM 119 CB CYS A 10 3.620 10.129 3.370 1.00 0.00 C ATOM 120 SG CYS A 10 2.629 8.904 4.262 1.00 0.00 S ATOM 0 H CYS A 10 5.794 11.751 2.905 1.00 0.00 H new ATOM 0 HA CYS A 10 3.580 11.654 4.877 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.974 10.668 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.367 9.609 2.770 1.00 0.00 H new ATOM 0 HG CYS A 10 1.755 8.381 3.454 1.00 0.00 H new ATOM 126 N GLY A 11 4.950 10.366 6.494 1.00 0.00 N ATOM 127 CA GLY A 11 5.805 9.712 7.470 1.00 0.00 C ATOM 128 C GLY A 11 5.840 8.202 7.308 1.00 0.00 C ATOM 129 O GLY A 11 4.837 7.585 6.942 1.00 0.00 O ATOM 0 H GLY A 11 4.090 10.761 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.818 10.106 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.456 9.957 8.473 1.00 0.00 H new ATOM 133 N ALA A 12 6.996 7.610 7.593 1.00 0.00 N ATOM 134 CA ALA A 12 7.172 6.166 7.480 1.00 0.00 C ATOM 135 C ALA A 12 6.600 5.441 8.695 1.00 0.00 C ATOM 136 O ALA A 12 6.566 5.988 9.800 1.00 0.00 O ATOM 137 CB ALA A 12 8.644 5.825 7.303 1.00 0.00 C ATOM 0 H ALA A 12 7.828 8.111 7.905 1.00 0.00 H new ATOM 0 HA ALA A 12 6.624 5.829 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.760 4.744 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.021 6.301 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.207 6.185 8.164 1.00 0.00 H new ATOM 143 N ARG A 13 6.153 4.208 8.483 1.00 0.00 N ATOM 144 CA ARG A 13 5.584 3.398 9.556 1.00 0.00 C ATOM 145 C ARG A 13 6.683 2.822 10.447 1.00 0.00 C ATOM 146 O ARG A 13 7.790 2.543 9.983 1.00 0.00 O ATOM 147 CB ARG A 13 4.726 2.269 8.974 1.00 0.00 C ATOM 148 CG ARG A 13 3.245 2.613 8.866 1.00 0.00 C ATOM 149 CD ARG A 13 3.010 3.830 7.986 1.00 0.00 C ATOM 150 NE ARG A 13 1.594 4.021 7.681 1.00 0.00 N ATOM 151 CZ ARG A 13 1.099 5.126 7.131 1.00 0.00 C ATOM 152 NH1 ARG A 13 -0.201 5.211 6.872 1.00 0.00 N ATOM 153 NH2 ARG A 13 1.898 6.148 6.848 1.00 0.00 N ATOM 0 H ARG A 13 6.174 3.745 7.574 1.00 0.00 H new ATOM 0 HA ARG A 13 4.951 4.041 10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.103 2.013 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.839 1.382 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.703 1.760 8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.842 2.801 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.396 4.718 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.569 3.719 7.057 1.00 0.00 H new ATOM 0 HE ARG A 13 0.948 3.263 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.818 4.430 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.583 6.058 6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.895 6.087 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.514 6.994 6.426 1.00 0.00 H new ATOM 167 N GLY A 14 6.370 2.651 11.727 1.00 0.00 N ATOM 168 CA GLY A 14 7.340 2.117 12.669 1.00 0.00 C ATOM 169 C GLY A 14 7.348 0.599 12.718 1.00 0.00 C ATOM 170 O GLY A 14 6.666 -0.057 11.931 1.00 0.00 O ATOM 0 H GLY A 14 5.460 2.873 12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.334 2.471 12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.124 2.506 13.664 1.00 0.00 H new ATOM 174 N ALA A 15 8.130 0.047 13.647 1.00 0.00 N ATOM 175 CA ALA A 15 8.242 -1.402 13.812 1.00 0.00 C ATOM 176 C ALA A 15 6.902 -2.032 14.191 1.00 0.00 C ATOM 177 O ALA A 15 6.557 -3.113 13.712 1.00 0.00 O ATOM 178 CB ALA A 15 9.294 -1.734 14.861 1.00 0.00 C ATOM 0 H ALA A 15 8.698 0.586 14.300 1.00 0.00 H new ATOM 0 HA ALA A 15 8.547 -1.821 12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.367 -2.816 14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.259 -1.336 14.547 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.010 -1.288 15.814 1.00 0.00 H new ATOM 184 N LEU A 16 6.154 -1.355 15.057 1.00 0.00 N ATOM 185 CA LEU A 16 4.851 -1.850 15.489 1.00 0.00 C ATOM 186 C LEU A 16 3.825 -1.668 14.376 1.00 0.00 C ATOM 187 O LEU A 16 3.584 -0.550 13.916 1.00 0.00 O ATOM 188 CB LEU A 16 4.387 -1.125 16.761 1.00 0.00 C ATOM 189 CG LEU A 16 4.764 0.359 16.849 1.00 0.00 C ATOM 190 CD1 LEU A 16 3.528 1.208 17.102 1.00 0.00 C ATOM 191 CD2 LEU A 16 5.800 0.582 17.943 1.00 0.00 C ATOM 0 H LEU A 16 6.427 -0.464 15.473 1.00 0.00 H new ATOM 0 HA LEU A 16 4.945 -2.912 15.715 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.303 -1.211 16.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.806 -1.640 17.625 1.00 0.00 H new ATOM 0 HG LEU A 16 5.200 0.662 15.897 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.814 2.258 17.162 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.819 1.071 16.286 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.064 0.904 18.040 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.056 1.640 17.991 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.391 0.263 18.902 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.696 0.002 17.720 1.00 0.00 H new ATOM 203 N SER A 17 3.223 -2.768 13.940 1.00 0.00 N ATOM 204 CA SER A 17 2.244 -2.716 12.867 1.00 0.00 C ATOM 205 C SER A 17 0.857 -2.338 13.392 1.00 0.00 C ATOM 206 O SER A 17 0.184 -3.135 14.047 1.00 0.00 O ATOM 207 CB SER A 17 2.197 -4.078 12.175 1.00 0.00 C ATOM 208 OG SER A 17 2.292 -5.132 13.120 1.00 0.00 O ATOM 0 H SER A 17 3.396 -3.702 14.312 1.00 0.00 H new ATOM 0 HA SER A 17 2.542 -1.946 12.155 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.268 -4.172 11.612 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.014 -4.154 11.457 1.00 0.00 H new ATOM 0 HG SER A 17 1.443 -5.621 13.151 1.00 0.00 H new ATOM 214 N ALA A 18 0.433 -1.115 13.077 1.00 0.00 N ATOM 215 CA ALA A 18 -0.878 -0.618 13.486 1.00 0.00 C ATOM 216 C ALA A 18 -1.927 -0.905 12.416 1.00 0.00 C ATOM 217 O ALA A 18 -3.121 -0.693 12.620 1.00 0.00 O ATOM 218 CB ALA A 18 -0.812 0.873 13.779 1.00 0.00 C ATOM 0 H ALA A 18 0.983 -0.447 12.537 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.171 -1.140 14.397 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.797 1.228 14.082 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.097 1.055 14.582 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.494 1.406 12.883 1.00 0.00 H new ATOM 224 N HIS A 19 -1.457 -1.393 11.277 1.00 0.00 N ATOM 225 CA HIS A 19 -2.319 -1.694 10.140 1.00 0.00 C ATOM 226 C HIS A 19 -2.566 -3.194 10.009 1.00 0.00 C ATOM 227 O HIS A 19 -2.886 -3.671 8.934 1.00 0.00 O ATOM 228 CB HIS A 19 -1.699 -1.158 8.846 1.00 0.00 C ATOM 229 CG HIS A 19 -1.632 0.337 8.784 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.646 1.085 9.390 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.453 1.227 8.172 1.00 0.00 C ATOM 232 CE1 HIS A 19 -0.894 2.377 9.134 1.00 0.00 C ATOM 233 NE2 HIS A 19 -1.980 2.517 8.399 1.00 0.00 N ATOM 0 H HIS A 19 -0.470 -1.592 11.114 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.277 -1.204 10.313 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.692 -1.563 8.741 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.279 -1.522 7.998 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.334 0.975 7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.284 3.197 9.484 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.389 3.390 8.066 1.00 0.00 H new ATOM 240 N THR A 20 -2.390 -3.937 11.096 1.00 0.00 N ATOM 241 CA THR A 20 -2.580 -5.386 11.053 1.00 0.00 C ATOM 242 C THR A 20 -4.060 -5.784 11.095 1.00 0.00 C ATOM 243 O THR A 20 -4.739 -5.581 12.102 1.00 0.00 O ATOM 244 CB THR A 20 -1.856 -6.066 12.235 1.00 0.00 C ATOM 245 OG1 THR A 20 -0.504 -5.603 12.312 1.00 0.00 O ATOM 246 CG2 THR A 20 -1.861 -7.581 12.082 1.00 0.00 C ATOM 0 H THR A 20 -2.120 -3.568 12.008 1.00 0.00 H new ATOM 0 HA THR A 20 -2.158 -5.721 10.106 1.00 0.00 H new ATOM 0 HB THR A 20 -2.388 -5.806 13.150 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.460 -4.818 12.897 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.344 -8.034 12.928 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.890 -7.940 12.050 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.352 -7.855 11.158 1.00 0.00 H new ATOM 254 N LEU A 21 -4.539 -6.368 9.992 1.00 0.00 N ATOM 255 CA LEU A 21 -5.920 -6.848 9.875 1.00 0.00 C ATOM 256 C LEU A 21 -6.004 -7.947 8.814 1.00 0.00 C ATOM 257 O LEU A 21 -5.070 -8.133 8.035 1.00 0.00 O ATOM 258 CB LEU A 21 -6.899 -5.711 9.553 1.00 0.00 C ATOM 259 CG LEU A 21 -7.371 -4.898 10.765 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.099 -3.640 10.323 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.267 -5.745 11.659 1.00 0.00 C ATOM 0 H LEU A 21 -3.979 -6.522 9.153 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.212 -7.259 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.425 -5.034 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.772 -6.134 9.056 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.492 -4.599 11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.424 -3.080 11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.428 -3.022 9.726 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.968 -3.914 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.593 -5.152 12.514 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.138 -6.075 11.093 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.712 -6.615 12.011 1.00 0.00 H new ATOM 273 N LEU A 22 -7.118 -8.680 8.803 1.00 0.00 N ATOM 274 CA LEU A 22 -7.315 -9.787 7.860 1.00 0.00 C ATOM 275 C LEU A 22 -7.328 -9.337 6.389 1.00 0.00 C ATOM 276 O LEU A 22 -6.639 -9.923 5.556 1.00 0.00 O ATOM 277 CB LEU A 22 -8.620 -10.522 8.188 1.00 0.00 C ATOM 278 CG LEU A 22 -8.959 -11.704 7.271 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.895 -12.788 7.372 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.330 -12.267 7.616 1.00 0.00 C ATOM 0 H LEU A 22 -7.902 -8.528 9.438 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.462 -10.455 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.564 -10.885 9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.441 -9.806 8.147 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.981 -11.344 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.156 -13.616 6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.929 -12.379 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.837 -13.146 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.556 -13.105 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.333 -12.609 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.085 -11.491 7.488 1.00 0.00 H new ATOM 292 N PHE A 23 -8.114 -8.308 6.067 1.00 0.00 N ATOM 293 CA PHE A 23 -8.206 -7.825 4.683 1.00 0.00 C ATOM 294 C PHE A 23 -7.070 -6.866 4.335 1.00 0.00 C ATOM 295 O PHE A 23 -6.579 -6.843 3.206 1.00 0.00 O ATOM 296 CB PHE A 23 -9.552 -7.136 4.445 1.00 0.00 C ATOM 297 CG PHE A 23 -10.724 -8.078 4.433 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.393 -8.391 5.608 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.157 -8.649 3.250 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.470 -9.255 5.599 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.233 -9.516 3.233 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.891 -9.819 4.410 1.00 0.00 C ATOM 0 H PHE A 23 -8.691 -7.796 6.735 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.122 -8.696 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.708 -6.387 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.515 -6.606 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.067 -7.954 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.647 -8.414 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.983 -9.490 6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.559 -9.956 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.733 -10.495 4.400 1.00 0.00 H new ATOM 312 N ASP A 24 -6.667 -6.069 5.311 1.00 0.00 N ATOM 313 CA ASP A 24 -5.595 -5.101 5.125 1.00 0.00 C ATOM 314 C ASP A 24 -4.382 -5.477 5.957 1.00 0.00 C ATOM 315 O ASP A 24 -4.131 -4.866 6.983 1.00 0.00 O ATOM 316 CB ASP A 24 -6.037 -3.658 5.422 1.00 0.00 C ATOM 317 CG ASP A 24 -6.950 -3.528 6.622 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.181 -3.656 6.448 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.438 -3.302 7.733 1.00 0.00 O ATOM 0 H ASP A 24 -7.069 -6.073 6.248 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.322 -5.132 4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.151 -3.044 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.547 -3.257 4.546 1.00 0.00 H new ATOM 324 N LEU A 25 -3.700 -6.547 5.541 1.00 0.00 N ATOM 325 CA LEU A 25 -2.495 -7.054 6.213 1.00 0.00 C ATOM 326 C LEU A 25 -1.564 -5.914 6.666 1.00 0.00 C ATOM 327 O LEU A 25 -1.596 -4.823 6.093 1.00 0.00 O ATOM 328 CB LEU A 25 -1.736 -7.993 5.268 1.00 0.00 C ATOM 329 CG LEU A 25 -2.524 -9.226 4.811 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.745 -10.005 3.764 1.00 0.00 C ATOM 331 CD2 LEU A 25 -2.869 -10.114 5.994 1.00 0.00 C ATOM 0 H LEU A 25 -3.969 -7.092 4.722 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.815 -7.594 7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.430 -7.429 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.825 -8.326 5.765 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.455 -8.885 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.323 -10.876 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.558 -9.367 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.795 -10.332 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.428 -10.983 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.951 -10.444 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.476 -9.553 6.705 1.00 0.00 H new ATOM 343 N PRO A 26 -0.724 -6.176 7.704 1.00 0.00 N ATOM 344 CA PRO A 26 0.227 -5.206 8.294 1.00 0.00 C ATOM 345 C PRO A 26 0.913 -4.275 7.280 1.00 0.00 C ATOM 346 O PRO A 26 0.939 -4.552 6.079 1.00 0.00 O ATOM 347 CB PRO A 26 1.277 -6.109 8.974 1.00 0.00 C ATOM 348 CG PRO A 26 0.816 -7.523 8.782 1.00 0.00 C ATOM 349 CD PRO A 26 -0.634 -7.458 8.407 1.00 0.00 C ATOM 0 HA PRO A 26 -0.296 -4.520 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.262 -5.959 8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.365 -5.871 10.034 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.396 -8.016 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.954 -8.102 9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.926 -8.292 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.281 -7.486 9.284 1.00 0.00 H new ATOM 357 N PRO A 27 1.528 -3.167 7.782 1.00 0.00 N ATOM 358 CA PRO A 27 2.210 -2.155 6.957 1.00 0.00 C ATOM 359 C PRO A 27 3.196 -2.709 5.934 1.00 0.00 C ATOM 360 O PRO A 27 3.689 -1.966 5.102 1.00 0.00 O ATOM 361 CB PRO A 27 2.971 -1.308 7.965 1.00 0.00 C ATOM 362 CG PRO A 27 2.169 -1.406 9.203 1.00 0.00 C ATOM 363 CD PRO A 27 1.581 -2.796 9.210 1.00 0.00 C ATOM 0 HA PRO A 27 1.470 -1.622 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.983 -1.683 8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.060 -0.275 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.790 -1.241 10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.384 -0.650 9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.200 -3.489 9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.590 -2.808 9.663 1.00 0.00 H new ATOM 371 N ALA A 28 3.490 -3.999 6.000 1.00 0.00 N ATOM 372 CA ALA A 28 4.417 -4.616 5.066 1.00 0.00 C ATOM 373 C ALA A 28 3.977 -4.358 3.625 1.00 0.00 C ATOM 374 O ALA A 28 4.814 -4.182 2.744 1.00 0.00 O ATOM 375 CB ALA A 28 4.515 -6.110 5.332 1.00 0.00 C ATOM 0 H ALA A 28 3.099 -4.639 6.692 1.00 0.00 H new ATOM 0 HA ALA A 28 5.402 -4.171 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.212 -6.560 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.871 -6.276 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.532 -6.566 5.212 1.00 0.00 H new ATOM 381 N LEU A 29 2.664 -4.336 3.384 1.00 0.00 N ATOM 382 CA LEU A 29 2.171 -4.081 2.038 1.00 0.00 C ATOM 383 C LEU A 29 1.534 -2.693 1.887 1.00 0.00 C ATOM 384 O LEU A 29 2.175 -1.768 1.398 1.00 0.00 O ATOM 385 CB LEU A 29 1.171 -5.155 1.617 1.00 0.00 C ATOM 386 CG LEU A 29 1.271 -5.563 0.154 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.678 -6.044 -0.155 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.252 -6.640 -0.175 1.00 0.00 C ATOM 0 H LEU A 29 1.942 -4.488 4.088 1.00 0.00 H new ATOM 0 HA LEU A 29 3.042 -4.112 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.319 -6.037 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.162 -4.793 1.813 1.00 0.00 H new ATOM 0 HG LEU A 29 1.053 -4.694 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.741 -6.334 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.389 -5.242 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.915 -6.902 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.341 -6.917 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.435 -7.516 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.752 -6.262 0.017 1.00 0.00 H new ATOM 400 N LEU A 30 0.287 -2.541 2.338 1.00 0.00 N ATOM 401 CA LEU A 30 -0.436 -1.271 2.201 1.00 0.00 C ATOM 402 C LEU A 30 0.230 -0.113 2.947 1.00 0.00 C ATOM 403 O LEU A 30 0.415 0.958 2.372 1.00 0.00 O ATOM 404 CB LEU A 30 -1.883 -1.434 2.695 1.00 0.00 C ATOM 405 CG LEU A 30 -2.759 -0.179 2.593 1.00 0.00 C ATOM 406 CD1 LEU A 30 -2.928 0.252 1.143 1.00 0.00 C ATOM 407 CD2 LEU A 30 -4.116 -0.422 3.238 1.00 0.00 C ATOM 0 H LEU A 30 -0.244 -3.279 2.801 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.421 -1.019 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.356 -2.234 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.859 -1.756 3.736 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.258 0.627 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.553 1.144 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.951 0.472 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.401 -0.551 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.724 0.479 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.618 -1.246 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.979 -0.673 4.290 1.00 0.00 H new ATOM 419 N GLY A 31 0.608 -0.331 4.204 1.00 0.00 N ATOM 420 CA GLY A 31 1.210 0.740 4.994 1.00 0.00 C ATOM 421 C GLY A 31 2.503 1.291 4.412 1.00 0.00 C ATOM 422 O GLY A 31 2.642 2.501 4.235 1.00 0.00 O ATOM 0 H GLY A 31 0.511 -1.222 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.491 1.554 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.406 0.368 6.000 1.00 0.00 H new ATOM 426 N GLU A 32 3.438 0.405 4.095 1.00 0.00 N ATOM 427 CA GLU A 32 4.728 0.806 3.547 1.00 0.00 C ATOM 428 C GLU A 32 4.622 1.325 2.114 1.00 0.00 C ATOM 429 O GLU A 32 5.237 2.334 1.779 1.00 0.00 O ATOM 430 CB GLU A 32 5.704 -0.370 3.625 1.00 0.00 C ATOM 431 CG GLU A 32 7.151 -0.004 3.308 1.00 0.00 C ATOM 432 CD GLU A 32 7.487 -0.145 1.835 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.817 -0.941 1.146 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.424 0.536 1.375 1.00 0.00 O ATOM 0 H GLU A 32 3.326 -0.602 4.209 1.00 0.00 H new ATOM 0 HA GLU A 32 5.101 1.635 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.660 -0.798 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.377 -1.146 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.338 1.023 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.817 -0.641 3.890 1.00 0.00 H new ATOM 441 N LEU A 33 3.844 0.647 1.274 1.00 0.00 N ATOM 442 CA LEU A 33 3.715 1.060 -0.120 1.00 0.00 C ATOM 443 C LEU A 33 2.990 2.400 -0.267 1.00 0.00 C ATOM 444 O LEU A 33 3.358 3.206 -1.117 1.00 0.00 O ATOM 445 CB LEU A 33 3.029 -0.022 -0.963 1.00 0.00 C ATOM 446 CG LEU A 33 3.821 -1.325 -1.113 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.013 -2.356 -1.886 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.158 -1.070 -1.790 1.00 0.00 C ATOM 0 H LEU A 33 3.301 -0.178 1.529 1.00 0.00 H new ATOM 0 HA LEU A 33 4.729 1.198 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.062 -0.252 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.832 0.382 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 33 4.017 -1.721 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.592 -3.274 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.086 -2.566 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.781 -1.968 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.702 -2.009 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.990 -0.646 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.742 -0.372 -1.191 1.00 0.00 H new ATOM 460 N CYS A 34 1.958 2.645 0.541 1.00 0.00 N ATOM 461 CA CYS A 34 1.228 3.910 0.448 1.00 0.00 C ATOM 462 C CYS A 34 2.033 5.071 1.037 1.00 0.00 C ATOM 463 O CYS A 34 1.904 6.209 0.590 1.00 0.00 O ATOM 464 CB CYS A 34 -0.137 3.827 1.143 1.00 0.00 C ATOM 465 SG CYS A 34 -0.063 3.821 2.951 1.00 0.00 S ATOM 0 H CYS A 34 1.614 2.000 1.253 1.00 0.00 H new ATOM 0 HA CYS A 34 1.069 4.098 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.746 4.671 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.645 2.922 0.810 1.00 0.00 H new ATOM 0 HG CYS A 34 0.164 2.612 3.372 1.00 0.00 H new ATOM 471 N ALA A 35 2.861 4.782 2.041 1.00 0.00 N ATOM 472 CA ALA A 35 3.660 5.818 2.694 1.00 0.00 C ATOM 473 C ALA A 35 4.981 6.099 1.977 1.00 0.00 C ATOM 474 O ALA A 35 5.248 7.234 1.579 1.00 0.00 O ATOM 475 CB ALA A 35 3.930 5.435 4.140 1.00 0.00 C ATOM 0 H ALA A 35 2.995 3.844 2.418 1.00 0.00 H new ATOM 0 HA ALA A 35 3.075 6.736 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.526 6.213 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.984 5.326 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.474 4.491 4.171 1.00 0.00 H new ATOM 481 N VAL A 36 5.799 5.063 1.817 1.00 0.00 N ATOM 482 CA VAL A 36 7.112 5.203 1.189 1.00 0.00 C ATOM 483 C VAL A 36 7.023 5.640 -0.277 1.00 0.00 C ATOM 484 O VAL A 36 7.746 6.546 -0.700 1.00 0.00 O ATOM 485 CB VAL A 36 7.936 3.898 1.316 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.211 3.966 0.486 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.269 3.629 2.777 1.00 0.00 C ATOM 0 H VAL A 36 5.576 4.113 2.114 1.00 0.00 H new ATOM 0 HA VAL A 36 7.627 5.997 1.730 1.00 0.00 H new ATOM 0 HB VAL A 36 7.331 3.077 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.767 3.035 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.955 4.113 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.825 4.798 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.848 2.709 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.851 4.459 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.346 3.526 3.347 1.00 0.00 H new ATOM 497 N LEU A 37 6.134 5.021 -1.055 1.00 0.00 N ATOM 498 CA LEU A 37 6.004 5.380 -2.465 1.00 0.00 C ATOM 499 C LEU A 37 5.330 6.738 -2.636 1.00 0.00 C ATOM 500 O LEU A 37 5.432 7.358 -3.689 1.00 0.00 O ATOM 501 CB LEU A 37 5.257 4.316 -3.268 1.00 0.00 C ATOM 502 CG LEU A 37 5.908 2.933 -3.296 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.087 1.985 -4.146 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.333 3.020 -3.817 1.00 0.00 C ATOM 0 H LEU A 37 5.505 4.283 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 37 7.018 5.443 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.252 4.217 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.150 4.669 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 37 5.943 2.546 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.561 1.004 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.084 1.898 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.025 2.370 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.778 2.025 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.326 3.426 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.919 3.671 -3.168 1.00 0.00 H new ATOM 516 N ASP A 38 4.621 7.197 -1.607 1.00 0.00 N ATOM 517 CA ASP A 38 3.956 8.497 -1.660 1.00 0.00 C ATOM 518 C ASP A 38 4.984 9.610 -1.851 1.00 0.00 C ATOM 519 O ASP A 38 4.740 10.585 -2.556 1.00 0.00 O ATOM 520 CB ASP A 38 3.150 8.752 -0.384 1.00 0.00 C ATOM 521 CG ASP A 38 2.240 9.957 -0.502 1.00 0.00 C ATOM 522 OD1 ASP A 38 1.808 10.267 -1.630 1.00 0.00 O ATOM 523 OD2 ASP A 38 1.956 10.589 0.538 1.00 0.00 O ATOM 0 H ASP A 38 4.492 6.691 -0.731 1.00 0.00 H new ATOM 0 HA ASP A 38 3.271 8.490 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.552 7.870 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.835 8.899 0.451 1.00 0.00 H new ATOM 528 N SER A 39 6.136 9.443 -1.209 1.00 0.00 N ATOM 529 CA SER A 39 7.220 10.416 -1.299 1.00 0.00 C ATOM 530 C SER A 39 8.096 10.150 -2.526 1.00 0.00 C ATOM 531 O SER A 39 9.091 10.841 -2.752 1.00 0.00 O ATOM 532 CB SER A 39 8.068 10.388 -0.024 1.00 0.00 C ATOM 533 OG SER A 39 8.711 9.133 0.149 1.00 0.00 O ATOM 0 H SER A 39 6.344 8.638 -0.618 1.00 0.00 H new ATOM 0 HA SER A 39 6.778 11.407 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.817 11.178 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.435 10.595 0.839 1.00 0.00 H new ATOM 0 HG SER A 39 8.229 8.446 -0.358 1.00 0.00 H new ATOM 539 N CYS A 40 7.724 9.135 -3.305 1.00 0.00 N ATOM 540 CA CYS A 40 8.468 8.761 -4.505 1.00 0.00 C ATOM 541 C CYS A 40 8.452 9.875 -5.543 1.00 0.00 C ATOM 542 O CYS A 40 7.429 10.516 -5.774 1.00 0.00 O ATOM 543 CB CYS A 40 7.901 7.482 -5.117 1.00 0.00 C ATOM 544 SG CYS A 40 8.782 6.916 -6.583 1.00 0.00 S ATOM 0 H CYS A 40 6.906 8.554 -3.124 1.00 0.00 H new ATOM 0 HA CYS A 40 9.501 8.587 -4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.922 6.692 -4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.855 7.648 -5.376 1.00 0.00 H new ATOM 0 HG CYS A 40 9.960 7.464 -6.620 1.00 0.00 H new ATOM 550 N ASP A 41 9.593 10.079 -6.178 1.00 0.00 N ATOM 551 CA ASP A 41 9.741 11.118 -7.185 1.00 0.00 C ATOM 552 C ASP A 41 10.333 10.527 -8.458 1.00 0.00 C ATOM 553 O ASP A 41 11.261 11.079 -9.047 1.00 0.00 O ATOM 554 CB ASP A 41 10.634 12.245 -6.659 1.00 0.00 C ATOM 555 CG ASP A 41 10.408 13.554 -7.386 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.301 13.746 -7.932 1.00 0.00 O ATOM 557 OD2 ASP A 41 11.336 14.390 -7.406 1.00 0.00 O ATOM 0 H ASP A 41 10.439 9.533 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 41 8.758 11.532 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.445 12.387 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.679 11.953 -6.761 1.00 0.00 H new ATOM 562 N GLY A 42 9.792 9.384 -8.864 1.00 0.00 N ATOM 563 CA GLY A 42 10.262 8.713 -10.062 1.00 0.00 C ATOM 564 C GLY A 42 11.334 7.673 -9.782 1.00 0.00 C ATOM 565 O GLY A 42 11.682 6.892 -10.668 1.00 0.00 O ATOM 0 H GLY A 42 9.031 8.907 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.418 8.232 -10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.657 9.455 -10.756 1.00 0.00 H new ATOM 569 N ALA A 43 11.862 7.662 -8.556 1.00 0.00 N ATOM 570 CA ALA A 43 12.896 6.697 -8.175 1.00 0.00 C ATOM 571 C ALA A 43 12.369 5.263 -8.237 1.00 0.00 C ATOM 572 O ALA A 43 13.051 4.360 -8.718 1.00 0.00 O ATOM 573 CB ALA A 43 13.422 7.009 -6.782 1.00 0.00 C ATOM 0 H ALA A 43 11.592 8.307 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 43 13.715 6.783 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.190 6.284 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.850 8.011 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.604 6.956 -6.064 1.00 0.00 H new ATOM 579 N LEU A 44 11.152 5.065 -7.739 1.00 0.00 N ATOM 580 CA LEU A 44 10.514 3.749 -7.762 1.00 0.00 C ATOM 581 C LEU A 44 9.292 3.796 -8.662 1.00 0.00 C ATOM 582 O LEU A 44 8.849 2.778 -9.191 1.00 0.00 O ATOM 583 CB LEU A 44 10.082 3.298 -6.352 1.00 0.00 C ATOM 584 CG LEU A 44 11.215 2.877 -5.402 1.00 0.00 C ATOM 585 CD1 LEU A 44 12.305 2.120 -6.150 1.00 0.00 C ATOM 586 CD2 LEU A 44 11.796 4.089 -4.689 1.00 0.00 C ATOM 0 H LEU A 44 10.586 5.799 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 44 11.243 3.032 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.528 4.112 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.392 2.461 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 44 10.794 2.206 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.093 1.835 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.880 1.225 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.722 2.758 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.596 3.769 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.194 4.788 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.014 4.579 -4.109 1.00 0.00 H new ATOM 598 N GLY A 45 8.762 5.003 -8.832 1.00 0.00 N ATOM 599 CA GLY A 45 7.578 5.198 -9.633 1.00 0.00 C ATOM 600 C GLY A 45 6.323 4.861 -8.855 1.00 0.00 C ATOM 601 O GLY A 45 6.095 3.695 -8.537 1.00 0.00 O ATOM 0 H GLY A 45 9.141 5.856 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.532 6.233 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.633 4.574 -10.525 1.00 0.00 H new ATOM 605 N TRP A 46 5.521 5.874 -8.518 1.00 0.00 N ATOM 606 CA TRP A 46 4.269 5.644 -7.785 1.00 0.00 C ATOM 607 C TRP A 46 3.431 4.561 -8.474 1.00 0.00 C ATOM 608 O TRP A 46 2.969 3.618 -7.833 1.00 0.00 O ATOM 609 CB TRP A 46 3.465 6.949 -7.660 1.00 0.00 C ATOM 610 CG TRP A 46 3.500 7.816 -8.886 1.00 0.00 C ATOM 611 CD1 TRP A 46 2.648 7.770 -9.951 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.433 8.866 -9.165 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.003 8.716 -10.883 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.093 9.404 -10.421 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.526 9.401 -8.477 1.00 0.00 C ATOM 616 CZ2 TRP A 46 4.807 10.450 -11.002 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.232 10.439 -9.053 1.00 0.00 C ATOM 618 CH2 TRP A 46 5.870 10.954 -10.303 1.00 0.00 C ATOM 0 H TRP A 46 5.711 6.852 -8.737 1.00 0.00 H new ATOM 0 HA TRP A 46 4.520 5.299 -6.782 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.428 6.703 -7.433 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.850 7.520 -6.815 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.815 7.089 -10.048 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.532 8.879 -11.773 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.813 9.010 -7.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.532 10.848 -11.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.078 10.860 -8.530 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.442 11.767 -10.725 1.00 0.00 H new ATOM 629 N ARG A 47 3.230 4.713 -9.781 1.00 0.00 N ATOM 630 CA ARG A 47 2.494 3.731 -10.572 1.00 0.00 C ATOM 631 C ARG A 47 3.390 2.584 -11.021 1.00 0.00 C ATOM 632 O ARG A 47 2.932 1.711 -11.726 1.00 0.00 O ATOM 633 CB ARG A 47 1.827 4.356 -11.802 1.00 0.00 C ATOM 634 CG ARG A 47 2.798 5.016 -12.770 1.00 0.00 C ATOM 635 CD ARG A 47 2.063 5.801 -13.845 1.00 0.00 C ATOM 636 NE ARG A 47 2.983 6.454 -14.773 1.00 0.00 N ATOM 637 CZ ARG A 47 3.480 5.868 -15.863 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.318 6.530 -16.648 1.00 0.00 N ATOM 639 NH2 ARG A 47 3.135 4.622 -16.165 1.00 0.00 N ATOM 0 H ARG A 47 3.569 5.512 -10.317 1.00 0.00 H new ATOM 0 HA ARG A 47 1.716 3.343 -9.914 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.272 3.583 -12.333 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.101 5.098 -11.470 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.464 5.683 -12.222 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.423 4.254 -13.237 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.406 5.130 -14.398 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.429 6.552 -13.375 1.00 0.00 H new ATOM 0 HE ARG A 47 3.262 7.415 -14.576 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.583 7.488 -16.418 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.698 6.082 -17.482 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.489 4.112 -15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.516 4.175 -16.999 1.00 0.00 H new ATOM 653 N GLY A 48 4.662 2.593 -10.639 1.00 0.00 N ATOM 654 CA GLY A 48 5.571 1.545 -11.086 1.00 0.00 C ATOM 655 C GLY A 48 5.102 0.149 -10.723 1.00 0.00 C ATOM 656 O GLY A 48 5.069 -0.734 -11.579 1.00 0.00 O ATOM 0 H GLY A 48 5.081 3.299 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.688 1.612 -12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.555 1.716 -10.648 1.00 0.00 H new ATOM 660 N LEU A 49 4.729 -0.055 -9.466 1.00 0.00 N ATOM 661 CA LEU A 49 4.245 -1.359 -9.027 1.00 0.00 C ATOM 662 C LEU A 49 2.858 -1.660 -9.598 1.00 0.00 C ATOM 663 O LEU A 49 2.581 -2.783 -10.024 1.00 0.00 O ATOM 664 CB LEU A 49 4.211 -1.421 -7.499 1.00 0.00 C ATOM 665 CG LEU A 49 5.578 -1.347 -6.816 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.413 -1.288 -5.309 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.435 -2.539 -7.208 1.00 0.00 C ATOM 0 H LEU A 49 4.751 0.659 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 49 4.934 -2.116 -9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.594 -0.601 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.722 -2.348 -7.199 1.00 0.00 H new ATOM 0 HG LEU A 49 6.080 -0.438 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.394 -1.236 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.834 -0.404 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.892 -2.181 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.403 -2.469 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.938 -3.460 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.579 -2.544 -8.288 1.00 0.00 H new ATOM 679 N ALA A 50 1.989 -0.645 -9.601 1.00 0.00 N ATOM 680 CA ALA A 50 0.625 -0.791 -10.118 1.00 0.00 C ATOM 681 C ALA A 50 0.594 -1.085 -11.613 1.00 0.00 C ATOM 682 O ALA A 50 -0.182 -1.921 -12.073 1.00 0.00 O ATOM 683 CB ALA A 50 -0.177 0.465 -9.836 1.00 0.00 C ATOM 0 H ALA A 50 2.206 0.288 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 50 0.182 -1.644 -9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.188 0.346 -10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.219 0.636 -8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.299 1.317 -10.321 1.00 0.00 H new ATOM 689 N GLU A 51 1.454 -0.395 -12.354 1.00 0.00 N ATOM 690 CA GLU A 51 1.536 -0.526 -13.802 1.00 0.00 C ATOM 691 C GLU A 51 1.890 -1.956 -14.201 1.00 0.00 C ATOM 692 O GLU A 51 1.331 -2.499 -15.154 1.00 0.00 O ATOM 693 CB GLU A 51 2.591 0.443 -14.360 1.00 0.00 C ATOM 694 CG GLU A 51 2.730 0.414 -15.878 1.00 0.00 C ATOM 695 CD GLU A 51 1.512 0.968 -16.598 1.00 0.00 C ATOM 696 OE1 GLU A 51 0.692 1.647 -15.944 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.387 0.732 -17.816 1.00 0.00 O ATOM 0 H GLU A 51 2.117 0.274 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 51 0.560 -0.281 -14.221 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.337 1.456 -14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.557 0.206 -13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.609 0.990 -16.168 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.901 -0.613 -16.202 1.00 0.00 H new ATOM 704 N ARG A 52 2.839 -2.546 -13.476 1.00 0.00 N ATOM 705 CA ARG A 52 3.273 -3.911 -13.748 1.00 0.00 C ATOM 706 C ARG A 52 2.138 -4.907 -13.511 1.00 0.00 C ATOM 707 O ARG A 52 1.966 -5.852 -14.278 1.00 0.00 O ATOM 708 CB ARG A 52 4.476 -4.279 -12.872 1.00 0.00 C ATOM 709 CG ARG A 52 5.732 -3.479 -13.188 1.00 0.00 C ATOM 710 CD ARG A 52 6.937 -3.990 -12.415 1.00 0.00 C ATOM 711 NE ARG A 52 8.116 -3.149 -12.616 1.00 0.00 N ATOM 712 CZ ARG A 52 8.912 -3.216 -13.681 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.978 -2.429 -13.761 1.00 0.00 N ATOM 714 NH2 ARG A 52 8.640 -4.058 -14.671 1.00 0.00 N ATOM 0 H ARG A 52 3.321 -2.098 -12.696 1.00 0.00 H new ATOM 0 HA ARG A 52 3.566 -3.962 -14.797 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.212 -4.126 -11.826 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.692 -5.340 -12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.937 -3.532 -14.257 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.564 -2.429 -12.947 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.696 -4.028 -11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.162 -5.010 -12.728 1.00 0.00 H new ATOM 0 HE ARG A 52 8.343 -2.466 -11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.186 -1.774 -13.007 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.589 -2.479 -14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.817 -4.658 -14.618 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.254 -4.104 -15.484 1.00 0.00 H new ATOM 728 N LEU A 53 1.377 -4.699 -12.434 1.00 0.00 N ATOM 729 CA LEU A 53 0.264 -5.589 -12.110 1.00 0.00 C ATOM 730 C LEU A 53 -0.890 -5.427 -13.104 1.00 0.00 C ATOM 731 O LEU A 53 -1.457 -6.415 -13.575 1.00 0.00 O ATOM 732 CB LEU A 53 -0.228 -5.346 -10.675 1.00 0.00 C ATOM 733 CG LEU A 53 -1.365 -6.265 -10.213 1.00 0.00 C ATOM 734 CD1 LEU A 53 -0.925 -7.720 -10.245 1.00 0.00 C ATOM 735 CD2 LEU A 53 -1.826 -5.882 -8.816 1.00 0.00 C ATOM 0 H LEU A 53 1.510 -3.929 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 53 0.630 -6.613 -12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.614 -5.465 -9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.561 -4.312 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.203 -6.143 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.746 -8.356 -9.914 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.643 -7.992 -11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.070 -7.856 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.633 -6.545 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.992 -5.974 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.183 -4.852 -8.820 1.00 0.00 H new ATOM 747 N SER A 54 -1.244 -4.180 -13.410 1.00 0.00 N ATOM 748 CA SER A 54 -2.329 -3.904 -14.351 1.00 0.00 C ATOM 749 C SER A 54 -2.049 -2.637 -15.157 1.00 0.00 C ATOM 750 O SER A 54 -1.565 -1.643 -14.619 1.00 0.00 O ATOM 751 CB SER A 54 -3.656 -3.762 -13.604 1.00 0.00 C ATOM 752 OG SER A 54 -3.998 -4.966 -12.935 1.00 0.00 O ATOM 0 H SER A 54 -0.798 -3.348 -13.023 1.00 0.00 H new ATOM 0 HA SER A 54 -2.395 -4.744 -15.043 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.585 -2.949 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.446 -3.496 -14.307 1.00 0.00 H new ATOM 0 HG SER A 54 -4.849 -4.848 -12.464 1.00 0.00 H new ATOM 758 N SER A 55 -2.372 -2.665 -16.445 1.00 0.00 N ATOM 759 CA SER A 55 -2.154 -1.507 -17.303 1.00 0.00 C ATOM 760 C SER A 55 -3.471 -1.033 -17.918 1.00 0.00 C ATOM 761 O SER A 55 -4.141 -1.787 -18.620 1.00 0.00 O ATOM 762 CB SER A 55 -1.157 -1.851 -18.413 1.00 0.00 C ATOM 763 OG SER A 55 0.092 -2.252 -17.875 1.00 0.00 O ATOM 0 H SER A 55 -2.783 -3.471 -16.915 1.00 0.00 H new ATOM 0 HA SER A 55 -1.746 -0.702 -16.692 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.562 -2.650 -19.034 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.016 -0.985 -19.060 1.00 0.00 H new ATOM 0 HG SER A 55 0.078 -2.144 -16.901 1.00 0.00 H new ATOM 769 N SER A 56 -3.836 0.219 -17.643 1.00 0.00 N ATOM 770 CA SER A 56 -5.070 0.792 -18.178 1.00 0.00 C ATOM 771 C SER A 56 -4.996 2.317 -18.184 1.00 0.00 C ATOM 772 O SER A 56 -4.463 2.921 -17.252 1.00 0.00 O ATOM 773 CB SER A 56 -6.276 0.326 -17.357 1.00 0.00 C ATOM 774 OG SER A 56 -7.484 0.882 -17.852 1.00 0.00 O ATOM 0 H SER A 56 -3.296 0.854 -17.055 1.00 0.00 H new ATOM 0 HA SER A 56 -5.190 0.446 -19.205 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.337 -0.762 -17.382 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.142 0.614 -16.314 1.00 0.00 H new ATOM 0 HG SER A 56 -8.236 0.565 -17.309 1.00 0.00 H new ATOM 780 N TRP A 57 -5.536 2.928 -19.238 1.00 0.00 N ATOM 781 CA TRP A 57 -5.544 4.386 -19.378 1.00 0.00 C ATOM 782 C TRP A 57 -6.345 5.045 -18.255 1.00 0.00 C ATOM 783 O TRP A 57 -5.913 6.035 -17.663 1.00 0.00 O ATOM 784 CB TRP A 57 -6.118 4.787 -20.742 1.00 0.00 C ATOM 785 CG TRP A 57 -6.126 6.268 -20.980 1.00 0.00 C ATOM 786 CD1 TRP A 57 -7.218 7.089 -21.002 1.00 0.00 C ATOM 787 CD2 TRP A 57 -4.990 7.103 -21.230 1.00 0.00 C ATOM 788 NE1 TRP A 57 -6.829 8.384 -21.250 1.00 0.00 N ATOM 789 CE2 TRP A 57 -5.466 8.418 -21.393 1.00 0.00 C ATOM 790 CE3 TRP A 57 -3.615 6.867 -21.334 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -4.617 9.491 -21.652 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -2.772 7.935 -21.588 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.277 9.231 -21.745 1.00 0.00 C ATOM 0 H TRP A 57 -5.977 2.433 -20.013 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.514 4.735 -19.309 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -5.536 4.305 -21.527 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -7.137 4.409 -20.823 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.237 6.768 -20.847 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.453 9.188 -21.317 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.218 5.869 -21.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.002 10.492 -21.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -1.708 7.766 -21.666 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.594 10.044 -21.944 1.00 0.00 H new ATOM 804 N LEU A 58 -7.520 4.494 -17.971 1.00 0.00 N ATOM 805 CA LEU A 58 -8.385 5.027 -16.921 1.00 0.00 C ATOM 806 C LEU A 58 -7.738 4.871 -15.544 1.00 0.00 C ATOM 807 O LEU A 58 -7.842 5.756 -14.695 1.00 0.00 O ATOM 808 CB LEU A 58 -9.749 4.326 -16.938 1.00 0.00 C ATOM 809 CG LEU A 58 -10.827 4.996 -17.799 1.00 0.00 C ATOM 810 CD1 LEU A 58 -10.976 6.465 -17.431 1.00 0.00 C ATOM 811 CD2 LEU A 58 -10.507 4.845 -19.280 1.00 0.00 C ATOM 0 H LEU A 58 -7.897 3.678 -18.453 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.530 6.089 -17.117 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.608 3.305 -17.293 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.116 4.260 -15.914 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.775 4.496 -17.602 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.746 6.920 -18.054 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.261 6.550 -16.382 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.028 6.978 -17.592 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.285 5.328 -19.871 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.546 5.312 -19.494 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.461 3.787 -19.536 1.00 0.00 H new ATOM 823 N ASP A 59 -7.069 3.738 -15.338 1.00 0.00 N ATOM 824 CA ASP A 59 -6.407 3.448 -14.066 1.00 0.00 C ATOM 825 C ASP A 59 -5.296 4.450 -13.753 1.00 0.00 C ATOM 826 O ASP A 59 -5.212 4.953 -12.634 1.00 0.00 O ATOM 827 CB ASP A 59 -5.835 2.029 -14.070 1.00 0.00 C ATOM 828 CG ASP A 59 -5.217 1.650 -12.738 1.00 0.00 C ATOM 829 OD1 ASP A 59 -5.970 1.529 -11.750 1.00 0.00 O ATOM 830 OD2 ASP A 59 -3.984 1.470 -12.688 1.00 0.00 O ATOM 0 H ASP A 59 -6.971 3.003 -16.038 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.164 3.534 -13.287 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.628 1.322 -14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.082 1.946 -14.853 1.00 0.00 H new ATOM 835 N VAL A 60 -4.450 4.752 -14.744 1.00 0.00 N ATOM 836 CA VAL A 60 -3.346 5.688 -14.531 1.00 0.00 C ATOM 837 C VAL A 60 -3.843 7.124 -14.363 1.00 0.00 C ATOM 838 O VAL A 60 -3.172 7.949 -13.744 1.00 0.00 O ATOM 839 CB VAL A 60 -2.288 5.624 -15.659 1.00 0.00 C ATOM 840 CG1 VAL A 60 -1.654 4.242 -15.714 1.00 0.00 C ATOM 841 CG2 VAL A 60 -2.886 5.991 -17.008 1.00 0.00 C ATOM 0 H VAL A 60 -4.508 4.368 -15.687 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.866 5.375 -13.604 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.514 6.357 -15.431 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.912 4.213 -16.512 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.170 4.025 -14.761 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.424 3.496 -15.908 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.114 5.935 -17.776 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.690 5.296 -17.251 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.283 7.005 -16.966 1.00 0.00 H new ATOM 851 N ASP A 61 -5.018 7.417 -14.924 1.00 0.00 N ATOM 852 CA ASP A 61 -5.613 8.745 -14.803 1.00 0.00 C ATOM 853 C ASP A 61 -5.907 9.052 -13.337 1.00 0.00 C ATOM 854 O ASP A 61 -5.614 10.140 -12.843 1.00 0.00 O ATOM 855 CB ASP A 61 -6.898 8.830 -15.633 1.00 0.00 C ATOM 856 CG ASP A 61 -7.508 10.217 -15.628 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.844 11.158 -16.114 1.00 0.00 O ATOM 858 OD2 ASP A 61 -8.653 10.359 -15.152 1.00 0.00 O ATOM 0 H ASP A 61 -5.573 6.753 -15.464 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.907 9.484 -15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.682 8.537 -16.660 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.625 8.117 -15.244 1.00 0.00 H new ATOM 863 N HIS A 62 -6.485 8.068 -12.651 1.00 0.00 N ATOM 864 CA HIS A 62 -6.811 8.193 -11.233 1.00 0.00 C ATOM 865 C HIS A 62 -5.541 8.188 -10.380 1.00 0.00 C ATOM 866 O HIS A 62 -5.514 8.759 -9.287 1.00 0.00 O ATOM 867 CB HIS A 62 -7.750 7.064 -10.800 1.00 0.00 C ATOM 868 CG HIS A 62 -8.627 7.432 -9.643 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.813 8.121 -9.771 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.470 7.203 -8.316 1.00 0.00 C ATOM 871 CE1 HIS A 62 -10.327 8.285 -8.544 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.550 7.745 -7.627 1.00 0.00 N ATOM 0 H HIS A 62 -6.739 7.168 -13.059 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.318 9.146 -11.082 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.376 6.778 -11.645 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.156 6.190 -10.533 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.638 6.682 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.257 8.793 -8.334 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.708 7.728 -6.619 1.00 0.00 H new ATOM 879 N ILE A 63 -4.488 7.532 -10.884 1.00 0.00 N ATOM 880 CA ILE A 63 -3.208 7.460 -10.178 1.00 0.00 C ATOM 881 C ILE A 63 -2.637 8.864 -9.954 1.00 0.00 C ATOM 882 O ILE A 63 -2.114 9.175 -8.884 1.00 0.00 O ATOM 883 CB ILE A 63 -2.183 6.574 -10.928 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.604 5.104 -10.839 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.778 6.762 -10.368 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.812 4.183 -11.744 1.00 0.00 C ATOM 0 H ILE A 63 -4.500 7.044 -11.779 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.397 6.996 -9.210 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.166 6.878 -11.975 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.495 4.767 -9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.662 5.023 -11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.081 6.127 -10.914 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.480 7.805 -10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.767 6.488 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.169 3.160 -11.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.941 4.493 -12.781 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.756 4.232 -11.479 1.00 0.00 H new ATOM 898 N GLU A 64 -2.725 9.700 -10.973 1.00 0.00 N ATOM 899 CA GLU A 64 -2.250 11.073 -10.873 1.00 0.00 C ATOM 900 C GLU A 64 -3.093 11.871 -9.868 1.00 0.00 C ATOM 901 O GLU A 64 -2.582 12.729 -9.152 1.00 0.00 O ATOM 902 CB GLU A 64 -2.294 11.749 -12.245 1.00 0.00 C ATOM 903 CG GLU A 64 -1.263 11.206 -13.226 1.00 0.00 C ATOM 904 CD GLU A 64 -1.442 11.749 -14.630 1.00 0.00 C ATOM 905 OE1 GLU A 64 -2.506 12.339 -14.910 1.00 0.00 O ATOM 906 OE2 GLU A 64 -0.515 11.585 -15.450 1.00 0.00 O ATOM 0 H GLU A 64 -3.121 9.454 -11.880 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.219 11.052 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.290 11.624 -12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.134 12.820 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.263 11.455 -12.870 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.330 10.118 -13.251 1.00 0.00 H new ATOM 913 N LYS A 65 -4.392 11.582 -9.845 1.00 0.00 N ATOM 914 CA LYS A 65 -5.343 12.280 -8.971 1.00 0.00 C ATOM 915 C LYS A 65 -5.095 12.092 -7.460 1.00 0.00 C ATOM 916 O LYS A 65 -5.063 13.075 -6.718 1.00 0.00 O ATOM 917 CB LYS A 65 -6.757 11.808 -9.319 1.00 0.00 C ATOM 918 CG LYS A 65 -7.227 12.275 -10.686 1.00 0.00 C ATOM 919 CD LYS A 65 -8.604 11.725 -11.028 1.00 0.00 C ATOM 920 CE LYS A 65 -9.073 12.219 -12.386 1.00 0.00 C ATOM 921 NZ LYS A 65 -10.408 11.671 -12.748 1.00 0.00 N ATOM 0 H LYS A 65 -4.818 10.861 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.207 13.346 -9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.788 10.719 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.451 12.171 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.255 13.364 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.511 11.959 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.574 10.635 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.319 12.026 -10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.118 13.308 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.346 11.934 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.690 12.033 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.360 10.633 -12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.108 11.964 -12.037 1.00 0.00 H new ATOM 935 N GLU A 66 -4.913 10.850 -6.992 1.00 0.00 N ATOM 936 CA GLU A 66 -4.710 10.620 -5.550 1.00 0.00 C ATOM 937 C GLU A 66 -3.242 10.664 -5.127 1.00 0.00 C ATOM 938 O GLU A 66 -2.949 10.525 -3.942 1.00 0.00 O ATOM 939 CB GLU A 66 -5.358 9.313 -5.050 1.00 0.00 C ATOM 940 CG GLU A 66 -6.649 8.944 -5.771 1.00 0.00 C ATOM 941 CD GLU A 66 -7.831 9.784 -5.325 1.00 0.00 C ATOM 942 OE1 GLU A 66 -8.512 9.383 -4.358 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.072 10.845 -5.938 1.00 0.00 O ATOM 0 H GLU A 66 -4.901 10.009 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.219 11.458 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.644 8.498 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.564 9.407 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.508 9.065 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.870 7.891 -5.595 1.00 0.00 H new ATOM 950 N VAL A 67 -2.318 10.827 -6.075 1.00 0.00 N ATOM 951 CA VAL A 67 -0.891 10.873 -5.730 1.00 0.00 C ATOM 952 C VAL A 67 -0.605 11.973 -4.695 1.00 0.00 C ATOM 953 O VAL A 67 0.264 11.819 -3.838 1.00 0.00 O ATOM 954 CB VAL A 67 0.006 11.057 -6.984 1.00 0.00 C ATOM 955 CG1 VAL A 67 -0.045 12.482 -7.518 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.442 10.651 -6.682 1.00 0.00 C ATOM 0 H VAL A 67 -2.523 10.928 -7.069 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.641 9.909 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.388 10.403 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.597 12.565 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.070 12.731 -7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.301 13.172 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.054 10.787 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.833 11.271 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.468 9.604 -6.381 1.00 0.00 H new ATOM 966 N ASP A 68 -1.356 13.071 -4.771 1.00 0.00 N ATOM 967 CA ASP A 68 -1.202 14.181 -3.826 1.00 0.00 C ATOM 968 C ASP A 68 -2.095 13.978 -2.601 1.00 0.00 C ATOM 969 O ASP A 68 -2.056 14.763 -1.657 1.00 0.00 O ATOM 970 CB ASP A 68 -1.537 15.518 -4.495 1.00 0.00 C ATOM 971 CG ASP A 68 -0.491 15.951 -5.503 1.00 0.00 C ATOM 972 OD1 ASP A 68 0.620 15.382 -5.492 1.00 0.00 O ATOM 973 OD2 ASP A 68 -0.786 16.861 -6.306 1.00 0.00 O ATOM 0 H ASP A 68 -2.078 13.218 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.161 14.201 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.503 15.437 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.637 16.287 -3.729 1.00 0.00 H new ATOM 978 N GLN A 69 -2.900 12.921 -2.634 1.00 0.00 N ATOM 979 CA GLN A 69 -3.830 12.609 -1.552 1.00 0.00 C ATOM 980 C GLN A 69 -3.353 11.420 -0.715 1.00 0.00 C ATOM 981 O GLN A 69 -4.150 10.775 -0.035 1.00 0.00 O ATOM 982 CB GLN A 69 -5.224 12.314 -2.116 1.00 0.00 C ATOM 983 CG GLN A 69 -5.831 13.467 -2.901 1.00 0.00 C ATOM 984 CD GLN A 69 -6.008 14.719 -2.064 1.00 0.00 C ATOM 985 OE1 GLN A 69 -6.665 14.696 -1.024 1.00 0.00 O ATOM 986 NE2 GLN A 69 -5.423 15.822 -2.511 1.00 0.00 N ATOM 0 H GLN A 69 -2.927 12.258 -3.408 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.875 13.483 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.165 11.439 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.891 12.058 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.194 13.694 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.799 13.161 -3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.887 15.799 -3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.509 16.693 -1.987 1.00 0.00 H new ATOM 995 N GLY A 70 -2.056 11.133 -0.759 1.00 0.00 N ATOM 996 CA GLY A 70 -1.525 10.017 0.009 1.00 0.00 C ATOM 997 C GLY A 70 -1.210 8.783 -0.819 1.00 0.00 C ATOM 998 O GLY A 70 -1.166 7.686 -0.267 1.00 0.00 O ATOM 0 H GLY A 70 -1.366 11.647 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.617 10.340 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.245 9.748 0.782 1.00 0.00 H new ATOM 1002 N LYS A 71 -1.034 8.979 -2.142 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.669 7.914 -3.104 1.00 0.00 C ATOM 1004 C LYS A 71 -1.892 7.328 -3.806 1.00 0.00 C ATOM 1005 O LYS A 71 -2.958 7.162 -3.221 1.00 0.00 O ATOM 1006 CB LYS A 71 0.153 6.786 -2.450 1.00 0.00 C ATOM 1007 CG LYS A 71 0.371 5.557 -3.331 1.00 0.00 C ATOM 1008 CD LYS A 71 1.171 5.880 -4.591 1.00 0.00 C ATOM 1009 CE LYS A 71 2.534 6.433 -4.258 1.00 0.00 C ATOM 1010 NZ LYS A 71 2.660 7.874 -4.617 1.00 0.00 N ATOM 0 H LYS A 71 -1.143 9.894 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.042 8.397 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.125 7.185 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.349 6.474 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.893 4.791 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.595 5.140 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.281 4.978 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.623 6.602 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.724 6.308 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.296 5.861 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.661 8.155 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.293 8.026 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.114 8.449 -3.944 1.00 0.00 H new ATOM 1024 N SER A 72 -1.716 7.041 -5.091 1.00 0.00 N ATOM 1025 CA SER A 72 -2.754 6.447 -5.918 1.00 0.00 C ATOM 1026 C SER A 72 -2.200 5.256 -6.688 1.00 0.00 C ATOM 1027 O SER A 72 -2.929 4.333 -7.021 1.00 0.00 O ATOM 1028 CB SER A 72 -3.291 7.476 -6.889 1.00 0.00 C ATOM 1029 OG SER A 72 -4.557 7.092 -7.394 1.00 0.00 O ATOM 0 H SER A 72 -0.843 7.216 -5.589 1.00 0.00 H new ATOM 0 HA SER A 72 -3.562 6.105 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.373 8.442 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.590 7.602 -7.714 1.00 0.00 H new ATOM 0 HG SER A 72 -4.912 7.806 -7.964 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.906 5.285 -6.986 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.304 4.180 -7.704 1.00 0.00 C ATOM 1037 C GLY A 73 -0.517 2.865 -6.989 1.00 0.00 C ATOM 1038 O GLY A 73 -1.189 1.973 -7.495 1.00 0.00 O ATOM 0 H GLY A 73 -0.270 6.045 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.729 4.122 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.764 4.361 -7.821 1.00 0.00 H new ATOM 1042 N THR A 74 0.032 2.755 -5.793 1.00 0.00 N ATOM 1043 CA THR A 74 -0.117 1.550 -5.005 1.00 0.00 C ATOM 1044 C THR A 74 -1.366 1.587 -4.124 1.00 0.00 C ATOM 1045 O THR A 74 -2.063 0.581 -3.989 1.00 0.00 O ATOM 1046 CB THR A 74 1.129 1.316 -4.133 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.771 2.568 -3.859 1.00 0.00 O ATOM 1048 CG2 THR A 74 2.097 0.373 -4.826 1.00 0.00 C ATOM 0 H THR A 74 0.585 3.487 -5.348 1.00 0.00 H new ATOM 0 HA THR A 74 -0.229 0.724 -5.707 1.00 0.00 H new ATOM 0 HB THR A 74 0.818 0.859 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.172 2.541 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.972 0.220 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.607 -0.584 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.408 0.805 -5.777 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.648 2.752 -3.534 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.792 2.900 -2.631 1.00 0.00 C ATOM 1058 C ARG A 75 -4.125 2.644 -3.328 1.00 0.00 C ATOM 1059 O ARG A 75 -4.939 1.864 -2.843 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.824 4.302 -2.017 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.865 4.438 -0.919 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.870 5.823 -0.302 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.856 5.936 0.771 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.071 7.050 1.462 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -5.984 7.071 2.424 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -4.373 8.143 1.186 1.00 0.00 N ATOM 0 H ARG A 75 -1.102 3.603 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.660 2.150 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.841 4.539 -1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.030 5.032 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.852 4.221 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.671 3.697 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.879 6.050 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.085 6.563 -1.073 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.411 5.112 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.523 6.231 2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.147 7.927 2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.673 8.127 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.536 9.000 1.715 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.333 3.288 -4.473 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.580 3.142 -5.224 1.00 0.00 C ATOM 1082 C GLU A 76 -5.758 1.714 -5.730 1.00 0.00 C ATOM 1083 O GLU A 76 -6.868 1.188 -5.733 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.633 4.146 -6.383 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.890 4.053 -7.226 1.00 0.00 C ATOM 1086 CD GLU A 76 -8.160 4.352 -6.447 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -8.068 5.010 -5.389 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -9.243 3.927 -6.896 1.00 0.00 O ATOM 0 H GLU A 76 -3.655 3.917 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.407 3.357 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.553 5.155 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.766 3.990 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.812 4.750 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.960 3.052 -7.652 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.663 1.100 -6.173 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.705 -0.271 -6.671 1.00 0.00 C ATOM 1097 C LEU A 77 -5.187 -1.221 -5.573 1.00 0.00 C ATOM 1098 O LEU A 77 -6.050 -2.068 -5.803 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.313 -0.688 -7.163 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.201 -2.109 -7.730 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.076 -2.268 -8.964 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.751 -2.430 -8.056 1.00 0.00 C ATOM 0 H LEU A 77 -3.738 1.530 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.406 -0.324 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.995 0.016 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.612 -0.592 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.553 -2.812 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.981 -3.283 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.116 -2.076 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.759 -1.559 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.684 -3.441 -8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.378 -1.720 -8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.150 -2.359 -7.149 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.622 -1.068 -4.377 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.996 -1.899 -3.232 1.00 0.00 C ATOM 1116 C LEU A 78 -6.398 -1.538 -2.718 1.00 0.00 C ATOM 1117 O LEU A 78 -7.192 -2.410 -2.366 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.957 -1.737 -2.110 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.526 -2.146 -2.482 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.587 -1.955 -1.302 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.483 -3.586 -2.974 1.00 0.00 C ATOM 0 H LEU A 78 -3.902 -0.375 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.017 -2.940 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.949 -0.695 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.276 -2.330 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.191 -1.500 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.578 -2.251 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.587 -0.907 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.922 -2.570 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.458 -3.852 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.844 -4.250 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.117 -3.689 -3.855 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.694 -0.238 -2.706 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.979 0.292 -2.224 1.00 0.00 C ATOM 1135 C TRP A 79 -9.126 0.048 -3.213 1.00 0.00 C ATOM 1136 O TRP A 79 -10.283 0.335 -2.907 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.846 1.795 -1.950 1.00 0.00 C ATOM 1138 CG TRP A 79 -8.789 2.313 -0.904 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -9.957 2.987 -1.116 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.635 2.212 0.518 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -10.543 3.304 0.087 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -9.750 2.839 1.105 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -7.664 1.648 1.351 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -9.920 2.919 2.485 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -7.833 1.729 2.721 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.954 2.359 3.274 1.00 0.00 C ATOM 0 H TRP A 79 -6.050 0.483 -3.031 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.225 -0.241 -1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -6.823 2.008 -1.639 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.016 2.339 -2.879 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.362 3.235 -2.086 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -11.424 3.804 0.203 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.798 1.158 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.783 3.405 2.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.088 1.299 3.375 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.058 2.404 4.348 1.00 0.00 H new ATOM 1157 N SER A 80 -8.804 -0.469 -4.396 1.00 0.00 N ATOM 1158 CA SER A 80 -9.805 -0.709 -5.438 1.00 0.00 C ATOM 1159 C SER A 80 -10.925 -1.643 -4.970 1.00 0.00 C ATOM 1160 O SER A 80 -12.094 -1.408 -5.284 1.00 0.00 O ATOM 1161 CB SER A 80 -9.136 -1.285 -6.689 1.00 0.00 C ATOM 1162 OG SER A 80 -10.082 -1.520 -7.721 1.00 0.00 O ATOM 0 H SER A 80 -7.854 -0.731 -4.660 1.00 0.00 H new ATOM 0 HA SER A 80 -10.260 0.253 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.371 -0.595 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.631 -2.218 -6.437 1.00 0.00 H new ATOM 0 HG SER A 80 -9.625 -1.886 -8.507 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.583 -2.708 -4.252 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.600 -3.638 -3.764 1.00 0.00 C ATOM 1170 C TRP A 81 -12.184 -3.162 -2.430 1.00 0.00 C ATOM 1171 O TRP A 81 -13.176 -2.437 -2.402 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.007 -5.041 -3.614 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.013 -5.833 -4.886 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.952 -6.066 -5.716 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.135 -6.508 -5.470 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.348 -6.839 -6.780 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.683 -7.121 -6.652 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.478 -6.646 -5.107 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.526 -7.865 -7.474 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.315 -7.386 -5.925 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.836 -7.986 -7.095 1.00 0.00 C ATOM 0 H TRP A 81 -9.625 -2.948 -3.997 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.408 -3.673 -4.495 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.982 -4.957 -3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.569 -5.585 -2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.950 -5.696 -5.558 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.746 -7.152 -7.542 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.855 -6.185 -4.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.160 -8.330 -8.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.354 -7.502 -5.656 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.514 -8.557 -7.712 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.573 -3.588 -1.328 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.018 -3.177 0.002 1.00 0.00 C ATOM 1194 C ALA A 82 -11.014 -2.197 0.596 1.00 0.00 C ATOM 1195 O ALA A 82 -11.166 -0.982 0.483 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.202 -4.389 0.907 1.00 0.00 C ATOM 0 H ALA A 82 -10.770 -4.217 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.984 -2.680 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.533 -4.061 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.950 -5.055 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.255 -4.920 1.001 1.00 0.00 H new ATOM 1202 N GLN A 83 -9.988 -2.744 1.239 1.00 0.00 N ATOM 1203 CA GLN A 83 -8.922 -1.938 1.816 1.00 0.00 C ATOM 1204 C GLN A 83 -7.646 -2.213 1.032 1.00 0.00 C ATOM 1205 O GLN A 83 -7.013 -1.301 0.506 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.722 -2.261 3.299 1.00 0.00 C ATOM 1207 CG GLN A 83 -9.722 -1.577 4.223 1.00 0.00 C ATOM 1208 CD GLN A 83 -11.103 -2.200 4.160 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -11.251 -3.419 4.244 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -12.124 -1.366 4.015 1.00 0.00 N ATOM 0 H GLN A 83 -9.873 -3.749 1.373 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.186 -0.882 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.793 -3.340 3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.714 -1.968 3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.354 -1.624 5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.792 -0.522 3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.957 -0.362 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.076 -1.729 3.969 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.265 -3.487 0.985 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.107 -3.913 0.210 1.00 0.00 C ATOM 1221 C LYS A 84 -6.480 -5.131 -0.637 1.00 0.00 C ATOM 1222 O LYS A 84 -6.129 -5.205 -1.816 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.909 -4.222 1.123 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.803 -5.013 0.433 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.513 -5.036 1.236 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.708 -5.666 2.604 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.339 -7.011 2.512 1.00 0.00 N ATOM 0 H LYS A 84 -7.743 -4.242 1.476 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.807 -3.099 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.496 -3.285 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.259 -4.783 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.142 -6.036 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.609 -4.579 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.753 -5.591 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.141 -4.018 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.744 -5.751 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.330 -5.015 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.297 -6.973 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.394 -7.301 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.767 -7.700 3.042 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.222 -6.066 -0.018 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.691 -7.301 -0.671 1.00 0.00 C ATOM 1243 C ASN A 85 -6.591 -7.993 -1.476 1.00 0.00 C ATOM 1244 O ASN A 85 -6.857 -8.611 -2.508 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.893 -7.019 -1.572 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.208 -7.345 -0.893 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.346 -7.200 0.320 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -11.184 -7.793 -1.674 1.00 0.00 N ATOM 0 H ASN A 85 -7.515 -5.985 0.956 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.990 -7.978 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.888 -5.969 -1.864 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.804 -7.604 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.090 -8.031 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.027 -7.899 -2.676 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.367 -7.896 -0.985 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.217 -8.492 -1.643 1.00 0.00 C ATOM 1257 C LYS A 86 -3.316 -9.127 -0.602 1.00 0.00 C ATOM 1258 O LYS A 86 -3.502 -8.912 0.591 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.436 -7.427 -2.424 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.453 -7.624 -3.932 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.752 -7.134 -4.551 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.080 -7.890 -5.829 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.969 -7.826 -6.817 1.00 0.00 N ATOM 0 H LYS A 86 -5.143 -7.403 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.563 -9.253 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.850 -6.446 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.402 -7.426 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.614 -7.090 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.317 -8.681 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.566 -7.256 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.674 -6.068 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.292 -8.932 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.984 -7.475 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.355 -7.619 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.303 -7.076 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.472 -8.739 -6.840 1.00 0.00 H new ATOM 1277 N THR A 87 -2.343 -9.904 -1.040 1.00 0.00 N ATOM 1278 CA THR A 87 -1.435 -10.538 -0.104 1.00 0.00 C ATOM 1279 C THR A 87 -0.005 -10.085 -0.360 1.00 0.00 C ATOM 1280 O THR A 87 0.328 -9.627 -1.459 1.00 0.00 O ATOM 1281 CB THR A 87 -1.508 -12.076 -0.171 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.086 -12.537 -1.462 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.923 -12.566 0.105 1.00 0.00 C ATOM 0 H THR A 87 -2.163 -10.109 -2.023 1.00 0.00 H new ATOM 0 HA THR A 87 -1.745 -10.232 0.895 1.00 0.00 H new ATOM 0 HB THR A 87 -0.843 -12.478 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.135 -13.515 -1.492 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.948 -13.654 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.232 -12.244 1.099 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.603 -12.151 -0.639 1.00 0.00 H new ATOM 1291 N ILE A 88 0.835 -10.220 0.662 1.00 0.00 N ATOM 1292 CA ILE A 88 2.233 -9.822 0.576 1.00 0.00 C ATOM 1293 C ILE A 88 2.954 -10.583 -0.540 1.00 0.00 C ATOM 1294 O ILE A 88 3.778 -10.012 -1.252 1.00 0.00 O ATOM 1295 CB ILE A 88 2.933 -10.008 1.951 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.861 -8.695 2.747 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.379 -10.465 1.800 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.487 -8.386 3.294 1.00 0.00 C ATOM 0 H ILE A 88 0.566 -10.606 1.567 1.00 0.00 H new ATOM 0 HA ILE A 88 2.279 -8.763 0.320 1.00 0.00 H new ATOM 0 HB ILE A 88 2.407 -10.793 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.568 -8.744 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.179 -7.874 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.828 -10.582 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.406 -11.419 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.938 -9.721 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.517 -7.445 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.778 -8.303 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.173 -9.187 3.964 1.00 0.00 H new ATOM 1310 N GLY A 89 2.621 -11.863 -0.697 1.00 0.00 N ATOM 1311 CA GLY A 89 3.228 -12.673 -1.741 1.00 0.00 C ATOM 1312 C GLY A 89 2.923 -12.157 -3.142 1.00 0.00 C ATOM 1313 O GLY A 89 3.787 -12.182 -4.019 1.00 0.00 O ATOM 0 H GLY A 89 1.940 -12.354 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.308 -12.696 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.872 -13.699 -1.651 1.00 0.00 H new ATOM 1317 N ASP A 90 1.684 -11.704 -3.351 1.00 0.00 N ATOM 1318 CA ASP A 90 1.254 -11.184 -4.652 1.00 0.00 C ATOM 1319 C ASP A 90 2.045 -9.938 -5.054 1.00 0.00 C ATOM 1320 O ASP A 90 2.509 -9.831 -6.188 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.243 -10.864 -4.627 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.767 -10.424 -5.979 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.721 -11.237 -6.925 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.236 -9.271 -6.088 1.00 0.00 O ATOM 0 H ASP A 90 0.959 -11.687 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 90 1.448 -11.958 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.794 -11.745 -4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.431 -10.078 -3.895 1.00 0.00 H new ATOM 1329 N LEU A 91 2.194 -9.002 -4.120 1.00 0.00 N ATOM 1330 CA LEU A 91 2.931 -7.762 -4.389 1.00 0.00 C ATOM 1331 C LEU A 91 4.441 -8.002 -4.386 1.00 0.00 C ATOM 1332 O LEU A 91 5.192 -7.264 -5.014 1.00 0.00 O ATOM 1333 CB LEU A 91 2.580 -6.683 -3.357 1.00 0.00 C ATOM 1334 CG LEU A 91 1.657 -5.552 -3.841 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.227 -4.878 -5.079 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.259 -6.084 -4.120 1.00 0.00 C ATOM 0 H LEU A 91 1.818 -9.074 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 91 2.635 -7.417 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.108 -7.168 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.508 -6.238 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 91 1.592 -4.807 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.556 -4.082 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.205 -4.456 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.330 -5.612 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.379 -5.269 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.309 -6.853 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.156 -6.512 -3.208 1.00 0.00 H new ATOM 1348 N LEU A 92 4.873 -9.046 -3.688 1.00 0.00 N ATOM 1349 CA LEU A 92 6.294 -9.386 -3.588 1.00 0.00 C ATOM 1350 C LEU A 92 6.904 -9.647 -4.966 1.00 0.00 C ATOM 1351 O LEU A 92 8.049 -9.272 -5.229 1.00 0.00 O ATOM 1352 CB LEU A 92 6.484 -10.615 -2.692 1.00 0.00 C ATOM 1353 CG LEU A 92 7.934 -11.054 -2.473 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.729 -9.957 -1.779 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.983 -12.341 -1.663 1.00 0.00 C ATOM 0 H LEU A 92 4.256 -9.678 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 92 6.809 -8.534 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.035 -10.408 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.932 -11.448 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 92 8.387 -11.240 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.757 -10.289 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.723 -9.058 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.278 -9.737 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.021 -12.639 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.512 -12.179 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.451 -13.128 -2.198 1.00 0.00 H new ATOM 1367 N GLN A 93 6.130 -10.290 -5.839 1.00 0.00 N ATOM 1368 CA GLN A 93 6.592 -10.615 -7.188 1.00 0.00 C ATOM 1369 C GLN A 93 6.942 -9.357 -7.989 1.00 0.00 C ATOM 1370 O GLN A 93 7.953 -9.330 -8.691 1.00 0.00 O ATOM 1371 CB GLN A 93 5.512 -11.415 -7.919 1.00 0.00 C ATOM 1372 CG GLN A 93 5.314 -12.816 -7.362 1.00 0.00 C ATOM 1373 CD GLN A 93 4.142 -13.534 -7.999 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.250 -14.069 -9.101 1.00 0.00 O ATOM 1375 NE2 GLN A 93 3.010 -13.547 -7.307 1.00 0.00 N ATOM 0 H GLN A 93 5.179 -10.597 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 93 7.500 -11.211 -7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.568 -10.873 -7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.775 -11.486 -8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.222 -13.398 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.157 -12.756 -6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.964 -13.091 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.186 -14.013 -7.686 1.00 0.00 H new ATOM 1384 N VAL A 94 6.119 -8.314 -7.881 1.00 0.00 N ATOM 1385 CA VAL A 94 6.386 -7.070 -8.604 1.00 0.00 C ATOM 1386 C VAL A 94 7.381 -6.191 -7.841 1.00 0.00 C ATOM 1387 O VAL A 94 8.064 -5.359 -8.438 1.00 0.00 O ATOM 1388 CB VAL A 94 5.096 -6.274 -8.910 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.214 -7.043 -9.883 1.00 0.00 C ATOM 1390 CG2 VAL A 94 4.327 -5.949 -7.641 1.00 0.00 C ATOM 0 H VAL A 94 5.274 -8.304 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 94 6.827 -7.357 -9.559 1.00 0.00 H new ATOM 0 HB VAL A 94 5.390 -5.331 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.311 -6.468 -10.087 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.757 -7.208 -10.814 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.942 -8.004 -9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.427 -5.389 -7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.049 -6.875 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.953 -5.350 -6.980 1.00 0.00 H new ATOM 1400 N LEU A 95 7.462 -6.387 -6.521 1.00 0.00 N ATOM 1401 CA LEU A 95 8.394 -5.629 -5.684 1.00 0.00 C ATOM 1402 C LEU A 95 9.831 -5.920 -6.095 1.00 0.00 C ATOM 1403 O LEU A 95 10.645 -5.007 -6.248 1.00 0.00 O ATOM 1404 CB LEU A 95 8.203 -5.987 -4.202 1.00 0.00 C ATOM 1405 CG LEU A 95 7.410 -4.978 -3.358 1.00 0.00 C ATOM 1406 CD1 LEU A 95 6.140 -4.540 -4.069 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.074 -5.579 -2.003 1.00 0.00 C ATOM 0 H LEU A 95 6.894 -7.063 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 95 8.188 -4.568 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.700 -6.952 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.187 -6.113 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 95 8.034 -4.096 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.602 -3.826 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.398 -4.070 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.508 -5.409 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.512 -4.855 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.474 -6.478 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.995 -5.836 -1.480 1.00 0.00 H new ATOM 1419 N GLN A 96 10.131 -7.207 -6.268 1.00 0.00 N ATOM 1420 CA GLN A 96 11.462 -7.640 -6.682 1.00 0.00 C ATOM 1421 C GLN A 96 11.769 -7.156 -8.095 1.00 0.00 C ATOM 1422 O GLN A 96 12.894 -6.758 -8.393 1.00 0.00 O ATOM 1423 CB GLN A 96 11.576 -9.166 -6.615 1.00 0.00 C ATOM 1424 CG GLN A 96 11.573 -9.717 -5.197 1.00 0.00 C ATOM 1425 CD GLN A 96 11.704 -11.229 -5.162 1.00 0.00 C ATOM 1426 OE1 GLN A 96 12.480 -11.813 -5.915 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.947 -11.868 -4.281 1.00 0.00 N ATOM 0 H GLN A 96 9.467 -7.968 -6.127 1.00 0.00 H new ATOM 0 HA GLN A 96 12.189 -7.203 -5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.748 -9.608 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.495 -9.475 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 96 12.394 -9.271 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.649 -9.424 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.316 -11.343 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.995 -12.884 -4.209 1.00 0.00 H new ATOM 1436 N GLU A 97 10.758 -7.208 -8.961 1.00 0.00 N ATOM 1437 CA GLU A 97 10.900 -6.773 -10.349 1.00 0.00 C ATOM 1438 C GLU A 97 11.220 -5.279 -10.416 1.00 0.00 C ATOM 1439 O GLU A 97 12.073 -4.850 -11.195 1.00 0.00 O ATOM 1440 CB GLU A 97 9.615 -7.079 -11.128 1.00 0.00 C ATOM 1441 CG GLU A 97 9.705 -6.784 -12.619 1.00 0.00 C ATOM 1442 CD GLU A 97 8.457 -7.201 -13.372 1.00 0.00 C ATOM 1443 OE1 GLU A 97 7.515 -7.714 -12.730 1.00 0.00 O ATOM 1444 OE2 GLU A 97 8.420 -7.016 -14.607 1.00 0.00 O ATOM 0 H GLU A 97 9.827 -7.549 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 97 11.727 -7.320 -10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.362 -8.130 -10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.798 -6.497 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.874 -5.717 -12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.568 -7.303 -13.037 1.00 0.00 H new ATOM 1451 N MET A 98 10.516 -4.492 -9.604 1.00 0.00 N ATOM 1452 CA MET A 98 10.726 -3.049 -9.548 1.00 0.00 C ATOM 1453 C MET A 98 12.086 -2.714 -8.934 1.00 0.00 C ATOM 1454 O MET A 98 12.767 -1.789 -9.380 1.00 0.00 O ATOM 1455 CB MET A 98 9.606 -2.375 -8.750 1.00 0.00 C ATOM 1456 CG MET A 98 9.581 -0.860 -8.891 1.00 0.00 C ATOM 1457 SD MET A 98 9.214 -0.330 -10.575 1.00 0.00 S ATOM 1458 CE MET A 98 10.721 0.545 -10.992 1.00 0.00 C ATOM 0 H MET A 98 9.791 -4.834 -8.973 1.00 0.00 H new ATOM 0 HA MET A 98 10.710 -2.668 -10.569 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.647 -2.777 -9.076 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.718 -2.631 -7.696 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.834 -0.447 -8.213 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.546 -0.454 -8.588 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.640 0.949 -12.001 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.875 1.361 -10.286 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.566 -0.142 -10.943 1.00 0.00 H new ATOM 1468 N GLY A 99 12.477 -3.473 -7.912 1.00 0.00 N ATOM 1469 CA GLY A 99 13.754 -3.233 -7.261 1.00 0.00 C ATOM 1470 C GLY A 99 13.636 -2.368 -6.019 1.00 0.00 C ATOM 1471 O GLY A 99 14.607 -1.735 -5.607 1.00 0.00 O ATOM 0 H GLY A 99 11.935 -4.246 -7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.202 -4.189 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.431 -2.753 -7.968 1.00 0.00 H new ATOM 1475 N HIS A 100 12.447 -2.335 -5.422 1.00 0.00 N ATOM 1476 CA HIS A 100 12.223 -1.533 -4.220 1.00 0.00 C ATOM 1477 C HIS A 100 12.789 -2.231 -2.982 1.00 0.00 C ATOM 1478 O HIS A 100 12.161 -3.125 -2.413 1.00 0.00 O ATOM 1479 CB HIS A 100 10.730 -1.254 -4.034 1.00 0.00 C ATOM 1480 CG HIS A 100 10.450 -0.088 -3.136 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.286 0.327 -2.579 1.00 0.00 N flip ATOM 1482 CD2 HIS A 100 11.413 0.801 -2.710 1.00 0.00 C flip ATOM 1483 CE1 HIS A 100 9.524 1.464 -1.816 1.00 0.00 C flip ATOM 1484 NE2 HIS A 100 10.815 1.707 -1.927 1.00 0.00 N flip ATOM 0 H HIS A 100 11.629 -2.850 -5.747 1.00 0.00 H new ATOM 0 HA HIS A 100 12.745 -0.584 -4.346 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.278 -1.069 -5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.250 -2.143 -3.624 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.463 0.772 -2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.801 2.031 -1.249 1.00 0.00 H new ATOM 0 HE2 HIS A 100 11.296 2.485 -1.475 1.00 0.00 H new ATOM 1491 N ARG A 101 13.984 -1.803 -2.582 1.00 0.00 N ATOM 1492 CA ARG A 101 14.679 -2.367 -1.424 1.00 0.00 C ATOM 1493 C ARG A 101 13.940 -2.115 -0.108 1.00 0.00 C ATOM 1494 O ARG A 101 13.864 -3.001 0.742 1.00 0.00 O ATOM 1495 CB ARG A 101 16.079 -1.769 -1.331 1.00 0.00 C ATOM 1496 CG ARG A 101 17.009 -2.213 -2.450 1.00 0.00 C ATOM 1497 CD ARG A 101 18.314 -1.434 -2.434 1.00 0.00 C ATOM 1498 NE ARG A 101 18.117 -0.027 -2.773 1.00 0.00 N ATOM 1499 CZ ARG A 101 19.092 0.877 -2.771 1.00 0.00 C ATOM 1500 NH1 ARG A 101 18.830 2.137 -3.096 1.00 0.00 N ATOM 1501 NH2 ARG A 101 20.328 0.521 -2.447 1.00 0.00 N ATOM 0 H ARG A 101 14.498 -1.057 -3.050 1.00 0.00 H new ATOM 0 HA ARG A 101 14.725 -3.446 -1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.002 -0.682 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.520 -2.045 -0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.219 -3.278 -2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.514 -2.076 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.768 -1.508 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.012 -1.883 -3.141 1.00 0.00 H new ATOM 0 HE ARG A 101 17.178 0.280 -3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 101 17.880 2.412 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.578 2.830 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.531 -0.447 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.075 1.215 -2.446 1.00 0.00 H new ATOM 1515 N ARG A 102 13.393 -0.909 0.050 1.00 0.00 N ATOM 1516 CA ARG A 102 12.679 -0.545 1.276 1.00 0.00 C ATOM 1517 C ARG A 102 11.474 -1.454 1.489 1.00 0.00 C ATOM 1518 O ARG A 102 11.195 -1.883 2.613 1.00 0.00 O ATOM 1519 CB ARG A 102 12.227 0.917 1.232 1.00 0.00 C ATOM 1520 CG ARG A 102 11.533 1.379 2.506 1.00 0.00 C ATOM 1521 CD ARG A 102 12.502 1.452 3.678 1.00 0.00 C ATOM 1522 NE ARG A 102 13.597 2.392 3.434 1.00 0.00 N ATOM 1523 CZ ARG A 102 13.509 3.705 3.643 1.00 0.00 C ATOM 1524 NH1 ARG A 102 14.551 4.487 3.389 1.00 0.00 N ATOM 1525 NH2 ARG A 102 12.385 4.234 4.111 1.00 0.00 N ATOM 0 H ARG A 102 13.430 -0.170 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 102 13.367 -0.672 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.094 1.551 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.550 1.054 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.085 2.359 2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.720 0.694 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.961 1.752 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.913 0.461 3.870 1.00 0.00 H new ATOM 0 HE ARG A 102 14.480 2.020 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.418 4.083 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.485 5.492 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.584 3.635 4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.322 5.240 4.270 1.00 0.00 H new ATOM 1539 N ALA A 103 10.764 -1.738 0.402 1.00 0.00 N ATOM 1540 CA ALA A 103 9.592 -2.604 0.462 1.00 0.00 C ATOM 1541 C ALA A 103 9.986 -3.994 0.945 1.00 0.00 C ATOM 1542 O ALA A 103 9.263 -4.622 1.713 1.00 0.00 O ATOM 1543 CB ALA A 103 8.925 -2.688 -0.901 1.00 0.00 C ATOM 0 H ALA A 103 10.979 -1.382 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 103 8.881 -2.178 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.052 -3.338 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.614 -1.692 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.630 -3.095 -1.626 1.00 0.00 H new ATOM 1549 N ILE A 104 11.140 -4.466 0.476 1.00 0.00 N ATOM 1550 CA ILE A 104 11.659 -5.774 0.861 1.00 0.00 C ATOM 1551 C ILE A 104 11.972 -5.814 2.361 1.00 0.00 C ATOM 1552 O ILE A 104 11.659 -6.788 3.044 1.00 0.00 O ATOM 1553 CB ILE A 104 12.931 -6.132 0.053 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.602 -6.239 -1.444 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.550 -7.433 0.553 1.00 0.00 C ATOM 1556 CD1 ILE A 104 11.568 -7.297 -1.771 1.00 0.00 C ATOM 0 H ILE A 104 11.736 -3.956 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 104 10.887 -6.511 0.639 1.00 0.00 H new ATOM 0 HB ILE A 104 13.658 -5.333 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.243 -5.272 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.518 -6.458 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.441 -7.660 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.822 -7.326 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.829 -8.244 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 104 11.390 -7.311 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 104 11.932 -8.273 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 104 10.637 -7.069 -1.252 1.00 0.00 H new ATOM 1568 N HIS A 105 12.597 -4.755 2.867 1.00 0.00 N ATOM 1569 CA HIS A 105 12.939 -4.678 4.288 1.00 0.00 C ATOM 1570 C HIS A 105 11.689 -4.644 5.168 1.00 0.00 C ATOM 1571 O HIS A 105 11.644 -5.290 6.212 1.00 0.00 O ATOM 1572 CB HIS A 105 13.806 -3.446 4.570 1.00 0.00 C ATOM 1573 CG HIS A 105 15.222 -3.580 4.096 1.00 0.00 C ATOM 1574 ND1 HIS A 105 16.143 -4.432 4.663 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.872 -2.942 3.091 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.299 -4.288 4.000 1.00 0.00 C ATOM 1577 NE2 HIS A 105 17.186 -3.396 3.035 1.00 0.00 N ATOM 0 H HIS A 105 12.877 -3.941 2.320 1.00 0.00 H new ATOM 0 HA HIS A 105 13.504 -5.577 4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.353 -2.578 4.091 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.809 -3.253 5.643 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.438 -2.199 2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.205 -4.831 4.226 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.912 -3.100 2.382 1.00 0.00 H new ATOM 1584 N LEU A 106 10.671 -3.899 4.741 1.00 0.00 N ATOM 1585 CA LEU A 106 9.429 -3.790 5.511 1.00 0.00 C ATOM 1586 C LEU A 106 8.510 -5.000 5.311 1.00 0.00 C ATOM 1587 O LEU A 106 7.665 -5.283 6.163 1.00 0.00 O ATOM 1588 CB LEU A 106 8.686 -2.499 5.149 1.00 0.00 C ATOM 1589 CG LEU A 106 8.488 -1.504 6.302 1.00 0.00 C ATOM 1590 CD1 LEU A 106 8.210 -2.231 7.611 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.703 -0.598 6.439 1.00 0.00 C ATOM 0 H LEU A 106 10.679 -3.364 3.872 1.00 0.00 H new ATOM 0 HA LEU A 106 9.709 -3.764 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.232 -1.998 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.707 -2.764 4.749 1.00 0.00 H new ATOM 0 HG LEU A 106 7.620 -0.887 6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.074 -1.502 8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.306 -2.831 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.051 -2.881 7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.545 0.101 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.587 -1.203 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.848 -0.042 5.513 1.00 0.00 H new ATOM 1603 N ILE A 107 8.676 -5.712 4.198 1.00 0.00 N ATOM 1604 CA ILE A 107 7.848 -6.886 3.901 1.00 0.00 C ATOM 1605 C ILE A 107 8.076 -8.008 4.922 1.00 0.00 C ATOM 1606 O ILE A 107 7.231 -8.887 5.093 1.00 0.00 O ATOM 1607 CB ILE A 107 8.093 -7.412 2.457 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.820 -8.032 1.892 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.232 -8.422 2.409 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.839 -7.012 1.355 1.00 0.00 C ATOM 0 H ILE A 107 9.375 -5.499 3.486 1.00 0.00 H new ATOM 0 HA ILE A 107 6.809 -6.565 3.972 1.00 0.00 H new ATOM 0 HB ILE A 107 8.379 -6.558 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.086 -8.724 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.333 -8.617 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.371 -8.765 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.150 -7.952 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.991 -9.273 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.957 -7.523 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.544 -6.334 2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.309 -6.443 0.553 1.00 0.00 H new ATOM 1622 N THR A 108 9.218 -7.959 5.608 1.00 0.00 N ATOM 1623 CA THR A 108 9.566 -8.965 6.608 1.00 0.00 C ATOM 1624 C THR A 108 8.751 -8.790 7.893 1.00 0.00 C ATOM 1625 O THR A 108 8.768 -9.655 8.768 1.00 0.00 O ATOM 1626 CB THR A 108 11.067 -8.918 6.960 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.400 -7.654 7.550 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.924 -9.142 5.721 1.00 0.00 C ATOM 0 H THR A 108 9.920 -7.229 5.487 1.00 0.00 H new ATOM 0 HA THR A 108 9.331 -9.932 6.164 1.00 0.00 H new ATOM 0 HB THR A 108 11.269 -9.716 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.425 -6.965 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.978 -9.104 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.696 -10.118 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.712 -8.365 4.987 1.00 0.00 H new ATOM 1636 N ASN A 109 8.034 -7.673 7.998 1.00 0.00 N ATOM 1637 CA ASN A 109 7.222 -7.390 9.183 1.00 0.00 C ATOM 1638 C ASN A 109 5.808 -7.962 9.035 1.00 0.00 C ATOM 1639 O ASN A 109 4.886 -7.580 9.758 1.00 0.00 O ATOM 1640 CB ASN A 109 7.162 -5.879 9.433 1.00 0.00 C ATOM 1641 CG ASN A 109 6.890 -5.539 10.886 1.00 0.00 C ATOM 1642 OD1 ASN A 109 7.315 -6.255 11.791 1.00 0.00 O ATOM 1643 ND2 ASN A 109 6.186 -4.438 11.117 1.00 0.00 N ATOM 0 H ASN A 109 7.998 -6.950 7.280 1.00 0.00 H new ATOM 0 HA ASN A 109 7.692 -7.874 10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 109 8.105 -5.426 9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.382 -5.442 8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.978 -4.157 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.853 -3.873 10.336 1.00 0.00 H new ATOM 1650 N TYR A 110 5.642 -8.871 8.079 1.00 0.00 N ATOM 1651 CA TYR A 110 4.351 -9.508 7.834 1.00 0.00 C ATOM 1652 C TYR A 110 4.179 -10.763 8.691 1.00 0.00 C ATOM 1653 O TYR A 110 5.030 -11.652 8.694 1.00 0.00 O ATOM 1654 CB TYR A 110 4.205 -9.857 6.345 1.00 0.00 C ATOM 1655 CG TYR A 110 3.092 -10.838 6.046 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.752 -10.457 6.084 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.386 -12.159 5.733 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.748 -11.368 5.820 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.387 -13.072 5.466 1.00 0.00 C ATOM 1660 CZ TYR A 110 1.072 -12.671 5.512 1.00 0.00 C ATOM 1661 OH TYR A 110 0.076 -13.580 5.256 1.00 0.00 O ATOM 0 H TYR A 110 6.388 -9.184 7.459 1.00 0.00 H new ATOM 0 HA TYR A 110 3.569 -8.801 8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 110 4.027 -8.940 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.147 -10.272 5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.495 -9.436 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.417 -12.478 5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.287 -11.060 5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.636 -14.094 5.223 1.00 0.00 H new ATOM 0 HH TYR A 110 0.005 -14.207 6.006 1.00 0.00 H new ATOM 1671 N GLY A 111 3.067 -10.820 9.421 1.00 0.00 N ATOM 1672 CA GLY A 111 2.780 -11.966 10.264 1.00 0.00 C ATOM 1673 C GLY A 111 1.292 -12.236 10.363 1.00 0.00 C ATOM 1674 O GLY A 111 0.661 -11.893 11.363 1.00 0.00 O ATOM 0 H GLY A 111 2.357 -10.088 9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.283 -12.846 9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.185 -11.794 11.261 1.00 0.00 H new ATOM 1678 N ALA A 112 0.728 -12.846 9.325 1.00 0.00 N ATOM 1679 CA ALA A 112 -0.701 -13.148 9.294 1.00 0.00 C ATOM 1680 C ALA A 112 -0.985 -14.403 8.476 1.00 0.00 C ATOM 1681 O ALA A 112 -0.117 -14.896 7.753 1.00 0.00 O ATOM 1682 CB ALA A 112 -1.480 -11.965 8.736 1.00 0.00 C ATOM 0 H ALA A 112 1.239 -13.142 8.493 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.026 -13.335 10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.543 -12.205 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.315 -11.091 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.140 -11.751 7.723 1.00 0.00 H new ATOM 1688 N VAL A 113 -2.213 -14.907 8.582 1.00 0.00 N ATOM 1689 CA VAL A 113 -2.626 -16.115 7.867 1.00 0.00 C ATOM 1690 C VAL A 113 -3.190 -15.803 6.477 1.00 0.00 C ATOM 1691 O VAL A 113 -4.130 -16.461 6.021 1.00 0.00 O ATOM 1692 CB VAL A 113 -3.675 -16.909 8.677 1.00 0.00 C ATOM 1693 CG1 VAL A 113 -3.013 -17.643 9.834 1.00 0.00 C ATOM 1694 CG2 VAL A 113 -4.779 -15.989 9.189 1.00 0.00 C ATOM 0 H VAL A 113 -2.945 -14.494 9.160 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.728 -16.720 7.743 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.128 -17.646 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.767 -18.197 10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.267 -18.337 9.446 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.529 -16.922 10.493 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.505 -16.572 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.346 -15.224 9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.277 -15.513 8.344 1.00 0.00 H new ATOM 1704 N LEU A 114 -2.608 -14.794 5.822 1.00 0.00 N ATOM 1705 CA LEU A 114 -3.014 -14.365 4.476 1.00 0.00 C ATOM 1706 C LEU A 114 -4.377 -13.672 4.488 1.00 0.00 C ATOM 1707 O LEU A 114 -4.904 -13.326 5.546 1.00 0.00 O ATOM 1708 CB LEU A 114 -3.032 -15.550 3.497 1.00 0.00 C ATOM 1709 CG LEU A 114 -1.984 -15.492 2.381 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -0.607 -15.846 2.918 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -2.370 -16.425 1.242 1.00 0.00 C ATOM 0 H LEU A 114 -1.839 -14.248 6.210 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.271 -13.643 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.886 -16.470 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.021 -15.609 3.042 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.948 -14.473 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.122 -15.799 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.328 -15.139 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.626 -16.855 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.616 -16.372 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.435 -17.447 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.336 -16.125 0.837 1.00 0.00 H new ATOM 1723 N SER A 115 -4.936 -13.466 3.299 1.00 0.00 N ATOM 1724 CA SER A 115 -6.227 -12.805 3.157 1.00 0.00 C ATOM 1725 C SER A 115 -7.158 -13.633 2.273 1.00 0.00 C ATOM 1726 O SER A 115 -6.698 -14.354 1.387 1.00 0.00 O ATOM 1727 CB SER A 115 -6.041 -11.412 2.549 1.00 0.00 C ATOM 1728 OG SER A 115 -5.238 -10.593 3.380 1.00 0.00 O ATOM 0 H SER A 115 -4.511 -13.750 2.416 1.00 0.00 H new ATOM 0 HA SER A 115 -6.675 -12.708 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.579 -11.500 1.566 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.014 -10.943 2.403 1.00 0.00 H new ATOM 0 HG SER A 115 -5.640 -10.538 4.272 1.00 0.00 H new ATOM 1734 N PRO A 116 -8.483 -13.540 2.506 1.00 0.00 N ATOM 1735 CA PRO A 116 -9.477 -14.272 1.710 1.00 0.00 C ATOM 1736 C PRO A 116 -9.607 -13.720 0.291 1.00 0.00 C ATOM 1737 O PRO A 116 -9.322 -12.547 0.040 1.00 0.00 O ATOM 1738 CB PRO A 116 -10.776 -14.066 2.494 1.00 0.00 C ATOM 1739 CG PRO A 116 -10.575 -12.779 3.215 1.00 0.00 C ATOM 1740 CD PRO A 116 -9.114 -12.734 3.570 1.00 0.00 C ATOM 0 HA PRO A 116 -9.206 -15.320 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -11.638 -14.018 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.955 -14.887 3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -10.852 -11.932 2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -11.197 -12.730 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.734 -11.713 3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.927 -13.154 4.558 1.00 0.00 H new ATOM 1748 N SER A 117 -10.043 -14.566 -0.636 1.00 0.00 N ATOM 1749 CA SER A 117 -10.201 -14.155 -2.024 1.00 0.00 C ATOM 1750 C SER A 117 -11.676 -13.974 -2.372 1.00 0.00 C ATOM 1751 O SER A 117 -12.528 -14.737 -1.919 1.00 0.00 O ATOM 1752 CB SER A 117 -9.567 -15.189 -2.957 1.00 0.00 C ATOM 1753 OG SER A 117 -8.178 -15.313 -2.712 1.00 0.00 O ATOM 0 H SER A 117 -10.292 -15.538 -0.451 1.00 0.00 H new ATOM 0 HA SER A 117 -9.695 -13.198 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 117 -10.052 -16.155 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.732 -14.897 -3.994 1.00 0.00 H new ATOM 0 HG SER A 117 -7.797 -15.981 -3.320 1.00 0.00 H new ATOM 1759 N GLU A 118 -11.969 -12.957 -3.175 1.00 0.00 N ATOM 1760 CA GLU A 118 -13.340 -12.670 -3.580 1.00 0.00 C ATOM 1761 C GLU A 118 -13.449 -12.604 -5.101 1.00 0.00 C ATOM 1762 O GLU A 118 -12.521 -12.162 -5.778 1.00 0.00 O ATOM 1763 CB GLU A 118 -13.811 -11.351 -2.962 1.00 0.00 C ATOM 1764 CG GLU A 118 -14.007 -11.418 -1.453 1.00 0.00 C ATOM 1765 CD GLU A 118 -14.255 -10.058 -0.829 1.00 0.00 C ATOM 1766 OE1 GLU A 118 -13.956 -9.038 -1.486 1.00 0.00 O ATOM 1767 OE2 GLU A 118 -14.747 -10.014 0.317 1.00 0.00 O ATOM 0 H GLU A 118 -11.274 -12.317 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.979 -13.477 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -13.083 -10.572 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -14.751 -11.056 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.849 -12.073 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.124 -11.866 -0.997 1.00 0.00 H new ATOM 1774 N LYS A 119 -14.585 -13.044 -5.631 1.00 0.00 N ATOM 1775 CA LYS A 119 -14.815 -13.037 -7.072 1.00 0.00 C ATOM 1776 C LYS A 119 -16.120 -12.322 -7.403 1.00 0.00 C ATOM 1777 O LYS A 119 -17.063 -12.338 -6.611 1.00 0.00 O ATOM 1778 CB LYS A 119 -14.853 -14.466 -7.623 1.00 0.00 C ATOM 1779 CG LYS A 119 -13.531 -15.208 -7.505 1.00 0.00 C ATOM 1780 CD LYS A 119 -13.629 -16.615 -8.073 1.00 0.00 C ATOM 1781 CE LYS A 119 -12.296 -17.343 -7.992 1.00 0.00 C ATOM 1782 NZ LYS A 119 -11.848 -17.528 -6.585 1.00 0.00 N ATOM 0 H LYS A 119 -15.363 -13.411 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 119 -13.989 -12.502 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -15.622 -15.028 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.147 -14.433 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -12.754 -14.655 -8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.232 -15.257 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.386 -17.177 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.956 -16.567 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.384 -18.316 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -11.541 -16.781 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.030 -18.170 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.577 -16.608 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.623 -17.935 -6.024 1.00 0.00 H new ATOM 1796 N SER A 120 -16.172 -11.698 -8.576 1.00 0.00 N ATOM 1797 CA SER A 120 -17.362 -10.979 -9.011 1.00 0.00 C ATOM 1798 C SER A 120 -17.476 -11.000 -10.531 1.00 0.00 C ATOM 1799 O SER A 120 -16.492 -11.241 -11.229 1.00 0.00 O ATOM 1800 CB SER A 120 -17.320 -9.534 -8.505 1.00 0.00 C ATOM 1801 OG SER A 120 -16.235 -8.822 -9.079 1.00 0.00 O ATOM 0 H SER A 120 -15.401 -11.677 -9.243 1.00 0.00 H new ATOM 0 HA SER A 120 -18.237 -11.475 -8.592 1.00 0.00 H new ATOM 0 HB2 SER A 120 -18.257 -9.033 -8.748 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.228 -9.528 -7.419 1.00 0.00 H new ATOM 0 HG SER A 120 -16.232 -7.902 -8.741 1.00 0.00 H new ATOM 1807 N TYR A 121 -18.678 -10.742 -11.037 1.00 0.00 N ATOM 1808 CA TYR A 121 -18.921 -10.733 -12.476 1.00 0.00 C ATOM 1809 C TYR A 121 -20.025 -9.739 -12.825 1.00 0.00 C ATOM 1810 O TYR A 121 -20.799 -9.333 -11.957 1.00 0.00 O ATOM 1811 CB TYR A 121 -19.284 -12.141 -12.973 1.00 0.00 C ATOM 1812 CG TYR A 121 -20.577 -12.697 -12.407 1.00 0.00 C ATOM 1813 CD1 TYR A 121 -21.788 -12.511 -13.069 1.00 0.00 C ATOM 1814 CD2 TYR A 121 -20.587 -13.409 -11.213 1.00 0.00 C ATOM 1815 CE1 TYR A 121 -22.965 -13.018 -12.555 1.00 0.00 C ATOM 1816 CE2 TYR A 121 -21.764 -13.918 -10.694 1.00 0.00 C ATOM 1817 CZ TYR A 121 -22.949 -13.720 -11.370 1.00 0.00 C ATOM 1818 OH TYR A 121 -24.120 -14.226 -10.857 1.00 0.00 O ATOM 0 H TYR A 121 -19.501 -10.536 -10.471 1.00 0.00 H new ATOM 0 HA TYR A 121 -18.005 -10.420 -12.977 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -19.358 -12.120 -14.060 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -18.471 -12.822 -12.722 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -21.807 -11.962 -13.999 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -19.660 -13.567 -10.682 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -23.896 -12.865 -13.081 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -21.755 -14.467 -9.764 1.00 0.00 H new ATOM 0 HH TYR A 121 -23.933 -14.695 -10.017 1.00 0.00 H new ATOM 1828 N GLN A 122 -20.089 -9.351 -14.092 1.00 0.00 N ATOM 1829 CA GLN A 122 -21.098 -8.404 -14.556 1.00 0.00 C ATOM 1830 C GLN A 122 -21.451 -8.666 -16.017 1.00 0.00 C ATOM 1831 O GLN A 122 -20.686 -9.303 -16.739 1.00 0.00 O ATOM 1832 CB GLN A 122 -20.602 -6.962 -14.386 1.00 0.00 C ATOM 1833 CG GLN A 122 -19.328 -6.654 -15.162 1.00 0.00 C ATOM 1834 CD GLN A 122 -18.883 -5.215 -14.999 1.00 0.00 C ATOM 1835 OE1 GLN A 122 -19.610 -4.288 -15.349 1.00 0.00 O ATOM 1836 NE2 GLN A 122 -17.685 -5.020 -14.467 1.00 0.00 N ATOM 0 H GLN A 122 -19.453 -9.678 -14.819 1.00 0.00 H new ATOM 0 HA GLN A 122 -21.994 -8.540 -13.951 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -21.387 -6.278 -14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -20.427 -6.771 -13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -18.532 -7.318 -14.825 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -19.491 -6.863 -16.219 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -17.114 -5.818 -14.190 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -17.334 -4.071 -14.334 1.00 0.00 H new ATOM 1845 N GLU A 123 -22.618 -8.182 -16.436 1.00 0.00 N ATOM 1846 CA GLU A 123 -23.078 -8.354 -17.814 1.00 0.00 C ATOM 1847 C GLU A 123 -22.165 -7.621 -18.796 1.00 0.00 C ATOM 1848 O GLU A 123 -21.878 -8.119 -19.884 1.00 0.00 O ATOM 1849 CB GLU A 123 -24.517 -7.851 -17.963 1.00 0.00 C ATOM 1850 CG GLU A 123 -25.547 -8.729 -17.268 1.00 0.00 C ATOM 1851 CD GLU A 123 -26.932 -8.114 -17.258 1.00 0.00 C ATOM 1852 OE1 GLU A 123 -27.046 -6.901 -17.534 1.00 0.00 O ATOM 1853 OE2 GLU A 123 -27.903 -8.846 -16.976 1.00 0.00 O ATOM 0 H GLU A 123 -23.265 -7.666 -15.840 1.00 0.00 H new ATOM 0 HA GLU A 123 -23.046 -9.418 -18.046 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -24.583 -6.840 -17.560 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -24.762 -7.788 -19.023 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -25.588 -9.697 -17.767 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -25.228 -8.912 -16.242 1.00 0.00 H new ATOM 1860 N GLY A 124 -21.717 -6.432 -18.410 1.00 0.00 N ATOM 1861 CA GLY A 124 -20.845 -5.653 -19.268 1.00 0.00 C ATOM 1862 C GLY A 124 -21.583 -4.547 -19.994 1.00 0.00 C ATOM 1863 O GLY A 124 -21.087 -4.093 -21.046 1.00 0.00 O ATOM 1864 OXT GLY A 124 -22.656 -4.133 -19.508 1.00 0.00 O ATOM 0 H GLY A 124 -21.943 -5.993 -17.517 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -20.044 -5.219 -18.669 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -20.375 -6.312 -19.998 1.00 0.00 H new TER 1868 GLY A 124