USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 786 hydrogens (18 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 36 SER OG : rot 72:sc= 0.105 USER MOD Set 1.2: A 39 GLN : amide:sc= -0.776 K(o=-0.67,f=-2.7!) USER MOD Single : A 1 SER N :NH3+ -179:sc= 0 (180deg=-0.000969) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-2.4!) USER MOD Single : A 7 SER OG : rot 11:sc= 0.806! USER MOD Single : A 8 HIS : no HD1:sc= -10.4! C(o=-10!,f=-9.2!) USER MOD Single : A 14 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.06) USER MOD Single : A 15 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.8!) USER MOD Single : A 20 ASN : amide:sc=-0.00787 X(o=-0.0079,f=-0.0079) USER MOD Single : A 21 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.8!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 41:sc= -0.615 USER MOD Single : A 41 THR OG1 : rot -35:sc= 0.279 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 46 SER OG : rot -64:sc= 0.211 USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.026 (180deg=-0.268) USER MOD Single : A 50 TYR OH : rot 141:sc= 1.14 USER MOD Single : A 56 GLN : amide:sc= -5.91! C(o=-5.9!,f=-7.3!) USER MOD Single : A 64 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.013) USER MOD Single : A 66 MET CE :methyl -116:sc=-0.000452 (180deg=-0.901) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot -54:sc= 0.0636 USER MOD Single : A 75 SER OG : rot 180:sc= -0.25 USER MOD Single : A 76 GLN : amide:sc= -0.0642 K(o=-0.064,f=-2.2!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0729 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 160:sc= -4.85! (180deg=-5.33!) USER MOD Single : A 87 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.013) USER MOD Single : A 89 MET CE :methyl 136:sc= -1.89 (180deg=-5.09!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=-0.12) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 119:sc= 0.712 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 108 WSK O0 : rot -160:sc= -0.936 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.180 24.990 -7.640 1.00 0.00 N ATOM 2 CA SER A 1 5.726 24.354 -6.415 1.00 0.00 C ATOM 3 C SER A 1 6.279 22.964 -6.713 1.00 0.00 C ATOM 4 O SER A 1 7.377 22.615 -6.280 1.00 0.00 O ATOM 5 CB SER A 1 4.609 24.263 -5.373 1.00 0.00 C ATOM 6 OG SER A 1 4.528 25.451 -4.605 1.00 0.00 O ATOM 0 H1 SER A 1 4.827 25.941 -7.410 1.00 0.00 H new ATOM 0 H2 SER A 1 5.930 25.064 -8.357 1.00 0.00 H new ATOM 0 H3 SER A 1 4.400 24.412 -8.013 1.00 0.00 H new ATOM 0 HA SER A 1 6.548 24.960 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.657 24.083 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.790 23.413 -4.715 1.00 0.00 H new ATOM 0 HG SER A 1 3.806 25.367 -3.948 1.00 0.00 H new ATOM 14 N GLY A 2 5.510 22.177 -7.458 1.00 0.00 N ATOM 15 CA GLY A 2 5.938 20.834 -7.803 1.00 0.00 C ATOM 16 C GLY A 2 4.864 19.797 -7.537 1.00 0.00 C ATOM 17 O GLY A 2 3.960 19.607 -8.350 1.00 0.00 O ATOM 0 H GLY A 2 4.598 22.445 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.215 20.804 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.831 20.582 -7.231 1.00 0.00 H new ATOM 21 N PHE A 3 4.963 19.126 -6.394 1.00 0.00 N ATOM 22 CA PHE A 3 3.991 18.104 -6.022 1.00 0.00 C ATOM 23 C PHE A 3 3.503 18.313 -4.592 1.00 0.00 C ATOM 24 O PHE A 3 4.301 18.382 -3.657 1.00 0.00 O ATOM 25 CB PHE A 3 4.609 16.711 -6.158 1.00 0.00 C ATOM 26 CG PHE A 3 5.262 16.468 -7.488 1.00 0.00 C ATOM 27 CD1 PHE A 3 6.537 16.945 -7.746 1.00 0.00 C ATOM 28 CD2 PHE A 3 4.603 15.758 -8.478 1.00 0.00 C ATOM 29 CE1 PHE A 3 7.142 16.721 -8.968 1.00 0.00 C ATOM 30 CE2 PHE A 3 5.202 15.530 -9.703 1.00 0.00 C ATOM 31 CZ PHE A 3 6.473 16.012 -9.948 1.00 0.00 C ATOM 0 H PHE A 3 5.706 19.271 -5.710 1.00 0.00 H new ATOM 0 HA PHE A 3 3.139 18.187 -6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.349 16.573 -5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.833 15.962 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 3 7.064 17.498 -6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.610 15.378 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.136 17.099 -9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.677 14.976 -10.467 1.00 0.00 H new ATOM 0 HZ PHE A 3 6.943 15.835 -10.904 1.00 0.00 H new ATOM 41 N LYS A 4 2.187 18.410 -4.427 1.00 0.00 N ATOM 42 CA LYS A 4 1.597 18.606 -3.108 1.00 0.00 C ATOM 43 C LYS A 4 0.521 17.561 -2.836 1.00 0.00 C ATOM 44 O LYS A 4 0.013 16.922 -3.758 1.00 0.00 O ATOM 45 CB LYS A 4 0.990 20.011 -2.979 1.00 0.00 C ATOM 46 CG LYS A 4 1.623 21.058 -3.884 1.00 0.00 C ATOM 47 CD LYS A 4 0.672 21.481 -4.990 1.00 0.00 C ATOM 48 CE LYS A 4 0.864 22.943 -5.362 1.00 0.00 C ATOM 49 NZ LYS A 4 -0.079 23.372 -6.433 1.00 0.00 N ATOM 0 H LYS A 4 1.511 18.356 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 4 2.394 18.497 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.076 19.954 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.083 20.340 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.907 21.929 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.538 20.658 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.834 20.857 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.357 21.318 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.717 23.565 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.889 23.101 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.084 24.374 -6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.078 22.796 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.058 23.245 -6.105 1.00 0.00 H new ATOM 63 N HIS A 5 0.171 17.399 -1.565 1.00 0.00 N ATOM 64 CA HIS A 5 -0.858 16.447 -1.169 1.00 0.00 C ATOM 65 C HIS A 5 -1.854 17.105 -0.220 1.00 0.00 C ATOM 66 O HIS A 5 -1.633 17.164 0.989 1.00 0.00 O ATOM 67 CB HIS A 5 -0.227 15.223 -0.504 1.00 0.00 C ATOM 68 CG HIS A 5 0.328 14.234 -1.483 1.00 0.00 C ATOM 69 ND1 HIS A 5 -0.391 13.154 -1.953 1.00 0.00 N ATOM 70 CD2 HIS A 5 1.538 14.170 -2.087 1.00 0.00 C ATOM 71 CE1 HIS A 5 0.354 12.467 -2.802 1.00 0.00 C ATOM 72 NE2 HIS A 5 1.528 13.064 -2.900 1.00 0.00 N ATOM 0 H HIS A 5 0.586 17.916 -0.790 1.00 0.00 H new ATOM 0 HA HIS A 5 -1.389 16.123 -2.064 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.571 15.551 0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.975 14.729 0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 5 2.358 14.860 -1.954 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.054 11.571 -3.326 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.303 12.753 -3.486 1.00 0.00 H new ATOM 81 N VAL A 6 -2.941 17.620 -0.784 1.00 0.00 N ATOM 82 CA VAL A 6 -3.960 18.307 -0.001 1.00 0.00 C ATOM 83 C VAL A 6 -4.838 17.315 0.768 1.00 0.00 C ATOM 84 O VAL A 6 -4.455 16.164 0.974 1.00 0.00 O ATOM 85 CB VAL A 6 -4.834 19.207 -0.904 1.00 0.00 C ATOM 86 CG1 VAL A 6 -3.956 20.090 -1.778 1.00 0.00 C ATOM 87 CG2 VAL A 6 -5.771 18.369 -1.762 1.00 0.00 C ATOM 0 H VAL A 6 -3.139 17.574 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.445 18.936 0.725 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.443 19.845 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.585 20.718 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.331 20.721 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.322 19.464 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.375 19.025 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.186 17.701 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.424 17.779 -1.118 1.00 0.00 H new ATOM 97 N SER A 7 -6.019 17.770 1.179 1.00 0.00 N ATOM 98 CA SER A 7 -6.945 16.944 1.949 1.00 0.00 C ATOM 99 C SER A 7 -7.530 15.795 1.124 1.00 0.00 C ATOM 100 O SER A 7 -8.249 14.950 1.658 1.00 0.00 O ATOM 101 CB SER A 7 -8.080 17.808 2.500 1.00 0.00 C ATOM 102 OG SER A 7 -9.180 17.011 2.901 1.00 0.00 O ATOM 0 H SER A 7 -6.359 18.713 0.990 1.00 0.00 H new ATOM 0 HA SER A 7 -6.376 16.503 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.720 18.389 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.401 18.520 1.740 1.00 0.00 H new ATOM 0 HG SER A 7 -8.917 16.067 2.903 1.00 0.00 H new ATOM 108 N HIS A 8 -7.237 15.763 -0.176 1.00 0.00 N ATOM 109 CA HIS A 8 -7.757 14.711 -1.046 1.00 0.00 C ATOM 110 C HIS A 8 -7.067 13.368 -0.795 1.00 0.00 C ATOM 111 O HIS A 8 -7.427 12.359 -1.401 1.00 0.00 O ATOM 112 CB HIS A 8 -7.604 15.111 -2.516 1.00 0.00 C ATOM 113 CG HIS A 8 -6.182 15.296 -2.949 1.00 0.00 C ATOM 114 ND1 HIS A 8 -5.771 16.327 -3.769 1.00 0.00 N ATOM 115 CD2 HIS A 8 -5.070 14.568 -2.680 1.00 0.00 C ATOM 116 CE1 HIS A 8 -4.470 16.231 -3.978 1.00 0.00 C ATOM 117 NE2 HIS A 8 -4.023 15.172 -3.329 1.00 0.00 N ATOM 0 H HIS A 8 -6.646 16.449 -0.646 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.815 14.590 -0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.067 14.347 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.150 16.038 -2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.018 13.679 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.874 16.904 -4.577 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.054 14.854 -3.313 1.00 0.00 H new ATOM 126 N VAL A 9 -6.092 13.353 0.107 1.00 0.00 N ATOM 127 CA VAL A 9 -5.373 12.130 0.436 1.00 0.00 C ATOM 128 C VAL A 9 -5.202 11.989 1.943 1.00 0.00 C ATOM 129 O VAL A 9 -5.162 12.980 2.671 1.00 0.00 O ATOM 130 CB VAL A 9 -3.982 12.100 -0.229 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.170 13.319 0.181 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.242 10.816 0.123 1.00 0.00 C ATOM 0 H VAL A 9 -5.782 14.176 0.624 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.968 11.299 0.057 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.118 12.126 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.191 13.282 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.691 14.225 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.045 13.325 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.263 10.817 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.116 10.753 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.816 9.958 -0.226 1.00 0.00 H new ATOM 142 N GLY A 10 -5.107 10.749 2.402 1.00 0.00 N ATOM 143 CA GLY A 10 -4.924 10.493 3.813 1.00 0.00 C ATOM 144 C GLY A 10 -3.464 10.273 4.160 1.00 0.00 C ATOM 145 O GLY A 10 -3.007 10.657 5.236 1.00 0.00 O ATOM 0 H GLY A 10 -5.154 9.914 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.312 11.334 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.503 9.615 4.101 1.00 0.00 H new ATOM 149 N TRP A 11 -2.729 9.671 3.228 1.00 0.00 N ATOM 150 CA TRP A 11 -1.308 9.420 3.414 1.00 0.00 C ATOM 151 C TRP A 11 -0.498 10.672 3.083 1.00 0.00 C ATOM 152 O TRP A 11 -0.857 11.442 2.191 1.00 0.00 O ATOM 153 CB TRP A 11 -0.861 8.228 2.545 1.00 0.00 C ATOM 154 CG TRP A 11 0.619 8.159 2.297 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.515 7.331 2.907 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.372 8.959 1.378 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.779 7.563 2.421 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.717 8.559 1.481 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.037 9.974 0.476 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.727 9.138 0.717 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.041 10.548 -0.282 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.371 10.129 -0.157 1.00 0.00 C ATOM 0 H TRP A 11 -3.099 9.348 2.334 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.128 9.168 4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.179 7.304 3.027 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.375 8.281 1.585 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.267 6.600 3.662 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.625 7.074 2.712 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.014 10.303 0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.754 8.817 0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.795 11.333 -0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.132 10.598 -0.763 1.00 0.00 H new ATOM 173 N ASP A 12 0.596 10.859 3.806 1.00 0.00 N ATOM 174 CA ASP A 12 1.466 12.010 3.599 1.00 0.00 C ATOM 175 C ASP A 12 2.935 11.592 3.617 1.00 0.00 C ATOM 176 O ASP A 12 3.325 10.695 4.365 1.00 0.00 O ATOM 177 CB ASP A 12 1.210 13.067 4.674 1.00 0.00 C ATOM 178 CG ASP A 12 0.534 14.305 4.117 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.299 14.163 3.198 1.00 0.00 O ATOM 180 OD2 ASP A 12 0.840 15.415 4.598 1.00 0.00 O ATOM 0 H ASP A 12 0.904 10.226 4.544 1.00 0.00 H new ATOM 0 HA ASP A 12 1.241 12.435 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.588 12.639 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.156 13.349 5.135 1.00 0.00 H new ATOM 185 N PRO A 13 3.771 12.237 2.785 1.00 0.00 N ATOM 186 CA PRO A 13 5.203 11.927 2.698 1.00 0.00 C ATOM 187 C PRO A 13 5.980 12.387 3.926 1.00 0.00 C ATOM 188 O PRO A 13 6.912 13.183 3.819 1.00 0.00 O ATOM 189 CB PRO A 13 5.654 12.690 1.461 1.00 0.00 C ATOM 190 CG PRO A 13 4.723 13.837 1.394 1.00 0.00 C ATOM 191 CD PRO A 13 3.392 13.314 1.856 1.00 0.00 C ATOM 0 HA PRO A 13 5.382 10.853 2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.689 13.020 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.592 12.072 0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.064 14.654 2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.658 14.229 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.803 14.087 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.794 12.940 1.025 1.00 0.00 H new ATOM 199 N GLN A 14 5.593 11.878 5.091 1.00 0.00 N ATOM 200 CA GLN A 14 6.258 12.236 6.338 1.00 0.00 C ATOM 201 C GLN A 14 5.999 11.187 7.415 1.00 0.00 C ATOM 202 O GLN A 14 6.887 10.409 7.761 1.00 0.00 O ATOM 203 CB GLN A 14 5.780 13.607 6.820 1.00 0.00 C ATOM 204 CG GLN A 14 6.893 14.639 6.915 1.00 0.00 C ATOM 205 CD GLN A 14 6.380 16.062 6.807 1.00 0.00 C ATOM 206 OE1 GLN A 14 6.670 16.905 7.656 1.00 0.00 O ATOM 207 NE2 GLN A 14 5.613 16.336 5.759 1.00 0.00 N ATOM 0 H GLN A 14 4.823 11.217 5.197 1.00 0.00 H new ATOM 0 HA GLN A 14 7.331 12.278 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.012 13.975 6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.313 13.497 7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.417 14.517 7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.620 14.458 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.398 15.606 5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.239 17.276 5.633 1.00 0.00 H new ATOM 216 N ASN A 15 4.778 11.171 7.938 1.00 0.00 N ATOM 217 CA ASN A 15 4.404 10.217 8.975 1.00 0.00 C ATOM 218 C ASN A 15 4.357 8.797 8.419 1.00 0.00 C ATOM 219 O ASN A 15 4.953 7.879 8.984 1.00 0.00 O ATOM 220 CB ASN A 15 3.045 10.587 9.572 1.00 0.00 C ATOM 221 CG ASN A 15 1.974 10.752 8.511 1.00 0.00 C ATOM 222 OD1 ASN A 15 1.422 9.772 8.013 1.00 0.00 O ATOM 223 ND2 ASN A 15 1.676 11.998 8.159 1.00 0.00 N ATOM 0 H ASN A 15 4.031 11.808 7.661 1.00 0.00 H new ATOM 0 HA ASN A 15 5.161 10.256 9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.738 9.814 10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.139 11.515 10.137 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.964 12.171 7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.159 12.781 8.598 1.00 0.00 H new ATOM 230 N GLY A 16 3.645 8.624 7.309 1.00 0.00 N ATOM 231 CA GLY A 16 3.539 7.314 6.695 1.00 0.00 C ATOM 232 C GLY A 16 2.115 6.794 6.672 1.00 0.00 C ATOM 233 O GLY A 16 1.195 7.498 6.258 1.00 0.00 O ATOM 0 H GLY A 16 3.141 9.367 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.920 7.363 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.170 6.610 7.238 1.00 0.00 H new ATOM 237 N PHE A 17 1.934 5.553 7.115 1.00 0.00 N ATOM 238 CA PHE A 17 0.614 4.931 7.137 1.00 0.00 C ATOM 239 C PHE A 17 -0.159 5.326 8.390 1.00 0.00 C ATOM 240 O PHE A 17 0.427 5.562 9.446 1.00 0.00 O ATOM 241 CB PHE A 17 0.748 3.408 7.075 1.00 0.00 C ATOM 242 CG PHE A 17 0.569 2.840 5.695 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.696 2.706 5.147 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.664 2.432 4.953 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.864 2.181 3.880 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.502 1.906 3.686 1.00 0.00 C ATOM 247 CZ PHE A 17 0.237 1.779 3.148 1.00 0.00 C ATOM 0 H PHE A 17 2.686 4.958 7.464 1.00 0.00 H new ATOM 0 HA PHE A 17 0.062 5.284 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.731 3.123 7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.010 2.960 7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.560 3.015 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.656 2.526 5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.855 2.085 3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.365 1.594 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.108 1.367 2.158 1.00 0.00 H new ATOM 257 N ASP A 18 -1.481 5.383 8.266 1.00 0.00 N ATOM 258 CA ASP A 18 -2.342 5.728 9.391 1.00 0.00 C ATOM 259 C ASP A 18 -3.005 4.478 9.958 1.00 0.00 C ATOM 260 O ASP A 18 -4.179 4.500 10.333 1.00 0.00 O ATOM 261 CB ASP A 18 -3.407 6.735 8.956 1.00 0.00 C ATOM 262 CG ASP A 18 -3.987 7.506 10.126 1.00 0.00 C ATOM 263 OD1 ASP A 18 -4.163 6.903 11.205 1.00 0.00 O ATOM 264 OD2 ASP A 18 -4.266 8.712 9.962 1.00 0.00 O ATOM 0 H ASP A 18 -1.980 5.194 7.396 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.727 6.181 10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.971 7.435 8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.209 6.210 8.437 1.00 0.00 H new ATOM 269 N VAL A 19 -2.247 3.388 10.009 1.00 0.00 N ATOM 270 CA VAL A 19 -2.753 2.114 10.514 1.00 0.00 C ATOM 271 C VAL A 19 -3.543 2.297 11.809 1.00 0.00 C ATOM 272 O VAL A 19 -4.467 1.536 12.095 1.00 0.00 O ATOM 273 CB VAL A 19 -1.603 1.114 10.752 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.736 1.554 11.922 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.147 -0.288 10.976 1.00 0.00 C ATOM 0 H VAL A 19 -1.274 3.360 9.705 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.421 1.715 9.751 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.978 1.096 9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.068 0.833 12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.310 2.535 11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.344 1.610 12.825 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.319 -0.977 11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.801 -0.290 11.848 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.712 -0.604 10.099 1.00 0.00 H new ATOM 285 N ASN A 20 -3.180 3.315 12.584 1.00 0.00 N ATOM 286 CA ASN A 20 -3.872 3.600 13.835 1.00 0.00 C ATOM 287 C ASN A 20 -5.367 3.757 13.585 1.00 0.00 C ATOM 288 O ASN A 20 -6.194 3.226 14.326 1.00 0.00 O ATOM 289 CB ASN A 20 -3.311 4.870 14.477 1.00 0.00 C ATOM 290 CG ASN A 20 -1.841 4.741 14.826 1.00 0.00 C ATOM 291 OD1 ASN A 20 -1.440 3.826 15.545 1.00 0.00 O ATOM 292 ND2 ASN A 20 -1.028 5.660 14.317 1.00 0.00 N ATOM 0 H ASN A 20 -2.414 3.953 12.368 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.714 2.765 14.517 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.447 5.709 13.795 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.877 5.098 15.380 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.029 5.624 14.518 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.403 6.401 13.726 1.00 0.00 H new ATOM 299 N ASN A 21 -5.701 4.475 12.519 1.00 0.00 N ATOM 300 CA ASN A 21 -7.091 4.681 12.134 1.00 0.00 C ATOM 301 C ASN A 21 -7.350 4.088 10.754 1.00 0.00 C ATOM 302 O ASN A 21 -8.223 4.550 10.020 1.00 0.00 O ATOM 303 CB ASN A 21 -7.426 6.174 12.132 1.00 0.00 C ATOM 304 CG ASN A 21 -8.469 6.538 13.172 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.263 5.697 13.593 1.00 0.00 O ATOM 306 ND2 ASN A 21 -8.472 7.798 13.590 1.00 0.00 N ATOM 0 H ASN A 21 -5.024 4.926 11.904 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.730 4.178 12.860 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.517 6.747 12.318 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.787 6.460 11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.151 8.102 14.288 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.795 8.462 13.214 1.00 0.00 H new ATOM 313 N LEU A 22 -6.573 3.066 10.405 1.00 0.00 N ATOM 314 CA LEU A 22 -6.702 2.410 9.110 1.00 0.00 C ATOM 315 C LEU A 22 -8.142 1.979 8.857 1.00 0.00 C ATOM 316 O LEU A 22 -8.786 1.391 9.726 1.00 0.00 O ATOM 317 CB LEU A 22 -5.771 1.196 9.039 1.00 0.00 C ATOM 318 CG LEU A 22 -4.780 1.201 7.867 1.00 0.00 C ATOM 319 CD1 LEU A 22 -4.138 2.572 7.695 1.00 0.00 C ATOM 320 CD2 LEU A 22 -3.729 0.113 8.032 1.00 0.00 C ATOM 0 H LEU A 22 -5.846 2.674 11.004 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.418 3.125 8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.208 1.135 9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.380 0.294 8.975 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.339 0.983 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.441 2.545 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.912 3.314 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.601 2.839 8.605 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.041 0.141 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.176 0.279 8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.217 -0.861 8.071 1.00 0.00 H new ATOM 332 N ASP A 23 -8.640 2.274 7.661 1.00 0.00 N ATOM 333 CA ASP A 23 -10.006 1.919 7.294 1.00 0.00 C ATOM 334 C ASP A 23 -10.253 0.426 7.485 1.00 0.00 C ATOM 335 O ASP A 23 -9.376 -0.397 7.219 1.00 0.00 O ATOM 336 CB ASP A 23 -10.283 2.308 5.841 1.00 0.00 C ATOM 337 CG ASP A 23 -11.316 3.413 5.726 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.574 4.093 6.741 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.868 3.597 4.620 1.00 0.00 O ATOM 0 H ASP A 23 -8.119 2.758 6.930 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.683 2.468 7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.354 2.632 5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.629 1.432 5.293 1.00 0.00 H new ATOM 344 N PRO A 24 -11.458 0.054 7.949 1.00 0.00 N ATOM 345 CA PRO A 24 -11.819 -1.349 8.170 1.00 0.00 C ATOM 346 C PRO A 24 -11.606 -2.201 6.923 1.00 0.00 C ATOM 347 O PRO A 24 -10.876 -3.192 6.953 1.00 0.00 O ATOM 348 CB PRO A 24 -13.307 -1.287 8.527 1.00 0.00 C ATOM 349 CG PRO A 24 -13.518 0.093 9.047 1.00 0.00 C ATOM 350 CD PRO A 24 -12.562 0.971 8.289 1.00 0.00 C ATOM 0 HA PRO A 24 -11.204 -1.810 8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.931 -1.480 7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.565 -2.036 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.548 0.414 8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.325 0.140 10.119 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.024 1.393 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.217 1.808 8.896 1.00 0.00 H new ATOM 358 N ASP A 25 -12.247 -1.808 5.827 1.00 0.00 N ATOM 359 CA ASP A 25 -12.123 -2.531 4.567 1.00 0.00 C ATOM 360 C ASP A 25 -10.677 -2.540 4.088 1.00 0.00 C ATOM 361 O ASP A 25 -10.181 -3.553 3.595 1.00 0.00 O ATOM 362 CB ASP A 25 -13.021 -1.901 3.501 1.00 0.00 C ATOM 363 CG ASP A 25 -14.489 -1.964 3.870 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.882 -1.302 4.853 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.247 -2.672 3.174 1.00 0.00 O ATOM 0 H ASP A 25 -12.858 -0.992 5.786 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.439 -3.560 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.731 -0.861 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.866 -2.412 2.551 1.00 0.00 H new ATOM 370 N LEU A 26 -10.003 -1.404 4.239 1.00 0.00 N ATOM 371 CA LEU A 26 -8.612 -1.282 3.829 1.00 0.00 C ATOM 372 C LEU A 26 -7.721 -2.203 4.653 1.00 0.00 C ATOM 373 O LEU A 26 -6.856 -2.893 4.114 1.00 0.00 O ATOM 374 CB LEU A 26 -8.141 0.166 3.971 1.00 0.00 C ATOM 375 CG LEU A 26 -6.973 0.557 3.063 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.758 -0.312 3.355 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.374 0.441 1.602 1.00 0.00 C ATOM 0 H LEU A 26 -10.400 -0.555 4.643 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.540 -1.578 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.981 0.828 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.850 0.338 5.007 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.710 1.595 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.937 -0.021 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.458 -0.180 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.008 -1.358 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.532 0.723 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.663 -0.587 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.216 1.104 1.402 1.00 0.00 H new ATOM 389 N ARG A 27 -7.941 -2.215 5.965 1.00 0.00 N ATOM 390 CA ARG A 27 -7.163 -3.062 6.859 1.00 0.00 C ATOM 391 C ARG A 27 -7.183 -4.509 6.378 1.00 0.00 C ATOM 392 O ARG A 27 -6.264 -5.279 6.657 1.00 0.00 O ATOM 393 CB ARG A 27 -7.710 -2.979 8.286 1.00 0.00 C ATOM 394 CG ARG A 27 -6.668 -2.559 9.308 1.00 0.00 C ATOM 395 CD ARG A 27 -6.683 -3.466 10.528 1.00 0.00 C ATOM 396 NE ARG A 27 -7.223 -2.792 11.706 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.521 -1.954 12.463 1.00 0.00 C ATOM 398 NH1 ARG A 27 -5.257 -1.687 12.164 1.00 0.00 N ATOM 399 NH2 ARG A 27 -7.084 -1.381 13.518 1.00 0.00 N ATOM 0 H ARG A 27 -8.650 -1.649 6.430 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.133 -2.705 6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.537 -2.270 8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.115 -3.951 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.679 -2.581 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.854 -1.530 9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.279 -4.353 10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.669 -3.807 10.739 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.193 -2.974 11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.822 -2.125 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.720 -1.044 12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.057 -1.583 13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.544 -0.738 14.098 1.00 0.00 H new ATOM 413 N SER A 28 -8.243 -4.873 5.664 1.00 0.00 N ATOM 414 CA SER A 28 -8.374 -6.221 5.125 1.00 0.00 C ATOM 415 C SER A 28 -7.681 -6.320 3.772 1.00 0.00 C ATOM 416 O SER A 28 -7.202 -7.384 3.383 1.00 0.00 O ATOM 417 CB SER A 28 -9.849 -6.600 4.990 1.00 0.00 C ATOM 418 OG SER A 28 -10.206 -7.605 5.922 1.00 0.00 O ATOM 0 H SER A 28 -9.023 -4.253 5.445 1.00 0.00 H new ATOM 0 HA SER A 28 -7.896 -6.917 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.470 -5.718 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.046 -6.953 3.978 1.00 0.00 H new ATOM 0 HG SER A 28 -11.154 -7.828 5.816 1.00 0.00 H new ATOM 424 N LEU A 29 -7.630 -5.197 3.065 1.00 0.00 N ATOM 425 CA LEU A 29 -6.988 -5.146 1.759 1.00 0.00 C ATOM 426 C LEU A 29 -5.526 -5.572 1.857 1.00 0.00 C ATOM 427 O LEU A 29 -4.938 -6.037 0.881 1.00 0.00 O ATOM 428 CB LEU A 29 -7.085 -3.734 1.175 1.00 0.00 C ATOM 429 CG LEU A 29 -6.701 -3.618 -0.302 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.338 -4.739 -1.110 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.110 -2.262 -0.855 1.00 0.00 C ATOM 0 H LEU A 29 -8.026 -4.310 3.375 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.506 -5.840 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.107 -3.375 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.442 -3.072 1.755 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.618 -3.710 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.053 -4.640 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.995 -5.701 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.423 -4.680 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.829 -2.198 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.189 -2.141 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.606 -1.474 -0.296 1.00 0.00 H new ATOM 443 N PHE A 30 -4.948 -5.416 3.044 1.00 0.00 N ATOM 444 CA PHE A 30 -3.559 -5.799 3.274 1.00 0.00 C ATOM 445 C PHE A 30 -3.455 -7.284 3.596 1.00 0.00 C ATOM 446 O PHE A 30 -2.746 -8.029 2.918 1.00 0.00 O ATOM 447 CB PHE A 30 -2.963 -4.979 4.420 1.00 0.00 C ATOM 448 CG PHE A 30 -2.873 -3.508 4.127 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.276 -3.057 2.962 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.382 -2.579 5.020 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.189 -1.704 2.691 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.299 -1.225 4.754 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.700 -0.788 3.589 1.00 0.00 C ATOM 0 H PHE A 30 -5.419 -5.027 3.861 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.997 -5.598 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.569 -5.126 5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.966 -5.357 4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.874 -3.770 2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.849 -2.916 5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.722 -1.364 1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.702 -0.510 5.456 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.631 0.269 3.380 1.00 0.00 H new ATOM 463 N SER A 31 -4.167 -7.710 4.634 1.00 0.00 N ATOM 464 CA SER A 31 -4.159 -9.108 5.045 1.00 0.00 C ATOM 465 C SER A 31 -4.456 -10.022 3.860 1.00 0.00 C ATOM 466 O SER A 31 -4.066 -11.189 3.851 1.00 0.00 O ATOM 467 CB SER A 31 -5.187 -9.342 6.153 1.00 0.00 C ATOM 468 OG SER A 31 -6.264 -8.426 6.053 1.00 0.00 O ATOM 0 H SER A 31 -4.757 -7.106 5.206 1.00 0.00 H new ATOM 0 HA SER A 31 -3.165 -9.344 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.566 -10.362 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.707 -9.239 7.126 1.00 0.00 H new ATOM 0 HG SER A 31 -6.513 -8.315 5.112 1.00 0.00 H new ATOM 474 N ARG A 32 -5.149 -9.483 2.862 1.00 0.00 N ATOM 475 CA ARG A 32 -5.498 -10.250 1.673 1.00 0.00 C ATOM 476 C ARG A 32 -4.381 -10.187 0.637 1.00 0.00 C ATOM 477 O ARG A 32 -4.255 -11.074 -0.208 1.00 0.00 O ATOM 478 CB ARG A 32 -6.801 -9.725 1.066 1.00 0.00 C ATOM 479 CG ARG A 32 -8.046 -10.163 1.821 1.00 0.00 C ATOM 480 CD ARG A 32 -9.313 -9.820 1.055 1.00 0.00 C ATOM 481 NE ARG A 32 -10.504 -9.918 1.894 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.744 -9.806 1.428 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.950 -9.594 0.135 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.777 -9.906 2.252 1.00 0.00 N ATOM 0 H ARG A 32 -5.480 -8.518 2.854 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.636 -11.290 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.767 -8.636 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.874 -10.066 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.006 -11.238 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.069 -9.680 2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.233 -8.809 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.414 -10.492 0.202 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.378 -10.081 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.157 -9.517 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.901 -9.508 -0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.622 -10.069 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.727 -9.820 1.891 1.00 0.00 H new ATOM 498 N ALA A 33 -3.571 -9.133 0.704 1.00 0.00 N ATOM 499 CA ALA A 33 -2.465 -8.962 -0.231 1.00 0.00 C ATOM 500 C ALA A 33 -1.176 -9.558 0.326 1.00 0.00 C ATOM 501 O ALA A 33 -0.268 -9.907 -0.428 1.00 0.00 O ATOM 502 CB ALA A 33 -2.271 -7.490 -0.561 1.00 0.00 C ATOM 0 H ALA A 33 -3.660 -8.387 1.394 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.714 -9.496 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.442 -7.380 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.181 -7.095 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.051 -6.938 0.353 1.00 0.00 H new ATOM 508 N GLY A 34 -1.105 -9.681 1.649 1.00 0.00 N ATOM 509 CA GLY A 34 0.073 -10.247 2.277 1.00 0.00 C ATOM 510 C GLY A 34 0.938 -9.204 2.959 1.00 0.00 C ATOM 511 O GLY A 34 2.153 -9.371 3.066 1.00 0.00 O ATOM 0 H GLY A 34 -1.842 -9.399 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.235 -10.992 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.665 -10.767 1.524 1.00 0.00 H new ATOM 515 N ILE A 35 0.313 -8.129 3.429 1.00 0.00 N ATOM 516 CA ILE A 35 1.040 -7.065 4.111 1.00 0.00 C ATOM 517 C ILE A 35 0.597 -6.947 5.566 1.00 0.00 C ATOM 518 O ILE A 35 -0.592 -7.039 5.874 1.00 0.00 O ATOM 519 CB ILE A 35 0.842 -5.705 3.417 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.147 -5.818 1.923 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.724 -4.648 4.063 1.00 0.00 C ATOM 522 CD1 ILE A 35 1.066 -4.497 1.188 1.00 0.00 C ATOM 0 H ILE A 35 -0.692 -7.972 3.350 1.00 0.00 H new ATOM 0 HA ILE A 35 2.096 -7.331 4.070 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.199 -5.404 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.146 -6.235 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.448 -6.520 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.573 -3.692 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.463 -4.550 5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.770 -4.943 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.294 -4.653 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.060 -4.088 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.785 -3.798 1.615 1.00 0.00 H new ATOM 534 N SER A 36 1.560 -6.744 6.459 1.00 0.00 N ATOM 535 CA SER A 36 1.268 -6.611 7.882 1.00 0.00 C ATOM 536 C SER A 36 1.611 -5.210 8.378 1.00 0.00 C ATOM 537 O SER A 36 2.164 -4.397 7.637 1.00 0.00 O ATOM 538 CB SER A 36 2.053 -7.651 8.683 1.00 0.00 C ATOM 539 OG SER A 36 2.687 -8.585 7.827 1.00 0.00 O ATOM 0 H SER A 36 2.549 -6.668 6.223 1.00 0.00 H new ATOM 0 HA SER A 36 0.201 -6.779 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.801 -7.151 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.380 -8.175 9.362 1.00 0.00 H new ATOM 0 HG SER A 36 3.437 -8.152 7.369 1.00 0.00 H new ATOM 545 N GLU A 37 1.283 -4.935 9.637 1.00 0.00 N ATOM 546 CA GLU A 37 1.561 -3.632 10.230 1.00 0.00 C ATOM 547 C GLU A 37 3.017 -3.236 10.009 1.00 0.00 C ATOM 548 O GLU A 37 3.322 -2.070 9.756 1.00 0.00 O ATOM 549 CB GLU A 37 1.247 -3.650 11.728 1.00 0.00 C ATOM 550 CG GLU A 37 0.358 -2.501 12.175 1.00 0.00 C ATOM 551 CD GLU A 37 0.051 -2.544 13.659 1.00 0.00 C ATOM 552 OE1 GLU A 37 -0.030 -3.658 14.218 1.00 0.00 O ATOM 553 OE2 GLU A 37 -0.107 -1.463 14.264 1.00 0.00 O ATOM 0 H GLU A 37 0.825 -5.596 10.265 1.00 0.00 H new ATOM 0 HA GLU A 37 0.923 -2.895 9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.761 -4.593 11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.182 -3.615 12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.845 -1.556 11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.576 -2.530 11.614 1.00 0.00 H new ATOM 560 N ALA A 38 3.913 -4.213 10.101 1.00 0.00 N ATOM 561 CA ALA A 38 5.336 -3.966 9.902 1.00 0.00 C ATOM 562 C ALA A 38 5.577 -3.209 8.601 1.00 0.00 C ATOM 563 O ALA A 38 6.195 -2.145 8.594 1.00 0.00 O ATOM 564 CB ALA A 38 6.107 -5.278 9.905 1.00 0.00 C ATOM 0 H ALA A 38 3.679 -5.183 10.312 1.00 0.00 H new ATOM 0 HA ALA A 38 5.695 -3.349 10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.168 -5.077 9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.964 -5.782 10.861 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.742 -5.917 9.101 1.00 0.00 H new ATOM 570 N GLN A 39 5.072 -3.760 7.502 1.00 0.00 N ATOM 571 CA GLN A 39 5.209 -3.128 6.197 1.00 0.00 C ATOM 572 C GLN A 39 4.474 -1.792 6.167 1.00 0.00 C ATOM 573 O GLN A 39 4.825 -0.893 5.404 1.00 0.00 O ATOM 574 CB GLN A 39 4.658 -4.046 5.103 1.00 0.00 C ATOM 575 CG GLN A 39 5.588 -5.194 4.745 1.00 0.00 C ATOM 576 CD GLN A 39 5.825 -6.136 5.909 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.917 -6.843 6.346 1.00 0.00 O ATOM 578 NE2 GLN A 39 7.052 -6.151 6.419 1.00 0.00 N ATOM 0 H GLN A 39 4.564 -4.644 7.490 1.00 0.00 H new ATOM 0 HA GLN A 39 6.269 -2.950 6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.701 -4.453 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.464 -3.455 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.165 -5.753 3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.543 -4.791 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.775 -5.548 6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.271 -6.765 7.203 1.00 0.00 H new ATOM 587 N LEU A 40 3.451 -1.674 7.007 1.00 0.00 N ATOM 588 CA LEU A 40 2.654 -0.459 7.082 1.00 0.00 C ATOM 589 C LEU A 40 3.392 0.637 7.846 1.00 0.00 C ATOM 590 O LEU A 40 3.451 1.784 7.403 1.00 0.00 O ATOM 591 CB LEU A 40 1.315 -0.760 7.760 1.00 0.00 C ATOM 592 CG LEU A 40 0.307 -1.521 6.895 1.00 0.00 C ATOM 593 CD1 LEU A 40 -1.040 -1.608 7.597 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.161 -0.856 5.534 1.00 0.00 C ATOM 0 H LEU A 40 3.155 -2.410 7.648 1.00 0.00 H new ATOM 0 HA LEU A 40 2.476 -0.102 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.505 -1.339 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.864 0.182 8.073 1.00 0.00 H new ATOM 0 HG LEU A 40 0.680 -2.534 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.744 -2.152 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.923 -2.131 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.420 -0.603 7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.560 -1.411 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.188 0.168 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.126 -0.848 5.027 1.00 0.00 H new ATOM 606 N THR A 41 3.955 0.276 8.995 1.00 0.00 N ATOM 607 CA THR A 41 4.681 1.231 9.826 1.00 0.00 C ATOM 608 C THR A 41 5.977 1.679 9.155 1.00 0.00 C ATOM 609 O THR A 41 6.497 2.756 9.446 1.00 0.00 O ATOM 610 CB THR A 41 4.990 0.616 11.192 1.00 0.00 C ATOM 611 OG1 THR A 41 6.001 -0.371 11.080 1.00 0.00 O ATOM 612 CG2 THR A 41 3.787 -0.028 11.846 1.00 0.00 C ATOM 0 H THR A 41 3.923 -0.671 9.372 1.00 0.00 H new ATOM 0 HA THR A 41 4.046 2.107 9.959 1.00 0.00 H new ATOM 0 HB THR A 41 5.318 1.448 11.816 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.908 -0.839 10.224 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.077 -0.444 12.811 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.008 0.721 11.993 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.408 -0.825 11.206 1.00 0.00 H new ATOM 620 N ASP A 42 6.495 0.846 8.259 1.00 0.00 N ATOM 621 CA ASP A 42 7.733 1.158 7.553 1.00 0.00 C ATOM 622 C ASP A 42 7.575 2.409 6.696 1.00 0.00 C ATOM 623 O ASP A 42 6.873 2.397 5.685 1.00 0.00 O ATOM 624 CB ASP A 42 8.156 -0.022 6.676 1.00 0.00 C ATOM 625 CG ASP A 42 9.459 -0.645 7.133 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.368 0.110 7.541 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.574 -1.888 7.082 1.00 0.00 O ATOM 0 H ASP A 42 6.078 -0.049 8.004 1.00 0.00 H new ATOM 0 HA ASP A 42 8.506 1.346 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.371 -0.779 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.260 0.315 5.644 1.00 0.00 H new ATOM 632 N ALA A 43 8.238 3.488 7.102 1.00 0.00 N ATOM 633 CA ALA A 43 8.174 4.748 6.370 1.00 0.00 C ATOM 634 C ALA A 43 8.664 4.575 4.936 1.00 0.00 C ATOM 635 O ALA A 43 8.147 5.203 4.013 1.00 0.00 O ATOM 636 CB ALA A 43 8.987 5.817 7.085 1.00 0.00 C ATOM 0 H ALA A 43 8.826 3.514 7.935 1.00 0.00 H new ATOM 0 HA ALA A 43 7.132 5.066 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.930 6.752 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.587 5.968 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.027 5.498 7.153 1.00 0.00 H new ATOM 642 N GLU A 44 9.667 3.719 4.756 1.00 0.00 N ATOM 643 CA GLU A 44 10.220 3.460 3.433 1.00 0.00 C ATOM 644 C GLU A 44 9.231 2.680 2.575 1.00 0.00 C ATOM 645 O GLU A 44 8.887 3.098 1.469 1.00 0.00 O ATOM 646 CB GLU A 44 11.535 2.685 3.546 1.00 0.00 C ATOM 647 CG GLU A 44 12.483 2.923 2.381 1.00 0.00 C ATOM 648 CD GLU A 44 13.294 1.691 2.028 1.00 0.00 C ATOM 649 OE1 GLU A 44 12.725 0.578 2.055 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.496 1.838 1.725 1.00 0.00 O ATOM 0 H GLU A 44 10.112 3.195 5.510 1.00 0.00 H new ATOM 0 HA GLU A 44 10.413 4.420 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.034 2.966 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.315 1.620 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.910 3.238 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.160 3.740 2.629 1.00 0.00 H new ATOM 657 N THR A 45 8.773 1.547 3.096 1.00 0.00 N ATOM 658 CA THR A 45 7.814 0.712 2.381 1.00 0.00 C ATOM 659 C THR A 45 6.492 1.448 2.195 1.00 0.00 C ATOM 660 O THR A 45 5.782 1.228 1.214 1.00 0.00 O ATOM 661 CB THR A 45 7.580 -0.596 3.140 1.00 0.00 C ATOM 662 OG1 THR A 45 8.786 -1.055 3.727 1.00 0.00 O ATOM 663 CG2 THR A 45 7.040 -1.708 2.268 1.00 0.00 C ATOM 0 H THR A 45 9.049 1.186 4.009 1.00 0.00 H new ATOM 0 HA THR A 45 8.227 0.484 1.398 1.00 0.00 H new ATOM 0 HB THR A 45 6.834 -0.361 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.617 -1.891 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.898 -2.606 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.085 -1.403 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.748 -1.917 1.466 1.00 0.00 H new ATOM 671 N SER A 46 6.170 2.331 3.137 1.00 0.00 N ATOM 672 CA SER A 46 4.932 3.100 3.066 1.00 0.00 C ATOM 673 C SER A 46 4.793 3.772 1.705 1.00 0.00 C ATOM 674 O SER A 46 3.824 3.540 0.984 1.00 0.00 O ATOM 675 CB SER A 46 4.892 4.153 4.174 1.00 0.00 C ATOM 676 OG SER A 46 5.725 5.255 3.862 1.00 0.00 O ATOM 0 H SER A 46 6.746 2.531 3.954 1.00 0.00 H new ATOM 0 HA SER A 46 4.097 2.412 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.867 4.497 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.212 3.707 5.116 1.00 0.00 H new ATOM 0 HG SER A 46 6.659 4.959 3.825 1.00 0.00 H new ATOM 682 N LYS A 47 5.771 4.601 1.357 1.00 0.00 N ATOM 683 CA LYS A 47 5.765 5.286 0.072 1.00 0.00 C ATOM 684 C LYS A 47 5.749 4.273 -1.067 1.00 0.00 C ATOM 685 O LYS A 47 5.175 4.521 -2.128 1.00 0.00 O ATOM 686 CB LYS A 47 6.988 6.197 -0.052 1.00 0.00 C ATOM 687 CG LYS A 47 7.173 7.131 1.133 1.00 0.00 C ATOM 688 CD LYS A 47 7.718 8.482 0.701 1.00 0.00 C ATOM 689 CE LYS A 47 8.954 8.863 1.499 1.00 0.00 C ATOM 690 NZ LYS A 47 10.080 7.916 1.267 1.00 0.00 N ATOM 0 H LYS A 47 6.576 4.814 1.946 1.00 0.00 H new ATOM 0 HA LYS A 47 4.865 5.898 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.880 5.581 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.898 6.791 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.218 7.269 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.854 6.676 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.963 8.454 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.950 9.244 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.266 9.871 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.709 8.882 2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.983 8.397 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.983 7.099 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.062 7.590 0.280 1.00 0.00 H new ATOM 704 N LEU A 48 6.372 3.124 -0.828 1.00 0.00 N ATOM 705 CA LEU A 48 6.422 2.056 -1.819 1.00 0.00 C ATOM 706 C LEU A 48 5.043 1.429 -1.999 1.00 0.00 C ATOM 707 O LEU A 48 4.692 0.972 -3.086 1.00 0.00 O ATOM 708 CB LEU A 48 7.430 0.990 -1.384 1.00 0.00 C ATOM 709 CG LEU A 48 7.567 -0.202 -2.333 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.396 -1.158 -2.162 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.668 0.273 -3.774 1.00 0.00 C ATOM 0 H LEU A 48 6.851 2.908 0.046 1.00 0.00 H new ATOM 0 HA LEU A 48 6.737 2.479 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.407 1.460 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.141 0.620 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 48 8.483 -0.737 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.511 -2.000 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.372 -1.524 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.465 -0.636 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.765 -0.588 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.770 0.833 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.541 0.916 -3.885 1.00 0.00 H new ATOM 723 N ILE A 49 4.268 1.415 -0.920 1.00 0.00 N ATOM 724 CA ILE A 49 2.923 0.854 -0.943 1.00 0.00 C ATOM 725 C ILE A 49 1.897 1.901 -1.356 1.00 0.00 C ATOM 726 O ILE A 49 0.799 1.559 -1.798 1.00 0.00 O ATOM 727 CB ILE A 49 2.534 0.278 0.433 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.551 -0.778 0.872 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.133 -0.315 0.389 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.557 -1.031 2.364 1.00 0.00 C ATOM 0 H ILE A 49 4.551 1.788 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 49 2.927 0.049 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 49 2.538 1.089 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.337 -1.713 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.547 -0.462 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.877 -0.716 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.418 0.461 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.100 -1.115 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.302 -1.791 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.801 -0.107 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.573 -1.378 2.678 1.00 0.00 H new ATOM 742 N TYR A 50 2.249 3.176 -1.213 1.00 0.00 N ATOM 743 CA TYR A 50 1.323 4.245 -1.561 1.00 0.00 C ATOM 744 C TYR A 50 1.042 4.249 -3.063 1.00 0.00 C ATOM 745 O TYR A 50 -0.002 4.730 -3.502 1.00 0.00 O ATOM 746 CB TYR A 50 1.830 5.618 -1.032 1.00 0.00 C ATOM 747 CG TYR A 50 1.972 6.718 -2.072 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.949 6.649 -3.056 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.124 7.822 -2.063 1.00 0.00 C ATOM 750 CE1 TYR A 50 3.080 7.646 -4.003 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.250 8.823 -3.009 1.00 0.00 C ATOM 752 CZ TYR A 50 2.229 8.731 -3.975 1.00 0.00 C ATOM 753 OH TYR A 50 2.358 9.725 -4.917 1.00 0.00 O ATOM 0 H TYR A 50 3.155 3.489 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 50 0.370 4.060 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.145 5.963 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.799 5.467 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.618 5.801 -3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.357 7.898 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.845 7.576 -4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.584 9.673 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 50 1.469 10.038 -5.186 1.00 0.00 H new ATOM 763 N ASP A 51 1.945 3.667 -3.839 1.00 0.00 N ATOM 764 CA ASP A 51 1.727 3.540 -5.269 1.00 0.00 C ATOM 765 C ASP A 51 0.452 2.739 -5.530 1.00 0.00 C ATOM 766 O ASP A 51 -0.127 2.811 -6.612 1.00 0.00 O ATOM 767 CB ASP A 51 2.921 2.854 -5.934 1.00 0.00 C ATOM 768 CG ASP A 51 2.745 2.707 -7.432 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.969 1.824 -7.854 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.384 3.474 -8.184 1.00 0.00 O ATOM 0 H ASP A 51 2.827 3.279 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 51 1.618 4.537 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.825 3.429 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.064 1.869 -5.490 1.00 0.00 H new ATOM 775 N PHE A 52 0.019 1.976 -4.521 1.00 0.00 N ATOM 776 CA PHE A 52 -1.176 1.152 -4.638 1.00 0.00 C ATOM 777 C PHE A 52 -2.434 1.916 -4.215 1.00 0.00 C ATOM 778 O PHE A 52 -3.352 2.098 -5.016 1.00 0.00 O ATOM 779 CB PHE A 52 -1.015 -0.122 -3.798 1.00 0.00 C ATOM 780 CG PHE A 52 -2.274 -0.938 -3.695 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.707 -1.700 -4.768 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.028 -0.931 -2.533 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.869 -2.444 -4.683 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.190 -1.675 -2.441 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.612 -2.431 -3.519 1.00 0.00 C ATOM 0 H PHE A 52 0.483 1.916 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.297 0.880 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.228 -0.737 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.687 0.153 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.130 -1.713 -5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.705 -0.338 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.195 -3.035 -5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.767 -1.666 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.521 -3.010 -3.451 1.00 0.00 H new ATOM 795 N ILE A 53 -2.487 2.351 -2.954 1.00 0.00 N ATOM 796 CA ILE A 53 -3.660 3.083 -2.457 1.00 0.00 C ATOM 797 C ILE A 53 -3.808 4.425 -3.169 1.00 0.00 C ATOM 798 O ILE A 53 -4.892 5.007 -3.189 1.00 0.00 O ATOM 799 CB ILE A 53 -3.685 3.264 -0.907 1.00 0.00 C ATOM 800 CG1 ILE A 53 -2.854 2.180 -0.213 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.124 3.221 -0.412 1.00 0.00 C ATOM 802 CD1 ILE A 53 -2.947 2.226 1.293 1.00 0.00 C ATOM 0 H ILE A 53 -1.746 2.214 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.521 2.458 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.246 4.231 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.184 1.201 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.810 2.288 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.140 3.347 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.694 4.024 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.570 2.261 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.335 1.431 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.589 3.192 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.984 2.088 1.598 1.00 0.00 H new ATOM 814 N GLU A 54 -2.723 4.900 -3.776 1.00 0.00 N ATOM 815 CA GLU A 54 -2.751 6.158 -4.516 1.00 0.00 C ATOM 816 C GLU A 54 -3.239 5.948 -5.950 1.00 0.00 C ATOM 817 O GLU A 54 -3.691 6.888 -6.604 1.00 0.00 O ATOM 818 CB GLU A 54 -1.360 6.792 -4.533 1.00 0.00 C ATOM 819 CG GLU A 54 -1.355 8.234 -5.016 1.00 0.00 C ATOM 820 CD GLU A 54 -0.314 8.487 -6.087 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.026 7.554 -6.867 1.00 0.00 O ATOM 822 OE2 GLU A 54 0.215 9.616 -6.147 1.00 0.00 O ATOM 0 H GLU A 54 -1.816 4.434 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.448 6.826 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.939 6.753 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.708 6.200 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.341 8.486 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.169 8.896 -4.170 1.00 0.00 H new ATOM 829 N ASP A 55 -3.122 4.717 -6.442 1.00 0.00 N ATOM 830 CA ASP A 55 -3.506 4.398 -7.816 1.00 0.00 C ATOM 831 C ASP A 55 -4.970 3.972 -7.915 1.00 0.00 C ATOM 832 O ASP A 55 -5.696 4.429 -8.797 1.00 0.00 O ATOM 833 CB ASP A 55 -2.609 3.289 -8.368 1.00 0.00 C ATOM 834 CG ASP A 55 -1.569 3.814 -9.340 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.867 4.785 -8.990 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.459 3.252 -10.449 1.00 0.00 O ATOM 0 H ASP A 55 -2.764 3.924 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.380 5.304 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.108 2.786 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.226 2.542 -8.869 1.00 0.00 H new ATOM 841 N GLN A 56 -5.394 3.088 -7.019 1.00 0.00 N ATOM 842 CA GLN A 56 -6.763 2.582 -7.034 1.00 0.00 C ATOM 843 C GLN A 56 -7.782 3.716 -6.982 1.00 0.00 C ATOM 844 O GLN A 56 -8.943 3.534 -7.349 1.00 0.00 O ATOM 845 CB GLN A 56 -6.986 1.632 -5.859 1.00 0.00 C ATOM 846 CG GLN A 56 -6.850 0.168 -6.233 1.00 0.00 C ATOM 847 CD GLN A 56 -5.406 -0.280 -6.310 1.00 0.00 C ATOM 848 OE1 GLN A 56 -4.593 0.060 -5.452 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.076 -1.044 -7.347 1.00 0.00 N ATOM 0 H GLN A 56 -4.811 2.707 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.906 2.043 -7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.270 1.866 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.980 1.803 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.377 -0.441 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.332 -0.004 -7.195 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.783 -1.302 -8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.116 -1.372 -7.454 1.00 0.00 H new ATOM 858 N GLY A 57 -7.345 4.885 -6.529 1.00 0.00 N ATOM 859 CA GLY A 57 -8.240 6.020 -6.429 1.00 0.00 C ATOM 860 C GLY A 57 -8.286 6.584 -5.027 1.00 0.00 C ATOM 861 O GLY A 57 -8.486 7.782 -4.836 1.00 0.00 O ATOM 0 H GLY A 57 -6.387 5.066 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.918 6.797 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.243 5.719 -6.731 1.00 0.00 H new ATOM 865 N GLY A 58 -8.096 5.713 -4.042 1.00 0.00 N ATOM 866 CA GLY A 58 -8.107 6.147 -2.660 1.00 0.00 C ATOM 867 C GLY A 58 -8.400 5.021 -1.693 1.00 0.00 C ATOM 868 O GLY A 58 -9.093 4.064 -2.029 1.00 0.00 O ATOM 0 H GLY A 58 -7.935 4.715 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.141 6.588 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.855 6.930 -2.536 1.00 0.00 H new ATOM 872 N LEU A 59 -7.858 5.142 -0.491 1.00 0.00 N ATOM 873 CA LEU A 59 -8.041 4.142 0.550 1.00 0.00 C ATOM 874 C LEU A 59 -9.519 3.977 0.895 1.00 0.00 C ATOM 875 O LEU A 59 -10.070 2.880 0.805 1.00 0.00 O ATOM 876 CB LEU A 59 -7.260 4.605 1.775 1.00 0.00 C ATOM 877 CG LEU A 59 -7.736 4.084 3.129 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.568 3.971 4.095 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.808 5.009 3.686 1.00 0.00 C ATOM 0 H LEU A 59 -7.280 5.934 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.679 3.173 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.218 4.312 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.284 5.694 1.802 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.163 3.090 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.925 3.598 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.827 3.281 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.114 4.952 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.146 4.634 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.396 6.011 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.651 5.045 2.996 1.00 0.00 H new ATOM 891 N GLU A 60 -10.162 5.084 1.250 1.00 0.00 N ATOM 892 CA GLU A 60 -11.589 5.076 1.531 1.00 0.00 C ATOM 893 C GLU A 60 -12.338 4.946 0.218 1.00 0.00 C ATOM 894 O GLU A 60 -13.383 4.301 0.132 1.00 0.00 O ATOM 895 CB GLU A 60 -12.004 6.358 2.255 1.00 0.00 C ATOM 896 CG GLU A 60 -11.748 7.621 1.448 1.00 0.00 C ATOM 897 CD GLU A 60 -11.517 8.837 2.324 1.00 0.00 C ATOM 898 OE1 GLU A 60 -12.247 8.995 3.325 1.00 0.00 O ATOM 899 OE2 GLU A 60 -10.608 9.632 2.007 1.00 0.00 O ATOM 0 H GLU A 60 -9.716 5.996 1.349 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.829 4.234 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.065 6.301 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.463 6.424 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.879 7.469 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.598 7.807 0.792 1.00 0.00 H new ATOM 906 N ALA A 61 -11.746 5.532 -0.814 1.00 0.00 N ATOM 907 CA ALA A 61 -12.270 5.454 -2.160 1.00 0.00 C ATOM 908 C ALA A 61 -12.340 3.995 -2.606 1.00 0.00 C ATOM 909 O ALA A 61 -13.201 3.614 -3.400 1.00 0.00 O ATOM 910 CB ALA A 61 -11.385 6.278 -3.081 1.00 0.00 C ATOM 0 H ALA A 61 -10.886 6.075 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.282 5.858 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.771 6.226 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.379 7.316 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.369 5.884 -3.058 1.00 0.00 H new ATOM 916 N VAL A 62 -11.447 3.176 -2.048 1.00 0.00 N ATOM 917 CA VAL A 62 -11.433 1.743 -2.323 1.00 0.00 C ATOM 918 C VAL A 62 -12.499 1.051 -1.476 1.00 0.00 C ATOM 919 O VAL A 62 -13.193 0.150 -1.945 1.00 0.00 O ATOM 920 CB VAL A 62 -10.040 1.124 -2.032 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.090 -0.402 -2.010 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.024 1.604 -3.057 1.00 0.00 C ATOM 0 H VAL A 62 -10.722 3.485 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.649 1.595 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.733 1.457 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.095 -0.796 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.780 -0.732 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.431 -0.769 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.052 1.162 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.345 1.305 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.947 2.690 -3.012 1.00 0.00 H new ATOM 932 N ARG A 63 -12.626 1.493 -0.227 1.00 0.00 N ATOM 933 CA ARG A 63 -13.620 0.941 0.681 1.00 0.00 C ATOM 934 C ARG A 63 -14.996 0.959 0.029 1.00 0.00 C ATOM 935 O ARG A 63 -15.832 0.094 0.290 1.00 0.00 O ATOM 936 CB ARG A 63 -13.647 1.740 1.985 1.00 0.00 C ATOM 937 CG ARG A 63 -14.740 1.301 2.942 1.00 0.00 C ATOM 938 CD ARG A 63 -14.413 1.685 4.377 1.00 0.00 C ATOM 939 NE ARG A 63 -15.378 1.132 5.323 1.00 0.00 N ATOM 940 CZ ARG A 63 -16.559 1.686 5.580 1.00 0.00 C ATOM 941 NH1 ARG A 63 -16.918 2.804 4.965 1.00 0.00 N ATOM 942 NH2 ARG A 63 -17.381 1.121 6.455 1.00 0.00 N ATOM 0 H ARG A 63 -12.051 2.233 0.177 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.351 -0.091 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.681 1.644 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.782 2.796 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.686 1.757 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.872 0.221 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.414 1.330 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.398 2.771 4.467 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.132 0.272 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.288 3.241 4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.825 3.227 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.107 0.261 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.287 1.546 6.652 1.00 0.00 H new ATOM 956 N GLN A 64 -15.214 1.943 -0.838 1.00 0.00 N ATOM 957 CA GLN A 64 -16.480 2.070 -1.548 1.00 0.00 C ATOM 958 C GLN A 64 -16.752 0.830 -2.394 1.00 0.00 C ATOM 959 O GLN A 64 -17.889 0.367 -2.489 1.00 0.00 O ATOM 960 CB GLN A 64 -16.462 3.315 -2.437 1.00 0.00 C ATOM 961 CG GLN A 64 -17.046 4.549 -1.769 1.00 0.00 C ATOM 962 CD GLN A 64 -16.286 5.814 -2.113 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.373 6.320 -3.231 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.535 6.334 -1.147 1.00 0.00 N ATOM 0 H GLN A 64 -14.529 2.664 -1.065 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.278 2.168 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.434 3.525 -2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.021 3.108 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.087 4.662 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.041 4.409 -0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.492 5.881 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.002 7.186 -1.319 1.00 0.00 H new ATOM 973 N GLU A 65 -15.699 0.298 -3.009 1.00 0.00 N ATOM 974 CA GLU A 65 -15.818 -0.893 -3.842 1.00 0.00 C ATOM 975 C GLU A 65 -15.738 -2.159 -2.995 1.00 0.00 C ATOM 976 O GLU A 65 -16.400 -3.155 -3.283 1.00 0.00 O ATOM 977 CB GLU A 65 -14.719 -0.908 -4.907 1.00 0.00 C ATOM 978 CG GLU A 65 -14.731 -2.154 -5.777 1.00 0.00 C ATOM 979 CD GLU A 65 -14.886 -1.835 -7.250 1.00 0.00 C ATOM 980 OE1 GLU A 65 -14.188 -0.921 -7.736 1.00 0.00 O ATOM 981 OE2 GLU A 65 -15.707 -2.498 -7.919 1.00 0.00 O ATOM 0 H GLU A 65 -14.753 0.674 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.791 -0.867 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.829 -0.030 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.749 -0.827 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.805 -2.708 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.547 -2.805 -5.462 1.00 0.00 H new ATOM 988 N MET A 66 -14.920 -2.110 -1.948 1.00 0.00 N ATOM 989 CA MET A 66 -14.752 -3.250 -1.054 1.00 0.00 C ATOM 990 C MET A 66 -16.073 -3.617 -0.387 1.00 0.00 C ATOM 991 O MET A 66 -16.349 -4.789 -0.133 1.00 0.00 O ATOM 992 CB MET A 66 -13.700 -2.936 0.011 1.00 0.00 C ATOM 993 CG MET A 66 -12.403 -3.709 -0.166 1.00 0.00 C ATOM 994 SD MET A 66 -12.006 -4.733 1.264 1.00 0.00 S ATOM 995 CE MET A 66 -10.743 -5.801 0.576 1.00 0.00 C ATOM 0 H MET A 66 -14.363 -1.293 -1.698 1.00 0.00 H new ATOM 0 HA MET A 66 -14.417 -4.101 -1.648 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.482 -1.868 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.114 -3.158 0.995 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.479 -4.341 -1.051 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.588 -3.008 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.097 -6.832 0.580 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.527 -5.496 -0.448 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.836 -5.726 1.176 1.00 0.00 H new ATOM 1005 N ARG A 67 -16.888 -2.604 -0.107 1.00 0.00 N ATOM 1006 CA ARG A 67 -18.180 -2.818 0.532 1.00 0.00 C ATOM 1007 C ARG A 67 -19.123 -3.588 -0.388 1.00 0.00 C ATOM 1008 O ARG A 67 -19.972 -4.351 0.075 1.00 0.00 O ATOM 1009 CB ARG A 67 -18.808 -1.478 0.918 1.00 0.00 C ATOM 1010 CG ARG A 67 -19.185 -1.383 2.388 1.00 0.00 C ATOM 1011 CD ARG A 67 -20.138 -2.496 2.792 1.00 0.00 C ATOM 1012 NE ARG A 67 -21.496 -2.251 2.317 1.00 0.00 N ATOM 1013 CZ ARG A 67 -22.483 -3.136 2.419 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -22.261 -4.317 2.979 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -23.691 -2.839 1.961 1.00 0.00 N ATOM 0 H ARG A 67 -16.676 -1.628 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.018 -3.410 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.109 -0.676 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.699 -1.316 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.284 -1.434 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.649 -0.416 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.779 -3.444 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.145 -2.591 3.878 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.699 -1.351 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.332 -4.547 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.019 -4.995 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.864 -1.931 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.448 -3.519 2.040 1.00 0.00 H new ATOM 1029 N ARG A 68 -18.970 -3.382 -1.692 1.00 0.00 N ATOM 1030 CA ARG A 68 -19.807 -4.059 -2.676 1.00 0.00 C ATOM 1031 C ARG A 68 -19.228 -5.422 -3.038 1.00 0.00 C ATOM 1032 O ARG A 68 -19.817 -6.459 -2.728 1.00 0.00 O ATOM 1033 CB ARG A 68 -19.946 -3.201 -3.936 1.00 0.00 C ATOM 1034 CG ARG A 68 -21.191 -2.329 -3.943 1.00 0.00 C ATOM 1035 CD ARG A 68 -20.837 -0.852 -4.004 1.00 0.00 C ATOM 1036 NE ARG A 68 -21.983 -0.002 -3.695 1.00 0.00 N ATOM 1037 CZ ARG A 68 -21.875 1.266 -3.313 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -20.680 1.827 -3.195 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -22.965 1.975 -3.048 1.00 0.00 N ATOM 0 H ARG A 68 -18.275 -2.752 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.793 -4.208 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.066 -2.565 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.964 -3.853 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.815 -2.590 -4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.780 -2.526 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.031 -0.643 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.463 -0.609 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.917 -0.403 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.840 1.285 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -20.600 2.801 -2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -23.886 1.547 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.881 2.948 -2.755 1.00 0.00 H new ATOM 1053 N GLN A 69 -18.073 -5.414 -3.695 1.00 0.00 N ATOM 1054 CA GLN A 69 -17.415 -6.651 -4.097 1.00 0.00 C ATOM 1055 C GLN A 69 -18.368 -7.543 -4.885 1.00 0.00 C ATOM 1056 O GLN A 69 -18.741 -8.625 -4.431 1.00 0.00 O ATOM 1057 CB GLN A 69 -16.897 -7.401 -2.868 1.00 0.00 C ATOM 1058 CG GLN A 69 -15.927 -8.523 -3.202 1.00 0.00 C ATOM 1059 CD GLN A 69 -14.490 -8.047 -3.278 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -13.788 -7.991 -2.268 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -14.044 -7.701 -4.479 1.00 0.00 N ATOM 0 H GLN A 69 -17.574 -4.565 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 69 -16.573 -6.392 -4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.404 -6.693 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -17.745 -7.816 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.008 -9.305 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.209 -8.970 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.660 -7.763 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.085 -7.373 -4.592 1.00 0.00 H new ATOM 1070 N GLY A 70 -18.760 -7.082 -6.068 1.00 0.00 N ATOM 1071 CA GLY A 70 -19.667 -7.850 -6.900 1.00 0.00 C ATOM 1072 C GLY A 70 -21.122 -7.550 -6.601 1.00 0.00 C ATOM 1073 O GLY A 70 -21.504 -7.382 -5.444 1.00 0.00 O ATOM 0 H GLY A 70 -18.466 -6.190 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.463 -7.635 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.480 -8.913 -6.750 1.00 0.00 H new ATOM 1077 N GLY A 71 -21.938 -7.483 -7.649 1.00 0.00 N ATOM 1078 CA GLY A 71 -23.350 -7.202 -7.474 1.00 0.00 C ATOM 1079 C GLY A 71 -24.117 -8.390 -6.926 1.00 0.00 C ATOM 1080 O GLY A 71 -23.702 -9.004 -5.943 1.00 0.00 O ATOM 0 H GLY A 71 -21.645 -7.619 -8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -23.467 -6.355 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -23.779 -6.907 -8.431 1.00 0.00 H new ATOM 1084 N SER A 72 -25.238 -8.712 -7.562 1.00 0.00 N ATOM 1085 CA SER A 72 -26.065 -9.832 -7.132 1.00 0.00 C ATOM 1086 C SER A 72 -26.433 -10.724 -8.312 1.00 0.00 C ATOM 1087 O SER A 72 -27.554 -11.224 -8.400 1.00 0.00 O ATOM 1088 CB SER A 72 -27.335 -9.319 -6.451 1.00 0.00 C ATOM 1089 OG SER A 72 -27.931 -10.328 -5.654 1.00 0.00 O ATOM 0 H SER A 72 -25.594 -8.213 -8.377 1.00 0.00 H new ATOM 0 HA SER A 72 -25.490 -10.424 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 72 -27.095 -8.456 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 72 -28.045 -8.981 -7.206 1.00 0.00 H new ATOM 0 HG SER A 72 -28.079 -11.130 -6.198 1.00 0.00 H new ATOM 1095 N GLY A 73 -25.481 -10.919 -9.219 1.00 0.00 N ATOM 1096 CA GLY A 73 -25.726 -11.750 -10.383 1.00 0.00 C ATOM 1097 C GLY A 73 -24.445 -12.184 -11.068 1.00 0.00 C ATOM 1098 O GLY A 73 -24.402 -12.316 -12.291 1.00 0.00 O ATOM 0 H GLY A 73 -24.545 -10.517 -9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -26.290 -12.633 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -26.346 -11.202 -11.093 1.00 0.00 H new ATOM 1102 N GLY A 74 -23.400 -12.407 -10.278 1.00 0.00 N ATOM 1103 CA GLY A 74 -22.128 -12.829 -10.835 1.00 0.00 C ATOM 1104 C GLY A 74 -20.977 -11.952 -10.385 1.00 0.00 C ATOM 1105 O GLY A 74 -20.946 -11.494 -9.242 1.00 0.00 O ATOM 0 H GLY A 74 -23.411 -12.303 -9.263 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -21.931 -13.860 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -22.189 -12.813 -11.923 1.00 0.00 H new ATOM 1109 N SER A 75 -20.027 -11.717 -11.285 1.00 0.00 N ATOM 1110 CA SER A 75 -18.867 -10.892 -10.976 1.00 0.00 C ATOM 1111 C SER A 75 -17.942 -11.600 -9.991 1.00 0.00 C ATOM 1112 O SER A 75 -17.532 -11.022 -8.985 1.00 0.00 O ATOM 1113 CB SER A 75 -19.311 -9.547 -10.396 1.00 0.00 C ATOM 1114 OG SER A 75 -20.556 -9.144 -10.941 1.00 0.00 O ATOM 0 H SER A 75 -20.039 -12.087 -12.235 1.00 0.00 H new ATOM 0 HA SER A 75 -18.320 -10.719 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 75 -19.393 -9.624 -9.312 1.00 0.00 H new ATOM 0 HB3 SER A 75 -18.556 -8.789 -10.606 1.00 0.00 H new ATOM 0 HG SER A 75 -20.819 -8.283 -10.554 1.00 0.00 H new ATOM 1120 N GLN A 76 -17.621 -12.856 -10.286 1.00 0.00 N ATOM 1121 CA GLN A 76 -16.744 -13.641 -9.427 1.00 0.00 C ATOM 1122 C GLN A 76 -15.351 -13.027 -9.363 1.00 0.00 C ATOM 1123 O GLN A 76 -14.645 -12.962 -10.369 1.00 0.00 O ATOM 1124 CB GLN A 76 -16.656 -15.083 -9.933 1.00 0.00 C ATOM 1125 CG GLN A 76 -17.759 -15.982 -9.399 1.00 0.00 C ATOM 1126 CD GLN A 76 -19.121 -15.632 -9.964 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -19.924 -14.964 -9.311 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -19.389 -16.080 -11.185 1.00 0.00 N ATOM 0 H GLN A 76 -17.955 -13.351 -11.113 1.00 0.00 H new ATOM 0 HA GLN A 76 -17.167 -13.641 -8.422 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -16.696 -15.080 -11.022 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -15.689 -15.500 -9.650 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -17.526 -17.019 -9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -17.790 -15.906 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -18.694 -16.630 -11.690 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -20.289 -15.874 -11.618 1.00 0.00 H new ATOM 1137 N SER A 77 -14.963 -12.575 -8.176 1.00 0.00 N ATOM 1138 CA SER A 77 -13.654 -11.962 -7.981 1.00 0.00 C ATOM 1139 C SER A 77 -13.175 -12.145 -6.546 1.00 0.00 C ATOM 1140 O SER A 77 -13.930 -11.936 -5.597 1.00 0.00 O ATOM 1141 CB SER A 77 -13.710 -10.473 -8.326 1.00 0.00 C ATOM 1142 OG SER A 77 -15.047 -10.037 -8.495 1.00 0.00 O ATOM 0 H SER A 77 -15.536 -12.621 -7.334 1.00 0.00 H new ATOM 0 HA SER A 77 -12.946 -12.457 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.234 -9.895 -7.534 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.146 -10.287 -9.240 1.00 0.00 H new ATOM 0 HG SER A 77 -15.054 -9.082 -8.713 1.00 0.00 H new ATOM 1148 N SER A 78 -11.914 -12.537 -6.395 1.00 0.00 N ATOM 1149 CA SER A 78 -11.333 -12.748 -5.075 1.00 0.00 C ATOM 1150 C SER A 78 -10.117 -11.851 -4.863 1.00 0.00 C ATOM 1151 O SER A 78 -10.079 -11.052 -3.929 1.00 0.00 O ATOM 1152 CB SER A 78 -10.935 -14.215 -4.901 1.00 0.00 C ATOM 1153 OG SER A 78 -10.795 -14.857 -6.157 1.00 0.00 O ATOM 0 H SER A 78 -11.276 -12.715 -7.170 1.00 0.00 H new ATOM 0 HA SER A 78 -12.085 -12.490 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.997 -14.278 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.689 -14.732 -4.307 1.00 0.00 H new ATOM 0 HG SER A 78 -10.539 -15.793 -6.019 1.00 0.00 H new ATOM 1159 N GLU A 79 -9.125 -11.993 -5.736 1.00 0.00 N ATOM 1160 CA GLU A 79 -7.906 -11.200 -5.640 1.00 0.00 C ATOM 1161 C GLU A 79 -7.939 -10.025 -6.611 1.00 0.00 C ATOM 1162 O GLU A 79 -6.909 -9.630 -7.158 1.00 0.00 O ATOM 1163 CB GLU A 79 -6.682 -12.074 -5.923 1.00 0.00 C ATOM 1164 CG GLU A 79 -6.817 -12.920 -7.178 1.00 0.00 C ATOM 1165 CD GLU A 79 -5.486 -13.468 -7.657 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -4.445 -12.851 -7.348 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -5.486 -14.514 -8.339 1.00 0.00 O ATOM 0 H GLU A 79 -9.142 -12.649 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.839 -10.806 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.804 -11.435 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.509 -12.730 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.498 -13.748 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.265 -12.320 -7.970 1.00 0.00 H new ATOM 1174 N GLY A 80 -9.128 -9.468 -6.821 1.00 0.00 N ATOM 1175 CA GLY A 80 -9.269 -8.339 -7.722 1.00 0.00 C ATOM 1176 C GLY A 80 -8.324 -7.206 -7.379 1.00 0.00 C ATOM 1177 O GLY A 80 -7.131 -7.272 -7.674 1.00 0.00 O ATOM 0 H GLY A 80 -9.996 -9.778 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.082 -8.668 -8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.296 -7.975 -7.687 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.855 -6.164 -6.749 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.045 -5.016 -6.357 1.00 0.00 C ATOM 1183 C LEU A 81 -6.948 -5.435 -5.385 1.00 0.00 C ATOM 1184 O LEU A 81 -5.866 -4.848 -5.363 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.925 -3.938 -5.720 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.418 -4.255 -4.308 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.894 -2.988 -3.613 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.530 -5.291 -4.353 1.00 0.00 C ATOM 0 H LEU A 81 -9.841 -6.090 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.576 -4.608 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.365 -3.003 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.790 -3.771 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.587 -4.668 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.241 -3.232 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.070 -2.277 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.712 -2.546 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.869 -5.505 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.363 -4.905 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.156 -6.207 -4.811 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.230 -6.461 -4.588 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.262 -6.968 -3.621 1.00 0.00 C ATOM 1202 C VAL A 82 -5.019 -7.505 -4.323 1.00 0.00 C ATOM 1203 O VAL A 82 -3.892 -7.216 -3.918 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.867 -8.084 -2.748 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.861 -8.550 -1.706 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.150 -7.607 -2.087 1.00 0.00 C ATOM 0 H VAL A 82 -8.121 -6.958 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.985 -6.130 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.110 -8.932 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.305 -9.338 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.972 -8.934 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.584 -7.712 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.563 -8.408 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.936 -6.743 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.872 -7.327 -2.854 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.231 -8.282 -5.380 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.118 -8.838 -6.126 1.00 0.00 C ATOM 1218 C GLY A 83 -3.161 -7.769 -6.613 1.00 0.00 C ATOM 1219 O GLY A 83 -1.944 -7.953 -6.584 1.00 0.00 O ATOM 0 H GLY A 83 -6.154 -8.536 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.579 -9.546 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.499 -9.398 -6.980 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.713 -6.644 -7.059 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.899 -5.536 -7.544 1.00 0.00 C ATOM 1225 C ALA A 84 -1.843 -5.149 -6.515 1.00 0.00 C ATOM 1226 O ALA A 84 -0.705 -4.840 -6.866 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.780 -4.342 -7.878 1.00 0.00 C ATOM 0 H ALA A 84 -4.719 -6.477 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.387 -5.857 -8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.160 -3.522 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.496 -4.623 -8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.317 -4.025 -6.984 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.230 -5.176 -5.244 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.315 -4.839 -4.160 1.00 0.00 C ATOM 1235 C LEU A 85 -0.254 -5.922 -3.998 1.00 0.00 C ATOM 1236 O LEU A 85 0.893 -5.636 -3.653 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.087 -4.661 -2.850 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.221 -4.579 -1.593 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.071 -3.610 -1.800 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.059 -4.168 -0.392 1.00 0.00 C ATOM 0 H LEU A 85 -3.170 -5.428 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.819 -3.901 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.686 -3.753 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.782 -5.493 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.805 -5.567 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.534 -3.565 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.546 -3.950 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.466 -2.619 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.425 -4.115 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.506 -3.191 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.848 -4.903 -0.230 1.00 0.00 H new ATOM 1252 N MET A 86 -0.645 -7.165 -4.254 1.00 0.00 N ATOM 1253 CA MET A 86 0.274 -8.291 -4.147 1.00 0.00 C ATOM 1254 C MET A 86 1.458 -8.113 -5.089 1.00 0.00 C ATOM 1255 O MET A 86 2.599 -8.408 -4.733 1.00 0.00 O ATOM 1256 CB MET A 86 -0.453 -9.599 -4.463 1.00 0.00 C ATOM 1257 CG MET A 86 -1.538 -9.949 -3.457 1.00 0.00 C ATOM 1258 SD MET A 86 -2.411 -11.470 -3.876 1.00 0.00 S ATOM 1259 CE MET A 86 -4.081 -11.049 -3.387 1.00 0.00 C ATOM 0 H MET A 86 -1.592 -7.418 -4.537 1.00 0.00 H new ATOM 0 HA MET A 86 0.648 -8.330 -3.124 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.898 -9.527 -5.455 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.274 -10.410 -4.498 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.091 -10.052 -2.468 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.253 -9.128 -3.400 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.785 -11.712 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.183 -11.162 -2.308 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.292 -10.017 -3.666 1.00 0.00 H new ATOM 1269 N HIS A 87 1.179 -7.622 -6.293 1.00 0.00 N ATOM 1270 CA HIS A 87 2.223 -7.391 -7.284 1.00 0.00 C ATOM 1271 C HIS A 87 3.195 -6.320 -6.803 1.00 0.00 C ATOM 1272 O HIS A 87 4.408 -6.522 -6.806 1.00 0.00 O ATOM 1273 CB HIS A 87 1.604 -6.974 -8.620 1.00 0.00 C ATOM 1274 CG HIS A 87 2.469 -7.283 -9.802 1.00 0.00 C ATOM 1275 ND1 HIS A 87 2.091 -7.020 -11.103 1.00 0.00 N ATOM 1276 CD2 HIS A 87 3.701 -7.840 -9.877 1.00 0.00 C ATOM 1277 CE1 HIS A 87 3.053 -7.400 -11.925 1.00 0.00 C ATOM 1278 NE2 HIS A 87 4.040 -7.901 -11.206 1.00 0.00 N ATOM 0 H HIS A 87 0.239 -7.377 -6.605 1.00 0.00 H new ATOM 0 HA HIS A 87 2.773 -8.322 -7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.645 -7.478 -8.740 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.401 -5.903 -8.599 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.305 -8.174 -9.046 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.035 -7.315 -13.002 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.914 -8.273 -11.578 1.00 0.00 H new ATOM 1287 N VAL A 88 2.650 -5.182 -6.382 1.00 0.00 N ATOM 1288 CA VAL A 88 3.468 -4.083 -5.888 1.00 0.00 C ATOM 1289 C VAL A 88 4.368 -4.545 -4.747 1.00 0.00 C ATOM 1290 O VAL A 88 5.423 -3.961 -4.499 1.00 0.00 O ATOM 1291 CB VAL A 88 2.599 -2.909 -5.400 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.473 -1.765 -4.908 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.666 -2.440 -6.505 1.00 0.00 C ATOM 0 H VAL A 88 1.647 -4.999 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 88 4.083 -3.744 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 88 1.990 -3.255 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.841 -0.945 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.095 -2.111 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.110 -1.418 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.060 -1.610 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.254 -2.112 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.015 -3.261 -6.804 1.00 0.00 H new ATOM 1303 N MET A 89 3.942 -5.595 -4.051 1.00 0.00 N ATOM 1304 CA MET A 89 4.714 -6.141 -2.943 1.00 0.00 C ATOM 1305 C MET A 89 5.851 -7.012 -3.459 1.00 0.00 C ATOM 1306 O MET A 89 6.895 -7.136 -2.819 1.00 0.00 O ATOM 1307 CB MET A 89 3.811 -6.958 -2.015 1.00 0.00 C ATOM 1308 CG MET A 89 3.325 -6.182 -0.801 1.00 0.00 C ATOM 1309 SD MET A 89 4.680 -5.572 0.221 1.00 0.00 S ATOM 1310 CE MET A 89 4.819 -3.888 -0.373 1.00 0.00 C ATOM 0 H MET A 89 3.066 -6.084 -4.236 1.00 0.00 H new ATOM 0 HA MET A 89 5.139 -5.309 -2.381 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.948 -7.311 -2.580 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.354 -7.841 -1.678 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.717 -5.340 -1.132 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.681 -6.823 -0.199 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.933 -3.212 0.474 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.688 -3.803 -1.025 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.920 -3.623 -0.930 1.00 0.00 H new ATOM 1320 N GLN A 90 5.641 -7.612 -4.626 1.00 0.00 N ATOM 1321 CA GLN A 90 6.651 -8.466 -5.238 1.00 0.00 C ATOM 1322 C GLN A 90 7.802 -7.630 -5.785 1.00 0.00 C ATOM 1323 O GLN A 90 8.956 -8.061 -5.773 1.00 0.00 O ATOM 1324 CB GLN A 90 6.030 -9.300 -6.361 1.00 0.00 C ATOM 1325 CG GLN A 90 5.230 -10.491 -5.861 1.00 0.00 C ATOM 1326 CD GLN A 90 6.026 -11.780 -5.887 1.00 0.00 C ATOM 1327 OE1 GLN A 90 5.920 -12.571 -6.825 1.00 0.00 O ATOM 1328 NE2 GLN A 90 6.828 -12.000 -4.852 1.00 0.00 N ATOM 0 H GLN A 90 4.781 -7.522 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 90 7.042 -9.137 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.380 -8.662 -6.960 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.823 -9.656 -7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.894 -10.296 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.337 -10.607 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.885 -11.317 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.387 -12.852 -4.812 1.00 0.00 H new ATOM 1337 N LYS A 91 7.480 -6.432 -6.259 1.00 0.00 N ATOM 1338 CA LYS A 91 8.486 -5.529 -6.801 1.00 0.00 C ATOM 1339 C LYS A 91 9.572 -5.246 -5.770 1.00 0.00 C ATOM 1340 O LYS A 91 10.728 -5.012 -6.118 1.00 0.00 O ATOM 1341 CB LYS A 91 7.836 -4.216 -7.247 1.00 0.00 C ATOM 1342 CG LYS A 91 8.436 -3.641 -8.519 1.00 0.00 C ATOM 1343 CD LYS A 91 7.970 -4.404 -9.750 1.00 0.00 C ATOM 1344 CE LYS A 91 7.472 -3.463 -10.835 1.00 0.00 C ATOM 1345 NZ LYS A 91 6.144 -2.880 -10.498 1.00 0.00 N ATOM 0 H LYS A 91 6.529 -6.064 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 91 8.945 -6.011 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.770 -4.382 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.932 -3.483 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.156 -2.592 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.524 -3.677 -8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.791 -5.006 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.173 -5.094 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.195 -2.660 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.402 -4.002 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.840 -2.244 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.448 -3.644 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.216 -2.344 -9.610 1.00 0.00 H new ATOM 1359 N ARG A 92 9.190 -5.270 -4.498 1.00 0.00 N ATOM 1360 CA ARG A 92 10.133 -5.023 -3.413 1.00 0.00 C ATOM 1361 C ARG A 92 10.904 -6.292 -3.069 1.00 0.00 C ATOM 1362 O ARG A 92 12.133 -6.282 -2.994 1.00 0.00 O ATOM 1363 CB ARG A 92 9.393 -4.509 -2.175 1.00 0.00 C ATOM 1364 CG ARG A 92 9.790 -3.098 -1.773 1.00 0.00 C ATOM 1365 CD ARG A 92 11.115 -3.082 -1.026 1.00 0.00 C ATOM 1366 NE ARG A 92 10.930 -2.908 0.411 1.00 0.00 N ATOM 1367 CZ ARG A 92 11.901 -3.072 1.305 1.00 0.00 C ATOM 1368 NH1 ARG A 92 13.118 -3.414 0.909 1.00 0.00 N ATOM 1369 NH2 ARG A 92 11.653 -2.894 2.596 1.00 0.00 N ATOM 0 H ARG A 92 8.235 -5.458 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 92 10.843 -4.265 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.320 -4.536 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.585 -5.184 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.865 -2.473 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.012 -2.665 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.648 -4.014 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.739 -2.276 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 92 10.004 -2.646 0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.312 -3.552 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.861 -3.539 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.717 -2.631 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.398 -3.020 3.281 1.00 0.00 H new ATOM 1383 N SER A 93 10.175 -7.384 -2.867 1.00 0.00 N ATOM 1384 CA SER A 93 10.791 -8.662 -2.536 1.00 0.00 C ATOM 1385 C SER A 93 11.799 -9.074 -3.604 1.00 0.00 C ATOM 1386 O SER A 93 12.865 -9.605 -3.293 1.00 0.00 O ATOM 1387 CB SER A 93 9.720 -9.745 -2.387 1.00 0.00 C ATOM 1388 OG SER A 93 10.229 -10.877 -1.704 1.00 0.00 O ATOM 0 H SER A 93 9.157 -7.409 -2.927 1.00 0.00 H new ATOM 0 HA SER A 93 11.318 -8.547 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.865 -9.343 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.360 -10.042 -3.372 1.00 0.00 H new ATOM 0 HG SER A 93 9.524 -11.553 -1.621 1.00 0.00 H new ATOM 1394 N ARG A 94 11.455 -8.825 -4.864 1.00 0.00 N ATOM 1395 CA ARG A 94 12.331 -9.169 -5.977 1.00 0.00 C ATOM 1396 C ARG A 94 13.186 -7.976 -6.389 1.00 0.00 C ATOM 1397 O ARG A 94 14.414 -8.052 -6.392 1.00 0.00 O ATOM 1398 CB ARG A 94 11.508 -9.657 -7.170 1.00 0.00 C ATOM 1399 CG ARG A 94 10.939 -11.054 -6.988 1.00 0.00 C ATOM 1400 CD ARG A 94 11.919 -12.121 -7.448 1.00 0.00 C ATOM 1401 NE ARG A 94 11.238 -13.287 -8.006 1.00 0.00 N ATOM 1402 CZ ARG A 94 11.815 -14.473 -8.163 1.00 0.00 C ATOM 1403 NH1 ARG A 94 13.079 -14.651 -7.803 1.00 0.00 N ATOM 1404 NH2 ARG A 94 11.130 -15.484 -8.677 1.00 0.00 N ATOM 0 H ARG A 94 10.576 -8.386 -5.139 1.00 0.00 H new ATOM 0 HA ARG A 94 12.993 -9.970 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.688 -8.960 -7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.134 -9.642 -8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.693 -11.213 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.010 -11.145 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.588 -11.699 -8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.538 -12.431 -6.606 1.00 0.00 H new ATOM 0 HE ARG A 94 10.264 -13.184 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.610 -13.876 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.520 -15.563 -7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.157 -15.353 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.576 -16.394 -8.796 1.00 0.00 H new ATOM 1418 N ALA A 95 12.528 -6.875 -6.740 1.00 0.00 N ATOM 1419 CA ALA A 95 13.233 -5.668 -7.157 1.00 0.00 C ATOM 1420 C ALA A 95 14.060 -5.922 -8.406 1.00 0.00 C ATOM 1421 O ALA A 95 13.635 -5.628 -9.522 1.00 0.00 O ATOM 1422 CB ALA A 95 14.108 -5.150 -6.025 1.00 0.00 C ATOM 0 H ALA A 95 11.511 -6.794 -6.744 1.00 0.00 H new ATOM 0 HA ALA A 95 12.492 -4.906 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.628 -4.249 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.485 -4.918 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.838 -5.912 -5.752 1.00 0.00 H new ATOM 1428 N ILE A 96 15.238 -6.470 -8.199 1.00 0.00 N ATOM 1429 CA ILE A 96 16.146 -6.784 -9.293 1.00 0.00 C ATOM 1430 C ILE A 96 16.458 -5.544 -10.122 1.00 0.00 C ATOM 1431 O ILE A 96 16.040 -5.435 -11.275 1.00 0.00 O ATOM 1432 CB ILE A 96 15.554 -7.864 -10.214 1.00 0.00 C ATOM 1433 CG1 ILE A 96 14.967 -9.008 -9.384 1.00 0.00 C ATOM 1434 CG2 ILE A 96 16.612 -8.385 -11.174 1.00 0.00 C ATOM 1435 CD1 ILE A 96 16.013 -9.872 -8.716 1.00 0.00 C ATOM 0 H ILE A 96 15.596 -6.711 -7.275 1.00 0.00 H new ATOM 0 HA ILE A 96 17.066 -7.159 -8.845 1.00 0.00 H new ATOM 0 HB ILE A 96 14.751 -7.417 -10.801 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.310 -8.591 -8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 96 14.349 -9.633 -10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.175 -9.148 -11.818 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.984 -7.563 -11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 96 17.437 -8.817 -10.607 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.523 -10.661 -8.146 1.00 0.00 H new ATOM 0 HD12 ILE A 96 16.655 -10.318 -9.475 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.616 -9.260 -8.045 1.00 0.00 H new ATOM 1447 N HIS A 97 17.194 -4.610 -9.528 1.00 0.00 N ATOM 1448 CA HIS A 97 17.561 -3.377 -10.214 1.00 0.00 C ATOM 1449 C HIS A 97 16.334 -2.503 -10.454 1.00 0.00 C ATOM 1450 O HIS A 97 15.249 -3.005 -10.745 1.00 0.00 O ATOM 1451 CB HIS A 97 18.242 -3.695 -11.546 1.00 0.00 C ATOM 1452 CG HIS A 97 19.728 -3.523 -11.516 1.00 0.00 C ATOM 1453 ND1 HIS A 97 20.343 -2.333 -11.192 1.00 0.00 N ATOM 1454 CD2 HIS A 97 20.726 -4.402 -11.774 1.00 0.00 C ATOM 1455 CE1 HIS A 97 21.655 -2.486 -11.251 1.00 0.00 C ATOM 1456 NE2 HIS A 97 21.912 -3.732 -11.603 1.00 0.00 N ATOM 0 H HIS A 97 17.548 -4.684 -8.574 1.00 0.00 H new ATOM 0 HA HIS A 97 18.257 -2.829 -9.579 1.00 0.00 H new ATOM 0 HB2 HIS A 97 18.009 -4.722 -11.827 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.826 -3.050 -12.320 1.00 0.00 H new ATOM 0 HD2 HIS A 97 20.610 -5.437 -12.061 1.00 0.00 H new ATOM 0 HE1 HIS A 97 22.391 -1.722 -11.046 1.00 0.00 H new ATOM 0 HE2 HIS A 97 22.842 -4.132 -11.728 1.00 0.00 H new ATOM 1465 N SER A 98 16.515 -1.193 -10.330 1.00 0.00 N ATOM 1466 CA SER A 98 15.423 -0.249 -10.537 1.00 0.00 C ATOM 1467 C SER A 98 15.114 -0.091 -12.022 1.00 0.00 C ATOM 1468 O SER A 98 13.955 0.050 -12.412 1.00 0.00 O ATOM 1469 CB SER A 98 15.776 1.110 -9.931 1.00 0.00 C ATOM 1470 OG SER A 98 14.623 1.921 -9.791 1.00 0.00 O ATOM 0 H SER A 98 17.407 -0.761 -10.087 1.00 0.00 H new ATOM 0 HA SER A 98 14.536 -0.643 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.244 0.967 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.505 1.616 -10.564 1.00 0.00 H new ATOM 0 HG SER A 98 14.875 2.784 -9.400 1.00 0.00 H new ATOM 1476 N SER A 99 16.157 -0.119 -12.844 1.00 0.00 N ATOM 1477 CA SER A 99 15.998 0.021 -14.286 1.00 0.00 C ATOM 1478 C SER A 99 15.172 -1.127 -14.858 1.00 0.00 C ATOM 1479 O SER A 99 14.398 -0.941 -15.796 1.00 0.00 O ATOM 1480 CB SER A 99 17.367 0.067 -14.969 1.00 0.00 C ATOM 1481 OG SER A 99 17.262 -0.254 -16.345 1.00 0.00 O ATOM 0 H SER A 99 17.122 -0.237 -12.536 1.00 0.00 H new ATOM 0 HA SER A 99 15.471 0.955 -14.478 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.800 1.061 -14.856 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.045 -0.633 -14.480 1.00 0.00 H new ATOM 0 HG SER A 99 17.573 0.504 -16.882 1.00 0.00 H new ATOM 1487 N ASP A 100 15.342 -2.315 -14.285 1.00 0.00 N ATOM 1488 CA ASP A 100 14.612 -3.492 -14.741 1.00 0.00 C ATOM 1489 C ASP A 100 15.054 -3.895 -16.144 1.00 0.00 C ATOM 1490 O ASP A 100 15.697 -4.928 -16.330 1.00 0.00 O ATOM 1491 CB ASP A 100 13.107 -3.219 -14.728 1.00 0.00 C ATOM 1492 CG ASP A 100 12.303 -4.427 -14.289 1.00 0.00 C ATOM 1493 OD1 ASP A 100 12.913 -5.394 -13.785 1.00 0.00 O ATOM 1494 OD2 ASP A 100 11.065 -4.406 -14.449 1.00 0.00 O ATOM 0 H ASP A 100 15.977 -2.487 -13.506 1.00 0.00 H new ATOM 0 HA ASP A 100 14.832 -4.313 -14.059 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.898 -2.384 -14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.787 -2.916 -15.725 1.00 0.00 H new ATOM 1499 N GLU A 101 14.707 -3.071 -17.127 1.00 0.00 N ATOM 1500 CA GLU A 101 15.067 -3.341 -18.514 1.00 0.00 C ATOM 1501 C GLU A 101 14.483 -2.282 -19.444 1.00 0.00 C ATOM 1502 O GLU A 101 13.276 -2.044 -19.450 1.00 0.00 O ATOM 1503 CB GLU A 101 14.573 -4.729 -18.929 1.00 0.00 C ATOM 1504 CG GLU A 101 15.662 -5.789 -18.926 1.00 0.00 C ATOM 1505 CD GLU A 101 15.243 -7.053 -18.201 1.00 0.00 C ATOM 1506 OE1 GLU A 101 14.340 -6.973 -17.342 1.00 0.00 O ATOM 1507 OE2 GLU A 101 15.819 -8.123 -18.493 1.00 0.00 O ATOM 0 H GLU A 101 14.177 -2.211 -16.989 1.00 0.00 H new ATOM 0 HA GLU A 101 16.154 -3.310 -18.594 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.775 -5.038 -18.254 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.140 -4.668 -19.927 1.00 0.00 H new ATOM 0 HG2 GLU A 101 15.927 -6.035 -19.954 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.557 -5.384 -18.454 1.00 0.00 H new ATOM 1514 N GLY A 102 15.349 -1.651 -20.229 1.00 0.00 N ATOM 1515 CA GLY A 102 14.900 -0.626 -21.155 1.00 0.00 C ATOM 1516 C GLY A 102 14.914 0.760 -20.540 1.00 0.00 C ATOM 1517 O GLY A 102 14.132 1.627 -20.931 1.00 0.00 O ATOM 0 H GLY A 102 16.353 -1.830 -20.241 1.00 0.00 H new ATOM 0 HA2 GLY A 102 15.539 -0.634 -22.038 1.00 0.00 H new ATOM 0 HA3 GLY A 102 13.890 -0.861 -21.490 1.00 0.00 H new ATOM 1521 N GLU A 103 15.806 0.972 -19.577 1.00 0.00 N ATOM 1522 CA GLU A 103 15.917 2.263 -18.909 1.00 0.00 C ATOM 1523 C GLU A 103 17.379 2.654 -18.713 1.00 0.00 C ATOM 1524 O GLU A 103 18.127 1.966 -18.018 1.00 0.00 O ATOM 1525 CB GLU A 103 15.202 2.223 -17.557 1.00 0.00 C ATOM 1526 CG GLU A 103 13.722 2.562 -17.640 1.00 0.00 C ATOM 1527 CD GLU A 103 13.464 4.055 -17.592 1.00 0.00 C ATOM 1528 OE1 GLU A 103 14.210 4.765 -16.885 1.00 0.00 O ATOM 1529 OE2 GLU A 103 12.516 4.516 -18.263 1.00 0.00 O ATOM 0 H GLU A 103 16.462 0.266 -19.242 1.00 0.00 H new ATOM 0 HA GLU A 103 15.443 3.013 -19.542 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.315 1.228 -17.125 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.689 2.922 -16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.311 2.155 -18.564 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.195 2.079 -16.817 1.00 0.00 H new ATOM 1536 N ASP A 104 17.776 3.764 -19.326 1.00 0.00 N ATOM 1537 CA ASP A 104 19.147 4.249 -19.217 1.00 0.00 C ATOM 1538 C ASP A 104 19.287 5.633 -19.843 1.00 0.00 C ATOM 1539 O ASP A 104 19.551 5.761 -21.038 1.00 0.00 O ATOM 1540 CB ASP A 104 20.113 3.273 -19.891 1.00 0.00 C ATOM 1541 CG ASP A 104 21.478 3.261 -19.231 1.00 0.00 C ATOM 1542 OD1 ASP A 104 21.573 3.673 -18.056 1.00 0.00 O ATOM 1543 OD2 ASP A 104 22.452 2.840 -19.890 1.00 0.00 O ATOM 0 H ASP A 104 17.168 4.345 -19.903 1.00 0.00 H new ATOM 0 HA ASP A 104 19.395 4.321 -18.158 1.00 0.00 H new ATOM 0 HB2 ASP A 104 19.690 2.269 -19.862 1.00 0.00 H new ATOM 0 HB3 ASP A 104 20.223 3.542 -20.941 1.00 0.00 H new ATOM 1548 N GLN A 105 19.110 6.666 -19.026 1.00 0.00 N ATOM 1549 CA GLN A 105 19.217 8.041 -19.499 1.00 0.00 C ATOM 1550 C GLN A 105 18.163 8.336 -20.561 1.00 0.00 C ATOM 1551 O GLN A 105 18.146 7.714 -21.624 1.00 0.00 O ATOM 1552 CB GLN A 105 20.613 8.299 -20.067 1.00 0.00 C ATOM 1553 CG GLN A 105 20.941 9.774 -20.229 1.00 0.00 C ATOM 1554 CD GLN A 105 21.383 10.420 -18.931 1.00 0.00 C ATOM 1555 OE1 GLN A 105 20.559 10.872 -18.136 1.00 0.00 O ATOM 1556 NE2 GLN A 105 22.692 10.467 -18.709 1.00 0.00 N ATOM 0 H GLN A 105 18.892 6.577 -18.034 1.00 0.00 H new ATOM 0 HA GLN A 105 19.048 8.704 -18.651 1.00 0.00 H new ATOM 0 HB2 GLN A 105 21.353 7.841 -19.411 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.698 7.808 -21.036 1.00 0.00 H new ATOM 0 HG2 GLN A 105 21.729 9.887 -20.973 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.064 10.297 -20.611 1.00 0.00 H new ATOM 0 HE21 GLN A 105 23.340 10.080 -19.395 1.00 0.00 H new ATOM 0 HE22 GLN A 105 23.049 10.890 -17.852 1.00 0.00 H new ATOM 1565 N ALA A 106 17.285 9.290 -20.266 1.00 0.00 N ATOM 1566 CA ALA A 106 16.230 9.671 -21.197 1.00 0.00 C ATOM 1567 C ALA A 106 16.792 10.486 -22.356 1.00 0.00 C ATOM 1568 O ALA A 106 17.615 11.380 -22.158 1.00 0.00 O ATOM 1569 CB ALA A 106 15.145 10.455 -20.474 1.00 0.00 C ATOM 0 H ALA A 106 17.284 9.813 -19.390 1.00 0.00 H new ATOM 0 HA ALA A 106 15.792 8.760 -21.605 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.364 10.733 -21.182 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.716 9.839 -19.684 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.576 11.356 -20.038 1.00 0.00 H new ATOM 1575 N GLY A 107 16.342 10.174 -23.566 1.00 0.00 N ATOM 1576 CA GLY A 107 16.811 10.889 -24.739 1.00 0.00 C ATOM 1577 C GLY A 107 15.902 12.041 -25.116 1.00 0.00 C ATOM 1578 O GLY A 107 16.248 12.788 -26.055 1.00 0.00 O ATOM 1579 OXT GLY A 107 14.841 12.196 -24.473 1.00 0.00 O ATOM 0 H GLY A 107 15.661 9.439 -23.756 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.815 11.269 -24.552 1.00 0.00 H new ATOM 0 HA3 GLY A 107 16.883 10.197 -25.578 1.00 0.00 H new TER 1583 GLY A 107 HETATM 1584 C0 WSK A 108 -1.390 5.431 0.643 1.00 20.00 C HETATM 1585 N0 WSK A 108 -4.750 7.649 -0.769 1.00 20.00 N HETATM 1586 O0 WSK A 108 -3.197 9.216 -3.057 1.00 20.00 O HETATM 1587 C1 WSK A 108 -1.349 5.806 -0.789 1.00 20.00 C HETATM 1588 N1 WSK A 108 -4.506 10.793 -4.591 1.00 20.00 N HETATM 1589 C2 WSK A 108 -2.431 6.552 -1.393 1.00 20.00 C HETATM 1590 C3 WSK A 108 -3.574 6.932 -0.546 1.00 20.00 C HETATM 1591 C4 WSK A 108 -3.591 6.568 0.867 1.00 20.00 C HETATM 1592 C5 WSK A 108 -2.494 5.802 1.460 1.00 20.00 C HETATM 1593 C6 WSK A 108 -4.795 7.078 1.441 1.00 20.00 C HETATM 1594 C7 WSK A 108 -5.538 7.763 0.385 1.00 20.00 C HETATM 1595 C8 WSK A 108 -6.839 8.391 0.679 1.00 20.00 C HETATM 1596 C9 WSK A 108 -7.341 8.317 2.031 1.00 20.00 C HETATM 1597 C10 WSK A 108 -6.590 7.627 3.094 1.00 20.00 C HETATM 1598 C11 WSK A 108 -5.318 7.002 2.815 1.00 20.00 C HETATM 1599 C12 WSK A 108 -5.153 8.191 -2.085 1.00 20.00 C HETATM 1600 C13 WSK A 108 -4.473 9.488 -2.365 1.00 20.00 C HETATM 1601 C14 WSK A 108 -5.323 10.305 -3.482 1.00 20.00 C HETATM 1602 C15 WSK A 108 -4.617 9.957 -5.783 1.00 20.00 C HETATM 1603 C16 WSK A 108 -4.868 12.162 -4.942 1.00 20.00 C HETATM 1604 BR1 WSK A 108 -7.301 7.554 4.844 1.00 20.00 BR HETATM 1605 BR2 WSK A 108 0.005 4.437 1.456 1.00 20.00 BR HETATM 0 H9 WSK A 108 -4.908 7.473 -2.867 1.00 20.00 H new HETATM 0 H8 WSK A 108 -6.234 8.332 -2.108 1.00 20.00 H new HETATM 0 H6 WSK A 108 -4.761 6.489 3.599 1.00 20.00 H new HETATM 0 H5 WSK A 108 -8.297 8.782 2.270 1.00 20.00 H new HETATM 0 H4 WSK A 108 -7.406 8.897 -0.102 1.00 20.00 H new HETATM 0 H3 WSK A 108 -2.522 5.520 2.512 1.00 20.00 H new HETATM 0 H2 WSK A 108 -2.401 6.826 -2.448 1.00 20.00 H new HETATM 0 H19 WSK A 108 -4.290 8.944 -5.549 1.00 20.00 H new HETATM 0 H18 WSK A 108 -5.654 9.936 -6.117 1.00 20.00 H new HETATM 0 H17 WSK A 108 -3.989 10.367 -6.574 1.00 20.00 H new HETATM 0 H16 WSK A 108 -5.916 12.197 -5.238 1.00 20.00 H new HETATM 0 H15 WSK A 108 -4.713 12.812 -4.081 1.00 20.00 H new HETATM 0 H14 WSK A 108 -4.246 12.502 -5.770 1.00 20.00 H new HETATM 0 H13 WSK A 108 -2.604 9.991 -2.967 1.00 20.00 H new HETATM 0 H12 WSK A 108 -5.817 11.151 -3.005 1.00 20.00 H new HETATM 0 H11 WSK A 108 -6.107 9.658 -3.875 1.00 20.00 H new HETATM 0 H10 WSK A 108 -4.361 10.024 -1.423 1.00 20.00 H new HETATM 0 H1 WSK A 108 -0.492 5.516 -1.396 1.00 20.00 H new