USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 86 THR OG1 : rot -113:sc= 1.08 USER MOD Set 1.2: A 91 GLN : amide:sc= 0.739 K(o=1.8,f=-1.6!) USER MOD Set 2.1: A 82 THR OG1 : rot -84:sc= 1.27 USER MOD Set 2.2: A 95 SER OG : rot 180:sc= 1.09 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -52:sc= 0.315 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.97) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc=-0.00852 K(o=-0.0085,f=-0.92) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -33:sc= 0.461 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0263 (180deg=-0.217) USER MOD Single : A 34 SER OG : rot 180:sc= -0.24 USER MOD Single : A 38 THR OG1 : rot -135:sc= 0.084 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.751 K(o=-0.75,f=-3.4) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.114 (180deg=-0.589) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.0249 K(o=0.025,f=-1.6) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -2.53! (180deg=-4.53!) USER MOD Single : A 58 MET CE :methyl 180:sc= -0.0472 (180deg=-0.0472) USER MOD Single : A 63 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 66 HIS : no HD1:sc= -3.86! K(o=-3.9!,f=-1.8) USER MOD Single : A 67 SER OG : rot 16:sc= -0.026 USER MOD Single : A 74 THR OG1 : rot -51:sc= 0.0381 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -33:sc= 1.24 USER MOD Single : A 83 CYS SG : rot 107:sc= -3.05! USER MOD Single : A 87 ASN : amide:sc= -3.59 K(o=-3.6,f=-17!) USER MOD Single : A 92 ASN : amide:sc= -0.872 K(o=-0.87,f=-4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.0225 (180deg=-0.222) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.396 28.801 2.437 1.00 0.00 N ATOM 2 CA GLY A 1 11.392 28.097 1.168 1.00 0.00 C ATOM 3 C GLY A 1 10.017 27.578 0.798 1.00 0.00 C ATOM 4 O GLY A 1 9.754 26.378 0.887 1.00 0.00 O ATOM 0 H1 GLY A 1 12.358 29.136 2.645 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.750 29.614 2.385 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.083 28.158 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.748 28.765 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.091 27.262 1.217 1.00 0.00 H new ATOM 8 N SER A 2 9.136 28.483 0.384 1.00 0.00 N ATOM 9 CA SER A 2 7.778 28.110 0.004 1.00 0.00 C ATOM 10 C SER A 2 7.363 28.811 -1.286 1.00 0.00 C ATOM 11 O SER A 2 7.841 29.903 -1.594 1.00 0.00 O ATOM 12 CB SER A 2 6.799 28.459 1.126 1.00 0.00 C ATOM 13 OG SER A 2 5.547 27.826 0.925 1.00 0.00 O ATOM 0 H SER A 2 9.338 29.480 0.303 1.00 0.00 H new ATOM 0 HA SER A 2 7.756 27.033 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.216 28.152 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.661 29.539 1.170 1.00 0.00 H new ATOM 0 HG SER A 2 4.939 28.063 1.656 1.00 0.00 H new ATOM 19 N SER A 3 6.470 28.174 -2.037 1.00 0.00 N ATOM 20 CA SER A 3 5.993 28.733 -3.296 1.00 0.00 C ATOM 21 C SER A 3 4.747 29.585 -3.074 1.00 0.00 C ATOM 22 O SER A 3 3.822 29.576 -3.885 1.00 0.00 O ATOM 23 CB SER A 3 5.687 27.613 -4.293 1.00 0.00 C ATOM 24 OG SER A 3 5.479 28.132 -5.595 1.00 0.00 O ATOM 0 H SER A 3 6.063 27.271 -1.795 1.00 0.00 H new ATOM 0 HA SER A 3 6.779 29.368 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.512 26.901 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.801 27.066 -3.970 1.00 0.00 H new ATOM 0 HG SER A 3 4.804 28.841 -5.560 1.00 0.00 H new ATOM 30 N GLY A 4 4.731 30.322 -1.967 1.00 0.00 N ATOM 31 CA GLY A 4 3.595 31.170 -1.657 1.00 0.00 C ATOM 32 C GLY A 4 2.580 30.477 -0.770 1.00 0.00 C ATOM 33 O GLY A 4 2.628 30.600 0.454 1.00 0.00 O ATOM 0 H GLY A 4 5.484 30.347 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.946 32.076 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.112 31.479 -2.584 1.00 0.00 H new ATOM 37 N SER A 5 1.655 29.749 -1.389 1.00 0.00 N ATOM 38 CA SER A 5 0.620 29.039 -0.648 1.00 0.00 C ATOM 39 C SER A 5 1.236 28.007 0.293 1.00 0.00 C ATOM 40 O SER A 5 2.117 27.242 -0.099 1.00 0.00 O ATOM 41 CB SER A 5 -0.347 28.351 -1.613 1.00 0.00 C ATOM 42 OG SER A 5 -1.020 29.300 -2.423 1.00 0.00 O ATOM 0 H SER A 5 1.602 29.636 -2.401 1.00 0.00 H new ATOM 0 HA SER A 5 0.071 29.768 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.201 27.652 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.075 27.768 -1.049 1.00 0.00 H new ATOM 0 HG SER A 5 -1.631 28.835 -3.032 1.00 0.00 H new ATOM 48 N SER A 6 0.765 27.993 1.536 1.00 0.00 N ATOM 49 CA SER A 6 1.271 27.059 2.534 1.00 0.00 C ATOM 50 C SER A 6 1.241 25.628 2.005 1.00 0.00 C ATOM 51 O SER A 6 0.228 25.171 1.477 1.00 0.00 O ATOM 52 CB SER A 6 0.446 27.156 3.819 1.00 0.00 C ATOM 53 OG SER A 6 1.031 26.394 4.860 1.00 0.00 O ATOM 0 H SER A 6 0.034 28.618 1.875 1.00 0.00 H new ATOM 0 HA SER A 6 2.305 27.326 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.368 28.199 4.127 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.568 26.803 3.631 1.00 0.00 H new ATOM 0 HG SER A 6 0.486 26.474 5.670 1.00 0.00 H new ATOM 59 N GLY A 7 2.361 24.926 2.151 1.00 0.00 N ATOM 60 CA GLY A 7 2.443 23.555 1.682 1.00 0.00 C ATOM 61 C GLY A 7 3.862 23.141 1.349 1.00 0.00 C ATOM 62 O GLY A 7 4.708 23.983 1.046 1.00 0.00 O ATOM 0 H GLY A 7 3.212 25.282 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.043 22.888 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.817 23.439 0.798 1.00 0.00 H new ATOM 66 N PHE A 8 4.126 21.839 1.405 1.00 0.00 N ATOM 67 CA PHE A 8 5.454 21.314 1.109 1.00 0.00 C ATOM 68 C PHE A 8 5.372 20.151 0.125 1.00 0.00 C ATOM 69 O PHE A 8 4.392 19.406 0.108 1.00 0.00 O ATOM 70 CB PHE A 8 6.144 20.860 2.397 1.00 0.00 C ATOM 71 CG PHE A 8 5.876 21.759 3.570 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.635 21.764 4.186 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.865 22.598 4.057 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.384 22.589 5.266 1.00 0.00 C ATOM 75 CE2 PHE A 8 6.620 23.425 5.137 1.00 0.00 C ATOM 76 CZ PHE A 8 5.378 23.422 5.742 1.00 0.00 C ATOM 0 H PHE A 8 3.437 21.128 1.653 1.00 0.00 H new ATOM 0 HA PHE A 8 6.040 22.112 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.813 19.850 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.219 20.811 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.854 21.115 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.838 22.606 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.412 22.582 5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.400 24.074 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.185 24.069 6.585 1.00 0.00 H new ATOM 86 N ARG A 9 6.408 20.003 -0.693 1.00 0.00 N ATOM 87 CA ARG A 9 6.454 18.932 -1.682 1.00 0.00 C ATOM 88 C ARG A 9 6.174 17.580 -1.033 1.00 0.00 C ATOM 89 O ARG A 9 6.640 17.284 0.068 1.00 0.00 O ATOM 90 CB ARG A 9 7.818 18.905 -2.373 1.00 0.00 C ATOM 91 CG ARG A 9 7.810 18.178 -3.708 1.00 0.00 C ATOM 92 CD ARG A 9 9.166 18.254 -4.392 1.00 0.00 C ATOM 93 NE ARG A 9 10.151 17.386 -3.752 1.00 0.00 N ATOM 94 CZ ARG A 9 11.464 17.571 -3.844 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.946 18.587 -4.545 1.00 0.00 N ATOM 96 NH2 ARG A 9 12.297 16.738 -3.233 1.00 0.00 N ATOM 0 H ARG A 9 7.227 20.611 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 9 5.681 19.126 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.157 19.929 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.541 18.426 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.537 17.134 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.049 18.613 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.060 17.972 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.524 19.283 -4.374 1.00 0.00 H new ATOM 0 HE ARG A 9 9.813 16.595 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.309 19.230 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.954 18.726 -4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.930 15.955 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.304 16.881 -3.304 1.00 0.00 H new ATOM 110 N PRO A 10 5.393 16.740 -1.728 1.00 0.00 N ATOM 111 CA PRO A 10 5.033 15.406 -1.238 1.00 0.00 C ATOM 112 C PRO A 10 6.222 14.451 -1.230 1.00 0.00 C ATOM 113 O PRO A 10 6.692 14.019 -2.284 1.00 0.00 O ATOM 114 CB PRO A 10 3.975 14.934 -2.239 1.00 0.00 C ATOM 115 CG PRO A 10 4.271 15.691 -3.488 1.00 0.00 C ATOM 116 CD PRO A 10 4.802 17.027 -3.046 1.00 0.00 C ATOM 0 HA PRO A 10 4.682 15.432 -0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.038 13.858 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.968 15.143 -1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.002 15.163 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.373 15.809 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.544 17.415 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.009 17.772 -2.977 1.00 0.00 H new ATOM 124 N HIS A 11 6.705 14.124 -0.036 1.00 0.00 N ATOM 125 CA HIS A 11 7.840 13.219 0.109 1.00 0.00 C ATOM 126 C HIS A 11 7.536 12.127 1.131 1.00 0.00 C ATOM 127 O HIS A 11 7.091 12.410 2.243 1.00 0.00 O ATOM 128 CB HIS A 11 9.088 13.995 0.530 1.00 0.00 C ATOM 129 CG HIS A 11 10.088 13.163 1.272 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.576 11.966 0.792 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.693 13.363 2.467 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.437 11.465 1.660 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.526 12.293 2.685 1.00 0.00 N ATOM 0 H HIS A 11 6.328 14.472 0.846 1.00 0.00 H new ATOM 0 HA HIS A 11 8.024 12.748 -0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.563 14.413 -0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.789 14.835 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.548 14.206 3.126 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.977 10.536 1.550 1.00 0.00 H new ATOM 0 HE2 HIS A 11 12.117 12.160 3.505 1.00 0.00 H new ATOM 141 N PHE A 12 7.779 10.879 0.745 1.00 0.00 N ATOM 142 CA PHE A 12 7.530 9.744 1.626 1.00 0.00 C ATOM 143 C PHE A 12 8.654 9.593 2.648 1.00 0.00 C ATOM 144 O PHE A 12 9.752 9.144 2.318 1.00 0.00 O ATOM 145 CB PHE A 12 7.392 8.457 0.810 1.00 0.00 C ATOM 146 CG PHE A 12 6.205 8.457 -0.111 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.965 8.031 0.336 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.331 8.881 -1.424 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.871 8.030 -0.508 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.240 8.882 -2.273 1.00 0.00 C ATOM 151 CZ PHE A 12 4.009 8.455 -1.815 1.00 0.00 C ATOM 0 H PHE A 12 8.148 10.628 -0.172 1.00 0.00 H new ATOM 0 HA PHE A 12 6.598 9.928 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.298 8.310 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.313 7.610 1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.852 7.696 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.292 9.214 -1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.909 7.697 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.350 9.217 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.156 8.453 -2.477 1.00 0.00 H new ATOM 161 N LEU A 13 8.370 9.970 3.890 1.00 0.00 N ATOM 162 CA LEU A 13 9.355 9.878 4.962 1.00 0.00 C ATOM 163 C LEU A 13 9.841 8.442 5.133 1.00 0.00 C ATOM 164 O LEU A 13 11.033 8.197 5.316 1.00 0.00 O ATOM 165 CB LEU A 13 8.759 10.387 6.275 1.00 0.00 C ATOM 166 CG LEU A 13 8.371 11.865 6.307 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.633 12.195 7.596 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.604 12.744 6.156 1.00 0.00 C ATOM 0 H LEU A 13 7.466 10.342 4.179 1.00 0.00 H new ATOM 0 HA LEU A 13 10.208 10.501 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.873 9.794 6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.479 10.204 7.073 1.00 0.00 H new ATOM 0 HG LEU A 13 7.703 12.064 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.365 13.251 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.728 11.590 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.277 11.980 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.308 13.793 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.297 12.543 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.091 12.527 5.205 1.00 0.00 H new ATOM 180 N GLN A 14 8.909 7.496 5.069 1.00 0.00 N ATOM 181 CA GLN A 14 9.242 6.084 5.216 1.00 0.00 C ATOM 182 C GLN A 14 8.386 5.224 4.292 1.00 0.00 C ATOM 183 O GLN A 14 7.167 5.154 4.446 1.00 0.00 O ATOM 184 CB GLN A 14 9.051 5.641 6.667 1.00 0.00 C ATOM 185 CG GLN A 14 9.499 4.213 6.932 1.00 0.00 C ATOM 186 CD GLN A 14 9.104 3.723 8.311 1.00 0.00 C ATOM 187 OE1 GLN A 14 9.909 3.743 9.243 1.00 0.00 O ATOM 188 NE2 GLN A 14 7.860 3.281 8.449 1.00 0.00 N ATOM 0 H GLN A 14 7.918 7.682 4.916 1.00 0.00 H new ATOM 0 HA GLN A 14 10.288 5.953 4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.607 6.314 7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.998 5.738 6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.066 3.555 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.582 4.150 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.227 3.283 7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.537 2.940 9.355 1.00 0.00 H new ATOM 197 N ALA A 15 9.033 4.571 3.332 1.00 0.00 N ATOM 198 CA ALA A 15 8.332 3.714 2.385 1.00 0.00 C ATOM 199 C ALA A 15 8.808 2.270 2.494 1.00 0.00 C ATOM 200 O ALA A 15 9.984 1.995 2.733 1.00 0.00 O ATOM 201 CB ALA A 15 8.522 4.229 0.966 1.00 0.00 C ATOM 0 H ALA A 15 10.042 4.620 3.190 1.00 0.00 H new ATOM 0 HA ALA A 15 7.270 3.738 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.993 3.579 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.126 5.242 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.584 4.236 0.721 1.00 0.00 H new ATOM 207 N PRO A 16 7.875 1.323 2.315 1.00 0.00 N ATOM 208 CA PRO A 16 8.177 -0.110 2.389 1.00 0.00 C ATOM 209 C PRO A 16 9.025 -0.585 1.214 1.00 0.00 C ATOM 210 O PRO A 16 9.413 0.206 0.356 1.00 0.00 O ATOM 211 CB PRO A 16 6.794 -0.766 2.351 1.00 0.00 C ATOM 212 CG PRO A 16 5.926 0.221 1.650 1.00 0.00 C ATOM 213 CD PRO A 16 6.454 1.578 2.026 1.00 0.00 C ATOM 0 HA PRO A 16 8.758 -0.359 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.821 -1.717 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.426 -0.973 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.961 0.074 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.885 0.110 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.331 2.296 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.934 1.985 2.893 1.00 0.00 H new ATOM 221 N GLY A 17 9.308 -1.884 1.181 1.00 0.00 N ATOM 222 CA GLY A 17 10.108 -2.442 0.107 1.00 0.00 C ATOM 223 C GLY A 17 9.606 -3.799 -0.345 1.00 0.00 C ATOM 224 O GLY A 17 8.510 -3.912 -0.894 1.00 0.00 O ATOM 0 H GLY A 17 8.997 -2.560 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.103 -1.756 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.143 -2.533 0.438 1.00 0.00 H new ATOM 228 N ASP A 18 10.410 -4.831 -0.116 1.00 0.00 N ATOM 229 CA ASP A 18 10.042 -6.188 -0.504 1.00 0.00 C ATOM 230 C ASP A 18 9.636 -7.011 0.715 1.00 0.00 C ATOM 231 O ASP A 18 10.314 -6.992 1.744 1.00 0.00 O ATOM 232 CB ASP A 18 11.205 -6.868 -1.229 1.00 0.00 C ATOM 233 CG ASP A 18 10.736 -7.889 -2.245 1.00 0.00 C ATOM 234 OD1 ASP A 18 9.666 -8.497 -2.026 1.00 0.00 O ATOM 235 OD2 ASP A 18 11.437 -8.081 -3.261 1.00 0.00 O ATOM 0 H ASP A 18 11.321 -4.754 0.336 1.00 0.00 H new ATOM 0 HA ASP A 18 9.189 -6.127 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.809 -6.112 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.849 -7.357 -0.498 1.00 0.00 H new ATOM 240 N LEU A 19 8.527 -7.731 0.594 1.00 0.00 N ATOM 241 CA LEU A 19 8.030 -8.560 1.686 1.00 0.00 C ATOM 242 C LEU A 19 7.643 -9.948 1.184 1.00 0.00 C ATOM 243 O LEU A 19 7.548 -10.180 -0.021 1.00 0.00 O ATOM 244 CB LEU A 19 6.825 -7.892 2.352 1.00 0.00 C ATOM 245 CG LEU A 19 7.144 -6.789 3.363 1.00 0.00 C ATOM 246 CD1 LEU A 19 7.607 -5.529 2.649 1.00 0.00 C ATOM 247 CD2 LEU A 19 5.929 -6.496 4.232 1.00 0.00 C ATOM 0 H LEU A 19 7.954 -7.758 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 19 8.829 -8.669 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.191 -7.470 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.241 -8.662 2.856 1.00 0.00 H new ATOM 0 HG LEU A 19 7.952 -7.135 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.829 -4.755 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.504 -5.748 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.820 -5.179 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.173 -5.709 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.101 -6.170 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.641 -7.398 4.771 1.00 0.00 H new ATOM 259 N THR A 20 7.418 -10.868 2.117 1.00 0.00 N ATOM 260 CA THR A 20 7.040 -12.232 1.770 1.00 0.00 C ATOM 261 C THR A 20 5.907 -12.732 2.659 1.00 0.00 C ATOM 262 O THR A 20 6.059 -12.833 3.877 1.00 0.00 O ATOM 263 CB THR A 20 8.236 -13.195 1.893 1.00 0.00 C ATOM 264 OG1 THR A 20 9.434 -12.546 1.450 1.00 0.00 O ATOM 265 CG2 THR A 20 8.003 -14.455 1.073 1.00 0.00 C ATOM 0 H THR A 20 7.491 -10.693 3.119 1.00 0.00 H new ATOM 0 HA THR A 20 6.703 -12.212 0.733 1.00 0.00 H new ATOM 0 HB THR A 20 8.341 -13.477 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.190 -13.164 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.861 -15.120 1.176 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.107 -14.962 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.874 -14.188 0.024 1.00 0.00 H new ATOM 273 N VAL A 21 4.771 -13.043 2.044 1.00 0.00 N ATOM 274 CA VAL A 21 3.612 -13.535 2.780 1.00 0.00 C ATOM 275 C VAL A 21 2.962 -14.711 2.059 1.00 0.00 C ATOM 276 O VAL A 21 2.669 -14.635 0.867 1.00 0.00 O ATOM 277 CB VAL A 21 2.563 -12.426 2.980 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.296 -12.995 3.600 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.129 -11.305 3.838 1.00 0.00 C ATOM 0 H VAL A 21 4.628 -12.963 1.037 1.00 0.00 H new ATOM 0 HA VAL A 21 3.972 -13.864 3.755 1.00 0.00 H new ATOM 0 HB VAL A 21 2.308 -12.012 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.566 -12.197 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.881 -13.760 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.532 -13.437 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.374 -10.530 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.415 -11.701 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.005 -10.879 3.349 1.00 0.00 H new ATOM 289 N GLN A 22 2.739 -15.797 2.793 1.00 0.00 N ATOM 290 CA GLN A 22 2.124 -16.989 2.223 1.00 0.00 C ATOM 291 C GLN A 22 0.667 -16.727 1.854 1.00 0.00 C ATOM 292 O GLN A 22 0.053 -15.782 2.349 1.00 0.00 O ATOM 293 CB GLN A 22 2.210 -18.155 3.210 1.00 0.00 C ATOM 294 CG GLN A 22 2.030 -19.517 2.561 1.00 0.00 C ATOM 295 CD GLN A 22 2.172 -20.658 3.548 1.00 0.00 C ATOM 296 OE1 GLN A 22 2.484 -20.445 4.720 1.00 0.00 O ATOM 297 NE2 GLN A 22 1.942 -21.879 3.080 1.00 0.00 N ATOM 0 H GLN A 22 2.975 -15.875 3.782 1.00 0.00 H new ATOM 0 HA GLN A 22 2.669 -17.249 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.178 -18.126 3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.449 -18.025 3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.046 -19.566 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.766 -19.636 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.686 -22.010 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.021 -22.686 3.699 1.00 0.00 H new ATOM 306 N GLU A 23 0.121 -17.569 0.983 1.00 0.00 N ATOM 307 CA GLU A 23 -1.263 -17.426 0.548 1.00 0.00 C ATOM 308 C GLU A 23 -2.226 -17.690 1.702 1.00 0.00 C ATOM 309 O GLU A 23 -2.031 -18.614 2.489 1.00 0.00 O ATOM 310 CB GLU A 23 -1.559 -18.386 -0.607 1.00 0.00 C ATOM 311 CG GLU A 23 -2.979 -18.279 -1.138 1.00 0.00 C ATOM 312 CD GLU A 23 -3.944 -19.196 -0.412 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.859 -20.426 -0.616 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.784 -18.686 0.358 1.00 0.00 O ATOM 0 H GLU A 23 0.616 -18.357 0.565 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.406 -16.401 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.860 -18.189 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.381 -19.408 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.322 -17.249 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.985 -18.520 -2.201 1.00 0.00 H new ATOM 321 N GLY A 24 -3.267 -16.868 1.795 1.00 0.00 N ATOM 322 CA GLY A 24 -4.245 -17.027 2.856 1.00 0.00 C ATOM 323 C GLY A 24 -3.730 -16.543 4.197 1.00 0.00 C ATOM 324 O GLY A 24 -4.084 -17.092 5.241 1.00 0.00 O ATOM 0 H GLY A 24 -3.451 -16.095 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.150 -16.476 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.523 -18.078 2.935 1.00 0.00 H new ATOM 328 N LYS A 25 -2.889 -15.515 4.170 1.00 0.00 N ATOM 329 CA LYS A 25 -2.323 -14.957 5.392 1.00 0.00 C ATOM 330 C LYS A 25 -2.606 -13.461 5.490 1.00 0.00 C ATOM 331 O LYS A 25 -3.098 -12.849 4.541 1.00 0.00 O ATOM 332 CB LYS A 25 -0.814 -15.205 5.439 1.00 0.00 C ATOM 333 CG LYS A 25 -0.444 -16.636 5.790 1.00 0.00 C ATOM 334 CD LYS A 25 -0.594 -16.903 7.278 1.00 0.00 C ATOM 335 CE LYS A 25 -0.367 -18.370 7.607 1.00 0.00 C ATOM 336 NZ LYS A 25 1.082 -18.710 7.657 1.00 0.00 N ATOM 0 H LYS A 25 -2.584 -15.051 3.314 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.794 -15.454 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.383 -14.954 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.366 -14.533 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.078 -17.324 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.584 -16.832 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.117 -16.291 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.591 -16.606 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.828 -18.602 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.860 -18.990 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.194 -19.719 7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.517 -18.513 6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.548 -18.137 8.389 1.00 0.00 H new ATOM 350 N LEU A 26 -2.290 -12.878 6.640 1.00 0.00 N ATOM 351 CA LEU A 26 -2.509 -11.452 6.861 1.00 0.00 C ATOM 352 C LEU A 26 -1.348 -10.631 6.309 1.00 0.00 C ATOM 353 O LEU A 26 -0.186 -10.889 6.625 1.00 0.00 O ATOM 354 CB LEU A 26 -2.684 -11.168 8.354 1.00 0.00 C ATOM 355 CG LEU A 26 -2.844 -9.698 8.743 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.492 -9.004 8.775 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.787 -8.991 7.780 1.00 0.00 C ATOM 0 H LEU A 26 -1.881 -13.370 7.435 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.418 -11.163 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.559 -11.714 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.821 -11.572 8.884 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.276 -9.651 9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.626 -7.959 9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.848 -9.495 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.031 -9.060 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.889 -7.946 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.384 -9.047 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.764 -9.473 7.808 1.00 0.00 H new ATOM 369 N CYS A 27 -1.670 -9.641 5.483 1.00 0.00 N ATOM 370 CA CYS A 27 -0.654 -8.781 4.888 1.00 0.00 C ATOM 371 C CYS A 27 -0.956 -7.312 5.164 1.00 0.00 C ATOM 372 O CYS A 27 -2.045 -6.824 4.861 1.00 0.00 O ATOM 373 CB CYS A 27 -0.572 -9.023 3.380 1.00 0.00 C ATOM 374 SG CYS A 27 0.168 -7.658 2.453 1.00 0.00 S ATOM 0 H CYS A 27 -2.626 -9.415 5.211 1.00 0.00 H new ATOM 0 HA CYS A 27 0.306 -9.027 5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.008 -9.928 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.576 -9.206 2.997 1.00 0.00 H new ATOM 0 HG CYS A 27 0.195 -7.957 1.188 1.00 0.00 H new ATOM 380 N ARG A 28 0.015 -6.612 5.742 1.00 0.00 N ATOM 381 CA ARG A 28 -0.148 -5.199 6.062 1.00 0.00 C ATOM 382 C ARG A 28 0.952 -4.364 5.412 1.00 0.00 C ATOM 383 O ARG A 28 2.076 -4.832 5.233 1.00 0.00 O ATOM 384 CB ARG A 28 -0.131 -4.992 7.577 1.00 0.00 C ATOM 385 CG ARG A 28 -0.586 -3.608 8.008 1.00 0.00 C ATOM 386 CD ARG A 28 -0.824 -3.541 9.509 1.00 0.00 C ATOM 387 NE ARG A 28 -1.389 -2.258 9.917 1.00 0.00 N ATOM 388 CZ ARG A 28 -1.457 -1.853 11.181 1.00 0.00 C ATOM 389 NH1 ARG A 28 -0.997 -2.628 12.154 1.00 0.00 N ATOM 390 NH2 ARG A 28 -1.985 -0.672 11.473 1.00 0.00 N ATOM 0 H ARG A 28 0.923 -7.000 5.998 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.110 -4.872 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.774 -5.738 8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.880 -5.165 7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.166 -2.872 7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.503 -3.345 7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.498 -4.345 9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.118 -3.705 10.033 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.751 -1.639 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.590 -3.537 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.050 -2.315 13.123 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.340 -0.073 10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.037 -0.362 12.443 1.00 0.00 H new ATOM 404 N MET A 29 0.618 -3.127 5.060 1.00 0.00 N ATOM 405 CA MET A 29 1.577 -2.227 4.430 1.00 0.00 C ATOM 406 C MET A 29 1.292 -0.777 4.808 1.00 0.00 C ATOM 407 O MET A 29 0.235 -0.237 4.481 1.00 0.00 O ATOM 408 CB MET A 29 1.536 -2.387 2.909 1.00 0.00 C ATOM 409 CG MET A 29 2.380 -3.543 2.397 1.00 0.00 C ATOM 410 SD MET A 29 2.906 -3.315 0.688 1.00 0.00 S ATOM 411 CE MET A 29 1.681 -4.293 -0.178 1.00 0.00 C ATOM 0 H MET A 29 -0.309 -2.725 5.200 1.00 0.00 H new ATOM 0 HA MET A 29 2.572 -2.488 4.789 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.503 -2.535 2.595 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.881 -1.463 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.259 -3.655 3.032 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.809 -4.468 2.477 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.873 -4.251 -1.250 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.736 -5.328 0.160 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.687 -3.896 0.028 1.00 0.00 H new ATOM 421 N ASP A 30 2.240 -0.153 5.498 1.00 0.00 N ATOM 422 CA ASP A 30 2.090 1.235 5.920 1.00 0.00 C ATOM 423 C ASP A 30 3.134 2.123 5.250 1.00 0.00 C ATOM 424 O ASP A 30 4.252 1.684 4.976 1.00 0.00 O ATOM 425 CB ASP A 30 2.211 1.344 7.441 1.00 0.00 C ATOM 426 CG ASP A 30 3.520 0.781 7.959 1.00 0.00 C ATOM 427 OD1 ASP A 30 4.558 1.459 7.808 1.00 0.00 O ATOM 428 OD2 ASP A 30 3.507 -0.337 8.516 1.00 0.00 O ATOM 0 H ASP A 30 3.120 -0.586 5.777 1.00 0.00 H new ATOM 0 HA ASP A 30 1.100 1.576 5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.127 2.390 7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.381 0.814 7.908 1.00 0.00 H new ATOM 433 N CYS A 31 2.761 3.370 4.987 1.00 0.00 N ATOM 434 CA CYS A 31 3.665 4.319 4.346 1.00 0.00 C ATOM 435 C CYS A 31 3.418 5.735 4.858 1.00 0.00 C ATOM 436 O CYS A 31 2.276 6.191 4.930 1.00 0.00 O ATOM 437 CB CYS A 31 3.491 4.275 2.828 1.00 0.00 C ATOM 438 SG CYS A 31 1.859 4.802 2.256 1.00 0.00 S ATOM 0 H CYS A 31 1.840 3.748 5.207 1.00 0.00 H new ATOM 0 HA CYS A 31 4.687 4.035 4.595 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.248 4.910 2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.675 3.258 2.481 1.00 0.00 H new ATOM 0 HG CYS A 31 0.961 4.461 3.132 1.00 0.00 H new ATOM 444 N LYS A 32 4.496 6.427 5.212 1.00 0.00 N ATOM 445 CA LYS A 32 4.398 7.791 5.717 1.00 0.00 C ATOM 446 C LYS A 32 4.754 8.800 4.631 1.00 0.00 C ATOM 447 O LYS A 32 5.721 8.616 3.892 1.00 0.00 O ATOM 448 CB LYS A 32 5.320 7.977 6.924 1.00 0.00 C ATOM 449 CG LYS A 32 4.672 7.613 8.248 1.00 0.00 C ATOM 450 CD LYS A 32 3.950 8.801 8.861 1.00 0.00 C ATOM 451 CE LYS A 32 4.901 9.678 9.661 1.00 0.00 C ATOM 452 NZ LYS A 32 5.333 9.019 10.925 1.00 0.00 N ATOM 0 H LYS A 32 5.448 6.065 5.158 1.00 0.00 H new ATOM 0 HA LYS A 32 3.367 7.965 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.212 7.366 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.648 9.016 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.966 6.796 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.433 7.252 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.485 9.392 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.148 8.446 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.777 9.911 9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.413 10.625 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.718 9.734 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.517 8.550 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.066 8.312 10.715 1.00 0.00 H new ATOM 466 N VAL A 33 3.968 9.868 4.540 1.00 0.00 N ATOM 467 CA VAL A 33 4.202 10.908 3.546 1.00 0.00 C ATOM 468 C VAL A 33 3.833 12.283 4.091 1.00 0.00 C ATOM 469 O VAL A 33 2.721 12.493 4.576 1.00 0.00 O ATOM 470 CB VAL A 33 3.397 10.646 2.259 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.909 10.833 2.513 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.874 11.557 1.138 1.00 0.00 C ATOM 0 H VAL A 33 3.163 10.035 5.143 1.00 0.00 H new ATOM 0 HA VAL A 33 5.266 10.887 3.311 1.00 0.00 H new ATOM 0 HB VAL A 33 3.562 9.613 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.356 10.644 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.581 10.135 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.722 11.854 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.295 11.358 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.741 12.598 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.929 11.368 0.940 1.00 0.00 H new ATOM 482 N SER A 34 4.775 13.218 4.009 1.00 0.00 N ATOM 483 CA SER A 34 4.550 14.574 4.498 1.00 0.00 C ATOM 484 C SER A 34 4.000 15.466 3.390 1.00 0.00 C ATOM 485 O SER A 34 3.958 15.074 2.224 1.00 0.00 O ATOM 486 CB SER A 34 5.852 15.163 5.044 1.00 0.00 C ATOM 487 OG SER A 34 6.015 14.853 6.417 1.00 0.00 O ATOM 0 H SER A 34 5.700 13.062 3.609 1.00 0.00 H new ATOM 0 HA SER A 34 3.815 14.528 5.302 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.697 14.773 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.850 16.245 4.910 1.00 0.00 H new ATOM 0 HG SER A 34 6.855 15.239 6.742 1.00 0.00 H new ATOM 493 N GLY A 35 3.578 16.671 3.763 1.00 0.00 N ATOM 494 CA GLY A 35 3.036 17.601 2.791 1.00 0.00 C ATOM 495 C GLY A 35 1.762 18.266 3.272 1.00 0.00 C ATOM 496 O GLY A 35 1.009 17.688 4.058 1.00 0.00 O ATOM 0 H GLY A 35 3.602 17.019 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.780 18.366 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.837 17.072 1.859 1.00 0.00 H new ATOM 500 N LEU A 36 1.519 19.485 2.803 1.00 0.00 N ATOM 501 CA LEU A 36 0.327 20.231 3.192 1.00 0.00 C ATOM 502 C LEU A 36 -0.252 20.991 2.003 1.00 0.00 C ATOM 503 O LEU A 36 0.446 21.730 1.308 1.00 0.00 O ATOM 504 CB LEU A 36 0.658 21.206 4.323 1.00 0.00 C ATOM 505 CG LEU A 36 0.524 20.656 5.744 1.00 0.00 C ATOM 506 CD1 LEU A 36 1.793 19.926 6.156 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.211 21.779 6.723 1.00 0.00 C ATOM 0 H LEU A 36 2.131 19.978 2.153 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.419 19.518 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.681 21.557 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.007 22.075 4.228 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.302 19.945 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.679 19.542 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.974 19.097 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.637 20.615 6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.119 21.370 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.015 22.514 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.726 22.258 6.439 1.00 0.00 H new ATOM 519 N PRO A 37 -1.559 20.809 1.764 1.00 0.00 N ATOM 520 CA PRO A 37 -2.400 19.932 2.584 1.00 0.00 C ATOM 521 C PRO A 37 -2.059 18.458 2.393 1.00 0.00 C ATOM 522 O PRO A 37 -1.083 18.117 1.724 1.00 0.00 O ATOM 523 CB PRO A 37 -3.815 20.224 2.080 1.00 0.00 C ATOM 524 CG PRO A 37 -3.628 20.708 0.684 1.00 0.00 C ATOM 525 CD PRO A 37 -2.317 21.445 0.673 1.00 0.00 C ATOM 0 HA PRO A 37 -2.266 20.119 3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.438 19.330 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.308 20.976 2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.613 19.875 -0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.446 21.363 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.806 21.342 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.454 22.512 0.848 1.00 0.00 H new ATOM 533 N THR A 38 -2.871 17.586 2.984 1.00 0.00 N ATOM 534 CA THR A 38 -2.655 16.149 2.879 1.00 0.00 C ATOM 535 C THR A 38 -2.599 15.706 1.421 1.00 0.00 C ATOM 536 O THR A 38 -3.538 15.906 0.650 1.00 0.00 O ATOM 537 CB THR A 38 -3.764 15.360 3.601 1.00 0.00 C ATOM 538 OG1 THR A 38 -3.896 15.824 4.949 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.457 13.870 3.600 1.00 0.00 C ATOM 0 H THR A 38 -3.684 17.851 3.540 1.00 0.00 H new ATOM 0 HA THR A 38 -1.698 15.938 3.357 1.00 0.00 H new ATOM 0 HB THR A 38 -4.701 15.522 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.959 15.056 5.555 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.254 13.334 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.386 13.514 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.511 13.693 4.112 1.00 0.00 H new ATOM 547 N PRO A 39 -1.474 15.090 1.032 1.00 0.00 N ATOM 548 CA PRO A 39 -1.269 14.605 -0.336 1.00 0.00 C ATOM 549 C PRO A 39 -2.155 13.408 -0.665 1.00 0.00 C ATOM 550 O PRO A 39 -2.160 12.411 0.056 1.00 0.00 O ATOM 551 CB PRO A 39 0.206 14.198 -0.352 1.00 0.00 C ATOM 552 CG PRO A 39 0.529 13.888 1.069 1.00 0.00 C ATOM 553 CD PRO A 39 -0.314 14.818 1.897 1.00 0.00 C ATOM 0 HA PRO A 39 -1.524 15.361 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.371 13.332 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.834 15.002 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.306 12.847 1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.590 14.039 1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.614 14.357 2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.224 15.733 2.147 1.00 0.00 H new ATOM 561 N ASP A 40 -2.902 13.513 -1.759 1.00 0.00 N ATOM 562 CA ASP A 40 -3.790 12.438 -2.185 1.00 0.00 C ATOM 563 C ASP A 40 -3.074 11.485 -3.136 1.00 0.00 C ATOM 564 O ASP A 40 -2.773 11.839 -4.277 1.00 0.00 O ATOM 565 CB ASP A 40 -5.035 13.014 -2.862 1.00 0.00 C ATOM 566 CG ASP A 40 -6.016 13.603 -1.867 1.00 0.00 C ATOM 567 OD1 ASP A 40 -5.571 14.336 -0.959 1.00 0.00 O ATOM 568 OD2 ASP A 40 -7.228 13.330 -1.996 1.00 0.00 O ATOM 0 H ASP A 40 -2.910 14.332 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.093 11.879 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.735 13.785 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.530 12.229 -3.434 1.00 0.00 H new ATOM 573 N LEU A 41 -2.801 10.275 -2.659 1.00 0.00 N ATOM 574 CA LEU A 41 -2.118 9.271 -3.466 1.00 0.00 C ATOM 575 C LEU A 41 -3.078 8.158 -3.877 1.00 0.00 C ATOM 576 O LEU A 41 -4.024 7.842 -3.155 1.00 0.00 O ATOM 577 CB LEU A 41 -0.938 8.681 -2.691 1.00 0.00 C ATOM 578 CG LEU A 41 -1.266 8.080 -1.324 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.275 6.982 -0.972 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.269 9.161 -0.253 1.00 0.00 C ATOM 0 H LEU A 41 -3.042 9.966 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.746 9.757 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.477 7.907 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.193 9.464 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.262 7.640 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.524 6.566 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.322 6.195 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.733 7.397 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.504 8.715 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.286 9.630 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.019 9.913 -0.498 1.00 0.00 H new ATOM 592 N SER A 42 -2.826 7.566 -5.040 1.00 0.00 N ATOM 593 CA SER A 42 -3.668 6.490 -5.548 1.00 0.00 C ATOM 594 C SER A 42 -2.866 5.203 -5.712 1.00 0.00 C ATOM 595 O SER A 42 -1.739 5.220 -6.207 1.00 0.00 O ATOM 596 CB SER A 42 -4.290 6.890 -6.888 1.00 0.00 C ATOM 597 OG SER A 42 -5.096 8.048 -6.751 1.00 0.00 O ATOM 0 H SER A 42 -2.045 7.814 -5.648 1.00 0.00 H new ATOM 0 HA SER A 42 -4.463 6.312 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.502 7.076 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.892 6.067 -7.273 1.00 0.00 H new ATOM 0 HG SER A 42 -5.480 8.284 -7.621 1.00 0.00 H new ATOM 603 N TRP A 43 -3.454 4.089 -5.291 1.00 0.00 N ATOM 604 CA TRP A 43 -2.794 2.792 -5.390 1.00 0.00 C ATOM 605 C TRP A 43 -2.971 2.196 -6.782 1.00 0.00 C ATOM 606 O TRP A 43 -4.031 2.330 -7.393 1.00 0.00 O ATOM 607 CB TRP A 43 -3.350 1.832 -4.337 1.00 0.00 C ATOM 608 CG TRP A 43 -3.013 2.232 -2.932 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.775 2.991 -2.090 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.825 1.894 -2.207 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.132 3.145 -0.886 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.935 2.481 -0.931 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.681 1.151 -2.510 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.943 2.349 0.037 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.302 1.021 -1.549 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.166 1.616 -0.287 1.00 0.00 C ATOM 0 H TRP A 43 -4.386 4.058 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.729 2.940 -5.211 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.434 1.777 -4.442 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.960 0.832 -4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.741 3.408 -2.335 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.489 3.669 -0.087 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.568 0.687 -3.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.045 2.809 1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.191 0.451 -1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.952 1.493 0.444 1.00 0.00 H new ATOM 627 N GLN A 44 -1.927 1.539 -7.277 1.00 0.00 N ATOM 628 CA GLN A 44 -1.969 0.923 -8.598 1.00 0.00 C ATOM 629 C GLN A 44 -1.352 -0.471 -8.569 1.00 0.00 C ATOM 630 O GLN A 44 -0.211 -0.648 -8.139 1.00 0.00 O ATOM 631 CB GLN A 44 -1.233 1.798 -9.615 1.00 0.00 C ATOM 632 CG GLN A 44 -1.911 3.135 -9.870 1.00 0.00 C ATOM 633 CD GLN A 44 -1.056 4.073 -10.699 1.00 0.00 C ATOM 634 OE1 GLN A 44 0.173 4.021 -10.648 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.704 4.939 -11.469 1.00 0.00 N ATOM 0 H GLN A 44 -1.042 1.420 -6.784 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.014 0.832 -8.895 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.218 1.976 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.151 1.256 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.859 2.966 -10.381 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.143 3.608 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.724 4.947 -11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.182 5.596 -12.049 1.00 0.00 H new ATOM 644 N LEU A 45 -2.112 -1.459 -9.027 1.00 0.00 N ATOM 645 CA LEU A 45 -1.640 -2.839 -9.053 1.00 0.00 C ATOM 646 C LEU A 45 -1.416 -3.311 -10.486 1.00 0.00 C ATOM 647 O LEU A 45 -2.338 -3.309 -11.302 1.00 0.00 O ATOM 648 CB LEU A 45 -2.645 -3.756 -8.353 1.00 0.00 C ATOM 649 CG LEU A 45 -2.229 -5.220 -8.206 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.934 -5.330 -7.417 1.00 0.00 C ATOM 651 CD2 LEU A 45 -3.334 -6.024 -7.537 1.00 0.00 C ATOM 0 H LEU A 45 -3.058 -1.330 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.688 -2.882 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.843 -3.354 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.585 -3.720 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.060 -5.632 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.654 -6.379 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.144 -4.789 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.075 -4.901 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.020 -7.063 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.535 -5.613 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.239 -5.973 -8.142 1.00 0.00 H new ATOM 663 N ASP A 46 -0.187 -3.716 -10.785 1.00 0.00 N ATOM 664 CA ASP A 46 0.158 -4.194 -12.118 1.00 0.00 C ATOM 665 C ASP A 46 -0.363 -3.241 -13.189 1.00 0.00 C ATOM 666 O ASP A 46 -1.048 -3.655 -14.124 1.00 0.00 O ATOM 667 CB ASP A 46 -0.412 -5.595 -12.344 1.00 0.00 C ATOM 668 CG ASP A 46 0.435 -6.419 -13.294 1.00 0.00 C ATOM 669 OD1 ASP A 46 0.289 -6.245 -14.522 1.00 0.00 O ATOM 670 OD2 ASP A 46 1.244 -7.238 -12.809 1.00 0.00 O ATOM 0 H ASP A 46 0.588 -3.723 -10.121 1.00 0.00 H new ATOM 0 HA ASP A 46 1.245 -4.236 -12.192 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.487 -6.112 -11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.423 -5.513 -12.742 1.00 0.00 H new ATOM 675 N GLY A 47 -0.035 -1.960 -13.045 1.00 0.00 N ATOM 676 CA GLY A 47 -0.480 -0.968 -14.006 1.00 0.00 C ATOM 677 C GLY A 47 -1.988 -0.932 -14.147 1.00 0.00 C ATOM 678 O GLY A 47 -2.513 -0.756 -15.247 1.00 0.00 O ATOM 0 H GLY A 47 0.531 -1.592 -12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.123 0.015 -13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.033 -1.181 -14.977 1.00 0.00 H new ATOM 682 N LYS A 48 -2.690 -1.103 -13.032 1.00 0.00 N ATOM 683 CA LYS A 48 -4.148 -1.090 -13.034 1.00 0.00 C ATOM 684 C LYS A 48 -4.689 -0.485 -11.743 1.00 0.00 C ATOM 685 O LYS A 48 -4.071 -0.572 -10.682 1.00 0.00 O ATOM 686 CB LYS A 48 -4.690 -2.510 -13.211 1.00 0.00 C ATOM 687 CG LYS A 48 -4.336 -3.135 -14.550 1.00 0.00 C ATOM 688 CD LYS A 48 -4.858 -4.558 -14.657 1.00 0.00 C ATOM 689 CE LYS A 48 -6.365 -4.584 -14.861 1.00 0.00 C ATOM 690 NZ LYS A 48 -6.767 -3.895 -16.118 1.00 0.00 N ATOM 0 H LYS A 48 -2.272 -1.252 -12.114 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.480 -0.474 -13.870 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.301 -3.140 -12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.775 -2.492 -13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.754 -2.532 -15.356 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.254 -3.133 -14.679 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.368 -5.065 -15.488 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.602 -5.110 -13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.710 -5.618 -14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.855 -4.106 -14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.724 -4.199 -16.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.761 -2.866 -15.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.098 -4.138 -16.876 1.00 0.00 H new ATOM 704 N PRO A 49 -5.872 0.142 -11.833 1.00 0.00 N ATOM 705 CA PRO A 49 -6.523 0.771 -10.680 1.00 0.00 C ATOM 706 C PRO A 49 -7.031 -0.252 -9.671 1.00 0.00 C ATOM 707 O PRO A 49 -8.031 -0.930 -9.909 1.00 0.00 O ATOM 708 CB PRO A 49 -7.695 1.532 -11.307 1.00 0.00 C ATOM 709 CG PRO A 49 -7.987 0.802 -12.572 1.00 0.00 C ATOM 710 CD PRO A 49 -6.664 0.283 -13.066 1.00 0.00 C ATOM 0 HA PRO A 49 -5.836 1.405 -10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.561 1.540 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.433 2.572 -11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.687 -0.016 -12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.446 1.463 -13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.774 -0.670 -13.584 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.197 0.975 -13.767 1.00 0.00 H new ATOM 718 N VAL A 50 -6.337 -0.358 -8.542 1.00 0.00 N ATOM 719 CA VAL A 50 -6.719 -1.298 -7.495 1.00 0.00 C ATOM 720 C VAL A 50 -7.840 -0.732 -6.630 1.00 0.00 C ATOM 721 O VAL A 50 -7.701 0.340 -6.041 1.00 0.00 O ATOM 722 CB VAL A 50 -5.521 -1.654 -6.595 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.049 -0.430 -5.825 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.886 -2.784 -5.645 1.00 0.00 C ATOM 0 H VAL A 50 -5.507 0.196 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.070 -2.201 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.701 -1.993 -7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.202 -0.701 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.745 0.347 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.861 -0.057 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.028 -3.023 -5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.721 -2.475 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.171 -3.665 -6.220 1.00 0.00 H new ATOM 734 N ARG A 51 -8.950 -1.459 -6.559 1.00 0.00 N ATOM 735 CA ARG A 51 -10.095 -1.028 -5.766 1.00 0.00 C ATOM 736 C ARG A 51 -10.247 -1.892 -4.517 1.00 0.00 C ATOM 737 O ARG A 51 -9.917 -3.078 -4.509 1.00 0.00 O ATOM 738 CB ARG A 51 -11.374 -1.092 -6.603 1.00 0.00 C ATOM 739 CG ARG A 51 -11.456 -0.016 -7.673 1.00 0.00 C ATOM 740 CD ARG A 51 -12.758 -0.107 -8.455 1.00 0.00 C ATOM 741 NE ARG A 51 -12.863 0.943 -9.465 1.00 0.00 N ATOM 742 CZ ARG A 51 -13.635 0.851 -10.542 1.00 0.00 C ATOM 743 NH1 ARG A 51 -14.366 -0.236 -10.747 1.00 0.00 N ATOM 744 NH2 ARG A 51 -13.678 1.848 -11.416 1.00 0.00 N ATOM 0 H ARG A 51 -9.081 -2.349 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.924 0.003 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.438 -2.071 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.236 -1.001 -5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.377 0.967 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.612 -0.115 -8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.824 -1.082 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.600 -0.034 -7.767 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.314 1.793 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.336 -1.004 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.958 -0.304 -11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.118 2.686 -11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.271 1.776 -12.243 1.00 0.00 H new ATOM 758 N PRO A 52 -10.759 -1.285 -3.436 1.00 0.00 N ATOM 759 CA PRO A 52 -10.967 -1.979 -2.162 1.00 0.00 C ATOM 760 C PRO A 52 -12.091 -3.006 -2.238 1.00 0.00 C ATOM 761 O PRO A 52 -13.188 -2.705 -2.709 1.00 0.00 O ATOM 762 CB PRO A 52 -11.338 -0.850 -1.199 1.00 0.00 C ATOM 763 CG PRO A 52 -11.913 0.216 -2.068 1.00 0.00 C ATOM 764 CD PRO A 52 -11.174 0.127 -3.374 1.00 0.00 C ATOM 0 HA PRO A 52 -10.086 -2.544 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.060 -1.186 -0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.464 -0.490 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.983 0.066 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.788 1.199 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.812 0.396 -4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.316 0.799 -3.397 1.00 0.00 H new ATOM 772 N ASP A 53 -11.812 -4.218 -1.772 1.00 0.00 N ATOM 773 CA ASP A 53 -12.801 -5.290 -1.787 1.00 0.00 C ATOM 774 C ASP A 53 -12.750 -6.094 -0.491 1.00 0.00 C ATOM 775 O ASP A 53 -11.951 -5.804 0.400 1.00 0.00 O ATOM 776 CB ASP A 53 -12.568 -6.213 -2.984 1.00 0.00 C ATOM 777 CG ASP A 53 -13.826 -6.949 -3.401 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.889 -6.301 -3.491 1.00 0.00 O ATOM 779 OD2 ASP A 53 -13.747 -8.173 -3.636 1.00 0.00 O ATOM 0 H ASP A 53 -10.909 -4.483 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.789 -4.838 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.198 -5.626 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.792 -6.937 -2.735 1.00 0.00 H new ATOM 784 N SER A 54 -13.608 -7.104 -0.393 1.00 0.00 N ATOM 785 CA SER A 54 -13.664 -7.947 0.795 1.00 0.00 C ATOM 786 C SER A 54 -12.262 -8.353 1.240 1.00 0.00 C ATOM 787 O SER A 54 -12.034 -8.656 2.411 1.00 0.00 O ATOM 788 CB SER A 54 -14.506 -9.195 0.522 1.00 0.00 C ATOM 789 OG SER A 54 -15.858 -8.853 0.270 1.00 0.00 O ATOM 0 H SER A 54 -14.274 -7.358 -1.122 1.00 0.00 H new ATOM 0 HA SER A 54 -14.129 -7.372 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.098 -9.733 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.451 -9.869 1.377 1.00 0.00 H new ATOM 0 HG SER A 54 -16.375 -9.668 0.097 1.00 0.00 H new ATOM 795 N ALA A 55 -11.326 -8.356 0.296 1.00 0.00 N ATOM 796 CA ALA A 55 -9.946 -8.722 0.590 1.00 0.00 C ATOM 797 C ALA A 55 -9.069 -7.483 0.735 1.00 0.00 C ATOM 798 O ALA A 55 -8.338 -7.339 1.716 1.00 0.00 O ATOM 799 CB ALA A 55 -9.399 -9.633 -0.499 1.00 0.00 C ATOM 0 H ALA A 55 -11.499 -8.109 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.932 -9.258 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.368 -9.899 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.003 -10.538 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.433 -9.115 -1.458 1.00 0.00 H new ATOM 805 N HIS A 56 -9.145 -6.591 -0.247 1.00 0.00 N ATOM 806 CA HIS A 56 -8.357 -5.364 -0.228 1.00 0.00 C ATOM 807 C HIS A 56 -9.039 -4.293 0.619 1.00 0.00 C ATOM 808 O HIS A 56 -10.135 -3.835 0.295 1.00 0.00 O ATOM 809 CB HIS A 56 -8.145 -4.846 -1.651 1.00 0.00 C ATOM 810 CG HIS A 56 -7.746 -5.914 -2.623 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.632 -6.844 -3.125 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.548 -6.195 -3.187 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.996 -7.652 -3.954 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.730 -7.279 -4.010 1.00 0.00 N ATOM 0 H HIS A 56 -9.744 -6.695 -1.066 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.388 -5.591 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.065 -4.375 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.377 -4.073 -1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.622 -5.665 -3.021 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.436 -8.477 -4.494 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.005 -7.724 -4.573 1.00 0.00 H new ATOM 822 N LYS A 57 -8.383 -3.899 1.705 1.00 0.00 N ATOM 823 CA LYS A 57 -8.925 -2.882 2.599 1.00 0.00 C ATOM 824 C LYS A 57 -7.954 -1.715 2.748 1.00 0.00 C ATOM 825 O LYS A 57 -6.880 -1.861 3.330 1.00 0.00 O ATOM 826 CB LYS A 57 -9.226 -3.488 3.972 1.00 0.00 C ATOM 827 CG LYS A 57 -9.682 -2.468 5.000 1.00 0.00 C ATOM 828 CD LYS A 57 -9.373 -2.926 6.415 1.00 0.00 C ATOM 829 CE LYS A 57 -10.285 -2.254 7.431 1.00 0.00 C ATOM 830 NZ LYS A 57 -10.094 -0.777 7.456 1.00 0.00 N ATOM 0 H LYS A 57 -7.475 -4.268 1.988 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.851 -2.507 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.997 -4.250 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.332 -3.990 4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.190 -1.514 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.754 -2.300 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.488 -4.008 6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.333 -2.700 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.324 -2.482 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.088 -2.663 8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.978 -0.318 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.335 -0.536 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.836 -0.444 6.505 1.00 0.00 H new ATOM 844 N MET A 58 -8.340 -0.558 2.219 1.00 0.00 N ATOM 845 CA MET A 58 -7.503 0.634 2.297 1.00 0.00 C ATOM 846 C MET A 58 -7.890 1.492 3.497 1.00 0.00 C ATOM 847 O MET A 58 -9.029 1.447 3.964 1.00 0.00 O ATOM 848 CB MET A 58 -7.624 1.452 1.010 1.00 0.00 C ATOM 849 CG MET A 58 -6.865 0.854 -0.164 1.00 0.00 C ATOM 850 SD MET A 58 -7.523 -0.746 -0.673 1.00 0.00 S ATOM 851 CE MET A 58 -7.564 -0.544 -2.453 1.00 0.00 C ATOM 0 H MET A 58 -9.226 -0.421 1.732 1.00 0.00 H new ATOM 0 HA MET A 58 -6.468 0.314 2.420 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.677 1.541 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.255 2.461 1.194 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.905 1.544 -1.007 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.815 0.742 0.106 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.950 -1.454 -2.914 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.211 0.295 -2.709 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.556 -0.350 -2.821 1.00 0.00 H new ATOM 861 N LEU A 59 -6.936 2.273 3.992 1.00 0.00 N ATOM 862 CA LEU A 59 -7.177 3.142 5.139 1.00 0.00 C ATOM 863 C LEU A 59 -6.693 4.561 4.858 1.00 0.00 C ATOM 864 O LEU A 59 -5.755 4.767 4.088 1.00 0.00 O ATOM 865 CB LEU A 59 -6.475 2.588 6.380 1.00 0.00 C ATOM 866 CG LEU A 59 -7.271 1.578 7.207 1.00 0.00 C ATOM 867 CD1 LEU A 59 -7.324 0.232 6.499 1.00 0.00 C ATOM 868 CD2 LEU A 59 -6.666 1.429 8.595 1.00 0.00 C ATOM 0 H LEU A 59 -5.989 2.322 3.617 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.251 3.173 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.544 2.117 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.207 3.425 7.025 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.290 1.949 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.894 -0.474 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.804 0.350 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.311 -0.146 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.246 0.706 9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.637 1.081 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.681 2.393 9.104 1.00 0.00 H new ATOM 880 N VAL A 60 -7.339 5.537 5.488 1.00 0.00 N ATOM 881 CA VAL A 60 -6.973 6.936 5.309 1.00 0.00 C ATOM 882 C VAL A 60 -6.896 7.660 6.648 1.00 0.00 C ATOM 883 O VAL A 60 -7.848 7.645 7.429 1.00 0.00 O ATOM 884 CB VAL A 60 -7.978 7.667 4.399 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.567 9.120 4.208 1.00 0.00 C ATOM 886 CG2 VAL A 60 -8.097 6.958 3.059 1.00 0.00 C ATOM 0 H VAL A 60 -8.119 5.384 6.127 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.991 6.948 4.836 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.956 7.651 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.289 9.620 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.538 9.620 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.579 9.161 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.811 7.488 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.124 6.941 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.442 5.936 3.217 1.00 0.00 H new ATOM 896 N ARG A 61 -5.757 8.294 6.908 1.00 0.00 N ATOM 897 CA ARG A 61 -5.556 9.024 8.154 1.00 0.00 C ATOM 898 C ARG A 61 -5.392 10.518 7.889 1.00 0.00 C ATOM 899 O ARG A 61 -4.741 10.919 6.925 1.00 0.00 O ATOM 900 CB ARG A 61 -4.326 8.488 8.890 1.00 0.00 C ATOM 901 CG ARG A 61 -4.590 7.208 9.665 1.00 0.00 C ATOM 902 CD ARG A 61 -3.315 6.403 9.863 1.00 0.00 C ATOM 903 NE ARG A 61 -2.530 6.890 10.994 1.00 0.00 N ATOM 904 CZ ARG A 61 -2.762 6.540 12.254 1.00 0.00 C ATOM 905 NH1 ARG A 61 -3.750 5.704 12.543 1.00 0.00 N ATOM 906 NH2 ARG A 61 -2.004 7.025 13.229 1.00 0.00 N ATOM 0 H ARG A 61 -4.960 8.317 6.272 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.438 8.878 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.531 8.307 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.964 9.251 9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.022 7.452 10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.324 6.604 9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.569 5.355 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.712 6.450 8.956 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.762 7.534 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.334 5.328 11.797 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.925 5.437 13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.242 7.667 13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.183 6.756 14.196 1.00 0.00 H new ATOM 920 N GLU A 62 -5.989 11.335 8.751 1.00 0.00 N ATOM 921 CA GLU A 62 -5.911 12.784 8.608 1.00 0.00 C ATOM 922 C GLU A 62 -4.464 13.236 8.429 1.00 0.00 C ATOM 923 O GLU A 62 -4.093 13.769 7.385 1.00 0.00 O ATOM 924 CB GLU A 62 -6.525 13.473 9.828 1.00 0.00 C ATOM 925 CG GLU A 62 -8.026 13.681 9.719 1.00 0.00 C ATOM 926 CD GLU A 62 -8.386 14.970 9.005 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.210 16.050 9.607 1.00 0.00 O ATOM 928 OE2 GLU A 62 -8.844 14.898 7.846 1.00 0.00 O ATOM 0 H GLU A 62 -6.531 11.019 9.555 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.474 13.066 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.313 12.877 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.042 14.440 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.468 12.839 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.461 13.690 10.718 1.00 0.00 H new ATOM 935 N ASN A 63 -3.651 13.018 9.458 1.00 0.00 N ATOM 936 CA ASN A 63 -2.245 13.403 9.416 1.00 0.00 C ATOM 937 C ASN A 63 -1.668 13.205 8.018 1.00 0.00 C ATOM 938 O ASN A 63 -0.947 14.060 7.506 1.00 0.00 O ATOM 939 CB ASN A 63 -1.441 12.588 10.432 1.00 0.00 C ATOM 940 CG ASN A 63 -1.996 12.708 11.838 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.530 11.746 12.390 1.00 0.00 O ATOM 942 ND2 ASN A 63 -1.872 13.893 12.424 1.00 0.00 N ATOM 0 H ASN A 63 -3.942 12.577 10.331 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.176 14.460 9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.439 11.540 10.133 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.404 12.923 10.424 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.227 14.034 13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.422 14.662 11.928 1.00 0.00 H new ATOM 949 N GLY A 64 -1.992 12.071 7.405 1.00 0.00 N ATOM 950 CA GLY A 64 -1.499 11.781 6.071 1.00 0.00 C ATOM 951 C GLY A 64 -0.711 10.487 6.013 1.00 0.00 C ATOM 952 O GLY A 64 0.474 10.488 5.681 1.00 0.00 O ATOM 0 H GLY A 64 -2.587 11.348 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.341 11.722 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.867 12.603 5.734 1.00 0.00 H new ATOM 956 N VAL A 65 -1.370 9.380 6.338 1.00 0.00 N ATOM 957 CA VAL A 65 -0.724 8.072 6.322 1.00 0.00 C ATOM 958 C VAL A 65 -1.656 7.006 5.758 1.00 0.00 C ATOM 959 O VAL A 65 -2.646 6.634 6.389 1.00 0.00 O ATOM 960 CB VAL A 65 -0.275 7.651 7.733 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.041 6.164 7.772 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.928 8.471 8.176 1.00 0.00 C ATOM 0 H VAL A 65 -2.351 9.362 6.616 1.00 0.00 H new ATOM 0 HA VAL A 65 0.153 8.160 5.681 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.093 7.843 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.357 5.885 8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.849 5.596 7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.842 5.944 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.232 8.160 9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.752 8.313 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.663 9.528 8.190 1.00 0.00 H new ATOM 972 N HIS A 66 -1.332 6.516 4.565 1.00 0.00 N ATOM 973 CA HIS A 66 -2.140 5.490 3.915 1.00 0.00 C ATOM 974 C HIS A 66 -1.581 4.099 4.197 1.00 0.00 C ATOM 975 O HIS A 66 -0.392 3.942 4.473 1.00 0.00 O ATOM 976 CB HIS A 66 -2.195 5.734 2.406 1.00 0.00 C ATOM 977 CG HIS A 66 -3.221 6.748 2.001 1.00 0.00 C ATOM 978 ND1 HIS A 66 -4.413 6.411 1.394 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.228 8.096 2.119 1.00 0.00 C ATOM 980 CE1 HIS A 66 -5.108 7.509 1.156 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.412 8.545 1.587 1.00 0.00 N ATOM 0 H HIS A 66 -0.516 6.813 4.029 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.150 5.546 4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.214 6.064 2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.408 4.792 1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.448 8.705 2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.081 7.552 0.688 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.706 9.520 1.534 1.00 0.00 H new ATOM 989 N SER A 67 -2.447 3.093 4.126 1.00 0.00 N ATOM 990 CA SER A 67 -2.040 1.715 4.378 1.00 0.00 C ATOM 991 C SER A 67 -2.934 0.738 3.621 1.00 0.00 C ATOM 992 O SER A 67 -4.153 0.904 3.570 1.00 0.00 O ATOM 993 CB SER A 67 -2.090 1.413 5.877 1.00 0.00 C ATOM 994 OG SER A 67 -1.031 2.059 6.563 1.00 0.00 O ATOM 0 H SER A 67 -3.434 3.206 3.896 1.00 0.00 H new ATOM 0 HA SER A 67 -1.016 1.593 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.046 1.741 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.028 0.337 6.037 1.00 0.00 H new ATOM 0 HG SER A 67 -0.647 2.756 5.991 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.319 -0.282 3.032 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.057 -1.288 2.277 1.00 0.00 C ATOM 1002 C LEU A 68 -3.099 -2.613 3.031 1.00 0.00 C ATOM 1003 O LEU A 68 -2.078 -3.284 3.183 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.419 -1.491 0.901 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.194 -2.377 -0.074 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.547 -1.760 -0.397 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.391 -2.600 -1.347 1.00 0.00 C ATOM 0 H LEU A 68 -1.311 -0.434 3.063 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.079 -0.932 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.279 -0.513 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.428 -1.921 1.042 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.362 -3.344 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.084 -2.405 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.126 -1.653 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.401 -0.780 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.959 -3.233 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.191 -1.640 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.447 -3.087 -1.101 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.286 -2.984 3.499 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.461 -4.231 4.233 1.00 0.00 C ATOM 1021 C ILE A 69 -5.130 -5.291 3.365 1.00 0.00 C ATOM 1022 O ILE A 69 -6.321 -5.203 3.067 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.302 -4.020 5.506 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.492 -3.262 6.560 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.775 -5.358 6.056 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.347 -2.600 7.618 1.00 0.00 C ATOM 0 H ILE A 69 -5.140 -2.439 3.383 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.466 -4.573 4.517 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.178 -3.424 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.802 -3.954 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.888 -2.502 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.368 -5.193 6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.385 -5.864 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.912 -5.977 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.706 -2.081 8.331 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.019 -1.883 7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.932 -3.358 8.140 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.356 -6.294 2.965 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.874 -7.374 2.134 1.00 0.00 C ATOM 1040 C ILE A 70 -5.074 -8.647 2.948 1.00 0.00 C ATOM 1041 O ILE A 70 -4.152 -9.124 3.609 1.00 0.00 O ATOM 1042 CB ILE A 70 -3.933 -7.676 0.953 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.582 -6.386 0.208 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.574 -8.681 0.008 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.369 -6.515 -0.687 1.00 0.00 C ATOM 0 H ILE A 70 -3.368 -6.381 3.203 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.836 -7.039 1.746 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.013 -8.110 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.437 -6.080 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.404 -5.593 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.897 -8.884 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.777 -9.607 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.508 -8.273 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.180 -5.563 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.502 -6.790 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.550 -7.285 -1.437 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.285 -9.194 2.894 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.605 -10.413 3.627 1.00 0.00 C ATOM 1059 C GLU A 71 -7.996 -10.921 3.256 1.00 0.00 C ATOM 1060 O GLU A 71 -8.994 -10.208 3.363 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.527 -10.164 5.134 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.157 -11.401 5.937 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.260 -12.442 5.945 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.425 -12.071 6.197 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -6.956 -13.628 5.698 1.00 0.00 O ATOM 0 H GLU A 71 -7.059 -8.812 2.351 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.874 -11.173 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.792 -9.382 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.490 -9.789 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.250 -11.841 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.930 -11.110 6.962 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.064 -12.183 2.808 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.883 -13.041 2.676 1.00 0.00 C ATOM 1074 C PRO A 72 -5.961 -12.588 1.549 1.00 0.00 C ATOM 1075 O PRO A 72 -6.189 -11.551 0.926 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.477 -14.416 2.360 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.798 -14.124 1.735 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.300 -12.870 2.396 1.00 0.00 C ATOM 0 HA PRO A 72 -6.265 -13.024 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.834 -14.979 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.590 -15.015 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.698 -13.985 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.493 -14.950 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.888 -12.261 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.939 -13.094 3.250 1.00 0.00 H new ATOM 1086 N VAL A 73 -4.919 -13.372 1.292 1.00 0.00 N ATOM 1087 CA VAL A 73 -3.963 -13.052 0.239 1.00 0.00 C ATOM 1088 C VAL A 73 -3.940 -14.137 -0.832 1.00 0.00 C ATOM 1089 O VAL A 73 -4.275 -15.293 -0.568 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.541 -12.875 0.806 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.508 -12.961 -0.307 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.426 -11.555 1.552 1.00 0.00 C ATOM 0 H VAL A 73 -4.715 -14.233 1.799 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.288 -12.112 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.346 -13.682 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.510 -12.834 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.576 -13.935 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.696 -12.176 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.415 -11.446 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.640 -10.732 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.140 -11.539 2.376 1.00 0.00 H new ATOM 1102 N THR A 74 -3.542 -13.759 -2.042 1.00 0.00 N ATOM 1103 CA THR A 74 -3.476 -14.699 -3.154 1.00 0.00 C ATOM 1104 C THR A 74 -2.178 -14.535 -3.937 1.00 0.00 C ATOM 1105 O THR A 74 -1.328 -13.718 -3.583 1.00 0.00 O ATOM 1106 CB THR A 74 -4.667 -14.519 -4.113 1.00 0.00 C ATOM 1107 OG1 THR A 74 -4.646 -13.204 -4.679 1.00 0.00 O ATOM 1108 CG2 THR A 74 -5.985 -14.744 -3.388 1.00 0.00 C ATOM 0 H THR A 74 -3.260 -12.807 -2.277 1.00 0.00 H new ATOM 0 HA THR A 74 -3.513 -15.700 -2.724 1.00 0.00 H new ATOM 0 HB THR A 74 -4.578 -15.258 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.557 -12.541 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.812 -14.611 -4.086 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.010 -15.756 -2.984 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.079 -14.026 -2.573 1.00 0.00 H new ATOM 1116 N SER A 75 -2.032 -15.316 -5.002 1.00 0.00 N ATOM 1117 CA SER A 75 -0.836 -15.259 -5.834 1.00 0.00 C ATOM 1118 C SER A 75 -0.861 -14.031 -6.739 1.00 0.00 C ATOM 1119 O SER A 75 0.177 -13.581 -7.222 1.00 0.00 O ATOM 1120 CB SER A 75 -0.716 -16.528 -6.680 1.00 0.00 C ATOM 1121 OG SER A 75 0.615 -16.719 -7.127 1.00 0.00 O ATOM 0 H SER A 75 -2.727 -15.996 -5.309 1.00 0.00 H new ATOM 0 HA SER A 75 0.030 -15.186 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.034 -17.391 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.385 -16.461 -7.538 1.00 0.00 H new ATOM 0 HG SER A 75 0.665 -17.537 -7.664 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.056 -13.495 -6.964 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.219 -12.320 -7.812 1.00 0.00 C ATOM 1129 C ARG A 76 -1.849 -11.048 -7.055 1.00 0.00 C ATOM 1130 O ARG A 76 -1.435 -10.055 -7.654 1.00 0.00 O ATOM 1131 CB ARG A 76 -3.660 -12.225 -8.317 1.00 0.00 C ATOM 1132 CG ARG A 76 -3.813 -11.365 -9.561 1.00 0.00 C ATOM 1133 CD ARG A 76 -5.265 -10.978 -9.795 1.00 0.00 C ATOM 1134 NE ARG A 76 -5.385 -9.721 -10.528 1.00 0.00 N ATOM 1135 CZ ARG A 76 -6.537 -9.247 -10.990 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -7.661 -9.922 -10.796 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -6.565 -8.094 -11.648 1.00 0.00 N ATOM 0 H ARG A 76 -2.925 -13.856 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.548 -12.423 -8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.028 -13.228 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.288 -11.818 -7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.207 -10.465 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.435 -11.907 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.766 -11.771 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.775 -10.889 -8.836 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.538 -9.177 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.643 -10.808 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.544 -9.556 -11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.702 -7.572 -11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.450 -7.730 -12.003 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.004 -11.084 -5.736 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.686 -9.935 -4.896 1.00 0.00 C ATOM 1153 C ASP A 77 -0.244 -9.485 -5.114 1.00 0.00 C ATOM 1154 O ASP A 77 0.072 -8.302 -4.993 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.910 -10.275 -3.422 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.365 -10.157 -3.016 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -3.993 -9.130 -3.348 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -3.877 -11.093 -2.366 1.00 0.00 O ATOM 0 H ASP A 77 -2.348 -11.897 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.350 -9.117 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.563 -11.290 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.308 -9.610 -2.803 1.00 0.00 H new ATOM 1163 N ALA A 78 0.625 -10.438 -5.435 1.00 0.00 N ATOM 1164 CA ALA A 78 2.033 -10.140 -5.670 1.00 0.00 C ATOM 1165 C ALA A 78 2.215 -9.317 -6.941 1.00 0.00 C ATOM 1166 O ALA A 78 1.672 -9.653 -7.993 1.00 0.00 O ATOM 1167 CB ALA A 78 2.838 -11.428 -5.753 1.00 0.00 C ATOM 0 H ALA A 78 0.379 -11.423 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 78 2.399 -9.549 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.887 -11.191 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.742 -11.978 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.462 -12.040 -6.573 1.00 0.00 H new ATOM 1173 N GLY A 79 2.981 -8.236 -6.836 1.00 0.00 N ATOM 1174 CA GLY A 79 3.220 -7.381 -7.985 1.00 0.00 C ATOM 1175 C GLY A 79 3.979 -6.120 -7.622 1.00 0.00 C ATOM 1176 O GLY A 79 4.637 -6.062 -6.583 1.00 0.00 O ATOM 0 H GLY A 79 3.441 -7.937 -5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.782 -7.936 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.266 -7.110 -8.437 1.00 0.00 H new ATOM 1180 N ILE A 80 3.889 -5.110 -8.480 1.00 0.00 N ATOM 1181 CA ILE A 80 4.573 -3.845 -8.243 1.00 0.00 C ATOM 1182 C ILE A 80 3.580 -2.735 -7.915 1.00 0.00 C ATOM 1183 O ILE A 80 3.045 -2.082 -8.811 1.00 0.00 O ATOM 1184 CB ILE A 80 5.413 -3.422 -9.464 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.488 -4.471 -9.758 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.045 -2.059 -9.225 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.413 -4.731 -8.591 1.00 0.00 C ATOM 0 H ILE A 80 3.350 -5.143 -9.345 1.00 0.00 H new ATOM 0 HA ILE A 80 5.235 -4.000 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 80 4.757 -3.349 -10.331 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.004 -5.405 -10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.079 -4.144 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.635 -1.774 -10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.262 -1.319 -9.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.691 -2.106 -8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.149 -5.485 -8.871 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.925 -3.808 -8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.833 -5.088 -7.740 1.00 0.00 H new ATOM 1199 N TYR A 81 3.340 -2.527 -6.626 1.00 0.00 N ATOM 1200 CA TYR A 81 2.410 -1.496 -6.178 1.00 0.00 C ATOM 1201 C TYR A 81 3.026 -0.108 -6.321 1.00 0.00 C ATOM 1202 O TYR A 81 3.924 0.267 -5.566 1.00 0.00 O ATOM 1203 CB TYR A 81 2.006 -1.740 -4.723 1.00 0.00 C ATOM 1204 CG TYR A 81 1.123 -2.953 -4.535 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.672 -4.213 -4.333 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.262 -2.838 -4.560 1.00 0.00 C ATOM 1207 CE1 TYR A 81 0.868 -5.323 -4.162 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -1.073 -3.943 -4.388 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.504 -5.183 -4.190 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.308 -6.287 -4.018 1.00 0.00 O ATOM 0 H TYR A 81 3.776 -3.058 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 81 1.521 -1.546 -6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.906 -1.859 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.485 -0.860 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.746 -4.327 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.712 -1.869 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.311 -6.296 -4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.147 -3.836 -4.409 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.869 -7.075 -4.401 1.00 0.00 H new ATOM 1220 N THR A 82 2.536 0.653 -7.294 1.00 0.00 N ATOM 1221 CA THR A 82 3.037 2.000 -7.538 1.00 0.00 C ATOM 1222 C THR A 82 2.012 3.051 -7.127 1.00 0.00 C ATOM 1223 O THR A 82 0.859 3.008 -7.558 1.00 0.00 O ATOM 1224 CB THR A 82 3.400 2.205 -9.021 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.228 1.129 -9.476 1.00 0.00 O ATOM 1226 CG2 THR A 82 4.122 3.528 -9.223 1.00 0.00 C ATOM 0 H THR A 82 1.792 0.359 -7.927 1.00 0.00 H new ATOM 0 HA THR A 82 3.936 2.117 -6.933 1.00 0.00 H new ATOM 0 HB THR A 82 2.476 2.221 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.162 1.316 -9.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.368 3.651 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.477 4.347 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.039 3.536 -8.633 1.00 0.00 H new ATOM 1234 N CYS A 83 2.439 3.992 -6.293 1.00 0.00 N ATOM 1235 CA CYS A 83 1.556 5.055 -5.824 1.00 0.00 C ATOM 1236 C CYS A 83 2.044 6.418 -6.305 1.00 0.00 C ATOM 1237 O CYS A 83 3.235 6.611 -6.551 1.00 0.00 O ATOM 1238 CB CYS A 83 1.472 5.040 -4.297 1.00 0.00 C ATOM 1239 SG CYS A 83 0.209 3.926 -3.639 1.00 0.00 S ATOM 0 H CYS A 83 3.390 4.041 -5.928 1.00 0.00 H new ATOM 0 HA CYS A 83 0.563 4.878 -6.237 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.442 4.751 -3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.269 6.051 -3.945 1.00 0.00 H new ATOM 0 HG CYS A 83 0.781 2.879 -3.123 1.00 0.00 H new ATOM 1245 N ILE A 84 1.115 7.359 -6.439 1.00 0.00 N ATOM 1246 CA ILE A 84 1.450 8.704 -6.891 1.00 0.00 C ATOM 1247 C ILE A 84 0.764 9.760 -6.032 1.00 0.00 C ATOM 1248 O ILE A 84 -0.440 9.987 -6.152 1.00 0.00 O ATOM 1249 CB ILE A 84 1.052 8.918 -8.363 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.704 7.855 -9.250 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.449 10.314 -8.821 1.00 0.00 C ATOM 1252 CD1 ILE A 84 0.863 6.609 -9.417 1.00 0.00 C ATOM 0 H ILE A 84 0.125 7.215 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 84 2.531 8.809 -6.796 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.030 8.822 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.902 8.284 -10.232 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.668 7.578 -8.823 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.161 10.450 -9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.943 11.057 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.528 10.436 -8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.387 5.899 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.686 6.156 -8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.091 6.873 -9.873 1.00 0.00 H new ATOM 1264 N ALA A 85 1.538 10.404 -5.165 1.00 0.00 N ATOM 1265 CA ALA A 85 1.006 11.440 -4.288 1.00 0.00 C ATOM 1266 C ALA A 85 1.087 12.812 -4.947 1.00 0.00 C ATOM 1267 O ALA A 85 2.164 13.400 -5.054 1.00 0.00 O ATOM 1268 CB ALA A 85 1.753 11.444 -2.962 1.00 0.00 C ATOM 0 H ALA A 85 2.536 10.227 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.044 11.218 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.345 12.222 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.639 10.474 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.811 11.638 -3.141 1.00 0.00 H new ATOM 1274 N THR A 86 -0.060 13.320 -5.389 1.00 0.00 N ATOM 1275 CA THR A 86 -0.119 14.623 -6.040 1.00 0.00 C ATOM 1276 C THR A 86 -0.856 15.637 -5.173 1.00 0.00 C ATOM 1277 O THR A 86 -2.066 15.535 -4.974 1.00 0.00 O ATOM 1278 CB THR A 86 -0.814 14.535 -7.411 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.498 13.288 -8.042 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.387 15.686 -8.309 1.00 0.00 C ATOM 0 H THR A 86 -0.961 12.848 -5.308 1.00 0.00 H new ATOM 0 HA THR A 86 0.910 14.952 -6.184 1.00 0.00 H new ATOM 0 HB THR A 86 -1.891 14.599 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.045 13.454 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.891 15.603 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.655 16.632 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.692 15.649 -8.460 1.00 0.00 H new ATOM 1288 N ASN A 87 -0.119 16.617 -4.660 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.704 17.651 -3.814 1.00 0.00 C ATOM 1290 C ASN A 87 -0.524 19.031 -4.439 1.00 0.00 C ATOM 1291 O ASN A 87 -0.023 19.157 -5.557 1.00 0.00 O ATOM 1292 CB ASN A 87 -0.067 17.622 -2.423 1.00 0.00 C ATOM 1293 CG ASN A 87 1.154 18.516 -2.328 1.00 0.00 C ATOM 1294 OD1 ASN A 87 1.937 18.619 -3.272 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.321 19.168 -1.183 1.00 0.00 N ATOM 0 H ASN A 87 0.884 16.717 -4.815 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.771 17.449 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.803 17.936 -1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.215 16.598 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.124 19.785 -1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.646 19.052 -0.427 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.936 20.063 -3.710 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.822 21.434 -4.193 1.00 0.00 C ATOM 1304 C ARG A 88 0.623 21.763 -4.557 1.00 0.00 C ATOM 1305 O ARG A 88 0.886 22.426 -5.560 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.328 22.414 -3.134 1.00 0.00 C ATOM 1307 CG ARG A 88 -2.835 22.613 -3.159 1.00 0.00 C ATOM 1308 CD ARG A 88 -3.269 23.430 -4.366 1.00 0.00 C ATOM 1309 NE ARG A 88 -3.145 24.866 -4.128 1.00 0.00 N ATOM 1310 CZ ARG A 88 -3.908 25.538 -3.273 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -4.845 24.908 -2.579 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -3.733 26.844 -3.112 1.00 0.00 N ATOM 0 H ARG A 88 -1.352 19.976 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.435 21.530 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.034 22.054 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.840 23.378 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.331 21.643 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.152 23.115 -2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.664 23.152 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.304 23.191 -4.612 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.434 25.381 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.982 23.905 -2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.429 25.427 -1.923 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.013 27.332 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.319 27.360 -2.456 1.00 0.00 H new ATOM 1326 N ALA A 89 1.556 21.296 -3.734 1.00 0.00 N ATOM 1327 CA ALA A 89 2.974 21.539 -3.969 1.00 0.00 C ATOM 1328 C ALA A 89 3.419 20.944 -5.300 1.00 0.00 C ATOM 1329 O ALA A 89 3.824 21.666 -6.210 1.00 0.00 O ATOM 1330 CB ALA A 89 3.804 20.968 -2.829 1.00 0.00 C ATOM 0 H ALA A 89 1.355 20.747 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 89 3.130 22.617 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.861 21.157 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.512 21.444 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.635 19.894 -2.758 1.00 0.00 H new ATOM 1336 N GLY A 90 3.343 19.621 -5.407 1.00 0.00 N ATOM 1337 CA GLY A 90 3.742 18.951 -6.631 1.00 0.00 C ATOM 1338 C GLY A 90 3.191 17.542 -6.727 1.00 0.00 C ATOM 1339 O GLY A 90 1.993 17.325 -6.553 1.00 0.00 O ATOM 0 H GLY A 90 3.012 19.001 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.399 19.531 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.830 18.917 -6.685 1.00 0.00 H new ATOM 1343 N GLN A 91 4.068 16.583 -7.006 1.00 0.00 N ATOM 1344 CA GLN A 91 3.662 15.188 -7.127 1.00 0.00 C ATOM 1345 C GLN A 91 4.837 14.253 -6.861 1.00 0.00 C ATOM 1346 O GLN A 91 5.983 14.578 -7.169 1.00 0.00 O ATOM 1347 CB GLN A 91 3.088 14.921 -8.520 1.00 0.00 C ATOM 1348 CG GLN A 91 2.909 13.444 -8.832 1.00 0.00 C ATOM 1349 CD GLN A 91 2.216 13.208 -10.159 1.00 0.00 C ATOM 1350 OE1 GLN A 91 1.061 13.591 -10.347 1.00 0.00 O ATOM 1351 NE2 GLN A 91 2.920 12.573 -11.090 1.00 0.00 N ATOM 0 H GLN A 91 5.064 16.747 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 91 2.892 14.995 -6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.124 15.422 -8.609 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.747 15.364 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.885 12.958 -8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.330 12.976 -8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.874 12.273 -10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.506 12.386 -12.003 1.00 0.00 H new ATOM 1360 N ASN A 92 4.544 13.091 -6.287 1.00 0.00 N ATOM 1361 CA ASN A 92 5.577 12.109 -5.978 1.00 0.00 C ATOM 1362 C ASN A 92 5.141 10.709 -6.403 1.00 0.00 C ATOM 1363 O ASN A 92 3.979 10.485 -6.739 1.00 0.00 O ATOM 1364 CB ASN A 92 5.894 12.124 -4.482 1.00 0.00 C ATOM 1365 CG ASN A 92 7.283 11.597 -4.179 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.097 11.407 -5.083 1.00 0.00 O ATOM 1367 ND2 ASN A 92 7.560 11.357 -2.903 1.00 0.00 N ATOM 0 H ASN A 92 3.600 12.806 -6.026 1.00 0.00 H new ATOM 0 HA ASN A 92 6.475 12.376 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.805 13.143 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.156 11.522 -3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.478 11.000 -2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.854 11.529 -2.187 1.00 0.00 H new ATOM 1374 N SER A 93 6.083 9.771 -6.384 1.00 0.00 N ATOM 1375 CA SER A 93 5.798 8.394 -6.770 1.00 0.00 C ATOM 1376 C SER A 93 6.764 7.429 -6.091 1.00 0.00 C ATOM 1377 O SER A 93 7.834 7.826 -5.629 1.00 0.00 O ATOM 1378 CB SER A 93 5.887 8.239 -8.290 1.00 0.00 C ATOM 1379 OG SER A 93 7.183 8.569 -8.761 1.00 0.00 O ATOM 0 H SER A 93 7.050 9.940 -6.106 1.00 0.00 H new ATOM 0 HA SER A 93 4.785 8.154 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.645 7.213 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.148 8.882 -8.768 1.00 0.00 H new ATOM 0 HG SER A 93 7.215 8.460 -9.734 1.00 0.00 H new ATOM 1385 N PHE A 94 6.379 6.158 -6.035 1.00 0.00 N ATOM 1386 CA PHE A 94 7.210 5.134 -5.412 1.00 0.00 C ATOM 1387 C PHE A 94 6.655 3.740 -5.689 1.00 0.00 C ATOM 1388 O PHE A 94 5.452 3.506 -5.575 1.00 0.00 O ATOM 1389 CB PHE A 94 7.300 5.369 -3.903 1.00 0.00 C ATOM 1390 CG PHE A 94 6.204 4.699 -3.125 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.281 3.350 -2.816 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.097 5.417 -2.703 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.273 2.731 -2.101 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.086 4.803 -1.988 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.175 3.458 -1.685 1.00 0.00 C ATOM 0 H PHE A 94 5.497 5.813 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 94 8.209 5.200 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.263 5.007 -3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.270 6.441 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.138 2.776 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.023 6.469 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.344 1.679 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.227 5.374 -1.667 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.388 2.976 -1.124 1.00 0.00 H new ATOM 1405 N SER A 95 7.540 2.819 -6.053 1.00 0.00 N ATOM 1406 CA SER A 95 7.139 1.449 -6.351 1.00 0.00 C ATOM 1407 C SER A 95 7.662 0.487 -5.289 1.00 0.00 C ATOM 1408 O SER A 95 8.617 0.792 -4.573 1.00 0.00 O ATOM 1409 CB SER A 95 7.654 1.032 -7.730 1.00 0.00 C ATOM 1410 OG SER A 95 6.806 1.513 -8.758 1.00 0.00 O ATOM 0 H SER A 95 8.540 2.996 -6.149 1.00 0.00 H new ATOM 0 HA SER A 95 6.050 1.408 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.663 1.417 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.717 -0.055 -7.785 1.00 0.00 H new ATOM 0 HG SER A 95 7.158 1.234 -9.629 1.00 0.00 H new ATOM 1416 N LEU A 96 7.029 -0.677 -5.191 1.00 0.00 N ATOM 1417 CA LEU A 96 7.429 -1.686 -4.216 1.00 0.00 C ATOM 1418 C LEU A 96 7.125 -3.090 -4.730 1.00 0.00 C ATOM 1419 O LEU A 96 6.236 -3.278 -5.560 1.00 0.00 O ATOM 1420 CB LEU A 96 6.712 -1.451 -2.886 1.00 0.00 C ATOM 1421 CG LEU A 96 5.344 -2.117 -2.734 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.497 -3.534 -2.202 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.450 -1.295 -1.817 1.00 0.00 C ATOM 0 H LEU A 96 6.237 -0.945 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 96 8.505 -1.600 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.357 -1.804 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.588 -0.377 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 96 4.874 -2.168 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.513 -3.993 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.100 -4.120 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.987 -3.506 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.481 -1.784 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.914 -1.212 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.314 -0.299 -2.239 1.00 0.00 H new ATOM 1435 N GLU A 97 7.868 -4.072 -4.228 1.00 0.00 N ATOM 1436 CA GLU A 97 7.676 -5.459 -4.636 1.00 0.00 C ATOM 1437 C GLU A 97 7.051 -6.276 -3.508 1.00 0.00 C ATOM 1438 O GLU A 97 7.235 -5.970 -2.329 1.00 0.00 O ATOM 1439 CB GLU A 97 9.010 -6.081 -5.052 1.00 0.00 C ATOM 1440 CG GLU A 97 8.892 -7.523 -5.515 1.00 0.00 C ATOM 1441 CD GLU A 97 9.973 -7.909 -6.505 1.00 0.00 C ATOM 1442 OE1 GLU A 97 10.381 -7.041 -7.306 1.00 0.00 O ATOM 1443 OE2 GLU A 97 10.412 -9.078 -6.480 1.00 0.00 O ATOM 0 H GLU A 97 8.607 -3.933 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 97 6.997 -5.469 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.444 -5.485 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.701 -6.034 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.945 -8.184 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.915 -7.675 -5.973 1.00 0.00 H new ATOM 1450 N LEU A 98 6.312 -7.315 -3.878 1.00 0.00 N ATOM 1451 CA LEU A 98 5.659 -8.177 -2.899 1.00 0.00 C ATOM 1452 C LEU A 98 5.655 -9.629 -3.368 1.00 0.00 C ATOM 1453 O LEU A 98 5.102 -9.951 -4.419 1.00 0.00 O ATOM 1454 CB LEU A 98 4.225 -7.706 -2.651 1.00 0.00 C ATOM 1455 CG LEU A 98 3.272 -8.741 -2.054 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.718 -9.133 -0.654 1.00 0.00 C ATOM 1457 CD2 LEU A 98 1.848 -8.205 -2.031 1.00 0.00 C ATOM 0 H LEU A 98 6.150 -7.582 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 98 6.221 -8.117 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.257 -6.844 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.808 -7.361 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 98 3.294 -9.631 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.027 -9.871 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.720 -9.559 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.727 -8.250 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.184 -8.956 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.810 -7.299 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.529 -7.976 -3.048 1.00 0.00 H new ATOM 1469 N VAL A 99 6.274 -10.502 -2.580 1.00 0.00 N ATOM 1470 CA VAL A 99 6.340 -11.920 -2.912 1.00 0.00 C ATOM 1471 C VAL A 99 5.319 -12.720 -2.111 1.00 0.00 C ATOM 1472 O VAL A 99 5.079 -12.441 -0.936 1.00 0.00 O ATOM 1473 CB VAL A 99 7.745 -12.494 -2.650 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.770 -13.990 -2.923 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.781 -11.771 -3.498 1.00 0.00 C ATOM 0 H VAL A 99 6.737 -10.252 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 99 6.113 -12.007 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 99 7.994 -12.337 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.771 -14.378 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.056 -14.491 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.501 -14.175 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.768 -12.189 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.538 -11.896 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.779 -10.710 -3.248 1.00 0.00 H new ATOM 1485 N VAL A 100 4.719 -13.716 -2.754 1.00 0.00 N ATOM 1486 CA VAL A 100 3.724 -14.559 -2.101 1.00 0.00 C ATOM 1487 C VAL A 100 3.981 -16.034 -2.386 1.00 0.00 C ATOM 1488 O VAL A 100 4.167 -16.431 -3.536 1.00 0.00 O ATOM 1489 CB VAL A 100 2.298 -14.200 -2.558 1.00 0.00 C ATOM 1490 CG1 VAL A 100 2.213 -14.176 -4.076 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.290 -15.179 -1.974 1.00 0.00 C ATOM 0 H VAL A 100 4.904 -13.959 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 100 3.811 -14.379 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 100 2.057 -13.203 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.198 -13.920 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.907 -13.432 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.473 -15.158 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.287 -14.911 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.526 -16.188 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.333 -15.140 -0.886 1.00 0.00 H new ATOM 1501 N ALA A 101 3.989 -16.842 -1.331 1.00 0.00 N ATOM 1502 CA ALA A 101 4.221 -18.275 -1.468 1.00 0.00 C ATOM 1503 C ALA A 101 2.903 -19.040 -1.534 1.00 0.00 C ATOM 1504 O ALA A 101 2.071 -18.940 -0.633 1.00 0.00 O ATOM 1505 CB ALA A 101 5.072 -18.785 -0.315 1.00 0.00 C ATOM 0 H ALA A 101 3.838 -16.529 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 101 4.757 -18.444 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.237 -19.856 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.032 -18.268 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.558 -18.597 0.628 1.00 0.00 H new ATOM 1511 N ALA A 102 2.721 -19.804 -2.606 1.00 0.00 N ATOM 1512 CA ALA A 102 1.505 -20.587 -2.788 1.00 0.00 C ATOM 1513 C ALA A 102 1.350 -21.625 -1.683 1.00 0.00 C ATOM 1514 O ALA A 102 2.334 -22.188 -1.203 1.00 0.00 O ATOM 1515 CB ALA A 102 1.511 -21.262 -4.152 1.00 0.00 C ATOM 0 H ALA A 102 3.400 -19.897 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 102 0.654 -19.908 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.597 -21.843 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.566 -20.504 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.374 -21.923 -4.227 1.00 0.00 H new ATOM 1521 N LYS A 103 0.108 -21.875 -1.282 1.00 0.00 N ATOM 1522 CA LYS A 103 -0.177 -22.846 -0.232 1.00 0.00 C ATOM 1523 C LYS A 103 0.634 -24.122 -0.437 1.00 0.00 C ATOM 1524 O LYS A 103 1.142 -24.705 0.520 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.671 -23.177 -0.207 1.00 0.00 C ATOM 1526 CG LYS A 103 -2.156 -23.893 -1.456 1.00 0.00 C ATOM 1527 CD LYS A 103 -2.111 -22.984 -2.673 1.00 0.00 C ATOM 1528 CE LYS A 103 -2.967 -23.528 -3.807 1.00 0.00 C ATOM 1529 NZ LYS A 103 -4.421 -23.425 -3.503 1.00 0.00 N ATOM 0 H LYS A 103 -0.718 -21.418 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 103 0.107 -22.405 0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.882 -23.798 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.237 -22.254 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.538 -24.773 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.176 -24.246 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.459 -21.988 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.080 -22.879 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.748 -22.979 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.707 -24.571 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.967 -23.511 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.694 -24.188 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.619 -22.504 -3.062 1.00 0.00 H new ATOM 1543 N GLU A 104 0.750 -24.549 -1.691 1.00 0.00 N ATOM 1544 CA GLU A 104 1.500 -25.755 -2.020 1.00 0.00 C ATOM 1545 C GLU A 104 2.812 -25.408 -2.717 1.00 0.00 C ATOM 1546 O GLU A 104 2.817 -24.776 -3.773 1.00 0.00 O ATOM 1547 CB GLU A 104 0.664 -26.675 -2.912 1.00 0.00 C ATOM 1548 CG GLU A 104 -0.365 -27.493 -2.149 1.00 0.00 C ATOM 1549 CD GLU A 104 -1.401 -28.123 -3.059 1.00 0.00 C ATOM 1550 OE1 GLU A 104 -2.190 -27.371 -3.668 1.00 0.00 O ATOM 1551 OE2 GLU A 104 -1.424 -29.367 -3.162 1.00 0.00 O ATOM 0 H GLU A 104 0.334 -24.078 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 104 1.730 -26.273 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.153 -26.073 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.330 -27.352 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.143 -28.276 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.866 -26.853 -1.423 1.00 0.00 H new ATOM 1558 N SER A 105 3.923 -25.825 -2.118 1.00 0.00 N ATOM 1559 CA SER A 105 5.241 -25.554 -2.678 1.00 0.00 C ATOM 1560 C SER A 105 5.480 -26.387 -3.934 1.00 0.00 C ATOM 1561 O SER A 105 4.943 -27.485 -4.075 1.00 0.00 O ATOM 1562 CB SER A 105 6.329 -25.848 -1.643 1.00 0.00 C ATOM 1563 OG SER A 105 7.621 -25.692 -2.203 1.00 0.00 O ATOM 0 H SER A 105 3.936 -26.352 -1.245 1.00 0.00 H new ATOM 0 HA SER A 105 5.283 -24.499 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.215 -25.178 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.212 -26.864 -1.267 1.00 0.00 H new ATOM 0 HG SER A 105 8.298 -25.884 -1.521 1.00 0.00 H new ATOM 1569 N GLY A 106 6.289 -25.855 -4.845 1.00 0.00 N ATOM 1570 CA GLY A 106 6.585 -26.562 -6.077 1.00 0.00 C ATOM 1571 C GLY A 106 7.181 -27.934 -5.830 1.00 0.00 C ATOM 1572 O GLY A 106 6.990 -28.536 -4.774 1.00 0.00 O ATOM 0 H GLY A 106 6.745 -24.947 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.671 -26.666 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.279 -25.970 -6.674 1.00 0.00 H new ATOM 1576 N PRO A 107 7.922 -28.449 -6.823 1.00 0.00 N ATOM 1577 CA PRO A 107 8.562 -29.764 -6.732 1.00 0.00 C ATOM 1578 C PRO A 107 9.713 -29.781 -5.733 1.00 0.00 C ATOM 1579 O PRO A 107 10.226 -28.732 -5.344 1.00 0.00 O ATOM 1580 CB PRO A 107 9.083 -30.004 -8.152 1.00 0.00 C ATOM 1581 CG PRO A 107 9.267 -28.640 -8.723 1.00 0.00 C ATOM 1582 CD PRO A 107 8.192 -27.786 -8.110 1.00 0.00 C ATOM 0 HA PRO A 107 7.870 -30.530 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.021 -30.559 -8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.375 -30.587 -8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.257 -28.249 -8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 107 9.180 -28.657 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.526 -26.758 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.302 -27.749 -8.738 1.00 0.00 H new ATOM 1590 N SER A 108 10.116 -30.979 -5.320 1.00 0.00 N ATOM 1591 CA SER A 108 11.205 -31.132 -4.363 1.00 0.00 C ATOM 1592 C SER A 108 12.513 -30.597 -4.938 1.00 0.00 C ATOM 1593 O SER A 108 12.684 -30.523 -6.155 1.00 0.00 O ATOM 1594 CB SER A 108 11.368 -32.603 -3.975 1.00 0.00 C ATOM 1595 OG SER A 108 10.137 -33.156 -3.544 1.00 0.00 O ATOM 0 H SER A 108 9.704 -31.858 -5.634 1.00 0.00 H new ATOM 0 HA SER A 108 10.957 -30.554 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.745 -33.168 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.109 -32.693 -3.180 1.00 0.00 H new ATOM 0 HG SER A 108 10.267 -34.097 -3.303 1.00 0.00 H new ATOM 1601 N SER A 109 13.433 -30.226 -4.054 1.00 0.00 N ATOM 1602 CA SER A 109 14.725 -29.694 -4.472 1.00 0.00 C ATOM 1603 C SER A 109 15.846 -30.678 -4.154 1.00 0.00 C ATOM 1604 O SER A 109 15.718 -31.516 -3.262 1.00 0.00 O ATOM 1605 CB SER A 109 14.996 -28.355 -3.784 1.00 0.00 C ATOM 1606 OG SER A 109 14.865 -28.468 -2.378 1.00 0.00 O ATOM 0 H SER A 109 13.308 -30.284 -3.043 1.00 0.00 H new ATOM 0 HA SER A 109 14.695 -29.540 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.000 -28.012 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.301 -27.603 -4.158 1.00 0.00 H new ATOM 0 HG SER A 109 15.045 -27.599 -1.962 1.00 0.00 H new ATOM 1612 N GLY A 110 16.947 -30.570 -4.891 1.00 0.00 N ATOM 1613 CA GLY A 110 18.076 -31.456 -4.673 1.00 0.00 C ATOM 1614 C GLY A 110 18.641 -32.004 -5.969 1.00 0.00 C ATOM 1615 O GLY A 110 17.976 -32.765 -6.671 1.00 0.00 O ATOM 0 H GLY A 110 17.078 -29.885 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 110 18.858 -30.918 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 110 17.766 -32.285 -4.036 1.00 0.00 H new TER 1619 GLY A 110