USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot -100:sc= -2 USER MOD Set 2.2: A 85 MET CE :methyl 167:sc= -1.85 (180deg=-1.04) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -111:sc= -0.31 (180deg=-0.807) USER MOD Set 3.2: A 51 TYR OH : rot 80:sc= -1.31 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 17 MET CE :methyl 128:sc= 0 (180deg=-0.198) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.46) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.367 (180deg=-0.928) USER MOD Single : A 47 GLN : amide:sc=-0.00777 K(o=-0.0078,f=-0.9) USER MOD Single : A 59 ASN :FLIP amide:sc= -2.29! C(o=-3.5!,f=-2.3!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -2.39! C(o=-3.8!,f=-2.4!) USER MOD Single : A 63 MET CE :methyl 149:sc= -0.268 (180deg=-1.54!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 68:sc= 1.15 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.41 USER MOD Single : A 87 THR OG1 : rot 65:sc= -0.277! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -2.31 K(o=-2.3,f=-4!) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 104 SER OG : rot 130:sc= -1.12 USER MOD Single : A 106 TYR OH : rot 180:sc= -2.56 USER MOD Single : A 109 LYS NZ :NH3+ -139:sc= -0.452 (180deg=-1.05) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00495) USER MOD Single : A 126 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.655) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.362 1.277 8.506 1.00 0.00 N ATOM 2 CA ALA A 2 -13.172 1.955 9.092 1.00 0.00 C ATOM 3 C ALA A 2 -12.989 3.320 8.428 1.00 0.00 C ATOM 4 O ALA A 2 -12.171 3.485 7.545 1.00 0.00 O ATOM 5 CB ALA A 2 -11.926 1.098 8.851 1.00 0.00 C ATOM 0 HA ALA A 2 -13.318 2.088 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.055 1.594 9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.058 0.124 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.777 0.965 7.779 1.00 0.00 H new ATOM 11 N ASP A 3 -13.745 4.302 8.844 1.00 0.00 N ATOM 12 CA ASP A 3 -13.619 5.658 8.233 1.00 0.00 C ATOM 13 C ASP A 3 -13.968 5.578 6.745 1.00 0.00 C ATOM 14 O ASP A 3 -13.488 4.722 6.030 1.00 0.00 O ATOM 15 CB ASP A 3 -12.185 6.171 8.397 1.00 0.00 C ATOM 16 CG ASP A 3 -12.202 7.496 9.161 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.003 8.348 8.813 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.412 7.637 10.081 1.00 0.00 O ATOM 0 H ASP A 3 -14.445 4.223 9.582 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.303 6.344 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.584 5.437 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.722 6.308 7.420 1.00 0.00 H new ATOM 23 N LYS A 4 -14.803 6.462 6.272 1.00 0.00 N ATOM 24 CA LYS A 4 -15.183 6.429 4.832 1.00 0.00 C ATOM 25 C LYS A 4 -14.215 7.292 4.025 1.00 0.00 C ATOM 26 O LYS A 4 -14.438 7.572 2.864 1.00 0.00 O ATOM 27 CB LYS A 4 -16.600 6.968 4.658 1.00 0.00 C ATOM 28 CG LYS A 4 -17.598 5.987 5.275 1.00 0.00 C ATOM 29 CD LYS A 4 -18.249 5.158 4.165 1.00 0.00 C ATOM 30 CE LYS A 4 -19.165 4.102 4.785 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.295 3.818 3.855 1.00 0.00 N ATOM 0 H LYS A 4 -15.238 7.205 6.820 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.139 5.399 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.691 7.944 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.819 7.109 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.090 5.332 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.361 6.530 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.821 5.806 3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.482 4.678 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.604 3.189 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.548 4.454 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.919 3.100 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.835 4.691 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.921 3.465 2.951 1.00 0.00 H new ATOM 45 N GLU A 5 -13.142 7.720 4.631 1.00 0.00 N ATOM 46 CA GLU A 5 -12.163 8.566 3.897 1.00 0.00 C ATOM 47 C GLU A 5 -10.751 8.264 4.398 1.00 0.00 C ATOM 48 O GLU A 5 -9.997 9.159 4.725 1.00 0.00 O ATOM 49 CB GLU A 5 -12.480 10.044 4.139 1.00 0.00 C ATOM 50 CG GLU A 5 -13.957 10.306 3.841 1.00 0.00 C ATOM 51 CD GLU A 5 -14.225 11.812 3.876 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.046 12.449 2.851 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.603 12.300 4.927 1.00 0.00 O ATOM 0 H GLU A 5 -12.902 7.520 5.602 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.227 8.349 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.254 10.311 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.854 10.670 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.219 9.902 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.583 9.797 4.574 1.00 0.00 H new ATOM 60 N LEU A 6 -10.378 7.014 4.454 1.00 0.00 N ATOM 61 CA LEU A 6 -9.018 6.679 4.923 1.00 0.00 C ATOM 62 C LEU A 6 -8.056 6.938 3.757 1.00 0.00 C ATOM 63 O LEU A 6 -8.329 6.581 2.631 1.00 0.00 O ATOM 64 CB LEU A 6 -9.012 5.214 5.389 1.00 0.00 C ATOM 65 CG LEU A 6 -7.668 4.803 6.005 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.218 5.794 7.071 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.836 3.454 6.683 1.00 0.00 C ATOM 0 H LEU A 6 -10.960 6.217 4.194 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.702 7.288 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.805 5.065 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.234 4.565 4.542 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.927 4.770 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.263 5.473 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.106 6.782 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.963 5.837 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.888 3.149 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.593 3.531 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.148 2.713 5.947 1.00 0.00 H new ATOM 79 N LYS A 7 -6.975 7.627 4.005 1.00 0.00 N ATOM 80 CA LYS A 7 -6.041 7.991 2.894 1.00 0.00 C ATOM 81 C LYS A 7 -5.155 6.823 2.443 1.00 0.00 C ATOM 82 O LYS A 7 -4.328 6.322 3.192 1.00 0.00 O ATOM 83 CB LYS A 7 -5.143 9.137 3.362 1.00 0.00 C ATOM 84 CG LYS A 7 -5.574 10.436 2.678 1.00 0.00 C ATOM 85 CD LYS A 7 -4.775 11.606 3.254 1.00 0.00 C ATOM 86 CE LYS A 7 -4.458 12.604 2.140 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.295 12.113 1.348 1.00 0.00 N ATOM 0 H LYS A 7 -6.696 7.955 4.929 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.653 8.280 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.208 9.245 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.102 8.917 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.411 10.365 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.641 10.602 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.345 12.095 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.852 11.243 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.326 12.730 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.234 13.582 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.474 12.728 1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.065 11.140 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.533 12.127 0.336 1.00 0.00 H new ATOM 101 N PHE A 8 -5.290 6.430 1.191 1.00 0.00 N ATOM 102 CA PHE A 8 -4.438 5.350 0.635 1.00 0.00 C ATOM 103 C PHE A 8 -3.480 5.970 -0.375 1.00 0.00 C ATOM 104 O PHE A 8 -3.846 6.874 -1.099 1.00 0.00 O ATOM 105 CB PHE A 8 -5.282 4.311 -0.119 1.00 0.00 C ATOM 106 CG PHE A 8 -6.292 3.659 0.794 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.443 4.354 1.167 1.00 0.00 C ATOM 108 CD2 PHE A 8 -6.080 2.354 1.261 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.384 3.751 2.009 1.00 0.00 C ATOM 110 CE2 PHE A 8 -7.018 1.749 2.107 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.171 2.447 2.481 1.00 0.00 C ATOM 0 H PHE A 8 -5.964 6.823 0.534 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.914 4.865 1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.797 4.792 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.629 3.549 -0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.608 5.358 0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.192 1.814 0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.275 4.290 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.851 0.746 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.897 1.983 3.132 1.00 0.00 H new ATOM 121 N LEU A 9 -2.273 5.481 -0.447 1.00 0.00 N ATOM 122 CA LEU A 9 -1.305 6.029 -1.440 1.00 0.00 C ATOM 123 C LEU A 9 -0.986 4.950 -2.469 1.00 0.00 C ATOM 124 O LEU A 9 -0.291 3.995 -2.187 1.00 0.00 O ATOM 125 CB LEU A 9 -0.014 6.455 -0.744 1.00 0.00 C ATOM 126 CG LEU A 9 0.913 7.137 -1.756 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.294 8.452 -2.238 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.249 7.424 -1.089 1.00 0.00 C ATOM 0 H LEU A 9 -1.915 4.726 0.138 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.747 6.898 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.239 7.137 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.481 5.586 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 9 1.056 6.479 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.962 8.927 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.666 8.250 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.144 9.117 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.915 7.909 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.094 8.080 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.697 6.488 -0.753 1.00 0.00 H new ATOM 140 N VAL A 10 -1.482 5.097 -3.664 1.00 0.00 N ATOM 141 CA VAL A 10 -1.196 4.083 -4.711 1.00 0.00 C ATOM 142 C VAL A 10 0.077 4.497 -5.456 1.00 0.00 C ATOM 143 O VAL A 10 0.059 5.382 -6.290 1.00 0.00 O ATOM 144 CB VAL A 10 -2.378 4.010 -5.683 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.677 2.553 -6.034 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.616 4.630 -5.029 1.00 0.00 C ATOM 0 H VAL A 10 -2.072 5.875 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.052 3.101 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.124 4.557 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.519 2.511 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.801 2.104 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.925 2.004 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.457 4.578 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.860 4.082 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.413 5.672 -4.781 1.00 0.00 H new ATOM 156 N VAL A 11 1.188 3.881 -5.140 1.00 0.00 N ATOM 157 CA VAL A 11 2.463 4.252 -5.803 1.00 0.00 C ATOM 158 C VAL A 11 2.762 3.303 -6.965 1.00 0.00 C ATOM 159 O VAL A 11 2.909 2.109 -6.788 1.00 0.00 O ATOM 160 CB VAL A 11 3.604 4.189 -4.783 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.917 4.591 -5.458 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.310 5.154 -3.635 1.00 0.00 C ATOM 0 H VAL A 11 1.261 3.135 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 11 2.373 5.265 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 11 3.690 3.173 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.728 4.546 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.128 3.907 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.832 5.607 -5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.120 5.111 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.225 6.168 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.374 4.871 -3.153 1.00 0.00 H new ATOM 172 N ASP A 12 2.868 3.834 -8.153 1.00 0.00 N ATOM 173 CA ASP A 12 3.176 2.983 -9.338 1.00 0.00 C ATOM 174 C ASP A 12 3.328 3.865 -10.567 1.00 0.00 C ATOM 175 O ASP A 12 3.200 5.071 -10.501 1.00 0.00 O ATOM 176 CB ASP A 12 2.043 1.997 -9.604 1.00 0.00 C ATOM 177 CG ASP A 12 2.632 0.677 -10.109 1.00 0.00 C ATOM 178 OD1 ASP A 12 3.668 0.722 -10.753 1.00 0.00 O ATOM 179 OD2 ASP A 12 2.038 -0.354 -9.847 1.00 0.00 O ATOM 0 H ASP A 12 2.754 4.827 -8.355 1.00 0.00 H new ATOM 0 HA ASP A 12 4.097 2.436 -9.134 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.470 1.828 -8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.354 2.407 -10.342 1.00 0.00 H new ATOM 184 N ASP A 13 3.577 3.258 -11.694 1.00 0.00 N ATOM 185 CA ASP A 13 3.722 4.028 -12.954 1.00 0.00 C ATOM 186 C ASP A 13 2.582 3.646 -13.898 1.00 0.00 C ATOM 187 O ASP A 13 2.584 4.004 -15.058 1.00 0.00 O ATOM 188 CB ASP A 13 5.064 3.687 -13.609 1.00 0.00 C ATOM 189 CG ASP A 13 4.949 2.352 -14.346 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.329 1.451 -13.806 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.484 2.253 -15.438 1.00 0.00 O ATOM 0 H ASP A 13 3.687 2.249 -11.793 1.00 0.00 H new ATOM 0 HA ASP A 13 3.687 5.097 -12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.351 4.475 -14.305 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.846 3.630 -12.852 1.00 0.00 H new ATOM 196 N PHE A 14 1.602 2.916 -13.418 1.00 0.00 N ATOM 197 CA PHE A 14 0.485 2.531 -14.325 1.00 0.00 C ATOM 198 C PHE A 14 -0.340 3.771 -14.669 1.00 0.00 C ATOM 199 O PHE A 14 -0.267 4.793 -14.016 1.00 0.00 O ATOM 200 CB PHE A 14 -0.444 1.458 -13.692 1.00 0.00 C ATOM 201 CG PHE A 14 -0.587 1.616 -12.195 1.00 0.00 C ATOM 202 CD1 PHE A 14 -1.050 2.816 -11.650 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.294 0.532 -11.356 1.00 0.00 C ATOM 204 CE1 PHE A 14 -1.215 2.938 -10.262 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.464 0.652 -9.970 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.924 1.858 -9.426 1.00 0.00 C ATOM 0 H PHE A 14 1.531 2.579 -12.458 1.00 0.00 H new ATOM 0 HA PHE A 14 0.925 2.100 -15.224 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.429 1.518 -14.155 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.049 0.466 -13.912 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.281 3.650 -12.297 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.063 -0.396 -11.778 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.567 3.868 -9.840 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.241 -0.183 -9.323 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.054 1.953 -8.358 1.00 0.00 H new ATOM 216 N SER A 15 -1.139 3.664 -15.682 1.00 0.00 N ATOM 217 CA SER A 15 -2.023 4.785 -16.091 1.00 0.00 C ATOM 218 C SER A 15 -3.379 4.147 -16.327 1.00 0.00 C ATOM 219 O SER A 15 -4.155 4.552 -17.170 1.00 0.00 O ATOM 220 CB SER A 15 -1.507 5.422 -17.383 1.00 0.00 C ATOM 221 OG SER A 15 -1.536 4.457 -18.428 1.00 0.00 O ATOM 0 H SER A 15 -1.221 2.827 -16.260 1.00 0.00 H new ATOM 0 HA SER A 15 -2.063 5.573 -15.339 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.122 6.281 -17.649 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.491 5.790 -17.240 1.00 0.00 H new ATOM 0 HG SER A 15 -1.208 4.863 -19.257 1.00 0.00 H new ATOM 227 N THR A 16 -3.621 3.094 -15.598 1.00 0.00 N ATOM 228 CA THR A 16 -4.874 2.321 -15.753 1.00 0.00 C ATOM 229 C THR A 16 -5.195 1.608 -14.448 1.00 0.00 C ATOM 230 O THR A 16 -6.229 1.822 -13.847 1.00 0.00 O ATOM 231 CB THR A 16 -4.629 1.264 -16.824 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.231 0.044 -16.415 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.112 1.056 -16.976 1.00 0.00 C ATOM 0 H THR A 16 -2.985 2.733 -14.887 1.00 0.00 H new ATOM 0 HA THR A 16 -5.697 2.983 -16.022 1.00 0.00 H new ATOM 0 HB THR A 16 -5.057 1.584 -17.774 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.079 -0.641 -17.099 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.923 0.302 -17.740 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.644 1.995 -17.270 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.693 0.723 -16.026 1.00 0.00 H new ATOM 241 N MET A 17 -4.313 0.751 -14.019 1.00 0.00 N ATOM 242 CA MET A 17 -4.545 0.005 -12.764 1.00 0.00 C ATOM 243 C MET A 17 -5.038 0.985 -11.697 1.00 0.00 C ATOM 244 O MET A 17 -6.115 0.808 -11.165 1.00 0.00 O ATOM 245 CB MET A 17 -3.241 -0.673 -12.352 1.00 0.00 C ATOM 246 CG MET A 17 -3.165 -0.769 -10.837 1.00 0.00 C ATOM 247 SD MET A 17 -1.903 -1.977 -10.372 1.00 0.00 S ATOM 248 CE MET A 17 -2.239 -1.974 -8.594 1.00 0.00 C ATOM 0 H MET A 17 -3.435 0.537 -14.492 1.00 0.00 H new ATOM 0 HA MET A 17 -5.304 -0.767 -12.894 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.184 -1.669 -12.792 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.391 -0.107 -12.733 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.925 0.206 -10.412 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.133 -1.064 -10.432 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.383 -2.998 -8.249 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.396 -1.528 -8.065 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.140 -1.394 -8.395 1.00 0.00 H new ATOM 258 N ARG A 18 -4.272 2.020 -11.389 1.00 0.00 N ATOM 259 CA ARG A 18 -4.729 3.023 -10.368 1.00 0.00 C ATOM 260 C ARG A 18 -6.239 3.189 -10.444 1.00 0.00 C ATOM 261 O ARG A 18 -6.900 3.438 -9.456 1.00 0.00 O ATOM 262 CB ARG A 18 -4.069 4.380 -10.648 1.00 0.00 C ATOM 263 CG ARG A 18 -5.044 5.388 -11.290 1.00 0.00 C ATOM 264 CD ARG A 18 -4.262 6.624 -11.738 1.00 0.00 C ATOM 265 NE ARG A 18 -4.953 7.852 -11.252 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.895 8.952 -11.949 1.00 0.00 C ATOM 267 NH1 ARG A 18 -5.147 8.928 -13.229 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.586 10.077 -11.365 1.00 0.00 N ATOM 0 H ARG A 18 -3.358 2.208 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.448 2.669 -9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.686 4.794 -9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.214 4.235 -11.308 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.548 4.933 -12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.817 5.671 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.246 6.586 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.184 6.644 -12.825 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.471 7.832 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.390 8.048 -13.685 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.102 9.789 -13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.390 10.095 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.540 10.938 -11.909 1.00 0.00 H new ATOM 282 N ARG A 19 -6.791 3.085 -11.620 1.00 0.00 N ATOM 283 CA ARG A 19 -8.248 3.273 -11.750 1.00 0.00 C ATOM 284 C ARG A 19 -8.978 2.091 -11.108 1.00 0.00 C ATOM 285 O ARG A 19 -9.918 2.260 -10.358 1.00 0.00 O ATOM 286 CB ARG A 19 -8.626 3.376 -13.228 1.00 0.00 C ATOM 287 CG ARG A 19 -10.080 3.833 -13.352 1.00 0.00 C ATOM 288 CD ARG A 19 -10.799 2.977 -14.396 1.00 0.00 C ATOM 289 NE ARG A 19 -11.064 1.624 -13.831 1.00 0.00 N ATOM 290 CZ ARG A 19 -12.074 0.922 -14.267 1.00 0.00 C ATOM 291 NH1 ARG A 19 -12.194 0.673 -15.542 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.964 0.467 -13.427 1.00 0.00 N ATOM 0 H ARG A 19 -6.294 2.879 -12.487 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.539 4.193 -11.243 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.967 4.082 -13.734 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.494 2.410 -13.716 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.582 3.748 -12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.118 4.884 -13.639 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.736 3.451 -14.688 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.190 2.894 -15.296 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.456 1.247 -13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.498 1.027 -16.198 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.984 0.124 -15.882 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.870 0.660 -12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.753 -0.082 -13.768 1.00 0.00 H new ATOM 306 N ILE A 20 -8.551 0.894 -11.398 1.00 0.00 N ATOM 307 CA ILE A 20 -9.214 -0.300 -10.807 1.00 0.00 C ATOM 308 C ILE A 20 -9.236 -0.163 -9.285 1.00 0.00 C ATOM 309 O ILE A 20 -10.277 -0.195 -8.660 1.00 0.00 O ATOM 310 CB ILE A 20 -8.424 -1.556 -11.203 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.994 -2.129 -12.503 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.518 -2.619 -10.099 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.884 -1.083 -13.614 1.00 0.00 C ATOM 0 H ILE A 20 -7.769 0.691 -12.021 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.237 -0.380 -11.176 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.379 -1.282 -11.344 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.451 -3.031 -12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.036 -2.415 -12.360 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.953 -3.503 -10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.106 -2.219 -9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.562 -2.891 -9.944 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.290 -1.491 -14.540 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.447 -0.193 -13.333 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.837 -0.819 -13.762 1.00 0.00 H new ATOM 325 N VAL A 21 -8.087 -0.026 -8.687 1.00 0.00 N ATOM 326 CA VAL A 21 -8.022 0.098 -7.205 1.00 0.00 C ATOM 327 C VAL A 21 -8.904 1.259 -6.733 1.00 0.00 C ATOM 328 O VAL A 21 -9.625 1.142 -5.761 1.00 0.00 O ATOM 329 CB VAL A 21 -6.577 0.340 -6.770 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.069 -0.890 -6.023 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.702 0.575 -8.001 1.00 0.00 C ATOM 0 H VAL A 21 -7.186 0.006 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.385 -0.827 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.534 1.215 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.038 -0.725 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.692 -1.066 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.114 -1.759 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.672 0.747 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.743 -0.301 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.066 1.446 -8.545 1.00 0.00 H new ATOM 341 N ARG A 22 -8.857 2.374 -7.411 1.00 0.00 N ATOM 342 CA ARG A 22 -9.697 3.536 -6.996 1.00 0.00 C ATOM 343 C ARG A 22 -11.122 3.057 -6.722 1.00 0.00 C ATOM 344 O ARG A 22 -11.680 3.290 -5.668 1.00 0.00 O ATOM 345 CB ARG A 22 -9.729 4.567 -8.124 1.00 0.00 C ATOM 346 CG ARG A 22 -8.856 5.767 -7.751 1.00 0.00 C ATOM 347 CD ARG A 22 -8.696 6.679 -8.969 1.00 0.00 C ATOM 348 NE ARG A 22 -8.511 8.086 -8.514 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.317 8.612 -8.487 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.773 9.054 -9.589 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.667 8.696 -7.360 1.00 0.00 N ATOM 0 H ARG A 22 -8.274 2.531 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.277 3.985 -6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.370 4.118 -9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.754 4.892 -8.303 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.310 6.318 -6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.879 5.427 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.840 6.362 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.574 6.605 -9.610 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.318 8.638 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.281 8.988 -10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.840 9.465 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.092 8.351 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.734 9.107 -7.339 1.00 0.00 H new ATOM 365 N ASN A 23 -11.706 2.382 -7.668 1.00 0.00 N ATOM 366 CA ASN A 23 -13.079 1.866 -7.501 1.00 0.00 C ATOM 367 C ASN A 23 -13.092 0.831 -6.387 1.00 0.00 C ATOM 368 O ASN A 23 -13.819 0.939 -5.423 1.00 0.00 O ATOM 369 CB ASN A 23 -13.457 1.181 -8.800 1.00 0.00 C ATOM 370 CG ASN A 23 -14.870 1.587 -9.223 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.057 2.600 -9.866 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.880 0.831 -8.887 1.00 0.00 N ATOM 0 H ASN A 23 -11.276 2.164 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.771 2.672 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.745 1.449 -9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.403 0.099 -8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.826 1.091 -9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.723 -0.020 -8.347 1.00 0.00 H new ATOM 379 N LEU A 24 -12.284 -0.179 -6.545 1.00 0.00 N ATOM 380 CA LEU A 24 -12.200 -1.273 -5.533 1.00 0.00 C ATOM 381 C LEU A 24 -12.307 -0.689 -4.122 1.00 0.00 C ATOM 382 O LEU A 24 -13.160 -1.070 -3.348 1.00 0.00 O ATOM 383 CB LEU A 24 -10.846 -1.969 -5.699 1.00 0.00 C ATOM 384 CG LEU A 24 -10.808 -3.317 -4.940 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.329 -4.412 -5.894 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.850 -3.276 -3.729 1.00 0.00 C ATOM 0 H LEU A 24 -11.666 -0.296 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.015 -1.982 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.650 -2.140 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.053 -1.319 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.815 -3.518 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.299 -5.366 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.015 -4.485 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.331 -4.167 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.856 -4.244 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.840 -3.051 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.177 -2.504 -3.032 1.00 0.00 H new ATOM 398 N LEU A 25 -11.451 0.237 -3.783 1.00 0.00 N ATOM 399 CA LEU A 25 -11.516 0.841 -2.423 1.00 0.00 C ATOM 400 C LEU A 25 -12.913 1.421 -2.202 1.00 0.00 C ATOM 401 O LEU A 25 -13.566 1.132 -1.220 1.00 0.00 O ATOM 402 CB LEU A 25 -10.477 1.958 -2.298 1.00 0.00 C ATOM 403 CG LEU A 25 -9.112 1.356 -1.961 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.008 2.257 -2.516 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.963 1.249 -0.441 1.00 0.00 C ATOM 0 H LEU A 25 -10.713 0.599 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.308 0.075 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.418 2.519 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.777 2.662 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.032 0.364 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.034 1.829 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.113 2.337 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.088 3.248 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.990 0.820 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.042 2.241 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.750 0.609 -0.042 1.00 0.00 H new ATOM 417 N LYS A 26 -13.377 2.239 -3.107 1.00 0.00 N ATOM 418 CA LYS A 26 -14.728 2.831 -2.943 1.00 0.00 C ATOM 419 C LYS A 26 -15.741 1.713 -2.696 1.00 0.00 C ATOM 420 O LYS A 26 -16.643 1.846 -1.893 1.00 0.00 O ATOM 421 CB LYS A 26 -15.113 3.600 -4.209 1.00 0.00 C ATOM 422 CG LYS A 26 -16.317 4.498 -3.911 1.00 0.00 C ATOM 423 CD LYS A 26 -17.330 4.413 -5.056 1.00 0.00 C ATOM 424 CE LYS A 26 -16.691 4.931 -6.346 1.00 0.00 C ATOM 425 NZ LYS A 26 -17.484 6.082 -6.865 1.00 0.00 N ATOM 0 H LYS A 26 -12.877 2.521 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.724 3.516 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.272 4.202 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.355 2.903 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.786 4.192 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.989 5.529 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.658 3.382 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.216 5.001 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.663 5.240 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.653 4.136 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.050 6.435 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.458 5.773 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.498 6.842 -6.155 1.00 0.00 H new ATOM 439 N GLU A 27 -15.595 0.610 -3.378 1.00 0.00 N ATOM 440 CA GLU A 27 -16.543 -0.516 -3.183 1.00 0.00 C ATOM 441 C GLU A 27 -16.643 -0.835 -1.692 1.00 0.00 C ATOM 442 O GLU A 27 -17.669 -1.265 -1.204 1.00 0.00 O ATOM 443 CB GLU A 27 -16.038 -1.748 -3.938 1.00 0.00 C ATOM 444 CG GLU A 27 -17.198 -2.392 -4.701 1.00 0.00 C ATOM 445 CD GLU A 27 -16.710 -3.668 -5.388 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.687 -4.697 -4.734 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.368 -3.594 -6.558 1.00 0.00 O ATOM 0 H GLU A 27 -14.858 0.443 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.525 -0.238 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.247 -1.463 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.607 -2.464 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.014 -2.624 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.592 -1.695 -5.441 1.00 0.00 H new ATOM 454 N LEU A 28 -15.580 -0.626 -0.965 1.00 0.00 N ATOM 455 CA LEU A 28 -15.607 -0.912 0.496 1.00 0.00 C ATOM 456 C LEU A 28 -16.152 0.306 1.238 1.00 0.00 C ATOM 457 O LEU A 28 -17.180 0.245 1.884 1.00 0.00 O ATOM 458 CB LEU A 28 -14.189 -1.218 0.983 1.00 0.00 C ATOM 459 CG LEU A 28 -14.243 -2.269 2.094 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.824 -2.575 2.576 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.072 -1.731 3.263 1.00 0.00 C ATOM 0 H LEU A 28 -14.693 -0.269 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.248 -1.773 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.580 -1.580 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.716 -0.308 1.352 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.701 -3.181 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.862 -3.324 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.231 -2.956 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.366 -1.664 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.112 -2.478 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.612 -0.820 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.083 -1.511 2.921 1.00 0.00 H new ATOM 473 N GLY A 29 -15.472 1.414 1.153 1.00 0.00 N ATOM 474 CA GLY A 29 -15.945 2.630 1.849 1.00 0.00 C ATOM 475 C GLY A 29 -14.787 3.613 2.034 1.00 0.00 C ATOM 476 O GLY A 29 -14.271 3.775 3.119 1.00 0.00 O ATOM 0 H GLY A 29 -14.605 1.525 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.743 3.100 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.365 2.363 2.819 1.00 0.00 H new ATOM 480 N PHE A 30 -14.371 4.267 0.985 1.00 0.00 N ATOM 481 CA PHE A 30 -13.252 5.244 1.117 1.00 0.00 C ATOM 482 C PHE A 30 -13.418 6.358 0.078 1.00 0.00 C ATOM 483 O PHE A 30 -14.039 6.169 -0.949 1.00 0.00 O ATOM 484 CB PHE A 30 -11.917 4.527 0.899 1.00 0.00 C ATOM 485 CG PHE A 30 -11.716 3.475 1.970 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.644 3.843 3.322 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.597 2.129 1.609 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.456 2.863 4.306 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.411 1.150 2.594 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.340 1.518 3.942 1.00 0.00 C ATOM 0 H PHE A 30 -14.755 4.168 0.045 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.267 5.680 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.900 4.062 -0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.099 5.247 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.733 4.882 3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.649 1.844 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.401 3.147 5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.322 0.111 2.313 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.196 0.763 4.701 1.00 0.00 H new ATOM 500 N ASN A 31 -12.871 7.519 0.333 1.00 0.00 N ATOM 501 CA ASN A 31 -13.012 8.634 -0.649 1.00 0.00 C ATOM 502 C ASN A 31 -11.789 9.567 -0.577 1.00 0.00 C ATOM 503 O ASN A 31 -11.907 10.773 -0.660 1.00 0.00 O ATOM 504 CB ASN A 31 -14.294 9.415 -0.334 1.00 0.00 C ATOM 505 CG ASN A 31 -15.097 9.627 -1.620 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.250 8.718 -2.411 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.622 10.796 -1.862 1.00 0.00 N ATOM 0 H ASN A 31 -12.337 7.742 1.173 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.071 8.226 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.894 8.870 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.045 10.377 0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.161 10.946 -2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.494 11.560 -1.198 1.00 0.00 H new ATOM 514 N ASN A 32 -10.610 9.021 -0.433 1.00 0.00 N ATOM 515 CA ASN A 32 -9.392 9.885 -0.366 1.00 0.00 C ATOM 516 C ASN A 32 -8.160 9.064 -0.755 1.00 0.00 C ATOM 517 O ASN A 32 -7.723 8.203 -0.020 1.00 0.00 O ATOM 518 CB ASN A 32 -9.223 10.414 1.060 1.00 0.00 C ATOM 519 CG ASN A 32 -8.850 11.898 1.014 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.995 12.298 0.249 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.459 12.736 1.808 1.00 0.00 N ATOM 0 H ASN A 32 -10.437 8.019 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.501 10.722 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.147 10.278 1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.448 9.849 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.217 13.727 1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.177 12.400 2.450 1.00 0.00 H new ATOM 528 N VAL A 33 -7.601 9.320 -1.911 1.00 0.00 N ATOM 529 CA VAL A 33 -6.405 8.542 -2.353 1.00 0.00 C ATOM 530 C VAL A 33 -5.472 9.435 -3.176 1.00 0.00 C ATOM 531 O VAL A 33 -5.921 10.298 -3.906 1.00 0.00 O ATOM 532 CB VAL A 33 -6.874 7.383 -3.239 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.663 6.632 -3.796 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.744 6.423 -2.424 1.00 0.00 C ATOM 0 H VAL A 33 -7.921 10.033 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.873 8.170 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.460 7.784 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.003 5.809 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.053 7.314 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.069 6.237 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.074 5.602 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.165 6.026 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.614 6.957 -2.040 1.00 0.00 H new ATOM 544 N GLU A 34 -4.178 9.212 -3.091 1.00 0.00 N ATOM 545 CA GLU A 34 -3.218 10.019 -3.896 1.00 0.00 C ATOM 546 C GLU A 34 -2.417 9.059 -4.763 1.00 0.00 C ATOM 547 O GLU A 34 -2.719 7.886 -4.827 1.00 0.00 O ATOM 548 CB GLU A 34 -2.286 10.802 -2.977 1.00 0.00 C ATOM 549 CG GLU A 34 -2.901 12.175 -2.690 1.00 0.00 C ATOM 550 CD GLU A 34 -2.502 13.153 -3.797 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.551 12.763 -4.951 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.155 14.277 -3.470 1.00 0.00 O ATOM 0 H GLU A 34 -3.751 8.503 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.754 10.735 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.132 10.257 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.308 10.918 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.987 12.095 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.559 12.544 -1.723 1.00 0.00 H new ATOM 559 N GLU A 35 -1.414 9.531 -5.444 1.00 0.00 N ATOM 560 CA GLU A 35 -0.631 8.613 -6.317 1.00 0.00 C ATOM 561 C GLU A 35 0.816 9.082 -6.418 1.00 0.00 C ATOM 562 O GLU A 35 1.118 10.251 -6.275 1.00 0.00 O ATOM 563 CB GLU A 35 -1.248 8.600 -7.720 1.00 0.00 C ATOM 564 CG GLU A 35 -2.698 8.119 -7.641 1.00 0.00 C ATOM 565 CD GLU A 35 -3.224 7.837 -9.044 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.720 8.437 -9.979 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.124 7.023 -9.158 1.00 0.00 O ATOM 0 H GLU A 35 -1.103 10.502 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.654 7.613 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.209 9.599 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.673 7.945 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.759 7.218 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.316 8.875 -7.156 1.00 0.00 H new ATOM 574 N ALA A 36 1.708 8.169 -6.681 1.00 0.00 N ATOM 575 CA ALA A 36 3.144 8.531 -6.817 1.00 0.00 C ATOM 576 C ALA A 36 3.732 7.743 -7.989 1.00 0.00 C ATOM 577 O ALA A 36 3.013 7.070 -8.703 1.00 0.00 O ATOM 578 CB ALA A 36 3.883 8.189 -5.523 1.00 0.00 C ATOM 0 H ALA A 36 1.501 7.178 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 36 3.250 9.600 -7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.935 8.455 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.445 8.748 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.796 7.121 -5.326 1.00 0.00 H new ATOM 584 N GLU A 37 5.020 7.828 -8.202 1.00 0.00 N ATOM 585 CA GLU A 37 5.646 7.092 -9.342 1.00 0.00 C ATOM 586 C GLU A 37 6.663 6.070 -8.825 1.00 0.00 C ATOM 587 O GLU A 37 7.249 5.342 -9.596 1.00 0.00 O ATOM 588 CB GLU A 37 6.359 8.089 -10.261 1.00 0.00 C ATOM 589 CG GLU A 37 5.355 9.119 -10.789 1.00 0.00 C ATOM 590 CD GLU A 37 4.706 8.592 -12.069 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.437 8.228 -12.976 1.00 0.00 O ATOM 592 OE2 GLU A 37 3.487 8.562 -12.123 1.00 0.00 O ATOM 0 H GLU A 37 5.667 8.376 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 37 4.864 6.568 -9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.158 8.592 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.824 7.561 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.591 9.317 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.859 10.065 -10.987 1.00 0.00 H new ATOM 599 N ASP A 38 6.875 6.006 -7.533 1.00 0.00 N ATOM 600 CA ASP A 38 7.857 5.025 -6.979 1.00 0.00 C ATOM 601 C ASP A 38 8.184 5.408 -5.532 1.00 0.00 C ATOM 602 O ASP A 38 7.859 6.487 -5.083 1.00 0.00 O ATOM 603 CB ASP A 38 9.141 5.036 -7.823 1.00 0.00 C ATOM 604 CG ASP A 38 10.342 4.666 -6.952 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.357 3.558 -6.445 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.225 5.494 -6.811 1.00 0.00 O ATOM 0 H ASP A 38 6.410 6.591 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 38 7.427 4.024 -7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.049 4.331 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.289 6.023 -8.261 1.00 0.00 H new ATOM 611 N GLY A 39 8.815 4.529 -4.801 1.00 0.00 N ATOM 612 CA GLY A 39 9.160 4.829 -3.381 1.00 0.00 C ATOM 613 C GLY A 39 9.690 6.262 -3.245 1.00 0.00 C ATOM 614 O GLY A 39 9.212 7.031 -2.437 1.00 0.00 O ATOM 0 H GLY A 39 9.109 3.609 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.279 4.700 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.911 4.123 -3.027 1.00 0.00 H new ATOM 618 N VAL A 40 10.676 6.630 -4.019 1.00 0.00 N ATOM 619 CA VAL A 40 11.222 8.013 -3.908 1.00 0.00 C ATOM 620 C VAL A 40 10.103 9.018 -4.181 1.00 0.00 C ATOM 621 O VAL A 40 9.959 10.014 -3.494 1.00 0.00 O ATOM 622 CB VAL A 40 12.368 8.205 -4.911 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.812 8.496 -6.309 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.242 9.377 -4.461 1.00 0.00 C ATOM 0 H VAL A 40 11.124 6.038 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 40 11.612 8.174 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 40 12.960 7.291 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.637 8.630 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.192 7.661 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.211 9.405 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.057 9.517 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.640 10.284 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.653 9.166 -3.474 1.00 0.00 H new ATOM 634 N ASP A 41 9.295 8.754 -5.166 1.00 0.00 N ATOM 635 CA ASP A 41 8.175 9.676 -5.471 1.00 0.00 C ATOM 636 C ASP A 41 7.296 9.779 -4.231 1.00 0.00 C ATOM 637 O ASP A 41 6.913 10.850 -3.807 1.00 0.00 O ATOM 638 CB ASP A 41 7.365 9.108 -6.631 1.00 0.00 C ATOM 639 CG ASP A 41 6.468 10.201 -7.218 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.656 10.733 -6.481 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.612 10.486 -8.395 1.00 0.00 O ATOM 0 H ASP A 41 9.364 7.937 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 41 8.550 10.662 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.034 8.722 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.757 8.271 -6.287 1.00 0.00 H new ATOM 646 N ALA A 42 6.994 8.660 -3.640 1.00 0.00 N ATOM 647 CA ALA A 42 6.160 8.660 -2.408 1.00 0.00 C ATOM 648 C ALA A 42 6.880 9.470 -1.328 1.00 0.00 C ATOM 649 O ALA A 42 6.279 10.235 -0.605 1.00 0.00 O ATOM 650 CB ALA A 42 5.974 7.220 -1.929 1.00 0.00 C ATOM 0 H ALA A 42 7.291 7.738 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 42 5.185 9.102 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.363 7.213 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.478 6.639 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.947 6.780 -1.712 1.00 0.00 H new ATOM 656 N LEU A 43 8.170 9.318 -1.218 1.00 0.00 N ATOM 657 CA LEU A 43 8.918 10.095 -0.190 1.00 0.00 C ATOM 658 C LEU A 43 8.521 11.567 -0.306 1.00 0.00 C ATOM 659 O LEU A 43 8.362 12.260 0.680 1.00 0.00 O ATOM 660 CB LEU A 43 10.427 9.948 -0.440 1.00 0.00 C ATOM 661 CG LEU A 43 11.208 10.047 0.881 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.837 11.340 1.610 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.887 8.847 1.779 1.00 0.00 C ATOM 0 H LEU A 43 8.737 8.693 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 43 8.681 9.724 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.630 8.989 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.764 10.724 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 43 12.274 10.049 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.394 11.403 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.084 12.196 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.768 11.343 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.447 8.930 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.819 8.831 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.167 7.925 1.269 1.00 0.00 H new ATOM 675 N ASN A 44 8.363 12.053 -1.508 1.00 0.00 N ATOM 676 CA ASN A 44 7.983 13.485 -1.689 1.00 0.00 C ATOM 677 C ASN A 44 6.457 13.638 -1.673 1.00 0.00 C ATOM 678 O ASN A 44 5.931 14.639 -1.230 1.00 0.00 O ATOM 679 CB ASN A 44 8.527 13.985 -3.029 1.00 0.00 C ATOM 680 CG ASN A 44 9.958 14.490 -2.842 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.171 15.580 -2.347 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.957 13.740 -3.221 1.00 0.00 N ATOM 0 H ASN A 44 8.480 11.522 -2.371 1.00 0.00 H new ATOM 0 HA ASN A 44 8.406 14.070 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.507 13.181 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.895 14.785 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.915 14.068 -3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.779 12.825 -3.636 1.00 0.00 H new ATOM 689 N LYS A 45 5.743 12.661 -2.161 1.00 0.00 N ATOM 690 CA LYS A 45 4.254 12.758 -2.180 1.00 0.00 C ATOM 691 C LYS A 45 3.679 12.185 -0.884 1.00 0.00 C ATOM 692 O LYS A 45 2.944 12.844 -0.181 1.00 0.00 O ATOM 693 CB LYS A 45 3.710 11.959 -3.374 1.00 0.00 C ATOM 694 CG LYS A 45 2.918 12.873 -4.321 1.00 0.00 C ATOM 695 CD LYS A 45 1.569 13.242 -3.692 1.00 0.00 C ATOM 696 CE LYS A 45 0.690 13.924 -4.741 1.00 0.00 C ATOM 697 NZ LYS A 45 1.554 14.629 -5.730 1.00 0.00 N ATOM 0 H LYS A 45 6.126 11.798 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 45 3.962 13.804 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.535 11.495 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.069 11.153 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.490 13.777 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.758 12.370 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.075 12.347 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.721 13.906 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.069 13.185 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.015 14.633 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.980 15.305 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.309 15.140 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.977 13.935 -6.379 1.00 0.00 H new ATOM 711 N LEU A 46 4.002 10.962 -0.570 1.00 0.00 N ATOM 712 CA LEU A 46 3.472 10.338 0.677 1.00 0.00 C ATOM 713 C LEU A 46 3.607 11.321 1.843 1.00 0.00 C ATOM 714 O LEU A 46 2.847 11.281 2.791 1.00 0.00 O ATOM 715 CB LEU A 46 4.264 9.055 0.977 1.00 0.00 C ATOM 716 CG LEU A 46 3.558 8.214 2.070 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.731 6.714 1.803 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.157 8.520 3.443 1.00 0.00 C ATOM 0 H LEU A 46 4.613 10.364 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 46 2.419 10.090 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.366 8.464 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.271 9.312 1.304 1.00 0.00 H new ATOM 0 HG LEU A 46 2.499 8.473 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.227 6.145 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.297 6.464 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.792 6.465 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.652 7.922 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.220 8.278 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.027 9.578 3.669 1.00 0.00 H new ATOM 730 N GLN A 47 4.564 12.205 1.781 1.00 0.00 N ATOM 731 CA GLN A 47 4.740 13.190 2.886 1.00 0.00 C ATOM 732 C GLN A 47 3.612 14.216 2.815 1.00 0.00 C ATOM 733 O GLN A 47 3.652 15.250 3.451 1.00 0.00 O ATOM 734 CB GLN A 47 6.088 13.898 2.734 1.00 0.00 C ATOM 735 CG GLN A 47 6.532 14.444 4.092 1.00 0.00 C ATOM 736 CD GLN A 47 7.838 15.226 3.926 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.039 15.891 2.929 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.738 15.175 4.868 1.00 0.00 N ATOM 0 H GLN A 47 5.231 12.288 1.014 1.00 0.00 H new ATOM 0 HA GLN A 47 4.714 12.676 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.834 13.204 2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.005 14.711 2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.759 15.091 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.673 13.625 4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.569 14.617 5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.611 15.693 4.768 1.00 0.00 H new ATOM 747 N ALA A 48 2.608 13.935 2.035 1.00 0.00 N ATOM 748 CA ALA A 48 1.471 14.880 1.902 1.00 0.00 C ATOM 749 C ALA A 48 0.980 15.293 3.291 1.00 0.00 C ATOM 750 O ALA A 48 0.918 16.464 3.611 1.00 0.00 O ATOM 751 CB ALA A 48 0.339 14.203 1.129 1.00 0.00 C ATOM 0 H ALA A 48 2.527 13.083 1.480 1.00 0.00 H new ATOM 0 HA ALA A 48 1.796 15.769 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.498 14.894 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.694 13.918 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.012 13.313 1.667 1.00 0.00 H new ATOM 757 N GLY A 49 0.632 14.349 4.126 1.00 0.00 N ATOM 758 CA GLY A 49 0.152 14.714 5.489 1.00 0.00 C ATOM 759 C GLY A 49 -0.164 13.452 6.295 1.00 0.00 C ATOM 760 O GLY A 49 -1.068 13.435 7.107 1.00 0.00 O ATOM 0 H GLY A 49 0.659 13.349 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.911 15.302 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.738 15.338 5.414 1.00 0.00 H new ATOM 764 N GLY A 50 0.570 12.394 6.084 1.00 0.00 N ATOM 765 CA GLY A 50 0.300 11.142 6.845 1.00 0.00 C ATOM 766 C GLY A 50 -0.687 10.285 6.059 1.00 0.00 C ATOM 767 O GLY A 50 -1.760 10.733 5.706 1.00 0.00 O ATOM 0 H GLY A 50 1.342 12.342 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.228 10.593 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.107 11.379 7.828 1.00 0.00 H new ATOM 771 N TYR A 51 -0.325 9.060 5.775 1.00 0.00 N ATOM 772 CA TYR A 51 -1.227 8.169 4.997 1.00 0.00 C ATOM 773 C TYR A 51 -1.703 7.016 5.866 1.00 0.00 C ATOM 774 O TYR A 51 -0.963 6.103 6.173 1.00 0.00 O ATOM 775 CB TYR A 51 -0.461 7.630 3.799 1.00 0.00 C ATOM 776 CG TYR A 51 -0.608 8.617 2.681 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.272 9.698 2.593 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.634 8.466 1.748 1.00 0.00 C ATOM 779 CE1 TYR A 51 0.128 10.630 1.565 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.782 9.398 0.718 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.896 10.483 0.627 1.00 0.00 C ATOM 782 OH TYR A 51 -1.033 11.410 -0.383 1.00 0.00 O ATOM 0 H TYR A 51 0.562 8.640 6.052 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.099 8.731 4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.591 7.490 4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.851 6.656 3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.063 9.812 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.313 7.630 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.809 11.466 1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.575 9.284 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.385 11.219 -1.093 1.00 0.00 H new ATOM 792 N GLY A 52 -2.943 7.050 6.261 1.00 0.00 N ATOM 793 CA GLY A 52 -3.480 5.958 7.107 1.00 0.00 C ATOM 794 C GLY A 52 -3.406 4.647 6.335 1.00 0.00 C ATOM 795 O GLY A 52 -3.808 3.608 6.816 1.00 0.00 O ATOM 0 H GLY A 52 -3.607 7.790 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.908 5.883 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.512 6.172 7.387 1.00 0.00 H new ATOM 799 N PHE A 53 -2.906 4.682 5.132 1.00 0.00 N ATOM 800 CA PHE A 53 -2.816 3.429 4.350 1.00 0.00 C ATOM 801 C PHE A 53 -1.944 3.662 3.108 1.00 0.00 C ATOM 802 O PHE A 53 -1.958 4.725 2.522 1.00 0.00 O ATOM 803 CB PHE A 53 -4.227 3.036 3.926 1.00 0.00 C ATOM 804 CG PHE A 53 -4.497 1.574 4.209 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.548 0.592 3.902 1.00 0.00 C ATOM 806 CD2 PHE A 53 -5.721 1.204 4.766 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.830 -0.754 4.157 1.00 0.00 C ATOM 808 CE2 PHE A 53 -6.003 -0.136 5.024 1.00 0.00 C ATOM 809 CZ PHE A 53 -5.058 -1.119 4.720 1.00 0.00 C ATOM 0 H PHE A 53 -2.560 5.519 4.663 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.368 2.636 4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.954 3.652 4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.358 3.233 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.599 0.873 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.455 1.961 4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.099 -1.513 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.952 -0.415 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.275 -2.158 4.919 1.00 0.00 H new ATOM 819 N VAL A 54 -1.177 2.684 2.704 1.00 0.00 N ATOM 820 CA VAL A 54 -0.317 2.866 1.492 1.00 0.00 C ATOM 821 C VAL A 54 -0.279 1.567 0.688 1.00 0.00 C ATOM 822 O VAL A 54 0.044 0.517 1.207 1.00 0.00 O ATOM 823 CB VAL A 54 1.106 3.218 1.901 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.994 3.292 0.654 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.126 4.563 2.631 1.00 0.00 C ATOM 0 H VAL A 54 -1.107 1.772 3.155 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.737 3.672 0.891 1.00 0.00 H new ATOM 0 HB VAL A 54 1.486 2.447 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.013 3.544 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.991 2.327 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.611 4.058 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.149 4.805 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.741 5.341 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.502 4.502 3.523 1.00 0.00 H new ATOM 835 N ILE A 55 -0.586 1.642 -0.578 1.00 0.00 N ATOM 836 CA ILE A 55 -0.552 0.427 -1.441 1.00 0.00 C ATOM 837 C ILE A 55 0.619 0.566 -2.422 1.00 0.00 C ATOM 838 O ILE A 55 0.489 1.159 -3.477 1.00 0.00 O ATOM 839 CB ILE A 55 -1.858 0.329 -2.232 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.041 0.235 -1.266 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.825 -0.918 -3.115 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.346 0.425 -2.041 1.00 0.00 C ATOM 0 H ILE A 55 -0.861 2.500 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.432 -0.466 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.969 1.217 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.040 -0.733 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.952 0.995 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.755 -0.989 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.985 -0.852 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.711 -1.804 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.190 0.358 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.345 1.404 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.434 -0.351 -2.801 1.00 0.00 H new ATOM 854 N SER A 56 1.767 0.038 -2.086 1.00 0.00 N ATOM 855 CA SER A 56 2.937 0.161 -3.006 1.00 0.00 C ATOM 856 C SER A 56 2.973 -1.045 -3.950 1.00 0.00 C ATOM 857 O SER A 56 2.675 -2.155 -3.558 1.00 0.00 O ATOM 858 CB SER A 56 4.228 0.214 -2.188 1.00 0.00 C ATOM 859 OG SER A 56 4.389 -1.010 -1.486 1.00 0.00 O ATOM 0 H SER A 56 1.945 -0.470 -1.220 1.00 0.00 H new ATOM 0 HA SER A 56 2.845 1.076 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.081 0.385 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.194 1.047 -1.486 1.00 0.00 H new ATOM 0 HG SER A 56 4.104 -0.893 -0.556 1.00 0.00 H new ATOM 865 N ASP A 57 3.327 -0.826 -5.192 1.00 0.00 N ATOM 866 CA ASP A 57 3.371 -1.949 -6.176 1.00 0.00 C ATOM 867 C ASP A 57 4.820 -2.331 -6.490 1.00 0.00 C ATOM 868 O ASP A 57 5.106 -2.879 -7.536 1.00 0.00 O ATOM 869 CB ASP A 57 2.677 -1.515 -7.468 1.00 0.00 C ATOM 870 CG ASP A 57 1.666 -2.583 -7.889 1.00 0.00 C ATOM 871 OD1 ASP A 57 0.685 -2.754 -7.183 1.00 0.00 O ATOM 872 OD2 ASP A 57 1.888 -3.211 -8.911 1.00 0.00 O ATOM 0 H ASP A 57 3.588 0.086 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 57 2.862 -2.812 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.172 -0.560 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.414 -1.366 -8.257 1.00 0.00 H new ATOM 877 N TRP A 58 5.738 -2.061 -5.600 1.00 0.00 N ATOM 878 CA TRP A 58 7.157 -2.428 -5.875 1.00 0.00 C ATOM 879 C TRP A 58 7.644 -1.663 -7.109 1.00 0.00 C ATOM 880 O TRP A 58 6.904 -1.452 -8.048 1.00 0.00 O ATOM 881 CB TRP A 58 7.233 -3.933 -6.146 1.00 0.00 C ATOM 882 CG TRP A 58 8.540 -4.483 -5.669 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.681 -4.511 -6.396 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.857 -5.094 -4.385 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.678 -5.103 -5.639 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.218 -5.479 -4.392 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.102 -5.349 -3.225 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.810 -6.095 -3.289 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.696 -5.968 -2.112 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.045 -6.342 -2.146 1.00 0.00 C ATOM 0 H TRP A 58 5.569 -1.606 -4.703 1.00 0.00 H new ATOM 0 HA TRP A 58 7.783 -2.174 -5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.411 -4.442 -5.642 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.119 -4.123 -7.213 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.795 -4.134 -7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.635 -5.244 -5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.060 -5.067 -3.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.852 -6.379 -3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.109 -6.156 -1.225 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.494 -6.821 -1.289 1.00 0.00 H new ATOM 901 N ASN A 59 8.880 -1.240 -7.120 1.00 0.00 N ATOM 902 CA ASN A 59 9.389 -0.488 -8.303 1.00 0.00 C ATOM 903 C ASN A 59 10.892 -0.704 -8.451 1.00 0.00 C ATOM 904 O ASN A 59 11.529 -1.223 -7.569 1.00 0.00 O ATOM 905 CB ASN A 59 9.101 1.006 -8.121 1.00 0.00 C ATOM 906 CG ASN A 59 7.838 1.193 -7.276 1.00 0.00 C ATOM 907 OD1 ASN A 59 6.667 0.986 -7.816 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 7.918 1.532 -6.112 1.00 0.00 N flip ATOM 0 H ASN A 59 9.554 -1.381 -6.368 1.00 0.00 H new ATOM 0 HA ASN A 59 8.887 -0.850 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.948 1.492 -7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.973 1.482 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.832 1.694 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.071 1.655 -5.557 1.00 0.00 H new ATOM 915 N MET A 60 11.464 -0.324 -9.566 1.00 0.00 N ATOM 916 CA MET A 60 12.931 -0.521 -9.746 1.00 0.00 C ATOM 917 C MET A 60 13.617 0.616 -10.549 1.00 0.00 C ATOM 918 O MET A 60 14.681 0.380 -11.088 1.00 0.00 O ATOM 919 CB MET A 60 13.162 -1.847 -10.474 1.00 0.00 C ATOM 920 CG MET A 60 12.416 -1.833 -11.809 1.00 0.00 C ATOM 921 SD MET A 60 13.610 -1.819 -13.169 1.00 0.00 S ATOM 922 CE MET A 60 12.725 -2.959 -14.260 1.00 0.00 C ATOM 0 H MET A 60 10.981 0.111 -10.353 1.00 0.00 H new ATOM 0 HA MET A 60 13.377 -0.519 -8.751 1.00 0.00 H new ATOM 0 HB2 MET A 60 14.228 -2.001 -10.643 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.814 -2.677 -9.859 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.771 -2.708 -11.886 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.771 -0.956 -11.868 1.00 0.00 H new ATOM 0 HE1 MET A 60 13.294 -3.098 -15.179 1.00 0.00 H new ATOM 0 HE2 MET A 60 12.602 -3.920 -13.760 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.745 -2.547 -14.499 1.00 0.00 H new ATOM 932 N PRO A 61 13.062 1.823 -10.604 1.00 0.00 N ATOM 933 CA PRO A 61 13.737 2.915 -11.329 1.00 0.00 C ATOM 934 C PRO A 61 15.112 3.141 -10.700 1.00 0.00 C ATOM 935 O PRO A 61 16.133 3.103 -11.359 1.00 0.00 O ATOM 936 CB PRO A 61 12.859 4.153 -11.107 1.00 0.00 C ATOM 937 CG PRO A 61 11.673 3.728 -10.211 1.00 0.00 C ATOM 938 CD PRO A 61 11.775 2.211 -9.989 1.00 0.00 C ATOM 0 HA PRO A 61 13.869 2.698 -12.389 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.432 4.949 -10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.499 4.544 -12.059 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.705 4.257 -9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.725 3.982 -10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.754 1.965 -8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.941 1.686 -10.454 1.00 0.00 H new ATOM 946 N ASN A 62 15.129 3.371 -9.416 1.00 0.00 N ATOM 947 CA ASN A 62 16.412 3.598 -8.697 1.00 0.00 C ATOM 948 C ASN A 62 16.219 3.228 -7.223 1.00 0.00 C ATOM 949 O ASN A 62 17.162 2.951 -6.510 1.00 0.00 O ATOM 950 CB ASN A 62 16.808 5.073 -8.810 1.00 0.00 C ATOM 951 CG ASN A 62 15.750 5.823 -9.623 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.758 5.730 -10.924 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 14.907 6.500 -9.067 1.00 0.00 N flip ATOM 0 H ASN A 62 14.297 3.412 -8.828 1.00 0.00 H new ATOM 0 HA ASN A 62 17.199 2.984 -9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.899 5.513 -7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.783 5.164 -9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.901 6.573 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.206 6.995 -9.618 1.00 0.00 H new ATOM 960 N MET A 63 14.992 3.218 -6.768 1.00 0.00 N ATOM 961 CA MET A 63 14.713 2.865 -5.345 1.00 0.00 C ATOM 962 C MET A 63 13.320 2.231 -5.251 1.00 0.00 C ATOM 963 O MET A 63 12.317 2.913 -5.315 1.00 0.00 O ATOM 964 CB MET A 63 14.752 4.131 -4.484 1.00 0.00 C ATOM 965 CG MET A 63 16.159 4.732 -4.512 1.00 0.00 C ATOM 966 SD MET A 63 16.297 6.022 -3.247 1.00 0.00 S ATOM 967 CE MET A 63 16.159 4.957 -1.788 1.00 0.00 C ATOM 0 H MET A 63 14.167 3.441 -7.325 1.00 0.00 H new ATOM 0 HA MET A 63 15.466 2.162 -4.988 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.029 4.857 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.468 3.894 -3.459 1.00 0.00 H new ATOM 0 HG2 MET A 63 16.901 3.954 -4.334 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.366 5.151 -5.497 1.00 0.00 H new ATOM 0 HE1 MET A 63 16.734 5.387 -0.968 1.00 0.00 H new ATOM 0 HE2 MET A 63 15.112 4.876 -1.494 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.547 3.966 -2.023 1.00 0.00 H new ATOM 977 N ASP A 64 13.246 0.934 -5.111 1.00 0.00 N ATOM 978 CA ASP A 64 11.912 0.265 -5.028 1.00 0.00 C ATOM 979 C ASP A 64 11.115 0.822 -3.848 1.00 0.00 C ATOM 980 O ASP A 64 11.538 1.740 -3.175 1.00 0.00 O ATOM 981 CB ASP A 64 12.098 -1.241 -4.839 1.00 0.00 C ATOM 982 CG ASP A 64 12.883 -1.503 -3.553 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.089 -0.560 -2.806 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.264 -2.642 -3.336 1.00 0.00 O ATOM 0 H ASP A 64 14.050 0.309 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 64 11.369 0.456 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.127 -1.734 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.628 -1.662 -5.693 1.00 0.00 H new ATOM 989 N GLY A 65 9.958 0.269 -3.599 1.00 0.00 N ATOM 990 CA GLY A 65 9.124 0.761 -2.467 1.00 0.00 C ATOM 991 C GLY A 65 9.527 0.041 -1.179 1.00 0.00 C ATOM 992 O GLY A 65 9.049 0.360 -0.109 1.00 0.00 O ATOM 0 H GLY A 65 9.555 -0.502 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.252 1.837 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.069 0.587 -2.678 1.00 0.00 H new ATOM 996 N LEU A 66 10.407 -0.920 -1.258 1.00 0.00 N ATOM 997 CA LEU A 66 10.822 -1.621 -0.013 1.00 0.00 C ATOM 998 C LEU A 66 11.531 -0.608 0.879 1.00 0.00 C ATOM 999 O LEU A 66 11.202 -0.450 2.039 1.00 0.00 O ATOM 1000 CB LEU A 66 11.765 -2.786 -0.343 1.00 0.00 C ATOM 1001 CG LEU A 66 12.289 -3.424 0.957 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.113 -3.847 1.840 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.136 -4.658 0.627 1.00 0.00 C ATOM 0 H LEU A 66 10.850 -1.245 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 66 9.950 -2.031 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.239 -3.533 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.601 -2.429 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 66 12.899 -2.692 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.491 -4.298 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.510 -2.973 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.499 -4.572 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.504 -5.105 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.526 -5.385 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.981 -4.363 0.005 1.00 0.00 H new ATOM 1015 N GLU A 67 12.488 0.102 0.340 1.00 0.00 N ATOM 1016 CA GLU A 67 13.191 1.127 1.157 1.00 0.00 C ATOM 1017 C GLU A 67 12.129 1.982 1.838 1.00 0.00 C ATOM 1018 O GLU A 67 12.349 2.566 2.880 1.00 0.00 O ATOM 1019 CB GLU A 67 14.054 2.006 0.248 1.00 0.00 C ATOM 1020 CG GLU A 67 15.160 2.665 1.074 1.00 0.00 C ATOM 1021 CD GLU A 67 16.414 1.792 1.035 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.347 0.672 1.514 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.421 2.258 0.528 1.00 0.00 O ATOM 0 H GLU A 67 12.809 0.015 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 67 13.835 0.653 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.491 1.404 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.438 2.769 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.382 3.656 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.829 2.799 2.104 1.00 0.00 H new ATOM 1030 N LEU A 68 10.963 2.033 1.255 1.00 0.00 N ATOM 1031 CA LEU A 68 9.852 2.816 1.851 1.00 0.00 C ATOM 1032 C LEU A 68 9.395 2.104 3.123 1.00 0.00 C ATOM 1033 O LEU A 68 9.417 2.660 4.198 1.00 0.00 O ATOM 1034 CB LEU A 68 8.694 2.878 0.850 1.00 0.00 C ATOM 1035 CG LEU A 68 8.036 4.258 0.892 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.962 5.296 0.249 1.00 0.00 C ATOM 1037 CD2 LEU A 68 6.717 4.206 0.116 1.00 0.00 C ATOM 0 H LEU A 68 10.733 1.559 0.381 1.00 0.00 H new ATOM 0 HA LEU A 68 10.178 3.829 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.061 2.672 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.959 2.109 1.085 1.00 0.00 H new ATOM 0 HG LEU A 68 7.848 4.539 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.488 6.277 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.905 5.330 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.153 5.020 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.241 5.186 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.914 3.925 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.055 3.470 0.572 1.00 0.00 H new ATOM 1049 N LEU A 69 9.003 0.864 3.000 1.00 0.00 N ATOM 1050 CA LEU A 69 8.560 0.079 4.190 1.00 0.00 C ATOM 1051 C LEU A 69 9.615 0.206 5.294 1.00 0.00 C ATOM 1052 O LEU A 69 9.335 0.590 6.411 1.00 0.00 O ATOM 1053 CB LEU A 69 8.446 -1.381 3.779 1.00 0.00 C ATOM 1054 CG LEU A 69 7.303 -2.068 4.532 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.264 -3.549 4.149 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.508 -1.954 6.049 1.00 0.00 C ATOM 0 H LEU A 69 8.970 0.356 2.116 1.00 0.00 H new ATOM 0 HA LEU A 69 7.602 0.449 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.273 -1.449 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.385 -1.896 3.984 1.00 0.00 H new ATOM 0 HG LEU A 69 6.366 -1.580 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.452 -4.042 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.102 -3.643 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.211 -4.019 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.685 -2.448 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.449 -2.430 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.536 -0.902 6.334 1.00 0.00 H new ATOM 1068 N LYS A 70 10.834 -0.126 4.982 1.00 0.00 N ATOM 1069 CA LYS A 70 11.918 -0.028 6.000 1.00 0.00 C ATOM 1070 C LYS A 70 12.036 1.423 6.480 1.00 0.00 C ATOM 1071 O LYS A 70 12.053 1.694 7.664 1.00 0.00 O ATOM 1072 CB LYS A 70 13.244 -0.466 5.374 1.00 0.00 C ATOM 1073 CG LYS A 70 13.631 -1.848 5.905 1.00 0.00 C ATOM 1074 CD LYS A 70 14.788 -2.408 5.071 1.00 0.00 C ATOM 1075 CE LYS A 70 15.658 -3.323 5.935 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.802 -3.830 5.123 1.00 0.00 N ATOM 0 H LYS A 70 11.129 -0.462 4.065 1.00 0.00 H new ATOM 0 HA LYS A 70 11.683 -0.674 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.153 -0.495 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.025 0.257 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.924 -1.778 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.775 -2.521 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.398 -2.963 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.389 -1.591 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.028 -2.778 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.066 -4.158 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.395 -4.452 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.439 -4.364 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.371 -3.027 4.786 1.00 0.00 H new ATOM 1090 N THR A 71 12.118 2.357 5.569 1.00 0.00 N ATOM 1091 CA THR A 71 12.235 3.789 5.974 1.00 0.00 C ATOM 1092 C THR A 71 10.918 4.252 6.598 1.00 0.00 C ATOM 1093 O THR A 71 10.852 5.278 7.247 1.00 0.00 O ATOM 1094 CB THR A 71 12.545 4.646 4.743 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.773 4.219 4.169 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.653 6.116 5.151 1.00 0.00 C ATOM 0 H THR A 71 12.109 2.190 4.563 1.00 0.00 H new ATOM 0 HA THR A 71 13.040 3.895 6.702 1.00 0.00 H new ATOM 0 HB THR A 71 11.743 4.535 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.661 3.325 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.874 6.722 4.272 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.710 6.442 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.453 6.233 5.882 1.00 0.00 H new ATOM 1104 N ILE A 72 9.870 3.499 6.415 1.00 0.00 N ATOM 1105 CA ILE A 72 8.557 3.884 7.004 1.00 0.00 C ATOM 1106 C ILE A 72 8.575 3.523 8.488 1.00 0.00 C ATOM 1107 O ILE A 72 7.927 4.152 9.295 1.00 0.00 O ATOM 1108 CB ILE A 72 7.438 3.114 6.284 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.856 3.969 5.153 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.324 2.727 7.265 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.222 3.059 4.087 1.00 0.00 C ATOM 0 H ILE A 72 9.866 2.630 5.881 1.00 0.00 H new ATOM 0 HA ILE A 72 8.379 4.953 6.888 1.00 0.00 H new ATOM 0 HB ILE A 72 7.865 2.203 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.108 4.655 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.641 4.578 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.543 2.183 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.735 2.094 8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.901 3.628 7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.809 3.671 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.982 2.391 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.425 2.469 4.540 1.00 0.00 H new ATOM 1123 N ARG A 73 9.313 2.507 8.847 1.00 0.00 N ATOM 1124 CA ARG A 73 9.376 2.092 10.278 1.00 0.00 C ATOM 1125 C ARG A 73 10.287 3.044 11.058 1.00 0.00 C ATOM 1126 O ARG A 73 10.051 3.337 12.213 1.00 0.00 O ATOM 1127 CB ARG A 73 9.937 0.671 10.367 1.00 0.00 C ATOM 1128 CG ARG A 73 8.797 -0.314 10.629 1.00 0.00 C ATOM 1129 CD ARG A 73 9.292 -1.742 10.388 1.00 0.00 C ATOM 1130 NE ARG A 73 10.675 -1.885 10.926 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.967 -2.877 11.721 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.783 -4.107 11.327 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.447 -2.640 12.912 1.00 0.00 N ATOM 0 H ARG A 73 9.876 1.945 8.209 1.00 0.00 H new ATOM 0 HA ARG A 73 8.374 2.123 10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.449 0.412 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.675 0.610 11.167 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.440 -0.209 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.954 -0.094 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.626 -2.456 10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.280 -1.968 9.322 1.00 0.00 H new ATOM 0 HE ARG A 73 11.393 -1.207 10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.410 -4.294 10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.012 -4.882 11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.594 -1.679 13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.675 -3.416 13.534 1.00 0.00 H new ATOM 1147 N ALA A 74 11.329 3.522 10.437 1.00 0.00 N ATOM 1148 CA ALA A 74 12.266 4.447 11.138 1.00 0.00 C ATOM 1149 C ALA A 74 11.479 5.511 11.910 1.00 0.00 C ATOM 1150 O ALA A 74 11.939 6.035 12.905 1.00 0.00 O ATOM 1151 CB ALA A 74 13.164 5.134 10.108 1.00 0.00 C ATOM 0 H ALA A 74 11.574 3.311 9.470 1.00 0.00 H new ATOM 0 HA ALA A 74 12.873 3.874 11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.850 5.811 10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.734 4.382 9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.549 5.700 9.409 1.00 0.00 H new ATOM 1157 N ASP A 75 10.301 5.841 11.459 1.00 0.00 N ATOM 1158 CA ASP A 75 9.496 6.878 12.165 1.00 0.00 C ATOM 1159 C ASP A 75 9.104 6.376 13.559 1.00 0.00 C ATOM 1160 O ASP A 75 7.989 5.949 13.786 1.00 0.00 O ATOM 1161 CB ASP A 75 8.234 7.183 11.355 1.00 0.00 C ATOM 1162 CG ASP A 75 8.478 8.408 10.473 1.00 0.00 C ATOM 1163 OD1 ASP A 75 9.276 8.305 9.555 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.863 9.431 10.730 1.00 0.00 O ATOM 0 H ASP A 75 9.860 5.438 10.632 1.00 0.00 H new ATOM 0 HA ASP A 75 10.091 7.785 12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.969 6.324 10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.394 7.366 12.025 1.00 0.00 H new ATOM 1169 N GLY A 76 10.014 6.437 14.496 1.00 0.00 N ATOM 1170 CA GLY A 76 9.705 5.979 15.884 1.00 0.00 C ATOM 1171 C GLY A 76 8.933 4.658 15.846 1.00 0.00 C ATOM 1172 O GLY A 76 8.983 3.924 14.879 1.00 0.00 O ATOM 0 H GLY A 76 10.963 6.786 14.359 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.630 5.852 16.447 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.118 6.737 16.402 1.00 0.00 H new ATOM 1176 N ALA A 77 8.217 4.353 16.896 1.00 0.00 N ATOM 1177 CA ALA A 77 7.439 3.082 16.928 1.00 0.00 C ATOM 1178 C ALA A 77 6.105 3.277 16.205 1.00 0.00 C ATOM 1179 O ALA A 77 5.334 2.352 16.045 1.00 0.00 O ATOM 1180 CB ALA A 77 7.177 2.680 18.380 1.00 0.00 C ATOM 0 H ALA A 77 8.138 4.930 17.733 1.00 0.00 H new ATOM 0 HA ALA A 77 8.009 2.298 16.430 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.608 1.751 18.403 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.127 2.537 18.895 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.609 3.466 18.878 1.00 0.00 H new ATOM 1186 N MET A 78 5.828 4.473 15.762 1.00 0.00 N ATOM 1187 CA MET A 78 4.545 4.718 15.045 1.00 0.00 C ATOM 1188 C MET A 78 4.760 4.483 13.552 1.00 0.00 C ATOM 1189 O MET A 78 3.827 4.457 12.773 1.00 0.00 O ATOM 1190 CB MET A 78 4.095 6.161 15.279 1.00 0.00 C ATOM 1191 CG MET A 78 2.582 6.263 15.077 1.00 0.00 C ATOM 1192 SD MET A 78 1.738 5.796 16.608 1.00 0.00 S ATOM 1193 CE MET A 78 0.299 5.012 15.843 1.00 0.00 C ATOM 0 H MET A 78 6.432 5.288 15.865 1.00 0.00 H new ATOM 0 HA MET A 78 3.777 4.040 15.418 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.360 6.477 16.288 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.610 6.830 14.590 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.310 7.280 14.794 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.268 5.611 14.262 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.370 4.643 16.620 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.227 5.741 15.226 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.626 4.179 15.221 1.00 0.00 H new ATOM 1203 N SER A 79 5.988 4.303 13.152 1.00 0.00 N ATOM 1204 CA SER A 79 6.283 4.059 11.714 1.00 0.00 C ATOM 1205 C SER A 79 5.501 5.047 10.846 1.00 0.00 C ATOM 1206 O SER A 79 5.656 6.246 10.953 1.00 0.00 O ATOM 1207 CB SER A 79 5.875 2.631 11.350 1.00 0.00 C ATOM 1208 OG SER A 79 6.586 1.714 12.170 1.00 0.00 O ATOM 0 H SER A 79 6.804 4.315 13.764 1.00 0.00 H new ATOM 0 HA SER A 79 7.350 4.195 11.538 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.801 2.502 11.487 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.088 2.437 10.299 1.00 0.00 H new ATOM 0 HG SER A 79 6.325 0.798 11.939 1.00 0.00 H new ATOM 1214 N ALA A 80 4.647 4.547 9.994 1.00 0.00 N ATOM 1215 CA ALA A 80 3.839 5.442 9.127 1.00 0.00 C ATOM 1216 C ALA A 80 2.511 4.754 8.833 1.00 0.00 C ATOM 1217 O ALA A 80 2.158 4.503 7.699 1.00 0.00 O ATOM 1218 CB ALA A 80 4.574 5.732 7.816 1.00 0.00 C ATOM 0 H ALA A 80 4.476 3.550 9.863 1.00 0.00 H new ATOM 0 HA ALA A 80 3.671 6.390 9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.965 6.389 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.526 6.216 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.755 4.797 7.286 1.00 0.00 H new ATOM 1224 N LEU A 81 1.764 4.476 9.864 1.00 0.00 N ATOM 1225 CA LEU A 81 0.450 3.836 9.700 1.00 0.00 C ATOM 1226 C LEU A 81 0.591 2.620 8.734 1.00 0.00 C ATOM 1227 O LEU A 81 1.696 2.290 8.351 1.00 0.00 O ATOM 1228 CB LEU A 81 -0.526 4.925 9.237 1.00 0.00 C ATOM 1229 CG LEU A 81 -0.048 6.322 9.700 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -1.138 7.358 9.420 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.225 6.314 11.209 1.00 0.00 C ATOM 0 H LEU A 81 2.023 4.674 10.830 1.00 0.00 H new ATOM 0 HA LEU A 81 0.053 3.419 10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.611 4.906 8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.520 4.724 9.638 1.00 0.00 H new ATOM 0 HG LEU A 81 0.864 6.571 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.799 8.341 9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.349 7.384 8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.044 7.088 9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.561 7.302 11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.689 6.055 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.998 5.579 11.435 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.498 1.924 8.443 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.459 0.680 7.622 1.00 0.00 C ATOM 1245 C PRO A 82 0.032 0.858 6.175 1.00 0.00 C ATOM 1246 O PRO A 82 -0.280 1.810 5.483 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.905 0.165 7.622 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.751 1.129 8.483 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.851 2.303 8.885 1.00 0.00 C ATOM 0 HA PRO A 82 0.266 -0.007 8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.294 0.120 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.950 -0.847 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.616 1.484 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.132 0.618 9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.176 3.228 8.409 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.881 2.471 9.962 1.00 0.00 H new ATOM 1257 N VAL A 83 0.765 -0.127 5.716 1.00 0.00 N ATOM 1258 CA VAL A 83 1.275 -0.147 4.315 1.00 0.00 C ATOM 1259 C VAL A 83 1.090 -1.545 3.778 1.00 0.00 C ATOM 1260 O VAL A 83 1.856 -2.420 4.112 1.00 0.00 O ATOM 1261 CB VAL A 83 2.778 0.113 4.257 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.316 -0.367 2.891 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.068 1.591 4.434 1.00 0.00 C ATOM 0 H VAL A 83 1.036 -0.938 6.272 1.00 0.00 H new ATOM 0 HA VAL A 83 0.739 0.618 3.753 1.00 0.00 H new ATOM 0 HB VAL A 83 3.270 -0.432 5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.390 -0.186 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.122 -1.434 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.817 0.179 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.144 1.758 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.580 2.155 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.688 1.923 5.400 1.00 0.00 H new ATOM 1273 N LEU A 84 0.132 -1.790 2.944 1.00 0.00 N ATOM 1274 CA LEU A 84 0.026 -3.169 2.427 1.00 0.00 C ATOM 1275 C LEU A 84 0.838 -3.219 1.149 1.00 0.00 C ATOM 1276 O LEU A 84 0.440 -2.696 0.127 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.442 -3.550 2.173 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.617 -5.035 1.745 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.502 -5.950 2.277 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.945 -5.550 2.297 1.00 0.00 C ATOM 0 H LEU A 84 -0.561 -1.122 2.607 1.00 0.00 H new ATOM 0 HA LEU A 84 0.408 -3.888 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.021 -3.367 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.851 -2.903 1.397 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.582 -5.060 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.681 -6.973 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.461 -5.608 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.495 -5.919 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.081 -6.591 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.940 -5.476 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.762 -4.951 1.896 1.00 0.00 H new ATOM 1292 N MET A 85 1.994 -3.813 1.200 1.00 0.00 N ATOM 1293 CA MET A 85 2.829 -3.846 -0.018 1.00 0.00 C ATOM 1294 C MET A 85 2.279 -4.909 -0.959 1.00 0.00 C ATOM 1295 O MET A 85 2.197 -6.073 -0.626 1.00 0.00 O ATOM 1296 CB MET A 85 4.282 -4.159 0.351 1.00 0.00 C ATOM 1297 CG MET A 85 5.151 -4.111 -0.909 1.00 0.00 C ATOM 1298 SD MET A 85 6.872 -3.789 -0.446 1.00 0.00 S ATOM 1299 CE MET A 85 6.773 -1.982 -0.422 1.00 0.00 C ATOM 0 H MET A 85 2.389 -4.270 2.022 1.00 0.00 H new ATOM 0 HA MET A 85 2.804 -2.875 -0.512 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.645 -3.439 1.084 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.347 -5.144 0.813 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.079 -5.055 -1.449 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.792 -3.331 -1.581 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.661 -1.575 0.063 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.714 -1.607 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.885 -1.674 0.130 1.00 0.00 H new ATOM 1309 N VAL A 86 1.878 -4.508 -2.125 1.00 0.00 N ATOM 1310 CA VAL A 86 1.301 -5.473 -3.092 1.00 0.00 C ATOM 1311 C VAL A 86 2.293 -5.711 -4.235 1.00 0.00 C ATOM 1312 O VAL A 86 3.021 -4.827 -4.634 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.024 -4.895 -3.604 1.00 0.00 C ATOM 1314 CG1 VAL A 86 0.151 -3.431 -3.997 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.539 -5.693 -4.801 1.00 0.00 C ATOM 0 H VAL A 86 1.925 -3.544 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 86 1.110 -6.437 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.755 -4.964 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.798 -3.035 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.476 -2.858 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.900 -3.353 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.480 -5.264 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.195 -5.655 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.700 -6.730 -4.505 1.00 0.00 H new ATOM 1325 N THR A 87 2.324 -6.910 -4.762 1.00 0.00 N ATOM 1326 CA THR A 87 3.266 -7.203 -5.880 1.00 0.00 C ATOM 1327 C THR A 87 2.670 -8.287 -6.784 1.00 0.00 C ATOM 1328 O THR A 87 1.537 -8.694 -6.615 1.00 0.00 O ATOM 1329 CB THR A 87 4.606 -7.685 -5.317 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.431 -8.131 -6.383 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.368 -8.834 -4.338 1.00 0.00 C ATOM 0 H THR A 87 1.740 -7.693 -4.467 1.00 0.00 H new ATOM 0 HA THR A 87 3.426 -6.294 -6.460 1.00 0.00 H new ATOM 0 HB THR A 87 5.097 -6.864 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.649 -7.374 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.323 -9.175 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.735 -8.490 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.876 -9.657 -4.856 1.00 0.00 H new ATOM 1339 N ALA A 88 3.434 -8.753 -7.740 1.00 0.00 N ATOM 1340 CA ALA A 88 2.936 -9.813 -8.667 1.00 0.00 C ATOM 1341 C ALA A 88 3.964 -10.941 -8.733 1.00 0.00 C ATOM 1342 O ALA A 88 3.631 -12.106 -8.636 1.00 0.00 O ATOM 1343 CB ALA A 88 2.740 -9.222 -10.063 1.00 0.00 C ATOM 0 H ALA A 88 4.389 -8.441 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 88 1.985 -10.201 -8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.377 -9.997 -10.738 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.013 -8.411 -10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.690 -8.836 -10.431 1.00 0.00 H new ATOM 1349 N GLU A 89 5.215 -10.603 -8.889 1.00 0.00 N ATOM 1350 CA GLU A 89 6.269 -11.653 -8.952 1.00 0.00 C ATOM 1351 C GLU A 89 6.511 -12.206 -7.547 1.00 0.00 C ATOM 1352 O GLU A 89 7.580 -12.690 -7.234 1.00 0.00 O ATOM 1353 CB GLU A 89 7.565 -11.042 -9.490 1.00 0.00 C ATOM 1354 CG GLU A 89 7.855 -9.732 -8.755 1.00 0.00 C ATOM 1355 CD GLU A 89 9.329 -9.359 -8.939 1.00 0.00 C ATOM 1356 OE1 GLU A 89 9.828 -9.528 -10.038 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.930 -8.911 -7.976 1.00 0.00 O ATOM 0 H GLU A 89 5.552 -9.644 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 89 5.947 -12.458 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.392 -11.739 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.476 -10.859 -10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.217 -8.937 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.625 -9.839 -7.695 1.00 0.00 H new ATOM 1364 N ALA A 90 5.523 -12.133 -6.697 1.00 0.00 N ATOM 1365 CA ALA A 90 5.688 -12.648 -5.312 1.00 0.00 C ATOM 1366 C ALA A 90 6.200 -14.091 -5.362 1.00 0.00 C ATOM 1367 O ALA A 90 5.436 -15.028 -5.489 1.00 0.00 O ATOM 1368 CB ALA A 90 4.338 -12.599 -4.592 1.00 0.00 C ATOM 0 H ALA A 90 4.606 -11.737 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 90 6.408 -12.032 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.454 -12.976 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.980 -11.570 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.617 -13.217 -5.128 1.00 0.00 H new ATOM 1374 N LYS A 91 7.492 -14.272 -5.267 1.00 0.00 N ATOM 1375 CA LYS A 91 8.065 -15.648 -5.312 1.00 0.00 C ATOM 1376 C LYS A 91 8.374 -16.119 -3.889 1.00 0.00 C ATOM 1377 O LYS A 91 7.731 -17.008 -3.366 1.00 0.00 O ATOM 1378 CB LYS A 91 9.351 -15.633 -6.143 1.00 0.00 C ATOM 1379 CG LYS A 91 9.363 -16.843 -7.081 1.00 0.00 C ATOM 1380 CD LYS A 91 10.690 -16.893 -7.842 1.00 0.00 C ATOM 1381 CE LYS A 91 10.850 -15.624 -8.683 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.707 -15.917 -9.867 1.00 0.00 N ATOM 0 H LYS A 91 8.176 -13.523 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 91 7.347 -16.330 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.414 -14.711 -6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.221 -15.658 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.226 -17.760 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.532 -16.779 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.519 -16.983 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.719 -17.773 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.874 -15.265 -9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.298 -14.832 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.816 -15.055 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.642 -16.241 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.262 -16.660 -10.443 1.00 0.00 H new ATOM 1396 N LYS A 92 9.351 -15.531 -3.255 1.00 0.00 N ATOM 1397 CA LYS A 92 9.697 -15.944 -1.866 1.00 0.00 C ATOM 1398 C LYS A 92 10.692 -14.945 -1.272 1.00 0.00 C ATOM 1399 O LYS A 92 10.566 -14.527 -0.139 1.00 0.00 O ATOM 1400 CB LYS A 92 10.321 -17.342 -1.885 1.00 0.00 C ATOM 1401 CG LYS A 92 11.221 -17.492 -3.114 1.00 0.00 C ATOM 1402 CD LYS A 92 11.951 -18.836 -3.053 1.00 0.00 C ATOM 1403 CE LYS A 92 13.454 -18.596 -2.909 1.00 0.00 C ATOM 1404 NZ LYS A 92 14.159 -19.906 -2.813 1.00 0.00 N ATOM 0 H LYS A 92 9.925 -14.781 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 92 8.793 -15.963 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.901 -17.504 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.538 -18.100 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.624 -17.431 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.943 -16.676 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.584 -19.423 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.749 -19.412 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.827 -18.032 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.654 -17.997 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.182 -19.744 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.810 -20.428 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.978 -20.462 -3.673 1.00 0.00 H new ATOM 1418 N GLU A 93 11.683 -14.562 -2.029 1.00 0.00 N ATOM 1419 CA GLU A 93 12.684 -13.598 -1.514 1.00 0.00 C ATOM 1420 C GLU A 93 12.126 -12.176 -1.600 1.00 0.00 C ATOM 1421 O GLU A 93 12.538 -11.293 -0.874 1.00 0.00 O ATOM 1422 CB GLU A 93 13.964 -13.696 -2.348 1.00 0.00 C ATOM 1423 CG GLU A 93 13.601 -13.912 -3.819 1.00 0.00 C ATOM 1424 CD GLU A 93 14.827 -13.647 -4.695 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.609 -12.780 -4.339 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.964 -14.315 -5.707 1.00 0.00 O ATOM 0 H GLU A 93 11.839 -14.879 -2.986 1.00 0.00 H new ATOM 0 HA GLU A 93 12.908 -13.834 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.553 -12.785 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.581 -14.520 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.247 -14.932 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.787 -13.246 -4.105 1.00 0.00 H new ATOM 1433 N ASN A 94 11.195 -11.944 -2.487 1.00 0.00 N ATOM 1434 CA ASN A 94 10.618 -10.576 -2.621 1.00 0.00 C ATOM 1435 C ASN A 94 9.439 -10.412 -1.658 1.00 0.00 C ATOM 1436 O ASN A 94 9.142 -9.322 -1.211 1.00 0.00 O ATOM 1437 CB ASN A 94 10.140 -10.362 -4.058 1.00 0.00 C ATOM 1438 CG ASN A 94 10.473 -8.936 -4.501 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.601 -8.498 -4.381 1.00 0.00 O ATOM 1440 ND2 ASN A 94 9.534 -8.189 -5.013 1.00 0.00 N ATOM 0 H ASN A 94 10.810 -12.642 -3.123 1.00 0.00 H new ATOM 0 HA ASN A 94 11.383 -9.838 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.619 -11.081 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.066 -10.533 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.746 -7.237 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.588 -8.557 -5.114 1.00 0.00 H new ATOM 1447 N ILE A 95 8.765 -11.481 -1.328 1.00 0.00 N ATOM 1448 CA ILE A 95 7.614 -11.366 -0.387 1.00 0.00 C ATOM 1449 C ILE A 95 8.148 -11.111 1.020 1.00 0.00 C ATOM 1450 O ILE A 95 7.823 -10.125 1.652 1.00 0.00 O ATOM 1451 CB ILE A 95 6.800 -12.664 -0.385 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.833 -12.665 -1.572 1.00 0.00 C ATOM 1453 CG2 ILE A 95 6.004 -12.763 0.920 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.231 -14.062 -1.738 1.00 0.00 C ATOM 0 H ILE A 95 8.960 -12.423 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 95 6.973 -10.544 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 95 7.475 -13.516 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.042 -11.933 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.357 -12.373 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.424 -13.686 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.691 -12.763 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.330 -11.910 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.542 -14.063 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.029 -14.783 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.693 -14.336 -0.831 1.00 0.00 H new ATOM 1466 N ILE A 96 8.967 -11.995 1.516 1.00 0.00 N ATOM 1467 CA ILE A 96 9.524 -11.805 2.881 1.00 0.00 C ATOM 1468 C ILE A 96 10.319 -10.502 2.921 1.00 0.00 C ATOM 1469 O ILE A 96 10.422 -9.863 3.943 1.00 0.00 O ATOM 1470 CB ILE A 96 10.446 -12.976 3.229 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.608 -14.230 3.485 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.248 -12.635 4.486 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.465 -15.475 3.244 1.00 0.00 C ATOM 0 H ILE A 96 9.274 -12.840 1.035 1.00 0.00 H new ATOM 0 HA ILE A 96 8.710 -11.762 3.604 1.00 0.00 H new ATOM 0 HB ILE A 96 11.128 -13.159 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.232 -14.227 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.739 -14.240 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.905 -13.468 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.846 -11.742 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.565 -12.451 5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.868 -16.369 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.819 -15.479 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.319 -15.465 3.921 1.00 0.00 H new ATOM 1485 N ALA A 97 10.885 -10.103 1.819 1.00 0.00 N ATOM 1486 CA ALA A 97 11.675 -8.842 1.807 1.00 0.00 C ATOM 1487 C ALA A 97 10.864 -7.711 2.445 1.00 0.00 C ATOM 1488 O ALA A 97 11.391 -6.895 3.174 1.00 0.00 O ATOM 1489 CB ALA A 97 12.026 -8.470 0.367 1.00 0.00 C ATOM 0 H ALA A 97 10.835 -10.594 0.927 1.00 0.00 H new ATOM 0 HA ALA A 97 12.592 -8.991 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.605 -7.546 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.615 -9.270 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.110 -8.328 -0.206 1.00 0.00 H new ATOM 1495 N ALA A 98 9.589 -7.650 2.175 1.00 0.00 N ATOM 1496 CA ALA A 98 8.756 -6.560 2.767 1.00 0.00 C ATOM 1497 C ALA A 98 8.369 -6.909 4.194 1.00 0.00 C ATOM 1498 O ALA A 98 8.692 -6.208 5.130 1.00 0.00 O ATOM 1499 CB ALA A 98 7.467 -6.381 1.972 1.00 0.00 C ATOM 0 H ALA A 98 9.088 -8.304 1.573 1.00 0.00 H new ATOM 0 HA ALA A 98 9.346 -5.644 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.873 -5.583 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.708 -6.122 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.897 -7.310 1.988 1.00 0.00 H new ATOM 1505 N ALA A 99 7.643 -7.973 4.363 1.00 0.00 N ATOM 1506 CA ALA A 99 7.200 -8.349 5.720 1.00 0.00 C ATOM 1507 C ALA A 99 8.408 -8.428 6.657 1.00 0.00 C ATOM 1508 O ALA A 99 8.293 -8.197 7.843 1.00 0.00 O ATOM 1509 CB ALA A 99 6.511 -9.705 5.675 1.00 0.00 C ATOM 0 H ALA A 99 7.339 -8.597 3.616 1.00 0.00 H new ATOM 0 HA ALA A 99 6.503 -7.596 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.185 -9.981 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.646 -9.652 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.208 -10.455 5.301 1.00 0.00 H new ATOM 1515 N GLN A 100 9.575 -8.734 6.147 1.00 0.00 N ATOM 1516 CA GLN A 100 10.759 -8.777 7.048 1.00 0.00 C ATOM 1517 C GLN A 100 10.820 -7.406 7.692 1.00 0.00 C ATOM 1518 O GLN A 100 11.123 -7.252 8.858 1.00 0.00 O ATOM 1519 CB GLN A 100 12.042 -9.049 6.253 1.00 0.00 C ATOM 1520 CG GLN A 100 13.229 -9.186 7.212 1.00 0.00 C ATOM 1521 CD GLN A 100 13.440 -10.663 7.547 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.607 -11.264 8.353 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 14.374 -11.277 7.072 1.00 0.00 N flip ATOM 0 H GLN A 100 9.754 -8.951 5.167 1.00 0.00 H new ATOM 0 HA GLN A 100 10.673 -9.575 7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.930 -9.961 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.223 -8.237 5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.129 -8.772 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.043 -8.618 8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 100 15.025 -10.808 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.507 -12.262 7.303 1.00 0.00 H new ATOM 1532 N ALA A 101 10.458 -6.414 6.931 1.00 0.00 N ATOM 1533 CA ALA A 101 10.403 -5.037 7.471 1.00 0.00 C ATOM 1534 C ALA A 101 9.120 -4.993 8.295 1.00 0.00 C ATOM 1535 O ALA A 101 8.994 -4.286 9.275 1.00 0.00 O ATOM 1536 CB ALA A 101 10.363 -4.037 6.313 1.00 0.00 C ATOM 0 H ALA A 101 10.196 -6.503 5.949 1.00 0.00 H new ATOM 0 HA ALA A 101 11.270 -4.778 8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.322 -3.023 6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.258 -4.152 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.480 -4.223 5.702 1.00 0.00 H new ATOM 1542 N GLY A 102 8.201 -5.842 7.916 1.00 0.00 N ATOM 1543 CA GLY A 102 6.924 -6.012 8.652 1.00 0.00 C ATOM 1544 C GLY A 102 6.010 -4.802 8.578 1.00 0.00 C ATOM 1545 O GLY A 102 5.812 -4.126 9.569 1.00 0.00 O ATOM 0 H GLY A 102 8.292 -6.443 7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.397 -6.879 8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.144 -6.227 9.698 1.00 0.00 H new ATOM 1549 N ALA A 103 5.405 -4.529 7.451 1.00 0.00 N ATOM 1550 CA ALA A 103 4.477 -3.368 7.434 1.00 0.00 C ATOM 1551 C ALA A 103 3.064 -3.840 7.800 1.00 0.00 C ATOM 1552 O ALA A 103 2.807 -4.272 8.907 1.00 0.00 O ATOM 1553 CB ALA A 103 4.500 -2.772 6.027 1.00 0.00 C ATOM 0 H ALA A 103 5.509 -5.040 6.574 1.00 0.00 H new ATOM 0 HA ALA A 103 4.781 -2.613 8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.827 -1.916 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.513 -2.450 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.177 -3.525 5.308 1.00 0.00 H new ATOM 1559 N SER A 104 2.170 -3.810 6.866 1.00 0.00 N ATOM 1560 CA SER A 104 0.788 -4.306 7.111 1.00 0.00 C ATOM 1561 C SER A 104 0.720 -5.776 6.732 1.00 0.00 C ATOM 1562 O SER A 104 0.189 -6.609 7.439 1.00 0.00 O ATOM 1563 CB SER A 104 -0.222 -3.511 6.286 1.00 0.00 C ATOM 1564 OG SER A 104 -0.622 -4.281 5.161 1.00 0.00 O ATOM 0 H SER A 104 2.336 -3.457 5.923 1.00 0.00 H new ATOM 0 HA SER A 104 0.542 -4.180 8.165 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.090 -3.260 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.220 -2.570 5.958 1.00 0.00 H new ATOM 0 HG SER A 104 -1.600 -4.297 5.107 1.00 0.00 H new ATOM 1570 N GLY A 105 1.245 -6.069 5.573 1.00 0.00 N ATOM 1571 CA GLY A 105 1.218 -7.460 5.046 1.00 0.00 C ATOM 1572 C GLY A 105 1.593 -7.446 3.563 1.00 0.00 C ATOM 1573 O GLY A 105 2.201 -6.504 3.073 1.00 0.00 O ATOM 0 H GLY A 105 1.698 -5.391 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.915 -8.086 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.226 -7.892 5.178 1.00 0.00 H new ATOM 1577 N TYR A 106 1.223 -8.476 2.843 1.00 0.00 N ATOM 1578 CA TYR A 106 1.540 -8.524 1.388 1.00 0.00 C ATOM 1579 C TYR A 106 0.382 -9.160 0.627 1.00 0.00 C ATOM 1580 O TYR A 106 -0.161 -10.168 1.036 1.00 0.00 O ATOM 1581 CB TYR A 106 2.802 -9.354 1.146 1.00 0.00 C ATOM 1582 CG TYR A 106 2.575 -10.291 -0.027 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.479 -9.786 -1.334 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.467 -11.671 0.192 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.279 -10.662 -2.407 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.265 -12.541 -0.883 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.171 -12.037 -2.182 1.00 0.00 C ATOM 1588 OH TYR A 106 1.975 -12.898 -3.241 1.00 0.00 O ATOM 0 H TYR A 106 0.715 -9.284 3.203 1.00 0.00 H new ATOM 0 HA TYR A 106 1.702 -7.505 1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.648 -8.698 0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.050 -9.927 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.559 -8.724 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.540 -12.064 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.208 -10.274 -3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.182 -13.604 -0.709 1.00 0.00 H new ATOM 0 HH TYR A 106 1.923 -13.819 -2.909 1.00 0.00 H new ATOM 1598 N VAL A 107 0.017 -8.588 -0.489 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.095 -9.169 -1.303 1.00 0.00 C ATOM 1600 C VAL A 107 -0.679 -9.192 -2.768 1.00 0.00 C ATOM 1601 O VAL A 107 -0.166 -8.229 -3.293 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.373 -8.332 -1.165 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.085 -6.876 -1.535 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.442 -8.884 -2.120 1.00 0.00 C ATOM 0 H VAL A 107 0.440 -7.743 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.296 -10.178 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.725 -8.383 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.997 -6.288 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.320 -6.476 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.732 -6.825 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.353 -8.293 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.077 -8.829 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.655 -9.922 -1.866 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.905 -10.282 -3.436 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.529 -10.352 -4.869 1.00 0.00 C ATOM 1616 C VAL A 108 -1.390 -9.354 -5.646 1.00 0.00 C ATOM 1617 O VAL A 108 -1.962 -8.449 -5.080 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.784 -11.770 -5.399 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.460 -12.280 -6.125 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.110 -12.708 -4.232 1.00 0.00 C ATOM 0 H VAL A 108 -1.333 -11.125 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 108 0.527 -10.111 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.625 -11.746 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.275 -13.287 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.691 -11.619 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.303 -12.299 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.290 -13.713 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.271 -12.728 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.001 -12.350 -3.716 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.488 -9.516 -6.935 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.324 -8.582 -7.752 1.00 0.00 C ATOM 1632 C LYS A 109 -2.546 -9.205 -9.148 1.00 0.00 C ATOM 1633 O LYS A 109 -1.695 -9.936 -9.615 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.593 -7.228 -7.864 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.486 -7.261 -8.932 1.00 0.00 C ATOM 1636 CD LYS A 109 -1.009 -6.647 -10.236 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.023 -6.930 -11.372 1.00 0.00 C ATOM 1638 NZ LYS A 109 -0.016 -8.388 -11.674 1.00 0.00 N ATOM 0 H LYS A 109 -1.025 -10.256 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.294 -8.418 -7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.312 -6.446 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.159 -6.969 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.386 -6.709 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.165 -8.288 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.987 -7.063 -10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.141 -5.572 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.305 -6.365 -12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.977 -6.602 -11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.961 -8.703 -11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.413 -8.911 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.591 -8.570 -12.522 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.646 -8.892 -9.811 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.730 -8.010 -9.307 1.00 0.00 C ATOM 1654 C PRO A 110 -5.573 -8.747 -8.259 1.00 0.00 C ATOM 1655 O PRO A 110 -5.903 -9.905 -8.423 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.607 -7.735 -10.538 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.000 -8.512 -11.732 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.859 -9.380 -11.184 1.00 0.00 C ATOM 0 HA PRO A 110 -4.335 -7.105 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.633 -8.055 -10.356 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.639 -6.667 -10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.758 -9.132 -12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.627 -7.822 -12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.126 -10.437 -11.192 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.957 -9.275 -11.786 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.933 -8.084 -7.192 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.766 -8.748 -6.146 1.00 0.00 C ATOM 1668 C PHE A 111 -8.226 -8.377 -6.350 1.00 0.00 C ATOM 1669 O PHE A 111 -8.550 -7.379 -6.962 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.351 -8.265 -4.755 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.986 -6.809 -4.828 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.975 -5.823 -4.737 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.658 -6.446 -5.017 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.617 -4.479 -4.848 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.302 -5.101 -5.115 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.282 -4.118 -5.037 1.00 0.00 C ATOM 0 H PHE A 111 -5.687 -7.113 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.625 -9.826 -6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.166 -8.413 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.504 -8.847 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.007 -6.100 -4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.897 -7.209 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.377 -3.714 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.267 -4.824 -5.251 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.011 -3.076 -5.123 1.00 0.00 H new ATOM 1686 N THR A 112 -9.106 -9.154 -5.801 1.00 0.00 N ATOM 1687 CA THR A 112 -10.549 -8.832 -5.914 1.00 0.00 C ATOM 1688 C THR A 112 -10.916 -8.015 -4.683 1.00 0.00 C ATOM 1689 O THR A 112 -10.357 -8.211 -3.624 1.00 0.00 O ATOM 1690 CB THR A 112 -11.372 -10.123 -5.943 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.554 -11.195 -6.391 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.560 -9.954 -6.892 1.00 0.00 C ATOM 0 H THR A 112 -8.889 -10.002 -5.277 1.00 0.00 H new ATOM 0 HA THR A 112 -10.755 -8.278 -6.830 1.00 0.00 H new ATOM 0 HB THR A 112 -11.740 -10.341 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.079 -12.022 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.144 -10.874 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.188 -9.133 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.196 -9.735 -7.896 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.827 -7.096 -4.793 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.179 -6.292 -3.594 1.00 0.00 C ATOM 1702 C ALA A 113 -12.425 -7.243 -2.432 1.00 0.00 C ATOM 1703 O ALA A 113 -12.095 -6.954 -1.302 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.437 -5.464 -3.866 1.00 0.00 C ATOM 0 H ALA A 113 -12.337 -6.868 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.364 -5.610 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.686 -4.879 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.256 -4.793 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.266 -6.130 -4.106 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.973 -8.393 -2.704 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.201 -9.365 -1.608 1.00 0.00 C ATOM 1712 C ALA A 114 -11.843 -9.787 -1.060 1.00 0.00 C ATOM 1713 O ALA A 114 -11.677 -10.002 0.124 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.953 -10.585 -2.143 1.00 0.00 C ATOM 0 H ALA A 114 -13.270 -8.698 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.800 -8.912 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.117 -11.295 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.914 -10.270 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.364 -11.060 -2.928 1.00 0.00 H new ATOM 1720 N THR A 115 -10.860 -9.890 -1.914 1.00 0.00 N ATOM 1721 CA THR A 115 -9.508 -10.277 -1.435 1.00 0.00 C ATOM 1722 C THR A 115 -8.926 -9.112 -0.627 1.00 0.00 C ATOM 1723 O THR A 115 -8.810 -9.200 0.579 1.00 0.00 O ATOM 1724 CB THR A 115 -8.603 -10.611 -2.624 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.914 -11.914 -3.096 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.136 -10.565 -2.189 1.00 0.00 C ATOM 0 H THR A 115 -10.937 -9.723 -2.917 1.00 0.00 H new ATOM 0 HA THR A 115 -9.575 -11.163 -0.804 1.00 0.00 H new ATOM 0 HB THR A 115 -8.765 -9.882 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.338 -12.132 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.497 -10.803 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.896 -9.567 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.969 -11.292 -1.394 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.563 -8.013 -1.253 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.010 -6.889 -0.446 1.00 0.00 C ATOM 1736 C LEU A 116 -8.962 -6.562 0.713 1.00 0.00 C ATOM 1737 O LEU A 116 -8.532 -6.096 1.749 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.832 -5.653 -1.342 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.345 -5.279 -1.526 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.819 -4.625 -0.268 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.481 -6.505 -1.833 1.00 0.00 C ATOM 0 H LEU A 116 -8.625 -7.853 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.042 -7.180 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.281 -5.845 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.366 -4.809 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.288 -4.592 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.770 -4.364 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.393 -3.722 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.914 -5.317 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.443 -6.197 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.554 -7.217 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.830 -6.975 -2.752 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.244 -6.801 0.573 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.157 -6.491 1.705 1.00 0.00 C ATOM 1755 C GLU A 117 -10.769 -7.350 2.906 1.00 0.00 C ATOM 1756 O GLU A 117 -10.383 -6.851 3.941 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.605 -6.790 1.321 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.468 -6.819 2.584 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.932 -6.585 2.209 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.187 -5.668 1.446 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.771 -7.328 2.689 1.00 0.00 O ATOM 0 H GLU A 117 -10.686 -7.189 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.070 -5.433 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.975 -6.031 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.666 -7.747 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.360 -7.779 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.134 -6.052 3.283 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.871 -8.641 2.770 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.511 -9.547 3.898 1.00 0.00 C ATOM 1770 C GLU A 118 -9.174 -9.109 4.499 1.00 0.00 C ATOM 1771 O GLU A 118 -9.013 -9.047 5.701 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.390 -10.982 3.380 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.736 -11.693 3.529 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.670 -13.058 2.842 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.160 -13.118 1.736 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.131 -14.021 3.434 1.00 0.00 O ATOM 0 H GLU A 118 -11.190 -9.111 1.923 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.286 -9.499 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.083 -10.978 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.620 -11.517 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.979 -11.816 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.529 -11.090 3.087 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.212 -8.807 3.671 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.887 -8.374 4.196 1.00 0.00 C ATOM 1785 C LYS A 119 -7.054 -7.081 4.996 1.00 0.00 C ATOM 1786 O LYS A 119 -6.331 -6.823 5.939 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.932 -8.124 3.025 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.918 -9.266 2.935 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.651 -10.590 2.705 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.877 -11.429 1.687 1.00 0.00 C ATOM 1791 NZ LYS A 119 -5.335 -12.846 1.761 1.00 0.00 N ATOM 0 H LYS A 119 -8.286 -8.841 2.654 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.480 -9.153 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.494 -8.049 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.414 -7.175 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.218 -9.080 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.332 -9.318 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.745 -11.134 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.662 -10.401 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.034 -11.037 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.808 -11.370 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.809 -13.417 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.164 -13.217 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.352 -12.894 1.548 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.996 -6.260 4.622 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.204 -4.978 5.352 1.00 0.00 C ATOM 1807 C LEU A 120 -9.032 -5.235 6.611 1.00 0.00 C ATOM 1808 O LEU A 120 -8.647 -4.874 7.703 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.951 -3.996 4.434 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.818 -2.549 4.940 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.561 -1.613 3.756 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.117 -2.126 5.630 1.00 0.00 C ATOM 0 H LEU A 120 -8.632 -6.422 3.841 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.241 -4.555 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.554 -4.068 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.005 -4.271 4.384 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.988 -2.492 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.467 -0.588 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -7.640 -1.907 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.393 -1.676 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.022 -1.101 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.942 -2.187 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.313 -2.788 6.473 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.168 -5.857 6.465 1.00 0.00 N ATOM 1825 CA ASN A 121 -11.025 -6.140 7.651 1.00 0.00 C ATOM 1826 C ASN A 121 -10.272 -7.046 8.627 1.00 0.00 C ATOM 1827 O ASN A 121 -10.425 -6.944 9.827 1.00 0.00 O ATOM 1828 CB ASN A 121 -12.309 -6.837 7.196 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.505 -6.246 7.944 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -14.244 -5.449 7.400 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.730 -6.606 9.178 1.00 0.00 N ATOM 0 H ASN A 121 -10.541 -6.183 5.573 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.274 -5.203 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.441 -6.712 6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.241 -7.908 7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.526 -6.219 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.110 -7.275 9.635 1.00 0.00 H new ATOM 1838 N LYS A 122 -9.460 -7.934 8.121 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.701 -8.847 9.022 1.00 0.00 C ATOM 1840 C LYS A 122 -7.625 -8.053 9.761 1.00 0.00 C ATOM 1841 O LYS A 122 -7.428 -8.210 10.950 1.00 0.00 O ATOM 1842 CB LYS A 122 -8.043 -9.957 8.198 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.183 -10.833 9.116 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.448 -12.314 8.824 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.030 -12.639 7.388 1.00 0.00 C ATOM 1846 NZ LYS A 122 -8.209 -13.142 6.630 1.00 0.00 N ATOM 0 H LYS A 122 -9.290 -8.067 7.124 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.385 -9.293 9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.806 -10.563 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -7.427 -9.523 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.128 -10.607 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.409 -10.613 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.893 -12.938 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.505 -12.539 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.626 -11.749 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.238 -13.388 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.903 -13.474 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.646 -13.929 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.902 -12.375 6.516 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.926 -7.202 9.067 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.862 -6.397 9.729 1.00 0.00 C ATOM 1862 C ILE A 123 -6.510 -5.351 10.631 1.00 0.00 C ATOM 1863 O ILE A 123 -6.008 -5.026 11.690 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.031 -5.682 8.666 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.993 -6.649 8.090 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.319 -4.484 9.299 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.392 -6.054 6.814 1.00 0.00 C ATOM 0 H ILE A 123 -7.045 -7.028 8.069 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.224 -7.055 10.318 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.685 -5.336 7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.207 -6.834 8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.458 -7.610 7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.725 -3.972 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.059 -3.795 9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.665 -4.831 10.100 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.653 -6.743 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.182 -5.892 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.912 -5.103 7.047 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.614 -4.807 10.208 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.293 -3.765 11.018 1.00 0.00 C ATOM 1881 C PHE A 124 -8.973 -4.405 12.226 1.00 0.00 C ATOM 1882 O PHE A 124 -9.096 -3.795 13.270 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.319 -3.037 10.151 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.619 -1.918 9.416 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.499 -2.200 8.621 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.071 -0.600 9.541 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.838 -1.168 7.954 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.406 0.433 8.873 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.290 0.147 8.080 1.00 0.00 C ATOM 0 H PHE A 124 -8.077 -5.042 9.330 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.557 -3.046 11.377 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.775 -3.729 9.442 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -10.123 -2.639 10.770 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.148 -3.217 8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.933 -0.380 10.153 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.977 -1.386 7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.754 1.451 8.969 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.777 0.945 7.564 1.00 0.00 H new ATOM 1899 N GLU A 125 -9.399 -5.631 12.110 1.00 0.00 N ATOM 1900 CA GLU A 125 -10.046 -6.288 13.276 1.00 0.00 C ATOM 1901 C GLU A 125 -9.121 -6.135 14.480 1.00 0.00 C ATOM 1902 O GLU A 125 -9.558 -6.052 15.612 1.00 0.00 O ATOM 1903 CB GLU A 125 -10.269 -7.772 12.978 1.00 0.00 C ATOM 1904 CG GLU A 125 -11.249 -8.356 13.997 1.00 0.00 C ATOM 1905 CD GLU A 125 -11.554 -9.812 13.637 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.792 -10.386 12.879 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.546 -10.327 14.126 1.00 0.00 O ATOM 0 H GLU A 125 -9.328 -6.201 11.267 1.00 0.00 H new ATOM 0 HA GLU A 125 -11.012 -5.827 13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.661 -7.896 11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.321 -8.309 13.020 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.824 -8.300 14.999 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -12.170 -7.773 14.008 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.841 -6.073 14.237 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.875 -5.900 15.354 1.00 0.00 C ATOM 1916 C LYS A 126 -6.728 -4.406 15.636 1.00 0.00 C ATOM 1917 O LYS A 126 -6.495 -3.991 16.754 1.00 0.00 O ATOM 1918 CB LYS A 126 -5.518 -6.486 14.956 1.00 0.00 C ATOM 1919 CG LYS A 126 -5.442 -7.947 15.401 1.00 0.00 C ATOM 1920 CD LYS A 126 -6.604 -8.731 14.787 1.00 0.00 C ATOM 1921 CE LYS A 126 -6.160 -10.168 14.508 1.00 0.00 C ATOM 1922 NZ LYS A 126 -5.485 -10.723 15.715 1.00 0.00 N ATOM 0 H LYS A 126 -7.423 -6.135 13.309 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.234 -6.416 16.245 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -5.382 -6.416 13.877 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.713 -5.912 15.416 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.492 -8.383 15.092 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.482 -8.009 16.488 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -7.457 -8.728 15.465 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -6.930 -8.254 13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -7.022 -10.782 14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.481 -10.191 13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.576 -11.759 15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.478 -10.463 15.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.930 -10.334 16.571 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.877 -3.591 14.625 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.763 -2.121 14.830 1.00 0.00 C ATOM 1938 C LEU A 127 -8.080 -1.599 15.409 1.00 0.00 C ATOM 1939 O LEU A 127 -8.175 -0.466 15.837 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.473 -1.427 13.490 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.549 -0.227 13.722 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.125 -0.710 14.022 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.531 0.650 12.470 1.00 0.00 C ATOM 0 H LEU A 127 -7.073 -3.882 13.667 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.946 -1.908 15.519 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.007 -2.129 12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.405 -1.098 13.030 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.919 0.348 14.571 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.476 0.150 14.185 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.133 -1.334 14.916 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.752 -1.291 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.874 1.504 12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.166 0.068 11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.540 1.004 12.259 1.00 0.00 H new ATOM 1955 N GLY A 128 -9.096 -2.423 15.430 1.00 0.00 N ATOM 1956 CA GLY A 128 -10.407 -1.978 15.987 1.00 0.00 C ATOM 1957 C GLY A 128 -10.761 -0.603 15.422 1.00 0.00 C ATOM 1958 O GLY A 128 -11.248 0.261 16.122 1.00 0.00 O ATOM 0 H GLY A 128 -9.074 -3.383 15.086 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.185 -2.698 15.734 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.356 -1.934 17.075 1.00 0.00 H new ATOM 1962 N MET A 129 -10.520 -0.395 14.158 1.00 0.00 N ATOM 1963 CA MET A 129 -10.840 0.923 13.544 1.00 0.00 C ATOM 1964 C MET A 129 -12.258 0.887 12.970 1.00 0.00 C ATOM 1965 O MET A 129 -13.018 1.795 13.266 1.00 0.00 O ATOM 1966 CB MET A 129 -9.842 1.212 12.423 1.00 0.00 C ATOM 1967 CG MET A 129 -8.946 2.385 12.822 1.00 0.00 C ATOM 1968 SD MET A 129 -8.100 1.997 14.375 1.00 0.00 S ATOM 1969 CE MET A 129 -7.239 3.578 14.566 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.559 -0.047 12.246 1.00 0.00 O ATOM 0 H MET A 129 -10.114 -1.082 13.523 1.00 0.00 H new ATOM 0 HA MET A 129 -10.776 1.705 14.300 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.235 0.328 12.226 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.374 1.445 11.500 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.216 2.582 12.037 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.543 3.290 12.937 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.644 3.560 15.479 1.00 0.00 H new ATOM 0 HE2 MET A 129 -6.585 3.742 13.710 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.969 4.385 14.625 1.00 0.00 H new