USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 867 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 35 THR OG1 : rot 180:sc= 0.0585 USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0.0354 USER MOD Set 2.1: A 32 ASN : amide:sc= -3.84! C(o=-4.9!,f=-5.3!) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.84 X(o=-4.9,f=-4.9!) USER MOD Set 2.3: A 64 THR OG1 : rot 180:sc= 0.833 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.0217 (180deg=-0.43) USER MOD Single : A 1 MET N :NH3+ 162:sc= -2.87! (180deg=-3.51!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -41:sc= 0.67 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -2.02 K(o=-2,f=-6.6!) USER MOD Single : A 34 LYS NZ :NH3+ -143:sc=-0.00946 (180deg=-1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.103 (180deg=-0.635) USER MOD Single : A 53 GLN : amide:sc= -2.27 K(o=-2.3,f=-3.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 140:sc= -0.0148 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc=-0.00837 K(o=-0.0084,f=-1.5) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 62:sc= 0.259 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -3.25! X(o=-3.2!,f=-2.9) USER MOD Single : A 107 HIS : no HD1:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.145 K(o=-0.15,f=-1.1) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 111 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.405 0.143 -1.565 1.00 0.00 N ATOM 2 CA MET A 1 1.592 0.438 -0.771 1.00 0.00 C ATOM 3 C MET A 1 1.990 1.904 -0.912 1.00 0.00 C ATOM 4 O MET A 1 1.242 2.709 -1.466 1.00 0.00 O ATOM 5 CB MET A 1 2.754 -0.461 -1.199 1.00 0.00 C ATOM 6 CG MET A 1 3.438 -1.163 -0.037 1.00 0.00 C ATOM 7 SD MET A 1 5.235 -1.165 -0.188 1.00 0.00 S ATOM 8 CE MET A 1 5.436 -1.846 -1.833 1.00 0.00 C ATOM 0 H1 MET A 1 0.327 -0.885 -1.705 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.440 0.490 -1.068 1.00 0.00 H new ATOM 0 H3 MET A 1 0.480 0.613 -2.490 1.00 0.00 H new ATOM 0 HA MET A 1 1.357 0.243 0.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.384 -1.210 -1.899 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.490 0.140 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.156 -0.673 0.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.081 -2.191 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.435 -2.271 -1.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.692 -2.626 -1.997 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.303 -1.056 -2.572 1.00 0.00 H new ATOM 18 N SER A 2 3.172 2.243 -0.407 1.00 0.00 N ATOM 19 CA SER A 2 3.667 3.613 -0.473 1.00 0.00 C ATOM 20 C SER A 2 2.801 4.544 0.369 1.00 0.00 C ATOM 21 O SER A 2 1.624 4.754 0.073 1.00 0.00 O ATOM 22 CB SER A 2 3.696 4.097 -1.924 1.00 0.00 C ATOM 23 OG SER A 2 4.242 3.110 -2.781 1.00 0.00 O ATOM 0 H SER A 2 3.805 1.588 0.052 1.00 0.00 H new ATOM 0 HA SER A 2 4.681 3.627 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.685 4.345 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.286 5.011 -1.994 1.00 0.00 H new ATOM 0 HG SER A 2 4.248 3.444 -3.702 1.00 0.00 H new ATOM 29 N VAL A 3 3.392 5.101 1.422 1.00 0.00 N ATOM 30 CA VAL A 3 2.676 6.011 2.308 1.00 0.00 C ATOM 31 C VAL A 3 2.345 7.321 1.600 1.00 0.00 C ATOM 32 O VAL A 3 1.318 7.941 1.870 1.00 0.00 O ATOM 33 CB VAL A 3 3.494 6.319 3.576 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.807 7.392 4.407 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.705 5.053 4.393 1.00 0.00 C ATOM 0 H VAL A 3 4.365 4.938 1.682 1.00 0.00 H new ATOM 0 HA VAL A 3 1.750 5.511 2.594 1.00 0.00 H new ATOM 0 HB VAL A 3 4.471 6.697 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.399 7.596 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.712 8.304 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.816 7.046 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.285 5.288 5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.738 4.644 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.243 4.319 3.794 1.00 0.00 H new ATOM 45 N GLU A 4 3.224 7.735 0.692 1.00 0.00 N ATOM 46 CA GLU A 4 3.025 8.971 -0.055 1.00 0.00 C ATOM 47 C GLU A 4 1.772 8.887 -0.921 1.00 0.00 C ATOM 48 O GLU A 4 1.015 9.852 -1.035 1.00 0.00 O ATOM 49 CB GLU A 4 4.245 9.267 -0.930 1.00 0.00 C ATOM 50 CG GLU A 4 5.569 9.103 -0.203 1.00 0.00 C ATOM 51 CD GLU A 4 6.692 9.888 -0.854 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.486 10.398 -1.975 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.775 9.992 -0.242 1.00 0.00 O ATOM 0 H GLU A 4 4.080 7.233 0.456 1.00 0.00 H new ATOM 0 HA GLU A 4 2.897 9.782 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.231 8.604 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.172 10.287 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.455 9.429 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.837 8.047 -0.177 1.00 0.00 H new ATOM 60 N THR A 5 1.559 7.726 -1.533 1.00 0.00 N ATOM 61 CA THR A 5 0.399 7.515 -2.391 1.00 0.00 C ATOM 62 C THR A 5 -0.895 7.558 -1.586 1.00 0.00 C ATOM 63 O THR A 5 -1.985 7.648 -2.152 1.00 0.00 O ATOM 64 CB THR A 5 0.486 6.167 -3.131 1.00 0.00 C ATOM 65 OG1 THR A 5 0.414 5.088 -2.192 1.00 0.00 O ATOM 66 CG2 THR A 5 1.778 6.069 -3.927 1.00 0.00 C ATOM 0 H THR A 5 2.175 6.917 -1.450 1.00 0.00 H new ATOM 0 HA THR A 5 0.395 8.323 -3.123 1.00 0.00 H new ATOM 0 HB THR A 5 -0.353 6.102 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.941 5.311 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.817 5.109 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.816 6.875 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.629 6.154 -3.251 1.00 0.00 H new ATOM 74 N ILE A 6 -0.767 7.495 -0.265 1.00 0.00 N ATOM 75 CA ILE A 6 -1.928 7.529 0.616 1.00 0.00 C ATOM 76 C ILE A 6 -2.359 8.963 0.903 1.00 0.00 C ATOM 77 O ILE A 6 -3.514 9.330 0.688 1.00 0.00 O ATOM 78 CB ILE A 6 -1.643 6.814 1.950 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.701 5.629 1.727 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.943 6.351 2.591 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.207 4.639 0.701 1.00 0.00 C ATOM 0 H ILE A 6 0.128 7.420 0.218 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.733 7.007 0.098 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.158 7.518 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.272 6.004 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.550 5.112 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.725 5.848 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.583 7.213 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.454 5.660 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.489 3.826 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.166 4.236 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.331 5.141 -0.259 1.00 0.00 H new ATOM 93 N ILE A 7 -1.421 9.771 1.388 1.00 0.00 N ATOM 94 CA ILE A 7 -1.703 11.166 1.702 1.00 0.00 C ATOM 95 C ILE A 7 -1.953 11.975 0.434 1.00 0.00 C ATOM 96 O ILE A 7 -2.725 12.933 0.439 1.00 0.00 O ATOM 97 CB ILE A 7 -0.547 11.810 2.490 1.00 0.00 C ATOM 98 CG1 ILE A 7 -0.428 11.173 3.875 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.760 13.312 2.608 1.00 0.00 C ATOM 100 CD1 ILE A 7 -1.555 11.547 4.812 1.00 0.00 C ATOM 0 H ILE A 7 -0.460 9.483 1.572 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.602 11.176 2.319 1.00 0.00 H new ATOM 0 HB ILE A 7 0.384 11.636 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.402 10.089 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.520 11.471 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.065 13.754 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.800 13.753 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.697 13.507 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.405 11.059 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.569 12.628 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.505 11.224 4.386 1.00 0.00 H new ATOM 112 N GLU A 8 -1.295 11.581 -0.652 1.00 0.00 N ATOM 113 CA GLU A 8 -1.446 12.270 -1.928 1.00 0.00 C ATOM 114 C GLU A 8 -2.920 12.502 -2.250 1.00 0.00 C ATOM 115 O GLU A 8 -3.311 13.592 -2.667 1.00 0.00 O ATOM 116 CB GLU A 8 -0.789 11.462 -3.050 1.00 0.00 C ATOM 117 CG GLU A 8 0.403 12.160 -3.684 1.00 0.00 C ATOM 118 CD GLU A 8 1.306 11.202 -4.437 1.00 0.00 C ATOM 119 OE1 GLU A 8 1.663 11.510 -5.594 1.00 0.00 O ATOM 120 OE2 GLU A 8 1.655 10.146 -3.871 1.00 0.00 O ATOM 0 H GLU A 8 -0.653 10.789 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.952 13.238 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.467 10.499 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.531 11.256 -3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.047 12.931 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.980 12.663 -2.908 1.00 0.00 H new ATOM 127 N ARG A 9 -3.732 11.468 -2.053 1.00 0.00 N ATOM 128 CA ARG A 9 -5.162 11.558 -2.323 1.00 0.00 C ATOM 129 C ARG A 9 -5.824 12.588 -1.413 1.00 0.00 C ATOM 130 O ARG A 9 -6.758 13.280 -1.818 1.00 0.00 O ATOM 131 CB ARG A 9 -5.825 10.193 -2.133 1.00 0.00 C ATOM 132 CG ARG A 9 -5.772 9.312 -3.371 1.00 0.00 C ATOM 133 CD ARG A 9 -6.262 7.903 -3.074 1.00 0.00 C ATOM 134 NE ARG A 9 -6.839 7.264 -4.253 1.00 0.00 N ATOM 135 CZ ARG A 9 -8.002 7.620 -4.787 1.00 0.00 C ATOM 136 NH1 ARG A 9 -8.708 8.605 -4.249 1.00 0.00 N ATOM 137 NH2 ARG A 9 -8.461 6.991 -5.861 1.00 0.00 N ATOM 0 H ARG A 9 -3.424 10.559 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.291 11.877 -3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.338 9.674 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.866 10.341 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.383 9.752 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.749 9.271 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.432 7.301 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.008 7.938 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.321 6.502 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.358 9.091 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.601 8.877 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.921 6.233 -6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.354 7.265 -6.270 1.00 0.00 H new ATOM 151 N ILE A 10 -5.333 12.684 -0.182 1.00 0.00 N ATOM 152 CA ILE A 10 -5.877 13.630 0.785 1.00 0.00 C ATOM 153 C ILE A 10 -5.601 15.069 0.362 1.00 0.00 C ATOM 154 O ILE A 10 -6.507 15.902 0.327 1.00 0.00 O ATOM 155 CB ILE A 10 -5.289 13.399 2.190 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.867 12.122 2.804 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.569 14.597 3.085 1.00 0.00 C ATOM 158 CD1 ILE A 10 -5.015 11.545 3.913 1.00 0.00 C ATOM 0 H ILE A 10 -4.560 12.119 0.169 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.954 13.463 0.818 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.209 13.281 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.862 12.335 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.985 11.373 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.147 14.419 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.115 15.488 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.646 14.743 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.486 10.642 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.027 11.300 3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.918 12.277 4.715 1.00 0.00 H new ATOM 170 N LYS A 11 -4.344 15.354 0.038 1.00 0.00 N ATOM 171 CA LYS A 11 -3.947 16.691 -0.387 1.00 0.00 C ATOM 172 C LYS A 11 -4.643 17.077 -1.688 1.00 0.00 C ATOM 173 O LYS A 11 -5.116 18.203 -1.840 1.00 0.00 O ATOM 174 CB LYS A 11 -2.429 16.762 -0.567 1.00 0.00 C ATOM 175 CG LYS A 11 -1.655 16.000 0.494 1.00 0.00 C ATOM 176 CD LYS A 11 -0.176 16.347 0.462 1.00 0.00 C ATOM 177 CE LYS A 11 0.666 15.159 0.022 1.00 0.00 C ATOM 178 NZ LYS A 11 1.424 15.448 -1.227 1.00 0.00 N ATOM 0 H LYS A 11 -3.582 14.676 0.062 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.248 17.396 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.169 16.366 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.118 17.807 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.062 16.230 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.782 14.929 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.012 17.183 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.144 16.674 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.363 14.894 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.020 14.295 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.985 14.614 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.758 15.676 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.059 16.256 -1.069 1.00 0.00 H new ATOM 192 N ALA A 12 -4.703 16.135 -2.624 1.00 0.00 N ATOM 193 CA ALA A 12 -5.345 16.376 -3.910 1.00 0.00 C ATOM 194 C ALA A 12 -6.824 16.701 -3.734 1.00 0.00 C ATOM 195 O ALA A 12 -7.389 17.494 -4.486 1.00 0.00 O ATOM 196 CB ALA A 12 -5.172 15.169 -4.820 1.00 0.00 C ATOM 0 H ALA A 12 -4.315 15.198 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.864 17.238 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.656 15.363 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.110 14.984 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.626 14.294 -4.354 1.00 0.00 H new ATOM 202 N ARG A 13 -7.446 16.081 -2.736 1.00 0.00 N ATOM 203 CA ARG A 13 -8.861 16.303 -2.463 1.00 0.00 C ATOM 204 C ARG A 13 -9.072 17.622 -1.725 1.00 0.00 C ATOM 205 O ARG A 13 -9.817 18.488 -2.182 1.00 0.00 O ATOM 206 CB ARG A 13 -9.430 15.147 -1.637 1.00 0.00 C ATOM 207 CG ARG A 13 -10.884 15.342 -1.239 1.00 0.00 C ATOM 208 CD ARG A 13 -11.781 15.485 -2.458 1.00 0.00 C ATOM 209 NE ARG A 13 -12.949 14.611 -2.385 1.00 0.00 N ATOM 210 CZ ARG A 13 -13.828 14.475 -3.371 1.00 0.00 C ATOM 211 NH1 ARG A 13 -13.673 15.152 -4.501 1.00 0.00 N ATOM 212 NH2 ARG A 13 -14.865 13.660 -3.229 1.00 0.00 N ATOM 0 H ARG A 13 -6.993 15.422 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.386 16.352 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.339 14.224 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.829 15.025 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.215 14.494 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.975 16.230 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.109 16.521 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.210 15.253 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.098 14.076 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.877 15.779 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.350 15.045 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.988 13.137 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.540 13.556 -3.987 1.00 0.00 H new ATOM 226 N VAL A 14 -8.411 17.766 -0.581 1.00 0.00 N ATOM 227 CA VAL A 14 -8.526 18.979 0.220 1.00 0.00 C ATOM 228 C VAL A 14 -8.237 20.220 -0.618 1.00 0.00 C ATOM 229 O VAL A 14 -8.965 21.210 -0.552 1.00 0.00 O ATOM 230 CB VAL A 14 -7.564 18.950 1.423 1.00 0.00 C ATOM 231 CG1 VAL A 14 -8.081 18.006 2.497 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.166 18.550 0.977 1.00 0.00 C ATOM 0 H VAL A 14 -7.791 17.058 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.552 19.021 0.585 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.512 19.952 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.389 17.998 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.061 18.342 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.165 16.999 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.499 18.535 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.198 17.559 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.797 19.270 0.246 1.00 0.00 H new ATOM 242 N GLY A 15 -7.168 20.160 -1.406 1.00 0.00 N ATOM 243 CA GLY A 15 -6.802 21.285 -2.247 1.00 0.00 C ATOM 244 C GLY A 15 -7.731 21.449 -3.433 1.00 0.00 C ATOM 245 O GLY A 15 -7.699 22.471 -4.118 1.00 0.00 O ATOM 0 H GLY A 15 -6.549 19.353 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.813 22.198 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.781 21.150 -2.605 1.00 0.00 H new ATOM 249 N ALA A 16 -8.560 20.439 -3.678 1.00 0.00 N ATOM 250 CA ALA A 16 -9.501 20.477 -4.790 1.00 0.00 C ATOM 251 C ALA A 16 -10.882 20.928 -4.325 1.00 0.00 C ATOM 252 O ALA A 16 -11.621 21.569 -5.073 1.00 0.00 O ATOM 253 CB ALA A 16 -9.587 19.111 -5.455 1.00 0.00 C ATOM 0 H ALA A 16 -8.599 19.585 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.136 21.202 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.293 19.154 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.604 18.826 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.925 18.373 -4.728 1.00 0.00 H new ATOM 259 N VAL A 17 -11.224 20.589 -3.086 1.00 0.00 N ATOM 260 CA VAL A 17 -12.516 20.960 -2.522 1.00 0.00 C ATOM 261 C VAL A 17 -12.803 22.442 -2.732 1.00 0.00 C ATOM 262 O VAL A 17 -11.885 23.260 -2.798 1.00 0.00 O ATOM 263 CB VAL A 17 -12.582 20.645 -1.015 1.00 0.00 C ATOM 264 CG1 VAL A 17 -13.974 20.926 -0.471 1.00 0.00 C ATOM 265 CG2 VAL A 17 -12.181 19.200 -0.756 1.00 0.00 C ATOM 0 H VAL A 17 -10.624 20.058 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.269 20.369 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.877 21.293 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.001 20.698 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.219 21.977 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.701 20.305 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.233 18.994 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.860 18.533 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.162 19.036 -1.108 1.00 0.00 H new ATOM 275 N ASP A 18 -14.083 22.783 -2.837 1.00 0.00 N ATOM 276 CA ASP A 18 -14.492 24.168 -3.039 1.00 0.00 C ATOM 277 C ASP A 18 -14.391 24.959 -1.739 1.00 0.00 C ATOM 278 O ASP A 18 -14.675 24.453 -0.653 1.00 0.00 O ATOM 279 CB ASP A 18 -15.922 24.226 -3.577 1.00 0.00 C ATOM 280 CG ASP A 18 -15.973 24.577 -5.051 1.00 0.00 C ATOM 281 OD1 ASP A 18 -16.873 24.069 -5.752 1.00 0.00 O ATOM 282 OD2 ASP A 18 -15.111 25.359 -5.504 1.00 0.00 O ATOM 0 H ASP A 18 -14.855 22.119 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.819 24.617 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.406 23.262 -3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -16.490 24.964 -3.011 1.00 0.00 H new ATOM 287 N PRO A 19 -13.977 26.230 -1.849 1.00 0.00 N ATOM 288 CA PRO A 19 -13.829 27.118 -0.692 1.00 0.00 C ATOM 289 C PRO A 19 -15.172 27.506 -0.084 1.00 0.00 C ATOM 290 O PRO A 19 -15.300 27.628 1.134 1.00 0.00 O ATOM 291 CB PRO A 19 -13.132 28.349 -1.277 1.00 0.00 C ATOM 292 CG PRO A 19 -13.502 28.345 -2.720 1.00 0.00 C ATOM 293 CD PRO A 19 -13.622 26.898 -3.113 1.00 0.00 C ATOM 0 HA PRO A 19 -13.276 26.643 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.465 29.263 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.051 28.292 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.442 28.873 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.744 28.850 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.388 26.750 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.688 26.514 -3.522 1.00 0.00 H new ATOM 301 N ASN A 20 -16.171 27.697 -0.939 1.00 0.00 N ATOM 302 CA ASN A 20 -17.506 28.071 -0.485 1.00 0.00 C ATOM 303 C ASN A 20 -18.258 26.857 0.052 1.00 0.00 C ATOM 304 O ASN A 20 -19.274 26.994 0.732 1.00 0.00 O ATOM 305 CB ASN A 20 -18.296 28.711 -1.628 1.00 0.00 C ATOM 306 CG ASN A 20 -18.267 30.226 -1.574 1.00 0.00 C ATOM 307 OD1 ASN A 20 -19.263 30.865 -1.233 1.00 0.00 O ATOM 308 ND2 ASN A 20 -17.122 30.809 -1.911 1.00 0.00 N ATOM 0 H ASN A 20 -16.082 27.599 -1.950 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.398 28.795 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -17.886 28.376 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.330 28.369 -1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.043 31.826 -1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.322 30.240 -2.187 1.00 0.00 H new ATOM 315 N GLY A 21 -17.750 25.668 -0.259 1.00 0.00 N ATOM 316 CA GLY A 21 -18.386 24.447 0.199 1.00 0.00 C ATOM 317 C GLY A 21 -17.460 23.592 1.041 1.00 0.00 C ATOM 318 O GLY A 21 -17.142 22.455 0.692 1.00 0.00 O ATOM 0 H GLY A 21 -16.909 25.529 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -19.272 24.699 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.724 23.871 -0.663 1.00 0.00 H new ATOM 322 N PRO A 22 -17.010 24.143 2.178 1.00 0.00 N ATOM 323 CA PRO A 22 -16.107 23.440 3.095 1.00 0.00 C ATOM 324 C PRO A 22 -16.794 22.283 3.812 1.00 0.00 C ATOM 325 O PRO A 22 -17.913 21.902 3.466 1.00 0.00 O ATOM 326 CB PRO A 22 -15.703 24.525 4.096 1.00 0.00 C ATOM 327 CG PRO A 22 -16.826 25.504 4.067 1.00 0.00 C ATOM 328 CD PRO A 22 -17.349 25.494 2.657 1.00 0.00 C ATOM 0 HA PRO A 22 -15.264 22.989 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -15.565 24.111 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.761 24.994 3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.606 25.224 4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.483 26.500 4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -18.424 25.674 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -16.879 26.266 2.048 1.00 0.00 H new ATOM 336 N ARG A 23 -16.118 21.728 4.813 1.00 0.00 N ATOM 337 CA ARG A 23 -16.664 20.614 5.578 1.00 0.00 C ATOM 338 C ARG A 23 -16.745 20.961 7.062 1.00 0.00 C ATOM 339 O ARG A 23 -16.048 21.857 7.540 1.00 0.00 O ATOM 340 CB ARG A 23 -15.805 19.363 5.381 1.00 0.00 C ATOM 341 CG ARG A 23 -16.132 18.593 4.112 1.00 0.00 C ATOM 342 CD ARG A 23 -17.386 17.749 4.280 1.00 0.00 C ATOM 343 NE ARG A 23 -17.565 16.810 3.176 1.00 0.00 N ATOM 344 CZ ARG A 23 -18.403 15.780 3.216 1.00 0.00 C ATOM 345 NH1 ARG A 23 -19.135 15.558 4.299 1.00 0.00 N ATOM 346 NH2 ARG A 23 -18.511 14.970 2.170 1.00 0.00 N ATOM 0 H ARG A 23 -15.192 22.032 5.113 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.672 20.415 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.755 19.654 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.936 18.704 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.270 19.291 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.292 17.950 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.329 17.198 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.256 18.402 4.346 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.017 16.953 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.056 16.179 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.778 14.766 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.950 15.138 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.155 14.179 2.202 1.00 0.00 H new ATOM 360 N LYS A 24 -17.599 20.246 7.786 1.00 0.00 N ATOM 361 CA LYS A 24 -17.771 20.476 9.215 1.00 0.00 C ATOM 362 C LYS A 24 -16.521 20.064 9.987 1.00 0.00 C ATOM 363 O LYS A 24 -16.447 18.957 10.522 1.00 0.00 O ATOM 364 CB LYS A 24 -18.983 19.701 9.735 1.00 0.00 C ATOM 365 CG LYS A 24 -19.387 20.081 11.149 1.00 0.00 C ATOM 366 CD LYS A 24 -19.340 18.884 12.084 1.00 0.00 C ATOM 367 CE LYS A 24 -20.687 18.181 12.157 1.00 0.00 C ATOM 368 NZ LYS A 24 -21.420 18.515 13.410 1.00 0.00 N ATOM 0 H LYS A 24 -18.183 19.501 7.406 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.936 21.542 9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.827 19.872 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -18.762 18.634 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.722 20.861 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.394 20.498 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.580 18.182 11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.044 19.211 13.081 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.292 18.465 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.537 17.103 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.333 18.016 13.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.854 18.221 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -21.585 19.541 13.452 1.00 0.00 H new ATOM 382 N VAL A 25 -15.542 20.961 10.042 1.00 0.00 N ATOM 383 CA VAL A 25 -14.297 20.691 10.751 1.00 0.00 C ATOM 384 C VAL A 25 -13.626 21.985 11.197 1.00 0.00 C ATOM 385 O VAL A 25 -13.954 23.068 10.708 1.00 0.00 O ATOM 386 CB VAL A 25 -13.314 19.892 9.874 1.00 0.00 C ATOM 387 CG1 VAL A 25 -13.949 18.590 9.410 1.00 0.00 C ATOM 388 CG2 VAL A 25 -12.860 20.727 8.686 1.00 0.00 C ATOM 0 H VAL A 25 -15.587 21.881 9.604 1.00 0.00 H new ATOM 0 HA VAL A 25 -14.555 20.098 11.629 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.437 19.647 10.473 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.240 18.039 8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.219 17.987 10.277 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.844 18.809 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.166 20.147 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.726 21.005 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.363 21.628 9.044 1.00 0.00 H new ATOM 398 N LEU A 26 -12.686 21.868 12.127 1.00 0.00 N ATOM 399 CA LEU A 26 -11.967 23.030 12.640 1.00 0.00 C ATOM 400 C LEU A 26 -10.868 22.606 13.609 1.00 0.00 C ATOM 401 O LEU A 26 -11.146 22.104 14.697 1.00 0.00 O ATOM 402 CB LEU A 26 -12.936 23.987 13.336 1.00 0.00 C ATOM 403 CG LEU A 26 -13.700 23.416 14.532 1.00 0.00 C ATOM 404 CD1 LEU A 26 -13.404 24.222 15.788 1.00 0.00 C ATOM 405 CD2 LEU A 26 -15.195 23.395 14.250 1.00 0.00 C ATOM 0 H LEU A 26 -12.403 20.980 12.542 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.504 23.542 11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.375 24.860 13.671 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.661 24.337 12.601 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.367 22.391 14.695 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.956 23.802 16.629 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.336 24.185 16.001 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.708 25.258 15.636 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.722 22.986 15.112 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.544 24.410 14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.392 22.774 13.376 1.00 0.00 H new ATOM 417 N GLY A 27 -9.618 22.814 13.206 1.00 0.00 N ATOM 418 CA GLY A 27 -8.496 22.450 14.051 1.00 0.00 C ATOM 419 C GLY A 27 -7.397 21.744 13.282 1.00 0.00 C ATOM 420 O GLY A 27 -7.187 22.010 12.099 1.00 0.00 O ATOM 0 H GLY A 27 -9.363 23.228 12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.090 23.348 14.517 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.846 21.803 14.856 1.00 0.00 H new ATOM 424 N VAL A 28 -6.691 20.841 13.957 1.00 0.00 N ATOM 425 CA VAL A 28 -5.607 20.095 13.330 1.00 0.00 C ATOM 426 C VAL A 28 -5.558 18.660 13.844 1.00 0.00 C ATOM 427 O VAL A 28 -5.913 18.388 14.991 1.00 0.00 O ATOM 428 CB VAL A 28 -4.244 20.766 13.584 1.00 0.00 C ATOM 429 CG1 VAL A 28 -3.180 20.177 12.670 1.00 0.00 C ATOM 430 CG2 VAL A 28 -4.348 22.271 13.394 1.00 0.00 C ATOM 0 H VAL A 28 -6.851 20.609 14.937 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.806 20.088 12.258 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.950 20.573 14.616 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.224 20.663 12.864 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.088 19.108 12.860 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.464 20.337 11.630 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.376 22.729 13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.665 22.488 12.374 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.078 22.677 14.094 1.00 0.00 H new ATOM 440 N PHE A 29 -5.116 17.745 12.987 1.00 0.00 N ATOM 441 CA PHE A 29 -5.021 16.337 13.354 1.00 0.00 C ATOM 442 C PHE A 29 -3.620 15.798 13.084 1.00 0.00 C ATOM 443 O PHE A 29 -2.881 16.345 12.266 1.00 0.00 O ATOM 444 CB PHE A 29 -6.054 15.516 12.579 1.00 0.00 C ATOM 445 CG PHE A 29 -7.308 15.239 13.359 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.986 16.268 13.993 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.807 13.951 13.458 1.00 0.00 C ATOM 448 CE1 PHE A 29 -9.140 16.017 14.711 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.961 13.694 14.175 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.627 14.728 14.803 1.00 0.00 C ATOM 0 H PHE A 29 -4.818 17.954 12.034 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.225 16.251 14.421 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.315 16.047 11.663 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.604 14.569 12.281 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.608 17.278 13.925 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.289 13.139 12.970 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.660 16.828 15.199 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.341 12.685 14.244 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.527 14.529 15.365 1.00 0.00 H new ATOM 460 N GLN A 30 -3.262 14.723 13.779 1.00 0.00 N ATOM 461 CA GLN A 30 -1.949 14.110 13.615 1.00 0.00 C ATOM 462 C GLN A 30 -2.078 12.630 13.274 1.00 0.00 C ATOM 463 O GLN A 30 -2.394 11.808 14.135 1.00 0.00 O ATOM 464 CB GLN A 30 -1.120 14.282 14.889 1.00 0.00 C ATOM 465 CG GLN A 30 0.342 13.904 14.719 1.00 0.00 C ATOM 466 CD GLN A 30 0.952 14.483 13.458 1.00 0.00 C ATOM 467 OE1 GLN A 30 0.607 15.588 13.038 1.00 0.00 O ATOM 468 NE2 GLN A 30 1.865 13.737 12.845 1.00 0.00 N ATOM 0 H GLN A 30 -3.862 14.259 14.461 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.442 14.611 12.790 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.183 15.320 15.216 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.555 13.672 15.681 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.906 14.252 15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.432 12.818 14.696 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.121 12.827 13.228 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.310 14.074 11.991 1.00 0.00 H new ATOM 477 N LEU A 31 -1.830 12.295 12.012 1.00 0.00 N ATOM 478 CA LEU A 31 -1.919 10.912 11.556 1.00 0.00 C ATOM 479 C LEU A 31 -0.556 10.231 11.615 1.00 0.00 C ATOM 480 O LEU A 31 0.478 10.872 11.432 1.00 0.00 O ATOM 481 CB LEU A 31 -2.467 10.859 10.129 1.00 0.00 C ATOM 482 CG LEU A 31 -3.940 11.233 9.961 1.00 0.00 C ATOM 483 CD1 LEU A 31 -4.187 11.826 8.583 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.829 10.019 10.189 1.00 0.00 C ATOM 0 H LEU A 31 -1.566 12.962 11.287 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.600 10.379 12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.870 11.526 9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.323 9.850 9.743 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.190 11.986 10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.241 12.086 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.579 12.722 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.919 11.096 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.874 10.305 10.065 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.577 9.243 9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.674 9.639 11.199 1.00 0.00 H new ATOM 496 N ASN A 32 -0.562 8.926 11.869 1.00 0.00 N ATOM 497 CA ASN A 32 0.674 8.157 11.950 1.00 0.00 C ATOM 498 C ASN A 32 0.510 6.792 11.289 1.00 0.00 C ATOM 499 O ASN A 32 -0.405 6.037 11.619 1.00 0.00 O ATOM 500 CB ASN A 32 1.096 7.981 13.410 1.00 0.00 C ATOM 501 CG ASN A 32 0.744 9.186 14.262 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.059 10.323 13.909 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.088 8.941 15.391 1.00 0.00 N ATOM 0 H ASN A 32 -1.409 8.379 12.022 1.00 0.00 H new ATOM 0 HA ASN A 32 1.450 8.708 11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.612 7.095 13.821 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.171 7.808 13.456 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.175 9.711 16.005 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.152 7.982 15.643 1.00 0.00 H new ATOM 510 N ILE A 33 1.402 6.482 10.354 1.00 0.00 N ATOM 511 CA ILE A 33 1.357 5.208 9.648 1.00 0.00 C ATOM 512 C ILE A 33 2.285 4.186 10.297 1.00 0.00 C ATOM 513 O ILE A 33 3.498 4.211 10.087 1.00 0.00 O ATOM 514 CB ILE A 33 1.747 5.371 8.167 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.273 6.726 7.638 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.162 4.238 7.337 1.00 0.00 C ATOM 517 CD1 ILE A 33 -0.223 6.923 7.737 1.00 0.00 C ATOM 0 H ILE A 33 2.165 7.096 10.068 1.00 0.00 H new ATOM 0 HA ILE A 33 0.329 4.851 9.708 1.00 0.00 H new ATOM 0 HB ILE A 33 2.833 5.331 8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.773 7.519 8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.576 6.827 6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.446 4.367 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.544 3.285 7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.075 4.249 7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.488 7.905 7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.731 6.152 7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.531 6.855 8.780 1.00 0.00 H new ATOM 529 N LYS A 34 1.706 3.287 11.086 1.00 0.00 N ATOM 530 CA LYS A 34 2.480 2.254 11.764 1.00 0.00 C ATOM 531 C LYS A 34 2.957 1.195 10.776 1.00 0.00 C ATOM 532 O LYS A 34 2.200 0.301 10.395 1.00 0.00 O ATOM 533 CB LYS A 34 1.640 1.600 12.864 1.00 0.00 C ATOM 534 CG LYS A 34 2.155 1.875 14.267 1.00 0.00 C ATOM 535 CD LYS A 34 1.150 1.446 15.323 1.00 0.00 C ATOM 536 CE LYS A 34 1.222 -0.050 15.587 1.00 0.00 C ATOM 537 NZ LYS A 34 0.351 -0.819 14.656 1.00 0.00 N ATOM 0 H LYS A 34 0.704 3.253 11.272 1.00 0.00 H new ATOM 0 HA LYS A 34 3.354 2.725 12.214 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.613 1.957 12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.616 0.523 12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.095 1.345 14.421 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.367 2.939 14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.339 1.989 16.249 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.144 1.711 14.998 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.253 -0.388 15.483 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.923 -0.252 16.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.077 -1.620 15.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.400 -0.199 14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.921 -1.176 13.862 1.00 0.00 H new ATOM 551 N THR A 35 4.217 1.299 10.366 1.00 0.00 N ATOM 552 CA THR A 35 4.795 0.350 9.423 1.00 0.00 C ATOM 553 C THR A 35 5.830 -0.539 10.102 1.00 0.00 C ATOM 554 O THR A 35 6.085 -0.407 11.299 1.00 0.00 O ATOM 555 CB THR A 35 5.456 1.072 8.234 1.00 0.00 C ATOM 556 OG1 THR A 35 6.709 1.635 8.638 1.00 0.00 O ATOM 557 CG2 THR A 35 4.551 2.170 7.695 1.00 0.00 C ATOM 0 H THR A 35 4.857 2.032 10.673 1.00 0.00 H new ATOM 0 HA THR A 35 3.976 -0.268 9.054 1.00 0.00 H new ATOM 0 HB THR A 35 5.624 0.342 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.124 2.091 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.040 2.665 6.856 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.610 1.734 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.354 2.898 8.482 1.00 0.00 H new ATOM 565 N ALA A 36 6.423 -1.445 9.331 1.00 0.00 N ATOM 566 CA ALA A 36 7.433 -2.354 9.859 1.00 0.00 C ATOM 567 C ALA A 36 8.773 -1.647 10.029 1.00 0.00 C ATOM 568 O ALA A 36 9.601 -2.054 10.844 1.00 0.00 O ATOM 569 CB ALA A 36 7.583 -3.562 8.946 1.00 0.00 C ATOM 0 H ALA A 36 6.221 -1.569 8.339 1.00 0.00 H new ATOM 0 HA ALA A 36 7.104 -2.693 10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.340 -4.233 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.631 -4.088 8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.886 -3.232 7.952 1.00 0.00 H new ATOM 575 N SER A 37 8.980 -0.586 9.255 1.00 0.00 N ATOM 576 CA SER A 37 10.222 0.175 9.317 1.00 0.00 C ATOM 577 C SER A 37 10.154 1.238 10.410 1.00 0.00 C ATOM 578 O SER A 37 11.180 1.711 10.896 1.00 0.00 O ATOM 579 CB SER A 37 10.510 0.833 7.967 1.00 0.00 C ATOM 580 OG SER A 37 9.645 0.333 6.961 1.00 0.00 O ATOM 0 H SER A 37 8.303 -0.234 8.578 1.00 0.00 H new ATOM 0 HA SER A 37 11.031 -0.516 9.556 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.388 1.913 8.052 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.547 0.650 7.684 1.00 0.00 H new ATOM 0 HG SER A 37 9.848 0.771 6.108 1.00 0.00 H new ATOM 586 N GLY A 38 8.935 1.608 10.791 1.00 0.00 N ATOM 587 CA GLY A 38 8.754 2.612 11.823 1.00 0.00 C ATOM 588 C GLY A 38 7.350 3.185 11.834 1.00 0.00 C ATOM 589 O GLY A 38 6.369 2.444 11.768 1.00 0.00 O ATOM 0 H GLY A 38 8.070 1.231 10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.971 2.172 12.796 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.471 3.419 11.671 1.00 0.00 H new ATOM 593 N VAL A 39 7.253 4.508 11.920 1.00 0.00 N ATOM 594 CA VAL A 39 5.959 5.180 11.941 1.00 0.00 C ATOM 595 C VAL A 39 6.020 6.512 11.203 1.00 0.00 C ATOM 596 O VAL A 39 6.714 7.436 11.626 1.00 0.00 O ATOM 597 CB VAL A 39 5.478 5.426 13.383 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.371 6.468 13.406 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.010 4.125 14.018 1.00 0.00 C ATOM 0 H VAL A 39 8.055 5.136 11.976 1.00 0.00 H new ATOM 0 HA VAL A 39 5.252 4.521 11.437 1.00 0.00 H new ATOM 0 HB VAL A 39 6.316 5.808 13.967 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.044 6.629 14.433 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.745 7.405 12.993 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.530 6.118 12.808 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.674 4.318 15.037 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.186 3.712 13.436 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.834 3.412 14.037 1.00 0.00 H new ATOM 609 N GLU A 40 5.288 6.604 10.097 1.00 0.00 N ATOM 610 CA GLU A 40 5.259 7.824 9.299 1.00 0.00 C ATOM 611 C GLU A 40 4.234 8.811 9.852 1.00 0.00 C ATOM 612 O GLU A 40 3.028 8.580 9.769 1.00 0.00 O ATOM 613 CB GLU A 40 4.934 7.498 7.840 1.00 0.00 C ATOM 614 CG GLU A 40 6.162 7.204 6.994 1.00 0.00 C ATOM 615 CD GLU A 40 5.939 7.492 5.522 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.297 6.633 4.690 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.406 8.575 5.203 1.00 0.00 O ATOM 0 H GLU A 40 4.707 5.848 9.733 1.00 0.00 H new ATOM 0 HA GLU A 40 6.246 8.285 9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.267 6.637 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.393 8.336 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.999 7.802 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.442 6.158 7.117 1.00 0.00 H new ATOM 624 N GLN A 41 4.725 9.910 10.416 1.00 0.00 N ATOM 625 CA GLN A 41 3.852 10.931 10.983 1.00 0.00 C ATOM 626 C GLN A 41 3.440 11.946 9.922 1.00 0.00 C ATOM 627 O GLN A 41 4.239 12.319 9.063 1.00 0.00 O ATOM 628 CB GLN A 41 4.552 11.644 12.142 1.00 0.00 C ATOM 629 CG GLN A 41 5.175 10.694 13.152 1.00 0.00 C ATOM 630 CD GLN A 41 4.594 10.859 14.543 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.019 11.726 15.307 1.00 0.00 O ATOM 632 NE2 GLN A 41 3.618 10.025 14.880 1.00 0.00 N ATOM 0 H GLN A 41 5.721 10.116 10.492 1.00 0.00 H new ATOM 0 HA GLN A 41 2.954 10.438 11.357 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.329 12.296 11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.832 12.283 12.653 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.026 9.667 12.819 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.251 10.864 13.189 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.296 9.321 14.215 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.190 10.088 15.803 1.00 0.00 H new ATOM 641 N TRP A 42 2.189 12.387 9.987 1.00 0.00 N ATOM 642 CA TRP A 42 1.670 13.359 9.031 1.00 0.00 C ATOM 643 C TRP A 42 0.817 14.410 9.731 1.00 0.00 C ATOM 644 O TRP A 42 0.141 14.117 10.718 1.00 0.00 O ATOM 645 CB TRP A 42 0.849 12.654 7.951 1.00 0.00 C ATOM 646 CG TRP A 42 1.689 12.030 6.878 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.075 10.723 6.795 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.247 12.688 5.735 1.00 0.00 C ATOM 649 NE1 TRP A 42 2.841 10.529 5.671 1.00 0.00 N ATOM 650 CE2 TRP A 42 2.960 11.719 5.003 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.213 14.001 5.259 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.632 12.024 3.822 1.00 0.00 C ATOM 653 CZ3 TRP A 42 2.881 14.302 4.087 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.582 13.317 3.379 1.00 0.00 C ATOM 0 H TRP A 42 1.515 12.087 10.691 1.00 0.00 H new ATOM 0 HA TRP A 42 2.518 13.860 8.564 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.236 11.883 8.417 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.167 13.372 7.497 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.816 9.954 7.508 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.254 9.643 5.381 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.674 14.767 5.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.174 11.266 3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.862 15.314 3.710 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.093 13.584 2.466 1.00 0.00 H new ATOM 665 N ILE A 43 0.851 15.634 9.216 1.00 0.00 N ATOM 666 CA ILE A 43 0.079 16.727 9.792 1.00 0.00 C ATOM 667 C ILE A 43 -1.027 17.178 8.844 1.00 0.00 C ATOM 668 O ILE A 43 -0.803 17.345 7.645 1.00 0.00 O ATOM 669 CB ILE A 43 0.975 17.934 10.128 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.090 17.517 11.089 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.145 19.060 10.727 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.433 18.131 10.760 1.00 0.00 C ATOM 0 H ILE A 43 1.405 15.894 8.400 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.366 16.348 10.712 1.00 0.00 H new ATOM 0 HB ILE A 43 1.432 18.296 9.207 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.809 17.800 12.103 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.183 16.431 11.075 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.793 19.906 10.959 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.616 19.371 10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.337 18.711 11.640 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.175 17.791 11.482 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.736 17.827 9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.356 19.217 10.802 1.00 0.00 H new ATOM 684 N VAL A 44 -2.223 17.376 9.391 1.00 0.00 N ATOM 685 CA VAL A 44 -3.365 17.811 8.595 1.00 0.00 C ATOM 686 C VAL A 44 -4.166 18.883 9.324 1.00 0.00 C ATOM 687 O VAL A 44 -4.451 18.758 10.515 1.00 0.00 O ATOM 688 CB VAL A 44 -4.295 16.631 8.256 1.00 0.00 C ATOM 689 CG1 VAL A 44 -5.258 16.365 9.403 1.00 0.00 C ATOM 690 CG2 VAL A 44 -5.052 16.904 6.966 1.00 0.00 C ATOM 0 H VAL A 44 -2.426 17.242 10.382 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.966 18.226 7.670 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.685 15.739 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.907 15.528 9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.693 16.123 10.303 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.864 17.253 9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.704 16.060 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.652 17.806 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.343 17.041 6.150 1.00 0.00 H new ATOM 700 N ASP A 45 -4.529 19.937 8.601 1.00 0.00 N ATOM 701 CA ASP A 45 -5.300 21.032 9.179 1.00 0.00 C ATOM 702 C ASP A 45 -6.752 20.978 8.714 1.00 0.00 C ATOM 703 O ASP A 45 -7.030 20.896 7.517 1.00 0.00 O ATOM 704 CB ASP A 45 -4.680 22.377 8.799 1.00 0.00 C ATOM 705 CG ASP A 45 -4.916 23.442 9.851 1.00 0.00 C ATOM 706 OD1 ASP A 45 -6.088 23.656 10.227 1.00 0.00 O ATOM 707 OD2 ASP A 45 -3.929 24.062 10.301 1.00 0.00 O ATOM 0 H ASP A 45 -4.302 20.056 7.614 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.280 20.925 10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.608 22.250 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.097 22.710 7.849 1.00 0.00 H new ATOM 712 N LEU A 46 -7.675 21.024 9.669 1.00 0.00 N ATOM 713 CA LEU A 46 -9.100 20.979 9.358 1.00 0.00 C ATOM 714 C LEU A 46 -9.570 22.305 8.768 1.00 0.00 C ATOM 715 O LEU A 46 -10.120 22.347 7.667 1.00 0.00 O ATOM 716 CB LEU A 46 -9.906 20.654 10.617 1.00 0.00 C ATOM 717 CG LEU A 46 -9.834 19.207 11.105 1.00 0.00 C ATOM 718 CD1 LEU A 46 -8.399 18.826 11.434 1.00 0.00 C ATOM 719 CD2 LEU A 46 -10.732 19.007 12.316 1.00 0.00 C ATOM 0 H LEU A 46 -7.462 21.092 10.664 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.261 20.195 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.564 21.305 11.421 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.951 20.901 10.429 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.187 18.556 10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.367 17.793 11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.781 18.929 10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.019 19.482 12.217 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.668 17.971 12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.410 19.668 13.121 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.763 19.238 12.047 1.00 0.00 H new ATOM 731 N LYS A 47 -9.348 23.387 9.506 1.00 0.00 N ATOM 732 CA LYS A 47 -9.745 24.716 9.055 1.00 0.00 C ATOM 733 C LYS A 47 -9.432 24.904 7.574 1.00 0.00 C ATOM 734 O LYS A 47 -10.337 24.985 6.745 1.00 0.00 O ATOM 735 CB LYS A 47 -9.033 25.791 9.879 1.00 0.00 C ATOM 736 CG LYS A 47 -9.092 25.547 11.377 1.00 0.00 C ATOM 737 CD LYS A 47 -9.375 26.830 12.140 1.00 0.00 C ATOM 738 CE LYS A 47 -8.486 26.957 13.368 1.00 0.00 C ATOM 739 NZ LYS A 47 -7.906 28.323 13.494 1.00 0.00 N ATOM 0 H LYS A 47 -8.895 23.370 10.420 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.821 24.814 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.989 25.843 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.480 26.761 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.868 24.813 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.147 25.123 11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.216 27.687 11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.422 26.850 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.066 26.725 14.261 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.681 26.224 13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.307 28.369 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.332 28.535 12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.674 29.020 13.574 1.00 0.00 H new ATOM 753 N GLN A 48 -8.145 24.973 7.251 1.00 0.00 N ATOM 754 CA GLN A 48 -7.713 25.151 5.869 1.00 0.00 C ATOM 755 C GLN A 48 -7.525 23.804 5.180 1.00 0.00 C ATOM 756 O GLN A 48 -7.633 22.751 5.810 1.00 0.00 O ATOM 757 CB GLN A 48 -6.410 25.950 5.819 1.00 0.00 C ATOM 758 CG GLN A 48 -6.510 27.320 6.469 1.00 0.00 C ATOM 759 CD GLN A 48 -5.436 28.275 5.988 1.00 0.00 C ATOM 760 OE1 GLN A 48 -4.402 28.442 6.635 1.00 0.00 O ATOM 761 NE2 GLN A 48 -5.675 28.909 4.846 1.00 0.00 N ATOM 0 H GLN A 48 -7.383 24.908 7.926 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.490 25.703 5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.624 25.379 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.108 26.072 4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.491 27.747 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.435 27.211 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.546 28.741 4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.988 29.564 4.473 1.00 0.00 H new ATOM 770 N LEU A 49 -7.242 23.843 3.882 1.00 0.00 N ATOM 771 CA LEU A 49 -7.039 22.625 3.106 1.00 0.00 C ATOM 772 C LEU A 49 -5.565 22.441 2.759 1.00 0.00 C ATOM 773 O LEU A 49 -5.176 22.521 1.594 1.00 0.00 O ATOM 774 CB LEU A 49 -7.875 22.667 1.826 1.00 0.00 C ATOM 775 CG LEU A 49 -9.391 22.735 2.016 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.844 21.721 3.055 1.00 0.00 C ATOM 777 CD2 LEU A 49 -9.815 24.139 2.419 1.00 0.00 C ATOM 0 H LEU A 49 -7.148 24.705 3.345 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.359 21.778 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.563 23.532 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.642 21.781 1.235 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.869 22.491 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.925 21.784 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.573 20.718 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.358 21.934 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.897 24.169 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.329 24.411 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.524 24.844 1.641 1.00 0.00 H new ATOM 789 N LYS A 50 -4.749 22.191 3.777 1.00 0.00 N ATOM 790 CA LYS A 50 -3.318 21.991 3.581 1.00 0.00 C ATOM 791 C LYS A 50 -2.857 20.687 4.226 1.00 0.00 C ATOM 792 O LYS A 50 -3.574 20.095 5.033 1.00 0.00 O ATOM 793 CB LYS A 50 -2.533 23.167 4.166 1.00 0.00 C ATOM 794 CG LYS A 50 -2.691 23.316 5.669 1.00 0.00 C ATOM 795 CD LYS A 50 -1.601 22.571 6.421 1.00 0.00 C ATOM 796 CE LYS A 50 -0.639 23.531 7.104 1.00 0.00 C ATOM 797 NZ LYS A 50 -1.334 24.410 8.084 1.00 0.00 N ATOM 0 H LYS A 50 -5.055 22.122 4.748 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.128 21.933 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.476 23.040 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.859 24.087 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.661 24.372 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.667 22.938 5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.054 21.917 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.051 21.934 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.139 22.963 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.145 24.146 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.674 24.674 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.670 25.269 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.145 23.902 8.492 1.00 0.00 H new ATOM 811 N VAL A 51 -1.656 20.246 3.865 1.00 0.00 N ATOM 812 CA VAL A 51 -1.099 19.014 4.410 1.00 0.00 C ATOM 813 C VAL A 51 0.412 19.122 4.579 1.00 0.00 C ATOM 814 O VAL A 51 1.115 19.593 3.684 1.00 0.00 O ATOM 815 CB VAL A 51 -1.419 17.806 3.510 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.627 16.586 3.952 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.912 17.516 3.520 1.00 0.00 C ATOM 0 H VAL A 51 -1.050 20.724 3.198 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.561 18.863 5.386 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.126 18.048 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.866 15.743 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.440 16.802 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.885 16.338 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.121 16.659 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.233 17.294 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.454 18.386 3.150 1.00 0.00 H new ATOM 827 N ASP A 52 0.906 18.684 5.731 1.00 0.00 N ATOM 828 CA ASP A 52 2.336 18.729 6.017 1.00 0.00 C ATOM 829 C ASP A 52 2.836 17.374 6.506 1.00 0.00 C ATOM 830 O ASP A 52 2.061 16.561 7.009 1.00 0.00 O ATOM 831 CB ASP A 52 2.634 19.804 7.064 1.00 0.00 C ATOM 832 CG ASP A 52 1.606 20.919 7.058 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.923 22.017 6.554 1.00 0.00 O ATOM 834 OD2 ASP A 52 0.484 20.692 7.557 1.00 0.00 O ATOM 0 H ASP A 52 0.338 18.293 6.483 1.00 0.00 H new ATOM 0 HA ASP A 52 2.858 18.977 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.663 19.346 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.622 20.224 6.878 1.00 0.00 H new ATOM 839 N GLN A 53 4.135 17.137 6.353 1.00 0.00 N ATOM 840 CA GLN A 53 4.737 15.879 6.777 1.00 0.00 C ATOM 841 C GLN A 53 5.473 16.047 8.103 1.00 0.00 C ATOM 842 O GLN A 53 6.198 17.021 8.302 1.00 0.00 O ATOM 843 CB GLN A 53 5.701 15.364 5.707 1.00 0.00 C ATOM 844 CG GLN A 53 5.788 13.848 5.645 1.00 0.00 C ATOM 845 CD GLN A 53 6.490 13.354 4.396 1.00 0.00 C ATOM 846 OE1 GLN A 53 6.794 14.133 3.492 1.00 0.00 O ATOM 847 NE2 GLN A 53 6.751 12.053 4.338 1.00 0.00 N ATOM 0 H GLN A 53 4.790 17.800 5.939 1.00 0.00 H new ATOM 0 HA GLN A 53 3.937 15.152 6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.386 15.742 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.694 15.769 5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.319 13.482 6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.783 13.428 5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.481 11.444 5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.221 11.663 3.521 1.00 0.00 H new ATOM 856 N GLY A 54 5.280 15.091 9.006 1.00 0.00 N ATOM 857 CA GLY A 54 5.932 15.153 10.302 1.00 0.00 C ATOM 858 C GLY A 54 4.941 15.187 11.448 1.00 0.00 C ATOM 859 O GLY A 54 3.785 14.793 11.292 1.00 0.00 O ATOM 0 H GLY A 54 4.684 14.275 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.587 14.289 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.564 16.040 10.345 1.00 0.00 H new ATOM 863 N VAL A 55 5.393 15.659 12.606 1.00 0.00 N ATOM 864 CA VAL A 55 4.538 15.743 13.784 1.00 0.00 C ATOM 865 C VAL A 55 4.323 17.192 14.205 1.00 0.00 C ATOM 866 O VAL A 55 5.270 17.893 14.565 1.00 0.00 O ATOM 867 CB VAL A 55 5.136 14.959 14.968 1.00 0.00 C ATOM 868 CG1 VAL A 55 6.538 15.457 15.284 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.234 15.069 16.188 1.00 0.00 C ATOM 0 H VAL A 55 6.347 15.989 12.753 1.00 0.00 H new ATOM 0 HA VAL A 55 3.579 15.301 13.512 1.00 0.00 H new ATOM 0 HB VAL A 55 5.205 13.908 14.689 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.944 14.892 16.123 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.177 15.322 14.412 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.498 16.515 15.544 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.671 14.510 17.015 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.132 16.116 16.472 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.252 14.660 15.952 1.00 0.00 H new ATOM 879 N PHE A 56 3.072 17.637 14.157 1.00 0.00 N ATOM 880 CA PHE A 56 2.732 19.004 14.534 1.00 0.00 C ATOM 881 C PHE A 56 3.269 19.336 15.923 1.00 0.00 C ATOM 882 O PHE A 56 3.357 18.467 16.790 1.00 0.00 O ATOM 883 CB PHE A 56 1.215 19.202 14.500 1.00 0.00 C ATOM 884 CG PHE A 56 0.801 20.634 14.311 1.00 0.00 C ATOM 885 CD1 PHE A 56 -0.158 21.205 15.131 1.00 0.00 C ATOM 886 CD2 PHE A 56 1.372 21.408 13.313 1.00 0.00 C ATOM 887 CE1 PHE A 56 -0.541 22.523 14.960 1.00 0.00 C ATOM 888 CE2 PHE A 56 0.994 22.725 13.138 1.00 0.00 C ATOM 889 CZ PHE A 56 0.035 23.283 13.962 1.00 0.00 C ATOM 0 H PHE A 56 2.277 17.071 13.861 1.00 0.00 H new ATOM 0 HA PHE A 56 3.196 19.679 13.815 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.796 18.602 13.692 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.787 18.828 15.430 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.612 20.614 15.913 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.121 20.977 12.665 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.290 22.957 15.606 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.448 23.318 12.358 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.263 24.312 13.825 1.00 0.00 H new ATOM 899 N ALA A 57 3.627 20.599 16.126 1.00 0.00 N ATOM 900 CA ALA A 57 4.154 21.047 17.409 1.00 0.00 C ATOM 901 C ALA A 57 3.142 20.821 18.527 1.00 0.00 C ATOM 902 O ALA A 57 3.514 20.623 19.683 1.00 0.00 O ATOM 903 CB ALA A 57 4.543 22.516 17.336 1.00 0.00 C ATOM 0 H ALA A 57 3.562 21.331 15.418 1.00 0.00 H new ATOM 0 HA ALA A 57 5.043 20.458 17.634 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.935 22.837 18.301 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.307 22.652 16.571 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.666 23.112 17.084 1.00 0.00 H new ATOM 909 N SER A 58 1.860 20.854 18.175 1.00 0.00 N ATOM 910 CA SER A 58 0.794 20.657 19.150 1.00 0.00 C ATOM 911 C SER A 58 -0.541 20.412 18.453 1.00 0.00 C ATOM 912 O SER A 58 -1.414 21.278 18.406 1.00 0.00 O ATOM 913 CB SER A 58 0.686 21.874 20.071 1.00 0.00 C ATOM 914 OG SER A 58 0.035 21.538 21.284 1.00 0.00 O ATOM 0 H SER A 58 1.535 21.015 17.222 1.00 0.00 H new ATOM 0 HA SER A 58 1.039 19.779 19.747 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.682 22.262 20.284 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.135 22.668 19.567 1.00 0.00 H new ATOM 0 HG SER A 58 -0.020 22.332 21.856 1.00 0.00 H new ATOM 920 N PRO A 59 -0.704 19.202 17.897 1.00 0.00 N ATOM 921 CA PRO A 59 -1.929 18.813 17.193 1.00 0.00 C ATOM 922 C PRO A 59 -3.113 18.646 18.139 1.00 0.00 C ATOM 923 O PRO A 59 -2.937 18.462 19.343 1.00 0.00 O ATOM 924 CB PRO A 59 -1.560 17.471 16.555 1.00 0.00 C ATOM 925 CG PRO A 59 -0.473 16.928 17.417 1.00 0.00 C ATOM 926 CD PRO A 59 0.296 18.120 17.914 1.00 0.00 C ATOM 0 HA PRO A 59 -2.244 19.570 16.475 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.416 16.797 16.526 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.222 17.601 15.527 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.884 16.354 18.248 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.173 16.255 16.853 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.691 17.954 18.916 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.145 18.347 17.270 1.00 0.00 H new ATOM 934 N ASP A 60 -4.319 18.710 17.586 1.00 0.00 N ATOM 935 CA ASP A 60 -5.533 18.564 18.381 1.00 0.00 C ATOM 936 C ASP A 60 -5.762 17.104 18.760 1.00 0.00 C ATOM 937 O ASP A 60 -6.244 16.804 19.853 1.00 0.00 O ATOM 938 CB ASP A 60 -6.741 19.098 17.609 1.00 0.00 C ATOM 939 CG ASP A 60 -7.671 19.916 18.483 1.00 0.00 C ATOM 940 OD1 ASP A 60 -8.479 20.690 17.928 1.00 0.00 O ATOM 941 OD2 ASP A 60 -7.591 19.782 19.722 1.00 0.00 O ATOM 0 H ASP A 60 -4.482 18.862 16.591 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.410 19.144 19.296 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.395 19.712 16.778 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.293 18.262 17.179 1.00 0.00 H new ATOM 946 N VAL A 61 -5.414 16.200 17.851 1.00 0.00 N ATOM 947 CA VAL A 61 -5.582 14.771 18.090 1.00 0.00 C ATOM 948 C VAL A 61 -4.463 13.969 17.435 1.00 0.00 C ATOM 949 O VAL A 61 -3.896 14.384 16.423 1.00 0.00 O ATOM 950 CB VAL A 61 -6.937 14.268 17.559 1.00 0.00 C ATOM 951 CG1 VAL A 61 -7.210 12.854 18.046 1.00 0.00 C ATOM 952 CG2 VAL A 61 -8.056 15.211 17.978 1.00 0.00 C ATOM 0 H VAL A 61 -5.014 16.431 16.942 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.547 14.625 19.170 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.897 14.249 16.470 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.172 12.516 17.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.423 12.189 17.691 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.231 12.842 19.136 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.007 14.841 17.594 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.099 15.263 19.066 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.864 16.205 17.574 1.00 0.00 H new ATOM 962 N THR A 62 -4.148 12.817 18.018 1.00 0.00 N ATOM 963 CA THR A 62 -3.096 11.956 17.492 1.00 0.00 C ATOM 964 C THR A 62 -3.608 10.538 17.265 1.00 0.00 C ATOM 965 O THR A 62 -3.807 9.780 18.215 1.00 0.00 O ATOM 966 CB THR A 62 -1.884 11.907 18.440 1.00 0.00 C ATOM 967 OG1 THR A 62 -1.671 13.194 19.031 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.631 11.471 17.695 1.00 0.00 C ATOM 0 H THR A 62 -4.607 12.458 18.855 1.00 0.00 H new ATOM 0 HA THR A 62 -2.785 12.383 16.539 1.00 0.00 H new ATOM 0 HB THR A 62 -2.093 11.179 19.224 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.899 13.154 19.634 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.212 11.444 18.386 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.786 10.478 17.272 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.420 12.178 16.893 1.00 0.00 H new ATOM 976 N VAL A 63 -3.819 10.185 16.001 1.00 0.00 N ATOM 977 CA VAL A 63 -4.306 8.856 15.650 1.00 0.00 C ATOM 978 C VAL A 63 -3.196 8.006 15.043 1.00 0.00 C ATOM 979 O VAL A 63 -2.390 8.492 14.248 1.00 0.00 O ATOM 980 CB VAL A 63 -5.480 8.934 14.655 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.964 9.040 13.228 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.392 7.726 14.813 1.00 0.00 C ATOM 0 H VAL A 63 -3.660 10.801 15.203 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.651 8.391 16.574 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.061 9.830 14.873 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.807 9.094 12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.355 9.938 13.127 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.360 8.164 12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.216 7.797 14.103 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.825 6.815 14.622 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.789 7.700 15.828 1.00 0.00 H new ATOM 992 N THR A 64 -3.158 6.733 15.423 1.00 0.00 N ATOM 993 CA THR A 64 -2.145 5.814 14.918 1.00 0.00 C ATOM 994 C THR A 64 -2.786 4.584 14.286 1.00 0.00 C ATOM 995 O THR A 64 -3.427 3.785 14.969 1.00 0.00 O ATOM 996 CB THR A 64 -1.187 5.363 16.036 1.00 0.00 C ATOM 997 OG1 THR A 64 -0.605 6.505 16.673 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.088 4.471 15.480 1.00 0.00 C ATOM 0 H THR A 64 -3.817 6.314 16.079 1.00 0.00 H new ATOM 0 HA THR A 64 -1.577 6.355 14.161 1.00 0.00 H new ATOM 0 HB THR A 64 -1.760 4.793 16.767 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.002 6.209 17.383 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.576 4.165 16.288 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.533 3.588 15.022 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.482 5.020 14.730 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.609 4.437 12.976 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.169 3.302 12.252 1.00 0.00 C ATOM 1008 C VAL A 65 -2.102 2.601 11.419 1.00 0.00 C ATOM 1009 O VAL A 65 -1.056 3.176 11.119 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.321 3.739 11.327 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -5.135 2.534 10.882 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -5.204 4.762 12.025 1.00 0.00 C ATOM 0 H VAL A 65 -2.082 5.090 12.395 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.556 2.610 13.000 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.895 4.206 10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.944 2.862 10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.492 1.840 10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.554 2.035 11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.013 5.060 11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.624 4.323 12.930 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.609 5.637 12.288 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.373 1.353 11.048 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.426 0.593 10.253 1.00 0.00 C ATOM 1024 C GLY A 66 -1.426 1.011 8.796 1.00 0.00 C ATOM 1025 O GLY A 66 -2.457 1.419 8.259 1.00 0.00 O ATOM 0 H GLY A 66 -3.231 0.855 11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.425 0.721 10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.666 -0.468 10.324 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.268 0.912 8.154 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.137 1.285 6.749 1.00 0.00 C ATOM 1031 C LEU A 67 -0.961 0.359 5.861 1.00 0.00 C ATOM 1032 O LEU A 67 -1.500 0.782 4.839 1.00 0.00 O ATOM 1033 CB LEU A 67 1.332 1.242 6.325 1.00 0.00 C ATOM 1034 CG LEU A 67 1.918 -0.147 6.073 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.248 -0.042 5.343 1.00 0.00 C ATOM 1036 CD2 LEU A 67 2.087 -0.900 7.385 1.00 0.00 C ATOM 0 H LEU A 67 0.594 0.577 8.583 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.514 2.301 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.444 1.832 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.927 1.730 7.097 1.00 0.00 H new ATOM 0 HG LEU A 67 1.224 -0.704 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.649 -1.041 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.099 0.457 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.950 0.533 5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.505 -1.887 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.760 -0.345 8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.117 -1.008 7.870 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.056 -0.906 6.260 1.00 0.00 N ATOM 1049 CA GLU A 68 -1.817 -1.891 5.500 1.00 0.00 C ATOM 1050 C GLU A 68 -3.300 -1.530 5.473 1.00 0.00 C ATOM 1051 O GLU A 68 -3.901 -1.414 4.405 1.00 0.00 O ATOM 1052 CB GLU A 68 -1.631 -3.286 6.101 1.00 0.00 C ATOM 1053 CG GLU A 68 -0.178 -3.720 6.193 1.00 0.00 C ATOM 1054 CD GLU A 68 0.052 -5.110 5.632 1.00 0.00 C ATOM 1055 OE1 GLU A 68 0.361 -5.219 4.427 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.078 -6.088 6.397 1.00 0.00 O ATOM 0 H GLU A 68 -0.616 -1.272 7.104 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.442 -1.891 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.071 -3.304 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.180 -4.009 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.445 -3.007 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.139 -3.696 7.236 1.00 0.00 H new ATOM 1063 N ASP A 69 -3.882 -1.355 6.654 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.293 -1.007 6.767 1.00 0.00 C ATOM 1065 C ASP A 69 -5.621 0.215 5.915 1.00 0.00 C ATOM 1066 O ASP A 69 -6.534 0.183 5.091 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.660 -0.740 8.227 1.00 0.00 C ATOM 1068 CG ASP A 69 -6.995 -1.347 8.610 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -7.333 -2.424 8.075 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -7.703 -0.745 9.444 1.00 0.00 O ATOM 0 H ASP A 69 -3.398 -1.449 7.547 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.880 -1.850 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.882 -1.145 8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.691 0.336 8.400 1.00 0.00 H new ATOM 1075 N MET A 70 -4.871 1.292 6.122 1.00 0.00 N ATOM 1076 CA MET A 70 -5.082 2.526 5.373 1.00 0.00 C ATOM 1077 C MET A 70 -4.919 2.287 3.875 1.00 0.00 C ATOM 1078 O MET A 70 -5.558 2.950 3.057 1.00 0.00 O ATOM 1079 CB MET A 70 -4.103 3.605 5.839 1.00 0.00 C ATOM 1080 CG MET A 70 -4.485 5.006 5.391 1.00 0.00 C ATOM 1081 SD MET A 70 -5.742 5.755 6.444 1.00 0.00 S ATOM 1082 CE MET A 70 -4.731 6.811 7.479 1.00 0.00 C ATOM 0 H MET A 70 -4.112 1.336 6.802 1.00 0.00 H new ATOM 0 HA MET A 70 -6.101 2.866 5.560 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.043 3.584 6.927 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.108 3.370 5.460 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.596 5.637 5.388 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.852 4.968 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.367 7.344 8.186 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.011 6.203 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.200 7.530 6.856 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.059 1.338 3.522 1.00 0.00 N ATOM 1093 CA LEU A 71 -3.811 1.012 2.122 1.00 0.00 C ATOM 1094 C LEU A 71 -5.114 0.676 1.403 1.00 0.00 C ATOM 1095 O LEU A 71 -5.450 1.288 0.389 1.00 0.00 O ATOM 1096 CB LEU A 71 -2.839 -0.164 2.016 1.00 0.00 C ATOM 1097 CG LEU A 71 -2.107 -0.312 0.682 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -0.913 -1.243 0.828 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -3.056 -0.823 -0.393 1.00 0.00 C ATOM 0 H LEU A 71 -3.522 0.781 4.186 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.368 1.885 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.095 -0.067 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.391 -1.084 2.209 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.741 0.669 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.405 -1.336 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.222 -0.836 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.255 -2.225 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.518 -0.922 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.452 -1.794 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.878 -0.119 -0.517 1.00 0.00 H new ATOM 1111 N ALA A 72 -5.843 -0.299 1.935 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.111 -0.713 1.346 1.00 0.00 C ATOM 1113 C ALA A 72 -8.062 0.471 1.202 1.00 0.00 C ATOM 1114 O ALA A 72 -8.902 0.497 0.302 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.751 -1.807 2.187 1.00 0.00 C ATOM 0 H ALA A 72 -5.578 -0.817 2.773 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.909 -1.107 0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.697 -2.106 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.083 -2.667 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.932 -1.432 3.194 1.00 0.00 H new ATOM 1121 N ILE A 73 -7.923 1.447 2.093 1.00 0.00 N ATOM 1122 CA ILE A 73 -8.770 2.633 2.063 1.00 0.00 C ATOM 1123 C ILE A 73 -8.333 3.593 0.962 1.00 0.00 C ATOM 1124 O ILE A 73 -9.105 3.907 0.056 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.749 3.373 3.413 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -8.894 2.379 4.568 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -9.855 4.416 3.463 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.750 3.014 5.933 1.00 0.00 C ATOM 0 H ILE A 73 -7.233 1.440 2.844 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.785 2.291 1.861 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.791 3.882 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.869 1.897 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.143 1.596 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.827 4.930 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.710 5.139 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.822 3.927 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.864 2.251 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.765 3.472 6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.517 3.777 6.062 1.00 0.00 H new ATOM 1140 N SER A 74 -7.090 4.055 1.047 1.00 0.00 N ATOM 1141 CA SER A 74 -6.550 4.981 0.058 1.00 0.00 C ATOM 1142 C SER A 74 -6.657 4.399 -1.348 1.00 0.00 C ATOM 1143 O SER A 74 -6.689 5.133 -2.335 1.00 0.00 O ATOM 1144 CB SER A 74 -5.090 5.307 0.378 1.00 0.00 C ATOM 1145 OG SER A 74 -4.209 4.551 -0.435 1.00 0.00 O ATOM 0 H SER A 74 -6.438 3.804 1.790 1.00 0.00 H new ATOM 0 HA SER A 74 -7.137 5.899 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.909 6.371 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.889 5.098 1.429 1.00 0.00 H new ATOM 0 HG SER A 74 -3.459 5.115 -0.717 1.00 0.00 H new ATOM 1151 N GLY A 75 -6.711 3.073 -1.430 1.00 0.00 N ATOM 1152 CA GLY A 75 -6.814 2.413 -2.718 1.00 0.00 C ATOM 1153 C GLY A 75 -8.240 2.356 -3.229 1.00 0.00 C ATOM 1154 O GLY A 75 -8.516 1.737 -4.257 1.00 0.00 O ATOM 0 H GLY A 75 -6.685 2.444 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.193 2.939 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.420 1.400 -2.636 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.151 3.002 -2.508 1.00 0.00 N ATOM 1159 CA LYS A 76 -10.557 3.023 -2.893 1.00 0.00 C ATOM 1160 C LYS A 76 -11.155 1.620 -2.845 1.00 0.00 C ATOM 1161 O LYS A 76 -11.687 1.126 -3.840 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.715 3.609 -4.298 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.029 4.340 -4.508 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.507 4.225 -5.946 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.664 3.246 -6.072 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.269 3.274 -7.433 1.00 0.00 N ATOM 0 H LYS A 76 -8.940 3.518 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.093 3.652 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.892 4.297 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.636 2.804 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.785 3.931 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.907 5.391 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.818 5.206 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.682 3.899 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.312 2.238 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.426 3.487 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.054 2.593 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.627 4.229 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.549 3.019 -8.138 1.00 0.00 H new ATOM 1180 N THR A 77 -11.066 0.982 -1.682 1.00 0.00 N ATOM 1181 CA THR A 77 -11.598 -0.363 -1.505 1.00 0.00 C ATOM 1182 C THR A 77 -12.284 -0.509 -0.152 1.00 0.00 C ATOM 1183 O THR A 77 -13.471 -0.831 -0.078 1.00 0.00 O ATOM 1184 CB THR A 77 -10.489 -1.425 -1.623 1.00 0.00 C ATOM 1185 OG1 THR A 77 -9.765 -1.244 -2.845 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.077 -2.828 -1.579 1.00 0.00 C ATOM 0 H THR A 77 -10.630 1.376 -0.848 1.00 0.00 H new ATOM 0 HA THR A 77 -12.329 -0.521 -2.298 1.00 0.00 H new ATOM 0 HB THR A 77 -9.810 -1.305 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.061 -1.922 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.275 -3.561 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.603 -2.973 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.775 -2.956 -2.406 1.00 0.00 H new ATOM 1194 N LEU A 78 -11.532 -0.271 0.916 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.069 -0.375 2.269 1.00 0.00 C ATOM 1196 C LEU A 78 -12.645 0.959 2.730 1.00 0.00 C ATOM 1197 O LEU A 78 -12.457 1.988 2.080 1.00 0.00 O ATOM 1198 CB LEU A 78 -10.978 -0.835 3.237 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.065 -2.288 3.706 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -9.806 -2.681 4.464 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -12.298 -2.496 4.572 1.00 0.00 C ATOM 0 H LEU A 78 -10.548 -0.005 0.872 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.872 -1.112 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.010 -0.686 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.003 -0.189 4.115 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.150 -2.928 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.886 -3.718 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.940 -2.572 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.689 -2.035 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.344 -3.536 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.244 -1.845 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.192 -2.256 3.996 1.00 0.00 H new ATOM 1213 N THR A 79 -13.348 0.936 3.859 1.00 0.00 N ATOM 1214 CA THR A 79 -13.951 2.143 4.409 1.00 0.00 C ATOM 1215 C THR A 79 -13.563 2.335 5.871 1.00 0.00 C ATOM 1216 O THR A 79 -13.148 1.391 6.542 1.00 0.00 O ATOM 1217 CB THR A 79 -15.487 2.105 4.298 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.023 1.176 5.247 1.00 0.00 O ATOM 1219 CG2 THR A 79 -15.918 1.709 2.894 1.00 0.00 C ATOM 0 H THR A 79 -13.513 0.094 4.410 1.00 0.00 H new ATOM 0 HA THR A 79 -13.572 2.980 3.823 1.00 0.00 H new ATOM 0 HB THR A 79 -15.870 3.103 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.000 1.159 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.006 1.689 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.532 2.434 2.177 1.00 0.00 H new ATOM 0 HG23 THR A 79 -15.525 0.720 2.658 1.00 0.00 H new ATOM 1227 N VAL A 80 -13.701 3.564 6.358 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.366 3.879 7.742 1.00 0.00 C ATOM 1229 C VAL A 80 -14.103 2.960 8.709 1.00 0.00 C ATOM 1230 O VAL A 80 -13.508 2.407 9.633 1.00 0.00 O ATOM 1231 CB VAL A 80 -13.707 5.343 8.082 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.536 5.598 9.572 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -12.843 6.293 7.267 1.00 0.00 C ATOM 0 H VAL A 80 -14.042 4.357 5.815 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.292 3.728 7.850 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.750 5.525 7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.781 6.637 9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.201 4.941 10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.503 5.400 9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.097 7.323 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.792 6.113 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.020 6.126 6.205 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.405 2.799 8.489 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.203 1.944 9.348 1.00 0.00 C ATOM 1245 C GLY A 81 -15.614 0.555 9.493 1.00 0.00 C ATOM 1246 O GLY A 81 -15.582 -0.002 10.590 1.00 0.00 O ATOM 0 H GLY A 81 -15.921 3.246 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.290 2.403 10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.212 1.867 8.942 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.148 -0.006 8.383 1.00 0.00 N ATOM 1251 CA ASP A 82 -14.557 -1.340 8.390 1.00 0.00 C ATOM 1252 C ASP A 82 -13.296 -1.371 9.248 1.00 0.00 C ATOM 1253 O ASP A 82 -13.183 -2.175 10.173 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.230 -1.784 6.964 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.076 -2.958 6.514 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -15.773 -2.829 5.486 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.041 -4.008 7.190 1.00 0.00 O ATOM 0 H ASP A 82 -15.168 0.442 7.467 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.284 -2.030 8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.383 -0.947 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.176 -2.055 6.904 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.351 -0.492 8.934 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.099 -0.418 9.676 1.00 0.00 C ATOM 1264 C ALA A 83 -11.352 -0.145 11.155 1.00 0.00 C ATOM 1265 O ALA A 83 -10.623 -0.631 12.020 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.197 0.656 9.086 1.00 0.00 C ATOM 0 H ALA A 83 -12.429 0.179 8.170 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.599 -1.383 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.266 0.700 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.979 0.417 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.699 1.622 9.139 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.389 0.636 11.438 1.00 0.00 N ATOM 1273 CA LEU A 84 -12.738 0.975 12.813 1.00 0.00 C ATOM 1274 C LEU A 84 -13.234 -0.254 13.568 1.00 0.00 C ATOM 1275 O LEU A 84 -12.896 -0.458 14.734 1.00 0.00 O ATOM 1276 CB LEU A 84 -13.810 2.067 12.833 1.00 0.00 C ATOM 1277 CG LEU A 84 -13.722 3.072 13.982 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.446 3.893 13.877 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -14.943 3.980 13.990 1.00 0.00 C ATOM 0 H LEU A 84 -13.002 1.046 10.734 1.00 0.00 H new ATOM 0 HA LEU A 84 -11.841 1.345 13.309 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.759 2.615 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -14.788 1.588 12.870 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.698 2.520 14.921 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.401 4.603 14.703 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.582 3.230 13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.439 4.436 12.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -14.864 4.689 14.814 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -14.998 4.524 13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -15.843 3.378 14.114 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.035 -1.072 12.894 1.00 0.00 N ATOM 1292 CA LYS A 85 -14.575 -2.284 13.499 1.00 0.00 C ATOM 1293 C LYS A 85 -13.461 -3.273 13.824 1.00 0.00 C ATOM 1294 O LYS A 85 -13.547 -4.019 14.799 1.00 0.00 O ATOM 1295 CB LYS A 85 -15.592 -2.937 12.560 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.013 -4.331 12.994 1.00 0.00 C ATOM 1297 CD LYS A 85 -17.519 -4.510 12.908 1.00 0.00 C ATOM 1298 CE LYS A 85 -18.012 -5.561 13.892 1.00 0.00 C ATOM 1299 NZ LYS A 85 -19.017 -5.005 14.840 1.00 0.00 N ATOM 0 H LYS A 85 -14.325 -0.918 11.928 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.072 -2.006 14.428 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.476 -2.302 12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.167 -2.990 11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.521 -5.073 12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.682 -4.510 14.017 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.012 -3.559 13.112 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.795 -4.801 11.894 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.452 -6.394 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.166 -5.959 14.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.328 -5.752 15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.590 -4.227 15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.836 -4.648 14.308 1.00 0.00 H new ATOM 1313 N GLN A 86 -12.415 -3.270 13.004 1.00 0.00 N ATOM 1314 CA GLN A 86 -11.283 -4.167 13.207 1.00 0.00 C ATOM 1315 C GLN A 86 -10.484 -3.764 14.441 1.00 0.00 C ATOM 1316 O GLN A 86 -10.079 -4.612 15.235 1.00 0.00 O ATOM 1317 CB GLN A 86 -10.377 -4.165 11.975 1.00 0.00 C ATOM 1318 CG GLN A 86 -11.060 -4.675 10.716 1.00 0.00 C ATOM 1319 CD GLN A 86 -10.109 -4.788 9.541 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -8.891 -4.833 9.715 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -10.661 -4.836 8.334 1.00 0.00 N ATOM 0 H GLN A 86 -12.328 -2.657 12.193 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.672 -5.173 13.362 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.020 -3.150 11.799 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.501 -4.781 12.178 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.501 -5.651 10.917 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.878 -4.004 10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.675 -4.796 8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.071 -4.913 7.506 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.260 -2.463 14.597 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.509 -1.970 15.737 1.00 0.00 C ATOM 1332 C GLY A 87 -8.082 -1.605 15.377 1.00 0.00 C ATOM 1333 O GLY A 87 -7.215 -1.528 16.248 1.00 0.00 O ATOM 0 H GLY A 87 -10.585 -1.741 13.954 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.012 -1.095 16.149 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.500 -2.730 16.519 1.00 0.00 H new ATOM 1337 N LYS A 88 -7.837 -1.381 14.091 1.00 0.00 N ATOM 1338 CA LYS A 88 -6.505 -1.022 13.617 1.00 0.00 C ATOM 1339 C LYS A 88 -6.195 0.440 13.922 1.00 0.00 C ATOM 1340 O LYS A 88 -5.048 0.797 14.193 1.00 0.00 O ATOM 1341 CB LYS A 88 -6.392 -1.275 12.112 1.00 0.00 C ATOM 1342 CG LYS A 88 -6.963 -2.613 11.675 1.00 0.00 C ATOM 1343 CD LYS A 88 -6.385 -3.758 12.490 1.00 0.00 C ATOM 1344 CE LYS A 88 -6.100 -4.973 11.619 1.00 0.00 C ATOM 1345 NZ LYS A 88 -4.641 -5.246 11.507 1.00 0.00 N ATOM 0 H LYS A 88 -8.543 -1.442 13.358 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.780 -1.646 14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.909 -0.477 11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.343 -1.225 11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.048 -2.600 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.750 -2.773 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.465 -3.433 12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.083 -4.032 13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.601 -5.846 12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.517 -4.813 10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.489 -6.081 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.165 -4.424 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.248 -5.424 12.453 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.223 1.281 13.876 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.059 2.703 14.151 1.00 0.00 C ATOM 1361 C ILE A 89 -7.015 2.972 15.651 1.00 0.00 C ATOM 1362 O ILE A 89 -8.008 2.786 16.354 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.196 3.531 13.525 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.348 3.191 12.041 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.931 5.018 13.708 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.710 2.637 11.685 1.00 0.00 C ATOM 0 H ILE A 89 -8.178 1.002 13.651 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.112 3.004 13.703 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.128 3.282 14.033 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.164 4.088 11.450 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.585 2.464 11.763 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.744 5.590 13.260 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.868 5.248 14.772 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.991 5.282 13.223 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.746 2.419 10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.889 1.722 12.249 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.477 3.371 11.931 1.00 0.00 H new ATOM 1378 N GLU A 90 -5.857 3.411 16.134 1.00 0.00 N ATOM 1379 CA GLU A 90 -5.685 3.707 17.552 1.00 0.00 C ATOM 1380 C GLU A 90 -5.984 5.175 17.841 1.00 0.00 C ATOM 1381 O GLU A 90 -5.710 6.051 17.019 1.00 0.00 O ATOM 1382 CB GLU A 90 -4.261 3.368 17.997 1.00 0.00 C ATOM 1383 CG GLU A 90 -4.013 1.878 18.161 1.00 0.00 C ATOM 1384 CD GLU A 90 -2.549 1.510 18.012 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -2.237 0.301 18.034 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -1.717 2.430 17.876 1.00 0.00 O ATOM 0 H GLU A 90 -5.025 3.569 15.565 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.389 3.093 18.113 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.557 3.767 17.267 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.056 3.868 18.944 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.365 1.561 19.142 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.598 1.332 17.421 1.00 0.00 H new ATOM 1393 N LEU A 91 -6.547 5.438 19.015 1.00 0.00 N ATOM 1394 CA LEU A 91 -6.885 6.800 19.415 1.00 0.00 C ATOM 1395 C LEU A 91 -5.995 7.267 20.562 1.00 0.00 C ATOM 1396 O LEU A 91 -5.566 6.466 21.394 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.355 6.882 19.828 1.00 0.00 C ATOM 1398 CG LEU A 91 -8.985 5.581 20.327 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -8.304 5.113 21.604 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -10.479 5.765 20.555 1.00 0.00 C ATOM 0 H LEU A 91 -6.779 4.726 19.707 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.718 7.455 18.560 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.450 7.633 20.613 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.932 7.238 18.975 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.845 4.816 19.563 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.766 4.186 21.944 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.245 4.941 21.410 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.412 5.876 22.375 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.911 4.829 20.910 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.640 6.544 21.300 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.957 6.053 19.619 1.00 0.00 H new ATOM 1412 N SER A 92 -5.724 8.567 20.603 1.00 0.00 N ATOM 1413 CA SER A 92 -4.884 9.141 21.648 1.00 0.00 C ATOM 1414 C SER A 92 -4.873 10.664 21.561 1.00 0.00 C ATOM 1415 O SER A 92 -4.463 11.237 20.553 1.00 0.00 O ATOM 1416 CB SER A 92 -3.456 8.602 21.537 1.00 0.00 C ATOM 1417 OG SER A 92 -3.280 7.867 20.338 1.00 0.00 O ATOM 0 H SER A 92 -6.074 9.243 19.924 1.00 0.00 H new ATOM 0 HA SER A 92 -5.300 8.853 22.613 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.748 9.430 21.567 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.237 7.964 22.394 1.00 0.00 H new ATOM 0 HG SER A 92 -3.429 8.456 19.569 1.00 0.00 H new ATOM 1423 N GLY A 93 -5.328 11.314 22.628 1.00 0.00 N ATOM 1424 CA GLY A 93 -5.363 12.765 22.653 1.00 0.00 C ATOM 1425 C GLY A 93 -6.737 13.306 22.995 1.00 0.00 C ATOM 1426 O GLY A 93 -7.157 13.266 24.152 1.00 0.00 O ATOM 0 H GLY A 93 -5.673 10.862 23.475 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.640 13.130 23.383 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.056 13.150 21.680 1.00 0.00 H new ATOM 1430 N ASP A 94 -7.439 13.814 21.988 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.774 14.366 22.188 1.00 0.00 C ATOM 1432 C ASP A 94 -9.820 13.538 21.449 1.00 0.00 C ATOM 1433 O ASP A 94 -10.280 13.918 20.373 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.825 15.819 21.712 1.00 0.00 C ATOM 1435 CG ASP A 94 -8.555 16.805 22.831 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -9.285 17.815 22.921 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -7.616 16.567 23.618 1.00 0.00 O ATOM 0 H ASP A 94 -7.106 13.855 21.025 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.998 14.334 23.254 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.091 15.964 20.919 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.805 16.023 21.281 1.00 0.00 H new ATOM 1442 N ALA A 95 -10.192 12.405 22.035 1.00 0.00 N ATOM 1443 CA ALA A 95 -11.185 11.524 21.433 1.00 0.00 C ATOM 1444 C ALA A 95 -12.380 12.317 20.915 1.00 0.00 C ATOM 1445 O ALA A 95 -12.948 11.992 19.872 1.00 0.00 O ATOM 1446 CB ALA A 95 -11.640 10.476 22.438 1.00 0.00 C ATOM 0 H ALA A 95 -9.821 12.076 22.926 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.721 11.020 20.585 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.381 9.825 21.975 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.784 9.881 22.757 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -12.081 10.970 23.304 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.758 13.357 21.650 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.886 14.196 21.264 1.00 0.00 C ATOM 1454 C ASP A 96 -13.749 14.661 19.818 1.00 0.00 C ATOM 1455 O ASP A 96 -14.700 14.589 19.038 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.990 15.407 22.194 1.00 0.00 C ATOM 1457 CG ASP A 96 -15.398 15.617 22.716 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -16.265 16.051 21.928 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.633 15.346 23.912 1.00 0.00 O ATOM 0 H ASP A 96 -12.300 13.639 22.516 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.795 13.601 21.350 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.310 15.275 23.035 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.667 16.300 21.660 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.560 15.137 19.466 1.00 0.00 N ATOM 1465 CA LEU A 97 -12.297 15.615 18.112 1.00 0.00 C ATOM 1466 C LEU A 97 -12.258 14.454 17.123 1.00 0.00 C ATOM 1467 O LEU A 97 -12.956 14.465 16.110 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.975 16.382 18.069 1.00 0.00 C ATOM 1469 CG LEU A 97 -11.071 17.897 18.254 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -10.525 18.304 19.614 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -10.327 18.619 17.140 1.00 0.00 C ATOM 0 H LEU A 97 -11.763 15.203 20.099 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.108 16.285 17.825 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.321 15.982 18.844 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.494 16.183 17.112 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.122 18.184 18.207 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.601 19.385 19.728 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.102 17.815 20.399 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.480 18.004 19.691 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.406 19.696 17.288 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.277 18.327 17.155 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.764 18.352 16.178 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.437 13.454 17.426 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.309 12.284 16.566 1.00 0.00 C ATOM 1485 C ALA A 98 -12.673 11.668 16.271 1.00 0.00 C ATOM 1486 O ALA A 98 -12.880 11.071 15.215 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.391 11.254 17.208 1.00 0.00 C ATOM 0 H ALA A 98 -10.851 13.431 18.260 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.872 12.605 15.621 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.305 10.386 16.555 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.405 11.692 17.362 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.805 10.946 18.168 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.600 11.816 17.212 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.944 11.276 17.052 1.00 0.00 C ATOM 1495 C ALA A 99 -15.655 11.915 15.864 1.00 0.00 C ATOM 1496 O ALA A 99 -16.386 11.247 15.131 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.751 11.481 18.325 1.00 0.00 C ATOM 0 H ALA A 99 -13.444 12.306 18.093 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.858 10.207 16.858 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.753 11.073 18.191 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.259 10.971 19.153 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.820 12.546 18.544 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.437 13.212 15.678 1.00 0.00 N ATOM 1504 CA LYS A 100 -16.056 13.943 14.579 1.00 0.00 C ATOM 1505 C LYS A 100 -15.592 13.396 13.233 1.00 0.00 C ATOM 1506 O LYS A 100 -16.318 13.463 12.240 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.724 15.433 14.678 1.00 0.00 C ATOM 1508 CG LYS A 100 -16.742 16.232 15.474 1.00 0.00 C ATOM 1509 CD LYS A 100 -16.665 15.912 16.958 1.00 0.00 C ATOM 1510 CE LYS A 100 -17.906 15.171 17.432 1.00 0.00 C ATOM 1511 NZ LYS A 100 -18.245 15.504 18.844 1.00 0.00 N ATOM 0 H LYS A 100 -14.835 13.779 16.275 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.136 13.813 14.652 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.743 15.548 15.139 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.654 15.849 13.673 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.570 17.297 15.321 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.745 16.015 15.106 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -15.780 15.307 17.156 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.552 16.836 17.525 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.748 15.423 16.787 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.745 14.097 17.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.096 14.979 19.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.452 15.240 19.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.424 16.525 18.927 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.379 12.855 13.206 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.818 12.295 11.981 1.00 0.00 C ATOM 1527 C LEU A 101 -14.483 10.967 11.635 1.00 0.00 C ATOM 1528 O LEU A 101 -14.843 10.723 10.484 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.309 12.099 12.131 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.539 11.798 10.844 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -11.119 13.090 10.160 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -10.326 10.929 11.139 1.00 0.00 C ATOM 0 H LEU A 101 -13.765 12.792 14.018 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.008 12.997 11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.889 12.999 12.580 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.137 11.283 12.833 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.197 11.250 10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.572 12.857 9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.005 13.676 9.914 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.479 13.664 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.790 10.725 10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.666 11.449 11.833 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.652 9.989 11.584 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.645 10.113 12.641 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.271 8.811 12.444 1.00 0.00 C ATOM 1546 C ALA A 102 -16.777 8.950 12.248 1.00 0.00 C ATOM 1547 O ALA A 102 -17.398 8.147 11.553 1.00 0.00 O ATOM 1548 CB ALA A 102 -14.972 7.898 13.623 1.00 0.00 C ATOM 0 H ALA A 102 -14.352 10.299 13.600 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.853 8.367 11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -15.446 6.929 13.462 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.894 7.764 13.715 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.362 8.345 14.537 1.00 0.00 H new ATOM 1554 N GLU A 103 -17.358 9.974 12.867 1.00 0.00 N ATOM 1555 CA GLU A 103 -18.792 10.215 12.762 1.00 0.00 C ATOM 1556 C GLU A 103 -19.151 10.764 11.384 1.00 0.00 C ATOM 1557 O GLU A 103 -19.992 10.205 10.680 1.00 0.00 O ATOM 1558 CB GLU A 103 -19.248 11.192 13.847 1.00 0.00 C ATOM 1559 CG GLU A 103 -19.440 10.543 15.208 1.00 0.00 C ATOM 1560 CD GLU A 103 -20.477 11.257 16.053 1.00 0.00 C ATOM 1561 OE1 GLU A 103 -21.010 10.630 16.993 1.00 0.00 O ATOM 1562 OE2 GLU A 103 -20.757 12.442 15.775 1.00 0.00 O ATOM 0 H GLU A 103 -16.858 10.649 13.446 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.306 9.264 12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.513 11.992 13.936 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.186 11.653 13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.740 9.504 15.072 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.488 10.533 15.739 1.00 0.00 H new ATOM 1569 N VAL A 104 -18.508 11.864 11.006 1.00 0.00 N ATOM 1570 CA VAL A 104 -18.758 12.490 9.713 1.00 0.00 C ATOM 1571 C VAL A 104 -18.623 11.481 8.578 1.00 0.00 C ATOM 1572 O VAL A 104 -19.262 11.616 7.535 1.00 0.00 O ATOM 1573 CB VAL A 104 -17.792 13.663 9.460 1.00 0.00 C ATOM 1574 CG1 VAL A 104 -16.374 13.151 9.253 1.00 0.00 C ATOM 1575 CG2 VAL A 104 -18.251 14.483 8.265 1.00 0.00 C ATOM 0 H VAL A 104 -17.810 12.340 11.577 1.00 0.00 H new ATOM 0 HA VAL A 104 -19.779 12.870 9.738 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.795 14.310 10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.705 13.993 9.076 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.049 12.611 10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.351 12.482 8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.557 15.307 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -18.278 13.850 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -19.247 14.881 8.458 1.00 0.00 H new ATOM 1585 N ILE A 105 -17.788 10.470 8.790 1.00 0.00 N ATOM 1586 CA ILE A 105 -17.570 9.436 7.785 1.00 0.00 C ATOM 1587 C ILE A 105 -18.591 8.312 7.923 1.00 0.00 C ATOM 1588 O ILE A 105 -18.923 7.638 6.948 1.00 0.00 O ATOM 1589 CB ILE A 105 -16.153 8.842 7.887 1.00 0.00 C ATOM 1590 CG1 ILE A 105 -15.104 9.917 7.594 1.00 0.00 C ATOM 1591 CG2 ILE A 105 -16.000 7.670 6.929 1.00 0.00 C ATOM 1592 CD1 ILE A 105 -15.129 10.413 6.165 1.00 0.00 C ATOM 0 H ILE A 105 -17.251 10.344 9.648 1.00 0.00 H new ATOM 0 HA ILE A 105 -17.686 9.912 6.812 1.00 0.00 H new ATOM 0 HB ILE A 105 -15.999 8.478 8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -15.263 10.761 8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.114 9.517 7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -14.993 7.261 7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -16.728 6.898 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -16.170 8.011 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -14.359 11.173 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -14.940 9.580 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -16.106 10.844 5.946 1.00 0.00 H new ATOM 1604 N HIS A 106 -19.088 8.117 9.141 1.00 0.00 N ATOM 1605 CA HIS A 106 -20.074 7.075 9.406 1.00 0.00 C ATOM 1606 C HIS A 106 -20.620 7.193 10.826 1.00 0.00 C ATOM 1607 O HIS A 106 -19.861 7.354 11.782 1.00 0.00 O ATOM 1608 CB HIS A 106 -19.455 5.693 9.198 1.00 0.00 C ATOM 1609 CG HIS A 106 -18.499 5.295 10.281 1.00 0.00 C ATOM 1610 ND1 HIS A 106 -17.170 5.664 10.284 1.00 0.00 N ATOM 1611 CD2 HIS A 106 -18.686 4.559 11.401 1.00 0.00 C ATOM 1612 CE1 HIS A 106 -16.581 5.170 11.358 1.00 0.00 C ATOM 1613 NE2 HIS A 106 -17.479 4.495 12.053 1.00 0.00 N ATOM 0 H HIS A 106 -18.824 8.666 9.959 1.00 0.00 H new ATOM 0 HA HIS A 106 -20.900 7.204 8.706 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -20.252 4.952 9.138 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -18.934 5.678 8.241 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -16.713 6.230 9.569 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -19.612 4.106 11.722 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.542 5.296 11.623 1.00 0.00 H new ATOM 1621 N HIS A 107 -21.940 7.112 10.956 1.00 0.00 N ATOM 1622 CA HIS A 107 -22.588 7.210 12.259 1.00 0.00 C ATOM 1623 C HIS A 107 -22.352 8.583 12.881 1.00 0.00 C ATOM 1624 O HIS A 107 -21.425 8.767 13.672 1.00 0.00 O ATOM 1625 CB HIS A 107 -22.068 6.118 13.194 1.00 0.00 C ATOM 1626 CG HIS A 107 -23.029 4.985 13.385 1.00 0.00 C ATOM 1627 ND1 HIS A 107 -23.257 4.389 14.607 1.00 0.00 N ATOM 1628 CD2 HIS A 107 -23.826 4.341 12.500 1.00 0.00 C ATOM 1629 CE1 HIS A 107 -24.150 3.426 14.465 1.00 0.00 C ATOM 1630 NE2 HIS A 107 -24.512 3.377 13.196 1.00 0.00 N ATOM 0 H HIS A 107 -22.582 6.979 10.175 1.00 0.00 H new ATOM 0 HA HIS A 107 -23.660 7.075 12.115 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -21.132 5.726 12.796 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -21.842 6.560 14.165 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -23.907 4.547 11.443 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -24.521 2.787 15.253 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -25.191 2.728 12.798 1.00 0.00 H new ATOM 1638 N HIS A 108 -23.195 9.545 12.518 1.00 0.00 N ATOM 1639 CA HIS A 108 -23.077 10.902 13.041 1.00 0.00 C ATOM 1640 C HIS A 108 -24.192 11.198 14.039 1.00 0.00 C ATOM 1641 O HIS A 108 -25.375 11.140 13.700 1.00 0.00 O ATOM 1642 CB HIS A 108 -23.118 11.916 11.898 1.00 0.00 C ATOM 1643 CG HIS A 108 -24.343 11.807 11.043 1.00 0.00 C ATOM 1644 ND1 HIS A 108 -24.487 10.859 10.053 1.00 0.00 N ATOM 1645 CD2 HIS A 108 -25.485 12.534 11.036 1.00 0.00 C ATOM 1646 CE1 HIS A 108 -25.665 11.008 9.473 1.00 0.00 C ATOM 1647 NE2 HIS A 108 -26.290 12.017 10.051 1.00 0.00 N ATOM 0 H HIS A 108 -23.966 9.410 11.864 1.00 0.00 H new ATOM 0 HA HIS A 108 -22.120 10.985 13.557 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -23.064 12.922 12.314 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -22.235 11.782 11.273 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.719 13.365 11.684 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -26.051 10.406 8.663 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.220 12.357 9.806 1.00 0.00 H new ATOM 1655 N HIS A 109 -23.808 11.513 15.272 1.00 0.00 N ATOM 1656 CA HIS A 109 -24.776 11.818 16.320 1.00 0.00 C ATOM 1657 C HIS A 109 -25.654 10.606 16.618 1.00 0.00 C ATOM 1658 O HIS A 109 -26.708 10.425 16.008 1.00 0.00 O ATOM 1659 CB HIS A 109 -25.648 13.005 15.909 1.00 0.00 C ATOM 1660 CG HIS A 109 -26.378 13.637 17.054 1.00 0.00 C ATOM 1661 ND1 HIS A 109 -25.762 14.447 17.984 1.00 0.00 N ATOM 1662 CD2 HIS A 109 -27.681 13.574 17.416 1.00 0.00 C ATOM 1663 CE1 HIS A 109 -26.654 14.855 18.869 1.00 0.00 C ATOM 1664 NE2 HIS A 109 -27.827 14.339 18.547 1.00 0.00 N ATOM 0 H HIS A 109 -22.834 11.564 15.570 1.00 0.00 H new ATOM 0 HA HIS A 109 -24.225 12.077 17.224 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -25.021 13.757 15.429 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -26.373 12.673 15.166 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -28.461 13.024 16.910 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -26.458 15.501 19.712 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -28.699 14.485 19.056 1.00 0.00 H new ATOM 1672 N HIS A 110 -25.211 9.778 17.559 1.00 0.00 N ATOM 1673 CA HIS A 110 -25.957 8.583 17.938 1.00 0.00 C ATOM 1674 C HIS A 110 -27.013 8.911 18.989 1.00 0.00 C ATOM 1675 O HIS A 110 -28.206 8.697 18.774 1.00 0.00 O ATOM 1676 CB HIS A 110 -25.006 7.510 18.471 1.00 0.00 C ATOM 1677 CG HIS A 110 -25.614 6.142 18.519 1.00 0.00 C ATOM 1678 ND1 HIS A 110 -26.358 5.687 19.586 1.00 0.00 N ATOM 1679 CD2 HIS A 110 -25.584 5.128 17.623 1.00 0.00 C ATOM 1680 CE1 HIS A 110 -26.760 4.451 19.345 1.00 0.00 C ATOM 1681 NE2 HIS A 110 -26.304 4.089 18.160 1.00 0.00 N ATOM 0 H HIS A 110 -24.340 9.912 18.073 1.00 0.00 H new ATOM 0 HA HIS A 110 -26.461 8.203 17.049 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -24.115 7.481 17.843 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -24.681 7.790 19.473 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -25.087 5.135 16.664 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -27.359 3.841 20.005 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -26.461 3.184 17.715 1.00 0.00 H new ATOM 1689 N HIS A 111 -26.565 9.432 20.128 1.00 0.00 N ATOM 1690 CA HIS A 111 -27.471 9.790 21.213 1.00 0.00 C ATOM 1691 C HIS A 111 -28.185 8.555 21.754 1.00 0.00 C ATOM 1692 O HIS A 111 -29.344 8.301 21.422 1.00 0.00 O ATOM 1693 CB HIS A 111 -28.497 10.817 20.731 1.00 0.00 C ATOM 1694 CG HIS A 111 -29.246 11.483 21.844 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -30.496 12.042 21.682 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -28.914 11.677 23.142 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -30.900 12.553 22.831 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -29.959 12.344 23.734 1.00 0.00 N ATOM 0 H HIS A 111 -25.581 9.615 20.323 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.880 10.228 22.018 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -27.987 11.578 20.141 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -29.209 10.324 20.069 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -27.998 11.365 23.623 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -31.840 13.056 23.003 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -30.001 12.631 24.712 1.00 0.00 H new TER 1706 HIS A 111