USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 898 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 53 THR OG1 : rot -141:sc= -0.383 USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.0515 USER MOD Set 1.3: A 61 SER OG : rot 180:sc= 0.0324 USER MOD Set 2.1: A 38 LYS NZ :NH3+ -122:sc= 0.14 (180deg=0) USER MOD Set 2.2: A 86 CYS SG : rot 96:sc= 0.315 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.075) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.035) USER MOD Single : A 8 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.38) USER MOD Single : A 9 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.044) USER MOD Single : A 10 HIS : no HD1:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.041 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.348 F(o=-1,f=-0.35) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -150:sc=-0.00914 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.175) USER MOD Single : A 78 GLN : amide:sc= -5.35! C(o=-5.3!,f=-8.1!) USER MOD Single : A 80 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.021) USER MOD Single : A 84 ASN : amide:sc= -3.98 K(o=-4,f=-6.6!) USER MOD Single : A 93 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.4!) USER MOD Single : A 99 GLN : amide:sc= -0.596 K(o=-0.6,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.225) USER MOD Single : A 101 THR OG1 : rot -140:sc= -0.298 USER MOD Single : A 103 THR OG1 : rot 177:sc= -0.759 USER MOD Single : A 106 GLN : amide:sc= -0.897 K(o=-0.9,f=-4!) USER MOD Single : A 108 THR OG1 : rot 96:sc= 1.2 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.355 25.803 35.210 1.00 0.00 N ATOM 2 CA MET A 1 8.199 24.508 34.497 1.00 0.00 C ATOM 3 C MET A 1 6.804 23.927 34.708 1.00 0.00 C ATOM 4 O MET A 1 6.574 23.168 35.649 1.00 0.00 O ATOM 5 CB MET A 1 9.259 23.535 35.015 1.00 0.00 C ATOM 6 CG MET A 1 9.822 22.620 33.939 1.00 0.00 C ATOM 7 SD MET A 1 10.597 21.142 34.622 1.00 0.00 S ATOM 8 CE MET A 1 11.892 21.871 35.622 1.00 0.00 C ATOM 0 H1 MET A 1 9.313 26.175 35.049 1.00 0.00 H new ATOM 0 H2 MET A 1 7.655 26.483 34.852 1.00 0.00 H new ATOM 0 H3 MET A 1 8.207 25.658 36.229 1.00 0.00 H new ATOM 0 HA MET A 1 8.329 24.671 33.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.075 24.103 35.461 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.825 22.926 35.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.020 22.326 33.262 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.554 23.169 33.347 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.558 21.087 35.982 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.459 22.582 35.021 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.448 22.388 36.472 1.00 0.00 H new ATOM 20 N LYS A 2 5.877 24.291 33.828 1.00 0.00 N ATOM 21 CA LYS A 2 4.505 23.806 33.917 1.00 0.00 C ATOM 22 C LYS A 2 4.107 23.063 32.647 1.00 0.00 C ATOM 23 O LYS A 2 4.631 23.335 31.567 1.00 0.00 O ATOM 24 CB LYS A 2 3.545 24.972 34.162 1.00 0.00 C ATOM 25 CG LYS A 2 3.397 25.340 35.630 1.00 0.00 C ATOM 26 CD LYS A 2 2.110 26.109 35.884 1.00 0.00 C ATOM 27 CE LYS A 2 2.313 27.210 36.911 1.00 0.00 C ATOM 28 NZ LYS A 2 1.354 28.333 36.719 1.00 0.00 N ATOM 0 H LYS A 2 6.051 24.921 33.045 1.00 0.00 H new ATOM 0 HA LYS A 2 4.445 23.112 34.756 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.898 25.844 33.611 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.565 24.716 33.760 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.407 24.434 36.236 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.250 25.942 35.943 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.754 26.543 34.950 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.338 25.423 36.232 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.194 26.798 37.913 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.333 27.588 36.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.526 29.063 37.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.485 28.743 35.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.381 27.978 36.811 1.00 0.00 H new ATOM 42 N GLY A 3 3.176 22.123 32.784 1.00 0.00 N ATOM 43 CA GLY A 3 2.724 21.355 31.640 1.00 0.00 C ATOM 44 C GLY A 3 1.240 21.053 31.694 1.00 0.00 C ATOM 45 O GLY A 3 0.765 20.403 32.625 1.00 0.00 O ATOM 0 H GLY A 3 2.727 21.880 33.667 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.946 21.906 30.726 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.281 20.419 31.592 1.00 0.00 H new ATOM 49 N SER A 4 0.505 21.525 30.692 1.00 0.00 N ATOM 50 CA SER A 4 -0.935 21.301 30.630 1.00 0.00 C ATOM 51 C SER A 4 -1.278 20.245 29.583 1.00 0.00 C ATOM 52 O SER A 4 -1.870 19.214 29.899 1.00 0.00 O ATOM 53 CB SER A 4 -1.662 22.609 30.308 1.00 0.00 C ATOM 54 OG SER A 4 -0.962 23.724 30.832 1.00 0.00 O ATOM 0 H SER A 4 0.882 22.064 29.913 1.00 0.00 H new ATOM 0 HA SER A 4 -1.263 20.940 31.605 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.765 22.715 29.228 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.670 22.580 30.723 1.00 0.00 H new ATOM 0 HG SER A 4 -1.446 24.547 30.611 1.00 0.00 H new ATOM 60 N SER A 5 -0.900 20.511 28.337 1.00 0.00 N ATOM 61 CA SER A 5 -1.167 19.584 27.244 1.00 0.00 C ATOM 62 C SER A 5 -0.390 19.979 25.993 1.00 0.00 C ATOM 63 O SER A 5 -0.552 21.083 25.472 1.00 0.00 O ATOM 64 CB SER A 5 -2.664 19.543 26.936 1.00 0.00 C ATOM 65 OG SER A 5 -2.945 18.635 25.884 1.00 0.00 O ATOM 0 H SER A 5 -0.408 21.360 28.059 1.00 0.00 H new ATOM 0 HA SER A 5 -0.840 18.592 27.555 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.214 19.250 27.830 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.009 20.540 26.662 1.00 0.00 H new ATOM 0 HG SER A 5 -3.909 18.626 25.708 1.00 0.00 H new ATOM 71 N HIS A 6 0.455 19.071 25.515 1.00 0.00 N ATOM 72 CA HIS A 6 1.258 19.325 24.324 1.00 0.00 C ATOM 73 C HIS A 6 0.811 18.438 23.167 1.00 0.00 C ATOM 74 O HIS A 6 1.433 17.414 22.881 1.00 0.00 O ATOM 75 CB HIS A 6 2.739 19.087 24.622 1.00 0.00 C ATOM 76 CG HIS A 6 3.465 20.316 25.074 1.00 0.00 C ATOM 77 ND1 HIS A 6 3.395 20.799 26.365 1.00 0.00 N ATOM 78 CD2 HIS A 6 4.280 21.162 24.401 1.00 0.00 C ATOM 79 CE1 HIS A 6 4.135 21.890 26.465 1.00 0.00 C ATOM 80 NE2 HIS A 6 4.682 22.131 25.288 1.00 0.00 N ATOM 0 H HIS A 6 0.601 18.153 25.934 1.00 0.00 H new ATOM 0 HA HIS A 6 1.115 20.366 24.035 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.827 18.320 25.391 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.223 18.698 23.726 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.562 21.089 23.361 1.00 0.00 H new ATOM 0 HE1 HIS A 6 4.269 22.483 27.358 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.303 22.911 25.072 1.00 0.00 H new ATOM 89 N HIS A 7 -0.269 18.837 22.504 1.00 0.00 N ATOM 90 CA HIS A 7 -0.799 18.079 21.378 1.00 0.00 C ATOM 91 C HIS A 7 -0.057 18.426 20.092 1.00 0.00 C ATOM 92 O HIS A 7 0.126 17.575 19.221 1.00 0.00 O ATOM 93 CB HIS A 7 -2.295 18.354 21.209 1.00 0.00 C ATOM 94 CG HIS A 7 -3.169 17.380 21.935 1.00 0.00 C ATOM 95 ND1 HIS A 7 -4.535 17.315 21.755 1.00 0.00 N ATOM 96 CD2 HIS A 7 -2.866 16.425 22.846 1.00 0.00 C ATOM 97 CE1 HIS A 7 -5.034 16.363 22.525 1.00 0.00 C ATOM 98 NE2 HIS A 7 -4.042 15.808 23.196 1.00 0.00 N ATOM 0 H HIS A 7 -0.795 19.682 22.728 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.654 17.019 21.585 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.513 19.361 21.565 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.543 18.331 20.148 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.883 16.192 23.227 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.076 16.087 22.593 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.134 15.044 23.866 1.00 0.00 H new ATOM 107 N HIS A 8 0.368 19.680 19.980 1.00 0.00 N ATOM 108 CA HIS A 8 1.091 20.139 18.799 1.00 0.00 C ATOM 109 C HIS A 8 0.240 19.980 17.544 1.00 0.00 C ATOM 110 O HIS A 8 0.163 18.896 16.967 1.00 0.00 O ATOM 111 CB HIS A 8 2.401 19.364 18.644 1.00 0.00 C ATOM 112 CG HIS A 8 3.541 20.206 18.161 1.00 0.00 C ATOM 113 ND1 HIS A 8 3.755 21.499 18.589 1.00 0.00 N ATOM 114 CD2 HIS A 8 4.533 19.933 17.282 1.00 0.00 C ATOM 115 CE1 HIS A 8 4.831 21.985 17.993 1.00 0.00 C ATOM 116 NE2 HIS A 8 5.320 21.054 17.195 1.00 0.00 N ATOM 0 H HIS A 8 0.225 20.396 20.692 1.00 0.00 H new ATOM 0 HA HIS A 8 1.317 21.197 18.930 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.668 18.922 19.604 1.00 0.00 H new ATOM 0 HB3 HIS A 8 2.246 18.541 17.946 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.678 19.005 16.748 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.240 22.975 18.135 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.149 21.152 16.609 1.00 0.00 H new ATOM 125 N HIS A 9 -0.397 21.068 17.125 1.00 0.00 N ATOM 126 CA HIS A 9 -1.243 21.050 15.937 1.00 0.00 C ATOM 127 C HIS A 9 -1.465 22.462 15.405 1.00 0.00 C ATOM 128 O HIS A 9 -2.331 23.190 15.891 1.00 0.00 O ATOM 129 CB HIS A 9 -2.588 20.395 16.254 1.00 0.00 C ATOM 130 CG HIS A 9 -3.379 20.032 15.036 1.00 0.00 C ATOM 131 ND1 HIS A 9 -3.852 18.759 14.796 1.00 0.00 N ATOM 132 CD2 HIS A 9 -3.779 20.784 13.982 1.00 0.00 C ATOM 133 CE1 HIS A 9 -4.509 18.743 13.650 1.00 0.00 C ATOM 134 NE2 HIS A 9 -4.480 19.959 13.137 1.00 0.00 N ATOM 0 H HIS A 9 -0.344 21.974 17.591 1.00 0.00 H new ATOM 0 HA HIS A 9 -0.735 20.468 15.168 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -2.415 19.496 16.846 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.177 21.074 16.871 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.583 21.836 13.834 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.988 17.882 13.208 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.909 20.240 12.255 1.00 0.00 H new ATOM 143 N HIS A 10 -0.678 22.842 14.404 1.00 0.00 N ATOM 144 CA HIS A 10 -0.789 24.168 13.806 1.00 0.00 C ATOM 145 C HIS A 10 -0.808 24.077 12.284 1.00 0.00 C ATOM 146 O HIS A 10 -0.885 22.987 11.717 1.00 0.00 O ATOM 147 CB HIS A 10 0.371 25.056 14.265 1.00 0.00 C ATOM 148 CG HIS A 10 -0.061 26.416 14.718 1.00 0.00 C ATOM 149 ND1 HIS A 10 -1.216 27.025 14.276 1.00 0.00 N ATOM 150 CD2 HIS A 10 0.513 27.286 15.582 1.00 0.00 C ATOM 151 CE1 HIS A 10 -1.332 28.211 14.847 1.00 0.00 C ATOM 152 NE2 HIS A 10 -0.296 28.393 15.643 1.00 0.00 N ATOM 0 H HIS A 10 0.043 22.251 13.990 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.728 24.612 14.136 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.897 24.560 15.081 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.082 25.163 13.446 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.436 27.137 16.123 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.138 28.912 14.689 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.124 29.222 16.212 1.00 0.00 H new ATOM 161 N HIS A 11 -0.735 25.230 11.626 1.00 0.00 N ATOM 162 CA HIS A 11 -0.743 25.281 10.169 1.00 0.00 C ATOM 163 C HIS A 11 -0.246 26.633 9.669 1.00 0.00 C ATOM 164 O HIS A 11 0.619 26.705 8.796 1.00 0.00 O ATOM 165 CB HIS A 11 -2.153 25.009 9.638 1.00 0.00 C ATOM 166 CG HIS A 11 -2.244 23.782 8.783 1.00 0.00 C ATOM 167 ND1 HIS A 11 -1.503 23.608 7.633 1.00 0.00 N ATOM 168 CD2 HIS A 11 -2.995 22.663 8.917 1.00 0.00 C ATOM 169 CE1 HIS A 11 -1.795 22.438 7.096 1.00 0.00 C ATOM 170 NE2 HIS A 11 -2.696 21.844 7.855 1.00 0.00 N ATOM 0 H HIS A 11 -0.670 26.141 12.079 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.068 24.510 9.798 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.836 24.906 10.481 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.487 25.870 9.060 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.697 22.454 9.710 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.369 22.035 6.189 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.104 20.926 7.682 1.00 0.00 H new ATOM 179 N SER A 12 -0.801 27.705 10.227 1.00 0.00 N ATOM 180 CA SER A 12 -0.414 29.056 9.837 1.00 0.00 C ATOM 181 C SER A 12 -0.696 29.297 8.358 1.00 0.00 C ATOM 182 O SER A 12 0.062 29.988 7.676 1.00 0.00 O ATOM 183 CB SER A 12 1.069 29.289 10.131 1.00 0.00 C ATOM 184 OG SER A 12 1.504 28.498 11.224 1.00 0.00 O ATOM 0 H SER A 12 -1.519 27.664 10.950 1.00 0.00 H new ATOM 0 HA SER A 12 -1.007 29.760 10.420 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.660 29.049 9.247 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.238 30.343 10.351 1.00 0.00 H new ATOM 0 HG SER A 12 2.455 28.664 11.390 1.00 0.00 H new ATOM 190 N SER A 13 -1.790 28.723 7.868 1.00 0.00 N ATOM 191 CA SER A 13 -2.172 28.876 6.469 1.00 0.00 C ATOM 192 C SER A 13 -3.641 29.266 6.345 1.00 0.00 C ATOM 193 O SER A 13 -4.499 28.723 7.042 1.00 0.00 O ATOM 194 CB SER A 13 -1.911 27.578 5.703 1.00 0.00 C ATOM 195 OG SER A 13 -0.599 27.556 5.167 1.00 0.00 O ATOM 0 H SER A 13 -2.427 28.148 8.419 1.00 0.00 H new ATOM 0 HA SER A 13 -1.566 29.673 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.050 26.726 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.638 27.475 4.897 1.00 0.00 H new ATOM 0 HG SER A 13 -0.457 26.715 4.684 1.00 0.00 H new ATOM 201 N GLY A 14 -3.925 30.211 5.455 1.00 0.00 N ATOM 202 CA GLY A 14 -5.291 30.657 5.257 1.00 0.00 C ATOM 203 C GLY A 14 -5.458 31.468 3.986 1.00 0.00 C ATOM 204 O GLY A 14 -5.436 30.919 2.884 1.00 0.00 O ATOM 0 H GLY A 14 -3.233 30.676 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.951 29.790 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.601 31.258 6.112 1.00 0.00 H new ATOM 208 N ALA A 15 -5.626 32.777 4.140 1.00 0.00 N ATOM 209 CA ALA A 15 -5.798 33.665 2.997 1.00 0.00 C ATOM 210 C ALA A 15 -4.484 34.346 2.629 1.00 0.00 C ATOM 211 O ALA A 15 -4.471 35.495 2.191 1.00 0.00 O ATOM 212 CB ALA A 15 -6.867 34.705 3.293 1.00 0.00 C ATOM 0 H ALA A 15 -5.647 33.246 5.045 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.117 33.063 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.985 35.361 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.813 34.205 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.570 35.295 4.160 1.00 0.00 H new ATOM 218 N SER A 16 -3.381 33.627 2.808 1.00 0.00 N ATOM 219 CA SER A 16 -2.060 34.162 2.494 1.00 0.00 C ATOM 220 C SER A 16 -1.079 33.038 2.180 1.00 0.00 C ATOM 221 O SER A 16 -0.339 33.103 1.198 1.00 0.00 O ATOM 222 CB SER A 16 -1.537 35.001 3.662 1.00 0.00 C ATOM 223 OG SER A 16 -1.548 34.259 4.868 1.00 0.00 O ATOM 0 H SER A 16 -3.375 32.673 3.169 1.00 0.00 H new ATOM 0 HA SER A 16 -2.151 34.796 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.522 35.337 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.151 35.894 3.776 1.00 0.00 H new ATOM 0 HG SER A 16 -1.208 34.817 5.598 1.00 0.00 H new ATOM 229 N LEU A 17 -1.077 32.008 3.020 1.00 0.00 N ATOM 230 CA LEU A 17 -0.186 30.869 2.832 1.00 0.00 C ATOM 231 C LEU A 17 -0.982 29.582 2.635 1.00 0.00 C ATOM 232 O LEU A 17 -2.023 29.383 3.260 1.00 0.00 O ATOM 233 CB LEU A 17 0.751 30.723 4.032 1.00 0.00 C ATOM 234 CG LEU A 17 1.927 31.702 4.056 1.00 0.00 C ATOM 235 CD1 LEU A 17 1.511 33.021 4.688 1.00 0.00 C ATOM 236 CD2 LEU A 17 3.105 31.098 4.807 1.00 0.00 C ATOM 0 H LEU A 17 -1.683 31.939 3.838 1.00 0.00 H new ATOM 0 HA LEU A 17 0.408 31.049 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.170 30.853 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.144 29.706 4.046 1.00 0.00 H new ATOM 0 HG LEU A 17 2.235 31.896 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.360 33.704 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.697 33.460 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.177 32.845 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.933 31.807 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.808 30.876 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.419 30.179 4.313 1.00 0.00 H new ATOM 248 N VAL A 18 -0.483 28.712 1.762 1.00 0.00 N ATOM 249 CA VAL A 18 -1.148 27.444 1.483 1.00 0.00 C ATOM 250 C VAL A 18 -0.168 26.278 1.578 1.00 0.00 C ATOM 251 O VAL A 18 1.023 26.434 1.311 1.00 0.00 O ATOM 252 CB VAL A 18 -1.795 27.445 0.087 1.00 0.00 C ATOM 253 CG1 VAL A 18 -2.961 28.421 0.037 1.00 0.00 C ATOM 254 CG2 VAL A 18 -0.763 27.780 -0.981 1.00 0.00 C ATOM 0 H VAL A 18 0.378 28.862 1.236 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.927 27.322 2.235 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.180 26.445 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.405 28.407 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.711 28.130 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.604 29.426 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.239 27.776 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.344 28.767 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.034 27.037 -0.962 1.00 0.00 H new ATOM 264 N PRO A 19 -0.660 25.086 1.959 1.00 0.00 N ATOM 265 CA PRO A 19 0.178 23.890 2.086 1.00 0.00 C ATOM 266 C PRO A 19 0.653 23.369 0.734 1.00 0.00 C ATOM 267 O PRO A 19 0.520 24.047 -0.284 1.00 0.00 O ATOM 268 CB PRO A 19 -0.750 22.874 2.755 1.00 0.00 C ATOM 269 CG PRO A 19 -2.123 23.312 2.380 1.00 0.00 C ATOM 270 CD PRO A 19 -2.070 24.813 2.295 1.00 0.00 C ATOM 0 HA PRO A 19 1.089 24.090 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.548 21.862 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.618 22.869 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.425 22.878 1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.852 22.989 3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.747 25.196 1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.356 25.279 3.238 1.00 0.00 H new ATOM 278 N ARG A 20 1.207 22.161 0.732 1.00 0.00 N ATOM 279 CA ARG A 20 1.702 21.549 -0.495 1.00 0.00 C ATOM 280 C ARG A 20 0.546 21.120 -1.393 1.00 0.00 C ATOM 281 O ARG A 20 0.102 19.973 -1.344 1.00 0.00 O ATOM 282 CB ARG A 20 2.585 20.344 -0.169 1.00 0.00 C ATOM 283 CG ARG A 20 3.627 20.047 -1.234 1.00 0.00 C ATOM 284 CD ARG A 20 4.917 19.526 -0.622 1.00 0.00 C ATOM 285 NE ARG A 20 5.599 20.548 0.169 1.00 0.00 N ATOM 286 CZ ARG A 20 6.204 21.611 -0.355 1.00 0.00 C ATOM 287 NH1 ARG A 20 6.216 21.795 -1.669 1.00 0.00 N ATOM 288 NH2 ARG A 20 6.800 22.492 0.437 1.00 0.00 N ATOM 0 H ARG A 20 1.324 21.587 1.567 1.00 0.00 H new ATOM 0 HA ARG A 20 2.296 22.291 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.089 20.520 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.953 19.466 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.233 19.311 -1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.834 20.952 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.697 18.665 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.580 19.179 -1.414 1.00 0.00 H new ATOM 0 HE ARG A 20 5.612 20.440 1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.760 21.120 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.681 22.612 -2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.795 22.355 1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.264 23.307 0.035 1.00 0.00 H new ATOM 302 N GLY A 21 0.063 22.047 -2.213 1.00 0.00 N ATOM 303 CA GLY A 21 -1.037 21.745 -3.109 1.00 0.00 C ATOM 304 C GLY A 21 -1.677 22.993 -3.685 1.00 0.00 C ATOM 305 O GLY A 21 -1.230 24.108 -3.417 1.00 0.00 O ATOM 0 H GLY A 21 0.414 23.003 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.676 21.117 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.791 21.169 -2.572 1.00 0.00 H new ATOM 309 N SER A 22 -2.726 22.805 -4.478 1.00 0.00 N ATOM 310 CA SER A 22 -3.429 23.925 -5.093 1.00 0.00 C ATOM 311 C SER A 22 -4.735 24.218 -4.360 1.00 0.00 C ATOM 312 O SER A 22 -4.879 25.258 -3.718 1.00 0.00 O ATOM 313 CB SER A 22 -3.713 23.629 -6.567 1.00 0.00 C ATOM 314 OG SER A 22 -4.232 24.771 -7.226 1.00 0.00 O ATOM 0 H SER A 22 -3.108 21.888 -4.710 1.00 0.00 H new ATOM 0 HA SER A 22 -2.789 24.805 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.796 23.307 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.423 22.806 -6.646 1.00 0.00 H new ATOM 0 HG SER A 22 -4.403 24.556 -8.167 1.00 0.00 H new ATOM 320 N GLU A 23 -5.682 23.292 -4.460 1.00 0.00 N ATOM 321 CA GLU A 23 -6.977 23.449 -3.807 1.00 0.00 C ATOM 322 C GLU A 23 -7.396 22.160 -3.110 1.00 0.00 C ATOM 323 O GLU A 23 -8.584 21.856 -3.004 1.00 0.00 O ATOM 324 CB GLU A 23 -8.040 23.860 -4.828 1.00 0.00 C ATOM 325 CG GLU A 23 -9.081 24.818 -4.270 1.00 0.00 C ATOM 326 CD GLU A 23 -9.454 25.909 -5.254 1.00 0.00 C ATOM 327 OE1 GLU A 23 -8.796 26.972 -5.240 1.00 0.00 O ATOM 328 OE2 GLU A 23 -10.404 25.704 -6.038 1.00 0.00 O ATOM 0 H GLU A 23 -5.578 22.425 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.883 24.232 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.550 24.327 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.542 22.966 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.976 24.258 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.698 25.273 -3.356 1.00 0.00 H new ATOM 335 N GLY A 24 -6.412 21.402 -2.637 1.00 0.00 N ATOM 336 CA GLY A 24 -6.698 20.153 -1.955 1.00 0.00 C ATOM 337 C GLY A 24 -6.518 18.948 -2.856 1.00 0.00 C ATOM 338 O GLY A 24 -7.017 18.925 -3.981 1.00 0.00 O ATOM 0 H GLY A 24 -5.421 21.631 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.043 20.057 -1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.721 20.173 -1.580 1.00 0.00 H new ATOM 342 N ALA A 25 -5.804 17.943 -2.360 1.00 0.00 N ATOM 343 CA ALA A 25 -5.559 16.727 -3.127 1.00 0.00 C ATOM 344 C ALA A 25 -6.829 15.893 -3.254 1.00 0.00 C ATOM 345 O ALA A 25 -7.274 15.586 -4.360 1.00 0.00 O ATOM 346 CB ALA A 25 -4.451 15.911 -2.481 1.00 0.00 C ATOM 0 H ALA A 25 -5.385 17.947 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.244 17.016 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.278 15.006 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.536 16.502 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.743 15.639 -1.467 1.00 0.00 H new ATOM 352 N ALA A 26 -7.408 15.529 -2.114 1.00 0.00 N ATOM 353 CA ALA A 26 -8.627 14.730 -2.097 1.00 0.00 C ATOM 354 C ALA A 26 -9.763 15.449 -2.818 1.00 0.00 C ATOM 355 O ALA A 26 -9.527 16.375 -3.594 1.00 0.00 O ATOM 356 CB ALA A 26 -9.022 14.402 -0.664 1.00 0.00 C ATOM 0 H ALA A 26 -7.052 15.775 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.432 13.798 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.934 13.805 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.221 13.839 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.195 15.327 -0.113 1.00 0.00 H new ATOM 362 N THR A 27 -10.995 15.011 -2.569 1.00 0.00 N ATOM 363 CA THR A 27 -12.158 15.614 -3.210 1.00 0.00 C ATOM 364 C THR A 27 -12.076 15.454 -4.726 1.00 0.00 C ATOM 365 O THR A 27 -12.734 16.177 -5.474 1.00 0.00 O ATOM 366 CB THR A 27 -12.254 17.095 -2.848 1.00 0.00 C ATOM 367 OG1 THR A 27 -12.153 17.277 -1.448 1.00 0.00 O ATOM 368 CG2 THR A 27 -13.545 17.741 -3.305 1.00 0.00 C ATOM 0 H THR A 27 -11.212 14.245 -1.931 1.00 0.00 H new ATOM 0 HA THR A 27 -13.051 15.103 -2.851 1.00 0.00 H new ATOM 0 HB THR A 27 -11.424 17.574 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.215 18.232 -1.237 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.548 18.792 -3.016 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.627 17.662 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.390 17.234 -2.839 1.00 0.00 H new ATOM 376 N MET A 28 -11.257 14.504 -5.167 1.00 0.00 N ATOM 377 CA MET A 28 -11.076 14.241 -6.591 1.00 0.00 C ATOM 378 C MET A 28 -10.034 13.145 -6.809 1.00 0.00 C ATOM 379 O MET A 28 -10.132 12.364 -7.755 1.00 0.00 O ATOM 380 CB MET A 28 -10.652 15.520 -7.320 1.00 0.00 C ATOM 381 CG MET A 28 -11.719 16.070 -8.251 1.00 0.00 C ATOM 382 SD MET A 28 -11.954 15.047 -9.718 1.00 0.00 S ATOM 383 CE MET A 28 -13.737 14.879 -9.729 1.00 0.00 C ATOM 0 H MET A 28 -10.706 13.901 -4.556 1.00 0.00 H new ATOM 0 HA MET A 28 -12.028 13.901 -6.999 1.00 0.00 H new ATOM 0 HB2 MET A 28 -10.397 16.281 -6.583 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.748 15.318 -7.895 1.00 0.00 H new ATOM 0 HG2 MET A 28 -12.663 16.147 -7.711 1.00 0.00 H new ATOM 0 HG3 MET A 28 -11.444 17.079 -8.557 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.040 14.270 -10.581 1.00 0.00 H new ATOM 0 HE2 MET A 28 -14.063 14.400 -8.806 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.195 15.865 -9.807 1.00 0.00 H new ATOM 393 N GLU A 29 -9.037 13.092 -5.927 1.00 0.00 N ATOM 394 CA GLU A 29 -7.983 12.090 -6.029 1.00 0.00 C ATOM 395 C GLU A 29 -7.989 11.167 -4.814 1.00 0.00 C ATOM 396 O GLU A 29 -8.394 11.566 -3.721 1.00 0.00 O ATOM 397 CB GLU A 29 -6.616 12.767 -6.160 1.00 0.00 C ATOM 398 CG GLU A 29 -6.215 13.050 -7.599 1.00 0.00 C ATOM 399 CD GLU A 29 -6.606 14.445 -8.049 1.00 0.00 C ATOM 400 OE1 GLU A 29 -6.141 15.422 -7.426 1.00 0.00 O ATOM 401 OE2 GLU A 29 -7.375 14.559 -9.026 1.00 0.00 O ATOM 0 H GLU A 29 -8.939 13.730 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.172 11.491 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.629 13.704 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.859 12.133 -5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.137 12.927 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.684 12.316 -8.254 1.00 0.00 H new ATOM 408 N LEU A 30 -7.540 9.932 -5.012 1.00 0.00 N ATOM 409 CA LEU A 30 -7.494 8.952 -3.933 1.00 0.00 C ATOM 410 C LEU A 30 -8.888 8.698 -3.369 1.00 0.00 C ATOM 411 O LEU A 30 -9.469 9.561 -2.711 1.00 0.00 O ATOM 412 CB LEU A 30 -6.560 9.431 -2.821 1.00 0.00 C ATOM 413 CG LEU A 30 -5.068 9.308 -3.131 1.00 0.00 C ATOM 414 CD1 LEU A 30 -4.697 10.180 -4.321 1.00 0.00 C ATOM 415 CD2 LEU A 30 -4.237 9.685 -1.913 1.00 0.00 C ATOM 0 H LEU A 30 -7.203 9.586 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.111 8.016 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.785 10.475 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.776 8.863 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.854 8.270 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.631 10.080 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.267 9.865 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.926 11.221 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.178 9.592 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.455 10.714 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.482 9.020 -1.085 1.00 0.00 H new ATOM 427 N SER A 31 -9.420 7.508 -3.631 1.00 0.00 N ATOM 428 CA SER A 31 -10.746 7.140 -3.150 1.00 0.00 C ATOM 429 C SER A 31 -10.689 5.855 -2.329 1.00 0.00 C ATOM 430 O SER A 31 -9.701 5.123 -2.370 1.00 0.00 O ATOM 431 CB SER A 31 -11.708 6.965 -4.327 1.00 0.00 C ATOM 432 OG SER A 31 -11.460 7.928 -5.336 1.00 0.00 O ATOM 0 H SER A 31 -8.952 6.782 -4.174 1.00 0.00 H new ATOM 0 HA SER A 31 -11.109 7.944 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.601 5.963 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.736 7.057 -3.977 1.00 0.00 H new ATOM 0 HG SER A 31 -12.087 7.794 -6.077 1.00 0.00 H new ATOM 438 N ALA A 32 -11.757 5.589 -1.584 1.00 0.00 N ATOM 439 CA ALA A 32 -11.829 4.392 -0.753 1.00 0.00 C ATOM 440 C ALA A 32 -11.770 3.129 -1.604 1.00 0.00 C ATOM 441 O ALA A 32 -10.893 2.286 -1.422 1.00 0.00 O ATOM 442 CB ALA A 32 -13.099 4.409 0.085 1.00 0.00 C ATOM 0 H ALA A 32 -12.583 6.185 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.967 4.389 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.141 3.510 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.099 5.289 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.968 4.439 -0.572 1.00 0.00 H new ATOM 448 N ASP A 33 -12.712 3.004 -2.535 1.00 0.00 N ATOM 449 CA ASP A 33 -12.767 1.843 -3.415 1.00 0.00 C ATOM 450 C ASP A 33 -11.494 1.730 -4.248 1.00 0.00 C ATOM 451 O ASP A 33 -11.071 0.631 -4.605 1.00 0.00 O ATOM 452 CB ASP A 33 -13.989 1.934 -4.334 1.00 0.00 C ATOM 453 CG ASP A 33 -15.109 1.010 -3.899 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.789 1.330 -2.901 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.306 -0.034 -4.555 1.00 0.00 O ATOM 0 H ASP A 33 -13.447 3.692 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.852 0.950 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.354 2.961 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.693 1.687 -5.353 1.00 0.00 H new ATOM 460 N TYR A 34 -10.888 2.872 -4.553 1.00 0.00 N ATOM 461 CA TYR A 34 -9.663 2.901 -5.343 1.00 0.00 C ATOM 462 C TYR A 34 -8.551 2.115 -4.655 1.00 0.00 C ATOM 463 O TYR A 34 -7.955 1.216 -5.246 1.00 0.00 O ATOM 464 CB TYR A 34 -9.215 4.345 -5.574 1.00 0.00 C ATOM 465 CG TYR A 34 -7.967 4.465 -6.421 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.935 3.967 -7.717 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.823 5.076 -5.923 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.796 4.075 -8.494 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.681 5.187 -6.694 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.673 4.685 -7.977 1.00 0.00 C ATOM 471 OH TYR A 34 -4.539 4.794 -8.748 1.00 0.00 O ATOM 0 H TYR A 34 -11.225 3.790 -4.265 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.871 2.433 -6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.024 4.895 -6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.036 4.820 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.813 3.488 -8.124 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.826 5.470 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.786 3.684 -9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.800 5.665 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.838 5.250 -8.237 1.00 0.00 H new ATOM 481 N LEU A 35 -8.278 2.462 -3.401 1.00 0.00 N ATOM 482 CA LEU A 35 -7.237 1.790 -2.632 1.00 0.00 C ATOM 483 C LEU A 35 -7.644 0.358 -2.300 1.00 0.00 C ATOM 484 O LEU A 35 -6.798 -0.530 -2.194 1.00 0.00 O ATOM 485 CB LEU A 35 -6.947 2.561 -1.344 1.00 0.00 C ATOM 486 CG LEU A 35 -6.719 4.063 -1.524 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.705 4.768 -0.177 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.421 4.317 -2.276 1.00 0.00 C ATOM 0 H LEU A 35 -8.763 3.204 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.333 1.760 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.780 2.416 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.065 2.129 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.542 4.468 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.542 5.835 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.661 4.614 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.903 4.361 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.274 5.390 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.587 3.897 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.471 3.846 -3.258 1.00 0.00 H new ATOM 500 N ARG A 36 -8.945 0.141 -2.136 1.00 0.00 N ATOM 501 CA ARG A 36 -9.465 -1.184 -1.815 1.00 0.00 C ATOM 502 C ARG A 36 -9.342 -2.123 -3.012 1.00 0.00 C ATOM 503 O ARG A 36 -8.810 -3.225 -2.896 1.00 0.00 O ATOM 504 CB ARG A 36 -10.927 -1.087 -1.376 1.00 0.00 C ATOM 505 CG ARG A 36 -11.391 -2.272 -0.543 1.00 0.00 C ATOM 506 CD ARG A 36 -12.907 -2.398 -0.552 1.00 0.00 C ATOM 507 NE ARG A 36 -13.369 -3.367 -1.542 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.645 -3.511 -1.900 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.584 -2.750 -1.351 1.00 0.00 N ATOM 510 NH2 ARG A 36 -14.979 -4.417 -2.808 1.00 0.00 N ATOM 0 H ARG A 36 -9.658 0.865 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.872 -1.591 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.065 -0.172 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.559 -1.005 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.946 -3.188 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.040 -2.157 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.252 -2.698 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.351 -1.425 -0.763 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.675 -3.969 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.330 -2.052 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.559 -2.864 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.260 -5.003 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.955 -4.528 -3.083 1.00 0.00 H new ATOM 524 N GLU A 37 -9.840 -1.676 -4.161 1.00 0.00 N ATOM 525 CA GLU A 37 -9.786 -2.476 -5.379 1.00 0.00 C ATOM 526 C GLU A 37 -8.343 -2.729 -5.803 1.00 0.00 C ATOM 527 O GLU A 37 -8.016 -3.799 -6.316 1.00 0.00 O ATOM 528 CB GLU A 37 -10.547 -1.776 -6.507 1.00 0.00 C ATOM 529 CG GLU A 37 -12.053 -1.771 -6.313 1.00 0.00 C ATOM 530 CD GLU A 37 -12.759 -0.803 -7.243 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.758 0.411 -6.949 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.310 -1.259 -8.267 1.00 0.00 O ATOM 0 H GLU A 37 -10.285 -0.765 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.257 -3.437 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.196 -0.747 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.312 -2.267 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.440 -2.776 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.281 -1.508 -5.280 1.00 0.00 H new ATOM 539 N LYS A 38 -7.485 -1.738 -5.587 1.00 0.00 N ATOM 540 CA LYS A 38 -6.077 -1.854 -5.949 1.00 0.00 C ATOM 541 C LYS A 38 -5.418 -3.015 -5.210 1.00 0.00 C ATOM 542 O LYS A 38 -4.909 -3.949 -5.831 1.00 0.00 O ATOM 543 CB LYS A 38 -5.340 -0.551 -5.635 1.00 0.00 C ATOM 544 CG LYS A 38 -4.073 -0.356 -6.451 1.00 0.00 C ATOM 545 CD LYS A 38 -3.323 0.896 -6.029 1.00 0.00 C ATOM 546 CE LYS A 38 -2.552 1.502 -7.190 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.224 0.854 -7.374 1.00 0.00 N ATOM 0 H LYS A 38 -7.740 -0.846 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.018 -2.049 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.011 0.289 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.086 -0.534 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.426 -1.225 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.327 -0.289 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.028 1.629 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.634 0.653 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.135 1.401 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.414 2.569 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.475 1.572 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.085 0.133 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.184 0.404 -8.311 1.00 0.00 H new ATOM 561 N LEU A 39 -5.431 -2.950 -3.883 1.00 0.00 N ATOM 562 CA LEU A 39 -4.834 -3.995 -3.060 1.00 0.00 C ATOM 563 C LEU A 39 -5.560 -5.323 -3.256 1.00 0.00 C ATOM 564 O LEU A 39 -4.960 -6.392 -3.148 1.00 0.00 O ATOM 565 CB LEU A 39 -4.870 -3.595 -1.584 1.00 0.00 C ATOM 566 CG LEU A 39 -4.219 -2.249 -1.263 1.00 0.00 C ATOM 567 CD1 LEU A 39 -4.621 -1.780 0.127 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.706 -2.348 -1.377 1.00 0.00 C ATOM 0 H LEU A 39 -5.849 -2.184 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.796 -4.118 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.909 -3.566 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.373 -4.370 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.571 -1.515 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.148 -0.821 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.704 -1.669 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.299 -2.514 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.260 -1.381 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.336 -3.096 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.436 -2.638 -2.392 1.00 0.00 H new ATOM 580 N ARG A 40 -6.855 -5.246 -3.545 1.00 0.00 N ATOM 581 CA ARG A 40 -7.663 -6.441 -3.757 1.00 0.00 C ATOM 582 C ARG A 40 -7.127 -7.268 -4.910 1.00 0.00 C ATOM 583 O ARG A 40 -6.850 -8.457 -4.761 1.00 0.00 O ATOM 584 CB ARG A 40 -9.122 -6.059 -4.020 1.00 0.00 C ATOM 585 CG ARG A 40 -10.076 -7.241 -3.988 1.00 0.00 C ATOM 586 CD ARG A 40 -10.374 -7.755 -5.388 1.00 0.00 C ATOM 587 NE ARG A 40 -11.365 -6.931 -6.074 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.052 -7.331 -7.141 1.00 0.00 C ATOM 589 NH1 ARG A 40 -11.858 -8.542 -7.648 1.00 0.00 N ATOM 590 NH2 ARG A 40 -12.935 -6.519 -7.705 1.00 0.00 N ATOM 0 H ARG A 40 -7.367 -4.369 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.611 -7.045 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.437 -5.328 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.192 -5.573 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.644 -8.043 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.006 -6.946 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.453 -7.775 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.735 -8.782 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.541 -5.993 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.179 -9.172 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.388 -8.843 -8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.088 -5.587 -7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.461 -6.827 -8.523 1.00 0.00 H new ATOM 604 N GLN A 41 -6.985 -6.635 -6.062 1.00 0.00 N ATOM 605 CA GLN A 41 -6.485 -7.322 -7.239 1.00 0.00 C ATOM 606 C GLN A 41 -4.978 -7.545 -7.147 1.00 0.00 C ATOM 607 O GLN A 41 -4.451 -8.516 -7.691 1.00 0.00 O ATOM 608 CB GLN A 41 -6.824 -6.534 -8.506 1.00 0.00 C ATOM 609 CG GLN A 41 -6.285 -5.113 -8.499 1.00 0.00 C ATOM 610 CD GLN A 41 -5.694 -4.709 -9.836 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.420 -4.462 -10.800 1.00 0.00 O ATOM 612 NE2 GLN A 41 -4.369 -4.638 -9.902 1.00 0.00 N ATOM 0 H GLN A 41 -7.208 -5.650 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.972 -8.296 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.423 -7.062 -9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.907 -6.503 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.089 -4.424 -8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.522 -5.021 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.805 -4.851 -9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.915 -4.370 -10.776 1.00 0.00 H new ATOM 621 N ASP A 42 -4.290 -6.642 -6.456 1.00 0.00 N ATOM 622 CA ASP A 42 -2.843 -6.742 -6.295 1.00 0.00 C ATOM 623 C ASP A 42 -2.459 -8.059 -5.628 1.00 0.00 C ATOM 624 O ASP A 42 -1.624 -8.805 -6.141 1.00 0.00 O ATOM 625 CB ASP A 42 -2.320 -5.566 -5.467 1.00 0.00 C ATOM 626 CG ASP A 42 -0.815 -5.410 -5.573 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.093 -6.086 -4.811 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.359 -4.612 -6.419 1.00 0.00 O ATOM 0 H ASP A 42 -4.710 -5.833 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.389 -6.712 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.802 -4.647 -5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.595 -5.710 -4.422 1.00 0.00 H new ATOM 633 N LEU A 43 -3.071 -8.338 -4.483 1.00 0.00 N ATOM 634 CA LEU A 43 -2.793 -9.565 -3.745 1.00 0.00 C ATOM 635 C LEU A 43 -3.860 -10.627 -4.009 1.00 0.00 C ATOM 636 O LEU A 43 -3.689 -11.791 -3.648 1.00 0.00 O ATOM 637 CB LEU A 43 -2.710 -9.273 -2.246 1.00 0.00 C ATOM 638 CG LEU A 43 -1.505 -8.435 -1.815 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.710 -7.887 -0.412 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.229 -9.263 -1.884 1.00 0.00 C ATOM 0 H LEU A 43 -3.764 -7.731 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.835 -9.952 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.620 -8.756 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.686 -10.220 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.408 -7.593 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.843 -7.294 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.601 -7.260 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.833 -8.714 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.619 -8.652 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.317 -10.124 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.074 -9.607 -2.906 1.00 0.00 H new ATOM 652 N GLU A 44 -4.962 -10.222 -4.636 1.00 0.00 N ATOM 653 CA GLU A 44 -6.049 -11.144 -4.941 1.00 0.00 C ATOM 654 C GLU A 44 -6.641 -11.727 -3.661 1.00 0.00 C ATOM 655 O GLU A 44 -6.547 -12.929 -3.411 1.00 0.00 O ATOM 656 CB GLU A 44 -5.553 -12.270 -5.851 1.00 0.00 C ATOM 657 CG GLU A 44 -5.604 -11.923 -7.330 1.00 0.00 C ATOM 658 CD GLU A 44 -5.389 -13.132 -8.219 1.00 0.00 C ATOM 659 OE1 GLU A 44 -6.279 -14.008 -8.257 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.331 -13.204 -8.879 1.00 0.00 O ATOM 0 H GLU A 44 -5.124 -9.262 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.830 -10.588 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.527 -12.520 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.155 -13.161 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.570 -11.474 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.843 -11.174 -7.550 1.00 0.00 H new ATOM 667 N ALA A 45 -7.250 -10.865 -2.852 1.00 0.00 N ATOM 668 CA ALA A 45 -7.856 -11.291 -1.597 1.00 0.00 C ATOM 669 C ALA A 45 -9.264 -11.831 -1.822 1.00 0.00 C ATOM 670 O ALA A 45 -9.831 -11.682 -2.904 1.00 0.00 O ATOM 671 CB ALA A 45 -7.883 -10.137 -0.606 1.00 0.00 C ATOM 0 H ALA A 45 -7.336 -9.867 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.249 -12.096 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.338 -10.469 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.865 -9.799 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.465 -9.314 -1.021 1.00 0.00 H new ATOM 677 N GLU A 46 -9.824 -12.456 -0.792 1.00 0.00 N ATOM 678 CA GLU A 46 -11.168 -13.018 -0.876 1.00 0.00 C ATOM 679 C GLU A 46 -12.219 -11.962 -0.549 1.00 0.00 C ATOM 680 O GLU A 46 -13.074 -11.646 -1.376 1.00 0.00 O ATOM 681 CB GLU A 46 -11.307 -14.206 0.076 1.00 0.00 C ATOM 682 CG GLU A 46 -10.846 -15.524 -0.524 1.00 0.00 C ATOM 683 CD GLU A 46 -11.607 -16.714 0.026 1.00 0.00 C ATOM 684 OE1 GLU A 46 -12.726 -16.515 0.545 1.00 0.00 O ATOM 685 OE2 GLU A 46 -11.083 -17.845 -0.058 1.00 0.00 O ATOM 0 H GLU A 46 -9.368 -12.586 0.111 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.329 -13.361 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.731 -14.006 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.350 -14.299 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.968 -15.488 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.782 -15.656 -0.327 1.00 0.00 H new ATOM 692 N HIS A 47 -12.150 -11.422 0.663 1.00 0.00 N ATOM 693 CA HIS A 47 -13.095 -10.402 1.101 1.00 0.00 C ATOM 694 C HIS A 47 -12.363 -9.151 1.575 1.00 0.00 C ATOM 695 O HIS A 47 -11.425 -9.231 2.368 1.00 0.00 O ATOM 696 CB HIS A 47 -13.981 -10.946 2.224 1.00 0.00 C ATOM 697 CG HIS A 47 -15.240 -11.590 1.734 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.261 -12.812 1.095 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.528 -11.174 1.790 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.506 -13.121 0.781 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.294 -12.145 1.192 1.00 0.00 N ATOM 0 H HIS A 47 -11.449 -11.674 1.360 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.722 -10.134 0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.413 -11.673 2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.239 -10.130 2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.886 -10.252 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -16.825 -14.020 0.274 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.308 -12.116 1.083 1.00 0.00 H new ATOM 710 N VAL A 48 -12.799 -7.994 1.085 1.00 0.00 N ATOM 711 CA VAL A 48 -12.185 -6.726 1.458 1.00 0.00 C ATOM 712 C VAL A 48 -13.242 -5.660 1.723 1.00 0.00 C ATOM 713 O VAL A 48 -14.273 -5.614 1.051 1.00 0.00 O ATOM 714 CB VAL A 48 -11.226 -6.222 0.364 1.00 0.00 C ATOM 715 CG1 VAL A 48 -10.017 -7.136 0.249 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.950 -6.112 -0.970 1.00 0.00 C ATOM 0 H VAL A 48 -13.575 -7.910 0.429 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.618 -6.906 2.371 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.874 -5.229 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.351 -6.763 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.486 -7.158 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.345 -8.143 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.257 -5.754 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.332 -7.091 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.780 -5.412 -0.877 1.00 0.00 H new ATOM 726 N GLU A 49 -12.979 -4.803 2.704 1.00 0.00 N ATOM 727 CA GLU A 49 -13.908 -3.737 3.057 1.00 0.00 C ATOM 728 C GLU A 49 -13.163 -2.433 3.326 1.00 0.00 C ATOM 729 O GLU A 49 -12.213 -2.400 4.108 1.00 0.00 O ATOM 730 CB GLU A 49 -14.728 -4.131 4.286 1.00 0.00 C ATOM 731 CG GLU A 49 -15.428 -5.473 4.146 1.00 0.00 C ATOM 732 CD GLU A 49 -16.160 -5.884 5.408 1.00 0.00 C ATOM 733 OE1 GLU A 49 -15.485 -6.189 6.414 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.409 -5.903 5.390 1.00 0.00 O ATOM 0 H GLU A 49 -12.130 -4.826 3.269 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.582 -3.583 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.072 -4.162 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.474 -3.360 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.137 -5.424 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.693 -6.237 3.892 1.00 0.00 H new ATOM 741 N VAL A 50 -13.599 -1.361 2.672 1.00 0.00 N ATOM 742 CA VAL A 50 -12.972 -0.056 2.841 1.00 0.00 C ATOM 743 C VAL A 50 -13.946 0.945 3.455 1.00 0.00 C ATOM 744 O VAL A 50 -15.152 0.881 3.215 1.00 0.00 O ATOM 745 CB VAL A 50 -12.457 0.497 1.497 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.605 0.687 0.517 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.703 1.802 1.707 1.00 0.00 C ATOM 0 H VAL A 50 -14.384 -1.371 2.020 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.126 -0.194 3.515 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.766 -0.230 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.219 1.078 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.094 -0.271 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.326 1.390 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.348 2.176 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.368 2.538 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.852 1.629 2.366 1.00 0.00 H new ATOM 757 N GLU A 51 -13.415 1.870 4.247 1.00 0.00 N ATOM 758 CA GLU A 51 -14.236 2.886 4.895 1.00 0.00 C ATOM 759 C GLU A 51 -13.552 4.247 4.855 1.00 0.00 C ATOM 760 O GLU A 51 -12.344 4.340 4.634 1.00 0.00 O ATOM 761 CB GLU A 51 -14.526 2.490 6.344 1.00 0.00 C ATOM 762 CG GLU A 51 -15.519 3.408 7.038 1.00 0.00 C ATOM 763 CD GLU A 51 -16.837 3.510 6.295 1.00 0.00 C ATOM 764 OE1 GLU A 51 -17.506 2.469 6.129 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.199 4.631 5.880 1.00 0.00 O ATOM 0 H GLU A 51 -12.419 1.937 4.456 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.177 2.957 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.911 1.471 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.592 2.488 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.703 3.041 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.083 4.402 7.135 1.00 0.00 H new ATOM 772 N ASP A 52 -14.332 5.300 5.065 1.00 0.00 N ATOM 773 CA ASP A 52 -13.806 6.658 5.050 1.00 0.00 C ATOM 774 C ASP A 52 -14.609 7.561 5.982 1.00 0.00 C ATOM 775 O ASP A 52 -15.818 7.389 6.139 1.00 0.00 O ATOM 776 CB ASP A 52 -13.830 7.213 3.624 1.00 0.00 C ATOM 777 CG ASP A 52 -13.371 8.656 3.549 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.156 8.901 3.702 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.227 9.542 3.339 1.00 0.00 O ATOM 0 H ASP A 52 -15.334 5.239 5.248 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.776 6.633 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.191 6.599 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.842 7.137 3.226 1.00 0.00 H new ATOM 784 N THR A 53 -13.929 8.522 6.597 1.00 0.00 N ATOM 785 CA THR A 53 -14.579 9.452 7.513 1.00 0.00 C ATOM 786 C THR A 53 -15.058 10.698 6.775 1.00 0.00 C ATOM 787 O THR A 53 -16.248 11.011 6.773 1.00 0.00 O ATOM 788 CB THR A 53 -13.620 9.849 8.637 1.00 0.00 C ATOM 789 OG1 THR A 53 -12.615 10.721 8.153 1.00 0.00 O ATOM 790 CG2 THR A 53 -12.929 8.664 9.280 1.00 0.00 C ATOM 0 H THR A 53 -12.928 8.677 6.478 1.00 0.00 H new ATOM 0 HA THR A 53 -15.446 8.951 7.944 1.00 0.00 H new ATOM 0 HB THR A 53 -14.240 10.339 9.387 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.757 10.493 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.263 9.015 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.676 7.995 9.707 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.350 8.129 8.528 1.00 0.00 H new ATOM 798 N THR A 54 -14.123 11.405 6.150 1.00 0.00 N ATOM 799 CA THR A 54 -14.451 12.618 5.408 1.00 0.00 C ATOM 800 C THR A 54 -13.574 12.751 4.166 1.00 0.00 C ATOM 801 O THR A 54 -12.563 12.060 4.031 1.00 0.00 O ATOM 802 CB THR A 54 -14.279 13.848 6.300 1.00 0.00 C ATOM 803 OG1 THR A 54 -14.552 13.528 7.653 1.00 0.00 O ATOM 804 CG2 THR A 54 -15.181 15.000 5.911 1.00 0.00 C ATOM 0 H THR A 54 -13.133 11.160 6.142 1.00 0.00 H new ATOM 0 HA THR A 54 -15.492 12.549 5.091 1.00 0.00 H new ATOM 0 HB THR A 54 -13.242 14.158 6.168 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.435 14.327 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.009 15.840 6.584 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.962 15.304 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.223 14.686 5.982 1.00 0.00 H new ATOM 812 N LEU A 55 -13.968 13.643 3.264 1.00 0.00 N ATOM 813 CA LEU A 55 -13.219 13.867 2.032 1.00 0.00 C ATOM 814 C LEU A 55 -12.938 15.352 1.830 1.00 0.00 C ATOM 815 O LEU A 55 -11.819 15.743 1.497 1.00 0.00 O ATOM 816 CB LEU A 55 -13.990 13.313 0.834 1.00 0.00 C ATOM 817 CG LEU A 55 -13.736 11.836 0.526 1.00 0.00 C ATOM 818 CD1 LEU A 55 -14.627 11.368 -0.615 1.00 0.00 C ATOM 819 CD2 LEU A 55 -12.270 11.609 0.188 1.00 0.00 C ATOM 0 H LEU A 55 -14.801 14.223 3.362 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.266 13.344 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.056 13.453 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.734 13.901 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.980 11.251 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.433 10.315 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.673 11.496 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.415 11.957 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.106 10.553 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.001 12.205 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.651 11.906 1.035 1.00 0.00 H new ATOM 831 N ASN A 56 -13.961 16.176 2.033 1.00 0.00 N ATOM 832 CA ASN A 56 -13.824 17.619 1.872 1.00 0.00 C ATOM 833 C ASN A 56 -13.359 18.269 3.173 1.00 0.00 C ATOM 834 O ASN A 56 -13.998 19.190 3.683 1.00 0.00 O ATOM 835 CB ASN A 56 -15.154 18.231 1.426 1.00 0.00 C ATOM 836 CG ASN A 56 -16.287 17.912 2.381 1.00 0.00 C ATOM 837 OD1 ASN A 56 -16.960 16.791 2.148 1.00 0.00 O flip ATOM 838 ND2 ASN A 56 -16.554 18.663 3.319 1.00 0.00 N flip ATOM 0 H ASN A 56 -14.894 15.869 2.309 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.072 17.806 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -15.044 19.312 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.406 17.861 0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.011 19.515 3.461 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -17.318 18.434 3.954 1.00 0.00 H new ATOM 845 N ARG A 57 -12.242 17.783 3.704 1.00 0.00 N ATOM 846 CA ARG A 57 -11.689 18.315 4.944 1.00 0.00 C ATOM 847 C ARG A 57 -10.169 18.196 4.958 1.00 0.00 C ATOM 848 O ARG A 57 -9.585 17.480 4.144 1.00 0.00 O ATOM 849 CB ARG A 57 -12.282 17.580 6.147 1.00 0.00 C ATOM 850 CG ARG A 57 -13.552 18.219 6.685 1.00 0.00 C ATOM 851 CD ARG A 57 -13.245 19.253 7.757 1.00 0.00 C ATOM 852 NE ARG A 57 -12.993 20.574 7.185 1.00 0.00 N ATOM 853 CZ ARG A 57 -13.952 21.393 6.761 1.00 0.00 C ATOM 854 NH1 ARG A 57 -15.227 21.032 6.843 1.00 0.00 N ATOM 855 NH2 ARG A 57 -13.637 22.577 6.254 1.00 0.00 N ATOM 0 H ARG A 57 -11.702 17.021 3.295 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.952 19.371 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.496 16.549 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.538 17.544 6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.097 18.691 5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.202 17.448 7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.081 19.313 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.375 18.934 8.330 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.025 20.886 7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.476 20.123 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.958 21.664 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.659 22.860 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.372 23.205 5.929 1.00 0.00 H new ATOM 869 N CYS A 58 -9.534 18.901 5.888 1.00 0.00 N ATOM 870 CA CYS A 58 -8.081 18.874 6.008 1.00 0.00 C ATOM 871 C CYS A 58 -7.595 17.483 6.404 1.00 0.00 C ATOM 872 O CYS A 58 -6.651 16.955 5.815 1.00 0.00 O ATOM 873 CB CYS A 58 -7.615 19.903 7.041 1.00 0.00 C ATOM 874 SG CYS A 58 -7.393 21.568 6.374 1.00 0.00 S ATOM 0 H CYS A 58 -10.003 19.498 6.570 1.00 0.00 H new ATOM 0 HA CYS A 58 -7.655 19.126 5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.341 19.942 7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.672 19.567 7.473 1.00 0.00 H new ATOM 0 HG CYS A 58 -7.001 22.366 7.322 1.00 0.00 H new ATOM 880 N ALA A 59 -8.245 16.896 7.403 1.00 0.00 N ATOM 881 CA ALA A 59 -7.879 15.567 7.876 1.00 0.00 C ATOM 882 C ALA A 59 -8.725 14.492 7.200 1.00 0.00 C ATOM 883 O ALA A 59 -9.910 14.343 7.499 1.00 0.00 O ATOM 884 CB ALA A 59 -8.029 15.486 9.388 1.00 0.00 C ATOM 0 H ALA A 59 -9.028 17.320 7.901 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.836 15.389 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.752 14.488 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.378 16.223 9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.064 15.689 9.662 1.00 0.00 H new ATOM 890 N THR A 60 -8.109 13.747 6.289 1.00 0.00 N ATOM 891 CA THR A 60 -8.805 12.685 5.571 1.00 0.00 C ATOM 892 C THR A 60 -8.317 11.313 6.021 1.00 0.00 C ATOM 893 O THR A 60 -7.187 10.918 5.730 1.00 0.00 O ATOM 894 CB THR A 60 -8.602 12.843 4.063 1.00 0.00 C ATOM 895 OG1 THR A 60 -9.036 14.120 3.629 1.00 0.00 O ATOM 896 CG2 THR A 60 -9.340 11.805 3.247 1.00 0.00 C ATOM 0 H THR A 60 -7.129 13.859 6.030 1.00 0.00 H new ATOM 0 HA THR A 60 -9.868 12.764 5.798 1.00 0.00 H new ATOM 0 HB THR A 60 -7.532 12.714 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.896 14.202 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.153 11.975 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.990 10.810 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.409 11.881 3.443 1.00 0.00 H new ATOM 904 N SER A 61 -9.176 10.588 6.730 1.00 0.00 N ATOM 905 CA SER A 61 -8.832 9.258 7.219 1.00 0.00 C ATOM 906 C SER A 61 -9.392 8.179 6.298 1.00 0.00 C ATOM 907 O SER A 61 -10.396 8.390 5.618 1.00 0.00 O ATOM 908 CB SER A 61 -9.367 9.060 8.639 1.00 0.00 C ATOM 909 OG SER A 61 -9.578 10.305 9.283 1.00 0.00 O ATOM 0 H SER A 61 -10.115 10.899 6.979 1.00 0.00 H new ATOM 0 HA SER A 61 -7.745 9.172 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.303 8.502 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.661 8.463 9.217 1.00 0.00 H new ATOM 0 HG SER A 61 -9.921 10.151 10.188 1.00 0.00 H new ATOM 915 N PHE A 62 -8.735 7.023 6.280 1.00 0.00 N ATOM 916 CA PHE A 62 -9.168 5.912 5.441 1.00 0.00 C ATOM 917 C PHE A 62 -8.948 4.578 6.148 1.00 0.00 C ATOM 918 O PHE A 62 -8.073 4.455 7.005 1.00 0.00 O ATOM 919 CB PHE A 62 -8.415 5.927 4.110 1.00 0.00 C ATOM 920 CG PHE A 62 -8.971 6.906 3.115 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.193 6.672 2.504 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.272 8.057 2.791 1.00 0.00 C ATOM 923 CE1 PHE A 62 -10.707 7.570 1.589 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.781 8.958 1.875 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.000 8.715 1.274 1.00 0.00 C ATOM 0 H PHE A 62 -7.902 6.832 6.836 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.234 6.029 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.368 6.167 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.440 4.927 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.749 5.778 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.319 8.253 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.661 7.378 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.226 9.851 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.400 9.418 0.559 1.00 0.00 H new ATOM 935 N ARG A 63 -9.746 3.582 5.781 1.00 0.00 N ATOM 936 CA ARG A 63 -9.639 2.255 6.378 1.00 0.00 C ATOM 937 C ARG A 63 -9.748 1.170 5.312 1.00 0.00 C ATOM 938 O ARG A 63 -10.639 1.208 4.464 1.00 0.00 O ATOM 939 CB ARG A 63 -10.727 2.059 7.435 1.00 0.00 C ATOM 940 CG ARG A 63 -10.309 2.502 8.828 1.00 0.00 C ATOM 941 CD ARG A 63 -11.147 1.829 9.902 1.00 0.00 C ATOM 942 NE ARG A 63 -10.799 0.419 10.064 1.00 0.00 N ATOM 943 CZ ARG A 63 -11.271 -0.354 11.040 1.00 0.00 C ATOM 944 NH1 ARG A 63 -12.110 0.142 11.941 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.904 -1.626 11.114 1.00 0.00 N ATOM 0 H ARG A 63 -10.475 3.668 5.073 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.662 2.175 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.616 2.616 7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.006 1.006 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.257 2.266 8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.409 3.584 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.007 2.348 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.203 1.915 9.645 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.157 0.003 9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.396 1.120 11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.469 -0.454 12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.260 -2.012 10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.265 -2.218 11.862 1.00 0.00 H new ATOM 959 N VAL A 64 -8.835 0.205 5.360 1.00 0.00 N ATOM 960 CA VAL A 64 -8.829 -0.889 4.397 1.00 0.00 C ATOM 961 C VAL A 64 -8.743 -2.240 5.097 1.00 0.00 C ATOM 962 O VAL A 64 -7.895 -2.449 5.965 1.00 0.00 O ATOM 963 CB VAL A 64 -7.655 -0.761 3.408 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.922 0.347 2.402 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.353 -0.512 4.154 1.00 0.00 C ATOM 0 H VAL A 64 -8.090 0.159 6.055 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.768 -0.828 3.846 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.560 -1.700 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.082 0.422 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.831 0.121 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.045 1.294 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.535 -0.424 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.433 0.411 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.156 -1.344 4.830 1.00 0.00 H new ATOM 975 N LEU A 65 -9.625 -3.157 4.710 1.00 0.00 N ATOM 976 CA LEU A 65 -9.650 -4.491 5.298 1.00 0.00 C ATOM 977 C LEU A 65 -9.432 -5.557 4.228 1.00 0.00 C ATOM 978 O LEU A 65 -10.029 -5.503 3.154 1.00 0.00 O ATOM 979 CB LEU A 65 -10.981 -4.733 6.012 1.00 0.00 C ATOM 980 CG LEU A 65 -10.937 -5.773 7.131 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.653 -7.156 6.563 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.889 -5.395 8.167 1.00 0.00 C ATOM 0 H LEU A 65 -10.332 -3.000 3.991 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.841 -4.557 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.329 -3.788 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.719 -5.047 5.274 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.911 -5.796 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.625 -7.884 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.438 -7.428 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.692 -7.148 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.871 -6.146 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.909 -5.344 7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.135 -4.424 8.596 1.00 0.00 H new ATOM 994 N VAL A 66 -8.571 -6.524 4.529 1.00 0.00 N ATOM 995 CA VAL A 66 -8.274 -7.599 3.590 1.00 0.00 C ATOM 996 C VAL A 66 -8.157 -8.941 4.304 1.00 0.00 C ATOM 997 O VAL A 66 -7.641 -9.021 5.419 1.00 0.00 O ATOM 998 CB VAL A 66 -6.969 -7.327 2.819 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.779 -8.350 1.709 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.967 -5.913 2.255 1.00 0.00 C ATOM 0 H VAL A 66 -8.068 -6.585 5.414 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.104 -7.638 2.885 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.134 -7.419 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.852 -8.141 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.732 -9.350 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.617 -8.293 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.037 -5.739 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.811 -5.791 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.051 -5.196 3.071 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.641 -9.994 3.653 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.591 -11.336 4.222 1.00 0.00 C ATOM 1012 C VAL A 67 -8.413 -12.386 3.130 1.00 0.00 C ATOM 1013 O VAL A 67 -9.243 -12.506 2.230 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.870 -11.655 5.021 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.732 -12.985 5.745 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.179 -10.535 6.002 1.00 0.00 C ATOM 0 H VAL A 67 -9.073 -9.944 2.730 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.734 -11.364 4.896 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.702 -11.735 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.645 -13.192 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.563 -13.779 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.888 -12.939 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.085 -10.777 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.347 -10.420 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.326 -9.603 5.456 1.00 0.00 H new ATOM 1026 N SER A 68 -7.323 -13.144 3.215 1.00 0.00 N ATOM 1027 CA SER A 68 -7.039 -14.182 2.231 1.00 0.00 C ATOM 1028 C SER A 68 -5.793 -14.975 2.617 1.00 0.00 C ATOM 1029 O SER A 68 -5.144 -14.681 3.622 1.00 0.00 O ATOM 1030 CB SER A 68 -6.853 -13.563 0.845 1.00 0.00 C ATOM 1031 OG SER A 68 -7.388 -14.402 -0.164 1.00 0.00 O ATOM 0 H SER A 68 -6.624 -13.059 3.953 1.00 0.00 H new ATOM 0 HA SER A 68 -7.888 -14.865 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.342 -12.589 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.792 -13.395 0.658 1.00 0.00 H new ATOM 0 HG SER A 68 -6.884 -14.277 -0.995 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.466 -15.979 1.811 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.300 -16.817 2.065 1.00 0.00 C ATOM 1039 C ALA A 69 -3.037 -16.213 1.454 1.00 0.00 C ATOM 1040 O ALA A 69 -1.922 -16.575 1.828 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.530 -18.218 1.522 1.00 0.00 C ATOM 0 H ALA A 69 -5.993 -16.233 0.975 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.156 -16.873 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.652 -18.833 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.399 -18.659 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.705 -18.168 0.447 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.216 -15.289 0.512 1.00 0.00 N ATOM 1048 CA LYS A 70 -2.088 -14.638 -0.148 1.00 0.00 C ATOM 1049 C LYS A 70 -1.122 -14.047 0.876 1.00 0.00 C ATOM 1050 O LYS A 70 0.085 -13.989 0.645 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.587 -13.540 -1.089 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.471 -12.806 -1.818 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.788 -13.702 -2.839 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.694 -13.990 -4.025 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.567 -15.398 -4.492 1.00 0.00 N ATOM 0 H LYS A 70 -4.131 -14.975 0.189 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.555 -15.391 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.260 -13.982 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.170 -12.819 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.878 -11.927 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.736 -12.450 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.128 -13.225 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.499 -14.640 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.729 -13.792 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.448 -13.313 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.201 -15.554 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.585 -15.581 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.827 -16.045 -3.720 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.664 -13.610 2.009 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.852 -13.024 3.069 1.00 0.00 C ATOM 1071 C PHE A 71 -0.079 -14.102 3.822 1.00 0.00 C ATOM 1072 O PHE A 71 1.025 -13.862 4.310 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.734 -12.240 4.041 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.132 -10.885 3.529 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.188 -10.034 2.975 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.449 -10.461 3.601 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.551 -8.787 2.503 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.817 -9.215 3.133 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.867 -8.377 2.581 1.00 0.00 C ATOM 0 H PHE A 71 -2.662 -13.651 2.216 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.136 -12.343 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.633 -12.819 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.204 -12.121 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.157 -10.349 2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.197 -11.113 4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.806 -8.134 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.847 -8.896 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.153 -7.403 2.211 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.667 -15.291 3.915 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.034 -16.404 4.608 1.00 0.00 C ATOM 1091 C GLU A 72 1.299 -16.764 3.960 1.00 0.00 C ATOM 1092 O GLU A 72 2.225 -17.220 4.632 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.964 -17.620 4.608 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.647 -17.864 5.943 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.750 -18.575 6.937 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.279 -19.688 6.621 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -0.518 -18.020 8.032 1.00 0.00 O ATOM 0 H GLU A 72 -1.582 -15.507 3.518 1.00 0.00 H new ATOM 0 HA GLU A 72 0.158 -16.100 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.725 -17.485 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.390 -18.506 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.965 -16.910 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.547 -18.457 5.783 1.00 0.00 H new ATOM 1104 N GLY A 73 1.391 -16.555 2.651 1.00 0.00 N ATOM 1105 CA GLY A 73 2.614 -16.862 1.934 1.00 0.00 C ATOM 1106 C GLY A 73 3.800 -16.065 2.442 1.00 0.00 C ATOM 1107 O GLY A 73 4.925 -16.564 2.470 1.00 0.00 O ATOM 0 H GLY A 73 0.639 -16.178 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.829 -17.927 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.471 -16.658 0.873 1.00 0.00 H new ATOM 1111 N LYS A 74 3.548 -14.823 2.843 1.00 0.00 N ATOM 1112 CA LYS A 74 4.604 -13.954 3.351 1.00 0.00 C ATOM 1113 C LYS A 74 4.395 -13.654 4.833 1.00 0.00 C ATOM 1114 O LYS A 74 3.286 -13.782 5.350 1.00 0.00 O ATOM 1115 CB LYS A 74 4.644 -12.648 2.554 1.00 0.00 C ATOM 1116 CG LYS A 74 5.356 -12.774 1.217 1.00 0.00 C ATOM 1117 CD LYS A 74 5.730 -11.412 0.656 1.00 0.00 C ATOM 1118 CE LYS A 74 5.720 -11.413 -0.864 1.00 0.00 C ATOM 1119 NZ LYS A 74 6.521 -12.536 -1.424 1.00 0.00 N ATOM 0 H LYS A 74 2.622 -14.396 2.826 1.00 0.00 H new ATOM 0 HA LYS A 74 5.556 -14.472 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.624 -12.305 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.141 -11.883 3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.255 -13.379 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.713 -13.297 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.031 -10.661 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.720 -11.129 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.692 -11.487 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.117 -10.466 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.674 -12.380 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.440 -12.583 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.010 -13.431 -1.284 1.00 0.00 H new ATOM 1133 N PRO A 75 5.464 -13.247 5.539 1.00 0.00 N ATOM 1134 CA PRO A 75 5.391 -12.927 6.969 1.00 0.00 C ATOM 1135 C PRO A 75 4.511 -11.713 7.246 1.00 0.00 C ATOM 1136 O PRO A 75 3.775 -11.255 6.372 1.00 0.00 O ATOM 1137 CB PRO A 75 6.846 -12.634 7.350 1.00 0.00 C ATOM 1138 CG PRO A 75 7.512 -12.265 6.070 1.00 0.00 C ATOM 1139 CD PRO A 75 6.824 -13.065 5.002 1.00 0.00 C ATOM 0 HA PRO A 75 4.945 -13.739 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.908 -11.823 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.318 -13.505 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.421 -11.196 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.577 -12.494 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.813 -12.537 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.321 -14.020 4.832 1.00 0.00 H new ATOM 1147 N LEU A 76 4.591 -11.197 8.468 1.00 0.00 N ATOM 1148 CA LEU A 76 3.800 -10.036 8.861 1.00 0.00 C ATOM 1149 C LEU A 76 4.446 -8.742 8.375 1.00 0.00 C ATOM 1150 O LEU A 76 3.757 -7.763 8.087 1.00 0.00 O ATOM 1151 CB LEU A 76 3.637 -9.997 10.382 1.00 0.00 C ATOM 1152 CG LEU A 76 2.754 -8.865 10.910 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.306 -9.319 11.009 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.257 -8.384 12.262 1.00 0.00 C ATOM 0 H LEU A 76 5.195 -11.564 9.203 1.00 0.00 H new ATOM 0 HA LEU A 76 2.818 -10.125 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.218 -10.948 10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.624 -9.909 10.836 1.00 0.00 H new ATOM 0 HG LEU A 76 2.805 -8.033 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.693 -8.500 11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.949 -9.615 10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.237 -10.168 11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.617 -7.579 12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.236 -9.210 12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.279 -8.018 12.161 1.00 0.00 H new ATOM 1166 N LEU A 77 5.772 -8.744 8.287 1.00 0.00 N ATOM 1167 CA LEU A 77 6.509 -7.569 7.837 1.00 0.00 C ATOM 1168 C LEU A 77 6.381 -7.389 6.327 1.00 0.00 C ATOM 1169 O LEU A 77 6.370 -6.264 5.826 1.00 0.00 O ATOM 1170 CB LEU A 77 7.985 -7.685 8.225 1.00 0.00 C ATOM 1171 CG LEU A 77 8.633 -9.036 7.913 1.00 0.00 C ATOM 1172 CD1 LEU A 77 10.045 -8.843 7.382 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.646 -9.919 9.154 1.00 0.00 C ATOM 0 H LEU A 77 6.358 -9.546 8.521 1.00 0.00 H new ATOM 0 HA LEU A 77 6.080 -6.695 8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.543 -6.904 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.080 -7.492 9.293 1.00 0.00 H new ATOM 0 HG LEU A 77 8.042 -9.531 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.489 -9.815 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.012 -8.248 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.648 -8.327 8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.110 -10.876 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.214 -9.428 9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.623 -10.086 9.492 1.00 0.00 H new ATOM 1185 N GLN A 78 6.286 -8.502 5.607 1.00 0.00 N ATOM 1186 CA GLN A 78 6.161 -8.465 4.155 1.00 0.00 C ATOM 1187 C GLN A 78 4.754 -8.043 3.740 1.00 0.00 C ATOM 1188 O GLN A 78 4.583 -7.177 2.881 1.00 0.00 O ATOM 1189 CB GLN A 78 6.493 -9.833 3.558 1.00 0.00 C ATOM 1190 CG GLN A 78 7.922 -9.946 3.053 1.00 0.00 C ATOM 1191 CD GLN A 78 8.947 -9.691 4.141 1.00 0.00 C ATOM 1192 OE1 GLN A 78 9.337 -10.604 4.869 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.389 -8.444 4.257 1.00 0.00 N ATOM 0 H GLN A 78 6.293 -9.441 6.006 1.00 0.00 H new ATOM 0 HA GLN A 78 6.869 -7.729 3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.321 -10.601 4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.808 -10.037 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.079 -10.941 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.074 -9.234 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.038 -7.718 3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.079 -8.212 4.971 1.00 0.00 H new ATOM 1202 N ARG A 79 3.750 -8.662 4.353 1.00 0.00 N ATOM 1203 CA ARG A 79 2.358 -8.352 4.043 1.00 0.00 C ATOM 1204 C ARG A 79 2.060 -6.876 4.290 1.00 0.00 C ATOM 1205 O ARG A 79 1.437 -6.213 3.462 1.00 0.00 O ATOM 1206 CB ARG A 79 1.420 -9.220 4.885 1.00 0.00 C ATOM 1207 CG ARG A 79 1.561 -8.996 6.381 1.00 0.00 C ATOM 1208 CD ARG A 79 0.667 -9.939 7.171 1.00 0.00 C ATOM 1209 NE ARG A 79 1.112 -11.327 7.071 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.533 -12.339 7.713 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.513 -12.123 8.499 1.00 0.00 N ATOM 1212 NH2 ARG A 79 1.001 -13.571 7.565 1.00 0.00 N ATOM 0 H ARG A 79 3.874 -9.380 5.066 1.00 0.00 H new ATOM 0 HA ARG A 79 2.192 -8.566 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.390 -9.017 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.614 -10.270 4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.600 -9.145 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.306 -7.964 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.656 -9.636 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.357 -9.859 6.806 1.00 0.00 H new ATOM 0 HE ARG A 79 1.913 -11.533 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.878 -11.177 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.953 -12.902 8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.804 -13.742 6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.558 -14.347 8.057 1.00 0.00 H new ATOM 1226 N HIS A 80 2.510 -6.368 5.433 1.00 0.00 N ATOM 1227 CA HIS A 80 2.290 -4.970 5.786 1.00 0.00 C ATOM 1228 C HIS A 80 3.025 -4.044 4.822 1.00 0.00 C ATOM 1229 O HIS A 80 2.537 -2.963 4.490 1.00 0.00 O ATOM 1230 CB HIS A 80 2.755 -4.706 7.220 1.00 0.00 C ATOM 1231 CG HIS A 80 1.690 -4.936 8.245 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.855 -4.640 9.582 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.437 -5.438 8.125 1.00 0.00 C ATOM 1234 CE1 HIS A 80 0.752 -4.951 10.239 1.00 0.00 C ATOM 1235 NE2 HIS A 80 -0.124 -5.436 9.378 1.00 0.00 N ATOM 0 H HIS A 80 3.029 -6.903 6.130 1.00 0.00 H new ATOM 0 HA HIS A 80 1.222 -4.766 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.606 -5.350 7.442 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.105 -3.677 7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.033 -5.777 7.213 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.594 -4.829 11.300 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.065 -5.757 9.607 1.00 0.00 H new ATOM 1244 N ARG A 81 4.200 -4.475 4.375 1.00 0.00 N ATOM 1245 CA ARG A 81 5.001 -3.685 3.448 1.00 0.00 C ATOM 1246 C ARG A 81 4.350 -3.637 2.070 1.00 0.00 C ATOM 1247 O ARG A 81 4.315 -2.589 1.424 1.00 0.00 O ATOM 1248 CB ARG A 81 6.414 -4.265 3.340 1.00 0.00 C ATOM 1249 CG ARG A 81 7.422 -3.585 4.251 1.00 0.00 C ATOM 1250 CD ARG A 81 8.832 -4.094 4.000 1.00 0.00 C ATOM 1251 NE ARG A 81 9.494 -3.360 2.923 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.784 -3.491 2.622 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.553 -4.323 3.312 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.307 -2.788 1.626 1.00 0.00 N ATOM 0 H ARG A 81 4.618 -5.367 4.640 1.00 0.00 H new ATOM 0 HA ARG A 81 5.062 -2.668 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.381 -5.328 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.755 -4.180 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.389 -2.507 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.150 -3.761 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.418 -4.004 4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.796 -5.154 3.748 1.00 0.00 H new ATOM 0 HE ARG A 81 8.935 -2.710 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.157 -4.867 4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.541 -4.419 3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.721 -2.147 1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.295 -2.888 1.395 1.00 0.00 H new ATOM 1268 N LEU A 82 3.832 -4.778 1.625 1.00 0.00 N ATOM 1269 CA LEU A 82 3.181 -4.867 0.324 1.00 0.00 C ATOM 1270 C LEU A 82 2.016 -3.888 0.229 1.00 0.00 C ATOM 1271 O LEU A 82 1.709 -3.374 -0.847 1.00 0.00 O ATOM 1272 CB LEU A 82 2.688 -6.294 0.077 1.00 0.00 C ATOM 1273 CG LEU A 82 3.677 -7.205 -0.652 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.385 -8.665 -0.344 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.626 -6.954 -2.151 1.00 0.00 C ATOM 0 H LEU A 82 3.851 -5.654 2.147 1.00 0.00 H new ATOM 0 HA LEU A 82 3.912 -4.605 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.440 -6.747 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.766 -6.248 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 82 4.682 -6.975 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.099 -9.298 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.473 -8.835 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.374 -8.910 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.336 -7.610 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.620 -7.156 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.885 -5.915 -2.355 1.00 0.00 H new ATOM 1287 N VAL A 83 1.368 -3.633 1.362 1.00 0.00 N ATOM 1288 CA VAL A 83 0.238 -2.714 1.405 1.00 0.00 C ATOM 1289 C VAL A 83 0.683 -1.282 1.129 1.00 0.00 C ATOM 1290 O VAL A 83 0.207 -0.643 0.190 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.476 -2.763 2.768 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.762 -1.952 2.729 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -0.756 -4.203 3.172 1.00 0.00 C ATOM 0 H VAL A 83 1.607 -4.050 2.262 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.457 -3.033 0.628 1.00 0.00 H new ATOM 0 HB VAL A 83 0.181 -2.320 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.252 -1.999 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.531 -0.914 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.427 -2.360 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.261 -4.218 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.392 -4.674 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.184 -4.750 3.245 1.00 0.00 H new ATOM 1303 N ASN A 84 1.597 -0.782 1.954 1.00 0.00 N ATOM 1304 CA ASN A 84 2.106 0.575 1.798 1.00 0.00 C ATOM 1305 C ASN A 84 2.901 0.714 0.503 1.00 0.00 C ATOM 1306 O ASN A 84 2.891 1.768 -0.133 1.00 0.00 O ATOM 1307 CB ASN A 84 2.985 0.955 2.991 1.00 0.00 C ATOM 1308 CG ASN A 84 4.010 -0.113 3.319 1.00 0.00 C ATOM 1309 OD1 ASN A 84 3.868 -0.846 4.298 1.00 0.00 O ATOM 1310 ND2 ASN A 84 5.051 -0.206 2.500 1.00 0.00 N ATOM 0 H ASN A 84 2.000 -1.296 2.737 1.00 0.00 H new ATOM 0 HA ASN A 84 1.252 1.251 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.498 1.893 2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.354 1.129 3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.773 -0.906 2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.128 0.422 1.700 1.00 0.00 H new ATOM 1317 N GLU A 85 3.588 -0.357 0.117 1.00 0.00 N ATOM 1318 CA GLU A 85 4.387 -0.355 -1.103 1.00 0.00 C ATOM 1319 C GLU A 85 3.532 -0.006 -2.317 1.00 0.00 C ATOM 1320 O GLU A 85 3.980 0.697 -3.222 1.00 0.00 O ATOM 1321 CB GLU A 85 5.048 -1.719 -1.306 1.00 0.00 C ATOM 1322 CG GLU A 85 6.349 -1.879 -0.538 1.00 0.00 C ATOM 1323 CD GLU A 85 7.500 -2.320 -1.423 1.00 0.00 C ATOM 1324 OE1 GLU A 85 8.050 -1.466 -2.149 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.851 -3.518 -1.387 1.00 0.00 O ATOM 0 H GLU A 85 3.607 -1.237 0.632 1.00 0.00 H new ATOM 0 HA GLU A 85 5.161 0.405 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.354 -2.500 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.241 -1.866 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.604 -0.932 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.208 -2.609 0.259 1.00 0.00 H new ATOM 1332 N CYS A 86 2.299 -0.501 -2.328 1.00 0.00 N ATOM 1333 CA CYS A 86 1.380 -0.241 -3.430 1.00 0.00 C ATOM 1334 C CYS A 86 0.975 1.230 -3.463 1.00 0.00 C ATOM 1335 O CYS A 86 1.156 1.913 -4.472 1.00 0.00 O ATOM 1336 CB CYS A 86 0.136 -1.121 -3.304 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.517 -1.707 -4.885 1.00 0.00 S ATOM 0 H CYS A 86 1.913 -1.085 -1.586 1.00 0.00 H new ATOM 0 HA CYS A 86 1.892 -0.481 -4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.375 -1.982 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.642 -0.559 -2.787 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.063 -2.901 -5.126 1.00 0.00 H new ATOM 1343 N LEU A 87 0.425 1.711 -2.353 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.007 3.101 -2.254 1.00 0.00 C ATOM 1345 C LEU A 87 1.016 3.932 -1.485 1.00 0.00 C ATOM 1346 O LEU A 87 0.655 4.770 -0.658 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.372 3.185 -1.568 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.386 2.129 -2.012 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.400 1.866 -0.909 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.084 2.567 -3.290 1.00 0.00 C ATOM 0 H LEU A 87 0.268 1.159 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.092 3.504 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.227 3.097 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.794 4.173 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.852 1.200 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.113 1.112 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.884 1.508 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.930 2.789 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.802 1.805 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.606 3.508 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.345 2.703 -4.080 1.00 0.00 H new ATOM 1362 N ALA A 88 2.293 3.696 -1.765 1.00 0.00 N ATOM 1363 CA ALA A 88 3.369 4.421 -1.100 1.00 0.00 C ATOM 1364 C ALA A 88 3.346 5.899 -1.471 1.00 0.00 C ATOM 1365 O ALA A 88 3.600 6.763 -0.632 1.00 0.00 O ATOM 1366 CB ALA A 88 4.715 3.806 -1.453 1.00 0.00 C ATOM 0 H ALA A 88 2.608 3.008 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 88 3.217 4.342 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.510 4.357 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.735 2.765 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.866 3.855 -2.531 1.00 0.00 H new ATOM 1372 N GLU A 89 3.043 6.184 -2.733 1.00 0.00 N ATOM 1373 CA GLU A 89 2.990 7.559 -3.215 1.00 0.00 C ATOM 1374 C GLU A 89 1.725 8.260 -2.726 1.00 0.00 C ATOM 1375 O GLU A 89 1.754 9.439 -2.373 1.00 0.00 O ATOM 1376 CB GLU A 89 3.044 7.589 -4.743 1.00 0.00 C ATOM 1377 CG GLU A 89 4.447 7.416 -5.304 1.00 0.00 C ATOM 1378 CD GLU A 89 4.572 7.929 -6.726 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.986 8.989 -7.028 1.00 0.00 O ATOM 1380 OE2 GLU A 89 5.258 7.270 -7.536 1.00 0.00 O ATOM 0 H GLU A 89 2.830 5.481 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 89 3.855 8.090 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.404 6.800 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.635 8.536 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.157 7.944 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.718 6.361 -5.277 1.00 0.00 H new ATOM 1387 N GLU A 90 0.617 7.528 -2.715 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.662 8.077 -2.274 1.00 0.00 C ATOM 1389 C GLU A 90 -0.717 8.209 -0.754 1.00 0.00 C ATOM 1390 O GLU A 90 -1.400 9.085 -0.223 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.813 7.194 -2.761 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.129 7.365 -4.238 1.00 0.00 C ATOM 1393 CD GLU A 90 -0.911 7.170 -5.121 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.205 8.165 -5.388 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -0.666 6.022 -5.548 1.00 0.00 O ATOM 0 H GLU A 90 0.578 6.551 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.763 9.073 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.565 6.150 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.706 7.421 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.900 6.651 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.539 8.361 -4.405 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.004 7.328 -0.058 1.00 0.00 N ATOM 1403 CA LEU A 91 0.019 7.339 1.405 1.00 0.00 C ATOM 1404 C LEU A 91 0.246 8.748 1.953 1.00 0.00 C ATOM 1405 O LEU A 91 -0.575 9.264 2.712 1.00 0.00 O ATOM 1406 CB LEU A 91 1.104 6.390 1.925 1.00 0.00 C ATOM 1407 CG LEU A 91 0.597 5.031 2.410 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.738 4.217 3.000 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.517 5.209 3.430 1.00 0.00 C ATOM 0 H LEU A 91 0.566 6.596 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.955 6.997 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.833 6.227 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.630 6.878 2.745 1.00 0.00 H new ATOM 0 HG LEU A 91 0.194 4.489 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.359 3.253 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.503 4.059 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.171 4.755 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.865 4.231 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.141 5.771 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.345 5.752 2.974 1.00 0.00 H new ATOM 1421 N PRO A 92 1.366 9.393 1.580 1.00 0.00 N ATOM 1422 CA PRO A 92 1.691 10.745 2.043 1.00 0.00 C ATOM 1423 C PRO A 92 0.494 11.692 1.976 1.00 0.00 C ATOM 1424 O PRO A 92 0.358 12.593 2.802 1.00 0.00 O ATOM 1425 CB PRO A 92 2.777 11.193 1.067 1.00 0.00 C ATOM 1426 CG PRO A 92 3.458 9.932 0.658 1.00 0.00 C ATOM 1427 CD PRO A 92 2.406 8.853 0.682 1.00 0.00 C ATOM 0 HA PRO A 92 1.999 10.755 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.349 11.709 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.474 11.885 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.891 10.030 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.275 9.693 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.011 8.657 -0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.808 7.911 1.056 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.369 11.479 0.987 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.553 12.314 0.815 1.00 0.00 C ATOM 1437 C HIS A 93 -2.616 11.974 1.854 1.00 0.00 C ATOM 1438 O HIS A 93 -3.387 12.838 2.275 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.125 12.139 -0.593 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.191 12.581 -1.677 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.190 13.858 -2.196 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.223 11.906 -2.341 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.262 13.951 -3.132 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.338 12.780 -3.239 1.00 0.00 N ATOM 0 H HIS A 93 -0.271 10.737 0.294 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.256 13.354 0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.376 11.090 -0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.054 12.704 -0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.056 10.873 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.033 14.834 -3.710 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.096 12.560 -3.885 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.652 10.711 2.265 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.620 10.256 3.255 1.00 0.00 C ATOM 1455 C ILE A 94 -3.247 10.741 4.651 1.00 0.00 C ATOM 1456 O ILE A 94 -2.189 10.397 5.178 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.727 8.719 3.273 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.890 8.177 1.852 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.890 8.278 4.150 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.178 8.606 1.184 1.00 0.00 C ATOM 0 H ILE A 94 -2.021 9.984 1.927 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.584 10.678 2.970 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.806 8.313 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.048 8.511 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.851 7.088 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.952 7.190 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.734 8.634 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.819 8.693 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.225 8.185 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.027 8.249 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.211 9.694 1.123 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.125 11.542 5.248 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.888 12.072 6.586 1.00 0.00 C ATOM 1474 C HIS A 95 -3.888 10.953 7.621 1.00 0.00 C ATOM 1475 O HIS A 95 -3.183 11.024 8.629 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.952 13.112 6.941 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.548 14.024 8.058 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -4.508 15.396 7.932 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.165 13.753 9.329 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.117 15.931 9.076 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.903 14.955 9.939 1.00 0.00 N ATOM 0 H HIS A 95 -5.006 11.838 4.827 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.908 12.549 6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.173 13.710 6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.873 12.598 7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.081 12.775 9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.994 16.986 9.271 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.593 15.075 10.903 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.682 9.918 7.364 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.775 8.781 8.271 1.00 0.00 C ATOM 1492 C ALA A 96 -5.177 7.516 7.520 1.00 0.00 C ATOM 1493 O ALA A 96 -6.264 7.441 6.950 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.767 9.074 9.386 1.00 0.00 C ATOM 0 H ALA A 96 -5.270 9.844 6.534 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.792 8.616 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.826 8.216 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.437 9.949 9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.750 9.267 8.957 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.291 6.525 7.525 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.554 5.264 6.842 1.00 0.00 C ATOM 1502 C PHE A 97 -4.401 4.084 7.796 1.00 0.00 C ATOM 1503 O PHE A 97 -3.501 4.063 8.635 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.606 5.097 5.653 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.979 3.962 4.741 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.746 2.649 5.118 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.561 4.209 3.509 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.087 1.604 4.282 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.905 3.166 2.668 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.668 1.862 3.056 1.00 0.00 C ATOM 0 H PHE A 97 -3.386 6.571 7.994 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.582 5.285 6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.590 6.023 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.594 4.935 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.293 2.441 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.748 5.227 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.899 0.585 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.358 3.371 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.936 1.046 2.402 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.287 3.103 7.661 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.252 1.917 8.510 1.00 0.00 C ATOM 1522 C GLU A 98 -5.247 0.647 7.665 1.00 0.00 C ATOM 1523 O GLU A 98 -6.120 0.447 6.820 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.451 1.908 9.459 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.182 1.193 10.772 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.496 2.083 11.791 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -4.268 2.281 11.675 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.187 2.580 12.705 1.00 0.00 O ATOM 0 H GLU A 98 -6.039 3.105 6.971 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.334 1.946 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.746 2.936 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.294 1.430 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.124 0.833 11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.561 0.317 10.584 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.258 -0.211 7.899 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.140 -1.462 7.159 1.00 0.00 C ATOM 1537 C GLN A 99 -4.256 -2.662 8.093 1.00 0.00 C ATOM 1538 O GLN A 99 -3.469 -2.813 9.027 1.00 0.00 O ATOM 1539 CB GLN A 99 -2.807 -1.511 6.411 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.620 -1.071 7.253 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.332 -1.003 6.456 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.058 -1.970 5.801 1.00 0.00 O ATOM 1543 NE2 GLN A 99 0.336 0.143 6.506 1.00 0.00 N ATOM 0 H GLN A 99 -3.527 -0.062 8.595 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.957 -1.507 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.635 -2.528 6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.872 -0.875 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.828 -0.092 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.492 -1.764 8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.024 0.919 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.209 0.247 5.989 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.243 -3.513 7.832 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.463 -4.702 8.649 1.00 0.00 C ATOM 1554 C LYS A 100 -5.584 -5.946 7.774 1.00 0.00 C ATOM 1555 O LYS A 100 -6.469 -6.034 6.923 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.724 -4.537 9.499 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.631 -5.205 10.861 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.268 -6.586 10.848 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.469 -7.120 12.257 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.339 -7.988 12.689 1.00 0.00 N ATOM 0 H LYS A 100 -5.903 -3.402 7.062 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.604 -4.824 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.922 -3.474 9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.574 -4.952 8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.585 -5.288 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.124 -4.582 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.228 -6.540 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.638 -7.273 10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.571 -6.285 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.399 -7.686 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.677 -8.964 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.590 -7.968 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.959 -7.639 13.592 1.00 0.00 H new ATOM 1574 N THR A 101 -4.687 -6.904 7.989 1.00 0.00 N ATOM 1575 CA THR A 101 -4.693 -8.142 7.219 1.00 0.00 C ATOM 1576 C THR A 101 -4.798 -9.355 8.137 1.00 0.00 C ATOM 1577 O THR A 101 -4.205 -9.383 9.216 1.00 0.00 O ATOM 1578 CB THR A 101 -3.427 -8.242 6.368 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.298 -8.518 7.178 1.00 0.00 O ATOM 1580 CG2 THR A 101 -3.131 -6.983 5.583 1.00 0.00 C ATOM 0 H THR A 101 -3.948 -6.846 8.689 1.00 0.00 H new ATOM 0 HA THR A 101 -5.564 -8.129 6.564 1.00 0.00 H new ATOM 0 HB THR A 101 -3.617 -9.053 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.531 -7.998 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.220 -7.123 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.962 -6.770 4.910 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.998 -6.148 6.271 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.556 -10.357 7.703 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.738 -11.573 8.486 1.00 0.00 C ATOM 1590 C LEU A 102 -5.969 -12.776 7.577 1.00 0.00 C ATOM 1591 O LEU A 102 -6.140 -12.629 6.366 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.913 -11.410 9.455 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.530 -11.376 10.935 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.768 -11.210 11.802 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.775 -12.640 11.319 1.00 0.00 C ATOM 0 H LEU A 102 -6.054 -10.350 6.813 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.828 -11.747 9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.441 -10.488 9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.613 -12.230 9.295 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.876 -10.520 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.477 -11.188 12.852 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.270 -10.277 11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.446 -12.046 11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.510 -12.599 12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.406 -13.510 11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.867 -12.718 10.720 1.00 0.00 H new ATOM 1607 N THR A 103 -5.974 -13.967 8.168 1.00 0.00 N ATOM 1608 CA THR A 103 -6.184 -15.197 7.412 1.00 0.00 C ATOM 1609 C THR A 103 -7.666 -15.562 7.367 1.00 0.00 C ATOM 1610 O THR A 103 -8.420 -15.240 8.283 1.00 0.00 O ATOM 1611 CB THR A 103 -5.382 -16.343 8.030 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.567 -16.384 9.434 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.896 -16.245 7.766 1.00 0.00 C ATOM 0 H THR A 103 -5.835 -14.106 9.169 1.00 0.00 H new ATOM 0 HA THR A 103 -5.839 -15.031 6.392 1.00 0.00 H new ATOM 0 HB THR A 103 -5.760 -17.248 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.086 -17.153 9.805 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.387 -17.089 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.716 -16.261 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.513 -15.314 8.184 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.102 -16.242 6.292 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.502 -16.651 6.131 1.00 0.00 C ATOM 1623 C PRO A 104 -10.013 -17.445 7.327 1.00 0.00 C ATOM 1624 O PRO A 104 -11.113 -17.199 7.824 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.477 -17.530 4.877 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.278 -17.079 4.119 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.267 -16.665 5.152 1.00 0.00 C ATOM 0 HA PRO A 104 -10.170 -15.793 6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.407 -18.586 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.386 -17.406 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.889 -17.881 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.524 -16.248 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.606 -17.489 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.634 -15.853 4.793 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.210 -18.400 7.785 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.582 -19.232 8.923 1.00 0.00 C ATOM 1637 C GLU A 105 -9.861 -18.379 10.157 1.00 0.00 C ATOM 1638 O GLU A 105 -10.860 -18.577 10.847 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.474 -20.243 9.227 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.993 -21.601 9.672 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.619 -22.385 8.536 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -10.694 -21.973 8.051 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -9.034 -23.412 8.130 1.00 0.00 O ATOM 0 H GLU A 105 -8.297 -18.617 7.385 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.494 -19.769 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.858 -20.373 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.828 -19.838 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.172 -22.178 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.730 -21.463 10.463 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.971 -17.430 10.427 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.122 -16.547 11.577 1.00 0.00 C ATOM 1652 C GLN A 106 -10.421 -15.751 11.484 1.00 0.00 C ATOM 1653 O GLN A 106 -11.221 -15.740 12.420 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.932 -15.590 11.672 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.648 -16.262 12.132 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.728 -16.753 13.565 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -7.787 -16.710 14.190 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -5.604 -17.223 14.092 1.00 0.00 N ATOM 0 H GLN A 106 -8.138 -17.253 9.865 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.157 -17.164 12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.764 -15.133 10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.179 -14.784 12.363 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.427 -17.103 11.475 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.820 -15.559 12.038 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.748 -17.240 13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.596 -17.567 15.052 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.623 -15.088 10.351 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.825 -14.290 10.137 1.00 0.00 C ATOM 1669 C TRP A 107 -13.077 -15.159 10.207 1.00 0.00 C ATOM 1670 O TRP A 107 -14.052 -14.808 10.872 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.757 -13.579 8.786 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.258 -12.171 8.840 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.523 -11.741 8.570 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.504 -11.005 9.191 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.603 -10.379 8.726 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.376 -9.903 9.107 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.176 -10.788 9.566 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.961 -8.603 9.386 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.765 -9.498 9.843 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.655 -8.419 9.752 1.00 0.00 C ATOM 0 H TRP A 107 -9.971 -15.087 9.567 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.880 -13.543 10.929 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.726 -13.578 8.434 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.342 -14.139 8.057 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.343 -12.379 8.276 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.440 -9.814 8.582 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.483 -11.613 9.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.645 -7.770 9.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.741 -9.318 10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.303 -7.423 9.975 1.00 0.00 H new ATOM 1691 N THR A 108 -13.043 -16.294 9.518 1.00 0.00 N ATOM 1692 CA THR A 108 -14.174 -17.213 9.503 1.00 0.00 C ATOM 1693 C THR A 108 -14.430 -17.787 10.894 1.00 0.00 C ATOM 1694 O THR A 108 -15.578 -17.966 11.300 1.00 0.00 O ATOM 1695 CB THR A 108 -13.920 -18.348 8.509 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.453 -17.836 7.273 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.151 -19.179 8.225 1.00 0.00 C ATOM 0 H THR A 108 -12.244 -16.600 8.962 1.00 0.00 H new ATOM 0 HA THR A 108 -15.058 -16.656 9.192 1.00 0.00 H new ATOM 0 HB THR A 108 -13.172 -18.985 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.474 -17.874 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.902 -19.966 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.509 -19.628 9.152 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.930 -18.543 7.805 1.00 0.00 H new ATOM 1705 N ARG A 109 -13.352 -18.073 11.617 1.00 0.00 N ATOM 1706 CA ARG A 109 -13.460 -18.626 12.962 1.00 0.00 C ATOM 1707 C ARG A 109 -13.821 -17.542 13.973 1.00 0.00 C ATOM 1708 O ARG A 109 -14.450 -17.818 14.994 1.00 0.00 O ATOM 1709 CB ARG A 109 -12.147 -19.300 13.366 1.00 0.00 C ATOM 1710 CG ARG A 109 -11.969 -20.689 12.774 1.00 0.00 C ATOM 1711 CD ARG A 109 -11.453 -21.676 13.809 1.00 0.00 C ATOM 1712 NE ARG A 109 -10.187 -21.244 14.396 1.00 0.00 N ATOM 1713 CZ ARG A 109 -9.705 -21.712 15.546 1.00 0.00 C ATOM 1714 NH1 ARG A 109 -10.379 -22.625 16.233 1.00 0.00 N ATOM 1715 NH2 ARG A 109 -8.545 -21.265 16.009 1.00 0.00 N ATOM 0 H ARG A 109 -12.395 -17.931 11.294 1.00 0.00 H new ATOM 0 HA ARG A 109 -14.257 -19.370 12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.314 -18.671 13.053 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.103 -19.369 14.453 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.921 -21.041 12.378 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.273 -20.642 11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.196 -21.795 14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.322 -22.653 13.344 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.640 -20.543 13.896 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.271 -22.972 15.881 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.005 -22.980 17.113 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.023 -20.563 15.484 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.175 -21.623 16.890 1.00 0.00 H new ATOM 1729 N GLN A 110 -13.419 -16.309 13.681 1.00 0.00 N ATOM 1730 CA GLN A 110 -13.702 -15.184 14.567 1.00 0.00 C ATOM 1731 C GLN A 110 -15.193 -14.853 14.589 1.00 0.00 C ATOM 1732 O GLN A 110 -15.657 -14.101 15.446 1.00 0.00 O ATOM 1733 CB GLN A 110 -12.901 -13.954 14.134 1.00 0.00 C ATOM 1734 CG GLN A 110 -12.911 -12.832 15.159 1.00 0.00 C ATOM 1735 CD GLN A 110 -12.373 -11.529 14.601 1.00 0.00 C ATOM 1736 OE1 GLN A 110 -11.712 -11.511 13.563 1.00 0.00 O ATOM 1737 NE2 GLN A 110 -12.655 -10.428 15.290 1.00 0.00 N ATOM 0 H GLN A 110 -12.897 -16.063 12.840 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.404 -15.472 15.575 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -11.870 -14.251 13.942 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.305 -13.580 13.193 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.930 -12.678 15.514 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.314 -13.128 16.022 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.207 -10.489 16.146 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.320 -9.522 14.963 1.00 0.00 H new ATOM 1746 N ARG A 111 -15.939 -15.418 13.646 1.00 0.00 N ATOM 1747 CA ARG A 111 -17.375 -15.181 13.563 1.00 0.00 C ATOM 1748 C ARG A 111 -18.146 -16.497 13.576 1.00 0.00 C ATOM 1749 O ARG A 111 -18.810 -16.852 12.600 1.00 0.00 O ATOM 1750 CB ARG A 111 -17.710 -14.389 12.296 1.00 0.00 C ATOM 1751 CG ARG A 111 -17.254 -15.069 11.016 1.00 0.00 C ATOM 1752 CD ARG A 111 -16.976 -14.057 9.916 1.00 0.00 C ATOM 1753 NE ARG A 111 -18.065 -13.094 9.768 1.00 0.00 N ATOM 1754 CZ ARG A 111 -18.089 -12.140 8.842 1.00 0.00 C ATOM 1755 NH1 ARG A 111 -17.088 -12.016 7.979 1.00 0.00 N ATOM 1756 NH2 ARG A 111 -19.118 -11.306 8.777 1.00 0.00 N ATOM 0 H ARG A 111 -15.573 -16.043 12.928 1.00 0.00 H new ATOM 0 HA ARG A 111 -17.674 -14.599 14.435 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -18.788 -14.232 12.250 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.247 -13.404 12.360 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -16.353 -15.651 11.213 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -18.019 -15.770 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -16.050 -13.526 10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -16.825 -14.580 8.972 1.00 0.00 H new ATOM 0 HE ARG A 111 -18.853 -13.157 10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -16.294 -12.655 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -17.113 -11.282 7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -19.890 -11.397 9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -19.137 -10.574 8.067 1.00 0.00 H new ATOM 1770 N ARG A 112 -18.053 -17.220 14.687 1.00 0.00 N ATOM 1771 CA ARG A 112 -18.741 -18.497 14.830 1.00 0.00 C ATOM 1772 C ARG A 112 -18.324 -19.469 13.729 1.00 0.00 C ATOM 1773 O ARG A 112 -17.686 -19.078 12.752 1.00 0.00 O ATOM 1774 CB ARG A 112 -20.255 -18.290 14.798 1.00 0.00 C ATOM 1775 CG ARG A 112 -20.860 -18.014 16.165 1.00 0.00 C ATOM 1776 CD ARG A 112 -20.870 -19.263 17.032 1.00 0.00 C ATOM 1777 NE ARG A 112 -21.909 -19.208 18.059 1.00 0.00 N ATOM 1778 CZ ARG A 112 -22.114 -20.169 18.956 1.00 0.00 C ATOM 1779 NH1 ARG A 112 -21.357 -21.259 18.958 1.00 0.00 N ATOM 1780 NH2 ARG A 112 -23.081 -20.040 19.855 1.00 0.00 N ATOM 0 H ARG A 112 -17.507 -16.942 15.503 1.00 0.00 H new ATOM 0 HA ARG A 112 -18.460 -18.926 15.792 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -20.486 -17.458 14.133 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -20.726 -19.177 14.374 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -20.292 -17.228 16.663 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -21.878 -17.645 16.046 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -21.027 -20.139 16.403 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -19.896 -19.382 17.507 1.00 0.00 H new ATOM 0 HE ARG A 112 -22.511 -18.385 18.090 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -20.612 -21.364 18.269 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -21.520 -21.992 19.649 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -23.666 -19.205 19.858 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -23.239 -20.776 20.543 1.00 0.00 H new ATOM 1794 N GLU A 113 -18.691 -20.735 13.894 1.00 0.00 N ATOM 1795 CA GLU A 113 -18.356 -21.762 12.914 1.00 0.00 C ATOM 1796 C GLU A 113 -19.226 -21.629 11.668 1.00 0.00 C ATOM 1797 O GLU A 113 -19.234 -22.572 10.850 1.00 0.00 O ATOM 1798 CB GLU A 113 -18.528 -23.154 13.524 1.00 0.00 C ATOM 1799 CG GLU A 113 -19.956 -23.463 13.943 1.00 0.00 C ATOM 1800 CD GLU A 113 -20.141 -24.909 14.360 1.00 0.00 C ATOM 1801 OE1 GLU A 113 -20.365 -25.758 13.473 1.00 0.00 O ATOM 1802 OE2 GLU A 113 -20.061 -25.191 15.574 1.00 0.00 O ATOM 1803 OXT GLU A 113 -19.892 -20.583 11.521 1.00 0.00 O ATOM 0 H GLU A 113 -19.220 -21.075 14.697 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.314 -21.626 12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -18.201 -23.901 12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -17.876 -23.244 14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -20.237 -22.811 14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -20.630 -23.238 13.117 1.00 0.00 H new TER 1810 GLU A 113