USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 981 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 99 GLN : amide:sc= -4 K(o=-3.9,f=-11!) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.113 USER MOD Set 2.1: A 51 GLN : amide:sc= 0 X(o=-0.84,f=-0.84) USER MOD Set 2.2: A 59 MET CE :methyl 180:sc= -0.0989 (180deg=0) USER MOD Set 2.3: A 61 ASN : amide:sc= -0.737 K(o=-0.84,f=-11!) USER MOD Set 3.1: A 52 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-6.8!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 53 TYR OH : rot 103:sc= 0.55 USER MOD Set 4.2: A 57 HIS : no HE2:sc= -2.01 K(o=-1.5,f=-3) USER MOD Set 4.3: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 50 SER OG : rot -80:sc= 0.527 USER MOD Set 5.2: A 60 THR OG1 : rot 34:sc= 0.914 USER MOD Set 6.1: A 8 MET CE :methyl -157:sc= -0.223 (180deg=-0.917) USER MOD Set 6.2: A 119 TYR OH : rot 54:sc= 1.05 USER MOD Set 7.1: A 1 ALA N :NH3+ -132:sc= 0.449 (180deg=0) USER MOD Set 7.2: A 3 THR OG1 : rot 123:sc= -0.0341 USER MOD Set 7.3: A 42 GLN : amide:sc= 0.518 K(o=0.93,f=-5.4) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= 0.0156 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.07 K(o=-0.07,f=-0.57) USER MOD Single : A 14 TYR OH : rot 158:sc= 0.133 USER MOD Single : A 18 MET CE :methyl 180:sc= -0.179 (180deg=-0.179) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -91:sc= 1.2 USER MOD Single : A 25 SER OG : rot 48:sc= 0.86 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 48 THR OG1 : rot -6:sc= 0.814 USER MOD Single : A 54 SER OG : rot -51:sc= 0.468 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -15:sc= 0.222 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.186 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 72 GLN : amide:sc= -0.0106 K(o=-0.011,f=0.76) USER MOD Single : A 73 THR OG1 : rot -52:sc= 1.14 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -150:sc= 0.878 (180deg=0.057) USER MOD Single : A 93 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.18) USER MOD Single : A 96 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.8!) USER MOD Single : A 97 TYR OH : rot 78:sc= 1.34 USER MOD Single : A 98 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-3.3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -153:sc= 1.64 USER MOD Single : A 113 THR OG1 : rot 6:sc= 0.931 USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00861 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.890 7.946 14.473 1.00 0.00 N ATOM 2 CA ALA A 1 3.323 8.232 13.164 1.00 0.00 C ATOM 3 C ALA A 1 2.768 6.967 12.554 1.00 0.00 C ATOM 4 O ALA A 1 3.075 5.900 13.060 1.00 0.00 O ATOM 5 CB ALA A 1 4.409 8.840 12.240 1.00 0.00 C ATOM 0 H1 ALA A 1 3.543 8.644 15.162 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.606 6.992 14.774 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.927 7.998 14.421 1.00 0.00 H new ATOM 0 HA ALA A 1 2.512 8.952 13.277 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.977 9.052 11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.784 9.765 12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.230 8.132 12.129 1.00 0.00 H new ATOM 11 N PHE A 2 1.963 7.073 11.469 1.00 0.00 N ATOM 12 CA PHE A 2 1.470 5.879 10.782 1.00 0.00 C ATOM 13 C PHE A 2 0.894 4.878 11.754 1.00 0.00 C ATOM 14 O PHE A 2 1.549 3.893 12.056 1.00 0.00 O ATOM 15 CB PHE A 2 2.628 5.260 9.962 1.00 0.00 C ATOM 16 CG PHE A 2 2.821 6.064 8.676 1.00 0.00 C ATOM 17 CD1 PHE A 2 1.967 5.857 7.588 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.855 7.001 8.590 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.182 6.547 6.393 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.085 7.673 7.389 1.00 0.00 C ATOM 21 CZ PHE A 2 3.278 7.402 6.281 1.00 0.00 C ATOM 0 H PHE A 2 1.653 7.957 11.066 1.00 0.00 H new ATOM 0 HA PHE A 2 0.660 6.163 10.110 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.547 5.264 10.548 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.406 4.220 9.724 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.142 5.165 7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.474 7.204 9.451 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.504 6.419 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.882 8.398 7.316 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.505 7.859 5.329 1.00 0.00 H new ATOM 31 N THR A 3 -0.337 5.116 12.261 1.00 0.00 N ATOM 32 CA THR A 3 -0.946 4.169 13.190 1.00 0.00 C ATOM 33 C THR A 3 -2.442 4.377 13.163 1.00 0.00 C ATOM 34 O THR A 3 -2.870 5.487 13.440 1.00 0.00 O ATOM 35 CB THR A 3 -0.430 4.400 14.638 1.00 0.00 C ATOM 36 OG1 THR A 3 0.964 4.071 14.733 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.179 3.512 15.664 1.00 0.00 C ATOM 0 H THR A 3 -0.905 5.935 12.044 1.00 0.00 H new ATOM 0 HA THR A 3 -0.684 3.155 12.889 1.00 0.00 H new ATOM 0 HB THR A 3 -0.603 5.452 14.863 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.462 4.849 15.059 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.789 3.703 16.664 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.243 3.746 15.639 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.032 2.462 15.412 1.00 0.00 H new ATOM 45 N GLY A 4 -3.252 3.344 12.843 1.00 0.00 N ATOM 46 CA GLY A 4 -4.699 3.520 12.877 1.00 0.00 C ATOM 47 C GLY A 4 -5.392 2.454 12.075 1.00 0.00 C ATOM 48 O GLY A 4 -4.718 1.554 11.600 1.00 0.00 O ATOM 0 H GLY A 4 -2.932 2.415 12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.048 3.488 13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.958 4.503 12.483 1.00 0.00 H new ATOM 52 N LYS A 5 -6.731 2.565 11.919 1.00 0.00 N ATOM 53 CA LYS A 5 -7.466 1.658 11.043 1.00 0.00 C ATOM 54 C LYS A 5 -7.963 2.483 9.887 1.00 0.00 C ATOM 55 O LYS A 5 -8.318 3.627 10.116 1.00 0.00 O ATOM 56 CB LYS A 5 -8.619 0.962 11.806 1.00 0.00 C ATOM 57 CG LYS A 5 -9.440 -0.010 10.913 1.00 0.00 C ATOM 58 CD LYS A 5 -10.446 -0.823 11.775 1.00 0.00 C ATOM 59 CE LYS A 5 -11.168 -1.944 10.973 1.00 0.00 C ATOM 60 NZ LYS A 5 -10.330 -3.155 10.800 1.00 0.00 N ATOM 0 H LYS A 5 -7.307 3.266 12.385 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.827 0.853 10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.207 0.410 12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.286 1.721 12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.978 0.554 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.767 -0.690 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.917 -1.270 12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.191 -0.144 12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.090 -2.216 11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.450 -1.560 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.672 -3.700 9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.342 -2.873 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.388 -3.742 11.656 1.00 0.00 H new ATOM 74 N PHE A 6 -7.977 1.930 8.654 1.00 0.00 N ATOM 75 CA PHE A 6 -8.358 2.722 7.494 1.00 0.00 C ATOM 76 C PHE A 6 -9.040 1.841 6.477 1.00 0.00 C ATOM 77 O PHE A 6 -8.964 0.636 6.650 1.00 0.00 O ATOM 78 CB PHE A 6 -7.105 3.377 6.848 1.00 0.00 C ATOM 79 CG PHE A 6 -6.122 4.059 7.808 1.00 0.00 C ATOM 80 CD1 PHE A 6 -5.211 3.293 8.541 1.00 0.00 C ATOM 81 CD2 PHE A 6 -6.098 5.454 7.929 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.285 3.913 9.385 1.00 0.00 C ATOM 83 CE2 PHE A 6 -5.171 6.076 8.769 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.282 5.303 9.522 1.00 0.00 C ATOM 0 H PHE A 6 -7.733 0.960 8.452 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.041 3.507 7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.565 2.609 6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.442 4.116 6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.223 2.217 8.455 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.801 6.053 7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.570 3.316 9.932 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.141 7.153 8.837 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.596 5.779 10.207 1.00 0.00 H new ATOM 94 N GLU A 7 -9.688 2.380 5.416 1.00 0.00 N ATOM 95 CA GLU A 7 -10.177 1.498 4.353 1.00 0.00 C ATOM 96 C GLU A 7 -10.249 2.229 3.038 1.00 0.00 C ATOM 97 O GLU A 7 -10.389 3.441 3.057 1.00 0.00 O ATOM 98 CB GLU A 7 -11.537 0.831 4.687 1.00 0.00 C ATOM 99 CG GLU A 7 -12.694 1.860 4.645 1.00 0.00 C ATOM 100 CD GLU A 7 -13.968 1.334 5.255 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.169 0.090 5.261 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.784 2.169 5.733 1.00 0.00 O ATOM 0 H GLU A 7 -9.873 3.374 5.283 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.450 0.690 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.735 0.029 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.488 0.376 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.390 2.763 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.883 2.145 3.610 1.00 0.00 H new ATOM 109 N MET A 8 -10.140 1.507 1.899 1.00 0.00 N ATOM 110 CA MET A 8 -10.000 2.188 0.617 1.00 0.00 C ATOM 111 C MET A 8 -11.290 2.866 0.236 1.00 0.00 C ATOM 112 O MET A 8 -12.327 2.278 0.495 1.00 0.00 O ATOM 113 CB MET A 8 -9.543 1.213 -0.497 1.00 0.00 C ATOM 114 CG MET A 8 -9.162 1.958 -1.804 1.00 0.00 C ATOM 115 SD MET A 8 -8.424 0.807 -3.013 1.00 0.00 S ATOM 116 CE MET A 8 -6.933 0.250 -2.123 1.00 0.00 C ATOM 0 H MET A 8 -10.147 0.488 1.852 1.00 0.00 H new ATOM 0 HA MET A 8 -9.227 2.948 0.726 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.687 0.637 -0.146 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.342 0.501 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.048 2.425 -2.234 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.457 2.758 -1.580 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.194 -0.108 -2.840 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.515 1.082 -1.556 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.197 -0.558 -1.440 1.00 0.00 H new ATOM 126 N GLU A 9 -11.236 4.078 -0.369 1.00 0.00 N ATOM 127 CA GLU A 9 -12.450 4.765 -0.817 1.00 0.00 C ATOM 128 C GLU A 9 -12.420 4.895 -2.323 1.00 0.00 C ATOM 129 O GLU A 9 -13.342 4.422 -2.971 1.00 0.00 O ATOM 130 CB GLU A 9 -12.578 6.176 -0.179 1.00 0.00 C ATOM 131 CG GLU A 9 -12.359 6.130 1.352 1.00 0.00 C ATOM 132 CD GLU A 9 -13.363 5.269 2.074 1.00 0.00 C ATOM 133 OE1 GLU A 9 -14.551 5.240 1.653 1.00 0.00 O ATOM 134 OE2 GLU A 9 -12.973 4.617 3.078 1.00 0.00 O ATOM 0 H GLU A 9 -10.371 4.587 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.311 4.175 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.849 6.848 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.565 6.585 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.356 5.756 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.408 7.144 1.749 1.00 0.00 H new ATOM 141 N SER A 10 -11.372 5.538 -2.894 1.00 0.00 N ATOM 142 CA SER A 10 -11.321 5.756 -4.337 1.00 0.00 C ATOM 143 C SER A 10 -9.889 5.689 -4.817 1.00 0.00 C ATOM 144 O SER A 10 -9.000 5.563 -3.989 1.00 0.00 O ATOM 145 CB SER A 10 -11.975 7.133 -4.625 1.00 0.00 C ATOM 146 OG SER A 10 -11.276 8.191 -3.951 1.00 0.00 O ATOM 0 H SER A 10 -10.571 5.904 -2.378 1.00 0.00 H new ATOM 0 HA SER A 10 -11.868 4.983 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.976 7.321 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.016 7.119 -4.303 1.00 0.00 H new ATOM 0 HG SER A 10 -11.708 9.048 -4.151 1.00 0.00 H new ATOM 152 N GLU A 11 -9.664 5.753 -6.151 1.00 0.00 N ATOM 153 CA GLU A 11 -8.326 5.560 -6.708 1.00 0.00 C ATOM 154 C GLU A 11 -8.088 6.559 -7.819 1.00 0.00 C ATOM 155 O GLU A 11 -9.025 7.265 -8.158 1.00 0.00 O ATOM 156 CB GLU A 11 -8.287 4.124 -7.292 1.00 0.00 C ATOM 157 CG GLU A 11 -8.625 3.045 -6.227 1.00 0.00 C ATOM 158 CD GLU A 11 -8.513 1.663 -6.820 1.00 0.00 C ATOM 159 OE1 GLU A 11 -9.108 1.440 -7.908 1.00 0.00 O ATOM 160 OE2 GLU A 11 -7.837 0.790 -6.211 1.00 0.00 O ATOM 0 H GLU A 11 -10.389 5.935 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.560 5.700 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.995 4.051 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.297 3.928 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.948 3.139 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.635 3.204 -5.848 1.00 0.00 H new ATOM 167 N LYS A 12 -6.859 6.622 -8.391 1.00 0.00 N ATOM 168 CA LYS A 12 -6.571 7.547 -9.492 1.00 0.00 C ATOM 169 C LYS A 12 -6.169 6.788 -10.743 1.00 0.00 C ATOM 170 O LYS A 12 -6.863 6.924 -11.739 1.00 0.00 O ATOM 171 CB LYS A 12 -5.472 8.549 -9.040 1.00 0.00 C ATOM 172 CG LYS A 12 -5.030 9.543 -10.151 1.00 0.00 C ATOM 173 CD LYS A 12 -6.132 10.497 -10.701 1.00 0.00 C ATOM 174 CE LYS A 12 -6.741 11.476 -9.651 1.00 0.00 C ATOM 175 NZ LYS A 12 -7.988 10.997 -9.005 1.00 0.00 N ATOM 0 H LYS A 12 -6.067 6.046 -8.105 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.470 8.110 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.840 9.116 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.601 7.989 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.214 10.151 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.628 8.968 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.710 11.082 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.936 9.894 -11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.997 11.666 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.944 12.430 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.321 11.709 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.718 10.843 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.800 10.103 -8.508 1.00 0.00 H new ATOM 189 N ASN A 13 -5.064 6.000 -10.723 1.00 0.00 N ATOM 190 CA ASN A 13 -4.606 5.274 -11.916 1.00 0.00 C ATOM 191 C ASN A 13 -4.435 3.801 -11.610 1.00 0.00 C ATOM 192 O ASN A 13 -3.542 3.155 -12.137 1.00 0.00 O ATOM 193 CB ASN A 13 -3.277 5.913 -12.407 1.00 0.00 C ATOM 194 CG ASN A 13 -3.118 5.873 -13.910 1.00 0.00 C ATOM 195 OD1 ASN A 13 -3.742 5.047 -14.557 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.281 6.755 -14.502 1.00 0.00 N ATOM 0 H ASN A 13 -4.484 5.857 -9.897 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.351 5.351 -12.708 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.233 6.949 -12.071 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.438 5.392 -11.945 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.158 6.741 -15.515 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.772 7.434 -13.936 1.00 0.00 H new ATOM 203 N TYR A 14 -5.311 3.265 -10.736 1.00 0.00 N ATOM 204 CA TYR A 14 -5.196 1.873 -10.304 1.00 0.00 C ATOM 205 C TYR A 14 -5.213 0.897 -11.455 1.00 0.00 C ATOM 206 O TYR A 14 -4.322 0.065 -11.529 1.00 0.00 O ATOM 207 CB TYR A 14 -6.375 1.585 -9.344 1.00 0.00 C ATOM 208 CG TYR A 14 -6.628 0.108 -9.083 1.00 0.00 C ATOM 209 CD1 TYR A 14 -5.875 -0.572 -8.124 1.00 0.00 C ATOM 210 CD2 TYR A 14 -7.645 -0.552 -9.776 1.00 0.00 C ATOM 211 CE1 TYR A 14 -6.265 -1.851 -7.730 1.00 0.00 C ATOM 212 CE2 TYR A 14 -7.996 -1.851 -9.416 1.00 0.00 C ATOM 213 CZ TYR A 14 -7.285 -2.518 -8.413 1.00 0.00 C ATOM 214 OH TYR A 14 -7.568 -3.837 -8.071 1.00 0.00 O ATOM 0 H TYR A 14 -6.093 3.774 -10.325 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.234 1.738 -9.810 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.183 2.082 -8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.281 2.029 -9.758 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.999 -0.112 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.157 -0.057 -10.588 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.777 -2.328 -6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.819 -2.344 -9.912 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.482 -4.058 -8.348 1.00 0.00 H new ATOM 224 N ASP A 15 -6.219 0.957 -12.354 1.00 0.00 N ATOM 225 CA ASP A 15 -6.298 -0.054 -13.405 1.00 0.00 C ATOM 226 C ASP A 15 -5.010 -0.115 -14.191 1.00 0.00 C ATOM 227 O ASP A 15 -4.428 -1.184 -14.281 1.00 0.00 O ATOM 228 CB ASP A 15 -7.471 0.194 -14.389 1.00 0.00 C ATOM 229 CG ASP A 15 -8.774 -0.209 -13.745 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.278 0.568 -12.895 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.301 -1.306 -14.079 1.00 0.00 O ATOM 0 H ASP A 15 -6.953 1.665 -12.369 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.474 -1.002 -12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.505 1.246 -14.671 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.316 -0.376 -15.305 1.00 0.00 H new ATOM 236 N GLU A 16 -4.556 1.014 -14.779 1.00 0.00 N ATOM 237 CA GLU A 16 -3.370 0.952 -15.630 1.00 0.00 C ATOM 238 C GLU A 16 -2.181 0.482 -14.826 1.00 0.00 C ATOM 239 O GLU A 16 -1.519 -0.460 -15.231 1.00 0.00 O ATOM 240 CB GLU A 16 -2.988 2.284 -16.333 1.00 0.00 C ATOM 241 CG GLU A 16 -4.149 2.885 -17.169 1.00 0.00 C ATOM 242 CD GLU A 16 -3.631 4.014 -18.023 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.261 5.073 -17.446 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.587 3.854 -19.273 1.00 0.00 O ATOM 0 H GLU A 16 -4.978 1.937 -14.681 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.634 0.250 -16.421 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.677 3.009 -15.581 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.131 2.112 -16.984 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.593 2.114 -17.799 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.936 3.248 -16.508 1.00 0.00 H new ATOM 251 N PHE A 17 -1.889 1.111 -13.668 1.00 0.00 N ATOM 252 CA PHE A 17 -0.785 0.623 -12.842 1.00 0.00 C ATOM 253 C PHE A 17 -0.793 -0.878 -12.732 1.00 0.00 C ATOM 254 O PHE A 17 0.268 -1.475 -12.781 1.00 0.00 O ATOM 255 CB PHE A 17 -0.915 1.180 -11.407 1.00 0.00 C ATOM 256 CG PHE A 17 0.285 0.815 -10.526 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.485 1.489 -10.772 1.00 0.00 C ATOM 258 CD2 PHE A 17 0.197 -0.112 -9.481 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.582 1.279 -9.940 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.289 -0.287 -8.626 1.00 0.00 C ATOM 261 CZ PHE A 17 2.499 0.354 -8.901 1.00 0.00 C ATOM 0 H PHE A 17 -2.384 1.924 -13.302 1.00 0.00 H new ATOM 0 HA PHE A 17 0.137 0.954 -13.320 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.014 2.265 -11.449 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.827 0.794 -10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.561 2.171 -11.606 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.706 -0.687 -9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.496 1.832 -10.100 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.197 -0.917 -7.754 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.373 0.132 -8.307 1.00 0.00 H new ATOM 271 N MET A 18 -1.982 -1.501 -12.589 1.00 0.00 N ATOM 272 CA MET A 18 -2.035 -2.945 -12.418 1.00 0.00 C ATOM 273 C MET A 18 -1.941 -3.648 -13.751 1.00 0.00 C ATOM 274 O MET A 18 -1.382 -4.735 -13.778 1.00 0.00 O ATOM 275 CB MET A 18 -3.318 -3.388 -11.678 1.00 0.00 C ATOM 276 CG MET A 18 -3.312 -2.997 -10.178 1.00 0.00 C ATOM 277 SD MET A 18 -4.652 -3.906 -9.344 1.00 0.00 S ATOM 278 CE MET A 18 -3.910 -4.189 -7.708 1.00 0.00 C ATOM 0 H MET A 18 -2.888 -1.032 -12.590 1.00 0.00 H new ATOM 0 HA MET A 18 -1.178 -3.227 -11.806 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.185 -2.938 -12.162 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.428 -4.469 -11.767 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.350 -3.240 -9.726 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.455 -1.922 -10.065 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.612 -4.737 -7.080 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.994 -4.769 -7.819 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.679 -3.231 -7.243 1.00 0.00 H new ATOM 288 N LYS A 19 -2.460 -3.072 -14.862 1.00 0.00 N ATOM 289 CA LYS A 19 -2.339 -3.760 -16.145 1.00 0.00 C ATOM 290 C LYS A 19 -0.892 -4.095 -16.415 1.00 0.00 C ATOM 291 O LYS A 19 -0.643 -5.131 -17.012 1.00 0.00 O ATOM 292 CB LYS A 19 -3.012 -3.042 -17.357 1.00 0.00 C ATOM 293 CG LYS A 19 -2.135 -1.986 -18.084 1.00 0.00 C ATOM 294 CD LYS A 19 -2.673 -1.563 -19.487 1.00 0.00 C ATOM 295 CE LYS A 19 -4.114 -0.970 -19.517 1.00 0.00 C ATOM 296 NZ LYS A 19 -5.185 -1.968 -19.758 1.00 0.00 N ATOM 0 H LYS A 19 -2.943 -2.174 -14.888 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.916 -4.680 -16.045 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.314 -3.798 -18.082 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.922 -2.554 -17.007 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.057 -1.099 -17.455 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.127 -2.384 -18.199 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.990 -0.826 -19.909 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.646 -2.434 -20.142 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.307 -0.470 -18.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.163 -0.208 -20.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.109 -1.491 -19.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.029 -2.430 -20.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.169 -2.684 -19.004 1.00 0.00 H new ATOM 310 N LEU A 20 0.054 -3.226 -15.979 1.00 0.00 N ATOM 311 CA LEU A 20 1.478 -3.466 -16.222 1.00 0.00 C ATOM 312 C LEU A 20 2.296 -3.676 -14.961 1.00 0.00 C ATOM 313 O LEU A 20 3.487 -3.906 -15.100 1.00 0.00 O ATOM 314 CB LEU A 20 2.044 -2.416 -17.223 1.00 0.00 C ATOM 315 CG LEU A 20 1.717 -0.926 -16.904 1.00 0.00 C ATOM 316 CD1 LEU A 20 2.278 -0.494 -15.524 1.00 0.00 C ATOM 317 CD2 LEU A 20 2.284 -0.016 -18.028 1.00 0.00 C ATOM 0 H LEU A 20 -0.150 -2.368 -15.466 1.00 0.00 H new ATOM 0 HA LEU A 20 1.575 -4.435 -16.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.127 -2.529 -17.264 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.661 -2.647 -18.217 1.00 0.00 H new ATOM 0 HG LEU A 20 0.633 -0.820 -16.859 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.028 0.551 -15.341 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.839 -1.115 -14.743 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.361 -0.614 -15.518 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.054 1.026 -17.803 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.365 -0.144 -18.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.831 -0.290 -18.981 1.00 0.00 H new ATOM 329 N LEU A 21 1.719 -3.654 -13.735 1.00 0.00 N ATOM 330 CA LEU A 21 2.447 -4.178 -12.577 1.00 0.00 C ATOM 331 C LEU A 21 2.479 -5.678 -12.781 1.00 0.00 C ATOM 332 O LEU A 21 3.544 -6.265 -12.669 1.00 0.00 O ATOM 333 CB LEU A 21 1.741 -3.833 -11.234 1.00 0.00 C ATOM 334 CG LEU A 21 2.532 -4.159 -9.933 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.757 -3.221 -9.743 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.575 -3.990 -8.720 1.00 0.00 C ATOM 0 H LEU A 21 0.787 -3.292 -13.536 1.00 0.00 H new ATOM 0 HA LEU A 21 3.442 -3.738 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.508 -2.768 -11.234 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.792 -4.367 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 21 2.904 -5.181 -10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.278 -3.485 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.435 -3.332 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.418 -2.187 -9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.112 -4.215 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.209 -2.964 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.732 -4.673 -8.824 1.00 0.00 H new ATOM 348 N GLY A 22 1.309 -6.290 -13.102 1.00 0.00 N ATOM 349 CA GLY A 22 1.244 -7.709 -13.450 1.00 0.00 C ATOM 350 C GLY A 22 0.119 -8.398 -12.708 1.00 0.00 C ATOM 351 O GLY A 22 0.416 -9.290 -11.928 1.00 0.00 O ATOM 0 H GLY A 22 0.408 -5.813 -13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.096 -7.817 -14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.192 -8.190 -13.209 1.00 0.00 H new ATOM 355 N ILE A 23 -1.160 -8.003 -12.937 1.00 0.00 N ATOM 356 CA ILE A 23 -2.291 -8.576 -12.198 1.00 0.00 C ATOM 357 C ILE A 23 -3.335 -9.035 -13.194 1.00 0.00 C ATOM 358 O ILE A 23 -3.345 -8.522 -14.302 1.00 0.00 O ATOM 359 CB ILE A 23 -2.908 -7.503 -11.255 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.828 -6.716 -10.456 1.00 0.00 C ATOM 361 CG2 ILE A 23 -4.007 -8.067 -10.311 1.00 0.00 C ATOM 362 CD1 ILE A 23 -1.069 -7.561 -9.401 1.00 0.00 C ATOM 0 H ILE A 23 -1.422 -7.296 -13.624 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.949 -9.418 -11.596 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.404 -6.796 -11.920 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.106 -6.300 -11.158 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.306 -5.875 -9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.393 -7.265 -9.682 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.819 -8.484 -10.906 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.580 -8.848 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.336 -6.935 -8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.778 -7.956 -8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.559 -8.387 -9.896 1.00 0.00 H new ATOM 374 N SER A 24 -4.211 -9.999 -12.824 1.00 0.00 N ATOM 375 CA SER A 24 -5.182 -10.535 -13.782 1.00 0.00 C ATOM 376 C SER A 24 -6.400 -9.653 -13.944 1.00 0.00 C ATOM 377 O SER A 24 -6.761 -8.997 -12.981 1.00 0.00 O ATOM 378 CB SER A 24 -5.620 -11.964 -13.358 1.00 0.00 C ATOM 379 OG SER A 24 -6.394 -12.631 -14.369 1.00 0.00 O ATOM 0 H SER A 24 -4.259 -10.407 -11.891 1.00 0.00 H new ATOM 0 HA SER A 24 -4.681 -10.569 -14.749 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.735 -12.559 -13.133 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.205 -11.903 -12.440 1.00 0.00 H new ATOM 0 HG SER A 24 -7.347 -12.457 -14.219 1.00 0.00 H new ATOM 385 N SER A 25 -7.046 -9.630 -15.140 1.00 0.00 N ATOM 386 CA SER A 25 -8.223 -8.781 -15.363 1.00 0.00 C ATOM 387 C SER A 25 -9.447 -9.311 -14.641 1.00 0.00 C ATOM 388 O SER A 25 -10.390 -9.765 -15.269 1.00 0.00 O ATOM 389 CB SER A 25 -8.514 -8.576 -16.878 1.00 0.00 C ATOM 390 OG SER A 25 -9.024 -9.758 -17.522 1.00 0.00 O ATOM 0 H SER A 25 -6.768 -10.186 -15.949 1.00 0.00 H new ATOM 0 HA SER A 25 -7.987 -7.805 -14.939 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.234 -7.766 -16.997 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.597 -8.264 -17.379 1.00 0.00 H new ATOM 0 HG SER A 25 -9.749 -10.138 -16.982 1.00 0.00 H new ATOM 396 N ASP A 26 -9.435 -9.229 -13.294 1.00 0.00 N ATOM 397 CA ASP A 26 -10.571 -9.639 -12.468 1.00 0.00 C ATOM 398 C ASP A 26 -10.270 -9.242 -11.037 1.00 0.00 C ATOM 399 O ASP A 26 -11.037 -8.493 -10.454 1.00 0.00 O ATOM 400 CB ASP A 26 -10.900 -11.150 -12.598 1.00 0.00 C ATOM 401 CG ASP A 26 -9.650 -11.989 -12.566 1.00 0.00 C ATOM 402 OD1 ASP A 26 -9.016 -12.153 -13.642 1.00 0.00 O ATOM 403 OD2 ASP A 26 -9.290 -12.488 -11.465 1.00 0.00 O ATOM 0 H ASP A 26 -8.640 -8.878 -12.760 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.470 -9.131 -12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.563 -11.451 -11.787 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.436 -11.328 -13.530 1.00 0.00 H new ATOM 408 N VAL A 27 -9.129 -9.699 -10.471 1.00 0.00 N ATOM 409 CA VAL A 27 -8.689 -9.169 -9.183 1.00 0.00 C ATOM 410 C VAL A 27 -8.589 -7.667 -9.320 1.00 0.00 C ATOM 411 O VAL A 27 -9.012 -6.967 -8.413 1.00 0.00 O ATOM 412 CB VAL A 27 -7.320 -9.771 -8.748 1.00 0.00 C ATOM 413 CG1 VAL A 27 -6.716 -8.991 -7.548 1.00 0.00 C ATOM 414 CG2 VAL A 27 -7.481 -11.275 -8.388 1.00 0.00 C ATOM 0 H VAL A 27 -8.522 -10.410 -10.878 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.407 -9.442 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.632 -9.680 -9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.761 -9.436 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.562 -7.950 -7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.400 -9.039 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.516 -11.682 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.191 -11.379 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.849 -11.820 -9.258 1.00 0.00 H new ATOM 424 N ILE A 28 -8.048 -7.160 -10.455 1.00 0.00 N ATOM 425 CA ILE A 28 -8.032 -5.721 -10.689 1.00 0.00 C ATOM 426 C ILE A 28 -9.429 -5.211 -10.406 1.00 0.00 C ATOM 427 O ILE A 28 -9.621 -4.455 -9.468 1.00 0.00 O ATOM 428 CB ILE A 28 -7.568 -5.289 -12.121 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.102 -5.740 -12.395 1.00 0.00 C ATOM 430 CG2 ILE A 28 -7.692 -3.744 -12.264 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.599 -5.505 -13.843 1.00 0.00 C ATOM 0 H ILE A 28 -7.630 -7.721 -11.197 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.286 -5.283 -10.026 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.210 -5.775 -12.856 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.442 -5.211 -11.708 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.017 -6.802 -12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.369 -3.444 -13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.730 -3.447 -12.114 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.064 -3.258 -11.517 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.569 -5.852 -13.931 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.229 -6.057 -14.541 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.645 -4.441 -14.076 1.00 0.00 H new ATOM 443 N GLU A 29 -10.445 -5.622 -11.191 1.00 0.00 N ATOM 444 CA GLU A 29 -11.772 -5.031 -11.012 1.00 0.00 C ATOM 445 C GLU A 29 -12.216 -5.075 -9.564 1.00 0.00 C ATOM 446 O GLU A 29 -12.940 -4.180 -9.151 1.00 0.00 O ATOM 447 CB GLU A 29 -12.860 -5.758 -11.850 1.00 0.00 C ATOM 448 CG GLU A 29 -12.628 -5.682 -13.386 1.00 0.00 C ATOM 449 CD GLU A 29 -12.426 -4.257 -13.834 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.442 -3.521 -13.957 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.249 -3.860 -14.060 1.00 0.00 O ATOM 0 H GLU A 29 -10.374 -6.330 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.673 -3.999 -11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.897 -6.805 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.833 -5.325 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.756 -6.278 -13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.482 -6.113 -13.908 1.00 0.00 H new ATOM 458 N LYS A 30 -11.809 -6.097 -8.776 1.00 0.00 N ATOM 459 CA LYS A 30 -12.321 -6.198 -7.414 1.00 0.00 C ATOM 460 C LYS A 30 -11.806 -5.051 -6.579 1.00 0.00 C ATOM 461 O LYS A 30 -12.611 -4.203 -6.233 1.00 0.00 O ATOM 462 CB LYS A 30 -12.033 -7.561 -6.722 1.00 0.00 C ATOM 463 CG LYS A 30 -12.787 -8.730 -7.415 1.00 0.00 C ATOM 464 CD LYS A 30 -12.405 -10.102 -6.797 1.00 0.00 C ATOM 465 CE LYS A 30 -13.100 -11.300 -7.504 1.00 0.00 C ATOM 466 NZ LYS A 30 -12.678 -11.483 -8.915 1.00 0.00 N ATOM 0 H LYS A 30 -11.155 -6.829 -9.055 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.407 -6.140 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.961 -7.758 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.330 -7.507 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.862 -8.576 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.555 -8.733 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.324 -10.231 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.672 -10.106 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.886 -12.213 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.180 -11.153 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.179 -12.297 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.906 -10.627 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.653 -11.654 -8.951 1.00 0.00 H new ATOM 480 N ALA A 31 -10.500 -4.986 -6.230 1.00 0.00 N ATOM 481 CA ALA A 31 -10.075 -4.013 -5.218 1.00 0.00 C ATOM 482 C ALA A 31 -10.568 -2.618 -5.521 1.00 0.00 C ATOM 483 O ALA A 31 -10.731 -1.850 -4.586 1.00 0.00 O ATOM 484 CB ALA A 31 -8.548 -3.932 -4.966 1.00 0.00 C ATOM 0 H ALA A 31 -9.759 -5.570 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.535 -4.403 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.345 -3.183 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.183 -4.902 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.041 -3.654 -5.890 1.00 0.00 H new ATOM 490 N ARG A 32 -10.818 -2.263 -6.803 1.00 0.00 N ATOM 491 CA ARG A 32 -11.364 -0.938 -7.073 1.00 0.00 C ATOM 492 C ARG A 32 -12.701 -0.804 -6.378 1.00 0.00 C ATOM 493 O ARG A 32 -12.822 0.038 -5.501 1.00 0.00 O ATOM 494 CB ARG A 32 -11.455 -0.623 -8.593 1.00 0.00 C ATOM 495 CG ARG A 32 -12.297 0.652 -8.870 1.00 0.00 C ATOM 496 CD ARG A 32 -12.097 1.173 -10.322 1.00 0.00 C ATOM 497 NE ARG A 32 -10.877 1.975 -10.474 1.00 0.00 N ATOM 498 CZ ARG A 32 -10.570 2.626 -11.578 1.00 0.00 C ATOM 499 NH1 ARG A 32 -11.300 2.561 -12.669 1.00 0.00 N ATOM 500 NH2 ARG A 32 -9.488 3.372 -11.599 1.00 0.00 N ATOM 0 H ARG A 32 -10.656 -2.851 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.678 -0.192 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.451 -0.490 -8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.899 -1.472 -9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.352 0.434 -8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.018 1.433 -8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.057 0.325 -11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.960 1.774 -10.610 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.234 2.031 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.144 1.989 -12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.022 3.083 -13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.900 3.441 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.237 3.882 -12.446 1.00 0.00 H new ATOM 514 N ASN A 33 -13.718 -1.617 -6.742 1.00 0.00 N ATOM 515 CA ASN A 33 -15.011 -1.495 -6.067 1.00 0.00 C ATOM 516 C ASN A 33 -14.890 -2.041 -4.660 1.00 0.00 C ATOM 517 O ASN A 33 -15.234 -1.353 -3.711 1.00 0.00 O ATOM 518 CB ASN A 33 -16.134 -2.243 -6.835 1.00 0.00 C ATOM 519 CG ASN A 33 -17.440 -2.142 -6.084 1.00 0.00 C ATOM 520 OD1 ASN A 33 -17.854 -3.119 -5.480 1.00 0.00 O ATOM 521 ND2 ASN A 33 -18.110 -0.968 -6.095 1.00 0.00 N ATOM 0 H ASN A 33 -13.667 -2.332 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.284 -0.440 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.247 -1.818 -7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.861 -3.290 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -18.991 -0.879 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.735 -0.172 -6.610 1.00 0.00 H new ATOM 528 N PHE A 34 -14.399 -3.293 -4.522 1.00 0.00 N ATOM 529 CA PHE A 34 -14.272 -3.918 -3.205 1.00 0.00 C ATOM 530 C PHE A 34 -13.410 -3.054 -2.309 1.00 0.00 C ATOM 531 O PHE A 34 -12.242 -2.888 -2.620 1.00 0.00 O ATOM 532 CB PHE A 34 -13.640 -5.331 -3.353 1.00 0.00 C ATOM 533 CG PHE A 34 -13.162 -5.993 -2.052 1.00 0.00 C ATOM 534 CD1 PHE A 34 -13.889 -5.887 -0.860 1.00 0.00 C ATOM 535 CD2 PHE A 34 -11.974 -6.735 -2.065 1.00 0.00 C ATOM 536 CE1 PHE A 34 -13.461 -6.559 0.289 1.00 0.00 C ATOM 537 CE2 PHE A 34 -11.559 -7.429 -0.928 1.00 0.00 C ATOM 538 CZ PHE A 34 -12.321 -7.364 0.241 1.00 0.00 C ATOM 0 H PHE A 34 -14.091 -3.876 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.260 -4.017 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -14.372 -5.987 -3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.792 -5.259 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.784 -5.284 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.374 -6.770 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.011 -6.456 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.652 -8.014 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.028 -7.937 1.108 1.00 0.00 H new ATOM 548 N LYS A 35 -13.956 -2.495 -1.202 1.00 0.00 N ATOM 549 CA LYS A 35 -13.152 -1.633 -0.338 1.00 0.00 C ATOM 550 C LYS A 35 -12.217 -2.512 0.467 1.00 0.00 C ATOM 551 O LYS A 35 -12.663 -3.091 1.446 1.00 0.00 O ATOM 552 CB LYS A 35 -14.037 -0.778 0.615 1.00 0.00 C ATOM 553 CG LYS A 35 -14.922 0.239 -0.163 1.00 0.00 C ATOM 554 CD LYS A 35 -15.991 0.937 0.729 1.00 0.00 C ATOM 555 CE LYS A 35 -15.387 1.720 1.926 1.00 0.00 C ATOM 556 NZ LYS A 35 -16.416 2.485 2.667 1.00 0.00 N ATOM 0 H LYS A 35 -14.922 -2.627 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.589 -0.936 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.675 -1.436 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.399 -0.240 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.281 0.998 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.424 -0.278 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.574 1.623 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.682 0.185 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.896 1.022 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.620 2.403 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.969 2.992 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.868 3.169 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.135 1.831 3.038 1.00 0.00 H new ATOM 570 N ILE A 36 -10.921 -2.625 0.087 1.00 0.00 N ATOM 571 CA ILE A 36 -9.975 -3.392 0.902 1.00 0.00 C ATOM 572 C ILE A 36 -9.734 -2.588 2.161 1.00 0.00 C ATOM 573 O ILE A 36 -9.756 -1.370 2.079 1.00 0.00 O ATOM 574 CB ILE A 36 -8.669 -3.745 0.114 1.00 0.00 C ATOM 575 CG1 ILE A 36 -8.993 -4.853 -0.937 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.498 -4.166 1.045 1.00 0.00 C ATOM 577 CD1 ILE A 36 -7.770 -5.335 -1.760 1.00 0.00 C ATOM 0 H ILE A 36 -10.525 -2.205 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.384 -4.366 1.169 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.326 -2.846 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.428 -5.709 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.751 -4.475 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.620 -4.399 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.264 -3.349 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.788 -5.046 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.086 -6.104 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.345 -4.493 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.018 -5.747 -1.087 1.00 0.00 H new ATOM 589 N VAL A 37 -9.520 -3.250 3.325 1.00 0.00 N ATOM 590 CA VAL A 37 -9.331 -2.537 4.587 1.00 0.00 C ATOM 591 C VAL A 37 -7.853 -2.449 4.839 1.00 0.00 C ATOM 592 O VAL A 37 -7.117 -3.267 4.312 1.00 0.00 O ATOM 593 CB VAL A 37 -10.090 -3.231 5.752 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.843 -2.609 7.156 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.605 -3.174 5.454 1.00 0.00 C ATOM 0 H VAL A 37 -9.476 -4.266 3.403 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.751 -1.533 4.525 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.706 -4.250 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.414 -3.160 7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.781 -2.665 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.160 -1.566 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.153 -3.657 6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.921 -2.134 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.811 -3.691 4.517 1.00 0.00 H new ATOM 605 N THR A 38 -7.413 -1.451 5.634 1.00 0.00 N ATOM 606 CA THR A 38 -5.992 -1.268 5.882 1.00 0.00 C ATOM 607 C THR A 38 -5.774 -0.863 7.314 1.00 0.00 C ATOM 608 O THR A 38 -6.370 0.121 7.710 1.00 0.00 O ATOM 609 CB THR A 38 -5.377 -0.241 4.893 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.294 -0.805 3.571 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.945 0.167 5.328 1.00 0.00 C ATOM 0 H THR A 38 -8.019 -0.777 6.102 1.00 0.00 H new ATOM 0 HA THR A 38 -5.479 -2.215 5.712 1.00 0.00 H new ATOM 0 HB THR A 38 -6.025 0.635 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.906 -0.146 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.540 0.887 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.981 0.618 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.307 -0.716 5.353 1.00 0.00 H new ATOM 619 N GLU A 39 -4.929 -1.590 8.081 1.00 0.00 N ATOM 620 CA GLU A 39 -4.579 -1.181 9.436 1.00 0.00 C ATOM 621 C GLU A 39 -3.097 -0.919 9.455 1.00 0.00 C ATOM 622 O GLU A 39 -2.398 -1.505 8.643 1.00 0.00 O ATOM 623 CB GLU A 39 -4.869 -2.318 10.452 1.00 0.00 C ATOM 624 CG GLU A 39 -6.392 -2.507 10.664 1.00 0.00 C ATOM 625 CD GLU A 39 -6.706 -3.780 11.407 1.00 0.00 C ATOM 626 OE1 GLU A 39 -5.969 -4.106 12.376 1.00 0.00 O ATOM 627 OE2 GLU A 39 -7.694 -4.468 11.029 1.00 0.00 O ATOM 0 H GLU A 39 -4.486 -2.456 7.775 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.163 -0.303 9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.431 -3.250 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.393 -2.088 11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.789 -1.657 11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.894 -2.519 9.696 1.00 0.00 H new ATOM 634 N VAL A 40 -2.614 -0.059 10.381 1.00 0.00 N ATOM 635 CA VAL A 40 -1.177 0.148 10.514 1.00 0.00 C ATOM 636 C VAL A 40 -0.849 0.287 11.980 1.00 0.00 C ATOM 637 O VAL A 40 -1.665 0.859 12.685 1.00 0.00 O ATOM 638 CB VAL A 40 -0.712 1.427 9.765 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.834 1.535 9.780 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.207 1.426 8.297 1.00 0.00 C ATOM 0 H VAL A 40 -3.190 0.483 11.025 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.660 -0.705 10.075 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.142 2.284 10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.141 2.437 9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.185 1.582 10.811 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.264 0.662 9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.867 2.333 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.807 0.554 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.296 1.390 8.280 1.00 0.00 H new ATOM 650 N GLN A 41 0.320 -0.210 12.448 1.00 0.00 N ATOM 651 CA GLN A 41 0.722 0.022 13.832 1.00 0.00 C ATOM 652 C GLN A 41 2.227 0.149 13.847 1.00 0.00 C ATOM 653 O GLN A 41 2.885 -0.874 13.743 1.00 0.00 O ATOM 654 CB GLN A 41 0.231 -1.104 14.780 1.00 0.00 C ATOM 655 CG GLN A 41 -1.316 -1.203 14.851 1.00 0.00 C ATOM 656 CD GLN A 41 -1.730 -2.256 15.852 1.00 0.00 C ATOM 657 OE1 GLN A 41 -2.161 -3.325 15.446 1.00 0.00 O ATOM 658 NE2 GLN A 41 -1.608 -1.984 17.170 1.00 0.00 N ATOM 0 H GLN A 41 0.978 -0.759 11.895 1.00 0.00 H new ATOM 0 HA GLN A 41 0.260 0.936 14.206 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.636 -2.058 14.443 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.625 -0.927 15.781 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.736 -0.238 15.134 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.717 -1.449 13.868 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.244 -1.080 17.473 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.880 -2.682 17.862 1.00 0.00 H new ATOM 667 N GLN A 42 2.797 1.374 13.946 1.00 0.00 N ATOM 668 CA GLN A 42 4.250 1.503 13.864 1.00 0.00 C ATOM 669 C GLN A 42 4.919 0.780 15.010 1.00 0.00 C ATOM 670 O GLN A 42 4.242 0.436 15.966 1.00 0.00 O ATOM 671 CB GLN A 42 4.768 2.970 13.770 1.00 0.00 C ATOM 672 CG GLN A 42 4.892 3.730 15.123 1.00 0.00 C ATOM 673 CD GLN A 42 3.582 4.052 15.801 1.00 0.00 C ATOM 674 OE1 GLN A 42 3.148 5.191 15.719 1.00 0.00 O ATOM 675 NE2 GLN A 42 2.923 3.090 16.484 1.00 0.00 N ATOM 0 H GLN A 42 2.287 2.248 14.077 1.00 0.00 H new ATOM 0 HA GLN A 42 4.525 1.034 12.919 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.746 2.960 13.289 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.098 3.531 13.119 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.498 3.132 15.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.432 4.661 14.950 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.308 2.147 16.536 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.040 3.307 16.947 1.00 0.00 H new ATOM 684 N ASP A 43 6.250 0.562 14.933 1.00 0.00 N ATOM 685 CA ASP A 43 6.979 -0.064 16.032 1.00 0.00 C ATOM 686 C ASP A 43 8.390 0.475 16.014 1.00 0.00 C ATOM 687 O ASP A 43 9.333 -0.286 15.860 1.00 0.00 O ATOM 688 CB ASP A 43 6.907 -1.596 15.822 1.00 0.00 C ATOM 689 CG ASP A 43 7.613 -2.342 16.924 1.00 0.00 C ATOM 690 OD1 ASP A 43 7.169 -2.226 18.098 1.00 0.00 O ATOM 691 OD2 ASP A 43 8.615 -3.049 16.629 1.00 0.00 O ATOM 0 H ASP A 43 6.826 0.810 14.128 1.00 0.00 H new ATOM 0 HA ASP A 43 6.556 0.158 17.012 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.864 -1.909 15.781 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.356 -1.854 14.863 1.00 0.00 H new ATOM 696 N GLY A 44 8.540 1.813 16.148 1.00 0.00 N ATOM 697 CA GLY A 44 9.862 2.406 16.009 1.00 0.00 C ATOM 698 C GLY A 44 10.282 2.321 14.563 1.00 0.00 C ATOM 699 O GLY A 44 9.434 2.319 13.684 1.00 0.00 O ATOM 0 H GLY A 44 7.785 2.470 16.345 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.846 3.445 16.337 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.579 1.883 16.642 1.00 0.00 H new ATOM 703 N GLN A 45 11.607 2.253 14.321 1.00 0.00 N ATOM 704 CA GLN A 45 12.122 2.044 12.965 1.00 0.00 C ATOM 705 C GLN A 45 11.409 0.871 12.319 1.00 0.00 C ATOM 706 O GLN A 45 11.179 0.930 11.122 1.00 0.00 O ATOM 707 CB GLN A 45 13.664 1.827 13.053 1.00 0.00 C ATOM 708 CG GLN A 45 14.376 1.954 11.684 1.00 0.00 C ATOM 709 CD GLN A 45 15.868 1.726 11.776 1.00 0.00 C ATOM 710 OE1 GLN A 45 16.624 2.647 11.504 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.332 0.514 12.151 1.00 0.00 N ATOM 0 H GLN A 45 12.326 2.339 15.040 1.00 0.00 H new ATOM 0 HA GLN A 45 11.933 2.914 12.336 1.00 0.00 H new ATOM 0 HB2 GLN A 45 14.088 2.555 13.745 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.862 0.839 13.468 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.945 1.234 10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.189 2.946 11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.678 -0.237 12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.337 0.349 12.213 1.00 0.00 H new ATOM 720 N ASP A 46 11.026 -0.191 13.071 1.00 0.00 N ATOM 721 CA ASP A 46 10.212 -1.253 12.474 1.00 0.00 C ATOM 722 C ASP A 46 8.771 -0.803 12.350 1.00 0.00 C ATOM 723 O ASP A 46 8.336 -0.044 13.199 1.00 0.00 O ATOM 724 CB ASP A 46 10.282 -2.586 13.259 1.00 0.00 C ATOM 725 CG ASP A 46 9.378 -3.626 12.643 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.697 -4.106 11.521 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.339 -3.969 13.269 1.00 0.00 O ATOM 0 H ASP A 46 11.262 -0.324 14.054 1.00 0.00 H new ATOM 0 HA ASP A 46 10.628 -1.444 11.485 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.309 -2.952 13.270 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.993 -2.417 14.296 1.00 0.00 H new ATOM 732 N PHE A 47 8.022 -1.258 11.314 1.00 0.00 N ATOM 733 CA PHE A 47 6.589 -0.961 11.202 1.00 0.00 C ATOM 734 C PHE A 47 5.859 -2.283 11.200 1.00 0.00 C ATOM 735 O PHE A 47 6.522 -3.293 11.037 1.00 0.00 O ATOM 736 CB PHE A 47 6.222 -0.240 9.876 1.00 0.00 C ATOM 737 CG PHE A 47 6.516 1.273 9.861 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.767 1.774 10.238 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.531 2.180 9.448 1.00 0.00 C ATOM 740 CE1 PHE A 47 8.014 3.151 10.236 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.821 3.539 9.305 1.00 0.00 C ATOM 742 CZ PHE A 47 7.053 4.033 9.738 1.00 0.00 C ATOM 0 H PHE A 47 8.393 -1.828 10.553 1.00 0.00 H new ATOM 0 HA PHE A 47 6.316 -0.308 12.031 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.769 -0.710 9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.161 -0.392 9.678 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.550 1.091 10.533 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.534 1.823 9.237 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.949 3.532 10.620 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.095 4.205 8.861 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.261 5.092 9.688 1.00 0.00 H new ATOM 752 N THR A 48 4.512 -2.294 11.361 1.00 0.00 N ATOM 753 CA THR A 48 3.757 -3.546 11.292 1.00 0.00 C ATOM 754 C THR A 48 2.518 -3.227 10.477 1.00 0.00 C ATOM 755 O THR A 48 1.436 -3.059 11.016 1.00 0.00 O ATOM 756 CB THR A 48 3.486 -4.097 12.729 1.00 0.00 C ATOM 757 OG1 THR A 48 2.238 -3.619 13.256 1.00 0.00 O ATOM 758 CG2 THR A 48 4.606 -3.687 13.725 1.00 0.00 C ATOM 0 H THR A 48 3.947 -1.463 11.535 1.00 0.00 H new ATOM 0 HA THR A 48 4.297 -4.357 10.803 1.00 0.00 H new ATOM 0 HB THR A 48 3.457 -5.182 12.628 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.850 -2.966 12.636 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.380 -4.090 14.712 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.561 -4.083 13.381 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.663 -2.600 13.781 1.00 0.00 H new ATOM 766 N TRP A 49 2.668 -3.100 9.139 1.00 0.00 N ATOM 767 CA TRP A 49 1.547 -2.637 8.318 1.00 0.00 C ATOM 768 C TRP A 49 0.629 -3.795 8.030 1.00 0.00 C ATOM 769 O TRP A 49 1.086 -4.920 8.150 1.00 0.00 O ATOM 770 CB TRP A 49 2.083 -2.152 6.951 1.00 0.00 C ATOM 771 CG TRP A 49 1.275 -1.128 6.209 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.212 -1.285 5.402 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.602 0.340 6.234 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.116 -0.122 4.895 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.707 0.857 5.321 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.524 1.121 6.923 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.759 2.201 4.955 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.513 2.491 6.640 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.687 3.005 5.630 1.00 0.00 C ATOM 0 H TRP A 49 3.526 -3.306 8.627 1.00 0.00 H new ATOM 0 HA TRP A 49 1.028 -1.840 8.850 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.081 -1.742 7.108 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.194 -3.024 6.306 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.291 -2.220 5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.898 0.024 4.257 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.211 0.693 7.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.115 2.604 4.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.147 3.159 7.205 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.768 4.049 5.365 1.00 0.00 H new ATOM 790 N SER A 50 -0.630 -3.559 7.601 1.00 0.00 N ATOM 791 CA SER A 50 -1.410 -4.658 7.038 1.00 0.00 C ATOM 792 C SER A 50 -2.482 -4.161 6.098 1.00 0.00 C ATOM 793 O SER A 50 -2.973 -3.069 6.333 1.00 0.00 O ATOM 794 CB SER A 50 -2.076 -5.595 8.071 1.00 0.00 C ATOM 795 OG SER A 50 -1.148 -6.152 9.015 1.00 0.00 O ATOM 0 H SER A 50 -1.103 -2.656 7.634 1.00 0.00 H new ATOM 0 HA SER A 50 -0.661 -5.245 6.506 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.844 -5.041 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.578 -6.406 7.544 1.00 0.00 H new ATOM 0 HG SER A 50 -0.676 -6.906 8.604 1.00 0.00 H new ATOM 801 N GLN A 51 -2.853 -4.952 5.060 1.00 0.00 N ATOM 802 CA GLN A 51 -3.938 -4.575 4.158 1.00 0.00 C ATOM 803 C GLN A 51 -4.953 -5.695 4.230 1.00 0.00 C ATOM 804 O GLN A 51 -4.769 -6.689 3.544 1.00 0.00 O ATOM 805 CB GLN A 51 -3.409 -4.293 2.728 1.00 0.00 C ATOM 806 CG GLN A 51 -2.175 -3.347 2.763 1.00 0.00 C ATOM 807 CD GLN A 51 -1.933 -2.610 1.463 1.00 0.00 C ATOM 808 OE1 GLN A 51 -1.585 -1.440 1.518 1.00 0.00 O ATOM 809 NE2 GLN A 51 -2.097 -3.237 0.276 1.00 0.00 N ATOM 0 H GLN A 51 -2.413 -5.845 4.839 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.412 -3.639 4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.137 -5.232 2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.199 -3.843 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.310 -2.619 3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.288 -3.931 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.388 -4.214 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.930 -2.733 -0.595 1.00 0.00 H new ATOM 818 N HIS A 52 -6.007 -5.576 5.076 1.00 0.00 N ATOM 819 CA HIS A 52 -6.907 -6.706 5.288 1.00 0.00 C ATOM 820 C HIS A 52 -7.919 -6.753 4.180 1.00 0.00 C ATOM 821 O HIS A 52 -8.464 -5.706 3.877 1.00 0.00 O ATOM 822 CB HIS A 52 -7.684 -6.729 6.627 1.00 0.00 C ATOM 823 CG HIS A 52 -6.758 -6.338 7.738 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.054 -7.195 8.434 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.524 -5.079 8.151 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.325 -6.556 9.289 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.551 -5.325 9.184 1.00 0.00 N ATOM 0 H HIS A 52 -6.239 -4.733 5.601 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.243 -7.570 5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.529 -6.042 6.583 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.090 -7.724 6.809 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.077 -8.208 8.319 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.947 -4.147 7.805 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.632 -7.008 9.983 1.00 0.00 H new ATOM 835 N TYR A 53 -8.198 -7.931 3.582 1.00 0.00 N ATOM 836 CA TYR A 53 -9.232 -7.982 2.555 1.00 0.00 C ATOM 837 C TYR A 53 -10.523 -8.072 3.336 1.00 0.00 C ATOM 838 O TYR A 53 -11.249 -7.090 3.379 1.00 0.00 O ATOM 839 CB TYR A 53 -8.984 -9.132 1.541 1.00 0.00 C ATOM 840 CG TYR A 53 -7.808 -8.882 0.571 1.00 0.00 C ATOM 841 CD1 TYR A 53 -6.720 -8.057 0.888 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.815 -9.512 -0.680 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.633 -7.937 0.020 1.00 0.00 C ATOM 844 CE2 TYR A 53 -6.725 -9.402 -1.549 1.00 0.00 C ATOM 845 CZ TYR A 53 -5.604 -8.648 -1.181 1.00 0.00 C ATOM 846 OH TYR A 53 -4.463 -8.587 -1.987 1.00 0.00 O ATOM 0 H TYR A 53 -7.738 -8.818 3.788 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.249 -7.107 1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.795 -10.053 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.892 -9.290 0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.723 -7.506 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.676 -10.092 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.809 -7.289 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.748 -9.900 -2.507 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.944 -9.411 -1.882 1.00 0.00 H new ATOM 856 N SER A 54 -10.816 -9.223 3.985 1.00 0.00 N ATOM 857 CA SER A 54 -12.032 -9.331 4.788 1.00 0.00 C ATOM 858 C SER A 54 -11.863 -10.454 5.787 1.00 0.00 C ATOM 859 O SER A 54 -12.656 -11.382 5.804 1.00 0.00 O ATOM 860 CB SER A 54 -13.252 -9.555 3.855 1.00 0.00 C ATOM 861 OG SER A 54 -14.465 -9.733 4.605 1.00 0.00 O ATOM 0 H SER A 54 -10.238 -10.063 3.964 1.00 0.00 H new ATOM 0 HA SER A 54 -12.211 -8.410 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.360 -8.702 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.077 -10.431 3.231 1.00 0.00 H new ATOM 0 HG SER A 54 -14.327 -10.418 5.292 1.00 0.00 H new ATOM 867 N GLY A 55 -10.806 -10.380 6.629 1.00 0.00 N ATOM 868 CA GLY A 55 -10.557 -11.461 7.577 1.00 0.00 C ATOM 869 C GLY A 55 -10.261 -12.732 6.818 1.00 0.00 C ATOM 870 O GLY A 55 -10.944 -13.723 7.026 1.00 0.00 O ATOM 0 H GLY A 55 -10.141 -9.608 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.718 -11.206 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.425 -11.602 8.221 1.00 0.00 H new ATOM 874 N GLY A 56 -9.241 -12.718 5.929 1.00 0.00 N ATOM 875 CA GLY A 56 -8.916 -13.927 5.174 1.00 0.00 C ATOM 876 C GLY A 56 -7.652 -13.719 4.372 1.00 0.00 C ATOM 877 O GLY A 56 -6.597 -14.146 4.816 1.00 0.00 O ATOM 0 H GLY A 56 -8.653 -11.909 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.788 -14.767 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.740 -14.181 4.508 1.00 0.00 H new ATOM 881 N HIS A 57 -7.738 -13.035 3.207 1.00 0.00 N ATOM 882 CA HIS A 57 -6.530 -12.671 2.464 1.00 0.00 C ATOM 883 C HIS A 57 -6.016 -11.426 3.142 1.00 0.00 C ATOM 884 O HIS A 57 -6.151 -10.347 2.586 1.00 0.00 O ATOM 885 CB HIS A 57 -6.852 -12.505 0.951 1.00 0.00 C ATOM 886 CG HIS A 57 -5.727 -12.091 0.026 1.00 0.00 C ATOM 887 ND1 HIS A 57 -5.787 -12.332 -1.266 1.00 0.00 N ATOM 888 CD2 HIS A 57 -4.571 -11.453 0.310 1.00 0.00 C ATOM 889 CE1 HIS A 57 -4.719 -11.890 -1.850 1.00 0.00 C ATOM 890 NE2 HIS A 57 -3.969 -11.367 -0.993 1.00 0.00 N ATOM 0 H HIS A 57 -8.613 -12.735 2.777 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.755 -13.437 2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.251 -13.453 0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.649 -11.767 0.858 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.561 -12.799 -1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.199 -11.102 1.261 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.508 -11.961 -2.907 1.00 0.00 H new ATOM 898 N THR A 58 -5.419 -11.564 4.353 1.00 0.00 N ATOM 899 CA THR A 58 -4.782 -10.411 4.971 1.00 0.00 C ATOM 900 C THR A 58 -3.444 -10.287 4.290 1.00 0.00 C ATOM 901 O THR A 58 -2.520 -10.983 4.681 1.00 0.00 O ATOM 902 CB THR A 58 -4.616 -10.472 6.515 1.00 0.00 C ATOM 903 OG1 THR A 58 -5.934 -10.520 7.092 1.00 0.00 O ATOM 904 CG2 THR A 58 -3.810 -9.239 7.014 1.00 0.00 C ATOM 0 H THR A 58 -5.373 -12.430 4.889 1.00 0.00 H new ATOM 0 HA THR A 58 -5.427 -9.543 4.836 1.00 0.00 H new ATOM 0 HB THR A 58 -4.057 -11.358 6.816 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.862 -10.561 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.699 -9.291 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.825 -9.236 6.548 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.341 -8.325 6.747 1.00 0.00 H new ATOM 912 N MET A 59 -3.317 -9.402 3.278 1.00 0.00 N ATOM 913 CA MET A 59 -1.997 -9.154 2.707 1.00 0.00 C ATOM 914 C MET A 59 -1.301 -8.293 3.734 1.00 0.00 C ATOM 915 O MET A 59 -2.013 -7.603 4.447 1.00 0.00 O ATOM 916 CB MET A 59 -2.116 -8.390 1.364 1.00 0.00 C ATOM 917 CG MET A 59 -0.837 -8.459 0.493 1.00 0.00 C ATOM 918 SD MET A 59 -0.878 -7.088 -0.705 1.00 0.00 S ATOM 919 CE MET A 59 0.011 -5.837 0.274 1.00 0.00 C ATOM 0 H MET A 59 -4.083 -8.873 2.861 1.00 0.00 H new ATOM 0 HA MET A 59 -1.459 -10.078 2.495 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.953 -8.797 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.349 -7.345 1.570 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.052 -8.388 1.120 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.784 -9.415 -0.028 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.088 -4.913 -0.300 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.532 -5.645 1.199 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.011 -6.202 0.509 1.00 0.00 H new ATOM 929 N THR A 60 0.046 -8.298 3.850 1.00 0.00 N ATOM 930 CA THR A 60 0.691 -7.468 4.862 1.00 0.00 C ATOM 931 C THR A 60 2.044 -6.961 4.421 1.00 0.00 C ATOM 932 O THR A 60 2.663 -7.605 3.592 1.00 0.00 O ATOM 933 CB THR A 60 0.725 -8.264 6.199 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.454 -7.944 6.956 1.00 0.00 O ATOM 935 CG2 THR A 60 2.005 -8.046 7.052 1.00 0.00 C ATOM 0 H THR A 60 0.679 -8.851 3.272 1.00 0.00 H new ATOM 0 HA THR A 60 0.110 -6.559 5.016 1.00 0.00 H new ATOM 0 HB THR A 60 0.747 -9.322 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.202 -7.782 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.940 -8.640 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.880 -8.354 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.094 -6.991 7.311 1.00 0.00 H new ATOM 943 N ASN A 61 2.497 -5.805 4.970 1.00 0.00 N ATOM 944 CA ASN A 61 3.773 -5.214 4.572 1.00 0.00 C ATOM 945 C ASN A 61 4.540 -4.863 5.830 1.00 0.00 C ATOM 946 O ASN A 61 4.623 -3.700 6.189 1.00 0.00 O ATOM 947 CB ASN A 61 3.519 -3.974 3.670 1.00 0.00 C ATOM 948 CG ASN A 61 2.729 -4.347 2.440 1.00 0.00 C ATOM 949 OD1 ASN A 61 1.586 -4.747 2.594 1.00 0.00 O ATOM 950 ND2 ASN A 61 3.286 -4.220 1.216 1.00 0.00 N ATOM 0 H ASN A 61 1.993 -5.277 5.683 1.00 0.00 H new ATOM 0 HA ASN A 61 4.367 -5.915 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.980 -3.214 4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.472 -3.535 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.748 -4.462 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.244 -3.882 1.124 1.00 0.00 H new ATOM 957 N LYS A 62 5.123 -5.868 6.523 1.00 0.00 N ATOM 958 CA LYS A 62 6.010 -5.555 7.642 1.00 0.00 C ATOM 959 C LYS A 62 7.336 -5.146 7.041 1.00 0.00 C ATOM 960 O LYS A 62 7.709 -5.709 6.024 1.00 0.00 O ATOM 961 CB LYS A 62 6.205 -6.764 8.597 1.00 0.00 C ATOM 962 CG LYS A 62 7.227 -6.471 9.732 1.00 0.00 C ATOM 963 CD LYS A 62 7.343 -7.606 10.787 1.00 0.00 C ATOM 964 CE LYS A 62 6.085 -7.742 11.692 1.00 0.00 C ATOM 965 NZ LYS A 62 6.311 -8.715 12.786 1.00 0.00 N ATOM 0 H LYS A 62 4.997 -6.862 6.330 1.00 0.00 H new ATOM 0 HA LYS A 62 5.574 -4.759 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.245 -7.032 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.544 -7.626 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.208 -6.300 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.940 -5.548 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.516 -8.552 10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.214 -7.420 11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.831 -6.770 12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.234 -8.060 11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.455 -8.784 13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.529 -9.648 12.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.108 -8.398 13.374 1.00 0.00 H new ATOM 979 N PHE A 63 8.057 -4.179 7.653 1.00 0.00 N ATOM 980 CA PHE A 63 9.358 -3.767 7.121 1.00 0.00 C ATOM 981 C PHE A 63 10.079 -2.918 8.139 1.00 0.00 C ATOM 982 O PHE A 63 9.458 -2.559 9.127 1.00 0.00 O ATOM 983 CB PHE A 63 9.192 -2.959 5.806 1.00 0.00 C ATOM 984 CG PHE A 63 8.193 -1.808 6.003 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.564 -0.649 6.691 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.895 -1.914 5.491 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.622 0.356 6.932 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.945 -0.922 5.751 1.00 0.00 C ATOM 989 CZ PHE A 63 6.302 0.199 6.503 1.00 0.00 C ATOM 0 H PHE A 63 7.762 -3.685 8.495 1.00 0.00 H new ATOM 0 HA PHE A 63 9.937 -4.665 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 63 10.157 -2.561 5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.845 -3.617 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.580 -0.530 7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.625 -2.770 4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.916 1.256 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.939 -1.022 5.372 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.560 0.943 6.752 1.00 0.00 H new ATOM 999 N THR A 64 11.372 -2.585 7.905 1.00 0.00 N ATOM 1000 CA THR A 64 12.097 -1.703 8.815 1.00 0.00 C ATOM 1001 C THR A 64 12.750 -0.620 7.991 1.00 0.00 C ATOM 1002 O THR A 64 13.308 -0.950 6.956 1.00 0.00 O ATOM 1003 CB THR A 64 13.054 -2.538 9.703 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.312 -3.464 10.519 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.866 -1.631 10.655 1.00 0.00 C ATOM 0 H THR A 64 11.915 -2.913 7.106 1.00 0.00 H new ATOM 0 HA THR A 64 11.440 -1.198 9.523 1.00 0.00 H new ATOM 0 HB THR A 64 13.725 -3.071 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.364 -3.214 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.528 -2.245 11.265 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.459 -0.928 10.070 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.184 -1.080 11.302 1.00 0.00 H new ATOM 1013 N VAL A 65 12.649 0.669 8.407 1.00 0.00 N ATOM 1014 CA VAL A 65 12.998 1.769 7.523 1.00 0.00 C ATOM 1015 C VAL A 65 14.455 2.110 7.700 1.00 0.00 C ATOM 1016 O VAL A 65 14.997 1.869 8.767 1.00 0.00 O ATOM 1017 CB VAL A 65 12.038 2.992 7.680 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.596 2.578 8.071 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.542 4.091 8.645 1.00 0.00 C ATOM 0 H VAL A 65 12.333 0.951 9.335 1.00 0.00 H new ATOM 0 HA VAL A 65 12.857 1.453 6.489 1.00 0.00 H new ATOM 0 HB VAL A 65 12.025 3.429 6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.975 3.469 8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.183 1.928 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.615 2.046 9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.811 4.899 8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.677 3.667 9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.494 4.483 8.285 1.00 0.00 H new ATOM 1029 N GLY A 66 15.120 2.650 6.656 1.00 0.00 N ATOM 1030 CA GLY A 66 16.553 2.882 6.750 1.00 0.00 C ATOM 1031 C GLY A 66 17.280 1.582 6.994 1.00 0.00 C ATOM 1032 O GLY A 66 18.380 1.656 7.520 1.00 0.00 O ATOM 0 H GLY A 66 14.693 2.922 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.915 3.342 5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.763 3.581 7.560 1.00 0.00 H new ATOM 1036 N LYS A 67 16.705 0.405 6.629 1.00 0.00 N ATOM 1037 CA LYS A 67 17.378 -0.867 6.906 1.00 0.00 C ATOM 1038 C LYS A 67 17.283 -1.879 5.781 1.00 0.00 C ATOM 1039 O LYS A 67 18.316 -2.427 5.430 1.00 0.00 O ATOM 1040 CB LYS A 67 16.807 -1.439 8.231 1.00 0.00 C ATOM 1041 CG LYS A 67 17.791 -2.446 8.888 1.00 0.00 C ATOM 1042 CD LYS A 67 17.259 -2.949 10.256 1.00 0.00 C ATOM 1043 CE LYS A 67 18.291 -3.855 10.979 1.00 0.00 C ATOM 1044 NZ LYS A 67 17.795 -4.281 12.308 1.00 0.00 N ATOM 0 H LYS A 67 15.804 0.322 6.157 1.00 0.00 H new ATOM 0 HA LYS A 67 18.445 -0.665 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.605 -0.622 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.856 -1.934 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.944 -3.295 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.762 -1.970 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.019 -2.095 10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.333 -3.503 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.499 -4.733 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.232 -3.317 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.506 -4.885 12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.620 -3.443 12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.910 -4.815 12.193 1.00 0.00 H new ATOM 1058 N GLU A 68 16.079 -2.139 5.217 1.00 0.00 N ATOM 1059 CA GLU A 68 15.914 -3.028 4.073 1.00 0.00 C ATOM 1060 C GLU A 68 15.343 -4.343 4.544 1.00 0.00 C ATOM 1061 O GLU A 68 15.851 -4.880 5.515 1.00 0.00 O ATOM 1062 CB GLU A 68 17.139 -3.258 3.147 1.00 0.00 C ATOM 1063 CG GLU A 68 16.705 -3.731 1.738 1.00 0.00 C ATOM 1064 CD GLU A 68 17.863 -4.027 0.818 1.00 0.00 C ATOM 1065 OE1 GLU A 68 19.040 -3.922 1.258 1.00 0.00 O ATOM 1066 OE2 GLU A 68 17.599 -4.369 -0.366 1.00 0.00 O ATOM 0 H GLU A 68 15.205 -1.733 5.551 1.00 0.00 H new ATOM 0 HA GLU A 68 15.228 -2.491 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.710 -2.334 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.800 -4.001 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.092 -4.627 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.077 -2.964 1.284 1.00 0.00 H new ATOM 1073 N SER A 69 14.292 -4.861 3.865 1.00 0.00 N ATOM 1074 CA SER A 69 13.685 -6.123 4.273 1.00 0.00 C ATOM 1075 C SER A 69 12.908 -6.683 3.105 1.00 0.00 C ATOM 1076 O SER A 69 12.580 -5.901 2.227 1.00 0.00 O ATOM 1077 CB SER A 69 12.702 -5.879 5.446 1.00 0.00 C ATOM 1078 OG SER A 69 13.429 -5.417 6.597 1.00 0.00 O ATOM 0 H SER A 69 13.863 -4.425 3.049 1.00 0.00 H new ATOM 0 HA SER A 69 14.465 -6.817 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.952 -5.143 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.170 -6.800 5.685 1.00 0.00 H new ATOM 0 HG SER A 69 12.806 -5.262 7.337 1.00 0.00 H new ATOM 1084 N ASN A 70 12.593 -7.998 3.062 1.00 0.00 N ATOM 1085 CA ASN A 70 11.757 -8.489 1.970 1.00 0.00 C ATOM 1086 C ASN A 70 10.357 -7.966 2.198 1.00 0.00 C ATOM 1087 O ASN A 70 9.972 -7.858 3.351 1.00 0.00 O ATOM 1088 CB ASN A 70 11.703 -10.030 1.857 1.00 0.00 C ATOM 1089 CG ASN A 70 13.082 -10.587 1.594 1.00 0.00 C ATOM 1090 OD1 ASN A 70 13.837 -10.747 2.540 1.00 0.00 O ATOM 1091 ND2 ASN A 70 13.445 -10.884 0.326 1.00 0.00 N ATOM 0 H ASN A 70 12.893 -8.699 3.739 1.00 0.00 H new ATOM 0 HA ASN A 70 12.196 -8.134 1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.302 -10.455 2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.028 -10.319 1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.376 -11.255 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.788 -10.737 -0.440 1.00 0.00 H new ATOM 1098 N ILE A 71 9.592 -7.640 1.128 1.00 0.00 N ATOM 1099 CA ILE A 71 8.226 -7.136 1.290 1.00 0.00 C ATOM 1100 C ILE A 71 7.376 -7.880 0.283 1.00 0.00 C ATOM 1101 O ILE A 71 7.869 -8.097 -0.812 1.00 0.00 O ATOM 1102 CB ILE A 71 8.230 -5.591 1.099 1.00 0.00 C ATOM 1103 CG1 ILE A 71 9.197 -4.952 2.137 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.804 -4.993 1.209 1.00 0.00 C ATOM 1105 CD1 ILE A 71 9.205 -3.404 2.127 1.00 0.00 C ATOM 0 H ILE A 71 9.902 -7.719 0.159 1.00 0.00 H new ATOM 0 HA ILE A 71 7.813 -7.309 2.284 1.00 0.00 H new ATOM 0 HB ILE A 71 8.582 -5.362 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.921 -5.296 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.208 -5.311 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.851 -3.913 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.166 -5.431 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.392 -5.214 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.904 -3.039 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.511 -3.048 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.205 -3.034 2.352 1.00 0.00 H new ATOM 1117 N GLN A 72 6.133 -8.309 0.619 1.00 0.00 N ATOM 1118 CA GLN A 72 5.388 -9.172 -0.302 1.00 0.00 C ATOM 1119 C GLN A 72 4.796 -8.358 -1.429 1.00 0.00 C ATOM 1120 O GLN A 72 4.733 -8.850 -2.545 1.00 0.00 O ATOM 1121 CB GLN A 72 4.340 -10.081 0.397 1.00 0.00 C ATOM 1122 CG GLN A 72 3.028 -9.357 0.785 1.00 0.00 C ATOM 1123 CD GLN A 72 2.200 -10.295 1.632 1.00 0.00 C ATOM 1124 OE1 GLN A 72 1.224 -10.841 1.141 1.00 0.00 O ATOM 1125 NE2 GLN A 72 2.576 -10.511 2.913 1.00 0.00 N ATOM 0 H GLN A 72 5.650 -8.078 1.487 1.00 0.00 H new ATOM 0 HA GLN A 72 6.107 -9.871 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.100 -10.914 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.787 -10.506 1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.248 -8.442 1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.476 -9.066 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.397 -10.038 3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.039 -11.147 3.502 1.00 0.00 H new ATOM 1134 N THR A 73 4.366 -7.106 -1.156 1.00 0.00 N ATOM 1135 CA THR A 73 3.882 -6.225 -2.217 1.00 0.00 C ATOM 1136 C THR A 73 2.565 -6.759 -2.709 1.00 0.00 C ATOM 1137 O THR A 73 1.791 -7.209 -1.880 1.00 0.00 O ATOM 1138 CB THR A 73 4.936 -5.860 -3.304 1.00 0.00 C ATOM 1139 OG1 THR A 73 5.119 -6.895 -4.282 1.00 0.00 O ATOM 1140 CG2 THR A 73 6.275 -5.448 -2.656 1.00 0.00 C ATOM 0 H THR A 73 4.348 -6.697 -0.222 1.00 0.00 H new ATOM 0 HA THR A 73 3.701 -5.232 -1.806 1.00 0.00 H new ATOM 0 HB THR A 73 4.540 -5.003 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.305 -7.744 -3.829 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.995 -5.198 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.117 -4.580 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.660 -6.275 -2.059 1.00 0.00 H new ATOM 1148 N MET A 74 2.261 -6.700 -4.022 1.00 0.00 N ATOM 1149 CA MET A 74 0.887 -6.957 -4.444 1.00 0.00 C ATOM 1150 C MET A 74 0.611 -8.436 -4.288 1.00 0.00 C ATOM 1151 O MET A 74 1.431 -9.203 -4.761 1.00 0.00 O ATOM 1152 CB MET A 74 0.615 -6.454 -5.892 1.00 0.00 C ATOM 1153 CG MET A 74 -0.768 -5.767 -6.040 1.00 0.00 C ATOM 1154 SD MET A 74 -2.106 -6.955 -5.676 1.00 0.00 S ATOM 1155 CE MET A 74 -2.980 -6.171 -4.282 1.00 0.00 C ATOM 0 H MET A 74 2.920 -6.486 -4.771 1.00 0.00 H new ATOM 0 HA MET A 74 0.201 -6.394 -3.811 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.397 -5.752 -6.181 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.673 -7.296 -6.581 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.834 -4.916 -5.362 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.882 -5.378 -7.052 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.814 -6.802 -3.974 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.292 -6.045 -3.446 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.358 -5.196 -4.591 1.00 0.00 H new ATOM 1165 N GLY A 75 -0.501 -8.852 -3.634 1.00 0.00 N ATOM 1166 CA GLY A 75 -0.785 -10.270 -3.438 1.00 0.00 C ATOM 1167 C GLY A 75 0.433 -10.975 -2.890 1.00 0.00 C ATOM 1168 O GLY A 75 0.642 -10.949 -1.688 1.00 0.00 O ATOM 0 H GLY A 75 -1.201 -8.223 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.623 -10.389 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.082 -10.723 -4.384 1.00 0.00 H new ATOM 1172 N GLY A 76 1.252 -11.591 -3.773 1.00 0.00 N ATOM 1173 CA GLY A 76 2.469 -12.264 -3.330 1.00 0.00 C ATOM 1174 C GLY A 76 3.552 -12.130 -4.373 1.00 0.00 C ATOM 1175 O GLY A 76 4.263 -13.092 -4.617 1.00 0.00 O ATOM 0 H GLY A 76 1.086 -11.630 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.808 -11.834 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.263 -13.318 -3.144 1.00 0.00 H new ATOM 1179 N LYS A 77 3.692 -10.930 -4.983 1.00 0.00 N ATOM 1180 CA LYS A 77 4.740 -10.709 -5.977 1.00 0.00 C ATOM 1181 C LYS A 77 5.936 -10.239 -5.180 1.00 0.00 C ATOM 1182 O LYS A 77 6.282 -9.070 -5.231 1.00 0.00 O ATOM 1183 CB LYS A 77 4.272 -9.665 -7.031 1.00 0.00 C ATOM 1184 CG LYS A 77 2.936 -9.984 -7.767 1.00 0.00 C ATOM 1185 CD LYS A 77 2.959 -11.263 -8.657 1.00 0.00 C ATOM 1186 CE LYS A 77 2.429 -12.536 -7.937 1.00 0.00 C ATOM 1187 NZ LYS A 77 2.471 -13.716 -8.832 1.00 0.00 N ATOM 0 H LYS A 77 3.099 -10.120 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 77 4.985 -11.605 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.168 -8.700 -6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.058 -9.556 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.147 -10.092 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.671 -9.131 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.359 -11.085 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.981 -11.444 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.028 -12.730 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.406 -12.367 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.112 -14.550 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.879 -13.538 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.452 -13.889 -9.132 1.00 0.00 H new ATOM 1201 N THR A 78 6.571 -11.138 -4.395 1.00 0.00 N ATOM 1202 CA THR A 78 7.569 -10.675 -3.437 1.00 0.00 C ATOM 1203 C THR A 78 8.778 -10.063 -4.101 1.00 0.00 C ATOM 1204 O THR A 78 9.379 -10.729 -4.929 1.00 0.00 O ATOM 1205 CB THR A 78 8.038 -11.814 -2.494 1.00 0.00 C ATOM 1206 OG1 THR A 78 6.863 -12.392 -1.897 1.00 0.00 O ATOM 1207 CG2 THR A 78 9.026 -11.319 -1.400 1.00 0.00 C ATOM 0 H THR A 78 6.412 -12.145 -4.410 1.00 0.00 H new ATOM 0 HA THR A 78 7.068 -9.903 -2.853 1.00 0.00 H new ATOM 0 HB THR A 78 8.588 -12.555 -3.075 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.126 -13.119 -1.295 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.321 -12.158 -0.769 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.910 -10.893 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.540 -10.558 -0.788 1.00 0.00 H new ATOM 1215 N PHE A 79 9.153 -8.822 -3.708 1.00 0.00 N ATOM 1216 CA PHE A 79 10.444 -8.251 -4.088 1.00 0.00 C ATOM 1217 C PHE A 79 11.126 -7.874 -2.790 1.00 0.00 C ATOM 1218 O PHE A 79 10.542 -8.099 -1.741 1.00 0.00 O ATOM 1219 CB PHE A 79 10.271 -6.986 -4.975 1.00 0.00 C ATOM 1220 CG PHE A 79 9.050 -7.064 -5.901 1.00 0.00 C ATOM 1221 CD1 PHE A 79 8.853 -8.173 -6.730 1.00 0.00 C ATOM 1222 CD2 PHE A 79 8.122 -6.016 -5.936 1.00 0.00 C ATOM 1223 CE1 PHE A 79 7.703 -8.268 -7.518 1.00 0.00 C ATOM 1224 CE2 PHE A 79 6.950 -6.125 -6.687 1.00 0.00 C ATOM 1225 CZ PHE A 79 6.749 -7.247 -7.490 1.00 0.00 C ATOM 0 H PHE A 79 8.576 -8.210 -3.132 1.00 0.00 H new ATOM 0 HA PHE A 79 11.024 -8.967 -4.671 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.178 -6.110 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 79 11.168 -6.846 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.593 -8.959 -6.761 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.315 -5.113 -5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.551 -9.131 -8.149 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.204 -5.345 -6.646 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.855 -7.327 -8.091 1.00 0.00 H new ATOM 1235 N LYS A 80 12.339 -7.278 -2.846 1.00 0.00 N ATOM 1236 CA LYS A 80 12.965 -6.725 -1.644 1.00 0.00 C ATOM 1237 C LYS A 80 13.192 -5.252 -1.888 1.00 0.00 C ATOM 1238 O LYS A 80 13.329 -4.886 -3.044 1.00 0.00 O ATOM 1239 CB LYS A 80 14.248 -7.536 -1.335 1.00 0.00 C ATOM 1240 CG LYS A 80 15.010 -7.052 -0.072 1.00 0.00 C ATOM 1241 CD LYS A 80 16.129 -8.053 0.329 1.00 0.00 C ATOM 1242 CE LYS A 80 16.883 -7.603 1.610 1.00 0.00 C ATOM 1243 NZ LYS A 80 17.852 -8.628 2.060 1.00 0.00 N ATOM 0 H LYS A 80 12.888 -7.173 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 80 12.340 -6.809 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.981 -8.585 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.917 -7.481 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.447 -6.071 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.310 -6.935 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.692 -9.038 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.838 -8.152 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.407 -6.667 1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.165 -7.406 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.337 -8.294 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.348 -9.513 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.552 -8.797 1.310 1.00 0.00 H new ATOM 1257 N ALA A 81 13.199 -4.389 -0.845 1.00 0.00 N ATOM 1258 CA ALA A 81 13.193 -2.945 -1.085 1.00 0.00 C ATOM 1259 C ALA A 81 13.695 -2.195 0.123 1.00 0.00 C ATOM 1260 O ALA A 81 13.617 -2.765 1.200 1.00 0.00 O ATOM 1261 CB ALA A 81 11.731 -2.516 -1.300 1.00 0.00 C ATOM 0 H ALA A 81 13.208 -4.665 0.137 1.00 0.00 H new ATOM 0 HA ALA A 81 13.830 -2.727 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.690 -1.442 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.319 -3.046 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.147 -2.756 -0.411 1.00 0.00 H new ATOM 1267 N THR A 82 14.185 -0.940 -0.034 1.00 0.00 N ATOM 1268 CA THR A 82 14.689 -0.194 1.119 1.00 0.00 C ATOM 1269 C THR A 82 13.649 0.827 1.507 1.00 0.00 C ATOM 1270 O THR A 82 13.552 1.842 0.836 1.00 0.00 O ATOM 1271 CB THR A 82 16.083 0.444 0.863 1.00 0.00 C ATOM 1272 OG1 THR A 82 17.018 -0.551 0.407 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.657 1.048 2.174 1.00 0.00 C ATOM 0 H THR A 82 14.237 -0.445 -0.924 1.00 0.00 H new ATOM 0 HA THR A 82 14.853 -0.882 1.948 1.00 0.00 H new ATOM 0 HB THR A 82 15.950 1.220 0.110 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.890 -0.132 0.249 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.633 1.490 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.980 1.817 2.547 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.761 0.262 2.922 1.00 0.00 H new ATOM 1281 N VAL A 83 12.867 0.578 2.585 1.00 0.00 N ATOM 1282 CA VAL A 83 11.900 1.578 3.021 1.00 0.00 C ATOM 1283 C VAL A 83 12.693 2.665 3.702 1.00 0.00 C ATOM 1284 O VAL A 83 13.677 2.344 4.347 1.00 0.00 O ATOM 1285 CB VAL A 83 10.801 0.999 3.960 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.818 2.092 4.470 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.996 -0.107 3.226 1.00 0.00 C ATOM 0 H VAL A 83 12.893 -0.277 3.141 1.00 0.00 H new ATOM 0 HA VAL A 83 11.350 1.961 2.162 1.00 0.00 H new ATOM 0 HB VAL A 83 11.315 0.580 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.072 1.635 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.372 2.848 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.321 2.560 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.231 -0.504 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.521 0.315 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.670 -0.910 2.928 1.00 0.00 H new ATOM 1297 N GLN A 84 12.280 3.943 3.569 1.00 0.00 N ATOM 1298 CA GLN A 84 12.875 5.033 4.333 1.00 0.00 C ATOM 1299 C GLN A 84 11.728 5.901 4.790 1.00 0.00 C ATOM 1300 O GLN A 84 10.595 5.564 4.487 1.00 0.00 O ATOM 1301 CB GLN A 84 13.904 5.816 3.471 1.00 0.00 C ATOM 1302 CG GLN A 84 15.016 4.888 2.922 1.00 0.00 C ATOM 1303 CD GLN A 84 16.047 5.642 2.114 1.00 0.00 C ATOM 1304 OE1 GLN A 84 15.850 6.810 1.816 1.00 0.00 O ATOM 1305 NE2 GLN A 84 17.168 4.990 1.737 1.00 0.00 N ATOM 0 H GLN A 84 11.535 4.234 2.936 1.00 0.00 H new ATOM 0 HA GLN A 84 13.436 4.666 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.390 6.299 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.354 6.607 4.071 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.508 4.383 3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.566 4.114 2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.304 4.014 2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.879 5.473 1.188 1.00 0.00 H new ATOM 1314 N MET A 85 12.003 7.005 5.514 1.00 0.00 N ATOM 1315 CA MET A 85 10.939 7.872 6.017 1.00 0.00 C ATOM 1316 C MET A 85 11.254 9.297 5.638 1.00 0.00 C ATOM 1317 O MET A 85 12.378 9.585 5.259 1.00 0.00 O ATOM 1318 CB MET A 85 10.773 7.818 7.564 1.00 0.00 C ATOM 1319 CG MET A 85 9.571 6.932 7.979 1.00 0.00 C ATOM 1320 SD MET A 85 9.109 7.259 9.708 1.00 0.00 S ATOM 1321 CE MET A 85 7.815 8.499 9.371 1.00 0.00 C ATOM 0 H MET A 85 12.946 7.308 5.757 1.00 0.00 H new ATOM 0 HA MET A 85 10.010 7.517 5.571 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.686 7.428 8.015 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.632 8.827 7.951 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.722 7.131 7.325 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.828 5.880 7.857 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.387 8.843 10.312 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.251 9.345 8.840 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.032 8.051 8.759 1.00 0.00 H new ATOM 1331 N GLU A 86 10.251 10.190 5.789 1.00 0.00 N ATOM 1332 CA GLU A 86 10.510 11.625 5.658 1.00 0.00 C ATOM 1333 C GLU A 86 9.427 12.398 6.384 1.00 0.00 C ATOM 1334 O GLU A 86 8.559 11.753 6.948 1.00 0.00 O ATOM 1335 CB GLU A 86 10.729 12.037 4.173 1.00 0.00 C ATOM 1336 CG GLU A 86 9.408 12.107 3.372 1.00 0.00 C ATOM 1337 CD GLU A 86 9.687 12.448 1.930 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.127 13.600 1.668 1.00 0.00 O ATOM 1339 OE2 GLU A 86 9.469 11.576 1.047 1.00 0.00 O ATOM 0 H GLU A 86 9.283 9.944 5.996 1.00 0.00 H new ATOM 0 HA GLU A 86 11.452 11.883 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.222 13.009 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.400 11.322 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.887 11.151 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.749 12.857 3.809 1.00 0.00 H new ATOM 1346 N GLY A 87 9.471 13.752 6.405 1.00 0.00 N ATOM 1347 CA GLY A 87 8.536 14.541 7.210 1.00 0.00 C ATOM 1348 C GLY A 87 7.132 13.983 7.319 1.00 0.00 C ATOM 1349 O GLY A 87 6.332 14.244 6.435 1.00 0.00 O ATOM 0 H GLY A 87 10.142 14.308 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.946 14.643 8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.477 15.544 6.787 1.00 0.00 H new ATOM 1353 N GLY A 88 6.812 13.218 8.393 1.00 0.00 N ATOM 1354 CA GLY A 88 5.449 12.716 8.572 1.00 0.00 C ATOM 1355 C GLY A 88 5.000 11.973 7.341 1.00 0.00 C ATOM 1356 O GLY A 88 3.880 12.168 6.895 1.00 0.00 O ATOM 0 H GLY A 88 7.469 12.947 9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.408 12.056 9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.772 13.546 8.771 1.00 0.00 H new ATOM 1360 N LYS A 89 5.890 11.125 6.781 1.00 0.00 N ATOM 1361 CA LYS A 89 5.618 10.518 5.482 1.00 0.00 C ATOM 1362 C LYS A 89 6.550 9.350 5.274 1.00 0.00 C ATOM 1363 O LYS A 89 7.569 9.305 5.944 1.00 0.00 O ATOM 1364 CB LYS A 89 5.773 11.640 4.420 1.00 0.00 C ATOM 1365 CG LYS A 89 5.720 11.149 2.949 1.00 0.00 C ATOM 1366 CD LYS A 89 5.749 12.344 1.956 1.00 0.00 C ATOM 1367 CE LYS A 89 5.643 11.914 0.465 1.00 0.00 C ATOM 1368 NZ LYS A 89 6.908 11.359 -0.067 1.00 0.00 N ATOM 0 H LYS A 89 6.779 10.857 7.204 1.00 0.00 H new ATOM 0 HA LYS A 89 4.610 10.111 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.985 12.377 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.722 12.150 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.565 10.489 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.814 10.563 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.927 13.021 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.673 12.903 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.854 11.169 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.349 12.775 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.973 11.558 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.713 11.798 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.928 10.331 0.087 1.00 0.00 H new ATOM 1382 N LEU A 90 6.197 8.395 4.385 1.00 0.00 N ATOM 1383 CA LEU A 90 6.963 7.164 4.255 1.00 0.00 C ATOM 1384 C LEU A 90 7.464 7.018 2.842 1.00 0.00 C ATOM 1385 O LEU A 90 6.817 7.549 1.953 1.00 0.00 O ATOM 1386 CB LEU A 90 6.022 6.002 4.619 1.00 0.00 C ATOM 1387 CG LEU A 90 6.729 4.642 4.832 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.648 4.681 6.082 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.662 3.546 5.034 1.00 0.00 C ATOM 0 H LEU A 90 5.394 8.463 3.760 1.00 0.00 H new ATOM 0 HA LEU A 90 7.831 7.171 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.481 6.262 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.280 5.891 3.828 1.00 0.00 H new ATOM 0 HG LEU A 90 7.340 4.429 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.132 3.713 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.407 5.452 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.051 4.906 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.152 2.584 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.056 3.785 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.023 3.493 4.152 1.00 0.00 H new ATOM 1401 N VAL A 91 8.600 6.310 2.633 1.00 0.00 N ATOM 1402 CA VAL A 91 9.192 6.210 1.305 1.00 0.00 C ATOM 1403 C VAL A 91 9.626 4.790 1.045 1.00 0.00 C ATOM 1404 O VAL A 91 10.072 4.167 1.990 1.00 0.00 O ATOM 1405 CB VAL A 91 10.430 7.148 1.257 1.00 0.00 C ATOM 1406 CG1 VAL A 91 11.057 7.192 -0.163 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.087 8.574 1.770 1.00 0.00 C ATOM 0 H VAL A 91 9.108 5.812 3.364 1.00 0.00 H new ATOM 0 HA VAL A 91 8.465 6.499 0.546 1.00 0.00 H new ATOM 0 HB VAL A 91 11.178 6.731 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.920 7.858 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.373 6.190 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.319 7.560 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.977 9.202 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.304 9.006 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.740 8.516 2.801 1.00 0.00 H new ATOM 1417 N VAL A 92 9.535 4.262 -0.196 1.00 0.00 N ATOM 1418 CA VAL A 92 10.122 2.960 -0.496 1.00 0.00 C ATOM 1419 C VAL A 92 10.416 2.858 -1.972 1.00 0.00 C ATOM 1420 O VAL A 92 9.813 3.589 -2.744 1.00 0.00 O ATOM 1421 CB VAL A 92 9.195 1.811 -0.006 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.829 1.844 -0.723 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.803 0.395 -0.203 1.00 0.00 C ATOM 0 H VAL A 92 9.069 4.714 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 92 11.065 2.859 0.042 1.00 0.00 H new ATOM 0 HB VAL A 92 9.075 1.989 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.206 1.028 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.336 2.795 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.979 1.732 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.102 -0.356 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.998 0.227 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.737 0.319 0.354 1.00 0.00 H new ATOM 1433 N ASN A 93 11.344 1.956 -2.364 1.00 0.00 N ATOM 1434 CA ASN A 93 11.670 1.772 -3.771 1.00 0.00 C ATOM 1435 C ASN A 93 11.974 0.307 -3.999 1.00 0.00 C ATOM 1436 O ASN A 93 12.842 -0.210 -3.312 1.00 0.00 O ATOM 1437 CB ASN A 93 12.859 2.671 -4.180 1.00 0.00 C ATOM 1438 CG ASN A 93 14.052 2.443 -3.283 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.959 1.725 -3.676 1.00 0.00 O ATOM 1440 ND2 ASN A 93 14.079 3.036 -2.068 1.00 0.00 N ATOM 0 H ASN A 93 11.867 1.357 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 93 10.826 2.066 -4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 93 13.134 2.465 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.560 3.718 -4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.875 2.890 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 93 13.304 3.629 -1.773 1.00 0.00 H new ATOM 1447 N PHE A 94 11.263 -0.359 -4.942 1.00 0.00 N ATOM 1448 CA PHE A 94 11.467 -1.783 -5.205 1.00 0.00 C ATOM 1449 C PHE A 94 12.232 -1.867 -6.508 1.00 0.00 C ATOM 1450 O PHE A 94 12.175 -0.879 -7.223 1.00 0.00 O ATOM 1451 CB PHE A 94 10.069 -2.439 -5.420 1.00 0.00 C ATOM 1452 CG PHE A 94 9.121 -2.202 -4.236 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.309 -1.062 -4.166 1.00 0.00 C ATOM 1454 CD2 PHE A 94 9.045 -3.140 -3.204 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.503 -0.831 -3.048 1.00 0.00 C ATOM 1456 CE2 PHE A 94 8.311 -2.864 -2.050 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.535 -1.710 -1.964 1.00 0.00 C ATOM 0 H PHE A 94 10.548 0.076 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 94 11.995 -2.278 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.619 -2.038 -6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.194 -3.511 -5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.306 -0.356 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.558 -4.086 -3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.853 0.031 -3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.345 -3.550 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.966 -1.498 -1.071 1.00 0.00 H new ATOM 1467 N PRO A 95 12.935 -2.960 -6.898 1.00 0.00 N ATOM 1468 CA PRO A 95 13.559 -2.995 -8.218 1.00 0.00 C ATOM 1469 C PRO A 95 12.501 -3.175 -9.287 1.00 0.00 C ATOM 1470 O PRO A 95 12.447 -4.228 -9.902 1.00 0.00 O ATOM 1471 CB PRO A 95 14.482 -4.228 -8.033 1.00 0.00 C ATOM 1472 CG PRO A 95 13.692 -5.123 -7.052 1.00 0.00 C ATOM 1473 CD PRO A 95 13.148 -4.105 -6.025 1.00 0.00 C ATOM 0 HA PRO A 95 14.093 -2.100 -8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.668 -4.736 -8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.453 -3.946 -7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.888 -5.661 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.331 -5.870 -6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.228 -4.444 -5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.861 -3.895 -5.228 1.00 0.00 H new ATOM 1481 N ASN A 96 11.657 -2.139 -9.513 1.00 0.00 N ATOM 1482 CA ASN A 96 10.607 -2.187 -10.533 1.00 0.00 C ATOM 1483 C ASN A 96 9.634 -1.053 -10.275 1.00 0.00 C ATOM 1484 O ASN A 96 9.651 -0.098 -11.036 1.00 0.00 O ATOM 1485 CB ASN A 96 9.841 -3.537 -10.677 1.00 0.00 C ATOM 1486 CG ASN A 96 9.613 -4.271 -9.378 1.00 0.00 C ATOM 1487 OD1 ASN A 96 9.800 -3.700 -8.315 1.00 0.00 O ATOM 1488 ND2 ASN A 96 9.204 -5.556 -9.441 1.00 0.00 N ATOM 0 H ASN A 96 11.692 -1.261 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 96 11.121 -2.082 -11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.875 -3.344 -11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 96 10.398 -4.186 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.041 -6.082 -8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.058 -6.001 -10.347 1.00 0.00 H new ATOM 1495 N TYR A 97 8.798 -1.139 -9.210 1.00 0.00 N ATOM 1496 CA TYR A 97 7.846 -0.071 -8.898 1.00 0.00 C ATOM 1497 C TYR A 97 8.409 0.760 -7.765 1.00 0.00 C ATOM 1498 O TYR A 97 9.432 0.390 -7.212 1.00 0.00 O ATOM 1499 CB TYR A 97 6.407 -0.617 -8.649 1.00 0.00 C ATOM 1500 CG TYR A 97 6.053 -1.001 -7.204 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.459 -2.241 -6.705 1.00 0.00 C ATOM 1502 CD2 TYR A 97 5.291 -0.161 -6.381 1.00 0.00 C ATOM 1503 CE1 TYR A 97 6.072 -2.644 -5.425 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.817 -0.617 -5.146 1.00 0.00 C ATOM 1505 CZ TYR A 97 5.230 -1.854 -4.645 1.00 0.00 C ATOM 1506 OH TYR A 97 4.826 -2.311 -3.386 1.00 0.00 O ATOM 0 H TYR A 97 8.772 -1.930 -8.567 1.00 0.00 H new ATOM 0 HA TYR A 97 7.723 0.586 -9.759 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.695 0.137 -8.985 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.263 -1.495 -9.279 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.074 -2.890 -7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.068 0.846 -6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.431 -3.584 -5.033 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.128 -0.010 -4.577 1.00 0.00 H new ATOM 0 HH TYR A 97 5.553 -2.181 -2.742 1.00 0.00 H new ATOM 1516 N HIS A 98 7.754 1.889 -7.417 1.00 0.00 N ATOM 1517 CA HIS A 98 8.193 2.736 -6.306 1.00 0.00 C ATOM 1518 C HIS A 98 6.949 3.169 -5.580 1.00 0.00 C ATOM 1519 O HIS A 98 5.902 3.174 -6.208 1.00 0.00 O ATOM 1520 CB HIS A 98 8.980 3.968 -6.826 1.00 0.00 C ATOM 1521 CG HIS A 98 8.961 5.176 -5.912 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.919 5.934 -5.639 1.00 0.00 N ATOM 1523 CD2 HIS A 98 10.032 5.660 -5.257 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.269 6.903 -4.854 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.485 6.802 -4.582 1.00 0.00 N ATOM 0 H HIS A 98 6.919 2.228 -7.895 1.00 0.00 H new ATOM 0 HA HIS A 98 8.865 2.190 -5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.016 3.674 -6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.572 4.258 -7.794 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.045 5.285 -5.243 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.612 7.679 -4.490 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.007 7.433 -3.975 1.00 0.00 H new ATOM 1533 N GLN A 99 7.027 3.536 -4.280 1.00 0.00 N ATOM 1534 CA GLN A 99 5.811 3.927 -3.572 1.00 0.00 C ATOM 1535 C GLN A 99 6.159 4.855 -2.433 1.00 0.00 C ATOM 1536 O GLN A 99 7.273 4.773 -1.943 1.00 0.00 O ATOM 1537 CB GLN A 99 5.069 2.637 -3.137 1.00 0.00 C ATOM 1538 CG GLN A 99 3.658 2.823 -2.514 1.00 0.00 C ATOM 1539 CD GLN A 99 3.678 3.457 -1.145 1.00 0.00 C ATOM 1540 OE1 GLN A 99 3.074 4.505 -0.979 1.00 0.00 O ATOM 1541 NE2 GLN A 99 4.349 2.848 -0.142 1.00 0.00 N ATOM 0 H GLN A 99 7.885 3.566 -3.729 1.00 0.00 H new ATOM 0 HA GLN A 99 5.132 4.491 -4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.974 1.988 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.694 2.112 -2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.054 3.439 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.169 1.851 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.843 1.973 -0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.361 3.264 0.789 1.00 0.00 H new ATOM 1550 N THR A 100 5.228 5.745 -2.020 1.00 0.00 N ATOM 1551 CA THR A 100 5.496 6.679 -0.926 1.00 0.00 C ATOM 1552 C THR A 100 4.201 6.818 -0.155 1.00 0.00 C ATOM 1553 O THR A 100 3.299 7.451 -0.684 1.00 0.00 O ATOM 1554 CB THR A 100 5.953 8.062 -1.478 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.248 8.413 -2.676 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.484 8.145 -1.721 1.00 0.00 C ATOM 0 H THR A 100 4.297 5.829 -2.429 1.00 0.00 H new ATOM 0 HA THR A 100 6.299 6.311 -0.287 1.00 0.00 H new ATOM 0 HB THR A 100 5.707 8.783 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.558 9.287 -2.994 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.738 9.133 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.011 7.974 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.779 7.387 -2.446 1.00 0.00 H new ATOM 1564 N SER A 101 4.072 6.230 1.062 1.00 0.00 N ATOM 1565 CA SER A 101 2.814 6.347 1.799 1.00 0.00 C ATOM 1566 C SER A 101 2.814 7.662 2.536 1.00 0.00 C ATOM 1567 O SER A 101 3.879 8.243 2.665 1.00 0.00 O ATOM 1568 CB SER A 101 2.508 5.159 2.748 1.00 0.00 C ATOM 1569 OG SER A 101 2.680 3.897 2.083 1.00 0.00 O ATOM 0 H SER A 101 4.801 5.692 1.529 1.00 0.00 H new ATOM 0 HA SER A 101 2.004 6.315 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.165 5.207 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.486 5.241 3.117 1.00 0.00 H new ATOM 0 HG SER A 101 2.481 3.168 2.708 1.00 0.00 H new ATOM 1575 N GLU A 102 1.645 8.151 3.012 1.00 0.00 N ATOM 1576 CA GLU A 102 1.598 9.470 3.643 1.00 0.00 C ATOM 1577 C GLU A 102 0.364 9.575 4.516 1.00 0.00 C ATOM 1578 O GLU A 102 -0.699 9.242 4.019 1.00 0.00 O ATOM 1579 CB GLU A 102 1.594 10.543 2.523 1.00 0.00 C ATOM 1580 CG GLU A 102 1.450 11.979 3.090 1.00 0.00 C ATOM 1581 CD GLU A 102 1.350 12.969 1.958 1.00 0.00 C ATOM 1582 OE1 GLU A 102 0.252 13.052 1.342 1.00 0.00 O ATOM 1583 OE2 GLU A 102 2.360 13.667 1.673 1.00 0.00 O ATOM 0 H GLU A 102 0.751 7.661 2.969 1.00 0.00 H new ATOM 0 HA GLU A 102 2.467 9.626 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.518 10.471 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.775 10.343 1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.563 12.043 3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.307 12.219 3.720 1.00 0.00 H new ATOM 1590 N ILE A 103 0.471 10.032 5.791 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.717 10.233 6.627 1.00 0.00 C ATOM 1592 C ILE A 103 -1.150 11.670 6.475 1.00 0.00 C ATOM 1593 O ILE A 103 -0.291 12.508 6.252 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.452 9.881 8.124 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.322 8.350 8.337 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.482 10.494 9.115 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.658 7.566 8.391 1.00 0.00 C ATOM 0 H ILE A 103 1.355 10.261 6.246 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.508 9.559 6.298 1.00 0.00 H new ATOM 0 HB ILE A 103 0.503 10.350 8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.287 7.940 7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.219 8.175 9.267 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.226 10.201 10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.462 11.581 9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.481 10.130 8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.452 6.506 8.543 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.266 7.939 9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.197 7.700 7.453 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.470 11.962 6.586 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.957 13.328 6.400 1.00 0.00 C ATOM 1611 C VAL A 104 -4.003 13.603 7.465 1.00 0.00 C ATOM 1612 O VAL A 104 -5.188 13.586 7.171 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.485 13.506 4.944 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.895 14.980 4.671 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.434 13.048 3.893 1.00 0.00 C ATOM 0 H VAL A 104 -3.194 11.276 6.799 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.160 14.061 6.521 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.366 12.872 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.259 15.073 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.683 15.273 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.031 15.630 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.838 13.187 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.526 13.641 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.200 11.995 4.047 1.00 0.00 H new ATOM 1625 N GLY A 105 -3.571 13.862 8.722 1.00 0.00 N ATOM 1626 CA GLY A 105 -4.517 14.198 9.784 1.00 0.00 C ATOM 1627 C GLY A 105 -5.256 12.962 10.237 1.00 0.00 C ATOM 1628 O GLY A 105 -4.828 12.341 11.198 1.00 0.00 O ATOM 0 H GLY A 105 -2.593 13.843 9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.986 14.642 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.227 14.944 9.426 1.00 0.00 H new ATOM 1632 N ASP A 106 -6.361 12.595 9.546 1.00 0.00 N ATOM 1633 CA ASP A 106 -7.148 11.423 9.933 1.00 0.00 C ATOM 1634 C ASP A 106 -7.474 10.672 8.666 1.00 0.00 C ATOM 1635 O ASP A 106 -8.634 10.496 8.327 1.00 0.00 O ATOM 1636 CB ASP A 106 -8.408 11.880 10.707 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.981 12.593 11.964 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -7.793 11.906 13.005 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -7.825 13.844 11.920 1.00 0.00 O ATOM 0 H ASP A 106 -6.716 13.093 8.730 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.602 10.760 10.603 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.012 12.541 10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.030 11.020 10.955 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.411 10.248 7.947 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.591 9.663 6.620 1.00 0.00 C ATOM 1646 C LYS A 107 -5.262 9.076 6.197 1.00 0.00 C ATOM 1647 O LYS A 107 -4.256 9.691 6.516 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.957 10.831 5.662 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.259 10.403 4.199 1.00 0.00 C ATOM 1650 CD LYS A 107 -6.963 11.542 3.181 1.00 0.00 C ATOM 1651 CE LYS A 107 -7.706 12.875 3.463 1.00 0.00 C ATOM 1652 NZ LYS A 107 -7.416 13.880 2.413 1.00 0.00 N ATOM 0 H LYS A 107 -5.443 10.302 8.263 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.363 8.893 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.828 11.350 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.135 11.547 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.660 9.528 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.305 10.107 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.890 11.735 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.231 11.197 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.780 12.693 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.405 13.264 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.925 14.761 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.394 14.069 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.725 13.516 1.489 1.00 0.00 H new ATOM 1666 N LEU A 108 -5.229 7.924 5.492 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.972 7.390 4.972 1.00 0.00 C ATOM 1668 C LEU A 108 -4.037 7.529 3.473 1.00 0.00 C ATOM 1669 O LEU A 108 -5.085 7.225 2.928 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.815 5.902 5.392 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.729 5.121 4.595 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.300 5.487 5.082 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.982 3.596 4.728 1.00 0.00 C ATOM 0 H LEU A 108 -6.051 7.360 5.277 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.110 7.927 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.570 5.860 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.773 5.398 5.266 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.797 5.404 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.564 4.925 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.131 6.555 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.201 5.238 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.221 3.051 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.936 3.310 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.967 3.355 4.329 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.951 7.962 2.790 1.00 0.00 N ATOM 1686 CA VAL A 109 -2.976 8.022 1.331 1.00 0.00 C ATOM 1687 C VAL A 109 -1.694 7.433 0.811 1.00 0.00 C ATOM 1688 O VAL A 109 -0.747 7.361 1.580 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.211 9.468 0.801 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.253 10.206 1.680 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -1.914 10.312 0.743 1.00 0.00 C ATOM 0 H VAL A 109 -2.077 8.264 3.220 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.821 7.440 0.963 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.582 9.359 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.405 11.214 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.198 9.663 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.890 10.260 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.145 11.308 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.487 10.392 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.196 9.830 0.080 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.653 7.014 -0.476 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.437 6.419 -1.016 1.00 0.00 C ATOM 1703 C GLU A 110 -0.183 6.901 -2.421 1.00 0.00 C ATOM 1704 O GLU A 110 -1.078 7.508 -2.983 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.515 4.871 -0.945 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.835 4.378 0.493 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.677 2.888 0.659 1.00 0.00 C ATOM 1708 OE1 GLU A 110 -0.203 2.206 -0.289 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -1.033 2.379 1.757 1.00 0.00 O ATOM 0 H GLU A 110 -2.431 7.080 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 110 0.409 6.737 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.282 4.513 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.432 4.443 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.179 4.887 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.857 4.659 0.747 1.00 0.00 H new ATOM 1716 N VAL A 111 1.032 6.650 -2.969 1.00 0.00 N ATOM 1717 CA VAL A 111 1.365 7.074 -4.329 1.00 0.00 C ATOM 1718 C VAL A 111 2.230 5.982 -4.924 1.00 0.00 C ATOM 1719 O VAL A 111 3.400 5.972 -4.585 1.00 0.00 O ATOM 1720 CB VAL A 111 2.121 8.431 -4.279 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.552 8.867 -5.706 1.00 0.00 C ATOM 1722 CG2 VAL A 111 1.263 9.541 -3.615 1.00 0.00 C ATOM 0 H VAL A 111 1.784 6.159 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 111 0.474 7.222 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 111 3.012 8.287 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.080 9.819 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.210 8.111 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.669 8.977 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.825 10.475 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.344 9.681 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.016 9.248 -2.595 1.00 0.00 H new ATOM 1732 N SER A 112 1.712 5.070 -5.784 1.00 0.00 N ATOM 1733 CA SER A 112 2.558 4.008 -6.345 1.00 0.00 C ATOM 1734 C SER A 112 3.191 4.570 -7.593 1.00 0.00 C ATOM 1735 O SER A 112 2.796 5.651 -7.992 1.00 0.00 O ATOM 1736 CB SER A 112 1.763 2.714 -6.670 1.00 0.00 C ATOM 1737 OG SER A 112 2.480 1.524 -6.315 1.00 0.00 O ATOM 0 H SER A 112 0.740 5.053 -6.092 1.00 0.00 H new ATOM 0 HA SER A 112 3.307 3.714 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.812 2.733 -6.138 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.533 2.691 -7.735 1.00 0.00 H new ATOM 0 HG SER A 112 2.186 0.783 -6.884 1.00 0.00 H new ATOM 1743 N THR A 113 4.158 3.870 -8.225 1.00 0.00 N ATOM 1744 CA THR A 113 4.841 4.445 -9.385 1.00 0.00 C ATOM 1745 C THR A 113 5.598 3.381 -10.135 1.00 0.00 C ATOM 1746 O THR A 113 6.033 2.462 -9.465 1.00 0.00 O ATOM 1747 CB THR A 113 5.869 5.479 -8.855 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.225 6.654 -8.339 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.965 5.859 -9.879 1.00 0.00 C ATOM 0 H THR A 113 4.470 2.937 -7.957 1.00 0.00 H new ATOM 0 HA THR A 113 4.108 4.899 -10.052 1.00 0.00 H new ATOM 0 HB THR A 113 6.381 4.974 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.254 6.524 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.644 6.586 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.524 4.967 -10.162 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.501 6.293 -10.765 1.00 0.00 H new ATOM 1757 N ILE A 114 5.786 3.473 -11.475 1.00 0.00 N ATOM 1758 CA ILE A 114 6.499 2.404 -12.179 1.00 0.00 C ATOM 1759 C ILE A 114 7.031 2.788 -13.548 1.00 0.00 C ATOM 1760 O ILE A 114 8.194 2.513 -13.804 1.00 0.00 O ATOM 1761 CB ILE A 114 5.611 1.123 -12.233 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.430 -0.116 -12.686 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.318 1.324 -13.066 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.595 -1.417 -12.656 1.00 0.00 C ATOM 0 H ILE A 114 5.466 4.245 -12.060 1.00 0.00 H new ATOM 0 HA ILE A 114 7.398 2.199 -11.598 1.00 0.00 H new ATOM 0 HB ILE A 114 5.274 0.927 -11.215 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.805 0.049 -13.696 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.299 -0.230 -12.038 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.740 0.400 -13.069 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.722 2.124 -12.626 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.582 1.589 -14.090 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.213 -2.254 -12.981 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.242 -1.600 -11.641 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.740 -1.316 -13.325 1.00 0.00 H new ATOM 1776 N GLY A 115 6.243 3.405 -14.460 1.00 0.00 N ATOM 1777 CA GLY A 115 6.766 3.693 -15.795 1.00 0.00 C ATOM 1778 C GLY A 115 5.833 4.620 -16.538 1.00 0.00 C ATOM 1779 O GLY A 115 5.101 4.161 -17.401 1.00 0.00 O ATOM 0 H GLY A 115 5.280 3.699 -14.296 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.753 4.148 -15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.887 2.765 -16.353 1.00 0.00 H new ATOM 1783 N GLY A 116 5.837 5.928 -16.194 1.00 0.00 N ATOM 1784 CA GLY A 116 4.871 6.846 -16.793 1.00 0.00 C ATOM 1785 C GLY A 116 3.483 6.586 -16.255 1.00 0.00 C ATOM 1786 O GLY A 116 2.528 6.892 -16.952 1.00 0.00 O ATOM 0 H GLY A 116 6.481 6.351 -15.525 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.161 7.875 -16.583 1.00 0.00 H new ATOM 0 HA3 GLY A 116 4.874 6.729 -17.877 1.00 0.00 H new ATOM 1790 N VAL A 117 3.355 6.040 -15.021 1.00 0.00 N ATOM 1791 CA VAL A 117 2.042 5.771 -14.430 1.00 0.00 C ATOM 1792 C VAL A 117 2.175 6.014 -12.942 1.00 0.00 C ATOM 1793 O VAL A 117 3.281 5.875 -12.444 1.00 0.00 O ATOM 1794 CB VAL A 117 1.576 4.312 -14.720 1.00 0.00 C ATOM 1795 CG1 VAL A 117 0.167 4.027 -14.130 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.558 4.021 -16.246 1.00 0.00 C ATOM 0 H VAL A 117 4.144 5.783 -14.428 1.00 0.00 H new ATOM 0 HA VAL A 117 1.285 6.424 -14.865 1.00 0.00 H new ATOM 0 HB VAL A 117 2.297 3.654 -14.235 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.120 3.000 -14.354 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.189 4.170 -13.050 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.558 4.711 -14.572 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.229 2.996 -16.417 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.872 4.709 -16.740 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.560 4.153 -16.653 1.00 0.00 H new ATOM 1806 N THR A 118 1.090 6.382 -12.222 1.00 0.00 N ATOM 1807 CA THR A 118 1.208 6.664 -10.791 1.00 0.00 C ATOM 1808 C THR A 118 -0.128 6.349 -10.163 1.00 0.00 C ATOM 1809 O THR A 118 -1.078 7.037 -10.501 1.00 0.00 O ATOM 1810 CB THR A 118 1.560 8.154 -10.550 1.00 0.00 C ATOM 1811 OG1 THR A 118 2.844 8.416 -11.144 1.00 0.00 O ATOM 1812 CG2 THR A 118 1.576 8.491 -9.035 1.00 0.00 C ATOM 0 H THR A 118 0.150 6.486 -12.605 1.00 0.00 H new ATOM 0 HA THR A 118 2.003 6.061 -10.353 1.00 0.00 H new ATOM 0 HB THR A 118 0.800 8.786 -11.009 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.084 9.356 -11.003 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.826 9.543 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.593 8.294 -8.608 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.320 7.873 -8.533 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.226 5.336 -9.273 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.525 4.950 -8.727 1.00 0.00 C ATOM 1822 C TYR A 119 -1.633 5.515 -7.334 1.00 0.00 C ATOM 1823 O TYR A 119 -1.295 4.817 -6.391 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.698 3.406 -8.762 1.00 0.00 C ATOM 1825 CG TYR A 119 -2.659 2.856 -7.702 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -3.877 3.491 -7.438 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -2.324 1.697 -6.991 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -4.750 2.967 -6.483 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -3.215 1.158 -6.061 1.00 0.00 C ATOM 1830 CZ TYR A 119 -4.449 1.770 -5.832 1.00 0.00 C ATOM 1831 OH TYR A 119 -5.351 1.171 -4.953 1.00 0.00 O ATOM 0 H TYR A 119 0.564 4.789 -8.931 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.335 5.357 -9.333 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.058 3.115 -9.749 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.722 2.939 -8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.143 4.390 -7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.372 1.218 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.664 3.491 -6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -2.949 0.264 -5.517 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.212 1.045 -5.403 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.111 6.777 -7.203 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.351 7.350 -5.881 1.00 0.00 C ATOM 1843 C GLU A 120 -3.727 6.995 -5.377 1.00 0.00 C ATOM 1844 O GLU A 120 -4.551 6.570 -6.172 1.00 0.00 O ATOM 1845 CB GLU A 120 -2.015 8.865 -5.804 1.00 0.00 C ATOM 1846 CG GLU A 120 -2.990 9.745 -6.620 1.00 0.00 C ATOM 1847 CD GLU A 120 -2.722 11.206 -6.360 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -1.670 11.709 -6.839 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -3.556 11.860 -5.677 1.00 0.00 O ATOM 0 H GLU A 120 -2.330 7.395 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.645 6.889 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.034 9.183 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.000 9.025 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.879 9.532 -7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.019 9.504 -6.352 1.00 0.00 H new ATOM 1856 N ARG A 121 -3.967 7.123 -4.047 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.125 6.455 -3.448 1.00 0.00 C ATOM 1858 C ARG A 121 -5.374 7.017 -2.068 1.00 0.00 C ATOM 1859 O ARG A 121 -4.416 7.537 -1.522 1.00 0.00 O ATOM 1860 CB ARG A 121 -4.745 4.946 -3.444 1.00 0.00 C ATOM 1861 CG ARG A 121 -5.731 4.025 -2.677 1.00 0.00 C ATOM 1862 CD ARG A 121 -5.229 3.775 -1.224 1.00 0.00 C ATOM 1863 NE ARG A 121 -4.237 2.691 -1.173 1.00 0.00 N ATOM 1864 CZ ARG A 121 -3.691 2.246 -0.060 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -3.889 2.811 1.108 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -2.914 1.187 -0.116 1.00 0.00 N ATOM 0 H ARG A 121 -3.393 7.663 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.057 6.607 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.676 4.601 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.753 4.837 -3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.720 4.482 -2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.832 3.075 -3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.789 4.690 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.075 3.525 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.955 2.258 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.489 3.633 1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.443 2.428 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.744 0.726 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.481 0.826 0.734 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.606 6.956 -1.502 1.00 0.00 N ATOM 1881 CA VAL A 122 -6.905 7.666 -0.259 1.00 0.00 C ATOM 1882 C VAL A 122 -7.665 6.788 0.718 1.00 0.00 C ATOM 1883 O VAL A 122 -8.879 6.899 0.782 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.665 8.988 -0.611 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -6.712 10.026 -1.270 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -8.878 8.784 -1.567 1.00 0.00 C ATOM 0 H VAL A 122 -7.389 6.428 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.978 7.926 0.252 1.00 0.00 H new ATOM 0 HB VAL A 122 -8.041 9.351 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -7.268 10.934 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.901 10.264 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.298 9.608 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -9.352 9.746 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -8.533 8.351 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -9.599 8.112 -1.102 1.00 0.00 H new ATOM 1896 N SER A 123 -7.003 5.920 1.526 1.00 0.00 N ATOM 1897 CA SER A 123 -7.763 5.182 2.533 1.00 0.00 C ATOM 1898 C SER A 123 -8.208 6.180 3.586 1.00 0.00 C ATOM 1899 O SER A 123 -7.369 6.950 4.022 1.00 0.00 O ATOM 1900 CB SER A 123 -7.060 3.964 3.186 1.00 0.00 C ATOM 1901 OG SER A 123 -7.073 2.782 2.373 1.00 0.00 O ATOM 0 H SER A 123 -6.001 5.729 1.496 1.00 0.00 H new ATOM 0 HA SER A 123 -8.599 4.719 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 123 -6.026 4.229 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.544 3.744 4.138 1.00 0.00 H new ATOM 0 HG SER A 123 -6.613 2.056 2.844 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.493 6.206 4.013 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.933 7.151 5.053 1.00 0.00 C ATOM 1909 C LYS A 124 -9.770 6.459 6.384 1.00 0.00 C ATOM 1910 O LYS A 124 -9.564 5.259 6.359 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.411 7.600 4.841 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.549 8.858 3.943 1.00 0.00 C ATOM 1913 CD LYS A 124 -11.392 10.169 4.765 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.530 11.420 3.860 1.00 0.00 C ATOM 1915 NZ LYS A 124 -11.423 12.669 4.650 1.00 0.00 N ATOM 0 H LYS A 124 -10.227 5.593 3.658 1.00 0.00 H new ATOM 0 HA LYS A 124 -9.329 8.057 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.972 6.780 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.864 7.804 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -10.795 8.829 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.522 8.850 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.147 10.201 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -10.419 10.178 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.755 11.404 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.490 11.394 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.519 13.489 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.178 12.693 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -10.497 12.703 5.122 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.853 7.174 7.534 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.489 6.595 8.833 1.00 0.00 C ATOM 1931 C ARG A 125 -10.747 6.242 9.595 1.00 0.00 C ATOM 1932 O ARG A 125 -11.163 6.987 10.468 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.571 7.571 9.621 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.925 6.899 10.865 1.00 0.00 C ATOM 1935 CD ARG A 125 -7.016 7.896 11.635 1.00 0.00 C ATOM 1936 NE ARG A 125 -6.269 7.221 12.702 1.00 0.00 N ATOM 1937 CZ ARG A 125 -6.772 6.899 13.877 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -8.016 7.140 14.224 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -5.991 6.306 14.752 1.00 0.00 N ATOM 0 H ARG A 125 -10.167 8.143 7.579 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.920 5.677 8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.786 7.940 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -9.153 8.436 9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.707 6.529 11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.338 6.036 10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.319 8.366 10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.626 8.692 12.062 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.293 6.985 12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.648 7.600 13.569 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.349 6.867 15.149 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.020 6.105 14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.356 6.047 15.668 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.363 5.089 9.249 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.654 4.688 9.805 1.00 0.00 C ATOM 1955 C LEU A 126 -12.866 3.231 9.450 1.00 0.00 C ATOM 1956 O LEU A 126 -11.875 2.565 9.193 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.763 5.652 9.285 1.00 0.00 C ATOM 1958 CG LEU A 126 -14.215 5.427 7.809 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -15.041 6.650 7.339 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -13.014 5.212 6.859 1.00 0.00 C ATOM 0 H LEU A 126 -10.975 4.423 8.582 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.690 4.767 10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.635 5.556 9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.404 6.676 9.384 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.822 4.522 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -15.360 6.499 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.917 6.764 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.428 7.549 7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -13.377 5.059 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.367 6.089 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.450 4.336 7.178 1.00 0.00 H new ATOM 1972 N ALA A 127 -14.111 2.710 9.407 1.00 0.00 N ATOM 1973 CA ALA A 127 -14.309 1.313 9.026 1.00 0.00 C ATOM 1974 C ALA A 127 -15.721 1.106 8.537 1.00 0.00 C ATOM 1975 O ALA A 127 -16.473 0.300 9.061 1.00 0.00 O ATOM 1976 CB ALA A 127 -13.965 0.403 10.232 1.00 0.00 C ATOM 0 H ALA A 127 -14.964 3.225 9.626 1.00 0.00 H new ATOM 0 HA ALA A 127 -13.644 1.047 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -14.111 -0.641 9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -12.926 0.560 10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.616 0.649 11.071 1.00 0.00 H new TER 1982 ALA A 127