USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 945 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: B 55 THR OG1 : rot 118:sc= 0.0275 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.025 USER MOD Set 2.1: A 35 ASN : amide:sc= 0.0487 X(o=0.45,f=0.35) USER MOD Set 2.2: A 42 THR OG1 : rot 97:sc= 0.398 USER MOD Set 3.1: A 24 SER OG : rot -114:sc= 0.523 USER MOD Set 3.2: A 26 SER OG : rot 180:sc= 0.441 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -2.42 F(o=-3.8,f=-2.4) USER MOD Single : A 11 SER OG : rot 136:sc= 0.949 USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0323 (180deg=-0.218) USER MOD Single : A 14 SER OG : rot 63:sc= 0.265 USER MOD Single : A 17 MET CE :methyl 166:sc= -2.13 (180deg=-2.46!) USER MOD Single : A 19 MET CE :methyl -142:sc= -4.09! (180deg=-8.4!) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0698 (180deg=-0.405) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -3.34! (180deg=-5.94!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.164 K(o=-0.16,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 161:sc= -0.173 (180deg=-0.695) USER MOD Single : B 1 MET N :NH3+ -157:sc= 1.18 (180deg=0.663) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 160:sc= -0.792 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ -168:sc= -0.0325 (180deg=-0.181) USER MOD Single : B 12 THR OG1 : rot 51:sc= 0.662 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc=-0.00103 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.179 USER MOD Single : B 25 ASN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : B 27 LYS NZ :NH3+ 138:sc= 1.26 (180deg=-0.693!) USER MOD Single : B 28 SER OG : rot 68:sc= 1.22 USER MOD Single : B 29 LYS NZ :NH3+ -151:sc= -5.78! (180deg=-7.3!) USER MOD Single : B 31 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : B 33 LYS NZ :NH3+ -169:sc= -1.58 (180deg=-2.09) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.62 F(o=-1.5!,f=-0.62) USER MOD Single : B 41 GLN : amide:sc= -3.93! C(o=-3.9!,f=-4.3!) USER MOD Single : B 48 LYS NZ :NH3+ -167:sc= -0.0398 (180deg=-0.324) USER MOD Single : B 49 GLN : amide:sc= -1.75! C(o=-1.7!,f=-4!) USER MOD Single : B 59 TYR OH : rot 30:sc= 0.132 USER MOD Single : B 60 ASN : amide:sc=-0.000164 X(o=-0.00016,f=0) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 166:sc= -0.0519 (180deg=-0.294) USER MOD Single : B 65 SER OG : rot -90:sc= -0.229 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -8.34! C(o=-8.3!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 27 N ASP A 8 15.654 2.462 -1.043 1.00 0.00 N ATOM 28 CA ASP A 8 14.684 1.963 -2.012 1.00 0.00 C ATOM 29 C ASP A 8 13.289 2.508 -1.717 1.00 0.00 C ATOM 30 O ASP A 8 12.296 1.785 -1.805 1.00 0.00 O ATOM 31 CB ASP A 8 14.667 0.433 -1.999 1.00 0.00 C ATOM 32 CG ASP A 8 13.797 -0.150 -3.096 1.00 0.00 C ATOM 33 OD1 ASP A 8 14.084 0.112 -4.283 1.00 0.00 O ATOM 34 OD2 ASP A 8 12.828 -0.866 -2.768 1.00 0.00 O ATOM 0 HA ASP A 8 14.982 2.307 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.685 0.061 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.306 0.086 -1.031 1.00 0.00 H new ATOM 39 N HIS A 9 13.214 3.790 -1.366 1.00 0.00 N ATOM 40 CA HIS A 9 11.932 4.414 -1.066 1.00 0.00 C ATOM 41 C HIS A 9 11.104 4.567 -2.336 1.00 0.00 C ATOM 42 O HIS A 9 9.879 4.664 -2.279 1.00 0.00 O ATOM 43 CB HIS A 9 12.100 5.766 -0.349 1.00 0.00 C ATOM 44 CG HIS A 9 12.413 6.942 -1.230 1.00 0.00 C ATOM 45 ND1 HIS A 9 12.948 7.029 -2.472 1.00 0.00 N flip ATOM 46 CD2 HIS A 9 12.167 8.240 -0.833 1.00 0.00 C flip ATOM 47 CE1 HIS A 9 13.010 8.363 -2.797 1.00 0.00 C flip ATOM 48 NE2 HIS A 9 12.530 9.070 -1.790 1.00 0.00 N flip ATOM 0 H HIS A 9 14.019 4.410 -1.283 1.00 0.00 H new ATOM 0 HA HIS A 9 11.399 3.756 -0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.183 5.981 0.199 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.896 5.667 0.389 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.742 8.531 0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.389 8.767 -3.724 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.453 10.087 -1.758 1.00 0.00 H new ATOM 57 N GLU A 10 11.789 4.602 -3.480 1.00 0.00 N ATOM 58 CA GLU A 10 11.129 4.758 -4.771 1.00 0.00 C ATOM 59 C GLU A 10 9.994 3.752 -4.919 1.00 0.00 C ATOM 60 O GLU A 10 8.931 4.079 -5.444 1.00 0.00 O ATOM 61 CB GLU A 10 12.139 4.580 -5.907 1.00 0.00 C ATOM 62 CG GLU A 10 12.875 3.250 -5.862 1.00 0.00 C ATOM 63 CD GLU A 10 13.886 3.107 -6.982 1.00 0.00 C ATOM 64 OE1 GLU A 10 13.477 3.151 -8.161 1.00 0.00 O ATOM 65 OE2 GLU A 10 15.089 2.950 -6.679 1.00 0.00 O ATOM 0 H GLU A 10 12.804 4.524 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 10 10.711 5.763 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.619 4.666 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.867 5.390 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.384 3.153 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.152 2.436 -5.923 1.00 0.00 H new ATOM 72 N SER A 11 10.215 2.535 -4.431 1.00 0.00 N ATOM 73 CA SER A 11 9.192 1.500 -4.486 1.00 0.00 C ATOM 74 C SER A 11 7.944 1.987 -3.755 1.00 0.00 C ATOM 75 O SER A 11 6.824 1.920 -4.276 1.00 0.00 O ATOM 76 CB SER A 11 9.716 0.209 -3.854 1.00 0.00 C ATOM 77 OG SER A 11 10.769 -0.344 -4.624 1.00 0.00 O ATOM 0 H SER A 11 11.090 2.244 -3.995 1.00 0.00 H new ATOM 0 HA SER A 11 8.938 1.292 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.068 0.412 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.905 -0.514 -3.769 1.00 0.00 H new ATOM 0 HG SER A 11 11.489 -0.639 -4.029 1.00 0.00 H new ATOM 83 N LYS A 12 8.160 2.517 -2.555 1.00 0.00 N ATOM 84 CA LYS A 12 7.077 3.060 -1.752 1.00 0.00 C ATOM 85 C LYS A 12 6.419 4.209 -2.503 1.00 0.00 C ATOM 86 O LYS A 12 5.197 4.364 -2.481 1.00 0.00 O ATOM 87 CB LYS A 12 7.612 3.544 -0.404 1.00 0.00 C ATOM 88 CG LYS A 12 8.214 2.437 0.447 1.00 0.00 C ATOM 89 CD LYS A 12 8.705 2.966 1.786 1.00 0.00 C ATOM 90 CE LYS A 12 9.301 1.858 2.640 1.00 0.00 C ATOM 91 NZ LYS A 12 10.469 1.213 1.980 1.00 0.00 N ATOM 0 H LYS A 12 9.080 2.581 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 12 6.337 2.281 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.368 4.310 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.801 4.016 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.469 1.659 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.043 1.975 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.453 3.741 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.877 3.432 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.609 2.267 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.538 1.106 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.977 0.625 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.138 0.617 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.108 1.946 1.612 1.00 0.00 H new ATOM 105 N LEU A 13 7.245 4.997 -3.187 1.00 0.00 N ATOM 106 CA LEU A 13 6.758 6.119 -3.975 1.00 0.00 C ATOM 107 C LEU A 13 5.807 5.610 -5.047 1.00 0.00 C ATOM 108 O LEU A 13 4.777 6.223 -5.326 1.00 0.00 O ATOM 109 CB LEU A 13 7.927 6.872 -4.618 1.00 0.00 C ATOM 110 CG LEU A 13 7.540 8.093 -5.458 1.00 0.00 C ATOM 111 CD1 LEU A 13 6.870 9.149 -4.593 1.00 0.00 C ATOM 112 CD2 LEU A 13 8.765 8.669 -6.153 1.00 0.00 C ATOM 0 H LEU A 13 8.258 4.876 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 13 6.227 6.809 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.606 7.195 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.480 6.178 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 13 6.828 7.775 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.603 10.008 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.970 8.732 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.556 9.465 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.473 9.536 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.499 8.971 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.202 7.913 -6.806 1.00 0.00 H new ATOM 124 N SER A 14 6.155 4.464 -5.630 1.00 0.00 N ATOM 125 CA SER A 14 5.327 3.847 -6.654 1.00 0.00 C ATOM 126 C SER A 14 3.952 3.553 -6.078 1.00 0.00 C ATOM 127 O SER A 14 2.926 3.865 -6.692 1.00 0.00 O ATOM 128 CB SER A 14 5.970 2.559 -7.169 1.00 0.00 C ATOM 129 OG SER A 14 7.256 2.811 -7.707 1.00 0.00 O ATOM 0 H SER A 14 7.006 3.947 -5.408 1.00 0.00 H new ATOM 0 HA SER A 14 5.231 4.535 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.048 1.837 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.334 2.112 -7.933 1.00 0.00 H new ATOM 0 HG SER A 14 7.847 3.143 -6.999 1.00 0.00 H new ATOM 135 N ILE A 15 3.934 2.973 -4.875 1.00 0.00 N ATOM 136 CA ILE A 15 2.673 2.673 -4.213 1.00 0.00 C ATOM 137 C ILE A 15 1.863 3.951 -4.087 1.00 0.00 C ATOM 138 O ILE A 15 0.662 3.960 -4.318 1.00 0.00 O ATOM 139 CB ILE A 15 2.858 2.094 -2.795 1.00 0.00 C ATOM 140 CG1 ILE A 15 4.052 1.139 -2.729 1.00 0.00 C ATOM 141 CG2 ILE A 15 1.592 1.378 -2.356 1.00 0.00 C ATOM 142 CD1 ILE A 15 3.952 -0.038 -3.678 1.00 0.00 C ATOM 0 H ILE A 15 4.767 2.707 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 15 2.168 1.924 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 15 3.058 2.925 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.962 1.696 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.149 0.764 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.732 0.973 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.760 2.082 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.375 0.565 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.835 -0.667 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.061 -0.620 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.887 0.326 -4.703 1.00 0.00 H new ATOM 154 N LEU A 16 2.550 5.029 -3.713 1.00 0.00 N ATOM 155 CA LEU A 16 1.921 6.333 -3.543 1.00 0.00 C ATOM 156 C LEU A 16 1.254 6.802 -4.832 1.00 0.00 C ATOM 157 O LEU A 16 0.156 7.350 -4.799 1.00 0.00 O ATOM 158 CB LEU A 16 2.956 7.363 -3.088 1.00 0.00 C ATOM 159 CG LEU A 16 3.579 7.101 -1.717 1.00 0.00 C ATOM 160 CD1 LEU A 16 4.646 8.142 -1.412 1.00 0.00 C ATOM 161 CD2 LEU A 16 2.508 7.102 -0.636 1.00 0.00 C ATOM 0 H LEU A 16 3.552 5.022 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 16 1.150 6.234 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.754 7.404 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.484 8.345 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 16 4.050 6.118 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.080 7.942 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.427 8.096 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.196 9.135 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.969 6.914 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.009 8.071 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.777 6.322 -0.847 1.00 0.00 H new ATOM 173 N MET A 17 1.918 6.592 -5.964 1.00 0.00 N ATOM 174 CA MET A 17 1.364 7.006 -7.248 1.00 0.00 C ATOM 175 C MET A 17 0.057 6.276 -7.537 1.00 0.00 C ATOM 176 O MET A 17 -0.956 6.902 -7.845 1.00 0.00 O ATOM 177 CB MET A 17 2.363 6.760 -8.381 1.00 0.00 C ATOM 178 CG MET A 17 3.559 7.699 -8.353 1.00 0.00 C ATOM 179 SD MET A 17 4.592 7.551 -9.823 1.00 0.00 S ATOM 180 CE MET A 17 5.196 5.876 -9.656 1.00 0.00 C ATOM 0 H MET A 17 2.832 6.142 -6.019 1.00 0.00 H new ATOM 0 HA MET A 17 1.161 8.075 -7.191 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.718 5.731 -8.324 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.850 6.867 -9.337 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.207 8.727 -8.263 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.160 7.489 -7.468 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.639 5.553 -10.598 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.949 5.838 -8.869 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.368 5.215 -9.399 1.00 0.00 H new ATOM 190 N ASP A 18 0.081 4.951 -7.426 1.00 0.00 N ATOM 191 CA ASP A 18 -1.114 4.146 -7.670 1.00 0.00 C ATOM 192 C ASP A 18 -2.163 4.404 -6.588 1.00 0.00 C ATOM 193 O ASP A 18 -3.364 4.421 -6.858 1.00 0.00 O ATOM 194 CB ASP A 18 -0.752 2.659 -7.715 1.00 0.00 C ATOM 195 CG ASP A 18 -1.941 1.777 -8.051 1.00 0.00 C ATOM 196 OD1 ASP A 18 -2.916 1.768 -7.270 1.00 0.00 O ATOM 197 OD2 ASP A 18 -1.896 1.095 -9.096 1.00 0.00 O ATOM 0 H ASP A 18 0.909 4.413 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.534 4.433 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.032 2.502 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.344 2.359 -6.750 1.00 0.00 H new ATOM 202 N MET A 19 -1.689 4.605 -5.364 1.00 0.00 N ATOM 203 CA MET A 19 -2.552 4.866 -4.220 1.00 0.00 C ATOM 204 C MET A 19 -3.216 6.237 -4.321 1.00 0.00 C ATOM 205 O MET A 19 -4.346 6.424 -3.869 1.00 0.00 O ATOM 206 CB MET A 19 -1.735 4.764 -2.929 1.00 0.00 C ATOM 207 CG MET A 19 -1.550 3.345 -2.431 1.00 0.00 C ATOM 208 SD MET A 19 -0.668 3.287 -0.864 1.00 0.00 S ATOM 209 CE MET A 19 -1.702 2.152 0.052 1.00 0.00 C ATOM 0 H MET A 19 -0.695 4.591 -5.137 1.00 0.00 H new ATOM 0 HA MET A 19 -3.345 4.118 -4.210 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.755 5.211 -3.094 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.226 5.350 -2.152 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.525 2.872 -2.315 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.002 2.768 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.767 2.476 1.091 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.700 2.135 -0.386 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.270 1.152 0.010 1.00 0.00 H new ATOM 219 N PHE A 20 -2.505 7.195 -4.911 1.00 0.00 N ATOM 220 CA PHE A 20 -3.022 8.552 -5.067 1.00 0.00 C ATOM 221 C PHE A 20 -2.714 9.088 -6.466 1.00 0.00 C ATOM 222 O PHE A 20 -1.951 10.043 -6.618 1.00 0.00 O ATOM 223 CB PHE A 20 -2.418 9.485 -4.010 1.00 0.00 C ATOM 224 CG PHE A 20 -2.330 8.874 -2.640 1.00 0.00 C ATOM 225 CD1 PHE A 20 -3.408 8.919 -1.770 1.00 0.00 C ATOM 226 CD2 PHE A 20 -1.167 8.244 -2.228 1.00 0.00 C ATOM 227 CE1 PHE A 20 -3.325 8.346 -0.513 1.00 0.00 C ATOM 228 CE2 PHE A 20 -1.080 7.669 -0.975 1.00 0.00 C ATOM 229 CZ PHE A 20 -2.160 7.721 -0.117 1.00 0.00 C ATOM 0 H PHE A 20 -1.568 7.056 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.103 8.518 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.419 9.782 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.019 10.393 -3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.322 9.406 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.318 8.202 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.171 8.388 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.168 7.179 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.093 7.273 0.863 1.00 0.00 H new ATOM 239 N PRO A 21 -3.298 8.471 -7.512 1.00 0.00 N ATOM 240 CA PRO A 21 -3.075 8.885 -8.903 1.00 0.00 C ATOM 241 C PRO A 21 -3.264 10.383 -9.105 1.00 0.00 C ATOM 242 O PRO A 21 -2.482 11.028 -9.804 1.00 0.00 O ATOM 243 CB PRO A 21 -4.137 8.103 -9.676 1.00 0.00 C ATOM 244 CG PRO A 21 -4.375 6.886 -8.854 1.00 0.00 C ATOM 245 CD PRO A 21 -4.218 7.318 -7.424 1.00 0.00 C ATOM 0 HA PRO A 21 -2.054 8.685 -9.228 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.050 8.686 -9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.790 7.845 -10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.372 6.483 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.663 6.100 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.174 7.600 -6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.804 6.521 -6.807 1.00 0.00 H new ATOM 253 N ALA A 22 -4.304 10.933 -8.487 1.00 0.00 N ATOM 254 CA ALA A 22 -4.593 12.357 -8.598 1.00 0.00 C ATOM 255 C ALA A 22 -3.432 13.193 -8.071 1.00 0.00 C ATOM 256 O ALA A 22 -3.024 14.172 -8.695 1.00 0.00 O ATOM 257 CB ALA A 22 -5.874 12.696 -7.849 1.00 0.00 C ATOM 0 H ALA A 22 -4.960 10.414 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.729 12.595 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.077 13.763 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.704 12.131 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.759 12.438 -6.796 1.00 0.00 H new ATOM 263 N ILE A 23 -2.903 12.796 -6.917 1.00 0.00 N ATOM 264 CA ILE A 23 -1.786 13.505 -6.302 1.00 0.00 C ATOM 265 C ILE A 23 -0.505 13.331 -7.115 1.00 0.00 C ATOM 266 O ILE A 23 -0.168 12.223 -7.532 1.00 0.00 O ATOM 267 CB ILE A 23 -1.539 13.016 -4.861 1.00 0.00 C ATOM 268 CG1 ILE A 23 -2.794 13.227 -4.010 1.00 0.00 C ATOM 269 CG2 ILE A 23 -0.346 13.741 -4.253 1.00 0.00 C ATOM 270 CD1 ILE A 23 -2.668 12.696 -2.598 1.00 0.00 C ATOM 0 H ILE A 23 -3.230 11.987 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.055 14.561 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.314 11.950 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.020 14.293 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.639 12.741 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.184 13.385 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.543 13.544 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.542 14.813 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.595 12.881 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.473 11.624 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.845 13.200 -2.092 1.00 0.00 H new ATOM 282 N SER A 24 0.205 14.434 -7.331 1.00 0.00 N ATOM 283 CA SER A 24 1.453 14.411 -8.088 1.00 0.00 C ATOM 284 C SER A 24 2.520 13.602 -7.355 1.00 0.00 C ATOM 285 O SER A 24 2.628 13.667 -6.130 1.00 0.00 O ATOM 286 CB SER A 24 1.954 15.835 -8.331 1.00 0.00 C ATOM 287 OG SER A 24 3.180 15.832 -9.042 1.00 0.00 O ATOM 0 H SER A 24 -0.063 15.358 -6.992 1.00 0.00 H new ATOM 0 HA SER A 24 1.257 13.934 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.206 16.396 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.085 16.345 -7.377 1.00 0.00 H new ATOM 0 HG SER A 24 3.892 16.182 -8.467 1.00 0.00 H new ATOM 293 N LYS A 25 3.305 12.840 -8.112 1.00 0.00 N ATOM 294 CA LYS A 25 4.365 12.016 -7.536 1.00 0.00 C ATOM 295 C LYS A 25 5.332 12.861 -6.712 1.00 0.00 C ATOM 296 O LYS A 25 5.822 12.420 -5.673 1.00 0.00 O ATOM 297 CB LYS A 25 5.134 11.282 -8.634 1.00 0.00 C ATOM 298 CG LYS A 25 6.194 10.333 -8.095 1.00 0.00 C ATOM 299 CD LYS A 25 6.997 9.685 -9.211 1.00 0.00 C ATOM 300 CE LYS A 25 7.854 10.697 -9.949 1.00 0.00 C ATOM 301 NZ LYS A 25 8.817 11.378 -9.040 1.00 0.00 N ATOM 0 H LYS A 25 3.227 12.776 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 25 3.893 11.285 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.430 10.719 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.610 12.014 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.867 10.879 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.716 9.559 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.634 8.904 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.318 9.202 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.401 10.196 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.212 11.441 -10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.553 11.849 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.313 12.086 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.258 10.676 -8.412 1.00 0.00 H new ATOM 315 N SER A 26 5.609 14.072 -7.188 1.00 0.00 N ATOM 316 CA SER A 26 6.525 14.976 -6.499 1.00 0.00 C ATOM 317 C SER A 26 6.086 15.211 -5.056 1.00 0.00 C ATOM 318 O SER A 26 6.891 15.112 -4.129 1.00 0.00 O ATOM 319 CB SER A 26 6.611 16.310 -7.242 1.00 0.00 C ATOM 320 OG SER A 26 5.342 16.937 -7.310 1.00 0.00 O ATOM 0 H SER A 26 5.212 14.450 -8.048 1.00 0.00 H new ATOM 0 HA SER A 26 7.510 14.509 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.318 16.967 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.993 16.145 -8.249 1.00 0.00 H new ATOM 0 HG SER A 26 5.423 17.789 -7.788 1.00 0.00 H new ATOM 326 N LYS A 27 4.806 15.519 -4.872 1.00 0.00 N ATOM 327 CA LYS A 27 4.263 15.764 -3.541 1.00 0.00 C ATOM 328 C LYS A 27 4.410 14.525 -2.664 1.00 0.00 C ATOM 329 O LYS A 27 4.857 14.612 -1.519 1.00 0.00 O ATOM 330 CB LYS A 27 2.793 16.167 -3.641 1.00 0.00 C ATOM 331 CG LYS A 27 2.160 16.494 -2.299 1.00 0.00 C ATOM 332 CD LYS A 27 0.703 16.912 -2.447 1.00 0.00 C ATOM 333 CE LYS A 27 0.558 18.274 -3.113 1.00 0.00 C ATOM 334 NZ LYS A 27 0.982 18.256 -4.540 1.00 0.00 N ATOM 0 H LYS A 27 4.126 15.605 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 27 4.824 16.578 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.706 17.034 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.234 15.357 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.224 15.624 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.721 17.295 -1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.170 16.164 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.233 16.939 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.481 18.598 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.154 19.007 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.402 18.927 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.983 18.530 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.858 17.299 -4.927 1.00 0.00 H new ATOM 348 N LEU A 28 4.038 13.374 -3.212 1.00 0.00 N ATOM 349 CA LEU A 28 4.133 12.114 -2.488 1.00 0.00 C ATOM 350 C LEU A 28 5.571 11.857 -2.042 1.00 0.00 C ATOM 351 O LEU A 28 5.812 11.394 -0.928 1.00 0.00 O ATOM 352 CB LEU A 28 3.630 10.965 -3.366 1.00 0.00 C ATOM 353 CG LEU A 28 2.147 11.043 -3.740 1.00 0.00 C ATOM 354 CD1 LEU A 28 1.804 10.005 -4.796 1.00 0.00 C ATOM 355 CD2 LEU A 28 1.277 10.858 -2.505 1.00 0.00 C ATOM 0 H LEU A 28 3.667 13.288 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 28 3.507 12.175 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.220 10.941 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.810 10.024 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 28 1.949 12.031 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.746 10.078 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.402 10.184 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.018 9.008 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.226 10.916 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.479 9.884 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.502 11.641 -1.781 1.00 0.00 H new ATOM 367 N GLN A 29 6.523 12.177 -2.916 1.00 0.00 N ATOM 368 CA GLN A 29 7.939 11.996 -2.611 1.00 0.00 C ATOM 369 C GLN A 29 8.349 12.872 -1.431 1.00 0.00 C ATOM 370 O GLN A 29 9.080 12.431 -0.544 1.00 0.00 O ATOM 371 CB GLN A 29 8.796 12.332 -3.834 1.00 0.00 C ATOM 372 CG GLN A 29 10.291 12.212 -3.584 1.00 0.00 C ATOM 373 CD GLN A 29 11.117 12.511 -4.820 1.00 0.00 C ATOM 374 OE1 GLN A 29 11.040 13.602 -5.384 1.00 0.00 O ATOM 375 NE2 GLN A 29 11.916 11.539 -5.247 1.00 0.00 N ATOM 0 H GLN A 29 6.338 12.563 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 29 8.100 10.952 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.519 11.669 -4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.571 13.349 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.578 12.897 -2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.517 11.204 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.948 10.650 -4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.497 11.682 -6.073 1.00 0.00 H new ATOM 384 N VAL A 30 7.870 14.113 -1.429 1.00 0.00 N ATOM 385 CA VAL A 30 8.183 15.053 -0.359 1.00 0.00 C ATOM 386 C VAL A 30 7.727 14.517 0.996 1.00 0.00 C ATOM 387 O VAL A 30 8.493 14.511 1.962 1.00 0.00 O ATOM 388 CB VAL A 30 7.524 16.425 -0.605 1.00 0.00 C ATOM 389 CG1 VAL A 30 7.849 17.390 0.525 1.00 0.00 C ATOM 390 CG2 VAL A 30 7.967 16.996 -1.943 1.00 0.00 C ATOM 0 H VAL A 30 7.263 14.490 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 30 9.266 15.175 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 30 6.443 16.286 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.374 18.351 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.478 16.986 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.929 17.525 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.492 17.965 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.050 17.118 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.676 16.315 -2.743 1.00 0.00 H new ATOM 400 N HIS A 31 6.478 14.063 1.061 1.00 0.00 N ATOM 401 CA HIS A 31 5.926 13.522 2.298 1.00 0.00 C ATOM 402 C HIS A 31 6.730 12.312 2.764 1.00 0.00 C ATOM 403 O HIS A 31 7.005 12.158 3.955 1.00 0.00 O ATOM 404 CB HIS A 31 4.460 13.130 2.106 1.00 0.00 C ATOM 405 CG HIS A 31 3.572 14.282 1.750 1.00 0.00 C ATOM 406 ND1 HIS A 31 3.402 15.383 2.561 1.00 0.00 N ATOM 407 CD2 HIS A 31 2.798 14.497 0.659 1.00 0.00 C ATOM 408 CE1 HIS A 31 2.561 16.225 1.987 1.00 0.00 C ATOM 409 NE2 HIS A 31 2.181 15.711 0.832 1.00 0.00 N ATOM 0 H HIS A 31 5.831 14.059 0.273 1.00 0.00 H new ATOM 0 HA HIS A 31 5.987 14.297 3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.394 12.376 1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.093 12.669 3.023 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.855 15.526 3.464 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.687 13.837 -0.188 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.239 17.172 2.394 1.00 0.00 H new ATOM 418 N LEU A 32 7.105 11.459 1.816 1.00 0.00 N ATOM 419 CA LEU A 32 7.878 10.261 2.122 1.00 0.00 C ATOM 420 C LEU A 32 9.223 10.627 2.744 1.00 0.00 C ATOM 421 O LEU A 32 9.664 9.999 3.707 1.00 0.00 O ATOM 422 CB LEU A 32 8.093 9.435 0.850 1.00 0.00 C ATOM 423 CG LEU A 32 8.845 8.116 1.044 1.00 0.00 C ATOM 424 CD1 LEU A 32 8.085 7.198 1.991 1.00 0.00 C ATOM 425 CD2 LEU A 32 9.064 7.431 -0.295 1.00 0.00 C ATOM 0 H LEU A 32 6.885 11.576 0.827 1.00 0.00 H new ATOM 0 HA LEU A 32 7.318 9.666 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.120 9.218 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.640 10.043 0.130 1.00 0.00 H new ATOM 0 HG LEU A 32 9.816 8.336 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.637 6.266 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.974 7.686 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.100 6.984 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.600 6.494 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.100 7.225 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.649 8.081 -0.945 1.00 0.00 H new ATOM 437 N LEU A 33 9.869 11.647 2.187 1.00 0.00 N ATOM 438 CA LEU A 33 11.163 12.101 2.686 1.00 0.00 C ATOM 439 C LEU A 33 11.055 12.610 4.120 1.00 0.00 C ATOM 440 O LEU A 33 11.896 12.296 4.962 1.00 0.00 O ATOM 441 CB LEU A 33 11.727 13.203 1.785 1.00 0.00 C ATOM 442 CG LEU A 33 12.076 12.765 0.361 1.00 0.00 C ATOM 443 CD1 LEU A 33 12.592 13.944 -0.449 1.00 0.00 C ATOM 444 CD2 LEU A 33 13.104 11.643 0.385 1.00 0.00 C ATOM 0 H LEU A 33 9.517 12.175 1.389 1.00 0.00 H new ATOM 0 HA LEU A 33 11.841 11.247 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.000 14.013 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.624 13.610 2.253 1.00 0.00 H new ATOM 0 HG LEU A 33 11.170 12.391 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.835 13.613 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.825 14.717 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.486 14.348 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.340 11.344 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.011 11.991 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.698 10.789 0.928 1.00 0.00 H new ATOM 456 N GLU A 34 10.019 13.403 4.390 1.00 0.00 N ATOM 457 CA GLU A 34 9.811 13.960 5.724 1.00 0.00 C ATOM 458 C GLU A 34 9.681 12.856 6.771 1.00 0.00 C ATOM 459 O GLU A 34 10.407 12.845 7.765 1.00 0.00 O ATOM 460 CB GLU A 34 8.561 14.842 5.741 1.00 0.00 C ATOM 461 CG GLU A 34 8.634 16.018 4.780 1.00 0.00 C ATOM 462 CD GLU A 34 7.387 16.881 4.821 1.00 0.00 C ATOM 463 OE1 GLU A 34 6.290 16.351 4.553 1.00 0.00 O ATOM 464 OE2 GLU A 34 7.511 18.087 5.122 1.00 0.00 O ATOM 0 H GLU A 34 9.313 13.673 3.705 1.00 0.00 H new ATOM 0 HA GLU A 34 10.683 14.566 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.693 14.232 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.406 15.219 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.503 16.629 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.781 15.646 3.766 1.00 0.00 H new ATOM 471 N ASN A 35 8.754 11.929 6.543 1.00 0.00 N ATOM 472 CA ASN A 35 8.536 10.823 7.470 1.00 0.00 C ATOM 473 C ASN A 35 9.560 9.712 7.248 1.00 0.00 C ATOM 474 O ASN A 35 9.238 8.531 7.366 1.00 0.00 O ATOM 475 CB ASN A 35 7.117 10.270 7.311 1.00 0.00 C ATOM 476 CG ASN A 35 6.056 11.299 7.648 1.00 0.00 C ATOM 477 OD1 ASN A 35 6.007 11.815 8.764 1.00 0.00 O ATOM 478 ND2 ASN A 35 5.197 11.603 6.682 1.00 0.00 N ATOM 0 H ASN A 35 8.143 11.922 5.726 1.00 0.00 H new ATOM 0 HA ASN A 35 8.659 11.203 8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.976 9.928 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.994 9.400 7.956 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.461 12.288 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.274 11.151 5.771 1.00 0.00 H new ATOM 485 N ASN A 36 10.792 10.111 6.929 1.00 0.00 N ATOM 486 CA ASN A 36 11.888 9.174 6.684 1.00 0.00 C ATOM 487 C ASN A 36 11.615 8.312 5.455 1.00 0.00 C ATOM 488 O ASN A 36 12.226 8.507 4.403 1.00 0.00 O ATOM 489 CB ASN A 36 12.121 8.286 7.909 1.00 0.00 C ATOM 490 CG ASN A 36 12.510 9.086 9.136 1.00 0.00 C ATOM 491 OD1 ASN A 36 13.516 9.796 9.135 1.00 0.00 O ATOM 492 ND2 ASN A 36 11.714 8.975 10.192 1.00 0.00 N ATOM 0 H ASN A 36 11.057 11.091 6.833 1.00 0.00 H new ATOM 0 HA ASN A 36 12.788 9.759 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.215 7.718 8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.905 7.563 7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.926 9.490 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.890 8.375 10.149 1.00 0.00 H new ATOM 499 N ASN A 37 10.691 7.366 5.597 1.00 0.00 N ATOM 500 CA ASN A 37 10.323 6.469 4.504 1.00 0.00 C ATOM 501 C ASN A 37 9.288 5.445 4.966 1.00 0.00 C ATOM 502 O ASN A 37 9.311 4.291 4.538 1.00 0.00 O ATOM 503 CB ASN A 37 11.561 5.743 3.968 1.00 0.00 C ATOM 504 CG ASN A 37 12.272 4.940 5.040 1.00 0.00 C ATOM 505 OD1 ASN A 37 12.715 5.486 6.051 1.00 0.00 O ATOM 506 ND2 ASN A 37 12.387 3.635 4.822 1.00 0.00 N ATOM 0 H ASN A 37 10.180 7.200 6.464 1.00 0.00 H new ATOM 0 HA ASN A 37 9.888 7.072 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.265 5.078 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.252 6.473 3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.857 3.043 5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.005 3.225 3.970 1.00 0.00 H new ATOM 513 N ASP A 38 8.383 5.872 5.841 1.00 0.00 N ATOM 514 CA ASP A 38 7.344 4.983 6.356 1.00 0.00 C ATOM 515 C ASP A 38 6.038 5.160 5.583 1.00 0.00 C ATOM 516 O ASP A 38 5.563 6.280 5.395 1.00 0.00 O ATOM 517 CB ASP A 38 7.116 5.247 7.847 1.00 0.00 C ATOM 518 CG ASP A 38 6.164 4.247 8.480 1.00 0.00 C ATOM 519 OD1 ASP A 38 5.684 3.343 7.763 1.00 0.00 O ATOM 520 OD2 ASP A 38 5.902 4.366 9.695 1.00 0.00 O ATOM 0 H ASP A 38 8.347 6.823 6.208 1.00 0.00 H new ATOM 0 HA ASP A 38 7.680 3.954 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.073 5.212 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.718 6.254 7.977 1.00 0.00 H new ATOM 525 N LEU A 39 5.464 4.045 5.137 1.00 0.00 N ATOM 526 CA LEU A 39 4.214 4.071 4.383 1.00 0.00 C ATOM 527 C LEU A 39 3.000 4.231 5.294 1.00 0.00 C ATOM 528 O LEU A 39 2.085 4.991 4.987 1.00 0.00 O ATOM 529 CB LEU A 39 4.070 2.800 3.542 1.00 0.00 C ATOM 530 CG LEU A 39 5.010 2.712 2.340 1.00 0.00 C ATOM 531 CD1 LEU A 39 4.821 1.393 1.607 1.00 0.00 C ATOM 532 CD2 LEU A 39 4.774 3.883 1.396 1.00 0.00 C ATOM 0 H LEU A 39 5.846 3.111 5.285 1.00 0.00 H new ATOM 0 HA LEU A 39 4.253 4.939 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.243 1.936 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.042 2.732 3.186 1.00 0.00 H new ATOM 0 HG LEU A 39 6.037 2.759 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.499 1.350 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.036 0.566 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.792 1.316 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.451 3.806 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.743 3.863 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.959 4.819 1.924 1.00 0.00 H new ATOM 544 N ASP A 40 2.986 3.502 6.403 1.00 0.00 N ATOM 545 CA ASP A 40 1.866 3.561 7.337 1.00 0.00 C ATOM 546 C ASP A 40 1.591 4.993 7.798 1.00 0.00 C ATOM 547 O ASP A 40 0.453 5.460 7.746 1.00 0.00 O ATOM 548 CB ASP A 40 2.146 2.666 8.547 1.00 0.00 C ATOM 549 CG ASP A 40 0.984 2.620 9.522 1.00 0.00 C ATOM 550 OD1 ASP A 40 0.635 3.680 10.086 1.00 0.00 O ATOM 551 OD2 ASP A 40 0.423 1.523 9.724 1.00 0.00 O ATOM 0 H ASP A 40 3.734 2.865 6.678 1.00 0.00 H new ATOM 0 HA ASP A 40 0.978 3.202 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.367 1.656 8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.035 3.028 9.064 1.00 0.00 H new ATOM 556 N LEU A 41 2.633 5.680 8.254 1.00 0.00 N ATOM 557 CA LEU A 41 2.501 7.043 8.732 1.00 0.00 C ATOM 558 C LEU A 41 2.188 8.019 7.600 1.00 0.00 C ATOM 559 O LEU A 41 1.179 8.729 7.638 1.00 0.00 O ATOM 560 CB LEU A 41 3.793 7.451 9.431 1.00 0.00 C ATOM 561 CG LEU A 41 4.141 6.643 10.683 1.00 0.00 C ATOM 562 CD1 LEU A 41 5.463 7.114 11.270 1.00 0.00 C ATOM 563 CD2 LEU A 41 3.030 6.749 11.718 1.00 0.00 C ATOM 0 H LEU A 41 3.582 5.309 8.301 1.00 0.00 H new ATOM 0 HA LEU A 41 1.665 7.081 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.615 7.362 8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.722 8.503 9.706 1.00 0.00 H new ATOM 0 HG LEU A 41 4.243 5.596 10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.695 6.529 12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.255 6.984 10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.387 8.168 11.539 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.298 6.167 12.600 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.894 7.793 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.102 6.363 11.297 1.00 0.00 H new ATOM 575 N THR A 42 3.063 8.059 6.599 1.00 0.00 N ATOM 576 CA THR A 42 2.886 8.958 5.465 1.00 0.00 C ATOM 577 C THR A 42 1.538 8.743 4.789 1.00 0.00 C ATOM 578 O THR A 42 0.702 9.645 4.756 1.00 0.00 O ATOM 579 CB THR A 42 4.004 8.774 4.420 1.00 0.00 C ATOM 580 OG1 THR A 42 5.283 8.991 5.028 1.00 0.00 O ATOM 581 CG2 THR A 42 3.825 9.735 3.255 1.00 0.00 C ATOM 0 H THR A 42 3.901 7.479 6.551 1.00 0.00 H new ATOM 0 HA THR A 42 2.930 9.972 5.863 1.00 0.00 H new ATOM 0 HB THR A 42 3.948 7.754 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.677 8.129 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.627 9.584 2.532 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.864 9.550 2.775 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.855 10.761 3.622 1.00 0.00 H new ATOM 589 N ILE A 43 1.330 7.544 4.256 1.00 0.00 N ATOM 590 CA ILE A 43 0.080 7.220 3.582 1.00 0.00 C ATOM 591 C ILE A 43 -1.113 7.423 4.509 1.00 0.00 C ATOM 592 O ILE A 43 -2.154 7.925 4.084 1.00 0.00 O ATOM 593 CB ILE A 43 0.075 5.772 3.057 1.00 0.00 C ATOM 594 CG1 ILE A 43 1.264 5.545 2.123 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.230 5.477 2.338 1.00 0.00 C ATOM 596 CD1 ILE A 43 1.364 4.125 1.606 1.00 0.00 C ATOM 0 H ILE A 43 2.009 6.783 4.278 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.004 7.899 2.734 1.00 0.00 H new ATOM 0 HB ILE A 43 0.164 5.091 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.186 6.227 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.184 5.797 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.220 4.450 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.063 5.608 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.345 6.161 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.230 4.037 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.474 3.439 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.460 3.876 1.050 1.00 0.00 H new ATOM 608 N GLY A 44 -0.956 7.038 5.774 1.00 0.00 N ATOM 609 CA GLY A 44 -2.035 7.198 6.732 1.00 0.00 C ATOM 610 C GLY A 44 -2.572 8.614 6.745 1.00 0.00 C ATOM 611 O GLY A 44 -3.785 8.827 6.723 1.00 0.00 O ATOM 0 H GLY A 44 -0.105 6.620 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.841 6.506 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.678 6.936 7.728 1.00 0.00 H new ATOM 615 N LEU A 45 -1.664 9.586 6.770 1.00 0.00 N ATOM 616 CA LEU A 45 -2.050 10.992 6.772 1.00 0.00 C ATOM 617 C LEU A 45 -2.642 11.393 5.422 1.00 0.00 C ATOM 618 O LEU A 45 -3.606 12.154 5.358 1.00 0.00 O ATOM 619 CB LEU A 45 -0.841 11.873 7.100 1.00 0.00 C ATOM 620 CG LEU A 45 -0.166 11.576 8.441 1.00 0.00 C ATOM 621 CD1 LEU A 45 1.013 12.511 8.661 1.00 0.00 C ATOM 622 CD2 LEU A 45 -1.163 11.698 9.585 1.00 0.00 C ATOM 0 H LEU A 45 -0.657 9.425 6.789 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.812 11.137 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.103 11.760 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.158 12.916 7.094 1.00 0.00 H new ATOM 0 HG LEU A 45 0.204 10.551 8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.482 12.286 9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.740 12.374 7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.663 13.543 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.662 11.483 10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.565 12.711 9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.976 10.988 9.436 1.00 0.00 H new ATOM 634 N LEU A 46 -2.054 10.869 4.349 1.00 0.00 N ATOM 635 CA LEU A 46 -2.511 11.160 2.992 1.00 0.00 C ATOM 636 C LEU A 46 -3.986 10.812 2.805 1.00 0.00 C ATOM 637 O LEU A 46 -4.717 11.535 2.129 1.00 0.00 O ATOM 638 CB LEU A 46 -1.664 10.390 1.973 1.00 0.00 C ATOM 639 CG LEU A 46 -0.415 11.118 1.463 1.00 0.00 C ATOM 640 CD1 LEU A 46 -0.809 12.298 0.590 1.00 0.00 C ATOM 641 CD2 LEU A 46 0.458 11.583 2.619 1.00 0.00 C ATOM 0 H LEU A 46 -1.255 10.237 4.394 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.395 12.232 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.354 9.447 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.293 10.143 1.118 1.00 0.00 H new ATOM 0 HG LEU A 46 0.164 10.415 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.089 12.804 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.386 11.942 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.413 12.995 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.337 12.096 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.109 12.266 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.773 10.721 3.207 1.00 0.00 H new ATOM 653 N LEU A 47 -4.418 9.702 3.397 1.00 0.00 N ATOM 654 CA LEU A 47 -5.808 9.268 3.279 1.00 0.00 C ATOM 655 C LEU A 47 -6.760 10.376 3.720 1.00 0.00 C ATOM 656 O LEU A 47 -7.715 10.705 3.016 1.00 0.00 O ATOM 657 CB LEU A 47 -6.052 8.015 4.120 1.00 0.00 C ATOM 658 CG LEU A 47 -5.064 6.871 3.887 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.418 5.679 4.762 1.00 0.00 C ATOM 660 CD2 LEU A 47 -5.038 6.471 2.419 1.00 0.00 C ATOM 0 H LEU A 47 -3.829 9.089 3.961 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.999 9.036 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.020 8.292 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.059 7.651 3.917 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.067 7.217 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.706 4.873 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.379 5.973 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.423 5.335 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.329 5.656 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.032 6.145 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.735 7.326 1.814 1.00 0.00 H new ATOM 672 N LYS A 48 -6.490 10.946 4.890 1.00 0.00 N ATOM 673 CA LYS A 48 -7.318 12.020 5.434 1.00 0.00 C ATOM 674 C LYS A 48 -6.906 13.374 4.861 1.00 0.00 C ATOM 675 O LYS A 48 -6.807 14.363 5.589 1.00 0.00 O ATOM 676 CB LYS A 48 -7.214 12.042 6.960 1.00 0.00 C ATOM 677 CG LYS A 48 -7.634 10.735 7.617 1.00 0.00 C ATOM 678 CD LYS A 48 -7.440 10.768 9.127 1.00 0.00 C ATOM 679 CE LYS A 48 -8.354 11.787 9.792 1.00 0.00 C ATOM 680 NZ LYS A 48 -8.184 11.803 11.272 1.00 0.00 N ATOM 0 H LYS A 48 -5.702 10.682 5.482 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.353 11.830 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.186 12.267 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.835 12.850 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.681 10.535 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.054 9.914 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.637 9.779 9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.401 11.008 9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.144 12.779 9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.391 11.558 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.824 12.510 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.409 10.864 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.200 12.047 11.506 1.00 0.00 H new ATOM 694 N GLU A 49 -6.663 13.413 3.554 1.00 0.00 N ATOM 695 CA GLU A 49 -6.257 14.648 2.888 1.00 0.00 C ATOM 696 C GLU A 49 -7.412 15.643 2.805 1.00 0.00 C ATOM 697 O GLU A 49 -7.244 16.826 3.104 1.00 0.00 O ATOM 698 CB GLU A 49 -5.730 14.344 1.483 1.00 0.00 C ATOM 699 CG GLU A 49 -5.292 15.579 0.709 1.00 0.00 C ATOM 700 CD GLU A 49 -4.115 16.296 1.349 1.00 0.00 C ATOM 701 OE1 GLU A 49 -3.594 15.798 2.370 1.00 0.00 O ATOM 702 OE2 GLU A 49 -3.709 17.354 0.823 1.00 0.00 O ATOM 0 H GLU A 49 -6.740 12.606 2.936 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.462 15.100 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.886 13.659 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.507 13.829 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.024 15.288 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.132 16.269 0.632 1.00 0.00 H new ATOM 782 N MET B 1 -17.599 -10.286 -8.223 1.00 0.00 N ATOM 783 CA MET B 1 -16.585 -9.724 -9.153 1.00 0.00 C ATOM 784 C MET B 1 -15.188 -9.778 -8.538 1.00 0.00 C ATOM 785 O MET B 1 -14.989 -9.390 -7.386 1.00 0.00 O ATOM 786 CB MET B 1 -16.975 -8.281 -9.479 1.00 0.00 C ATOM 787 CG MET B 1 -16.051 -7.610 -10.482 1.00 0.00 C ATOM 788 SD MET B 1 -16.582 -5.938 -10.904 1.00 0.00 S ATOM 789 CE MET B 1 -16.533 -5.146 -9.298 1.00 0.00 C ATOM 0 H1 MET B 1 -18.430 -10.600 -8.764 1.00 0.00 H new ATOM 0 H2 MET B 1 -17.192 -11.096 -7.714 1.00 0.00 H new ATOM 0 H3 MET B 1 -17.886 -9.556 -7.540 1.00 0.00 H new ATOM 0 HA MET B 1 -16.560 -10.318 -10.067 1.00 0.00 H new ATOM 0 HB2 MET B 1 -17.992 -8.269 -9.871 1.00 0.00 H new ATOM 0 HB3 MET B 1 -16.981 -7.699 -8.558 1.00 0.00 H new ATOM 0 HG2 MET B 1 -15.041 -7.574 -10.073 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.006 -8.213 -11.389 1.00 0.00 H new ATOM 0 HE1 MET B 1 -16.501 -4.064 -9.427 1.00 0.00 H new ATOM 0 HE2 MET B 1 -17.423 -5.418 -8.731 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.645 -5.473 -8.758 1.00 0.00 H new ATOM 801 N GLN B 2 -14.228 -10.272 -9.314 1.00 0.00 N ATOM 802 CA GLN B 2 -12.849 -10.394 -8.852 1.00 0.00 C ATOM 803 C GLN B 2 -12.199 -9.028 -8.645 1.00 0.00 C ATOM 804 O GLN B 2 -12.402 -8.105 -9.435 1.00 0.00 O ATOM 805 CB GLN B 2 -12.027 -11.208 -9.853 1.00 0.00 C ATOM 806 CG GLN B 2 -12.551 -12.617 -10.068 1.00 0.00 C ATOM 807 CD GLN B 2 -11.733 -13.395 -11.081 1.00 0.00 C ATOM 808 OE1 GLN B 2 -11.610 -12.993 -12.237 1.00 0.00 O ATOM 809 NE2 GLN B 2 -11.169 -14.517 -10.650 1.00 0.00 N ATOM 0 H GLN B 2 -14.381 -10.595 -10.269 1.00 0.00 H new ATOM 0 HA GLN B 2 -12.870 -10.907 -7.891 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.013 -10.685 -10.809 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -10.996 -11.262 -9.504 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.548 -13.151 -9.118 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -13.587 -12.568 -10.403 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -11.297 -14.813 -9.682 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -10.607 -15.083 -11.286 1.00 0.00 H new ATOM 818 N ILE B 3 -11.407 -8.917 -7.581 1.00 0.00 N ATOM 819 CA ILE B 3 -10.708 -7.675 -7.266 1.00 0.00 C ATOM 820 C ILE B 3 -9.313 -7.968 -6.721 1.00 0.00 C ATOM 821 O ILE B 3 -9.139 -8.831 -5.859 1.00 0.00 O ATOM 822 CB ILE B 3 -11.486 -6.821 -6.243 1.00 0.00 C ATOM 823 CG1 ILE B 3 -11.725 -7.608 -4.951 1.00 0.00 C ATOM 824 CG2 ILE B 3 -12.806 -6.354 -6.841 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.415 -6.806 -3.870 1.00 0.00 C ATOM 0 H ILE B 3 -11.233 -9.675 -6.921 1.00 0.00 H new ATOM 0 HA ILE B 3 -10.628 -7.110 -8.195 1.00 0.00 H new ATOM 0 HB ILE B 3 -10.887 -5.944 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -12.326 -8.488 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -10.768 -7.965 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -13.345 -5.753 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -12.611 -5.754 -7.730 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -13.409 -7.220 -7.113 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -12.551 -7.429 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -11.805 -5.940 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -13.388 -6.471 -4.230 1.00 0.00 H new ATOM 837 N PHE B 4 -8.318 -7.254 -7.239 1.00 0.00 N ATOM 838 CA PHE B 4 -6.936 -7.447 -6.813 1.00 0.00 C ATOM 839 C PHE B 4 -6.622 -6.662 -5.544 1.00 0.00 C ATOM 840 O PHE B 4 -6.964 -5.485 -5.429 1.00 0.00 O ATOM 841 CB PHE B 4 -5.967 -7.039 -7.929 1.00 0.00 C ATOM 842 CG PHE B 4 -5.988 -7.954 -9.126 1.00 0.00 C ATOM 843 CD1 PHE B 4 -7.179 -8.291 -9.748 1.00 0.00 C ATOM 844 CD2 PHE B 4 -4.804 -8.472 -9.630 1.00 0.00 C ATOM 845 CE1 PHE B 4 -7.192 -9.129 -10.847 1.00 0.00 C ATOM 846 CE2 PHE B 4 -4.811 -9.309 -10.729 1.00 0.00 C ATOM 847 CZ PHE B 4 -6.007 -9.637 -11.338 1.00 0.00 C ATOM 0 H PHE B 4 -8.443 -6.537 -7.954 1.00 0.00 H new ATOM 0 HA PHE B 4 -6.809 -8.507 -6.595 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -6.209 -6.027 -8.254 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.955 -7.010 -7.525 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.109 -7.894 -9.369 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.866 -8.218 -9.158 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.128 -9.386 -11.321 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -3.883 -9.707 -11.112 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.014 -10.291 -12.198 1.00 0.00 H new ATOM 857 N VAL B 5 -5.953 -7.319 -4.602 1.00 0.00 N ATOM 858 CA VAL B 5 -5.571 -6.686 -3.345 1.00 0.00 C ATOM 859 C VAL B 5 -4.051 -6.618 -3.229 1.00 0.00 C ATOM 860 O VAL B 5 -3.419 -7.506 -2.652 1.00 0.00 O ATOM 861 CB VAL B 5 -6.145 -7.437 -2.128 1.00 0.00 C ATOM 862 CG1 VAL B 5 -5.771 -6.727 -0.835 1.00 0.00 C ATOM 863 CG2 VAL B 5 -7.654 -7.575 -2.253 1.00 0.00 C ATOM 0 H VAL B 5 -5.663 -8.293 -4.686 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.987 -5.678 -3.349 1.00 0.00 H new ATOM 0 HB VAL B 5 -5.712 -8.437 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.186 -7.273 0.013 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -4.686 -6.685 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.174 -5.714 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.044 -8.108 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.107 -6.585 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.895 -8.132 -3.159 1.00 0.00 H new ATOM 873 N LYS B 6 -3.476 -5.566 -3.802 1.00 0.00 N ATOM 874 CA LYS B 6 -2.030 -5.370 -3.788 1.00 0.00 C ATOM 875 C LYS B 6 -1.548 -4.898 -2.418 1.00 0.00 C ATOM 876 O LYS B 6 -2.148 -4.015 -1.809 1.00 0.00 O ATOM 877 CB LYS B 6 -1.634 -4.359 -4.865 1.00 0.00 C ATOM 878 CG LYS B 6 -0.138 -4.116 -4.965 1.00 0.00 C ATOM 879 CD LYS B 6 0.187 -3.138 -6.084 1.00 0.00 C ATOM 880 CE LYS B 6 1.682 -2.891 -6.191 1.00 0.00 C ATOM 881 NZ LYS B 6 2.008 -1.927 -7.278 1.00 0.00 N ATOM 0 H LYS B 6 -3.993 -4.831 -4.285 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.553 -6.327 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.000 -4.710 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.133 -3.412 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.234 -3.725 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.375 -5.061 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.187 -3.529 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.327 -2.194 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.056 -2.508 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.194 -3.835 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.037 -1.785 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.674 -2.304 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.540 -1.018 -7.087 1.00 0.00 H new ATOM 895 N THR B 7 -0.461 -5.492 -1.942 1.00 0.00 N ATOM 896 CA THR B 7 0.108 -5.136 -0.646 1.00 0.00 C ATOM 897 C THR B 7 1.377 -4.307 -0.819 1.00 0.00 C ATOM 898 O THR B 7 2.060 -4.413 -1.837 1.00 0.00 O ATOM 899 CB THR B 7 0.432 -6.386 0.191 1.00 0.00 C ATOM 900 OG1 THR B 7 1.395 -7.197 -0.492 1.00 0.00 O ATOM 901 CG2 THR B 7 -0.826 -7.198 0.458 1.00 0.00 C ATOM 0 H THR B 7 0.047 -6.226 -2.436 1.00 0.00 H new ATOM 0 HA THR B 7 -0.643 -4.546 -0.120 1.00 0.00 H new ATOM 0 HB THR B 7 0.845 -6.061 1.146 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.832 -7.796 0.149 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.573 -8.077 1.051 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.545 -6.587 1.004 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.263 -7.513 -0.489 1.00 0.00 H new ATOM 909 N LEU B 8 1.684 -3.479 0.179 1.00 0.00 N ATOM 910 CA LEU B 8 2.873 -2.632 0.132 1.00 0.00 C ATOM 911 C LEU B 8 4.110 -3.447 -0.233 1.00 0.00 C ATOM 912 O LEU B 8 4.946 -3.006 -1.021 1.00 0.00 O ATOM 913 CB LEU B 8 3.094 -1.936 1.478 1.00 0.00 C ATOM 914 CG LEU B 8 1.970 -1.001 1.932 1.00 0.00 C ATOM 915 CD1 LEU B 8 2.312 -0.377 3.278 1.00 0.00 C ATOM 916 CD2 LEU B 8 1.716 0.082 0.894 1.00 0.00 C ATOM 0 H LEU B 8 1.127 -3.377 1.027 1.00 0.00 H new ATOM 0 HA LEU B 8 2.711 -1.877 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU B 8 3.238 -2.700 2.242 1.00 0.00 H new ATOM 0 HB3 LEU B 8 4.019 -1.362 1.422 1.00 0.00 H new ATOM 0 HG LEU B 8 1.059 -1.589 2.041 1.00 0.00 H new ATOM 0 HD11 LEU B 8 1.504 0.285 3.588 1.00 0.00 H new ATOM 0 HD12 LEU B 8 2.442 -1.164 4.021 1.00 0.00 H new ATOM 0 HD13 LEU B 8 3.236 0.195 3.190 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.913 0.735 1.238 1.00 0.00 H new ATOM 0 HD22 LEU B 8 2.624 0.668 0.750 1.00 0.00 H new ATOM 0 HD23 LEU B 8 1.429 -0.380 -0.051 1.00 0.00 H new ATOM 928 N THR B 9 4.222 -4.638 0.350 1.00 0.00 N ATOM 929 CA THR B 9 5.359 -5.512 0.088 1.00 0.00 C ATOM 930 C THR B 9 5.392 -5.956 -1.372 1.00 0.00 C ATOM 931 O THR B 9 6.346 -5.668 -2.095 1.00 0.00 O ATOM 932 CB THR B 9 5.326 -6.763 0.988 1.00 0.00 C ATOM 933 OG1 THR B 9 5.316 -6.374 2.366 1.00 0.00 O ATOM 934 CG2 THR B 9 6.527 -7.658 0.719 1.00 0.00 C ATOM 0 H THR B 9 3.540 -5.018 1.006 1.00 0.00 H new ATOM 0 HA THR B 9 6.256 -4.934 0.310 1.00 0.00 H new ATOM 0 HB THR B 9 4.418 -7.322 0.760 1.00 0.00 H new ATOM 0 HG1 THR B 9 5.293 -7.174 2.932 1.00 0.00 H new ATOM 0 HG21 THR B 9 6.480 -8.534 1.366 1.00 0.00 H new ATOM 0 HG22 THR B 9 6.517 -7.976 -0.323 1.00 0.00 H new ATOM 0 HG23 THR B 9 7.445 -7.106 0.921 1.00 0.00 H new ATOM 942 N GLY B 10 4.346 -6.658 -1.800 1.00 0.00 N ATOM 943 CA GLY B 10 4.282 -7.129 -3.171 1.00 0.00 C ATOM 944 C GLY B 10 3.398 -8.351 -3.325 1.00 0.00 C ATOM 945 O GLY B 10 3.858 -9.403 -3.768 1.00 0.00 O ATOM 0 H GLY B 10 3.543 -6.908 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY B 10 3.905 -6.330 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY B 10 5.288 -7.366 -3.517 1.00 0.00 H new ATOM 949 N LYS B 11 2.127 -8.219 -2.955 1.00 0.00 N ATOM 950 CA LYS B 11 1.187 -9.332 -3.051 1.00 0.00 C ATOM 951 C LYS B 11 -0.191 -8.852 -3.497 1.00 0.00 C ATOM 952 O LYS B 11 -0.796 -7.994 -2.859 1.00 0.00 O ATOM 953 CB LYS B 11 1.073 -10.036 -1.698 1.00 0.00 C ATOM 954 CG LYS B 11 0.123 -11.223 -1.704 1.00 0.00 C ATOM 955 CD LYS B 11 -0.059 -11.800 -0.309 1.00 0.00 C ATOM 956 CE LYS B 11 1.246 -12.333 0.257 1.00 0.00 C ATOM 957 NZ LYS B 11 1.811 -13.426 -0.580 1.00 0.00 N ATOM 0 H LYS B 11 1.726 -7.356 -2.587 1.00 0.00 H new ATOM 0 HA LYS B 11 1.565 -10.031 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.062 -10.375 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS B 11 0.737 -9.317 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -0.844 -10.914 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS B 11 0.508 -11.995 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -0.455 -11.030 0.354 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.796 -12.603 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.969 -11.520 0.329 1.00 0.00 H new ATOM 0 HE3 LYS B 11 1.079 -12.701 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.581 -13.897 -0.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 1.065 -14.118 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.182 -13.028 -1.466 1.00 0.00 H new ATOM 971 N THR B 12 -0.682 -9.419 -4.594 1.00 0.00 N ATOM 972 CA THR B 12 -1.990 -9.055 -5.127 1.00 0.00 C ATOM 973 C THR B 12 -3.013 -10.162 -4.882 1.00 0.00 C ATOM 974 O THR B 12 -3.362 -10.908 -5.796 1.00 0.00 O ATOM 975 CB THR B 12 -1.917 -8.761 -6.638 1.00 0.00 C ATOM 976 OG1 THR B 12 -1.419 -9.907 -7.338 1.00 0.00 O ATOM 977 CG2 THR B 12 -1.021 -7.563 -6.916 1.00 0.00 C ATOM 0 H THR B 12 -0.193 -10.134 -5.132 1.00 0.00 H new ATOM 0 HA THR B 12 -2.306 -8.153 -4.604 1.00 0.00 H new ATOM 0 HB THR B 12 -2.923 -8.531 -6.988 1.00 0.00 H new ATOM 0 HG1 THR B 12 -1.927 -10.701 -7.070 1.00 0.00 H new ATOM 0 HG21 THR B 12 -0.986 -7.376 -7.989 1.00 0.00 H new ATOM 0 HG22 THR B 12 -1.419 -6.685 -6.408 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.015 -7.769 -6.551 1.00 0.00 H new ATOM 985 N ILE B 13 -3.491 -10.265 -3.646 1.00 0.00 N ATOM 986 CA ILE B 13 -4.475 -11.287 -3.300 1.00 0.00 C ATOM 987 C ILE B 13 -5.825 -10.984 -3.948 1.00 0.00 C ATOM 988 O ILE B 13 -6.386 -9.907 -3.758 1.00 0.00 O ATOM 989 CB ILE B 13 -4.649 -11.408 -1.771 1.00 0.00 C ATOM 990 CG1 ILE B 13 -3.333 -11.830 -1.114 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.752 -12.401 -1.435 1.00 0.00 C ATOM 992 CD1 ILE B 13 -2.855 -13.194 -1.555 1.00 0.00 C ATOM 0 H ILE B 13 -3.217 -9.659 -2.873 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.101 -12.237 -3.682 1.00 0.00 H new ATOM 0 HB ILE B 13 -4.934 -10.431 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.566 -11.091 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.459 -11.829 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.860 -12.473 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.692 -12.063 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -5.496 -13.380 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -1.918 -13.431 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.604 -13.943 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -2.697 -13.193 -2.634 1.00 0.00 H new ATOM 1004 N THR B 14 -6.333 -11.937 -4.726 1.00 0.00 N ATOM 1005 CA THR B 14 -7.611 -11.765 -5.414 1.00 0.00 C ATOM 1006 C THR B 14 -8.786 -12.273 -4.580 1.00 0.00 C ATOM 1007 O THR B 14 -8.732 -13.363 -4.011 1.00 0.00 O ATOM 1008 CB THR B 14 -7.616 -12.492 -6.773 1.00 0.00 C ATOM 1009 OG1 THR B 14 -6.542 -12.012 -7.590 1.00 0.00 O ATOM 1010 CG2 THR B 14 -8.939 -12.280 -7.497 1.00 0.00 C ATOM 0 H THR B 14 -5.880 -12.835 -4.896 1.00 0.00 H new ATOM 0 HA THR B 14 -7.730 -10.693 -5.571 1.00 0.00 H new ATOM 0 HB THR B 14 -7.486 -13.558 -6.588 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.551 -12.480 -8.451 1.00 0.00 H new ATOM 0 HG21 THR B 14 -8.918 -12.803 -8.453 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.754 -12.671 -6.888 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.093 -11.215 -7.669 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.853 -11.477 -4.530 1.00 0.00 N ATOM 1019 CA LEU B 15 -11.057 -11.838 -3.788 1.00 0.00 C ATOM 1020 C LEU B 15 -12.299 -11.584 -4.633 1.00 0.00 C ATOM 1021 O LEU B 15 -12.348 -10.632 -5.414 1.00 0.00 O ATOM 1022 CB LEU B 15 -11.173 -11.052 -2.476 1.00 0.00 C ATOM 1023 CG LEU B 15 -10.190 -11.437 -1.362 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -10.279 -12.925 -1.053 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -8.768 -11.048 -1.732 1.00 0.00 C ATOM 0 H LEU B 15 -9.906 -10.572 -4.998 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.981 -12.899 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -11.040 -9.993 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -12.187 -11.172 -2.094 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.467 -10.885 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.573 -13.175 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -11.291 -13.169 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.037 -13.498 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.092 -11.332 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.477 -11.562 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.714 -9.971 -1.888 1.00 0.00 H new ATOM 1037 N GLU B 16 -13.300 -12.439 -4.467 1.00 0.00 N ATOM 1038 CA GLU B 16 -14.550 -12.309 -5.208 1.00 0.00 C ATOM 1039 C GLU B 16 -15.613 -11.622 -4.356 1.00 0.00 C ATOM 1040 O GLU B 16 -15.895 -12.051 -3.239 1.00 0.00 O ATOM 1041 CB GLU B 16 -15.046 -13.686 -5.658 1.00 0.00 C ATOM 1042 CG GLU B 16 -16.333 -13.636 -6.466 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.811 -15.014 -6.884 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -16.056 -15.714 -7.592 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -17.939 -15.392 -6.504 1.00 0.00 O ATOM 0 H GLU B 16 -13.271 -13.231 -3.825 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.363 -11.695 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -14.270 -14.165 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -15.203 -14.311 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -17.110 -13.149 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -16.177 -13.024 -7.355 1.00 0.00 H new ATOM 1052 N VAL B 17 -16.201 -10.556 -4.895 1.00 0.00 N ATOM 1053 CA VAL B 17 -17.237 -9.805 -4.189 1.00 0.00 C ATOM 1054 C VAL B 17 -18.184 -9.121 -5.172 1.00 0.00 C ATOM 1055 O VAL B 17 -17.757 -8.604 -6.204 1.00 0.00 O ATOM 1056 CB VAL B 17 -16.631 -8.731 -3.257 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -15.849 -9.370 -2.119 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -15.747 -7.778 -4.045 1.00 0.00 C ATOM 0 H VAL B 17 -15.977 -10.192 -5.821 1.00 0.00 H new ATOM 0 HA VAL B 17 -17.789 -10.527 -3.587 1.00 0.00 H new ATOM 0 HB VAL B 17 -17.452 -8.162 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -15.434 -8.591 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -16.513 -10.005 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -15.038 -9.973 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -15.329 -7.029 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -14.937 -8.337 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -16.340 -7.284 -4.815 1.00 0.00 H new ATOM 1068 N GLU B 18 -19.473 -9.124 -4.844 1.00 0.00 N ATOM 1069 CA GLU B 18 -20.483 -8.506 -5.697 1.00 0.00 C ATOM 1070 C GLU B 18 -20.296 -6.997 -5.774 1.00 0.00 C ATOM 1071 O GLU B 18 -19.904 -6.358 -4.797 1.00 0.00 O ATOM 1072 CB GLU B 18 -21.888 -8.824 -5.183 1.00 0.00 C ATOM 1073 CG GLU B 18 -22.346 -10.240 -5.489 1.00 0.00 C ATOM 1074 CD GLU B 18 -21.413 -11.295 -4.928 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -21.242 -11.338 -3.690 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -20.853 -12.078 -5.724 1.00 0.00 O ATOM 0 H GLU B 18 -19.843 -9.548 -3.993 1.00 0.00 H new ATOM 0 HA GLU B 18 -20.364 -8.920 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -21.914 -8.669 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -22.594 -8.120 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -23.345 -10.390 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -22.422 -10.367 -6.569 1.00 0.00 H new ATOM 1083 N SER B 19 -20.581 -6.433 -6.942 1.00 0.00 N ATOM 1084 CA SER B 19 -20.451 -4.998 -7.149 1.00 0.00 C ATOM 1085 C SER B 19 -21.310 -4.228 -6.152 1.00 0.00 C ATOM 1086 O SER B 19 -20.875 -3.222 -5.591 1.00 0.00 O ATOM 1087 CB SER B 19 -20.851 -4.629 -8.579 1.00 0.00 C ATOM 1088 OG SER B 19 -22.196 -4.990 -8.843 1.00 0.00 O ATOM 0 H SER B 19 -20.904 -6.949 -7.760 1.00 0.00 H new ATOM 0 HA SER B 19 -19.408 -4.725 -6.991 1.00 0.00 H new ATOM 0 HB2 SER B 19 -20.723 -3.557 -8.731 1.00 0.00 H new ATOM 0 HB3 SER B 19 -20.191 -5.132 -9.286 1.00 0.00 H new ATOM 0 HG SER B 19 -22.427 -4.742 -9.763 1.00 0.00 H new ATOM 1094 N SER B 20 -22.531 -4.711 -5.930 1.00 0.00 N ATOM 1095 CA SER B 20 -23.446 -4.065 -4.995 1.00 0.00 C ATOM 1096 C SER B 20 -23.342 -4.694 -3.608 1.00 0.00 C ATOM 1097 O SER B 20 -24.329 -4.777 -2.877 1.00 0.00 O ATOM 1098 CB SER B 20 -24.886 -4.158 -5.505 1.00 0.00 C ATOM 1099 OG SER B 20 -25.287 -5.509 -5.662 1.00 0.00 O ATOM 0 H SER B 20 -22.907 -5.544 -6.383 1.00 0.00 H new ATOM 0 HA SER B 20 -23.164 -3.015 -4.920 1.00 0.00 H new ATOM 0 HB2 SER B 20 -25.555 -3.656 -4.806 1.00 0.00 H new ATOM 0 HB3 SER B 20 -24.971 -3.637 -6.459 1.00 0.00 H new ATOM 0 HG SER B 20 -26.211 -5.540 -5.987 1.00 0.00 H new ATOM 1105 N ASP B 21 -22.139 -5.136 -3.252 1.00 0.00 N ATOM 1106 CA ASP B 21 -21.907 -5.756 -1.952 1.00 0.00 C ATOM 1107 C ASP B 21 -21.494 -4.697 -0.921 1.00 0.00 C ATOM 1108 O ASP B 21 -22.219 -3.726 -0.709 1.00 0.00 O ATOM 1109 CB ASP B 21 -20.846 -6.857 -2.081 1.00 0.00 C ATOM 1110 CG ASP B 21 -20.840 -7.807 -0.897 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -20.652 -7.340 0.244 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -21.025 -9.023 -1.114 1.00 0.00 O ATOM 0 H ASP B 21 -21.311 -5.076 -3.845 1.00 0.00 H new ATOM 0 HA ASP B 21 -22.832 -6.215 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -21.025 -7.423 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -19.862 -6.398 -2.178 1.00 0.00 H new ATOM 1117 N THR B 22 -20.337 -4.880 -0.283 1.00 0.00 N ATOM 1118 CA THR B 22 -19.857 -3.930 0.715 1.00 0.00 C ATOM 1119 C THR B 22 -18.387 -4.178 1.048 1.00 0.00 C ATOM 1120 O THR B 22 -17.940 -5.323 1.114 1.00 0.00 O ATOM 1121 CB THR B 22 -20.691 -4.001 2.010 1.00 0.00 C ATOM 1122 OG1 THR B 22 -20.198 -3.052 2.965 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.648 -5.398 2.613 1.00 0.00 C ATOM 0 H THR B 22 -19.718 -5.676 -0.441 1.00 0.00 H new ATOM 0 HA THR B 22 -19.964 -2.935 0.282 1.00 0.00 H new ATOM 0 HB THR B 22 -21.725 -3.763 1.758 1.00 0.00 H new ATOM 0 HG1 THR B 22 -20.734 -3.103 3.784 1.00 0.00 H new ATOM 0 HG21 THR B 22 -21.244 -5.419 3.525 1.00 0.00 H new ATOM 0 HG22 THR B 22 -21.052 -6.115 1.899 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.617 -5.661 2.848 1.00 0.00 H new ATOM 1131 N ILE B 23 -17.640 -3.093 1.248 1.00 0.00 N ATOM 1132 CA ILE B 23 -16.218 -3.180 1.568 1.00 0.00 C ATOM 1133 C ILE B 23 -15.970 -4.111 2.752 1.00 0.00 C ATOM 1134 O ILE B 23 -15.021 -4.899 2.746 1.00 0.00 O ATOM 1135 CB ILE B 23 -15.632 -1.790 1.894 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -15.817 -0.829 0.714 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -14.161 -1.902 2.267 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -15.140 -1.280 -0.564 1.00 0.00 C ATOM 0 H ILE B 23 -17.999 -2.140 1.193 1.00 0.00 H new ATOM 0 HA ILE B 23 -15.722 -3.583 0.685 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.174 -1.386 2.749 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -16.883 -0.706 0.524 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -15.428 0.150 0.993 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -13.767 -0.911 2.493 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -14.055 -2.543 3.142 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -13.606 -2.332 1.433 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -15.319 -0.546 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -14.068 -1.375 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -15.546 -2.244 -0.870 1.00 0.00 H new ATOM 1150 N ASP B 24 -16.826 -4.014 3.765 1.00 0.00 N ATOM 1151 CA ASP B 24 -16.700 -4.846 4.957 1.00 0.00 C ATOM 1152 C ASP B 24 -16.597 -6.320 4.577 1.00 0.00 C ATOM 1153 O ASP B 24 -15.786 -7.059 5.133 1.00 0.00 O ATOM 1154 CB ASP B 24 -17.894 -4.625 5.886 1.00 0.00 C ATOM 1155 CG ASP B 24 -17.786 -5.415 7.177 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -17.747 -6.661 7.112 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -17.742 -4.785 8.255 1.00 0.00 O ATOM 0 H ASP B 24 -17.615 -3.367 3.784 1.00 0.00 H new ATOM 0 HA ASP B 24 -15.788 -4.559 5.480 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -17.975 -3.564 6.120 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -18.810 -4.908 5.367 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.422 -6.738 3.622 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.418 -8.122 3.164 1.00 0.00 C ATOM 1164 C ASN B 25 -16.067 -8.488 2.560 1.00 0.00 C ATOM 1165 O ASN B 25 -15.547 -9.577 2.797 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.529 -8.346 2.138 1.00 0.00 C ATOM 1167 CG ASN B 25 -18.578 -9.778 1.644 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -18.760 -10.710 2.428 1.00 0.00 O ATOM 1169 ND2 ASN B 25 -18.414 -9.961 0.339 1.00 0.00 N ATOM 0 H ASN B 25 -18.100 -6.139 3.151 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.597 -8.766 4.025 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -19.489 -8.085 2.583 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -18.378 -7.677 1.291 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -18.436 -10.903 -0.051 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -18.266 -9.159 -0.274 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.504 -7.569 1.779 1.00 0.00 N ATOM 1177 CA VAL B 26 -14.211 -7.795 1.142 1.00 0.00 C ATOM 1178 C VAL B 26 -13.139 -8.098 2.183 1.00 0.00 C ATOM 1179 O VAL B 26 -12.412 -9.088 2.072 1.00 0.00 O ATOM 1180 CB VAL B 26 -13.772 -6.574 0.311 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.437 -6.836 -0.368 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -14.839 -6.214 -0.712 1.00 0.00 C ATOM 0 H VAL B 26 -15.923 -6.662 1.573 1.00 0.00 H new ATOM 0 HA VAL B 26 -14.327 -8.652 0.478 1.00 0.00 H new ATOM 0 HB VAL B 26 -13.646 -5.727 0.985 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -12.146 -5.961 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -11.678 -7.038 0.388 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -12.528 -7.697 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -14.512 -5.350 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -15.000 -7.058 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -15.770 -5.976 -0.198 1.00 0.00 H new ATOM 1192 N LYS B 27 -13.052 -7.247 3.202 1.00 0.00 N ATOM 1193 CA LYS B 27 -12.075 -7.438 4.266 1.00 0.00 C ATOM 1194 C LYS B 27 -12.323 -8.755 4.991 1.00 0.00 C ATOM 1195 O LYS B 27 -11.383 -9.437 5.396 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.114 -6.276 5.262 1.00 0.00 C ATOM 1197 CG LYS B 27 -11.625 -4.959 4.682 1.00 0.00 C ATOM 1198 CD LYS B 27 -11.523 -3.883 5.752 1.00 0.00 C ATOM 1199 CE LYS B 27 -10.951 -2.590 5.190 1.00 0.00 C ATOM 1200 NZ LYS B 27 -10.724 -1.574 6.255 1.00 0.00 N ATOM 0 H LYS B 27 -13.643 -6.423 3.312 1.00 0.00 H new ATOM 0 HA LYS B 27 -11.086 -7.468 3.810 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.136 -6.149 5.619 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.503 -6.531 6.128 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.650 -5.105 4.217 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.307 -4.630 3.898 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -12.510 -3.693 6.173 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -10.892 -4.237 6.567 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -10.010 -2.800 4.682 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -11.633 -2.186 4.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -9.813 -1.100 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -11.490 -0.870 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -10.711 -2.042 7.184 1.00 0.00 H new ATOM 1214 N SER B 28 -13.596 -9.106 5.147 1.00 0.00 N ATOM 1215 CA SER B 28 -13.969 -10.345 5.819 1.00 0.00 C ATOM 1216 C SER B 28 -13.367 -11.549 5.105 1.00 0.00 C ATOM 1217 O SER B 28 -12.778 -12.425 5.738 1.00 0.00 O ATOM 1218 CB SER B 28 -15.490 -10.483 5.877 1.00 0.00 C ATOM 1219 OG SER B 28 -16.078 -9.386 6.552 1.00 0.00 O ATOM 0 H SER B 28 -14.385 -8.550 4.817 1.00 0.00 H new ATOM 0 HA SER B 28 -13.577 -10.310 6.835 1.00 0.00 H new ATOM 0 HB2 SER B 28 -15.891 -10.548 4.865 1.00 0.00 H new ATOM 0 HB3 SER B 28 -15.755 -11.410 6.385 1.00 0.00 H new ATOM 0 HG SER B 28 -15.969 -8.574 6.014 1.00 0.00 H new ATOM 1225 N LYS B 29 -13.514 -11.586 3.784 1.00 0.00 N ATOM 1226 CA LYS B 29 -12.981 -12.684 2.985 1.00 0.00 C ATOM 1227 C LYS B 29 -11.462 -12.744 3.093 1.00 0.00 C ATOM 1228 O LYS B 29 -10.889 -13.818 3.276 1.00 0.00 O ATOM 1229 CB LYS B 29 -13.398 -12.535 1.522 1.00 0.00 C ATOM 1230 CG LYS B 29 -14.903 -12.553 1.313 1.00 0.00 C ATOM 1231 CD LYS B 29 -15.272 -12.490 -0.163 1.00 0.00 C ATOM 1232 CE LYS B 29 -14.937 -13.786 -0.892 1.00 0.00 C ATOM 1233 NZ LYS B 29 -13.470 -14.042 -0.957 1.00 0.00 N ATOM 0 H LYS B 29 -13.998 -10.868 3.244 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.393 -13.615 3.374 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.997 -11.600 1.132 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.949 -13.341 0.941 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.320 -13.459 1.753 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.352 -11.709 1.836 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.338 -12.284 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.742 -11.662 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.426 -14.619 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.340 -13.745 -1.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.251 -14.592 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.961 -13.136 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.173 -14.577 -0.116 1.00 0.00 H new ATOM 1247 N ILE B 30 -10.815 -11.587 2.987 1.00 0.00 N ATOM 1248 CA ILE B 30 -9.360 -11.518 3.084 1.00 0.00 C ATOM 1249 C ILE B 30 -8.888 -12.062 4.428 1.00 0.00 C ATOM 1250 O ILE B 30 -7.895 -12.788 4.503 1.00 0.00 O ATOM 1251 CB ILE B 30 -8.849 -10.073 2.915 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -9.289 -9.509 1.562 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -7.331 -10.026 3.049 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -8.905 -8.059 1.354 1.00 0.00 C ATOM 0 H ILE B 30 -11.272 -10.688 2.835 1.00 0.00 H new ATOM 0 HA ILE B 30 -8.953 -12.128 2.277 1.00 0.00 H new ATOM 0 HB ILE B 30 -9.281 -9.456 3.703 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.848 -10.110 0.767 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -10.371 -9.606 1.472 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -6.987 -8.999 2.927 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -7.041 -10.391 4.034 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -6.878 -10.654 2.282 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -9.249 -7.728 0.374 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.368 -7.446 2.127 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.821 -7.958 1.411 1.00 0.00 H new ATOM 1266 N GLN B 31 -9.611 -11.708 5.487 1.00 0.00 N ATOM 1267 CA GLN B 31 -9.279 -12.158 6.833 1.00 0.00 C ATOM 1268 C GLN B 31 -9.372 -13.676 6.933 1.00 0.00 C ATOM 1269 O GLN B 31 -8.470 -14.331 7.443 1.00 0.00 O ATOM 1270 CB GLN B 31 -10.215 -11.509 7.854 1.00 0.00 C ATOM 1271 CG GLN B 31 -9.985 -11.987 9.279 1.00 0.00 C ATOM 1272 CD GLN B 31 -10.907 -11.325 10.289 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -11.807 -10.470 9.813 1.00 0.00 O flip ATOM 1274 NE2 GLN B 31 -10.813 -11.582 11.490 1.00 0.00 N flip ATOM 0 H GLN B 31 -10.434 -11.108 5.437 1.00 0.00 H new ATOM 0 HA GLN B 31 -8.254 -11.859 7.050 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -10.086 -10.427 7.817 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -11.247 -11.717 7.572 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -10.127 -13.067 9.320 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -8.950 -11.791 9.559 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -10.109 -12.244 11.816 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -11.439 -11.133 12.158 1.00 0.00 H new ATOM 1283 N ASP B 32 -10.471 -14.226 6.444 1.00 0.00 N ATOM 1284 CA ASP B 32 -10.687 -15.664 6.474 1.00 0.00 C ATOM 1285 C ASP B 32 -9.618 -16.405 5.674 1.00 0.00 C ATOM 1286 O ASP B 32 -9.174 -17.485 6.066 1.00 0.00 O ATOM 1287 CB ASP B 32 -12.076 -15.991 5.929 1.00 0.00 C ATOM 1288 CG ASP B 32 -13.180 -15.624 6.901 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -13.270 -14.437 7.277 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -13.954 -16.524 7.288 1.00 0.00 O ATOM 0 H ASP B 32 -11.232 -13.695 6.019 1.00 0.00 H new ATOM 0 HA ASP B 32 -10.617 -15.997 7.510 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -12.230 -15.458 4.991 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -12.133 -17.056 5.704 1.00 0.00 H new ATOM 1295 N LYS B 33 -9.218 -15.828 4.545 1.00 0.00 N ATOM 1296 CA LYS B 33 -8.213 -16.442 3.680 1.00 0.00 C ATOM 1297 C LYS B 33 -6.815 -16.408 4.300 1.00 0.00 C ATOM 1298 O LYS B 33 -6.280 -17.441 4.703 1.00 0.00 O ATOM 1299 CB LYS B 33 -8.192 -15.740 2.318 1.00 0.00 C ATOM 1300 CG LYS B 33 -7.091 -16.242 1.393 1.00 0.00 C ATOM 1301 CD LYS B 33 -7.121 -15.542 0.041 1.00 0.00 C ATOM 1302 CE LYS B 33 -8.377 -15.886 -0.744 1.00 0.00 C ATOM 1303 NZ LYS B 33 -8.390 -15.235 -2.082 1.00 0.00 N ATOM 0 H LYS B 33 -9.575 -14.934 4.206 1.00 0.00 H new ATOM 0 HA LYS B 33 -8.492 -17.488 3.554 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.157 -15.880 1.831 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.066 -14.668 2.472 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -6.121 -16.082 1.863 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -7.201 -17.317 1.248 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.068 -14.463 0.189 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -6.242 -15.828 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.445 -16.967 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.255 -15.573 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -9.333 -15.338 -2.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.165 -14.225 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -7.681 -15.687 -2.695 1.00 0.00 H new ATOM 1317 N GLU B 34 -6.218 -15.220 4.345 1.00 0.00 N ATOM 1318 CA GLU B 34 -4.867 -15.053 4.883 1.00 0.00 C ATOM 1319 C GLU B 34 -4.830 -15.147 6.407 1.00 0.00 C ATOM 1320 O GLU B 34 -3.897 -15.714 6.978 1.00 0.00 O ATOM 1321 CB GLU B 34 -4.284 -13.712 4.431 1.00 0.00 C ATOM 1322 CG GLU B 34 -4.141 -13.588 2.922 1.00 0.00 C ATOM 1323 CD GLU B 34 -3.161 -14.589 2.336 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -2.528 -15.332 3.116 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -3.023 -14.625 1.096 1.00 0.00 O ATOM 0 H GLU B 34 -6.648 -14.356 4.015 1.00 0.00 H new ATOM 0 HA GLU B 34 -4.262 -15.871 4.492 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.922 -12.907 4.794 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -3.306 -13.576 4.893 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -5.117 -13.728 2.457 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.812 -12.578 2.675 1.00 0.00 H new ATOM 1332 N GLY B 35 -5.833 -14.577 7.063 1.00 0.00 N ATOM 1333 CA GLY B 35 -5.878 -14.598 8.514 1.00 0.00 C ATOM 1334 C GLY B 35 -5.157 -13.414 9.126 1.00 0.00 C ATOM 1335 O GLY B 35 -4.554 -13.526 10.193 1.00 0.00 O ATOM 0 H GLY B 35 -6.617 -14.100 6.617 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -6.917 -14.599 8.844 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -5.428 -15.522 8.876 1.00 0.00 H new ATOM 1339 N ILE B 36 -5.228 -12.272 8.446 1.00 0.00 N ATOM 1340 CA ILE B 36 -4.586 -11.051 8.921 1.00 0.00 C ATOM 1341 C ILE B 36 -5.547 -10.222 9.772 1.00 0.00 C ATOM 1342 O ILE B 36 -6.695 -10.006 9.384 1.00 0.00 O ATOM 1343 CB ILE B 36 -4.085 -10.192 7.741 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -3.105 -10.993 6.881 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -3.432 -8.913 8.249 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -2.628 -10.250 5.651 1.00 0.00 C ATOM 0 H ILE B 36 -5.726 -12.168 7.562 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.734 -11.351 9.531 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.941 -9.916 7.125 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.242 -11.266 7.488 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -3.583 -11.922 6.571 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.085 -8.321 7.402 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.158 -8.337 8.822 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.585 -9.165 8.887 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.937 -10.880 5.091 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -3.483 -10.001 5.022 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -2.121 -9.334 5.953 1.00 0.00 H new ATOM 1358 N PRO B 37 -5.093 -9.743 10.946 1.00 0.00 N ATOM 1359 CA PRO B 37 -5.930 -8.934 11.838 1.00 0.00 C ATOM 1360 C PRO B 37 -6.513 -7.715 11.127 1.00 0.00 C ATOM 1361 O PRO B 37 -5.800 -7.004 10.418 1.00 0.00 O ATOM 1362 CB PRO B 37 -4.962 -8.493 12.942 1.00 0.00 C ATOM 1363 CG PRO B 37 -3.874 -9.510 12.925 1.00 0.00 C ATOM 1364 CD PRO B 37 -3.740 -9.950 11.494 1.00 0.00 C ATOM 0 HA PRO B 37 -6.789 -9.494 12.208 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -4.572 -7.494 12.750 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -5.457 -8.460 13.912 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -2.939 -9.087 13.292 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.118 -10.353 13.571 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -2.995 -9.360 10.960 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -3.432 -10.993 11.421 1.00 0.00 H new ATOM 1372 N PRO B 38 -7.822 -7.454 11.306 1.00 0.00 N ATOM 1373 CA PRO B 38 -8.494 -6.312 10.674 1.00 0.00 C ATOM 1374 C PRO B 38 -7.861 -4.979 11.058 1.00 0.00 C ATOM 1375 O PRO B 38 -7.728 -4.081 10.225 1.00 0.00 O ATOM 1376 CB PRO B 38 -9.933 -6.392 11.202 1.00 0.00 C ATOM 1377 CG PRO B 38 -9.864 -7.278 12.401 1.00 0.00 C ATOM 1378 CD PRO B 38 -8.748 -8.244 12.134 1.00 0.00 C ATOM 0 HA PRO B 38 -8.426 -6.359 9.587 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.311 -5.404 11.464 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.606 -6.801 10.449 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.672 -6.699 13.304 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.807 -7.803 12.554 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -8.277 -8.582 13.057 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.100 -9.133 11.611 1.00 0.00 H new ATOM 1386 N ASP B 39 -7.477 -4.853 12.323 1.00 0.00 N ATOM 1387 CA ASP B 39 -6.862 -3.627 12.817 1.00 0.00 C ATOM 1388 C ASP B 39 -5.480 -3.417 12.199 1.00 0.00 C ATOM 1389 O ASP B 39 -5.126 -2.302 11.814 1.00 0.00 O ATOM 1390 CB ASP B 39 -6.753 -3.668 14.343 1.00 0.00 C ATOM 1391 CG ASP B 39 -6.208 -2.378 14.924 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -5.051 -2.024 14.611 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -6.938 -1.719 15.693 1.00 0.00 O ATOM 0 H ASP B 39 -7.581 -5.585 13.025 1.00 0.00 H new ATOM 0 HA ASP B 39 -7.497 -2.790 12.526 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.737 -3.867 14.768 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -6.106 -4.495 14.635 1.00 0.00 H new ATOM 1398 N GLN B 40 -4.700 -4.493 12.114 1.00 0.00 N ATOM 1399 CA GLN B 40 -3.353 -4.422 11.553 1.00 0.00 C ATOM 1400 C GLN B 40 -3.378 -4.390 10.026 1.00 0.00 C ATOM 1401 O GLN B 40 -2.480 -4.922 9.371 1.00 0.00 O ATOM 1402 CB GLN B 40 -2.516 -5.607 12.036 1.00 0.00 C ATOM 1403 CG GLN B 40 -2.307 -5.631 13.540 1.00 0.00 C ATOM 1404 CD GLN B 40 -1.447 -6.796 13.990 1.00 0.00 C ATOM 1405 OE1 GLN B 40 -2.004 -7.649 14.841 1.00 0.00 O flip ATOM 1406 NE2 GLN B 40 -0.295 -6.927 13.577 1.00 0.00 N flip ATOM 0 H GLN B 40 -4.978 -5.423 12.426 1.00 0.00 H new ATOM 0 HA GLN B 40 -2.900 -3.493 11.900 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -3.003 -6.533 11.730 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -1.544 -5.580 11.543 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -1.840 -4.697 13.853 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -3.276 -5.686 14.037 1.00 0.00 H new ATOM 0 HE21 GLN B 40 0.093 -6.247 12.923 1.00 0.00 H new ATOM 0 HE22 GLN B 40 0.272 -7.716 13.889 1.00 0.00 H new ATOM 1415 N GLN B 41 -4.398 -3.751 9.465 1.00 0.00 N ATOM 1416 CA GLN B 41 -4.531 -3.638 8.016 1.00 0.00 C ATOM 1417 C GLN B 41 -5.510 -2.527 7.652 1.00 0.00 C ATOM 1418 O GLN B 41 -6.565 -2.389 8.274 1.00 0.00 O ATOM 1419 CB GLN B 41 -4.995 -4.967 7.412 1.00 0.00 C ATOM 1420 CG GLN B 41 -6.376 -5.406 7.870 1.00 0.00 C ATOM 1421 CD GLN B 41 -6.831 -6.708 7.231 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -7.918 -7.206 7.525 1.00 0.00 O ATOM 1423 NE2 GLN B 41 -6.007 -7.267 6.348 1.00 0.00 N ATOM 0 H GLN B 41 -5.147 -3.302 9.992 1.00 0.00 H new ATOM 0 HA GLN B 41 -3.553 -3.390 7.604 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -4.994 -4.880 6.325 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -4.274 -5.743 7.670 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -6.373 -5.522 8.954 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -7.096 -4.622 7.635 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -5.115 -6.823 6.131 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -6.268 -8.139 5.888 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.149 -1.731 6.651 1.00 0.00 N ATOM 1433 CA ARG B 42 -5.990 -0.620 6.213 1.00 0.00 C ATOM 1434 C ARG B 42 -6.179 -0.642 4.698 1.00 0.00 C ATOM 1435 O ARG B 42 -5.207 -0.620 3.944 1.00 0.00 O ATOM 1436 CB ARG B 42 -5.348 0.704 6.633 1.00 0.00 C ATOM 1437 CG ARG B 42 -5.058 0.805 8.124 1.00 0.00 C ATOM 1438 CD ARG B 42 -6.298 1.181 8.922 1.00 0.00 C ATOM 1439 NE ARG B 42 -7.383 0.217 8.759 1.00 0.00 N ATOM 1440 CZ ARG B 42 -8.563 0.326 9.361 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -8.802 1.339 10.182 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -9.502 -0.586 9.148 1.00 0.00 N ATOM 0 H ARG B 42 -4.280 -1.834 6.127 1.00 0.00 H new ATOM 0 HA ARG B 42 -6.969 -0.721 6.682 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -4.417 0.835 6.082 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -6.007 1.523 6.345 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -4.671 -0.148 8.483 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.279 1.549 8.292 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -6.038 1.255 9.978 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -6.642 2.167 8.609 1.00 0.00 H new ATOM 0 HE ARG B 42 -7.226 -0.585 8.149 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -8.079 2.038 10.353 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -9.709 1.419 10.642 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -9.318 -1.371 8.523 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -10.408 -0.503 9.610 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.435 -0.680 4.259 1.00 0.00 N ATOM 1457 CA LEU B 43 -7.740 -0.696 2.832 1.00 0.00 C ATOM 1458 C LEU B 43 -7.630 0.704 2.240 1.00 0.00 C ATOM 1459 O LEU B 43 -8.217 1.653 2.760 1.00 0.00 O ATOM 1460 CB LEU B 43 -9.142 -1.254 2.585 1.00 0.00 C ATOM 1461 CG LEU B 43 -9.548 -1.353 1.113 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -8.650 -2.333 0.374 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -11.005 -1.765 0.990 1.00 0.00 C ATOM 0 H LEU B 43 -8.253 -0.700 4.868 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.012 -1.343 2.342 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.206 -2.246 3.032 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.864 -0.624 3.104 1.00 0.00 H new ATOM 0 HG LEU B 43 -9.429 -0.370 0.657 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -8.955 -2.389 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -7.616 -1.994 0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -8.735 -3.319 0.830 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -11.277 -1.831 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -11.150 -2.736 1.463 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -11.635 -1.024 1.482 1.00 0.00 H new ATOM 1475 N ILE B 44 -6.883 0.824 1.150 1.00 0.00 N ATOM 1476 CA ILE B 44 -6.699 2.111 0.490 1.00 0.00 C ATOM 1477 C ILE B 44 -6.933 2.002 -1.013 1.00 0.00 C ATOM 1478 O ILE B 44 -6.482 1.055 -1.663 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.288 2.674 0.758 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.136 3.012 2.244 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.026 3.904 -0.101 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -3.727 3.391 2.637 1.00 0.00 C ATOM 0 H ILE B 44 -6.395 0.047 0.704 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.437 2.796 0.907 1.00 0.00 H new ATOM 0 HB ILE B 44 -4.552 1.915 0.492 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -5.807 3.835 2.491 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.451 2.154 2.837 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.025 4.285 0.104 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.103 3.635 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -5.762 4.674 0.132 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.695 3.617 3.703 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.054 2.561 2.422 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.415 4.268 2.070 1.00 0.00 H new ATOM 1494 N PHE B 45 -7.653 2.981 -1.552 1.00 0.00 N ATOM 1495 CA PHE B 45 -7.971 3.016 -2.974 1.00 0.00 C ATOM 1496 C PHE B 45 -8.299 4.441 -3.405 1.00 0.00 C ATOM 1497 O PHE B 45 -8.757 5.246 -2.592 1.00 0.00 O ATOM 1498 CB PHE B 45 -9.151 2.087 -3.277 1.00 0.00 C ATOM 1499 CG PHE B 45 -9.504 1.995 -4.736 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -8.524 1.766 -5.691 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -10.817 2.137 -5.151 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -8.851 1.680 -7.032 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -11.149 2.053 -6.490 1.00 0.00 C ATOM 1504 CZ PHE B 45 -10.165 1.824 -7.431 1.00 0.00 C ATOM 0 H PHE B 45 -8.029 3.766 -1.020 1.00 0.00 H new ATOM 0 HA PHE B 45 -7.102 2.671 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -8.917 1.089 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.024 2.435 -2.725 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -7.495 1.654 -5.384 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -11.591 2.316 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -8.080 1.500 -7.766 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -12.177 2.166 -6.800 1.00 0.00 H new ATOM 0 HZ PHE B 45 -10.423 1.758 -8.478 1.00 0.00 H new ATOM 1514 N ALA B 46 -8.044 4.742 -4.680 1.00 0.00 N ATOM 1515 CA ALA B 46 -8.290 6.073 -5.238 1.00 0.00 C ATOM 1516 C ALA B 46 -7.322 7.092 -4.649 1.00 0.00 C ATOM 1517 O ALA B 46 -6.470 7.634 -5.352 1.00 0.00 O ATOM 1518 CB ALA B 46 -9.731 6.498 -4.992 1.00 0.00 C ATOM 0 H ALA B 46 -7.664 4.075 -5.351 1.00 0.00 H new ATOM 0 HA ALA B 46 -8.124 6.028 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -9.895 7.490 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -10.406 5.786 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.925 6.523 -3.920 1.00 0.00 H new ATOM 1524 N GLY B 47 -7.452 7.336 -3.351 1.00 0.00 N ATOM 1525 CA GLY B 47 -6.578 8.272 -2.676 1.00 0.00 C ATOM 1526 C GLY B 47 -6.885 8.382 -1.197 1.00 0.00 C ATOM 1527 O GLY B 47 -6.566 9.392 -0.569 1.00 0.00 O ATOM 0 H GLY B 47 -8.152 6.899 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -5.542 7.958 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -6.675 9.254 -3.139 1.00 0.00 H new ATOM 1531 N LYS B 48 -7.500 7.340 -0.635 1.00 0.00 N ATOM 1532 CA LYS B 48 -7.840 7.337 0.785 1.00 0.00 C ATOM 1533 C LYS B 48 -8.385 5.978 1.220 1.00 0.00 C ATOM 1534 O LYS B 48 -8.766 5.152 0.386 1.00 0.00 O ATOM 1535 CB LYS B 48 -8.845 8.453 1.094 1.00 0.00 C ATOM 1536 CG LYS B 48 -10.160 8.334 0.342 1.00 0.00 C ATOM 1537 CD LYS B 48 -11.101 7.350 1.015 1.00 0.00 C ATOM 1538 CE LYS B 48 -12.414 7.229 0.261 1.00 0.00 C ATOM 1539 NZ LYS B 48 -13.102 8.543 0.130 1.00 0.00 N ATOM 0 H LYS B 48 -7.770 6.495 -1.138 1.00 0.00 H new ATOM 0 HA LYS B 48 -6.929 7.524 1.353 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.051 8.455 2.164 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.389 9.414 0.855 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.637 9.313 0.284 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.967 8.012 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.624 6.372 1.075 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.296 7.673 2.038 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.227 6.817 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.067 6.527 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -14.081 8.392 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.107 9.025 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.599 9.130 -0.565 1.00 0.00 H new ATOM 1553 N GLN B 49 -8.417 5.754 2.531 1.00 0.00 N ATOM 1554 CA GLN B 49 -8.915 4.498 3.087 1.00 0.00 C ATOM 1555 C GLN B 49 -10.403 4.320 2.790 1.00 0.00 C ATOM 1556 O GLN B 49 -11.209 5.211 3.058 1.00 0.00 O ATOM 1557 CB GLN B 49 -8.676 4.461 4.598 1.00 0.00 C ATOM 1558 CG GLN B 49 -9.172 3.191 5.269 1.00 0.00 C ATOM 1559 CD GLN B 49 -8.918 3.189 6.763 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -7.775 3.278 7.209 1.00 0.00 O ATOM 1561 NE2 GLN B 49 -9.986 3.087 7.545 1.00 0.00 N ATOM 0 H GLN B 49 -8.103 6.427 3.230 1.00 0.00 H new ATOM 0 HA GLN B 49 -8.371 3.679 2.617 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -7.608 4.568 4.790 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.170 5.318 5.055 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.241 3.080 5.085 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.680 2.329 4.818 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -10.916 3.015 7.132 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -9.877 3.080 8.559 1.00 0.00 H new ATOM 1570 N LEU B 50 -10.761 3.165 2.237 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.156 2.880 1.904 1.00 0.00 C ATOM 1572 C LEU B 50 -12.962 2.521 3.153 1.00 0.00 C ATOM 1573 O LEU B 50 -12.509 1.746 3.995 1.00 0.00 O ATOM 1574 CB LEU B 50 -12.244 1.745 0.880 1.00 0.00 C ATOM 1575 CG LEU B 50 -11.485 1.988 -0.429 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -11.685 0.823 -1.385 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -11.932 3.291 -1.077 1.00 0.00 C ATOM 0 H LEU B 50 -10.109 2.414 2.010 1.00 0.00 H new ATOM 0 HA LEU B 50 -12.583 3.784 1.469 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -11.863 0.833 1.339 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -13.294 1.569 0.646 1.00 0.00 H new ATOM 0 HG LEU B 50 -10.423 2.068 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -11.139 1.013 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -11.313 -0.093 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -12.746 0.713 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -11.381 3.444 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -12.999 3.243 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -11.737 4.121 -0.398 1.00 0.00 H new ATOM 1589 N GLU B 51 -14.159 3.091 3.258 1.00 0.00 N ATOM 1590 CA GLU B 51 -15.039 2.838 4.397 1.00 0.00 C ATOM 1591 C GLU B 51 -15.473 1.376 4.442 1.00 0.00 C ATOM 1592 O GLU B 51 -15.783 0.780 3.411 1.00 0.00 O ATOM 1593 CB GLU B 51 -16.272 3.741 4.327 1.00 0.00 C ATOM 1594 CG GLU B 51 -15.941 5.225 4.330 1.00 0.00 C ATOM 1595 CD GLU B 51 -17.177 6.099 4.223 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -18.293 5.545 4.142 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -17.027 7.339 4.218 1.00 0.00 O ATOM 0 H GLU B 51 -14.544 3.734 2.566 1.00 0.00 H new ATOM 0 HA GLU B 51 -14.481 3.061 5.306 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -16.834 3.505 3.424 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -16.922 3.521 5.174 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -15.404 5.472 5.246 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -15.271 5.446 3.499 1.00 0.00 H new ATOM 1604 N ASP B 52 -15.492 0.803 5.644 1.00 0.00 N ATOM 1605 CA ASP B 52 -15.888 -0.592 5.829 1.00 0.00 C ATOM 1606 C ASP B 52 -17.408 -0.746 5.817 1.00 0.00 C ATOM 1607 O ASP B 52 -17.984 -1.360 6.717 1.00 0.00 O ATOM 1608 CB ASP B 52 -15.319 -1.134 7.143 1.00 0.00 C ATOM 1609 CG ASP B 52 -13.804 -1.071 7.188 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -13.200 -0.593 6.204 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -13.224 -1.500 8.207 1.00 0.00 O ATOM 0 H ASP B 52 -15.237 1.285 6.506 1.00 0.00 H new ATOM 0 HA ASP B 52 -15.483 -1.167 4.996 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -15.728 -0.562 7.976 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -15.641 -2.167 7.276 1.00 0.00 H new ATOM 1616 N GLY B 53 -18.052 -0.186 4.799 1.00 0.00 N ATOM 1617 CA GLY B 53 -19.498 -0.274 4.697 1.00 0.00 C ATOM 1618 C GLY B 53 -20.043 0.483 3.503 1.00 0.00 C ATOM 1619 O GLY B 53 -20.957 1.295 3.642 1.00 0.00 O ATOM 0 H GLY B 53 -17.599 0.327 4.043 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -19.791 -1.321 4.623 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -19.948 0.119 5.609 1.00 0.00 H new ATOM 1623 N ARG B 54 -19.475 0.223 2.327 1.00 0.00 N ATOM 1624 CA ARG B 54 -19.903 0.894 1.103 1.00 0.00 C ATOM 1625 C ARG B 54 -19.751 -0.023 -0.112 1.00 0.00 C ATOM 1626 O ARG B 54 -18.754 -0.732 -0.249 1.00 0.00 O ATOM 1627 CB ARG B 54 -19.090 2.173 0.894 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.349 3.250 1.937 1.00 0.00 C ATOM 1629 CD ARG B 54 -20.777 3.767 1.870 1.00 0.00 C ATOM 1630 NE ARG B 54 -21.024 4.822 2.850 1.00 0.00 N ATOM 1631 CZ ARG B 54 -22.187 5.454 2.977 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -23.208 5.137 2.191 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -22.330 6.404 3.891 1.00 0.00 N ATOM 0 H ARG B 54 -18.717 -0.448 2.197 1.00 0.00 H new ATOM 0 HA ARG B 54 -20.958 1.149 1.209 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -18.029 1.922 0.902 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -19.315 2.577 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.154 2.848 2.931 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -18.655 4.077 1.786 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -20.978 4.148 0.869 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -21.469 2.943 2.042 1.00 0.00 H new ATOM 0 HE ARG B 54 -20.261 5.089 3.472 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -23.102 4.407 1.487 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -24.099 5.624 2.291 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -21.548 6.650 4.497 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -23.222 6.888 3.988 1.00 0.00 H new ATOM 1647 N THR B 55 -20.753 -0.002 -0.987 1.00 0.00 N ATOM 1648 CA THR B 55 -20.750 -0.829 -2.192 1.00 0.00 C ATOM 1649 C THR B 55 -19.607 -0.457 -3.134 1.00 0.00 C ATOM 1650 O THR B 55 -19.161 0.690 -3.166 1.00 0.00 O ATOM 1651 CB THR B 55 -22.080 -0.707 -2.959 1.00 0.00 C ATOM 1652 OG1 THR B 55 -22.295 0.651 -3.358 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.245 -1.181 -2.103 1.00 0.00 C ATOM 0 H THR B 55 -21.583 0.582 -0.883 1.00 0.00 H new ATOM 0 HA THR B 55 -20.614 -1.857 -1.856 1.00 0.00 H new ATOM 0 HB THR B 55 -22.021 -1.339 -3.845 1.00 0.00 H new ATOM 0 HG1 THR B 55 -22.330 0.703 -4.336 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.173 -1.085 -2.666 1.00 0.00 H new ATOM 0 HG22 THR B 55 -23.094 -2.225 -1.828 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.304 -0.573 -1.200 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.145 -1.439 -3.905 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.058 -1.229 -4.860 1.00 0.00 C ATOM 1663 C LEU B 56 -18.415 -0.134 -5.864 1.00 0.00 C ATOM 1664 O LEU B 56 -17.597 0.736 -6.167 1.00 0.00 O ATOM 1665 CB LEU B 56 -17.757 -2.530 -5.610 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.202 -3.668 -4.752 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -17.183 -4.968 -5.541 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -15.802 -3.330 -4.263 1.00 0.00 C ATOM 0 H LEU B 56 -19.508 -2.392 -3.887 1.00 0.00 H new ATOM 0 HA LEU B 56 -17.175 -0.916 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -18.673 -2.873 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.042 -2.315 -6.404 1.00 0.00 H new ATOM 0 HG LEU B 56 -17.853 -3.795 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -16.785 -5.767 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -18.197 -5.220 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -16.553 -4.849 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.421 -4.150 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.144 -3.178 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -15.835 -2.419 -3.665 1.00 0.00 H new ATOM 1680 N SER B 57 -19.639 -0.194 -6.378 1.00 0.00 N ATOM 1681 CA SER B 57 -20.121 0.777 -7.358 1.00 0.00 C ATOM 1682 C SER B 57 -20.047 2.204 -6.822 1.00 0.00 C ATOM 1683 O SER B 57 -19.901 3.154 -7.592 1.00 0.00 O ATOM 1684 CB SER B 57 -21.559 0.447 -7.760 1.00 0.00 C ATOM 1685 OG SER B 57 -22.417 0.450 -6.634 1.00 0.00 O ATOM 0 H SER B 57 -20.321 -0.911 -6.131 1.00 0.00 H new ATOM 0 HA SER B 57 -19.473 0.714 -8.232 1.00 0.00 H new ATOM 0 HB2 SER B 57 -21.911 1.174 -8.491 1.00 0.00 H new ATOM 0 HB3 SER B 57 -21.590 -0.530 -8.242 1.00 0.00 H new ATOM 0 HG SER B 57 -23.331 0.238 -6.918 1.00 0.00 H new ATOM 1691 N ASP B 58 -20.163 2.353 -5.505 1.00 0.00 N ATOM 1692 CA ASP B 58 -20.121 3.674 -4.879 1.00 0.00 C ATOM 1693 C ASP B 58 -18.862 4.436 -5.286 1.00 0.00 C ATOM 1694 O ASP B 58 -18.943 5.565 -5.771 1.00 0.00 O ATOM 1695 CB ASP B 58 -20.182 3.540 -3.355 1.00 0.00 C ATOM 1696 CG ASP B 58 -20.263 4.883 -2.651 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -20.312 5.921 -3.346 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -20.283 4.897 -1.401 1.00 0.00 O ATOM 0 H ASP B 58 -20.286 1.579 -4.852 1.00 0.00 H new ATOM 0 HA ASP B 58 -20.988 4.238 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -21.049 2.938 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -19.299 3.004 -3.006 1.00 0.00 H new ATOM 1703 N TYR B 59 -17.698 3.815 -5.096 1.00 0.00 N ATOM 1704 CA TYR B 59 -16.432 4.447 -5.456 1.00 0.00 C ATOM 1705 C TYR B 59 -16.126 4.245 -6.935 1.00 0.00 C ATOM 1706 O TYR B 59 -14.981 4.398 -7.365 1.00 0.00 O ATOM 1707 CB TYR B 59 -15.278 3.876 -4.624 1.00 0.00 C ATOM 1708 CG TYR B 59 -15.470 3.996 -3.129 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -16.345 3.159 -2.452 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -14.759 4.936 -2.392 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -16.514 3.258 -1.086 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -14.923 5.040 -1.024 1.00 0.00 C ATOM 1713 CZ TYR B 59 -15.800 4.200 -0.376 1.00 0.00 C ATOM 1714 OH TYR B 59 -15.966 4.300 0.986 1.00 0.00 O ATOM 0 H TYR B 59 -17.607 2.881 -4.697 1.00 0.00 H new ATOM 0 HA TYR B 59 -16.530 5.513 -5.250 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -15.148 2.824 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -14.357 4.388 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -16.904 2.417 -3.003 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -14.068 5.595 -2.896 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -17.202 2.601 -0.575 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -14.365 5.777 -0.466 1.00 0.00 H new ATOM 0 HH TYR B 59 -16.199 3.422 1.353 1.00 0.00 H new ATOM 1724 N ASN B 60 -17.150 3.892 -7.707 1.00 0.00 N ATOM 1725 CA ASN B 60 -16.982 3.657 -9.137 1.00 0.00 C ATOM 1726 C ASN B 60 -15.834 2.684 -9.382 1.00 0.00 C ATOM 1727 O ASN B 60 -15.075 2.824 -10.342 1.00 0.00 O ATOM 1728 CB ASN B 60 -16.728 4.976 -9.867 1.00 0.00 C ATOM 1729 CG ASN B 60 -17.887 5.944 -9.721 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -19.014 5.645 -10.117 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -17.615 7.112 -9.149 1.00 0.00 N ATOM 0 H ASN B 60 -18.103 3.763 -7.367 1.00 0.00 H new ATOM 0 HA ASN B 60 -17.900 3.217 -9.527 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -15.821 5.437 -9.476 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -16.554 4.777 -10.924 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -18.355 7.803 -9.023 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -16.666 7.318 -8.836 1.00 0.00 H new ATOM 1738 N ILE B 61 -15.714 1.699 -8.494 1.00 0.00 N ATOM 1739 CA ILE B 61 -14.661 0.696 -8.590 1.00 0.00 C ATOM 1740 C ILE B 61 -14.809 -0.148 -9.853 1.00 0.00 C ATOM 1741 O ILE B 61 -15.867 -0.721 -10.112 1.00 0.00 O ATOM 1742 CB ILE B 61 -14.661 -0.229 -7.354 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -14.378 0.582 -6.084 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -13.640 -1.345 -7.522 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -14.407 -0.240 -4.813 1.00 0.00 C ATOM 0 H ILE B 61 -16.338 1.576 -7.696 1.00 0.00 H new ATOM 0 HA ILE B 61 -13.713 1.233 -8.635 1.00 0.00 H new ATOM 0 HB ILE B 61 -15.647 -0.684 -7.259 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -13.400 1.055 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -15.113 1.383 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -13.654 -1.987 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -13.887 -1.935 -8.405 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -12.646 -0.914 -7.641 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.198 0.404 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.392 -0.692 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -13.652 -1.024 -4.870 1.00 0.00 H new ATOM 1757 N GLN B 62 -13.734 -0.219 -10.630 1.00 0.00 N ATOM 1758 CA GLN B 62 -13.726 -0.995 -11.864 1.00 0.00 C ATOM 1759 C GLN B 62 -13.337 -2.445 -11.591 1.00 0.00 C ATOM 1760 O GLN B 62 -12.540 -2.722 -10.694 1.00 0.00 O ATOM 1761 CB GLN B 62 -12.762 -0.370 -12.876 1.00 0.00 C ATOM 1762 CG GLN B 62 -11.337 -0.242 -12.362 1.00 0.00 C ATOM 1763 CD GLN B 62 -10.411 0.411 -13.370 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -10.642 1.543 -13.799 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -9.354 -0.296 -13.755 1.00 0.00 N ATOM 0 H GLN B 62 -12.854 0.254 -10.426 1.00 0.00 H new ATOM 0 HA GLN B 62 -14.733 -0.984 -12.281 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -12.759 -0.974 -13.783 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -13.130 0.618 -13.153 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -11.337 0.343 -11.442 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -10.955 -1.231 -12.111 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -9.199 -1.230 -13.375 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -8.697 0.095 -14.430 1.00 0.00 H new ATOM 1774 N LYS B 63 -13.909 -3.365 -12.364 1.00 0.00 N ATOM 1775 CA LYS B 63 -13.625 -4.789 -12.202 1.00 0.00 C ATOM 1776 C LYS B 63 -12.120 -5.046 -12.153 1.00 0.00 C ATOM 1777 O LYS B 63 -11.350 -4.409 -12.873 1.00 0.00 O ATOM 1778 CB LYS B 63 -14.253 -5.591 -13.345 1.00 0.00 C ATOM 1779 CG LYS B 63 -13.731 -5.205 -14.720 1.00 0.00 C ATOM 1780 CD LYS B 63 -14.403 -6.011 -15.822 1.00 0.00 C ATOM 1781 CE LYS B 63 -15.895 -5.730 -15.896 1.00 0.00 C ATOM 1782 NZ LYS B 63 -16.176 -4.291 -16.158 1.00 0.00 N ATOM 0 H LYS B 63 -14.572 -3.150 -13.109 1.00 0.00 H new ATOM 0 HA LYS B 63 -14.061 -5.113 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.065 -6.652 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.334 -5.452 -13.324 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -13.903 -4.142 -14.890 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -12.653 -5.364 -14.758 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -13.940 -5.774 -16.780 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -14.242 -7.074 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -16.340 -6.336 -16.685 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.368 -6.028 -14.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -17.172 -4.177 -16.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -15.991 -3.739 -15.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -15.562 -3.951 -16.926 1.00 0.00 H new ATOM 1796 N GLU B 64 -11.713 -5.977 -11.294 1.00 0.00 N ATOM 1797 CA GLU B 64 -10.302 -6.319 -11.139 1.00 0.00 C ATOM 1798 C GLU B 64 -9.500 -5.107 -10.675 1.00 0.00 C ATOM 1799 O GLU B 64 -8.363 -4.898 -11.101 1.00 0.00 O ATOM 1800 CB GLU B 64 -9.731 -6.859 -12.454 1.00 0.00 C ATOM 1801 CG GLU B 64 -10.425 -8.119 -12.946 1.00 0.00 C ATOM 1802 CD GLU B 64 -9.849 -8.632 -14.251 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -8.640 -8.946 -14.285 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -10.607 -8.722 -15.241 1.00 0.00 O ATOM 0 H GLU B 64 -12.342 -6.509 -10.693 1.00 0.00 H new ATOM 0 HA GLU B 64 -10.224 -7.097 -10.379 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -9.811 -6.087 -13.220 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -8.669 -7.067 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -10.341 -8.896 -12.186 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -11.488 -7.916 -13.078 1.00 0.00 H new ATOM 1811 N SER B 65 -10.103 -4.315 -9.795 1.00 0.00 N ATOM 1812 CA SER B 65 -9.457 -3.121 -9.261 1.00 0.00 C ATOM 1813 C SER B 65 -8.286 -3.493 -8.356 1.00 0.00 C ATOM 1814 O SER B 65 -8.348 -4.474 -7.615 1.00 0.00 O ATOM 1815 CB SER B 65 -10.468 -2.275 -8.488 1.00 0.00 C ATOM 1816 OG SER B 65 -11.111 -3.042 -7.485 1.00 0.00 O ATOM 0 H SER B 65 -11.043 -4.479 -9.435 1.00 0.00 H new ATOM 0 HA SER B 65 -9.072 -2.540 -10.099 1.00 0.00 H new ATOM 0 HB2 SER B 65 -9.962 -1.424 -8.032 1.00 0.00 H new ATOM 0 HB3 SER B 65 -11.212 -1.872 -9.176 1.00 0.00 H new ATOM 0 HG SER B 65 -11.919 -3.454 -7.856 1.00 0.00 H new ATOM 1822 N THR B 66 -7.217 -2.705 -8.430 1.00 0.00 N ATOM 1823 CA THR B 66 -6.025 -2.951 -7.626 1.00 0.00 C ATOM 1824 C THR B 66 -6.024 -2.114 -6.345 1.00 0.00 C ATOM 1825 O THR B 66 -5.463 -1.019 -6.309 1.00 0.00 O ATOM 1826 CB THR B 66 -4.741 -2.652 -8.426 1.00 0.00 C ATOM 1827 OG1 THR B 66 -4.714 -3.446 -9.619 1.00 0.00 O ATOM 1828 CG2 THR B 66 -3.497 -2.942 -7.594 1.00 0.00 C ATOM 0 H THR B 66 -7.152 -1.890 -9.040 1.00 0.00 H new ATOM 0 HA THR B 66 -6.044 -4.007 -7.356 1.00 0.00 H new ATOM 0 HB THR B 66 -4.744 -1.594 -8.688 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.897 -3.250 -10.124 1.00 0.00 H new ATOM 0 HG21 THR B 66 -2.606 -2.722 -8.183 1.00 0.00 H new ATOM 0 HG22 THR B 66 -3.504 -2.319 -6.700 1.00 0.00 H new ATOM 0 HG23 THR B 66 -3.490 -3.993 -7.304 1.00 0.00 H new ATOM 1836 N LEU B 67 -6.641 -2.643 -5.290 1.00 0.00 N ATOM 1837 CA LEU B 67 -6.689 -1.949 -4.005 1.00 0.00 C ATOM 1838 C LEU B 67 -5.436 -2.258 -3.194 1.00 0.00 C ATOM 1839 O LEU B 67 -5.018 -3.413 -3.104 1.00 0.00 O ATOM 1840 CB LEU B 67 -7.935 -2.354 -3.206 1.00 0.00 C ATOM 1841 CG LEU B 67 -9.257 -1.739 -3.678 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -9.574 -2.158 -5.103 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -10.390 -2.137 -2.743 1.00 0.00 C ATOM 0 H LEU B 67 -7.113 -3.547 -5.300 1.00 0.00 H new ATOM 0 HA LEU B 67 -6.738 -0.878 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.028 -3.439 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -7.780 -2.079 -2.163 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.152 -0.654 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.517 -1.708 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -8.777 -1.823 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -9.656 -3.244 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.322 -1.693 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -10.488 -3.223 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -10.173 -1.781 -1.736 1.00 0.00 H new ATOM 1855 N HIS B 68 -4.835 -1.225 -2.614 1.00 0.00 N ATOM 1856 CA HIS B 68 -3.624 -1.406 -1.821 1.00 0.00 C ATOM 1857 C HIS B 68 -3.938 -1.514 -0.334 1.00 0.00 C ATOM 1858 O HIS B 68 -4.660 -0.688 0.223 1.00 0.00 O ATOM 1859 CB HIS B 68 -2.640 -0.263 -2.074 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.109 -0.227 -3.475 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -1.115 0.637 -3.880 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -2.437 -0.957 -4.569 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -0.854 0.439 -5.160 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -1.642 -0.522 -5.600 1.00 0.00 N ATOM 0 H HIS B 68 -5.163 -0.261 -2.677 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.164 -2.343 -2.134 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -3.133 0.684 -1.857 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -1.804 -0.354 -1.380 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.184 -1.735 -4.620 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.120 0.973 -5.746 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -1.658 -0.884 -6.553 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.383 -2.541 0.302 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.593 -2.772 1.726 1.00 0.00 C ATOM 1875 C LEU B 69 -2.312 -2.512 2.515 1.00 0.00 C ATOM 1876 O LEU B 69 -1.286 -3.152 2.282 1.00 0.00 O ATOM 1877 CB LEU B 69 -4.067 -4.209 1.956 1.00 0.00 C ATOM 1878 CG LEU B 69 -4.238 -4.622 3.420 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -5.311 -3.782 4.096 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -4.580 -6.102 3.513 1.00 0.00 C ATOM 0 H LEU B 69 -2.781 -3.230 -0.150 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.358 -2.079 2.078 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -5.020 -4.344 1.445 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -3.355 -4.887 1.486 1.00 0.00 H new ATOM 0 HG LEU B 69 -3.295 -4.449 3.939 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -5.415 -4.093 5.135 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.027 -2.730 4.059 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -6.261 -3.920 3.579 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -4.699 -6.383 4.559 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -5.510 -6.295 2.978 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -3.777 -6.690 3.069 1.00 0.00 H new ATOM 1892 N VAL B 70 -2.382 -1.572 3.453 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.233 -1.229 4.283 1.00 0.00 C ATOM 1894 C VAL B 70 -1.285 -1.960 5.624 1.00 0.00 C ATOM 1895 O VAL B 70 -2.217 -1.774 6.408 1.00 0.00 O ATOM 1896 CB VAL B 70 -1.159 0.293 4.526 1.00 0.00 C ATOM 1897 CG1 VAL B 70 -0.101 0.633 5.566 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -0.876 1.023 3.219 1.00 0.00 C ATOM 0 H VAL B 70 -3.224 -1.034 3.657 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.339 -1.544 3.745 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.124 0.622 4.911 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.072 1.712 5.716 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.346 0.142 6.508 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.873 0.289 5.220 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -0.826 2.096 3.405 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.075 0.681 2.810 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -1.674 0.815 2.506 1.00 0.00 H new ATOM 1908 N LEU B 71 -0.277 -2.790 5.881 1.00 0.00 N ATOM 1909 CA LEU B 71 -0.207 -3.546 7.128 1.00 0.00 C ATOM 1910 C LEU B 71 0.374 -2.697 8.251 1.00 0.00 C ATOM 1911 O LEU B 71 1.359 -1.983 8.058 1.00 0.00 O ATOM 1912 CB LEU B 71 0.632 -4.811 6.941 1.00 0.00 C ATOM 1913 CG LEU B 71 0.057 -5.831 5.957 1.00 0.00 C ATOM 1914 CD1 LEU B 71 1.005 -7.007 5.796 1.00 0.00 C ATOM 1915 CD2 LEU B 71 -1.312 -6.311 6.423 1.00 0.00 C ATOM 0 H LEU B 71 0.501 -2.956 5.243 1.00 0.00 H new ATOM 0 HA LEU B 71 -1.222 -3.832 7.403 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.626 -4.522 6.601 1.00 0.00 H new ATOM 0 HB3 LEU B 71 0.755 -5.294 7.911 1.00 0.00 H new ATOM 0 HG LEU B 71 -0.060 -5.346 4.988 1.00 0.00 H new ATOM 0 HD11 LEU B 71 0.580 -7.723 5.092 1.00 0.00 H new ATOM 0 HD12 LEU B 71 1.964 -6.652 5.418 1.00 0.00 H new ATOM 0 HD13 LEU B 71 1.152 -7.491 6.762 1.00 0.00 H new ATOM 0 HD21 LEU B 71 -1.705 -7.036 5.710 1.00 0.00 H new ATOM 0 HD22 LEU B 71 -1.219 -6.779 7.403 1.00 0.00 H new ATOM 0 HD23 LEU B 71 -1.992 -5.462 6.489 1.00 0.00 H new ATOM 1927 N ARG B 72 -0.241 -2.780 9.424 1.00 0.00 N ATOM 1928 CA ARG B 72 0.213 -2.017 10.581 1.00 0.00 C ATOM 1929 C ARG B 72 1.561 -2.528 11.083 1.00 0.00 C ATOM 1930 O ARG B 72 2.499 -1.753 11.269 1.00 0.00 O ATOM 1931 CB ARG B 72 -0.823 -2.094 11.703 1.00 0.00 C ATOM 1932 CG ARG B 72 -0.449 -1.290 12.937 1.00 0.00 C ATOM 1933 CD ARG B 72 -1.482 -1.454 14.040 1.00 0.00 C ATOM 1934 NE ARG B 72 -1.162 -0.647 15.213 1.00 0.00 N ATOM 1935 CZ ARG B 72 -1.893 -0.632 16.323 1.00 0.00 C ATOM 1936 NH1 ARG B 72 -2.979 -1.390 16.415 1.00 0.00 N ATOM 1937 NH2 ARG B 72 -1.538 0.138 17.341 1.00 0.00 N ATOM 0 H ARG B 72 -1.056 -3.368 9.600 1.00 0.00 H new ATOM 0 HA ARG B 72 0.334 -0.978 10.273 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -1.782 -1.738 11.325 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -0.960 -3.137 11.988 1.00 0.00 H new ATOM 0 HG2 ARG B 72 0.527 -1.611 13.300 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -0.360 -0.236 12.673 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -2.464 -1.170 13.662 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -1.542 -2.504 14.327 1.00 0.00 H new ATOM 0 HE ARG B 72 -0.328 -0.060 15.179 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -3.253 -1.985 15.633 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -3.539 -1.377 17.267 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -0.703 0.720 17.273 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -2.100 0.149 18.192 1.00 0.00 H new