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: A 19 MET CE :methyl -178:sc= -8.24! (180deg=-7.93!) USER MOD Set 1.2: B 68 HIS : no HD1:sc= -3.69! C(o=-12!,f=-20!) USER MOD Set 2.1: B 55 THR OG1 : rot 115:sc= 0.729 USER MOD Set 2.2: B 57 SER OG : rot 180:sc= 0.644 USER MOD Set 3.1: B 7 THR OG1 : rot -108:sc= 0.0472 USER MOD Set 3.2: B 9 THR OG1 : rot 180:sc= -0.507 USER MOD Set 4.1: A 35 ASN : amide:sc= -6.2! C(o=-6!,f=-7!) USER MOD Set 4.2: A 42 THR OG1 : rot 92:sc= 0.237 USER MOD Set 5.1: A 9 HIS :FLIP no HE2:sc= -1.49 F(o=-3.5,f=-1.6) USER MOD Set 5.2: A 37 ASN : amide:sc= -0.124 K(o=-1.6,f=-4.5!) USER MOD Single : A 11 SER OG : rot -81:sc= 0.185 USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= -3.82! (180deg=-4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 163:sc= -0.379 (180deg=-1.71) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0285 (180deg=-0.286) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-2.9!) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.149 F(o=-2.5!,f=-0.15) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0474 (180deg=-0.307) USER MOD Single : B 1 MET CE :methyl 137:sc= -4.09! (180deg=-4.48!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.0662 F(o=-1.6!,f=-0.066) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -170:sc= -0.0173 (180deg=-0.146) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= -1.46 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : B 27 LYS NZ :NH3+ -155:sc= 0.00126 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 169:sc= -0.0205 (180deg=-0.185) USER MOD Single : B 31 GLN : amide:sc= -0.931 K(o=-0.93,f=-1.9) USER MOD Single : B 33 LYS NZ :NH3+ -140:sc= -9.06! (180deg=-12.8!) USER MOD Single : B 40 GLN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : B 41 GLN :FLIP amide:sc= -2.34! C(o=-3.9!,f=-2.3!) USER MOD Single : B 48 LYS NZ :NH3+ -139:sc= -2.98! (180deg=-5.62!) USER MOD Single : B 49 GLN :FLIP amide:sc= -0.377 F(o=-2.9!,f=-0.38) USER MOD Single : B 59 TYR OH : rot -81:sc= -0.0209 USER MOD Single : B 60 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.7) USER MOD Single : B 62 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.088) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot -110:sc= -0.258 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N ASP A 8 16.038 2.328 -1.154 1.00 0.00 N ATOM 28 CA ASP A 8 15.029 1.608 -1.924 1.00 0.00 C ATOM 29 C ASP A 8 13.626 2.059 -1.532 1.00 0.00 C ATOM 30 O ASP A 8 12.707 1.246 -1.420 1.00 0.00 O ATOM 31 CB ASP A 8 15.180 0.098 -1.714 1.00 0.00 C ATOM 32 CG ASP A 8 14.317 -0.715 -2.662 1.00 0.00 C ATOM 33 OD1 ASP A 8 13.622 -0.110 -3.505 1.00 0.00 O ATOM 34 OD2 ASP A 8 14.339 -1.960 -2.561 1.00 0.00 O ATOM 0 HA ASP A 8 15.178 1.833 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 8 16.225 -0.181 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.916 -0.150 -0.686 1.00 0.00 H new ATOM 39 N HIS A 9 13.463 3.363 -1.338 1.00 0.00 N ATOM 40 CA HIS A 9 12.167 3.918 -0.977 1.00 0.00 C ATOM 41 C HIS A 9 11.303 4.092 -2.220 1.00 0.00 C ATOM 42 O HIS A 9 10.078 4.157 -2.132 1.00 0.00 O ATOM 43 CB HIS A 9 12.296 5.243 -0.210 1.00 0.00 C ATOM 44 CG HIS A 9 12.642 6.443 -1.043 1.00 0.00 C ATOM 45 ND1 HIS A 9 13.189 6.563 -2.278 1.00 0.00 N flip ATOM 46 CD2 HIS A 9 12.424 7.730 -0.600 1.00 0.00 C flip ATOM 47 CE1 HIS A 9 13.285 7.905 -2.552 1.00 0.00 C flip ATOM 48 NE2 HIS A 9 12.814 8.586 -1.524 1.00 0.00 N flip ATOM 0 H HIS A 9 14.210 4.052 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 9 11.682 3.210 -0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.354 5.438 0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.059 5.124 0.559 1.00 0.00 H new ATOM 0 HD1 HIS A 9 13.476 5.799 -2.890 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.999 7.996 0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.681 8.334 -3.461 1.00 0.00 H new ATOM 57 N GLU A 10 11.961 4.189 -3.377 1.00 0.00 N ATOM 58 CA GLU A 10 11.268 4.377 -4.646 1.00 0.00 C ATOM 59 C GLU A 10 10.144 3.363 -4.802 1.00 0.00 C ATOM 60 O GLU A 10 9.092 3.679 -5.355 1.00 0.00 O ATOM 61 CB GLU A 10 12.251 4.251 -5.813 1.00 0.00 C ATOM 62 CG GLU A 10 12.922 2.889 -5.900 1.00 0.00 C ATOM 63 CD GLU A 10 13.864 2.776 -7.084 1.00 0.00 C ATOM 64 OE1 GLU A 10 13.991 3.763 -7.838 1.00 0.00 O ATOM 65 OE2 GLU A 10 14.474 1.700 -7.255 1.00 0.00 O ATOM 0 H GLU A 10 12.977 4.140 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 10 10.836 5.378 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.722 4.446 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.018 5.019 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.477 2.702 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.157 2.116 -5.974 1.00 0.00 H new ATOM 72 N SER A 11 10.356 2.155 -4.289 1.00 0.00 N ATOM 73 CA SER A 11 9.332 1.123 -4.354 1.00 0.00 C ATOM 74 C SER A 11 8.081 1.628 -3.648 1.00 0.00 C ATOM 75 O SER A 11 6.972 1.587 -4.193 1.00 0.00 O ATOM 76 CB SER A 11 9.828 -0.168 -3.699 1.00 0.00 C ATOM 77 OG SER A 11 10.112 0.034 -2.325 1.00 0.00 O ATOM 0 H SER A 11 11.220 1.870 -3.828 1.00 0.00 H new ATOM 0 HA SER A 11 9.102 0.903 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.074 -0.947 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.724 -0.518 -4.211 1.00 0.00 H new ATOM 0 HG SER A 11 11.001 0.436 -2.230 1.00 0.00 H new ATOM 83 N LYS A 12 8.283 2.149 -2.440 1.00 0.00 N ATOM 84 CA LYS A 12 7.189 2.709 -1.661 1.00 0.00 C ATOM 85 C LYS A 12 6.555 3.857 -2.436 1.00 0.00 C ATOM 86 O LYS A 12 5.334 4.024 -2.441 1.00 0.00 O ATOM 87 CB LYS A 12 7.691 3.196 -0.298 1.00 0.00 C ATOM 88 CG LYS A 12 8.146 2.071 0.620 1.00 0.00 C ATOM 89 CD LYS A 12 8.497 2.587 2.010 1.00 0.00 C ATOM 90 CE LYS A 12 9.739 3.463 1.990 1.00 0.00 C ATOM 91 NZ LYS A 12 10.950 2.697 1.592 1.00 0.00 N ATOM 0 H LYS A 12 9.194 2.194 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 12 6.441 1.935 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.520 3.887 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.896 3.756 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.357 1.323 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.014 1.575 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.657 3.156 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.658 1.743 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.589 4.291 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.893 3.898 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.766 3.340 1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.138 1.954 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.794 2.261 0.661 1.00 0.00 H new ATOM 105 N LEU A 13 7.403 4.631 -3.110 1.00 0.00 N ATOM 106 CA LEU A 13 6.943 5.750 -3.918 1.00 0.00 C ATOM 107 C LEU A 13 6.023 5.243 -5.021 1.00 0.00 C ATOM 108 O LEU A 13 5.011 5.867 -5.339 1.00 0.00 O ATOM 109 CB LEU A 13 8.135 6.495 -4.525 1.00 0.00 C ATOM 110 CG LEU A 13 7.779 7.713 -5.381 1.00 0.00 C ATOM 111 CD1 LEU A 13 7.109 8.785 -4.537 1.00 0.00 C ATOM 112 CD2 LEU A 13 9.022 8.268 -6.060 1.00 0.00 C ATOM 0 H LEU A 13 8.415 4.500 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 13 6.391 6.442 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.790 6.819 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.706 5.796 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 13 7.076 7.396 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.864 9.642 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.196 8.384 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.786 9.099 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.751 9.133 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.747 8.567 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.460 7.502 -6.700 1.00 0.00 H new ATOM 124 N SER A 14 6.378 4.090 -5.588 1.00 0.00 N ATOM 125 CA SER A 14 5.579 3.480 -6.642 1.00 0.00 C ATOM 126 C SER A 14 4.176 3.206 -6.126 1.00 0.00 C ATOM 127 O SER A 14 3.185 3.554 -6.773 1.00 0.00 O ATOM 128 CB SER A 14 6.228 2.180 -7.121 1.00 0.00 C ATOM 129 OG SER A 14 5.469 1.584 -8.159 1.00 0.00 O ATOM 0 H SER A 14 7.213 3.563 -5.333 1.00 0.00 H new ATOM 0 HA SER A 14 5.523 4.168 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.238 2.383 -7.476 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.317 1.485 -6.286 1.00 0.00 H new ATOM 0 HG SER A 14 5.905 0.756 -8.449 1.00 0.00 H new ATOM 135 N ILE A 15 4.098 2.601 -4.941 1.00 0.00 N ATOM 136 CA ILE A 15 2.806 2.311 -4.330 1.00 0.00 C ATOM 137 C ILE A 15 2.005 3.598 -4.161 1.00 0.00 C ATOM 138 O ILE A 15 0.797 3.619 -4.388 1.00 0.00 O ATOM 139 CB ILE A 15 2.951 1.612 -2.957 1.00 0.00 C ATOM 140 CG1 ILE A 15 3.264 0.124 -3.131 1.00 0.00 C ATOM 141 CG2 ILE A 15 1.684 1.785 -2.134 1.00 0.00 C ATOM 142 CD1 ILE A 15 4.575 -0.154 -3.833 1.00 0.00 C ATOM 0 H ILE A 15 4.905 2.306 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 15 2.281 1.629 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 15 3.782 2.080 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.282 -0.350 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.456 -0.343 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.804 1.287 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.497 2.847 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.841 1.345 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.722 -1.231 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.555 0.288 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.394 0.281 -3.260 1.00 0.00 H new ATOM 154 N LEU A 16 2.687 4.670 -3.766 1.00 0.00 N ATOM 155 CA LEU A 16 2.034 5.961 -3.576 1.00 0.00 C ATOM 156 C LEU A 16 1.400 6.446 -4.879 1.00 0.00 C ATOM 157 O LEU A 16 0.287 6.970 -4.880 1.00 0.00 O ATOM 158 CB LEU A 16 3.036 7.005 -3.071 1.00 0.00 C ATOM 159 CG LEU A 16 3.605 6.751 -1.672 1.00 0.00 C ATOM 160 CD1 LEU A 16 4.561 7.869 -1.279 1.00 0.00 C ATOM 161 CD2 LEU A 16 2.484 6.628 -0.651 1.00 0.00 C ATOM 0 H LEU A 16 3.688 4.670 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 16 1.250 5.831 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.865 7.059 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.550 7.981 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 16 4.156 5.811 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.958 7.675 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.382 7.914 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.028 8.820 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.909 6.448 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.905 7.551 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.834 5.797 -0.923 1.00 0.00 H new ATOM 173 N MET A 17 2.120 6.273 -5.982 1.00 0.00 N ATOM 174 CA MET A 17 1.634 6.697 -7.293 1.00 0.00 C ATOM 175 C MET A 17 0.356 5.959 -7.683 1.00 0.00 C ATOM 176 O MET A 17 -0.632 6.578 -8.077 1.00 0.00 O ATOM 177 CB MET A 17 2.707 6.458 -8.356 1.00 0.00 C ATOM 178 CG MET A 17 3.967 7.284 -8.154 1.00 0.00 C ATOM 179 SD MET A 17 5.246 6.903 -9.366 1.00 0.00 S ATOM 180 CE MET A 17 4.376 7.237 -10.896 1.00 0.00 C ATOM 0 H MET A 17 3.044 5.841 -5.996 1.00 0.00 H new ATOM 0 HA MET A 17 1.408 7.762 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.973 5.401 -8.358 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.289 6.684 -9.337 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.717 8.343 -8.216 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.357 7.107 -7.152 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.095 7.343 -11.708 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.699 6.412 -11.117 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.804 8.159 -10.795 1.00 0.00 H new ATOM 190 N ASP A 18 0.390 4.635 -7.586 1.00 0.00 N ATOM 191 CA ASP A 18 -0.762 3.812 -7.945 1.00 0.00 C ATOM 192 C ASP A 18 -1.926 4.021 -6.978 1.00 0.00 C ATOM 193 O ASP A 18 -3.077 4.139 -7.399 1.00 0.00 O ATOM 194 CB ASP A 18 -0.363 2.333 -7.977 1.00 0.00 C ATOM 195 CG ASP A 18 -1.498 1.429 -8.417 1.00 0.00 C ATOM 196 OD1 ASP A 18 -2.533 1.389 -7.719 1.00 0.00 O ATOM 197 OD2 ASP A 18 -1.352 0.760 -9.462 1.00 0.00 O ATOM 0 H ASP A 18 1.201 4.108 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.094 4.118 -8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.482 2.204 -8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.027 2.030 -6.985 1.00 0.00 H new ATOM 202 N MET A 19 -1.623 4.050 -5.685 1.00 0.00 N ATOM 203 CA MET A 19 -2.650 4.230 -4.664 1.00 0.00 C ATOM 204 C MET A 19 -3.393 5.549 -4.855 1.00 0.00 C ATOM 205 O MET A 19 -4.624 5.577 -4.873 1.00 0.00 O ATOM 206 CB MET A 19 -2.031 4.175 -3.265 1.00 0.00 C ATOM 207 CG MET A 19 -3.060 4.148 -2.147 1.00 0.00 C ATOM 208 SD MET A 19 -2.319 4.205 -0.509 1.00 0.00 S ATOM 209 CE MET A 19 -1.665 2.545 -0.386 1.00 0.00 C ATOM 0 H MET A 19 -0.676 3.951 -5.319 1.00 0.00 H new ATOM 0 HA MET A 19 -3.367 3.416 -4.767 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.401 3.289 -3.190 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.382 5.040 -3.129 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.737 4.994 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.662 3.244 -2.236 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.203 2.408 0.592 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.474 1.825 -0.509 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.919 2.389 -1.165 1.00 0.00 H new ATOM 219 N PHE A 20 -2.642 6.638 -5.000 1.00 0.00 N ATOM 220 CA PHE A 20 -3.242 7.955 -5.194 1.00 0.00 C ATOM 221 C PHE A 20 -3.172 8.362 -6.666 1.00 0.00 C ATOM 222 O PHE A 20 -2.139 8.841 -7.135 1.00 0.00 O ATOM 223 CB PHE A 20 -2.533 8.999 -4.326 1.00 0.00 C ATOM 224 CG PHE A 20 -2.317 8.550 -2.908 1.00 0.00 C ATOM 225 CD1 PHE A 20 -3.363 8.544 -1.999 1.00 0.00 C ATOM 226 CD2 PHE A 20 -1.065 8.132 -2.486 1.00 0.00 C ATOM 227 CE1 PHE A 20 -3.165 8.128 -0.696 1.00 0.00 C ATOM 228 CE2 PHE A 20 -0.861 7.716 -1.185 1.00 0.00 C ATOM 229 CZ PHE A 20 -1.912 7.713 -0.289 1.00 0.00 C ATOM 0 H PHE A 20 -1.622 6.635 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.289 7.903 -4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.569 9.239 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.120 9.917 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.344 8.868 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.239 8.132 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.989 8.127 0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.120 7.393 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.754 7.387 0.728 1.00 0.00 H new ATOM 239 N PRO A 21 -4.272 8.167 -7.421 1.00 0.00 N ATOM 240 CA PRO A 21 -4.323 8.508 -8.845 1.00 0.00 C ATOM 241 C PRO A 21 -4.562 9.996 -9.093 1.00 0.00 C ATOM 242 O PRO A 21 -5.453 10.368 -9.857 1.00 0.00 O ATOM 243 CB PRO A 21 -5.510 7.688 -9.344 1.00 0.00 C ATOM 244 CG PRO A 21 -6.428 7.610 -8.174 1.00 0.00 C ATOM 245 CD PRO A 21 -5.549 7.592 -6.948 1.00 0.00 C ATOM 0 HA PRO A 21 -3.381 8.294 -9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.993 8.167 -10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.198 6.696 -9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.106 8.463 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.046 6.713 -8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.979 8.183 -6.139 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.415 6.580 -6.567 1.00 0.00 H new ATOM 253 N ALA A 22 -3.768 10.846 -8.446 1.00 0.00 N ATOM 254 CA ALA A 22 -3.911 12.289 -8.608 1.00 0.00 C ATOM 255 C ALA A 22 -2.714 13.043 -8.036 1.00 0.00 C ATOM 256 O ALA A 22 -2.221 13.992 -8.647 1.00 0.00 O ATOM 257 CB ALA A 22 -5.197 12.768 -7.952 1.00 0.00 C ATOM 0 H ALA A 22 -3.024 10.562 -7.809 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.954 12.499 -9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.291 13.846 -8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.049 12.272 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.174 12.530 -6.889 1.00 0.00 H new ATOM 263 N ILE A 23 -2.255 12.626 -6.860 1.00 0.00 N ATOM 264 CA ILE A 23 -1.121 13.274 -6.210 1.00 0.00 C ATOM 265 C ILE A 23 0.131 13.206 -7.082 1.00 0.00 C ATOM 266 O ILE A 23 0.461 12.154 -7.632 1.00 0.00 O ATOM 267 CB ILE A 23 -0.814 12.640 -4.839 1.00 0.00 C ATOM 268 CG1 ILE A 23 -2.050 12.706 -3.935 1.00 0.00 C ATOM 269 CG2 ILE A 23 0.367 13.342 -4.184 1.00 0.00 C ATOM 270 CD1 ILE A 23 -1.847 12.062 -2.579 1.00 0.00 C ATOM 0 H ILE A 23 -2.650 11.844 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.401 14.317 -6.063 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.551 11.593 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.331 13.750 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.884 12.217 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.572 12.883 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.245 13.249 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.131 14.397 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.763 12.147 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.597 11.009 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.035 12.566 -2.055 1.00 0.00 H new ATOM 282 N SER A 24 0.822 14.336 -7.201 1.00 0.00 N ATOM 283 CA SER A 24 2.040 14.413 -8.001 1.00 0.00 C ATOM 284 C SER A 24 3.149 13.559 -7.395 1.00 0.00 C ATOM 285 O SER A 24 3.267 13.456 -6.174 1.00 0.00 O ATOM 286 CB SER A 24 2.508 15.865 -8.119 1.00 0.00 C ATOM 287 OG SER A 24 3.680 15.961 -8.910 1.00 0.00 O ATOM 0 H SER A 24 0.558 15.213 -6.752 1.00 0.00 H new ATOM 0 HA SER A 24 1.813 14.028 -8.995 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.717 16.471 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.702 16.270 -7.126 1.00 0.00 H new ATOM 0 HG SER A 24 3.957 16.899 -8.971 1.00 0.00 H new ATOM 293 N LYS A 25 3.958 12.949 -8.258 1.00 0.00 N ATOM 294 CA LYS A 25 5.061 12.104 -7.812 1.00 0.00 C ATOM 295 C LYS A 25 5.983 12.862 -6.861 1.00 0.00 C ATOM 296 O LYS A 25 6.390 12.336 -5.826 1.00 0.00 O ATOM 297 CB LYS A 25 5.868 11.603 -9.011 1.00 0.00 C ATOM 298 CG LYS A 25 5.091 10.676 -9.930 1.00 0.00 C ATOM 299 CD LYS A 25 5.914 10.269 -11.145 1.00 0.00 C ATOM 300 CE LYS A 25 7.177 9.520 -10.746 1.00 0.00 C ATOM 301 NZ LYS A 25 7.979 9.112 -11.933 1.00 0.00 N ATOM 0 H LYS A 25 3.870 13.025 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 25 4.634 11.253 -7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.217 12.461 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.754 11.081 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.790 9.785 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.177 11.171 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.310 9.640 -11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.183 11.158 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.784 10.152 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.908 8.636 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.831 8.605 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.409 8.489 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.258 9.957 -12.471 1.00 0.00 H new ATOM 315 N SER A 26 6.310 14.097 -7.226 1.00 0.00 N ATOM 316 CA SER A 26 7.188 14.930 -6.413 1.00 0.00 C ATOM 317 C SER A 26 6.640 15.089 -5.001 1.00 0.00 C ATOM 318 O SER A 26 7.379 14.979 -4.023 1.00 0.00 O ATOM 319 CB SER A 26 7.368 16.304 -7.060 1.00 0.00 C ATOM 320 OG SER A 26 8.204 17.135 -6.272 1.00 0.00 O ATOM 0 H SER A 26 5.979 14.544 -8.081 1.00 0.00 H new ATOM 0 HA SER A 26 8.157 14.435 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.799 16.187 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.395 16.779 -7.188 1.00 0.00 H new ATOM 0 HG SER A 26 8.304 18.007 -6.709 1.00 0.00 H new ATOM 326 N LYS A 27 5.340 15.350 -4.899 1.00 0.00 N ATOM 327 CA LYS A 27 4.697 15.528 -3.604 1.00 0.00 C ATOM 328 C LYS A 27 4.813 14.264 -2.755 1.00 0.00 C ATOM 329 O LYS A 27 5.207 14.325 -1.590 1.00 0.00 O ATOM 330 CB LYS A 27 3.227 15.902 -3.796 1.00 0.00 C ATOM 331 CG LYS A 27 2.484 16.144 -2.495 1.00 0.00 C ATOM 332 CD LYS A 27 1.037 16.532 -2.746 1.00 0.00 C ATOM 333 CE LYS A 27 0.928 17.877 -3.450 1.00 0.00 C ATOM 334 NZ LYS A 27 1.501 18.981 -2.631 1.00 0.00 N ATOM 0 H LYS A 27 4.713 15.443 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 27 5.206 16.336 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.167 16.800 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.727 15.105 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.520 15.244 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.981 16.934 -1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.554 15.765 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.502 16.573 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.447 17.829 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.119 18.090 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.202 19.896 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.163 18.898 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.539 18.921 -2.645 1.00 0.00 H new ATOM 348 N LEU A 28 4.476 13.121 -3.347 1.00 0.00 N ATOM 349 CA LEU A 28 4.548 11.842 -2.645 1.00 0.00 C ATOM 350 C LEU A 28 5.956 11.591 -2.112 1.00 0.00 C ATOM 351 O LEU A 28 6.129 11.116 -0.990 1.00 0.00 O ATOM 352 CB LEU A 28 4.125 10.701 -3.575 1.00 0.00 C ATOM 353 CG LEU A 28 2.649 10.711 -3.985 1.00 0.00 C ATOM 354 CD1 LEU A 28 2.383 9.668 -5.058 1.00 0.00 C ATOM 355 CD2 LEU A 28 1.760 10.466 -2.774 1.00 0.00 C ATOM 0 H LEU A 28 4.150 13.054 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 28 3.863 11.881 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.737 10.742 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.343 9.753 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 28 2.414 11.693 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.329 9.692 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.994 9.884 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.635 8.679 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.715 10.476 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.000 9.497 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.928 11.249 -2.035 1.00 0.00 H new ATOM 367 N GLN A 29 6.957 11.919 -2.922 1.00 0.00 N ATOM 368 CA GLN A 29 8.352 11.738 -2.533 1.00 0.00 C ATOM 369 C GLN A 29 8.692 12.607 -1.325 1.00 0.00 C ATOM 370 O GLN A 29 9.364 12.159 -0.397 1.00 0.00 O ATOM 371 CB GLN A 29 9.274 12.084 -3.704 1.00 0.00 C ATOM 372 CG GLN A 29 10.754 11.970 -3.374 1.00 0.00 C ATOM 373 CD GLN A 29 11.638 12.305 -4.559 1.00 0.00 C ATOM 374 OE1 GLN A 29 11.584 11.645 -5.595 1.00 0.00 O ATOM 375 NE2 GLN A 29 12.458 13.339 -4.410 1.00 0.00 N ATOM 0 H GLN A 29 6.828 12.313 -3.854 1.00 0.00 H new ATOM 0 HA GLN A 29 8.500 10.693 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.046 11.424 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.062 13.101 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.991 12.639 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.971 10.956 -3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.469 13.859 -3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.076 13.614 -5.173 1.00 0.00 H new ATOM 384 N VAL A 30 8.223 13.851 -1.348 1.00 0.00 N ATOM 385 CA VAL A 30 8.475 14.790 -0.259 1.00 0.00 C ATOM 386 C VAL A 30 7.937 14.258 1.066 1.00 0.00 C ATOM 387 O VAL A 30 8.656 14.212 2.066 1.00 0.00 O ATOM 388 CB VAL A 30 7.836 16.162 -0.550 1.00 0.00 C ATOM 389 CG1 VAL A 30 8.041 17.115 0.618 1.00 0.00 C ATOM 390 CG2 VAL A 30 8.407 16.752 -1.830 1.00 0.00 C ATOM 0 H VAL A 30 7.665 14.233 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 30 9.556 14.907 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 30 6.764 16.018 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.581 18.076 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.581 16.697 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.108 17.255 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.946 17.721 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.484 16.878 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.201 16.081 -2.664 1.00 0.00 H new ATOM 400 N HIS A 31 6.670 13.854 1.066 1.00 0.00 N ATOM 401 CA HIS A 31 6.039 13.324 2.270 1.00 0.00 C ATOM 402 C HIS A 31 6.761 12.074 2.751 1.00 0.00 C ATOM 403 O HIS A 31 6.965 11.885 3.950 1.00 0.00 O ATOM 404 CB HIS A 31 4.569 12.995 2.008 1.00 0.00 C ATOM 405 CG HIS A 31 3.760 14.170 1.557 1.00 0.00 C ATOM 406 ND1 HIS A 31 3.661 15.339 2.281 1.00 0.00 N ATOM 407 CD2 HIS A 31 3.004 14.350 0.449 1.00 0.00 C ATOM 408 CE1 HIS A 31 2.877 16.187 1.639 1.00 0.00 C ATOM 409 NE2 HIS A 31 2.467 15.612 0.525 1.00 0.00 N ATOM 0 H HIS A 31 6.062 13.883 0.248 1.00 0.00 H new ATOM 0 HA HIS A 31 6.101 14.090 3.043 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.510 12.213 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.129 12.590 2.919 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.121 15.521 3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.851 13.635 -0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.616 17.181 1.970 1.00 0.00 H new ATOM 418 N LEU A 32 7.138 11.221 1.806 1.00 0.00 N ATOM 419 CA LEU A 32 7.833 9.981 2.127 1.00 0.00 C ATOM 420 C LEU A 32 9.154 10.258 2.838 1.00 0.00 C ATOM 421 O LEU A 32 9.491 9.593 3.815 1.00 0.00 O ATOM 422 CB LEU A 32 8.084 9.171 0.853 1.00 0.00 C ATOM 423 CG LEU A 32 8.788 7.830 1.068 1.00 0.00 C ATOM 424 CD1 LEU A 32 7.980 6.948 2.007 1.00 0.00 C ATOM 425 CD2 LEU A 32 9.012 7.127 -0.260 1.00 0.00 C ATOM 0 H LEU A 32 6.974 11.366 0.810 1.00 0.00 H new ATOM 0 HA LEU A 32 7.199 9.404 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.128 8.988 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.683 9.773 0.170 1.00 0.00 H new ATOM 0 HG LEU A 32 9.759 8.021 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.496 5.998 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.869 7.447 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.995 6.765 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.514 6.175 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.052 6.949 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.631 7.752 -0.903 1.00 0.00 H new ATOM 437 N LEU A 33 9.899 11.239 2.340 1.00 0.00 N ATOM 438 CA LEU A 33 11.186 11.596 2.929 1.00 0.00 C ATOM 439 C LEU A 33 11.022 12.107 4.358 1.00 0.00 C ATOM 440 O LEU A 33 11.743 11.687 5.264 1.00 0.00 O ATOM 441 CB LEU A 33 11.881 12.659 2.077 1.00 0.00 C ATOM 442 CG LEU A 33 12.268 12.211 0.667 1.00 0.00 C ATOM 443 CD1 LEU A 33 12.836 13.376 -0.128 1.00 0.00 C ATOM 444 CD2 LEU A 33 13.274 11.071 0.730 1.00 0.00 C ATOM 0 H LEU A 33 9.635 11.801 1.531 1.00 0.00 H new ATOM 0 HA LEU A 33 11.799 10.695 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.224 13.525 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.781 12.987 2.597 1.00 0.00 H new ATOM 0 HG LEU A 33 11.371 11.855 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.105 13.037 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.088 14.165 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.723 13.762 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.539 10.764 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.169 11.404 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.835 10.227 1.262 1.00 0.00 H new ATOM 456 N GLU A 34 10.078 13.024 4.550 1.00 0.00 N ATOM 457 CA GLU A 34 9.830 13.606 5.866 1.00 0.00 C ATOM 458 C GLU A 34 9.334 12.566 6.868 1.00 0.00 C ATOM 459 O GLU A 34 9.773 12.543 8.018 1.00 0.00 O ATOM 460 CB GLU A 34 8.806 14.739 5.761 1.00 0.00 C ATOM 461 CG GLU A 34 9.241 15.877 4.852 1.00 0.00 C ATOM 462 CD GLU A 34 8.213 16.990 4.783 1.00 0.00 C ATOM 463 OE1 GLU A 34 7.908 17.583 5.838 1.00 0.00 O ATOM 464 OE2 GLU A 34 7.713 17.268 3.673 1.00 0.00 O ATOM 0 H GLU A 34 9.472 13.380 3.811 1.00 0.00 H new ATOM 0 HA GLU A 34 10.781 13.998 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.864 14.332 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.614 15.136 6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.187 16.282 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.420 15.489 3.849 1.00 0.00 H new ATOM 471 N ASN A 35 8.400 11.725 6.435 1.00 0.00 N ATOM 472 CA ASN A 35 7.825 10.703 7.308 1.00 0.00 C ATOM 473 C ASN A 35 8.759 9.506 7.496 1.00 0.00 C ATOM 474 O ASN A 35 8.299 8.373 7.634 1.00 0.00 O ATOM 475 CB ASN A 35 6.481 10.228 6.749 1.00 0.00 C ATOM 476 CG ASN A 35 5.460 11.348 6.615 1.00 0.00 C ATOM 477 OD1 ASN A 35 4.306 11.106 6.266 1.00 0.00 O ATOM 478 ND2 ASN A 35 5.876 12.581 6.879 1.00 0.00 N ATOM 0 H ASN A 35 8.025 11.730 5.487 1.00 0.00 H new ATOM 0 HA ASN A 35 7.678 11.162 8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.642 9.772 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.077 9.453 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.230 13.366 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.841 12.743 7.166 1.00 0.00 H new ATOM 485 N ASN A 36 10.065 9.766 7.522 1.00 0.00 N ATOM 486 CA ASN A 36 11.063 8.711 7.717 1.00 0.00 C ATOM 487 C ASN A 36 10.777 7.487 6.844 1.00 0.00 C ATOM 488 O ASN A 36 10.980 6.350 7.271 1.00 0.00 O ATOM 489 CB ASN A 36 11.110 8.298 9.191 1.00 0.00 C ATOM 490 CG ASN A 36 11.488 9.440 10.119 1.00 0.00 C ATOM 491 OD1 ASN A 36 11.774 10.609 9.553 1.00 0.00 O flip ATOM 492 ND2 ASN A 36 11.528 9.272 11.338 1.00 0.00 N flip ATOM 0 H ASN A 36 10.459 10.700 7.410 1.00 0.00 H new ATOM 0 HA ASN A 36 12.030 9.115 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.135 7.907 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.828 7.487 9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.302 8.360 11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.787 10.045 11.951 1.00 0.00 H new ATOM 499 N ASN A 37 10.317 7.730 5.622 1.00 0.00 N ATOM 500 CA ASN A 37 10.012 6.655 4.680 1.00 0.00 C ATOM 501 C ASN A 37 8.975 5.679 5.239 1.00 0.00 C ATOM 502 O ASN A 37 9.109 4.464 5.084 1.00 0.00 O ATOM 503 CB ASN A 37 11.290 5.899 4.308 1.00 0.00 C ATOM 504 CG ASN A 37 12.299 6.784 3.601 1.00 0.00 C ATOM 505 OD1 ASN A 37 12.018 7.338 2.539 1.00 0.00 O ATOM 506 ND2 ASN A 37 13.481 6.920 4.190 1.00 0.00 N ATOM 0 H ASN A 37 10.146 8.667 5.257 1.00 0.00 H new ATOM 0 HA ASN A 37 9.587 7.116 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.741 5.487 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.036 5.056 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.200 7.503 3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.670 6.442 5.071 1.00 0.00 H new ATOM 513 N ASP A 38 7.935 6.213 5.875 1.00 0.00 N ATOM 514 CA ASP A 38 6.874 5.378 6.436 1.00 0.00 C ATOM 515 C ASP A 38 5.631 5.400 5.547 1.00 0.00 C ATOM 516 O ASP A 38 5.135 6.467 5.186 1.00 0.00 O ATOM 517 CB ASP A 38 6.515 5.839 7.850 1.00 0.00 C ATOM 518 CG ASP A 38 7.618 5.557 8.853 1.00 0.00 C ATOM 519 OD1 ASP A 38 8.745 6.055 8.655 1.00 0.00 O ATOM 520 OD2 ASP A 38 7.351 4.836 9.837 1.00 0.00 O ATOM 0 H ASP A 38 7.804 7.215 6.015 1.00 0.00 H new ATOM 0 HA ASP A 38 7.246 4.355 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.305 6.909 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.601 5.339 8.170 1.00 0.00 H new ATOM 525 N LEU A 39 5.134 4.216 5.198 1.00 0.00 N ATOM 526 CA LEU A 39 3.950 4.097 4.351 1.00 0.00 C ATOM 527 C LEU A 39 2.666 4.319 5.145 1.00 0.00 C ATOM 528 O LEU A 39 1.793 5.079 4.730 1.00 0.00 O ATOM 529 CB LEU A 39 3.914 2.721 3.682 1.00 0.00 C ATOM 530 CG LEU A 39 4.988 2.493 2.618 1.00 0.00 C ATOM 531 CD1 LEU A 39 4.943 1.060 2.111 1.00 0.00 C ATOM 532 CD2 LEU A 39 4.806 3.471 1.467 1.00 0.00 C ATOM 0 H LEU A 39 5.534 3.324 5.489 1.00 0.00 H new ATOM 0 HA LEU A 39 4.013 4.872 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.018 1.956 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.935 2.581 3.224 1.00 0.00 H new ATOM 0 HG LEU A 39 5.965 2.665 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.715 0.917 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.117 0.375 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.965 0.859 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.577 3.297 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.824 3.325 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.886 4.492 1.841 1.00 0.00 H new ATOM 544 N ASP A 40 2.552 3.640 6.278 1.00 0.00 N ATOM 545 CA ASP A 40 1.365 3.750 7.119 1.00 0.00 C ATOM 546 C ASP A 40 1.161 5.175 7.634 1.00 0.00 C ATOM 547 O ASP A 40 0.029 5.653 7.715 1.00 0.00 O ATOM 548 CB ASP A 40 1.455 2.766 8.287 1.00 0.00 C ATOM 549 CG ASP A 40 2.692 2.976 9.140 1.00 0.00 C ATOM 550 OD1 ASP A 40 2.812 4.052 9.761 1.00 0.00 O ATOM 551 OD2 ASP A 40 3.542 2.062 9.186 1.00 0.00 O ATOM 0 H ASP A 40 3.266 3.007 6.637 1.00 0.00 H new ATOM 0 HA ASP A 40 0.499 3.500 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.567 2.868 8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.456 1.748 7.899 1.00 0.00 H new ATOM 556 N LEU A 41 2.252 5.846 7.991 1.00 0.00 N ATOM 557 CA LEU A 41 2.172 7.210 8.507 1.00 0.00 C ATOM 558 C LEU A 41 1.816 8.196 7.397 1.00 0.00 C ATOM 559 O LEU A 41 0.839 8.940 7.506 1.00 0.00 O ATOM 560 CB LEU A 41 3.504 7.604 9.166 1.00 0.00 C ATOM 561 CG LEU A 41 3.497 8.908 9.983 1.00 0.00 C ATOM 562 CD1 LEU A 41 3.390 10.127 9.079 1.00 0.00 C ATOM 563 CD2 LEU A 41 2.362 8.898 10.997 1.00 0.00 C ATOM 0 H LEU A 41 3.198 5.470 7.933 1.00 0.00 H new ATOM 0 HA LEU A 41 1.381 7.247 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.816 6.791 9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.260 7.693 8.385 1.00 0.00 H new ATOM 0 HG LEU A 41 4.444 8.970 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.388 11.032 9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.240 10.150 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.465 10.074 8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.373 9.828 11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.409 8.803 10.476 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.489 8.056 11.677 1.00 0.00 H new ATOM 575 N THR A 42 2.615 8.202 6.334 1.00 0.00 N ATOM 576 CA THR A 42 2.387 9.106 5.211 1.00 0.00 C ATOM 577 C THR A 42 1.004 8.902 4.610 1.00 0.00 C ATOM 578 O THR A 42 0.192 9.826 4.563 1.00 0.00 O ATOM 579 CB THR A 42 3.441 8.907 4.104 1.00 0.00 C ATOM 580 OG1 THR A 42 4.756 9.079 4.641 1.00 0.00 O ATOM 581 CG2 THR A 42 3.223 9.894 2.966 1.00 0.00 C ATOM 0 H THR A 42 3.425 7.592 6.227 1.00 0.00 H new ATOM 0 HA THR A 42 2.466 10.119 5.606 1.00 0.00 H new ATOM 0 HB THR A 42 3.337 7.894 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.105 8.212 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.978 9.735 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.232 9.743 2.538 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.302 10.912 3.347 1.00 0.00 H new ATOM 589 N ILE A 43 0.746 7.685 4.154 1.00 0.00 N ATOM 590 CA ILE A 43 -0.534 7.352 3.552 1.00 0.00 C ATOM 591 C ILE A 43 -1.675 7.552 4.541 1.00 0.00 C ATOM 592 O ILE A 43 -2.726 8.084 4.184 1.00 0.00 O ATOM 593 CB ILE A 43 -0.549 5.903 3.038 1.00 0.00 C ATOM 594 CG1 ILE A 43 0.564 5.705 2.007 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.905 5.573 2.441 1.00 0.00 C ATOM 596 CD1 ILE A 43 0.662 4.288 1.481 1.00 0.00 C ATOM 0 H ILE A 43 1.409 6.911 4.190 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.675 8.026 2.707 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.371 5.225 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.397 6.383 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.517 5.983 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.903 4.544 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.676 5.689 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.111 6.248 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.473 4.225 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.861 3.606 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.277 4.012 1.001 1.00 0.00 H new ATOM 608 N GLY A 44 -1.461 7.127 5.785 1.00 0.00 N ATOM 609 CA GLY A 44 -2.484 7.278 6.804 1.00 0.00 C ATOM 610 C GLY A 44 -3.004 8.699 6.879 1.00 0.00 C ATOM 611 O GLY A 44 -4.213 8.925 6.934 1.00 0.00 O ATOM 0 H GLY A 44 -0.600 6.682 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.311 6.600 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.076 6.989 7.773 1.00 0.00 H new ATOM 615 N LEU A 45 -2.085 9.658 6.864 1.00 0.00 N ATOM 616 CA LEU A 45 -2.450 11.068 6.914 1.00 0.00 C ATOM 617 C LEU A 45 -3.154 11.471 5.619 1.00 0.00 C ATOM 618 O LEU A 45 -4.131 12.219 5.635 1.00 0.00 O ATOM 619 CB LEU A 45 -1.195 11.924 7.142 1.00 0.00 C ATOM 620 CG LEU A 45 -1.436 13.414 7.416 1.00 0.00 C ATOM 621 CD1 LEU A 45 -0.189 14.046 8.014 1.00 0.00 C ATOM 622 CD2 LEU A 45 -1.826 14.148 6.140 1.00 0.00 C ATOM 0 H LEU A 45 -1.081 9.484 6.818 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.137 11.234 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.642 11.505 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.555 11.836 6.264 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.258 13.498 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.372 15.104 8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.059 13.547 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.642 13.942 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.991 15.202 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.025 14.053 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.741 13.715 5.736 1.00 0.00 H new ATOM 634 N LEU A 46 -2.641 10.967 4.500 1.00 0.00 N ATOM 635 CA LEU A 46 -3.203 11.264 3.184 1.00 0.00 C ATOM 636 C LEU A 46 -4.653 10.793 3.068 1.00 0.00 C ATOM 637 O LEU A 46 -5.440 11.368 2.318 1.00 0.00 O ATOM 638 CB LEU A 46 -2.351 10.620 2.087 1.00 0.00 C ATOM 639 CG LEU A 46 -0.896 11.095 2.029 1.00 0.00 C ATOM 640 CD1 LEU A 46 -0.131 10.352 0.947 1.00 0.00 C ATOM 641 CD2 LEU A 46 -0.832 12.596 1.785 1.00 0.00 C ATOM 0 H LEU A 46 -1.832 10.347 4.478 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.195 12.347 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.358 9.540 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.819 10.817 1.123 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.430 10.880 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.900 10.705 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.144 9.283 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.599 10.534 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.210 12.914 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.318 12.832 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.342 13.118 2.595 1.00 0.00 H new ATOM 653 N LEU A 47 -5.004 9.740 3.799 1.00 0.00 N ATOM 654 CA LEU A 47 -6.363 9.206 3.754 1.00 0.00 C ATOM 655 C LEU A 47 -7.376 10.225 4.271 1.00 0.00 C ATOM 656 O LEU A 47 -8.423 10.439 3.659 1.00 0.00 O ATOM 657 CB LEU A 47 -6.469 7.923 4.578 1.00 0.00 C ATOM 658 CG LEU A 47 -5.512 6.802 4.167 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.740 5.564 5.020 1.00 0.00 C ATOM 660 CD2 LEU A 47 -5.676 6.472 2.691 1.00 0.00 C ATOM 0 H LEU A 47 -4.372 9.242 4.426 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.590 8.984 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.289 8.167 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.491 7.550 4.509 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.491 7.147 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.050 4.778 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.568 5.808 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.765 5.217 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.987 5.673 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.700 6.149 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.459 7.358 2.094 1.00 0.00 H new ATOM 672 N LYS A 48 -7.066 10.838 5.413 1.00 0.00 N ATOM 673 CA LYS A 48 -7.958 11.821 6.027 1.00 0.00 C ATOM 674 C LYS A 48 -7.896 13.180 5.327 1.00 0.00 C ATOM 675 O LYS A 48 -8.117 14.216 5.955 1.00 0.00 O ATOM 676 CB LYS A 48 -7.614 11.987 7.509 1.00 0.00 C ATOM 677 CG LYS A 48 -7.746 10.702 8.312 1.00 0.00 C ATOM 678 CD LYS A 48 -7.424 10.918 9.785 1.00 0.00 C ATOM 679 CE LYS A 48 -8.434 11.836 10.456 1.00 0.00 C ATOM 680 NZ LYS A 48 -9.819 11.295 10.376 1.00 0.00 N ATOM 0 H LYS A 48 -6.204 10.671 5.932 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.975 11.444 5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.593 12.357 7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.266 12.745 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.761 10.316 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.077 9.946 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.410 9.957 10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.426 11.345 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.159 11.975 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.401 12.818 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.429 11.802 11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.186 11.422 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.810 10.282 10.613 1.00 0.00 H new ATOM 694 N GLU A 49 -7.616 13.177 4.026 1.00 0.00 N ATOM 695 CA GLU A 49 -7.556 14.419 3.261 1.00 0.00 C ATOM 696 C GLU A 49 -8.937 14.792 2.736 1.00 0.00 C ATOM 697 O GLU A 49 -9.341 15.953 2.790 1.00 0.00 O ATOM 698 CB GLU A 49 -6.564 14.301 2.101 1.00 0.00 C ATOM 699 CG GLU A 49 -5.111 14.218 2.544 1.00 0.00 C ATOM 700 CD GLU A 49 -4.630 15.478 3.240 1.00 0.00 C ATOM 701 OE1 GLU A 49 -5.419 16.442 3.345 1.00 0.00 O ATOM 702 OE2 GLU A 49 -3.459 15.504 3.675 1.00 0.00 O ATOM 0 H GLU A 49 -7.428 12.334 3.483 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.210 15.208 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.807 13.414 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.685 15.161 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.990 13.369 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.482 14.027 1.674 1.00 0.00 H new ATOM 782 N MET B 1 -17.704 -10.704 -10.927 1.00 0.00 N ATOM 783 CA MET B 1 -16.941 -9.473 -10.590 1.00 0.00 C ATOM 784 C MET B 1 -15.873 -9.771 -9.542 1.00 0.00 C ATOM 785 O MET B 1 -16.143 -10.420 -8.531 1.00 0.00 O ATOM 786 CB MET B 1 -17.932 -8.420 -10.085 1.00 0.00 C ATOM 787 CG MET B 1 -17.326 -7.042 -9.847 1.00 0.00 C ATOM 788 SD MET B 1 -16.432 -6.914 -8.288 1.00 0.00 S ATOM 789 CE MET B 1 -16.163 -5.145 -8.213 1.00 0.00 C ATOM 0 H1 MET B 1 -18.426 -10.480 -11.642 1.00 0.00 H new ATOM 0 H2 MET B 1 -17.054 -11.423 -11.305 1.00 0.00 H new ATOM 0 H3 MET B 1 -18.167 -11.071 -10.071 1.00 0.00 H new ATOM 0 HA MET B 1 -16.426 -9.097 -11.474 1.00 0.00 H new ATOM 0 HB2 MET B 1 -18.742 -8.326 -10.808 1.00 0.00 H new ATOM 0 HB3 MET B 1 -18.375 -8.774 -9.154 1.00 0.00 H new ATOM 0 HG2 MET B 1 -16.648 -6.805 -10.667 1.00 0.00 H new ATOM 0 HG3 MET B 1 -18.120 -6.296 -9.864 1.00 0.00 H new ATOM 0 HE1 MET B 1 -16.357 -4.790 -7.201 1.00 0.00 H new ATOM 0 HE2 MET B 1 -15.131 -4.922 -8.484 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.837 -4.645 -8.908 1.00 0.00 H new ATOM 801 N GLN B 2 -14.660 -9.299 -9.795 1.00 0.00 N ATOM 802 CA GLN B 2 -13.548 -9.521 -8.881 1.00 0.00 C ATOM 803 C GLN B 2 -12.901 -8.200 -8.489 1.00 0.00 C ATOM 804 O GLN B 2 -13.149 -7.169 -9.110 1.00 0.00 O ATOM 805 CB GLN B 2 -12.504 -10.433 -9.524 1.00 0.00 C ATOM 806 CG GLN B 2 -13.057 -11.783 -9.953 1.00 0.00 C ATOM 807 CD GLN B 2 -12.017 -12.677 -10.609 1.00 0.00 C ATOM 808 OE1 GLN B 2 -10.790 -12.180 -10.740 1.00 0.00 O flip ATOM 809 NE2 GLN B 2 -12.314 -13.807 -10.996 1.00 0.00 N flip ATOM 0 H GLN B 2 -14.421 -8.759 -10.627 1.00 0.00 H new ATOM 0 HA GLN B 2 -13.939 -10.001 -7.984 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.081 -9.930 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.688 -10.591 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.467 -12.293 -9.082 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -13.882 -11.626 -10.648 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -13.266 -14.153 -10.878 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -11.608 -14.398 -11.435 1.00 0.00 H new ATOM 818 N ILE B 3 -12.067 -8.243 -7.458 1.00 0.00 N ATOM 819 CA ILE B 3 -11.379 -7.050 -6.986 1.00 0.00 C ATOM 820 C ILE B 3 -9.961 -7.380 -6.532 1.00 0.00 C ATOM 821 O ILE B 3 -9.736 -8.345 -5.796 1.00 0.00 O ATOM 822 CB ILE B 3 -12.149 -6.367 -5.837 1.00 0.00 C ATOM 823 CG1 ILE B 3 -12.453 -7.368 -4.717 1.00 0.00 C ATOM 824 CG2 ILE B 3 -13.436 -5.754 -6.371 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.716 -6.716 -3.377 1.00 0.00 C ATOM 0 H ILE B 3 -11.851 -9.091 -6.933 1.00 0.00 H new ATOM 0 HA ILE B 3 -11.330 -6.357 -7.826 1.00 0.00 H new ATOM 0 HB ILE B 3 -11.527 -5.575 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -13.322 -7.963 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -11.613 -8.056 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -13.976 -5.273 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -13.197 -5.014 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -14.058 -6.536 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -12.924 -7.485 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -11.840 -6.144 -3.073 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -13.574 -6.049 -3.459 1.00 0.00 H new ATOM 837 N PHE B 4 -9.004 -6.578 -6.994 1.00 0.00 N ATOM 838 CA PHE B 4 -7.596 -6.776 -6.659 1.00 0.00 C ATOM 839 C PHE B 4 -7.252 -6.185 -5.296 1.00 0.00 C ATOM 840 O PHE B 4 -7.864 -5.212 -4.855 1.00 0.00 O ATOM 841 CB PHE B 4 -6.699 -6.167 -7.741 1.00 0.00 C ATOM 842 CG PHE B 4 -6.750 -6.899 -9.058 1.00 0.00 C ATOM 843 CD1 PHE B 4 -7.961 -7.185 -9.669 1.00 0.00 C ATOM 844 CD2 PHE B 4 -5.579 -7.303 -9.682 1.00 0.00 C ATOM 845 CE1 PHE B 4 -8.005 -7.859 -10.875 1.00 0.00 C ATOM 846 CE2 PHE B 4 -5.616 -7.976 -10.888 1.00 0.00 C ATOM 847 CZ PHE B 4 -6.830 -8.255 -11.484 1.00 0.00 C ATOM 0 H PHE B 4 -9.180 -5.780 -7.605 1.00 0.00 H new ATOM 0 HA PHE B 4 -7.418 -7.850 -6.610 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -6.992 -5.130 -7.901 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -5.670 -6.155 -7.382 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.882 -6.877 -9.197 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.627 -7.089 -9.220 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.955 -8.075 -11.340 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -4.697 -8.283 -11.364 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.861 -8.783 -12.426 1.00 0.00 H new ATOM 857 N VAL B 5 -6.266 -6.786 -4.636 1.00 0.00 N ATOM 858 CA VAL B 5 -5.824 -6.334 -3.321 1.00 0.00 C ATOM 859 C VAL B 5 -4.299 -6.342 -3.237 1.00 0.00 C ATOM 860 O VAL B 5 -3.700 -7.263 -2.680 1.00 0.00 O ATOM 861 CB VAL B 5 -6.401 -7.221 -2.197 1.00 0.00 C ATOM 862 CG1 VAL B 5 -6.003 -6.684 -0.830 1.00 0.00 C ATOM 863 CG2 VAL B 5 -7.913 -7.321 -2.317 1.00 0.00 C ATOM 0 H VAL B 5 -5.755 -7.593 -4.994 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.192 -5.317 -3.186 1.00 0.00 H new ATOM 0 HB VAL B 5 -5.983 -8.222 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.420 -7.324 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -4.916 -6.672 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.387 -5.671 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.301 -7.950 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.351 -6.326 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.173 -7.759 -3.281 1.00 0.00 H new ATOM 873 N LYS B 6 -3.677 -5.315 -3.810 1.00 0.00 N ATOM 874 CA LYS B 6 -2.221 -5.204 -3.814 1.00 0.00 C ATOM 875 C LYS B 6 -1.694 -4.667 -2.487 1.00 0.00 C ATOM 876 O LYS B 6 -1.971 -3.529 -2.113 1.00 0.00 O ATOM 877 CB LYS B 6 -1.767 -4.291 -4.954 1.00 0.00 C ATOM 878 CG LYS B 6 -0.269 -4.027 -4.963 1.00 0.00 C ATOM 879 CD LYS B 6 0.114 -3.040 -6.052 1.00 0.00 C ATOM 880 CE LYS B 6 1.592 -2.687 -5.989 1.00 0.00 C ATOM 881 NZ LYS B 6 1.977 -1.715 -7.048 1.00 0.00 N ATOM 0 H LYS B 6 -4.159 -4.547 -4.278 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.814 -6.205 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.054 -4.741 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.295 -3.340 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.039 -3.638 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.266 -4.964 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.118 -3.465 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.482 -2.133 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.823 -2.267 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.187 -3.594 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.992 -1.501 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.780 -2.125 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.428 -0.839 -6.931 1.00 0.00 H new ATOM 895 N THR B 7 -0.911 -5.485 -1.791 1.00 0.00 N ATOM 896 CA THR B 7 -0.325 -5.084 -0.518 1.00 0.00 C ATOM 897 C THR B 7 0.910 -4.214 -0.745 1.00 0.00 C ATOM 898 O THR B 7 1.677 -4.446 -1.681 1.00 0.00 O ATOM 899 CB THR B 7 0.050 -6.305 0.344 1.00 0.00 C ATOM 900 OG1 THR B 7 0.813 -5.889 1.484 1.00 0.00 O ATOM 901 CG2 THR B 7 0.838 -7.323 -0.463 1.00 0.00 C ATOM 0 H THR B 7 -0.668 -6.430 -2.088 1.00 0.00 H new ATOM 0 HA THR B 7 -1.078 -4.507 0.018 1.00 0.00 H new ATOM 0 HB THR B 7 -0.873 -6.777 0.681 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.747 -6.162 1.370 1.00 0.00 H new ATOM 0 HG21 THR B 7 1.089 -8.174 0.170 1.00 0.00 H new ATOM 0 HG22 THR B 7 0.237 -7.663 -1.306 1.00 0.00 H new ATOM 0 HG23 THR B 7 1.754 -6.863 -0.833 1.00 0.00 H new ATOM 909 N LEU B 8 1.082 -3.201 0.102 1.00 0.00 N ATOM 910 CA LEU B 8 2.211 -2.279 -0.016 1.00 0.00 C ATOM 911 C LEU B 8 3.537 -3.023 -0.157 1.00 0.00 C ATOM 912 O LEU B 8 4.444 -2.559 -0.850 1.00 0.00 O ATOM 913 CB LEU B 8 2.281 -1.348 1.200 1.00 0.00 C ATOM 914 CG LEU B 8 0.994 -0.592 1.539 1.00 0.00 C ATOM 915 CD1 LEU B 8 1.250 0.399 2.666 1.00 0.00 C ATOM 916 CD2 LEU B 8 0.434 0.121 0.316 1.00 0.00 C ATOM 0 H LEU B 8 0.453 -2.997 0.879 1.00 0.00 H new ATOM 0 HA LEU B 8 2.047 -1.690 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU B 8 2.572 -1.938 2.069 1.00 0.00 H new ATOM 0 HB3 LEU B 8 3.073 -0.619 1.030 1.00 0.00 H new ATOM 0 HG LEU B 8 0.250 -1.317 1.869 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.328 0.931 2.899 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.593 -0.137 3.551 1.00 0.00 H new ATOM 0 HD13 LEU B 8 2.013 1.113 2.356 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -0.480 0.649 0.589 1.00 0.00 H new ATOM 0 HD22 LEU B 8 1.168 0.835 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU B 8 0.212 -0.610 -0.462 1.00 0.00 H new ATOM 928 N THR B 9 3.651 -4.166 0.514 1.00 0.00 N ATOM 929 CA THR B 9 4.877 -4.959 0.471 1.00 0.00 C ATOM 930 C THR B 9 5.325 -5.221 -0.964 1.00 0.00 C ATOM 931 O THR B 9 6.459 -4.912 -1.332 1.00 0.00 O ATOM 932 CB THR B 9 4.703 -6.305 1.197 1.00 0.00 C ATOM 933 OG1 THR B 9 3.677 -7.078 0.564 1.00 0.00 O ATOM 934 CG2 THR B 9 4.348 -6.087 2.660 1.00 0.00 C ATOM 0 H THR B 9 2.911 -4.564 1.093 1.00 0.00 H new ATOM 0 HA THR B 9 5.642 -4.374 0.981 1.00 0.00 H new ATOM 0 HB THR B 9 5.648 -6.845 1.143 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.575 -7.933 1.032 1.00 0.00 H new ATOM 0 HG21 THR B 9 4.230 -7.052 3.153 1.00 0.00 H new ATOM 0 HG22 THR B 9 5.144 -5.525 3.148 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.415 -5.528 2.729 1.00 0.00 H new ATOM 942 N GLY B 10 4.434 -5.789 -1.772 1.00 0.00 N ATOM 943 CA GLY B 10 4.772 -6.072 -3.156 1.00 0.00 C ATOM 944 C GLY B 10 4.142 -7.352 -3.669 1.00 0.00 C ATOM 945 O GLY B 10 4.840 -8.234 -4.171 1.00 0.00 O ATOM 0 H GLY B 10 3.490 -6.057 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY B 10 4.450 -5.239 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY B 10 5.855 -6.142 -3.253 1.00 0.00 H new ATOM 949 N LYS B 11 2.822 -7.462 -3.546 1.00 0.00 N ATOM 950 CA LYS B 11 2.114 -8.651 -4.007 1.00 0.00 C ATOM 951 C LYS B 11 0.623 -8.367 -4.164 1.00 0.00 C ATOM 952 O LYS B 11 -0.062 -8.035 -3.196 1.00 0.00 O ATOM 953 CB LYS B 11 2.335 -9.801 -3.014 1.00 0.00 C ATOM 954 CG LYS B 11 1.937 -11.178 -3.539 1.00 0.00 C ATOM 955 CD LYS B 11 0.428 -11.352 -3.604 1.00 0.00 C ATOM 956 CE LYS B 11 0.046 -12.748 -4.073 1.00 0.00 C ATOM 957 NZ LYS B 11 0.558 -13.036 -5.440 1.00 0.00 N ATOM 0 H LYS B 11 2.224 -6.746 -3.133 1.00 0.00 H new ATOM 0 HA LYS B 11 2.508 -8.937 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS B 11 3.388 -9.824 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS B 11 1.767 -9.594 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS B 11 2.361 -11.323 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.363 -11.948 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -0.003 -11.167 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS B 11 0.004 -10.611 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.441 -13.486 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -1.039 -12.849 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.138 -13.921 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 0.301 -12.256 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.593 -13.132 -5.410 1.00 0.00 H new ATOM 971 N THR B 12 0.126 -8.505 -5.389 1.00 0.00 N ATOM 972 CA THR B 12 -1.285 -8.271 -5.673 1.00 0.00 C ATOM 973 C THR B 12 -2.103 -9.530 -5.411 1.00 0.00 C ATOM 974 O THR B 12 -1.716 -10.624 -5.821 1.00 0.00 O ATOM 975 CB THR B 12 -1.503 -7.827 -7.132 1.00 0.00 C ATOM 976 OG1 THR B 12 -0.706 -6.671 -7.417 1.00 0.00 O ATOM 977 CG2 THR B 12 -2.968 -7.508 -7.387 1.00 0.00 C ATOM 0 H THR B 12 0.680 -8.778 -6.201 1.00 0.00 H new ATOM 0 HA THR B 12 -1.616 -7.472 -5.009 1.00 0.00 H new ATOM 0 HB THR B 12 -1.204 -8.647 -7.785 1.00 0.00 H new ATOM 0 HG1 THR B 12 -0.849 -6.396 -8.347 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.098 -7.197 -8.424 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.572 -8.395 -7.196 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.286 -6.703 -6.724 1.00 0.00 H new ATOM 985 N ILE B 13 -3.234 -9.375 -4.729 1.00 0.00 N ATOM 986 CA ILE B 13 -4.090 -10.513 -4.423 1.00 0.00 C ATOM 987 C ILE B 13 -5.511 -10.294 -4.930 1.00 0.00 C ATOM 988 O ILE B 13 -6.253 -9.474 -4.393 1.00 0.00 O ATOM 989 CB ILE B 13 -4.141 -10.784 -2.908 1.00 0.00 C ATOM 990 CG1 ILE B 13 -2.727 -10.983 -2.359 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.006 -12.005 -2.621 1.00 0.00 C ATOM 992 CD1 ILE B 13 -2.673 -11.144 -0.854 1.00 0.00 C ATOM 0 H ILE B 13 -3.576 -8.479 -4.381 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.656 -11.374 -4.930 1.00 0.00 H new ATOM 0 HB ILE B 13 -4.585 -9.922 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.287 -11.864 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.112 -10.130 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.034 -12.186 -1.547 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.018 -11.828 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -4.586 -12.875 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -1.638 -11.281 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.082 -10.253 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.259 -12.014 -0.560 1.00 0.00 H new ATOM 1004 N THR B 14 -5.885 -11.047 -5.960 1.00 0.00 N ATOM 1005 CA THR B 14 -7.221 -10.949 -6.531 1.00 0.00 C ATOM 1006 C THR B 14 -8.210 -11.788 -5.731 1.00 0.00 C ATOM 1007 O THR B 14 -7.849 -12.837 -5.194 1.00 0.00 O ATOM 1008 CB THR B 14 -7.248 -11.405 -7.999 1.00 0.00 C ATOM 1009 OG1 THR B 14 -6.340 -10.615 -8.777 1.00 0.00 O ATOM 1010 CG2 THR B 14 -8.652 -11.279 -8.565 1.00 0.00 C ATOM 0 H THR B 14 -5.281 -11.731 -6.415 1.00 0.00 H new ATOM 0 HA THR B 14 -7.509 -9.899 -6.488 1.00 0.00 H new ATOM 0 HB THR B 14 -6.941 -12.450 -8.043 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.363 -10.914 -9.710 1.00 0.00 H new ATOM 0 HG21 THR B 14 -8.656 -11.605 -9.605 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.335 -11.902 -7.987 1.00 0.00 H new ATOM 0 HG23 THR B 14 -8.975 -10.239 -8.510 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.450 -11.317 -5.635 1.00 0.00 N ATOM 1019 CA LEU B 15 -10.473 -12.028 -4.875 1.00 0.00 C ATOM 1020 C LEU B 15 -11.853 -11.865 -5.502 1.00 0.00 C ATOM 1021 O LEU B 15 -12.191 -10.800 -6.017 1.00 0.00 O ATOM 1022 CB LEU B 15 -10.497 -11.492 -3.447 1.00 0.00 C ATOM 1023 CG LEU B 15 -9.163 -11.570 -2.709 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -9.133 -10.564 -1.578 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -8.920 -12.976 -2.184 1.00 0.00 C ATOM 0 H LEU B 15 -9.769 -10.452 -6.071 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.226 -13.090 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.823 -10.452 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.243 -12.047 -2.878 1.00 0.00 H new ATOM 0 HG LEU B 15 -8.364 -11.329 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.177 -10.629 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.260 -9.559 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.941 -10.779 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.964 -13.009 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.719 -13.251 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.902 -13.678 -3.018 1.00 0.00 H new ATOM 1037 N GLU B 16 -12.655 -12.926 -5.436 1.00 0.00 N ATOM 1038 CA GLU B 16 -14.009 -12.892 -5.978 1.00 0.00 C ATOM 1039 C GLU B 16 -14.902 -12.080 -5.052 1.00 0.00 C ATOM 1040 O GLU B 16 -14.970 -12.352 -3.852 1.00 0.00 O ATOM 1041 CB GLU B 16 -14.556 -14.315 -6.130 1.00 0.00 C ATOM 1042 CG GLU B 16 -15.967 -14.379 -6.695 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.060 -13.835 -8.107 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -15.335 -14.343 -8.987 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -16.867 -12.909 -8.333 1.00 0.00 O ATOM 0 H GLU B 16 -12.391 -13.816 -5.014 1.00 0.00 H new ATOM 0 HA GLU B 16 -13.991 -12.425 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.889 -14.882 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.543 -14.804 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -16.311 -15.413 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -16.638 -13.814 -6.048 1.00 0.00 H new ATOM 1052 N VAL B 17 -15.564 -11.068 -5.602 1.00 0.00 N ATOM 1053 CA VAL B 17 -16.424 -10.201 -4.803 1.00 0.00 C ATOM 1054 C VAL B 17 -17.577 -9.633 -5.624 1.00 0.00 C ATOM 1055 O VAL B 17 -17.383 -9.133 -6.729 1.00 0.00 O ATOM 1056 CB VAL B 17 -15.601 -9.039 -4.201 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -16.497 -7.923 -3.693 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -14.703 -9.544 -3.082 1.00 0.00 C ATOM 0 H VAL B 17 -15.523 -10.828 -6.593 1.00 0.00 H new ATOM 0 HA VAL B 17 -16.844 -10.810 -4.003 1.00 0.00 H new ATOM 0 HB VAL B 17 -14.979 -8.631 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -15.883 -7.124 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -17.093 -7.531 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -17.159 -8.312 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -14.132 -8.712 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -15.315 -9.988 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -14.018 -10.295 -3.476 1.00 0.00 H new ATOM 1068 N GLU B 18 -18.779 -9.712 -5.066 1.00 0.00 N ATOM 1069 CA GLU B 18 -19.971 -9.207 -5.730 1.00 0.00 C ATOM 1070 C GLU B 18 -19.923 -7.694 -5.872 1.00 0.00 C ATOM 1071 O GLU B 18 -19.470 -6.990 -4.970 1.00 0.00 O ATOM 1072 CB GLU B 18 -21.217 -9.603 -4.941 1.00 0.00 C ATOM 1073 CG GLU B 18 -21.394 -11.101 -4.826 1.00 0.00 C ATOM 1074 CD GLU B 18 -22.681 -11.490 -4.127 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -23.764 -11.110 -4.622 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -22.608 -12.176 -3.086 1.00 0.00 O ATOM 0 H GLU B 18 -18.953 -10.124 -4.149 1.00 0.00 H new ATOM 0 HA GLU B 18 -20.011 -9.647 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -21.159 -9.172 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -22.096 -9.175 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -21.380 -11.541 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -20.549 -11.521 -4.281 1.00 0.00 H new ATOM 1083 N SER B 19 -20.405 -7.197 -7.003 1.00 0.00 N ATOM 1084 CA SER B 19 -20.431 -5.765 -7.245 1.00 0.00 C ATOM 1085 C SER B 19 -21.268 -5.078 -6.174 1.00 0.00 C ATOM 1086 O SER B 19 -21.012 -3.930 -5.811 1.00 0.00 O ATOM 1087 CB SER B 19 -20.998 -5.463 -8.632 1.00 0.00 C ATOM 1088 OG SER B 19 -20.261 -6.131 -9.640 1.00 0.00 O ATOM 0 H SER B 19 -20.781 -7.763 -7.763 1.00 0.00 H new ATOM 0 HA SER B 19 -19.411 -5.384 -7.203 1.00 0.00 H new ATOM 0 HB2 SER B 19 -22.043 -5.771 -8.676 1.00 0.00 H new ATOM 0 HB3 SER B 19 -20.975 -4.388 -8.812 1.00 0.00 H new ATOM 0 HG SER B 19 -20.644 -5.923 -10.518 1.00 0.00 H new ATOM 1094 N SER B 20 -22.267 -5.799 -5.665 1.00 0.00 N ATOM 1095 CA SER B 20 -23.140 -5.266 -4.625 1.00 0.00 C ATOM 1096 C SER B 20 -22.759 -5.829 -3.258 1.00 0.00 C ATOM 1097 O SER B 20 -23.610 -5.998 -2.385 1.00 0.00 O ATOM 1098 CB SER B 20 -24.602 -5.592 -4.935 1.00 0.00 C ATOM 1099 OG SER B 20 -25.008 -5.011 -6.161 1.00 0.00 O ATOM 0 H SER B 20 -22.490 -6.751 -5.956 1.00 0.00 H new ATOM 0 HA SER B 20 -23.017 -4.183 -4.602 1.00 0.00 H new ATOM 0 HB2 SER B 20 -24.734 -6.673 -4.980 1.00 0.00 H new ATOM 0 HB3 SER B 20 -25.238 -5.227 -4.128 1.00 0.00 H new ATOM 0 HG SER B 20 -25.946 -5.237 -6.335 1.00 0.00 H new ATOM 1105 N ASP B 21 -21.472 -6.116 -3.080 1.00 0.00 N ATOM 1106 CA ASP B 21 -20.974 -6.658 -1.820 1.00 0.00 C ATOM 1107 C ASP B 21 -20.811 -5.541 -0.784 1.00 0.00 C ATOM 1108 O ASP B 21 -21.737 -4.763 -0.556 1.00 0.00 O ATOM 1109 CB ASP B 21 -19.647 -7.392 -2.053 1.00 0.00 C ATOM 1110 CG ASP B 21 -19.197 -8.186 -0.842 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -19.951 -9.078 -0.401 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -18.085 -7.916 -0.338 1.00 0.00 O ATOM 0 H ASP B 21 -20.755 -5.982 -3.793 1.00 0.00 H new ATOM 0 HA ASP B 21 -21.698 -7.373 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -19.753 -8.064 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -18.876 -6.667 -2.314 1.00 0.00 H new ATOM 1117 N THR B 22 -19.634 -5.463 -0.163 1.00 0.00 N ATOM 1118 CA THR B 22 -19.357 -4.442 0.842 1.00 0.00 C ATOM 1119 C THR B 22 -17.902 -4.511 1.295 1.00 0.00 C ATOM 1120 O THR B 22 -17.344 -5.597 1.451 1.00 0.00 O ATOM 1121 CB THR B 22 -20.277 -4.586 2.070 1.00 0.00 C ATOM 1122 OG1 THR B 22 -19.947 -3.593 3.049 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.150 -5.972 2.686 1.00 0.00 C ATOM 0 H THR B 22 -18.856 -6.098 -0.341 1.00 0.00 H new ATOM 0 HA THR B 22 -19.549 -3.476 0.375 1.00 0.00 H new ATOM 0 HB THR B 22 -21.307 -4.446 1.741 1.00 0.00 H new ATOM 0 HG1 THR B 22 -20.537 -3.690 3.825 1.00 0.00 H new ATOM 0 HG21 THR B 22 -20.809 -6.048 3.551 1.00 0.00 H new ATOM 0 HG22 THR B 22 -20.430 -6.725 1.949 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.119 -6.138 3.000 1.00 0.00 H new ATOM 1131 N ILE B 23 -17.292 -3.346 1.495 1.00 0.00 N ATOM 1132 CA ILE B 23 -15.899 -3.275 1.924 1.00 0.00 C ATOM 1133 C ILE B 23 -15.665 -4.137 3.162 1.00 0.00 C ATOM 1134 O ILE B 23 -14.622 -4.777 3.298 1.00 0.00 O ATOM 1135 CB ILE B 23 -15.479 -1.823 2.237 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -15.864 -0.887 1.084 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -13.983 -1.752 2.510 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -15.208 -1.227 -0.240 1.00 0.00 C ATOM 0 H ILE B 23 -17.740 -2.439 1.367 1.00 0.00 H new ATOM 0 HA ILE B 23 -15.293 -3.650 1.099 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.009 -1.495 3.131 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -16.946 -0.912 0.957 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -15.598 0.134 1.356 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -13.702 -0.722 2.729 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -13.738 -2.384 3.363 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -13.436 -2.099 1.633 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -15.534 -0.517 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -14.125 -1.173 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -15.493 -2.236 -0.539 1.00 0.00 H new ATOM 1150 N ASP B 24 -16.646 -4.146 4.061 1.00 0.00 N ATOM 1151 CA ASP B 24 -16.553 -4.927 5.291 1.00 0.00 C ATOM 1152 C ASP B 24 -16.340 -6.407 4.983 1.00 0.00 C ATOM 1153 O ASP B 24 -15.475 -7.053 5.575 1.00 0.00 O ATOM 1154 CB ASP B 24 -17.823 -4.747 6.127 1.00 0.00 C ATOM 1155 CG ASP B 24 -17.763 -5.488 7.451 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -17.649 -6.732 7.433 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -17.831 -4.822 8.506 1.00 0.00 O ATOM 0 H ASP B 24 -17.515 -3.621 3.960 1.00 0.00 H new ATOM 0 HA ASP B 24 -15.695 -4.566 5.858 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -17.981 -3.685 6.316 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -18.682 -5.100 5.556 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.135 -6.936 4.057 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.033 -8.341 3.673 1.00 0.00 C ATOM 1164 C ASN B 25 -15.644 -8.652 3.127 1.00 0.00 C ATOM 1165 O ASN B 25 -15.059 -9.687 3.445 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.093 -8.687 2.626 1.00 0.00 C ATOM 1167 CG ASN B 25 -18.094 -10.161 2.269 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -18.311 -11.020 3.123 1.00 0.00 O ATOM 1169 ND2 ASN B 25 -17.847 -10.462 0.999 1.00 0.00 N ATOM 0 H ASN B 25 -17.856 -6.414 3.559 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.202 -8.948 4.562 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -19.077 -8.407 3.003 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -17.916 -8.098 1.726 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -17.832 -11.437 0.700 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -17.672 -9.718 0.323 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.122 -7.748 2.302 1.00 0.00 N ATOM 1177 CA VAL B 26 -13.801 -7.922 1.711 1.00 0.00 C ATOM 1178 C VAL B 26 -12.736 -8.062 2.793 1.00 0.00 C ATOM 1179 O VAL B 26 -11.901 -8.966 2.742 1.00 0.00 O ATOM 1180 CB VAL B 26 -13.437 -6.740 0.792 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.073 -6.953 0.154 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -14.506 -6.543 -0.271 1.00 0.00 C ATOM 0 H VAL B 26 -15.595 -6.887 2.028 1.00 0.00 H new ATOM 0 HA VAL B 26 -13.834 -8.834 1.115 1.00 0.00 H new ATOM 0 HB VAL B 26 -13.388 -5.836 1.399 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -11.837 -6.106 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -11.316 -7.038 0.934 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -12.087 -7.868 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -14.232 -5.704 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -14.590 -7.447 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -15.463 -6.336 0.209 1.00 0.00 H new ATOM 1192 N LYS B 27 -12.778 -7.168 3.777 1.00 0.00 N ATOM 1193 CA LYS B 27 -11.821 -7.199 4.876 1.00 0.00 C ATOM 1194 C LYS B 27 -11.935 -8.511 5.644 1.00 0.00 C ATOM 1195 O LYS B 27 -10.928 -9.107 6.027 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.049 -6.016 5.819 1.00 0.00 C ATOM 1197 CG LYS B 27 -11.882 -4.664 5.144 1.00 0.00 C ATOM 1198 CD LYS B 27 -12.101 -3.519 6.120 1.00 0.00 C ATOM 1199 CE LYS B 27 -11.916 -2.171 5.443 1.00 0.00 C ATOM 1200 NZ LYS B 27 -12.092 -1.039 6.395 1.00 0.00 N ATOM 0 H LYS B 27 -13.464 -6.415 3.835 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.817 -7.124 4.458 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.053 -6.083 6.238 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.351 -6.086 6.653 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.882 -4.592 4.716 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.589 -4.579 4.319 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.105 -3.583 6.539 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.402 -3.609 6.952 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -10.921 -2.121 5.001 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.633 -2.074 4.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.379 -0.187 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.826 -1.281 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -11.194 -0.857 6.888 1.00 0.00 H new ATOM 1214 N SER B 28 -13.170 -8.956 5.858 1.00 0.00 N ATOM 1215 CA SER B 28 -13.421 -10.201 6.573 1.00 0.00 C ATOM 1216 C SER B 28 -12.739 -11.369 5.870 1.00 0.00 C ATOM 1217 O SER B 28 -12.096 -12.202 6.508 1.00 0.00 O ATOM 1218 CB SER B 28 -14.924 -10.460 6.677 1.00 0.00 C ATOM 1219 OG SER B 28 -15.185 -11.687 7.335 1.00 0.00 O ATOM 0 H SER B 28 -14.012 -8.472 5.546 1.00 0.00 H new ATOM 0 HA SER B 28 -13.008 -10.108 7.577 1.00 0.00 H new ATOM 0 HB2 SER B 28 -15.400 -9.644 7.220 1.00 0.00 H new ATOM 0 HB3 SER B 28 -15.363 -10.478 5.680 1.00 0.00 H new ATOM 0 HG SER B 28 -16.153 -11.829 7.390 1.00 0.00 H new ATOM 1225 N LYS B 29 -12.877 -11.415 4.548 1.00 0.00 N ATOM 1226 CA LYS B 29 -12.266 -12.472 3.751 1.00 0.00 C ATOM 1227 C LYS B 29 -10.749 -12.419 3.875 1.00 0.00 C ATOM 1228 O LYS B 29 -10.091 -13.453 3.977 1.00 0.00 O ATOM 1229 CB LYS B 29 -12.679 -12.341 2.283 1.00 0.00 C ATOM 1230 CG LYS B 29 -14.181 -12.442 2.061 1.00 0.00 C ATOM 1231 CD LYS B 29 -14.552 -12.226 0.601 1.00 0.00 C ATOM 1232 CE LYS B 29 -13.936 -13.285 -0.303 1.00 0.00 C ATOM 1233 NZ LYS B 29 -14.411 -14.653 0.041 1.00 0.00 N ATOM 0 H LYS B 29 -13.407 -10.732 4.007 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.615 -13.433 4.127 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.327 -11.383 1.899 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.181 -13.119 1.704 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.531 -13.422 2.384 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.690 -11.702 2.679 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.637 -12.245 0.495 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.218 -11.238 0.284 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.184 -13.065 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.850 -13.246 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.121 -15.319 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.996 -14.947 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.448 -14.651 0.119 1.00 0.00 H new ATOM 1247 N ILE B 30 -10.199 -11.207 3.872 1.00 0.00 N ATOM 1248 CA ILE B 30 -8.758 -11.025 3.996 1.00 0.00 C ATOM 1249 C ILE B 30 -8.259 -11.609 5.313 1.00 0.00 C ATOM 1250 O ILE B 30 -7.223 -12.272 5.358 1.00 0.00 O ATOM 1251 CB ILE B 30 -8.364 -9.537 3.914 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -8.824 -8.942 2.581 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -6.857 -9.377 4.082 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -8.517 -7.467 2.435 1.00 0.00 C ATOM 0 H ILE B 30 -10.729 -10.340 3.785 1.00 0.00 H new ATOM 0 HA ILE B 30 -8.292 -11.551 3.162 1.00 0.00 H new ATOM 0 HB ILE B 30 -8.858 -8.998 4.723 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.346 -9.486 1.766 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.899 -9.092 2.478 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -6.594 -8.321 4.022 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -6.555 -9.771 5.052 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -6.343 -9.924 3.292 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -8.872 -7.116 1.466 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.017 -6.911 3.228 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.441 -7.311 2.506 1.00 0.00 H new ATOM 1266 N GLN B 31 -9.013 -11.363 6.381 1.00 0.00 N ATOM 1267 CA GLN B 31 -8.661 -11.867 7.702 1.00 0.00 C ATOM 1268 C GLN B 31 -8.646 -13.392 7.704 1.00 0.00 C ATOM 1269 O GLN B 31 -7.676 -14.015 8.128 1.00 0.00 O ATOM 1270 CB GLN B 31 -9.667 -11.365 8.742 1.00 0.00 C ATOM 1271 CG GLN B 31 -9.347 -11.804 10.162 1.00 0.00 C ATOM 1272 CD GLN B 31 -8.133 -11.099 10.730 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -8.122 -9.877 10.872 1.00 0.00 O ATOM 1274 NE2 GLN B 31 -7.103 -11.868 11.062 1.00 0.00 N ATOM 0 H GLN B 31 -9.874 -10.816 6.355 1.00 0.00 H new ATOM 0 HA GLN B 31 -7.666 -11.502 7.955 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -9.700 -10.276 8.706 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -10.661 -11.723 8.476 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -10.208 -11.609 10.801 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -9.177 -12.881 10.176 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -7.156 -12.878 10.927 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -6.259 -11.449 11.452 1.00 0.00 H new ATOM 1283 N ASP B 32 -9.733 -13.982 7.225 1.00 0.00 N ATOM 1284 CA ASP B 32 -9.864 -15.432 7.164 1.00 0.00 C ATOM 1285 C ASP B 32 -8.778 -16.053 6.290 1.00 0.00 C ATOM 1286 O ASP B 32 -8.255 -17.125 6.595 1.00 0.00 O ATOM 1287 CB ASP B 32 -11.244 -15.797 6.616 1.00 0.00 C ATOM 1288 CG ASP B 32 -12.367 -15.382 7.545 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -12.380 -15.845 8.705 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -13.236 -14.595 7.113 1.00 0.00 O ATOM 0 H ASP B 32 -10.543 -13.474 6.870 1.00 0.00 H new ATOM 0 HA ASP B 32 -9.749 -15.828 8.173 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -11.384 -15.319 5.646 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -11.293 -16.873 6.451 1.00 0.00 H new ATOM 1295 N LYS B 33 -8.464 -15.378 5.193 1.00 0.00 N ATOM 1296 CA LYS B 33 -7.459 -15.853 4.247 1.00 0.00 C ATOM 1297 C LYS B 33 -6.035 -15.694 4.785 1.00 0.00 C ATOM 1298 O LYS B 33 -5.402 -16.668 5.193 1.00 0.00 O ATOM 1299 CB LYS B 33 -7.605 -15.090 2.930 1.00 0.00 C ATOM 1300 CG LYS B 33 -6.551 -15.434 1.889 1.00 0.00 C ATOM 1301 CD LYS B 33 -6.663 -14.525 0.675 1.00 0.00 C ATOM 1302 CE LYS B 33 -6.428 -13.068 1.048 1.00 0.00 C ATOM 1303 NZ LYS B 33 -6.614 -12.155 -0.112 1.00 0.00 N ATOM 0 H LYS B 33 -8.895 -14.491 4.933 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.627 -16.918 4.088 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.591 -15.293 2.513 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -7.560 -14.021 3.136 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -5.558 -15.339 2.328 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.665 -16.473 1.581 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -5.937 -14.831 -0.078 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.651 -14.633 0.228 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.114 -12.784 1.846 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.418 -12.953 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.884 -11.415 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -6.533 -12.696 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -7.555 -11.715 -0.060 1.00 0.00 H new ATOM 1317 N GLU B 34 -5.532 -14.463 4.753 1.00 0.00 N ATOM 1318 CA GLU B 34 -4.175 -14.167 5.206 1.00 0.00 C ATOM 1319 C GLU B 34 -4.017 -14.319 6.718 1.00 0.00 C ATOM 1320 O GLU B 34 -2.963 -14.740 7.195 1.00 0.00 O ATOM 1321 CB GLU B 34 -3.779 -12.753 4.777 1.00 0.00 C ATOM 1322 CG GLU B 34 -3.750 -12.563 3.269 1.00 0.00 C ATOM 1323 CD GLU B 34 -3.319 -11.168 2.862 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -2.184 -10.776 3.202 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -4.116 -10.469 2.201 1.00 0.00 O ATOM 0 H GLU B 34 -6.047 -13.650 4.416 1.00 0.00 H new ATOM 0 HA GLU B 34 -3.512 -14.895 4.739 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.480 -12.040 5.212 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -2.795 -12.521 5.184 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -3.070 -13.292 2.828 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -4.741 -12.766 2.863 1.00 0.00 H new ATOM 1332 N GLY B 35 -5.053 -13.963 7.470 1.00 0.00 N ATOM 1333 CA GLY B 35 -4.979 -14.061 8.918 1.00 0.00 C ATOM 1334 C GLY B 35 -4.180 -12.927 9.528 1.00 0.00 C ATOM 1335 O GLY B 35 -3.451 -13.122 10.500 1.00 0.00 O ATOM 0 H GLY B 35 -5.938 -13.610 7.106 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -5.987 -14.057 9.333 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -4.525 -15.013 9.193 1.00 0.00 H new ATOM 1339 N ILE B 36 -4.326 -11.738 8.953 1.00 0.00 N ATOM 1340 CA ILE B 36 -3.623 -10.555 9.437 1.00 0.00 C ATOM 1341 C ILE B 36 -4.472 -9.800 10.456 1.00 0.00 C ATOM 1342 O ILE B 36 -5.659 -9.573 10.228 1.00 0.00 O ATOM 1343 CB ILE B 36 -3.266 -9.604 8.277 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -2.424 -10.339 7.230 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -2.527 -8.379 8.802 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -2.072 -9.492 6.026 1.00 0.00 C ATOM 0 H ILE B 36 -4.928 -11.568 8.147 1.00 0.00 H new ATOM 0 HA ILE B 36 -2.704 -10.898 9.912 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.188 -9.268 7.803 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.504 -10.689 7.698 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.968 -11.222 6.895 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.282 -7.718 7.971 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -3.161 -7.849 9.513 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -1.609 -8.693 9.298 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.475 -10.081 5.329 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -2.987 -9.163 5.533 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.500 -8.622 6.348 1.00 0.00 H new ATOM 1358 N PRO B 37 -3.877 -9.394 11.593 1.00 0.00 N ATOM 1359 CA PRO B 37 -4.594 -8.659 12.638 1.00 0.00 C ATOM 1360 C PRO B 37 -5.351 -7.456 12.080 1.00 0.00 C ATOM 1361 O PRO B 37 -4.801 -6.681 11.297 1.00 0.00 O ATOM 1362 CB PRO B 37 -3.484 -8.183 13.589 1.00 0.00 C ATOM 1363 CG PRO B 37 -2.194 -8.475 12.891 1.00 0.00 C ATOM 1364 CD PRO B 37 -2.472 -9.612 11.954 1.00 0.00 C ATOM 0 HA PRO B 37 -5.345 -9.284 13.121 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.581 -7.118 13.801 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -3.538 -8.705 14.545 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -1.840 -7.600 12.346 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -1.416 -8.742 13.607 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -1.820 -9.586 11.081 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -2.322 -10.579 12.434 1.00 0.00 H new ATOM 1372 N PRO B 38 -6.626 -7.279 12.477 1.00 0.00 N ATOM 1373 CA PRO B 38 -7.443 -6.156 12.010 1.00 0.00 C ATOM 1374 C PRO B 38 -6.780 -4.818 12.303 1.00 0.00 C ATOM 1375 O PRO B 38 -6.796 -3.908 11.473 1.00 0.00 O ATOM 1376 CB PRO B 38 -8.744 -6.295 12.807 1.00 0.00 C ATOM 1377 CG PRO B 38 -8.794 -7.729 13.209 1.00 0.00 C ATOM 1378 CD PRO B 38 -7.365 -8.149 13.410 1.00 0.00 C ATOM 0 HA PRO B 38 -7.594 -6.179 10.931 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.746 -5.640 13.678 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.609 -6.024 12.202 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.372 -7.858 14.124 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -9.275 -8.334 12.440 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.042 -8.001 14.441 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -7.219 -9.204 13.179 1.00 0.00 H new ATOM 1386 N ASP B 39 -6.192 -4.708 13.492 1.00 0.00 N ATOM 1387 CA ASP B 39 -5.513 -3.486 13.903 1.00 0.00 C ATOM 1388 C ASP B 39 -4.126 -3.389 13.272 1.00 0.00 C ATOM 1389 O ASP B 39 -3.193 -2.863 13.879 1.00 0.00 O ATOM 1390 CB ASP B 39 -5.398 -3.434 15.428 1.00 0.00 C ATOM 1391 CG ASP B 39 -4.580 -4.583 15.985 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -4.976 -5.750 15.776 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -3.543 -4.317 16.628 1.00 0.00 O ATOM 0 H ASP B 39 -6.173 -5.454 14.188 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.105 -2.638 13.558 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -4.941 -2.489 15.723 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -6.396 -3.456 15.866 1.00 0.00 H new ATOM 1398 N GLN B 40 -3.995 -3.897 12.048 1.00 0.00 N ATOM 1399 CA GLN B 40 -2.723 -3.863 11.339 1.00 0.00 C ATOM 1400 C GLN B 40 -2.934 -4.070 9.839 1.00 0.00 C ATOM 1401 O GLN B 40 -2.080 -4.630 9.149 1.00 0.00 O ATOM 1402 CB GLN B 40 -1.794 -4.945 11.893 1.00 0.00 C ATOM 1403 CG GLN B 40 -0.353 -4.821 11.421 1.00 0.00 C ATOM 1404 CD GLN B 40 0.535 -5.928 11.952 1.00 0.00 C ATOM 1405 OE1 GLN B 40 0.686 -6.093 13.162 1.00 0.00 O ATOM 1406 NE2 GLN B 40 1.131 -6.694 11.045 1.00 0.00 N ATOM 0 H GLN B 40 -4.755 -4.336 11.529 1.00 0.00 H new ATOM 0 HA GLN B 40 -2.266 -2.885 11.488 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -1.814 -4.905 12.982 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -2.178 -5.923 11.603 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -0.330 -4.834 10.331 1.00 0.00 H new ATOM 0 HG3 GLN B 40 0.047 -3.857 11.737 1.00 0.00 H new ATOM 0 HE21 GLN B 40 0.977 -6.521 10.051 1.00 0.00 H new ATOM 0 HE22 GLN B 40 1.742 -7.455 11.342 1.00 0.00 H new ATOM 1415 N GLN B 41 -4.077 -3.609 9.338 1.00 0.00 N ATOM 1416 CA GLN B 41 -4.402 -3.745 7.923 1.00 0.00 C ATOM 1417 C GLN B 41 -5.583 -2.853 7.552 1.00 0.00 C ATOM 1418 O GLN B 41 -6.540 -2.725 8.316 1.00 0.00 O ATOM 1419 CB GLN B 41 -4.704 -5.211 7.596 1.00 0.00 C ATOM 1420 CG GLN B 41 -5.860 -5.799 8.393 1.00 0.00 C ATOM 1421 CD GLN B 41 -7.218 -5.567 7.750 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -7.224 -5.107 6.502 1.00 0.00 O flip ATOM 1423 NE2 GLN B 41 -8.254 -5.823 8.363 1.00 0.00 N flip ATOM 0 H GLN B 41 -4.793 -3.138 9.892 1.00 0.00 H new ATOM 0 HA GLN B 41 -3.543 -3.425 7.333 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -4.929 -5.296 6.533 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -3.809 -5.805 7.781 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -5.701 -6.871 8.512 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -5.861 -5.364 9.392 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.207 -6.174 9.319 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.160 -5.684 7.915 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.503 -2.227 6.379 1.00 0.00 N ATOM 1433 CA ARG B 42 -6.556 -1.338 5.916 1.00 0.00 C ATOM 1434 C ARG B 42 -6.571 -1.241 4.393 1.00 0.00 C ATOM 1435 O ARG B 42 -5.525 -1.078 3.757 1.00 0.00 O ATOM 1436 CB ARG B 42 -6.362 0.053 6.518 1.00 0.00 C ATOM 1437 CG ARG B 42 -5.000 0.662 6.225 1.00 0.00 C ATOM 1438 CD ARG B 42 -4.897 2.084 6.757 1.00 0.00 C ATOM 1439 NE ARG B 42 -5.100 2.149 8.204 1.00 0.00 N ATOM 1440 CZ ARG B 42 -4.308 1.556 9.094 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -3.250 0.862 8.692 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -4.568 1.663 10.389 1.00 0.00 N ATOM 0 H ARG B 42 -4.718 -2.322 5.735 1.00 0.00 H new ATOM 0 HA ARG B 42 -7.512 -1.750 6.240 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -7.137 0.717 6.134 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -6.499 -0.006 7.598 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -4.221 0.047 6.676 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.824 0.662 5.149 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.917 2.492 6.511 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.637 2.711 6.260 1.00 0.00 H new ATOM 0 HE ARG B 42 -5.897 2.681 8.552 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -3.041 0.781 7.697 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -2.646 0.409 9.378 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.376 2.200 10.704 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -3.960 1.208 11.070 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.765 -1.337 3.815 1.00 0.00 N ATOM 1457 CA LEU B 43 -7.927 -1.254 2.368 1.00 0.00 C ATOM 1458 C LEU B 43 -8.075 0.199 1.925 1.00 0.00 C ATOM 1459 O LEU B 43 -8.940 0.925 2.419 1.00 0.00 O ATOM 1460 CB LEU B 43 -9.146 -2.066 1.924 1.00 0.00 C ATOM 1461 CG LEU B 43 -9.064 -3.568 2.209 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -10.347 -4.262 1.777 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -7.862 -4.180 1.506 1.00 0.00 C ATOM 0 H LEU B 43 -8.636 -1.473 4.328 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.035 -1.670 1.899 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.030 -1.666 2.420 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.289 -1.922 0.853 1.00 0.00 H new ATOM 0 HG LEU B 43 -8.941 -3.709 3.283 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -10.272 -5.329 1.987 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -11.190 -3.843 2.326 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.500 -4.112 0.708 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -7.820 -5.248 1.720 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -7.954 -4.029 0.430 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -6.950 -3.702 1.863 1.00 0.00 H new ATOM 1475 N ILE B 44 -7.226 0.614 0.992 1.00 0.00 N ATOM 1476 CA ILE B 44 -7.260 1.979 0.481 1.00 0.00 C ATOM 1477 C ILE B 44 -7.589 2.010 -1.006 1.00 0.00 C ATOM 1478 O ILE B 44 -7.129 1.166 -1.779 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.922 2.708 0.728 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.731 2.964 2.224 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.869 4.018 -0.047 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -4.347 3.446 2.581 1.00 0.00 C ATOM 0 H ILE B 44 -6.506 0.025 0.574 1.00 0.00 H new ATOM 0 HA ILE B 44 -8.049 2.498 1.026 1.00 0.00 H new ATOM 0 HB ILE B 44 -5.111 2.071 0.374 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -6.461 3.703 2.554 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.939 2.045 2.771 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.917 4.514 0.142 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.966 3.814 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.686 4.664 0.275 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.284 3.607 3.657 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.613 2.698 2.282 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -4.143 4.382 2.062 1.00 0.00 H new ATOM 1494 N PHE B 45 -8.386 2.999 -1.391 1.00 0.00 N ATOM 1495 CA PHE B 45 -8.794 3.176 -2.775 1.00 0.00 C ATOM 1496 C PHE B 45 -9.224 4.621 -3.002 1.00 0.00 C ATOM 1497 O PHE B 45 -9.689 5.288 -2.078 1.00 0.00 O ATOM 1498 CB PHE B 45 -9.940 2.221 -3.125 1.00 0.00 C ATOM 1499 CG PHE B 45 -10.370 2.292 -4.565 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -9.434 2.255 -5.587 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -11.713 2.396 -4.895 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -9.829 2.320 -6.910 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -12.113 2.462 -6.217 1.00 0.00 C ATOM 1504 CZ PHE B 45 -11.169 2.424 -7.225 1.00 0.00 C ATOM 0 H PHE B 45 -8.766 3.698 -0.753 1.00 0.00 H new ATOM 0 HA PHE B 45 -7.948 2.947 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -9.633 1.200 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.796 2.446 -2.488 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -8.384 2.174 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -12.455 2.426 -4.111 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -9.090 2.289 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -13.162 2.543 -6.461 1.00 0.00 H new ATOM 0 HZ PHE B 45 -11.479 2.476 -8.258 1.00 0.00 H new ATOM 1514 N ALA B 46 -9.045 5.108 -4.225 1.00 0.00 N ATOM 1515 CA ALA B 46 -9.401 6.482 -4.555 1.00 0.00 C ATOM 1516 C ALA B 46 -8.688 7.456 -3.623 1.00 0.00 C ATOM 1517 O ALA B 46 -9.200 8.533 -3.315 1.00 0.00 O ATOM 1518 CB ALA B 46 -10.909 6.675 -4.479 1.00 0.00 C ATOM 0 H ALA B 46 -8.657 4.573 -5.002 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.080 6.686 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.157 7.707 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -11.398 6.004 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -11.254 6.453 -3.469 1.00 0.00 H new ATOM 1524 N GLY B 47 -7.495 7.065 -3.191 1.00 0.00 N ATOM 1525 CA GLY B 47 -6.701 7.897 -2.307 1.00 0.00 C ATOM 1526 C GLY B 47 -7.288 8.037 -0.913 1.00 0.00 C ATOM 1527 O GLY B 47 -7.116 9.075 -0.272 1.00 0.00 O ATOM 0 H GLY B 47 -7.060 6.177 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -5.698 7.476 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -6.598 8.888 -2.750 1.00 0.00 H new ATOM 1531 N LYS B 48 -7.965 6.996 -0.429 1.00 0.00 N ATOM 1532 CA LYS B 48 -8.549 7.035 0.912 1.00 0.00 C ATOM 1533 C LYS B 48 -9.119 5.680 1.322 1.00 0.00 C ATOM 1534 O LYS B 48 -9.697 4.962 0.506 1.00 0.00 O ATOM 1535 CB LYS B 48 -9.640 8.102 1.002 1.00 0.00 C ATOM 1536 CG LYS B 48 -10.258 8.211 2.386 1.00 0.00 C ATOM 1537 CD LYS B 48 -11.261 9.351 2.481 1.00 0.00 C ATOM 1538 CE LYS B 48 -12.532 9.068 1.688 1.00 0.00 C ATOM 1539 NZ LYS B 48 -12.287 9.020 0.220 1.00 0.00 N ATOM 0 H LYS B 48 -8.122 6.126 -0.937 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.744 7.288 1.601 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.219 9.068 0.722 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -10.423 7.874 0.279 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.753 7.272 2.636 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.469 8.361 3.123 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.518 9.521 3.527 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.802 10.268 2.113 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.956 8.118 2.014 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.272 9.839 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.063 9.502 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.388 9.496 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.238 8.029 -0.092 1.00 0.00 H new ATOM 1553 N GLN B 49 -8.957 5.345 2.600 1.00 0.00 N ATOM 1554 CA GLN B 49 -9.459 4.085 3.139 1.00 0.00 C ATOM 1555 C GLN B 49 -10.958 3.952 2.895 1.00 0.00 C ATOM 1556 O GLN B 49 -11.725 4.875 3.171 1.00 0.00 O ATOM 1557 CB GLN B 49 -9.174 4.005 4.642 1.00 0.00 C ATOM 1558 CG GLN B 49 -9.745 2.761 5.306 1.00 0.00 C ATOM 1559 CD GLN B 49 -9.567 2.770 6.812 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -8.893 1.754 7.336 1.00 0.00 O flip ATOM 1561 NE2 GLN B 49 -10.035 3.679 7.497 1.00 0.00 N flip ATOM 0 H GLN B 49 -8.480 5.932 3.284 1.00 0.00 H new ATOM 0 HA GLN B 49 -8.948 3.268 2.629 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.096 4.029 4.800 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.587 4.888 5.129 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.806 2.682 5.070 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.260 1.877 4.892 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -10.547 4.441 7.052 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -9.911 3.670 8.509 1.00 0.00 H new ATOM 1570 N LEU B 50 -11.369 2.799 2.381 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.780 2.550 2.106 1.00 0.00 C ATOM 1572 C LEU B 50 -13.511 2.101 3.368 1.00 0.00 C ATOM 1573 O LEU B 50 -13.067 1.187 4.061 1.00 0.00 O ATOM 1574 CB LEU B 50 -12.928 1.495 1.007 1.00 0.00 C ATOM 1575 CG LEU B 50 -12.292 1.864 -0.336 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -12.507 0.753 -1.352 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -12.862 3.176 -0.854 1.00 0.00 C ATOM 0 H LEU B 50 -10.749 2.024 2.147 1.00 0.00 H new ATOM 0 HA LEU B 50 -13.229 3.483 1.765 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -12.485 0.563 1.357 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -13.989 1.304 0.849 1.00 0.00 H new ATOM 0 HG LEU B 50 -11.220 1.990 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -12.048 1.033 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -12.052 -0.167 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -13.576 0.596 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -12.398 3.422 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -13.939 3.077 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -12.658 3.970 -0.136 1.00 0.00 H new ATOM 1589 N GLU B 51 -14.637 2.751 3.657 1.00 0.00 N ATOM 1590 CA GLU B 51 -15.431 2.414 4.835 1.00 0.00 C ATOM 1591 C GLU B 51 -16.029 1.019 4.700 1.00 0.00 C ATOM 1592 O GLU B 51 -16.590 0.672 3.660 1.00 0.00 O ATOM 1593 CB GLU B 51 -16.545 3.442 5.042 1.00 0.00 C ATOM 1594 CG GLU B 51 -16.036 4.850 5.304 1.00 0.00 C ATOM 1595 CD GLU B 51 -17.160 5.848 5.501 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -17.977 6.013 4.570 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -17.222 6.465 6.584 1.00 0.00 O ATOM 0 H GLU B 51 -15.018 3.511 3.093 1.00 0.00 H new ATOM 0 HA GLU B 51 -14.772 2.429 5.703 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -17.184 3.455 4.159 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.166 3.128 5.881 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -15.401 4.844 6.190 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -15.414 5.169 4.468 1.00 0.00 H new ATOM 1604 N ASP B 52 -15.905 0.223 5.756 1.00 0.00 N ATOM 1605 CA ASP B 52 -16.431 -1.138 5.754 1.00 0.00 C ATOM 1606 C ASP B 52 -17.941 -1.149 5.533 1.00 0.00 C ATOM 1607 O ASP B 52 -18.461 -1.985 4.795 1.00 0.00 O ATOM 1608 CB ASP B 52 -16.076 -1.845 7.067 1.00 0.00 C ATOM 1609 CG ASP B 52 -16.568 -1.097 8.292 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -17.799 -0.986 8.469 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -15.719 -0.623 9.077 1.00 0.00 O ATOM 0 H ASP B 52 -15.445 0.496 6.624 1.00 0.00 H new ATOM 0 HA ASP B 52 -15.970 -1.677 4.926 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -16.506 -2.847 7.062 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -14.994 -1.963 7.130 1.00 0.00 H new ATOM 1616 N GLY B 53 -18.643 -0.221 6.178 1.00 0.00 N ATOM 1617 CA GLY B 53 -20.086 -0.149 6.036 1.00 0.00 C ATOM 1618 C GLY B 53 -20.518 0.564 4.768 1.00 0.00 C ATOM 1619 O GLY B 53 -21.435 1.384 4.795 1.00 0.00 O ATOM 0 H GLY B 53 -18.238 0.482 6.796 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -20.497 -1.158 6.038 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -20.506 0.368 6.899 1.00 0.00 H new ATOM 1623 N ARG B 54 -19.859 0.252 3.654 1.00 0.00 N ATOM 1624 CA ARG B 54 -20.183 0.873 2.371 1.00 0.00 C ATOM 1625 C ARG B 54 -19.959 -0.100 1.217 1.00 0.00 C ATOM 1626 O ARG B 54 -18.921 -0.754 1.135 1.00 0.00 O ATOM 1627 CB ARG B 54 -19.326 2.125 2.152 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.599 3.253 3.136 1.00 0.00 C ATOM 1629 CD ARG B 54 -21.022 3.777 3.012 1.00 0.00 C ATOM 1630 NE ARG B 54 -21.241 4.982 3.812 1.00 0.00 N ATOM 1631 CZ ARG B 54 -21.116 5.031 5.137 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -20.781 3.946 5.822 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -21.329 6.172 5.779 1.00 0.00 N ATOM 0 H ARG B 54 -19.098 -0.426 3.614 1.00 0.00 H new ATOM 0 HA ARG B 54 -21.236 1.152 2.395 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -18.274 1.847 2.219 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -19.494 2.493 1.140 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.429 2.898 4.153 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -18.895 4.067 2.961 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -21.237 3.994 1.966 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -21.721 3.002 3.327 1.00 0.00 H new ATOM 0 HE ARG B 54 -21.506 5.838 3.325 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -20.617 3.065 5.334 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -20.687 3.992 6.837 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -21.588 7.010 5.258 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -21.234 6.212 6.794 1.00 0.00 H new ATOM 1647 N THR B 55 -20.938 -0.181 0.321 1.00 0.00 N ATOM 1648 CA THR B 55 -20.849 -1.063 -0.838 1.00 0.00 C ATOM 1649 C THR B 55 -19.886 -0.503 -1.880 1.00 0.00 C ATOM 1650 O THR B 55 -19.656 0.704 -1.934 1.00 0.00 O ATOM 1651 CB THR B 55 -22.225 -1.276 -1.497 1.00 0.00 C ATOM 1652 OG1 THR B 55 -22.782 -0.016 -1.889 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.178 -1.985 -0.546 1.00 0.00 C ATOM 0 H THR B 55 -21.804 0.355 0.376 1.00 0.00 H new ATOM 0 HA THR B 55 -20.478 -2.021 -0.474 1.00 0.00 H new ATOM 0 HB THR B 55 -22.087 -1.901 -2.379 1.00 0.00 H new ATOM 0 HG1 THR B 55 -22.853 0.021 -2.866 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.143 -2.124 -1.034 1.00 0.00 H new ATOM 0 HG22 THR B 55 -22.765 -2.957 -0.275 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.310 -1.383 0.353 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.328 -1.384 -2.706 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.393 -0.971 -3.750 1.00 0.00 C ATOM 1663 C LEU B 56 -18.999 0.130 -4.617 1.00 0.00 C ATOM 1664 O LEU B 56 -18.321 1.088 -4.989 1.00 0.00 O ATOM 1665 CB LEU B 56 -18.014 -2.167 -4.628 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.250 -3.286 -3.917 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -17.106 -4.493 -4.830 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -15.882 -2.796 -3.471 1.00 0.00 C ATOM 0 H LEU B 56 -19.506 -2.388 -2.673 1.00 0.00 H new ATOM 0 HA LEU B 56 -17.497 -0.582 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -18.925 -2.586 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.408 -1.808 -5.460 1.00 0.00 H new ATOM 0 HG LEU B 56 -17.817 -3.583 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -16.560 -5.280 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -18.094 -4.859 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -16.560 -4.206 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.352 -3.605 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.310 -2.474 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -16.002 -1.958 -2.785 1.00 0.00 H new ATOM 1680 N SER B 57 -20.280 -0.019 -4.936 1.00 0.00 N ATOM 1681 CA SER B 57 -20.987 0.953 -5.762 1.00 0.00 C ATOM 1682 C SER B 57 -20.959 2.344 -5.133 1.00 0.00 C ATOM 1683 O SER B 57 -20.969 3.351 -5.842 1.00 0.00 O ATOM 1684 CB SER B 57 -22.436 0.510 -5.977 1.00 0.00 C ATOM 1685 OG SER B 57 -23.122 0.394 -4.742 1.00 0.00 O ATOM 0 H SER B 57 -20.852 -0.807 -4.633 1.00 0.00 H new ATOM 0 HA SER B 57 -20.477 1.005 -6.724 1.00 0.00 H new ATOM 0 HB2 SER B 57 -22.949 1.230 -6.615 1.00 0.00 H new ATOM 0 HB3 SER B 57 -22.454 -0.447 -6.498 1.00 0.00 H new ATOM 0 HG SER B 57 -24.046 0.111 -4.906 1.00 0.00 H new ATOM 1691 N ASP B 58 -20.938 2.396 -3.803 1.00 0.00 N ATOM 1692 CA ASP B 58 -20.922 3.668 -3.086 1.00 0.00 C ATOM 1693 C ASP B 58 -19.806 4.580 -3.591 1.00 0.00 C ATOM 1694 O ASP B 58 -20.062 5.708 -4.013 1.00 0.00 O ATOM 1695 CB ASP B 58 -20.759 3.431 -1.584 1.00 0.00 C ATOM 1696 CG ASP B 58 -20.746 4.724 -0.793 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -21.749 5.466 -0.853 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -19.734 4.994 -0.112 1.00 0.00 O ATOM 0 H ASP B 58 -20.932 1.573 -3.201 1.00 0.00 H new ATOM 0 HA ASP B 58 -21.875 4.163 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -21.573 2.799 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -19.831 2.888 -1.403 1.00 0.00 H new ATOM 1703 N TYR B 59 -18.568 4.089 -3.552 1.00 0.00 N ATOM 1704 CA TYR B 59 -17.427 4.875 -4.016 1.00 0.00 C ATOM 1705 C TYR B 59 -17.277 4.784 -5.530 1.00 0.00 C ATOM 1706 O TYR B 59 -16.179 4.947 -6.064 1.00 0.00 O ATOM 1707 CB TYR B 59 -16.134 4.403 -3.345 1.00 0.00 C ATOM 1708 CG TYR B 59 -16.145 4.524 -1.838 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -16.819 3.600 -1.050 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -15.487 5.570 -1.206 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -16.835 3.716 0.326 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -15.497 5.692 0.169 1.00 0.00 C ATOM 1713 CZ TYR B 59 -16.172 4.763 0.930 1.00 0.00 C ATOM 1714 OH TYR B 59 -16.187 4.883 2.299 1.00 0.00 O ATOM 0 H TYR B 59 -18.331 3.159 -3.207 1.00 0.00 H new ATOM 0 HA TYR B 59 -17.613 5.914 -3.743 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -15.956 3.362 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -15.299 4.982 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -17.338 2.778 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -14.958 6.301 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -17.364 2.990 0.926 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -14.979 6.511 0.645 1.00 0.00 H new ATOM 0 HH TYR B 59 -17.029 5.296 2.582 1.00 0.00 H new ATOM 1724 N ASN B 60 -18.387 4.524 -6.216 1.00 0.00 N ATOM 1725 CA ASN B 60 -18.382 4.408 -7.670 1.00 0.00 C ATOM 1726 C ASN B 60 -17.270 3.471 -8.130 1.00 0.00 C ATOM 1727 O ASN B 60 -16.681 3.661 -9.195 1.00 0.00 O ATOM 1728 CB ASN B 60 -18.207 5.784 -8.314 1.00 0.00 C ATOM 1729 CG ASN B 60 -19.270 6.769 -7.873 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -19.391 7.080 -6.687 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -20.050 7.265 -8.826 1.00 0.00 N ATOM 0 H ASN B 60 -19.302 4.390 -5.787 1.00 0.00 H new ATOM 0 HA ASN B 60 -19.340 3.992 -7.983 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -17.223 6.178 -8.060 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -18.239 5.681 -9.399 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -20.785 7.931 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -19.915 6.980 -9.796 1.00 0.00 H new ATOM 1738 N ILE B 61 -16.985 2.461 -7.313 1.00 0.00 N ATOM 1739 CA ILE B 61 -15.941 1.494 -7.624 1.00 0.00 C ATOM 1740 C ILE B 61 -16.319 0.654 -8.838 1.00 0.00 C ATOM 1741 O ILE B 61 -17.391 0.049 -8.879 1.00 0.00 O ATOM 1742 CB ILE B 61 -15.672 0.562 -6.426 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -15.290 1.385 -5.192 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -14.575 -0.438 -6.766 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -15.055 0.551 -3.951 1.00 0.00 C ATOM 0 H ILE B 61 -17.465 2.292 -6.429 1.00 0.00 H new ATOM 0 HA ILE B 61 -15.035 2.058 -7.846 1.00 0.00 H new ATOM 0 HB ILE B 61 -16.583 0.006 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -14.387 1.955 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -16.081 2.107 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -14.397 -1.088 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -14.883 -1.040 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -13.658 0.097 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.789 1.203 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.963 0.001 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -14.243 -0.153 -4.134 1.00 0.00 H new ATOM 1757 N GLN B 62 -15.430 0.623 -9.827 1.00 0.00 N ATOM 1758 CA GLN B 62 -15.667 -0.142 -11.044 1.00 0.00 C ATOM 1759 C GLN B 62 -15.482 -1.638 -10.789 1.00 0.00 C ATOM 1760 O GLN B 62 -15.909 -2.155 -9.756 1.00 0.00 O ATOM 1761 CB GLN B 62 -14.725 0.336 -12.154 1.00 0.00 C ATOM 1762 CG GLN B 62 -14.899 1.805 -12.506 1.00 0.00 C ATOM 1763 CD GLN B 62 -16.302 2.125 -12.987 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -16.765 1.579 -13.988 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -16.985 3.012 -12.275 1.00 0.00 N ATOM 0 H GLN B 62 -14.539 1.119 -9.808 1.00 0.00 H new ATOM 0 HA GLN B 62 -16.697 0.020 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -13.694 0.164 -11.844 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -14.894 -0.266 -13.047 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -14.670 2.414 -11.632 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -14.182 2.077 -13.281 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -16.562 3.440 -11.452 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -17.934 3.266 -12.551 1.00 0.00 H new ATOM 1774 N LYS B 63 -14.843 -2.330 -11.729 1.00 0.00 N ATOM 1775 CA LYS B 63 -14.604 -3.762 -11.597 1.00 0.00 C ATOM 1776 C LYS B 63 -13.109 -4.063 -11.637 1.00 0.00 C ATOM 1777 O LYS B 63 -12.359 -3.425 -12.378 1.00 0.00 O ATOM 1778 CB LYS B 63 -15.325 -4.525 -12.711 1.00 0.00 C ATOM 1779 CG LYS B 63 -14.884 -4.121 -14.109 1.00 0.00 C ATOM 1780 CD LYS B 63 -15.685 -4.846 -15.179 1.00 0.00 C ATOM 1781 CE LYS B 63 -15.244 -4.437 -16.574 1.00 0.00 C ATOM 1782 NZ LYS B 63 -16.036 -5.124 -17.632 1.00 0.00 N ATOM 0 H LYS B 63 -14.482 -1.921 -12.591 1.00 0.00 H new ATOM 0 HA LYS B 63 -14.997 -4.089 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -15.152 -5.593 -12.579 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -16.398 -4.361 -12.616 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -15.002 -3.044 -14.232 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -13.824 -4.342 -14.235 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -15.565 -5.923 -15.059 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -16.745 -4.628 -15.052 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -15.349 -3.358 -16.686 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -14.187 -4.670 -16.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -15.704 -4.817 -18.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -15.916 -6.153 -17.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -17.042 -4.882 -17.525 1.00 0.00 H new ATOM 1796 N GLU B 64 -12.682 -5.028 -10.828 1.00 0.00 N ATOM 1797 CA GLU B 64 -11.275 -5.409 -10.759 1.00 0.00 C ATOM 1798 C GLU B 64 -10.423 -4.232 -10.296 1.00 0.00 C ATOM 1799 O GLU B 64 -9.324 -4.006 -10.805 1.00 0.00 O ATOM 1800 CB GLU B 64 -10.783 -5.908 -12.122 1.00 0.00 C ATOM 1801 CG GLU B 64 -11.551 -7.112 -12.644 1.00 0.00 C ATOM 1802 CD GLU B 64 -11.066 -7.564 -14.007 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -9.876 -7.924 -14.125 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -11.877 -7.559 -14.957 1.00 0.00 O ATOM 0 H GLU B 64 -13.292 -5.562 -10.209 1.00 0.00 H new ATOM 0 HA GLU B 64 -11.178 -6.218 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -10.860 -5.097 -12.846 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.727 -6.167 -12.045 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.454 -7.935 -11.936 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -12.611 -6.865 -12.703 1.00 0.00 H new ATOM 1811 N SER B 65 -10.939 -3.486 -9.326 1.00 0.00 N ATOM 1812 CA SER B 65 -10.232 -2.330 -8.788 1.00 0.00 C ATOM 1813 C SER B 65 -9.007 -2.765 -7.990 1.00 0.00 C ATOM 1814 O SER B 65 -9.053 -3.746 -7.247 1.00 0.00 O ATOM 1815 CB SER B 65 -11.165 -1.499 -7.907 1.00 0.00 C ATOM 1816 OG SER B 65 -12.283 -1.037 -8.645 1.00 0.00 O ATOM 0 H SER B 65 -11.847 -3.662 -8.895 1.00 0.00 H new ATOM 0 HA SER B 65 -9.897 -1.717 -9.625 1.00 0.00 H new ATOM 0 HB2 SER B 65 -11.505 -2.100 -7.063 1.00 0.00 H new ATOM 0 HB3 SER B 65 -10.621 -0.649 -7.495 1.00 0.00 H new ATOM 0 HG SER B 65 -12.215 -0.067 -8.769 1.00 0.00 H new ATOM 1822 N THR B 66 -7.913 -2.032 -8.157 1.00 0.00 N ATOM 1823 CA THR B 66 -6.671 -2.338 -7.461 1.00 0.00 C ATOM 1824 C THR B 66 -6.607 -1.649 -6.099 1.00 0.00 C ATOM 1825 O THR B 66 -6.066 -0.549 -5.974 1.00 0.00 O ATOM 1826 CB THR B 66 -5.445 -1.926 -8.300 1.00 0.00 C ATOM 1827 OG1 THR B 66 -5.485 -2.575 -9.577 1.00 0.00 O ATOM 1828 CG2 THR B 66 -4.151 -2.288 -7.588 1.00 0.00 C ATOM 0 H THR B 66 -7.862 -1.219 -8.771 1.00 0.00 H new ATOM 0 HA THR B 66 -6.653 -3.417 -7.309 1.00 0.00 H new ATOM 0 HB THR B 66 -5.476 -0.845 -8.437 1.00 0.00 H new ATOM 0 HG1 THR B 66 -4.704 -2.307 -10.105 1.00 0.00 H new ATOM 0 HG21 THR B 66 -3.302 -1.987 -8.201 1.00 0.00 H new ATOM 0 HG22 THR B 66 -4.107 -1.772 -6.629 1.00 0.00 H new ATOM 0 HG23 THR B 66 -4.115 -3.365 -7.423 1.00 0.00 H new ATOM 1836 N LEU B 67 -7.149 -2.306 -5.077 1.00 0.00 N ATOM 1837 CA LEU B 67 -7.137 -1.757 -3.724 1.00 0.00 C ATOM 1838 C LEU B 67 -5.833 -2.120 -3.022 1.00 0.00 C ATOM 1839 O LEU B 67 -5.386 -3.266 -3.083 1.00 0.00 O ATOM 1840 CB LEU B 67 -8.329 -2.279 -2.912 1.00 0.00 C ATOM 1841 CG LEU B 67 -9.704 -1.763 -3.347 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -10.063 -2.269 -4.735 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -10.765 -2.179 -2.339 1.00 0.00 C ATOM 0 H LEU B 67 -7.601 -3.217 -5.159 1.00 0.00 H new ATOM 0 HA LEU B 67 -7.216 -0.672 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.335 -3.368 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -8.176 -2.015 -1.866 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.663 -0.674 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -11.044 -1.888 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.318 -1.924 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.085 -3.359 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.738 -1.806 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -10.797 -3.266 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -10.521 -1.763 -1.361 1.00 0.00 H new ATOM 1855 N HIS B 68 -5.218 -1.140 -2.366 1.00 0.00 N ATOM 1856 CA HIS B 68 -3.959 -1.376 -1.668 1.00 0.00 C ATOM 1857 C HIS B 68 -4.178 -1.827 -0.226 1.00 0.00 C ATOM 1858 O HIS B 68 -4.771 -1.114 0.583 1.00 0.00 O ATOM 1859 CB HIS B 68 -3.077 -0.131 -1.713 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.457 0.112 -3.058 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -1.545 1.118 -3.299 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -2.617 -0.536 -4.239 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -1.172 1.079 -4.566 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -1.808 0.085 -5.157 1.00 0.00 N ATOM 0 H HIS B 68 -5.567 -0.184 -2.303 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.449 -2.187 -2.187 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -3.673 0.738 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -2.286 -0.228 -0.969 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.261 -1.383 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.467 1.747 -5.038 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -1.713 -0.179 -6.138 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.676 -3.021 0.080 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.784 -3.598 1.416 1.00 0.00 C ATOM 1875 C LEU B 69 -2.672 -3.068 2.317 1.00 0.00 C ATOM 1876 O LEU B 69 -1.649 -3.727 2.509 1.00 0.00 O ATOM 1877 CB LEU B 69 -3.707 -5.124 1.329 1.00 0.00 C ATOM 1878 CG LEU B 69 -3.759 -5.864 2.666 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -5.099 -5.643 3.353 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -3.499 -7.350 2.457 1.00 0.00 C ATOM 0 H LEU B 69 -3.185 -3.613 -0.589 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.744 -3.312 1.846 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -4.529 -5.477 0.706 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -2.782 -5.395 0.820 1.00 0.00 H new ATOM 0 HG LEU B 69 -2.979 -5.464 3.313 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -5.114 -6.179 4.302 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.243 -4.578 3.535 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -5.901 -6.014 2.715 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -3.539 -7.865 3.417 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -4.258 -7.762 1.792 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -2.514 -7.488 2.012 1.00 0.00 H new ATOM 1892 N VAL B 70 -2.868 -1.870 2.855 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.868 -1.254 3.720 1.00 0.00 C ATOM 1894 C VAL B 70 -1.792 -1.940 5.079 1.00 0.00 C ATOM 1895 O VAL B 70 -2.779 -2.016 5.809 1.00 0.00 O ATOM 1896 CB VAL B 70 -2.153 0.246 3.915 1.00 0.00 C ATOM 1897 CG1 VAL B 70 -1.186 0.858 4.918 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -2.071 0.968 2.580 1.00 0.00 C ATOM 0 H VAL B 70 -3.706 -1.308 2.709 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.906 -1.374 3.222 1.00 0.00 H new ATOM 0 HB VAL B 70 -3.161 0.358 4.314 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -1.409 1.918 5.038 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -1.291 0.354 5.879 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.164 0.740 4.557 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.274 2.029 2.727 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -1.073 0.844 2.160 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.807 0.549 1.894 1.00 0.00 H new ATOM 1908 N LEU B 71 -0.600 -2.425 5.414 1.00 0.00 N ATOM 1909 CA LEU B 71 -0.371 -3.096 6.687 1.00 0.00 C ATOM 1910 C LEU B 71 0.279 -2.145 7.682 1.00 0.00 C ATOM 1911 O LEU B 71 1.192 -1.395 7.333 1.00 0.00 O ATOM 1912 CB LEU B 71 0.513 -4.327 6.486 1.00 0.00 C ATOM 1913 CG LEU B 71 -0.075 -5.401 5.570 1.00 0.00 C ATOM 1914 CD1 LEU B 71 0.944 -6.503 5.316 1.00 0.00 C ATOM 1915 CD2 LEU B 71 -1.347 -5.979 6.173 1.00 0.00 C ATOM 0 H LEU B 71 0.225 -2.365 4.817 1.00 0.00 H new ATOM 0 HA LEU B 71 -1.334 -3.414 7.086 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.470 -4.005 6.076 1.00 0.00 H new ATOM 0 HB3 LEU B 71 0.717 -4.773 7.460 1.00 0.00 H new ATOM 0 HG LEU B 71 -0.326 -4.939 4.615 1.00 0.00 H new ATOM 0 HD11 LEU B 71 0.508 -7.258 4.662 1.00 0.00 H new ATOM 0 HD12 LEU B 71 1.828 -6.078 4.841 1.00 0.00 H new ATOM 0 HD13 LEU B 71 1.227 -6.962 6.263 1.00 0.00 H new ATOM 0 HD21 LEU B 71 -1.751 -6.742 5.507 1.00 0.00 H new ATOM 0 HD22 LEU B 71 -1.120 -6.426 7.141 1.00 0.00 H new ATOM 0 HD23 LEU B 71 -2.082 -5.184 6.303 1.00 0.00 H new ATOM 1927 N ARG B 72 -0.191 -2.180 8.923 1.00 0.00 N ATOM 1928 CA ARG B 72 0.354 -1.317 9.966 1.00 0.00 C ATOM 1929 C ARG B 72 1.786 -1.730 10.306 1.00 0.00 C ATOM 1930 O ARG B 72 2.711 -1.470 9.537 1.00 0.00 O ATOM 1931 CB ARG B 72 -0.533 -1.356 11.212 1.00 0.00 C ATOM 1932 CG ARG B 72 -0.146 -0.341 12.275 1.00 0.00 C ATOM 1933 CD ARG B 72 -1.076 -0.413 13.476 1.00 0.00 C ATOM 1934 NE ARG B 72 -0.756 0.593 14.486 1.00 0.00 N ATOM 1935 CZ ARG B 72 0.396 0.635 15.153 1.00 0.00 C ATOM 1936 NH1 ARG B 72 1.333 -0.274 14.926 1.00 0.00 N ATOM 1937 NH2 ARG B 72 0.606 1.587 16.052 1.00 0.00 N ATOM 0 H ARG B 72 -0.945 -2.794 9.232 1.00 0.00 H new ATOM 0 HA ARG B 72 0.373 -0.293 9.594 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -1.567 -1.181 10.916 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -0.491 -2.355 11.645 1.00 0.00 H new ATOM 0 HG2 ARG B 72 0.880 -0.521 12.596 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -0.175 0.662 11.850 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -2.105 -0.277 13.144 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -1.013 -1.405 13.922 1.00 0.00 H new ATOM 0 HE ARG B 72 -1.456 1.305 14.693 1.00 0.00 H new ATOM 0 HH11 ARG B 72 1.174 -1.010 14.238 1.00 0.00 H new ATOM 0 HH12 ARG B 72 2.214 -0.238 15.439 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -0.114 2.286 16.232 1.00 0.00 H new ATOM 0 HH22 ARG B 72 1.488 1.620 16.563 1.00 0.00 H new