USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ -123:sc= 0.935 (180deg=-0.29) USER MOD Set 1.2: A 74 CYS SG : rot -19:sc= 0.363 USER MOD Single : A 1 SER N :NH3+ -153:sc= 0.0757 (180deg=-1.13!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.0482 (180deg=-0.372) USER MOD Single : A 7 CYS SG : rot -94:sc= -0.547 USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= -0.103 (180deg=-0.493) USER MOD Single : A 10 MET CE :methyl 158:sc= -0.281 (180deg=-1.41) USER MOD Single : A 11 SER OG : rot -82:sc= 1.22 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.364 USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= 1.78 (180deg=1.19) USER MOD Single : A 17 GLN : amide:sc= 0.755 K(o=0.76,f=-5.4!) USER MOD Single : A 19 SER OG : rot 180:sc= -2.73! USER MOD Single : A 23 ASN : amide:sc= -0.0568 X(o=-0.057,f=-0.057) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc=-0.00733 (180deg=-0.11) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.0214 K(o=0.021,f=-0.63) USER MOD Single : A 39 SER OG : rot 93:sc= 1.26 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.286 K(o=-0.29,f=-4!) USER MOD Single : A 47 SER OG : rot 89:sc= 0.113 USER MOD Single : A 48 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.44) USER MOD Single : A 58 THR OG1 : rot -16:sc= -1.06! USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 2.02 (180deg=2) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0.213 USER MOD Single : A 70 TYR OH : rot 162:sc= 0.677 USER MOD Single : A 72 THR OG1 : rot 169:sc= 0.343 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -169:sc=-0.00893 (180deg=-0.153) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= -0.0149 (180deg=-0.142) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.195 F(o=-1.1,f=-0.2) USER MOD Single : B 203 LYS NZ :NH3+ -120:sc= 1.06 (180deg=0.595) USER MOD Single : B 205 LYS NZ :NH3+ -165:sc= 0.81 (180deg=0.443) USER MOD Single : B 207 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : B 208 LYS NZ :NH3+ -171:sc= -0.152! (180deg=-0.417!) USER MOD Single : B 209 THR OG1 : rot 5:sc= 1.13 USER MOD Single : B 211 GLN : amide:sc= -0.365 K(o=-0.36,f=-1.4) USER MOD Single : B 212 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.157 -3.599 -14.417 1.00 0.00 N ATOM 2 CA SER A 1 -16.049 -2.430 -14.304 1.00 0.00 C ATOM 3 C SER A 1 -17.131 -2.670 -13.251 1.00 0.00 C ATOM 4 O SER A 1 -17.760 -1.725 -12.774 1.00 0.00 O ATOM 5 CB SER A 1 -16.688 -2.150 -15.663 1.00 0.00 C ATOM 6 OG SER A 1 -15.736 -2.298 -16.708 1.00 0.00 O ATOM 0 H1 SER A 1 -14.221 -3.291 -14.749 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.061 -4.054 -13.487 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.559 -4.278 -15.095 1.00 0.00 H new ATOM 0 HA SER A 1 -15.462 -1.567 -13.991 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.522 -2.833 -15.825 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.096 -1.139 -15.677 1.00 0.00 H new ATOM 0 HG SER A 1 -16.165 -2.116 -17.570 1.00 0.00 H new ATOM 14 N GLU A 2 -17.353 -3.933 -12.890 1.00 0.00 N ATOM 15 CA GLU A 2 -18.373 -4.263 -11.907 1.00 0.00 C ATOM 16 C GLU A 2 -17.781 -4.508 -10.513 1.00 0.00 C ATOM 17 O GLU A 2 -18.076 -3.768 -9.578 1.00 0.00 O ATOM 18 CB GLU A 2 -19.211 -5.471 -12.360 1.00 0.00 C ATOM 19 CG GLU A 2 -18.399 -6.692 -12.762 1.00 0.00 C ATOM 20 CD GLU A 2 -19.273 -7.856 -13.168 1.00 0.00 C ATOM 21 OE1 GLU A 2 -19.817 -8.536 -12.276 1.00 0.00 O ATOM 22 OE2 GLU A 2 -19.424 -8.095 -14.382 1.00 0.00 O ATOM 0 H GLU A 2 -16.844 -4.735 -13.262 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.028 -3.395 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.887 -5.751 -11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.831 -5.170 -13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.740 -6.430 -13.589 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.762 -6.992 -11.930 1.00 0.00 H new ATOM 29 N GLU A 3 -16.921 -5.518 -10.388 1.00 0.00 N ATOM 30 CA GLU A 3 -16.505 -6.015 -9.075 1.00 0.00 C ATOM 31 C GLU A 3 -15.418 -5.157 -8.430 1.00 0.00 C ATOM 32 O GLU A 3 -15.390 -5.004 -7.208 1.00 0.00 O ATOM 33 CB GLU A 3 -16.044 -7.467 -9.176 1.00 0.00 C ATOM 34 CG GLU A 3 -14.848 -7.638 -10.071 1.00 0.00 C ATOM 35 CD GLU A 3 -14.220 -9.012 -9.968 1.00 0.00 C ATOM 36 OE1 GLU A 3 -14.709 -9.947 -10.637 1.00 0.00 O ATOM 37 OE2 GLU A 3 -13.232 -9.167 -9.218 1.00 0.00 O ATOM 0 H GLU A 3 -16.499 -6.008 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.379 -5.955 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.802 -7.837 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.864 -8.078 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.146 -7.458 -11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.102 -6.884 -9.818 1.00 0.00 H new ATOM 44 N GLU A 4 -14.537 -4.583 -9.236 1.00 0.00 N ATOM 45 CA GLU A 4 -13.439 -3.784 -8.697 1.00 0.00 C ATOM 46 C GLU A 4 -13.889 -2.341 -8.524 1.00 0.00 C ATOM 47 O GLU A 4 -13.308 -1.578 -7.757 1.00 0.00 O ATOM 48 CB GLU A 4 -12.186 -3.849 -9.589 1.00 0.00 C ATOM 49 CG GLU A 4 -12.324 -3.151 -10.939 1.00 0.00 C ATOM 50 CD GLU A 4 -13.336 -3.807 -11.851 1.00 0.00 C ATOM 51 OE1 GLU A 4 -14.531 -3.470 -11.762 1.00 0.00 O ATOM 52 OE2 GLU A 4 -12.946 -4.672 -12.660 1.00 0.00 O ATOM 0 H GLU A 4 -14.557 -4.652 -10.253 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.168 -4.201 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.350 -3.404 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.934 -4.895 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.612 -2.113 -10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.353 -3.138 -11.435 1.00 0.00 H new ATOM 59 N ASP A 5 -14.935 -1.983 -9.249 1.00 0.00 N ATOM 60 CA ASP A 5 -15.506 -0.646 -9.173 1.00 0.00 C ATOM 61 C ASP A 5 -16.487 -0.546 -8.008 1.00 0.00 C ATOM 62 O ASP A 5 -16.801 0.545 -7.535 1.00 0.00 O ATOM 63 CB ASP A 5 -16.202 -0.304 -10.497 1.00 0.00 C ATOM 64 CG ASP A 5 -16.908 1.033 -10.470 1.00 0.00 C ATOM 65 OD1 ASP A 5 -16.262 2.060 -10.771 1.00 0.00 O ATOM 66 OD2 ASP A 5 -18.118 1.063 -10.163 1.00 0.00 O ATOM 0 H ASP A 5 -15.411 -2.605 -9.903 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.704 0.072 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.463 -0.302 -11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.925 -1.085 -10.732 1.00 0.00 H new ATOM 71 N LYS A 6 -16.932 -1.698 -7.520 1.00 0.00 N ATOM 72 CA LYS A 6 -17.949 -1.743 -6.481 1.00 0.00 C ATOM 73 C LYS A 6 -17.344 -2.260 -5.181 1.00 0.00 C ATOM 74 O LYS A 6 -18.021 -2.885 -4.364 1.00 0.00 O ATOM 75 CB LYS A 6 -19.099 -2.646 -6.925 1.00 0.00 C ATOM 76 CG LYS A 6 -20.394 -2.429 -6.159 1.00 0.00 C ATOM 77 CD LYS A 6 -21.034 -1.101 -6.521 1.00 0.00 C ATOM 78 CE LYS A 6 -22.402 -0.948 -5.873 1.00 0.00 C ATOM 79 NZ LYS A 6 -23.359 -1.996 -6.320 1.00 0.00 N ATOM 0 H LYS A 6 -16.603 -2.613 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.333 -0.737 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.286 -2.482 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.793 -3.686 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.088 -3.241 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.195 -2.459 -5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.386 -0.284 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -21.132 -1.026 -7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.295 -0.995 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -22.806 0.036 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -24.331 -1.692 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -23.258 -2.145 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -23.158 -2.885 -5.820 1.00 0.00 H new ATOM 93 N CYS A 7 -16.063 -2.000 -4.999 1.00 0.00 N ATOM 94 CA CYS A 7 -15.347 -2.473 -3.827 1.00 0.00 C ATOM 95 C CYS A 7 -15.726 -1.649 -2.601 1.00 0.00 C ATOM 96 O CYS A 7 -15.840 -0.423 -2.673 1.00 0.00 O ATOM 97 CB CYS A 7 -13.833 -2.389 -4.088 1.00 0.00 C ATOM 98 SG CYS A 7 -13.351 -0.877 -4.947 1.00 0.00 S ATOM 0 H CYS A 7 -15.493 -1.461 -5.651 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.620 -3.510 -3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.302 -2.446 -3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.523 -3.251 -4.679 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.304 -1.101 -6.227 1.00 0.00 H new ATOM 104 N LYS A 8 -15.938 -2.327 -1.488 1.00 0.00 N ATOM 105 CA LYS A 8 -16.310 -1.665 -0.248 1.00 0.00 C ATOM 106 C LYS A 8 -15.071 -1.371 0.587 1.00 0.00 C ATOM 107 O LYS A 8 -14.079 -2.100 0.513 1.00 0.00 O ATOM 108 CB LYS A 8 -17.288 -2.536 0.548 1.00 0.00 C ATOM 109 CG LYS A 8 -18.746 -2.354 0.149 1.00 0.00 C ATOM 110 CD LYS A 8 -18.997 -2.752 -1.297 1.00 0.00 C ATOM 111 CE LYS A 8 -20.402 -2.382 -1.740 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.634 -0.916 -1.678 1.00 0.00 N ATOM 0 H LYS A 8 -15.859 -3.341 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.800 -0.722 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.014 -3.583 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.181 -2.308 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.378 -2.953 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.034 -1.313 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.269 -2.260 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.849 -3.826 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.566 -2.733 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.128 -2.892 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.430 -0.664 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.856 -0.641 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.778 -0.416 -1.993 1.00 0.00 H new ATOM 126 N PRO A 9 -15.101 -0.285 1.380 1.00 0.00 N ATOM 127 CA PRO A 9 -13.985 0.075 2.248 1.00 0.00 C ATOM 128 C PRO A 9 -13.737 -0.975 3.313 1.00 0.00 C ATOM 129 O PRO A 9 -14.676 -1.535 3.880 1.00 0.00 O ATOM 130 CB PRO A 9 -14.417 1.377 2.918 1.00 0.00 C ATOM 131 CG PRO A 9 -15.593 1.869 2.143 1.00 0.00 C ATOM 132 CD PRO A 9 -16.220 0.664 1.497 1.00 0.00 C ATOM 0 HA PRO A 9 -13.061 0.165 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.681 1.209 3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.609 2.108 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.305 2.372 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.284 2.595 1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.029 0.258 2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.644 0.906 0.523 1.00 0.00 H new ATOM 140 N MET A 10 -12.475 -1.238 3.578 1.00 0.00 N ATOM 141 CA MET A 10 -12.105 -2.160 4.630 1.00 0.00 C ATOM 142 C MET A 10 -12.097 -1.439 5.974 1.00 0.00 C ATOM 143 O MET A 10 -12.001 -0.211 6.030 1.00 0.00 O ATOM 144 CB MET A 10 -10.745 -2.790 4.333 1.00 0.00 C ATOM 145 CG MET A 10 -9.623 -1.789 4.156 1.00 0.00 C ATOM 146 SD MET A 10 -8.055 -2.579 3.749 1.00 0.00 S ATOM 147 CE MET A 10 -8.501 -3.492 2.272 1.00 0.00 C ATOM 0 H MET A 10 -11.687 -0.826 3.078 1.00 0.00 H new ATOM 0 HA MET A 10 -12.841 -2.963 4.676 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.486 -3.469 5.146 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.826 -3.392 3.428 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.888 -1.086 3.366 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.508 -1.210 5.073 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.604 -3.704 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.981 -4.429 2.554 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.190 -2.898 1.672 1.00 0.00 H new ATOM 157 N SER A 11 -12.218 -2.207 7.042 1.00 0.00 N ATOM 158 CA SER A 11 -12.345 -1.659 8.387 1.00 0.00 C ATOM 159 C SER A 11 -11.038 -1.040 8.889 1.00 0.00 C ATOM 160 O SER A 11 -10.002 -1.127 8.221 1.00 0.00 O ATOM 161 CB SER A 11 -12.810 -2.756 9.349 1.00 0.00 C ATOM 162 OG SER A 11 -11.933 -3.872 9.315 1.00 0.00 O ATOM 0 H SER A 11 -12.231 -3.226 7.005 1.00 0.00 H new ATOM 0 HA SER A 11 -13.085 -0.860 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.858 -2.358 10.363 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.818 -3.074 9.083 1.00 0.00 H new ATOM 0 HG SER A 11 -12.156 -4.440 8.548 1.00 0.00 H new ATOM 168 N TYR A 12 -11.091 -0.428 10.070 1.00 0.00 N ATOM 169 CA TYR A 12 -9.918 0.211 10.666 1.00 0.00 C ATOM 170 C TYR A 12 -8.789 -0.804 10.850 1.00 0.00 C ATOM 171 O TYR A 12 -7.629 -0.516 10.538 1.00 0.00 O ATOM 172 CB TYR A 12 -10.299 0.859 12.008 1.00 0.00 C ATOM 173 CG TYR A 12 -9.195 1.679 12.649 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.112 1.062 13.256 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.246 3.067 12.660 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.112 1.798 13.855 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.245 3.813 13.257 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.180 3.171 13.853 1.00 0.00 C ATOM 179 OH TYR A 12 -6.181 3.904 14.456 1.00 0.00 O ATOM 0 H TYR A 12 -11.937 -0.361 10.636 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.560 0.991 9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.167 1.500 11.854 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.601 0.075 12.702 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.051 -0.016 13.260 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.080 3.572 12.195 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.278 1.298 14.324 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.298 4.892 13.256 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.377 4.860 14.366 1.00 0.00 H new ATOM 189 N GLU A 13 -9.136 -2.001 11.324 1.00 0.00 N ATOM 190 CA GLU A 13 -8.147 -3.052 11.547 1.00 0.00 C ATOM 191 C GLU A 13 -7.436 -3.401 10.244 1.00 0.00 C ATOM 192 O GLU A 13 -6.231 -3.649 10.227 1.00 0.00 O ATOM 193 CB GLU A 13 -8.806 -4.311 12.121 1.00 0.00 C ATOM 194 CG GLU A 13 -7.807 -5.394 12.494 1.00 0.00 C ATOM 195 CD GLU A 13 -8.466 -6.596 13.131 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.054 -7.415 12.397 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.395 -6.727 14.369 1.00 0.00 O ATOM 0 H GLU A 13 -10.093 -2.265 11.560 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.419 -2.676 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.384 -4.040 13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.509 -4.711 11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.268 -5.710 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.069 -4.981 13.182 1.00 0.00 H new ATOM 204 N GLU A 14 -8.188 -3.383 9.154 1.00 0.00 N ATOM 205 CA GLU A 14 -7.660 -3.768 7.853 1.00 0.00 C ATOM 206 C GLU A 14 -6.781 -2.666 7.276 1.00 0.00 C ATOM 207 O GLU A 14 -5.691 -2.939 6.778 1.00 0.00 O ATOM 208 CB GLU A 14 -8.803 -4.094 6.894 1.00 0.00 C ATOM 209 CG GLU A 14 -9.599 -5.332 7.279 1.00 0.00 C ATOM 210 CD GLU A 14 -10.872 -5.471 6.472 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.910 -4.919 6.894 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.837 -6.118 5.404 1.00 0.00 O ATOM 0 H GLU A 14 -9.169 -3.105 9.144 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.046 -4.659 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.479 -3.240 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.395 -4.234 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.981 -6.218 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.847 -5.286 8.339 1.00 0.00 H new ATOM 219 N LYS A 15 -7.255 -1.425 7.352 1.00 0.00 N ATOM 220 CA LYS A 15 -6.475 -0.277 6.901 1.00 0.00 C ATOM 221 C LYS A 15 -5.158 -0.182 7.670 1.00 0.00 C ATOM 222 O LYS A 15 -4.098 0.045 7.085 1.00 0.00 O ATOM 223 CB LYS A 15 -7.279 1.016 7.072 1.00 0.00 C ATOM 224 CG LYS A 15 -8.444 1.165 6.105 1.00 0.00 C ATOM 225 CD LYS A 15 -9.414 2.242 6.583 1.00 0.00 C ATOM 226 CE LYS A 15 -10.400 2.676 5.509 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.414 4.155 5.357 1.00 0.00 N ATOM 0 H LYS A 15 -8.176 -1.189 7.722 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.249 -0.414 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.661 1.059 8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.608 1.866 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.069 1.422 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.968 0.214 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.966 1.868 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.847 3.110 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.134 2.213 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.399 2.325 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.289 4.446 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.370 4.601 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.593 4.454 4.793 1.00 0.00 H new ATOM 241 N ARG A 16 -5.231 -0.362 8.984 1.00 0.00 N ATOM 242 CA ARG A 16 -4.037 -0.372 9.824 1.00 0.00 C ATOM 243 C ARG A 16 -3.113 -1.516 9.426 1.00 0.00 C ATOM 244 O ARG A 16 -1.904 -1.333 9.287 1.00 0.00 O ATOM 245 CB ARG A 16 -4.408 -0.529 11.298 1.00 0.00 C ATOM 246 CG ARG A 16 -3.205 -0.473 12.230 1.00 0.00 C ATOM 247 CD ARG A 16 -3.412 -1.332 13.466 1.00 0.00 C ATOM 248 NE ARG A 16 -3.449 -2.760 13.138 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.194 -3.655 13.785 1.00 0.00 C ATOM 250 NH1 ARG A 16 -4.985 -3.269 14.781 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.148 -4.938 13.438 1.00 0.00 N ATOM 0 H ARG A 16 -6.104 -0.503 9.492 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.526 0.580 9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.110 0.257 11.575 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.923 -1.480 11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.316 -0.810 11.697 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.025 0.559 12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.608 -1.144 14.178 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.344 -1.047 13.954 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.868 -3.089 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.022 -2.286 15.051 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.555 -3.956 15.275 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.541 -5.239 12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.719 -5.621 13.935 1.00 0.00 H new ATOM 265 N GLN A 17 -3.693 -2.698 9.247 1.00 0.00 N ATOM 266 CA GLN A 17 -2.929 -3.886 8.911 1.00 0.00 C ATOM 267 C GLN A 17 -2.290 -3.745 7.541 1.00 0.00 C ATOM 268 O GLN A 17 -1.256 -4.337 7.270 1.00 0.00 O ATOM 269 CB GLN A 17 -3.832 -5.118 8.949 1.00 0.00 C ATOM 270 CG GLN A 17 -3.070 -6.426 9.053 1.00 0.00 C ATOM 271 CD GLN A 17 -2.261 -6.517 10.331 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.621 -5.928 11.352 1.00 0.00 O ATOM 273 NE2 GLN A 17 -1.165 -7.254 10.288 1.00 0.00 N ATOM 0 H GLN A 17 -4.697 -2.855 9.331 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.135 -4.006 9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.511 -5.034 9.797 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.447 -5.136 8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.773 -7.258 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.404 -6.526 8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.901 -7.726 9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.583 -7.351 11.120 1.00 0.00 H new ATOM 282 N LEU A 18 -2.910 -2.941 6.696 1.00 0.00 N ATOM 283 CA LEU A 18 -2.409 -2.688 5.350 1.00 0.00 C ATOM 284 C LEU A 18 -1.180 -1.789 5.421 1.00 0.00 C ATOM 285 O LEU A 18 -0.215 -1.949 4.682 1.00 0.00 O ATOM 286 CB LEU A 18 -3.506 -2.035 4.511 1.00 0.00 C ATOM 287 CG LEU A 18 -3.672 -2.562 3.083 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.981 -2.077 2.495 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.522 -2.132 2.195 1.00 0.00 C ATOM 0 H LEU A 18 -3.773 -2.445 6.919 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.124 -3.630 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.455 -2.157 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.306 -0.965 4.460 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.676 -3.651 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.087 -2.458 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.809 -2.436 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.990 -0.987 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.673 -2.524 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.478 -1.044 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.586 -2.519 2.599 1.00 0.00 H new ATOM 301 N SER A 19 -1.216 -0.837 6.329 1.00 0.00 N ATOM 302 CA SER A 19 -0.037 -0.045 6.622 1.00 0.00 C ATOM 303 C SER A 19 1.085 -0.963 7.104 1.00 0.00 C ATOM 304 O SER A 19 2.265 -0.764 6.789 1.00 0.00 O ATOM 305 CB SER A 19 -0.366 1.021 7.676 1.00 0.00 C ATOM 306 OG SER A 19 0.773 1.791 8.018 1.00 0.00 O ATOM 0 H SER A 19 -2.042 -0.592 6.875 1.00 0.00 H new ATOM 0 HA SER A 19 0.294 0.466 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.149 1.678 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.761 0.539 8.570 1.00 0.00 H new ATOM 0 HG SER A 19 0.526 2.460 8.690 1.00 0.00 H new ATOM 312 N LEU A 20 0.697 -1.995 7.833 1.00 0.00 N ATOM 313 CA LEU A 20 1.639 -2.955 8.374 1.00 0.00 C ATOM 314 C LEU A 20 2.114 -3.939 7.308 1.00 0.00 C ATOM 315 O LEU A 20 3.263 -4.377 7.335 1.00 0.00 O ATOM 316 CB LEU A 20 1.003 -3.703 9.544 1.00 0.00 C ATOM 317 CG LEU A 20 0.743 -2.861 10.789 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.047 -3.674 11.792 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.055 -2.402 11.404 1.00 0.00 C ATOM 0 H LEU A 20 -0.277 -2.189 8.065 1.00 0.00 H new ATOM 0 HA LEU A 20 2.513 -2.408 8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.058 -4.131 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.651 -4.536 9.817 1.00 0.00 H new ATOM 0 HG LEU A 20 0.169 -1.978 10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.233 -3.073 12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.998 -3.972 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.520 -4.563 12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.851 -1.803 12.291 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.650 -3.272 11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.606 -1.802 10.680 1.00 0.00 H new ATOM 331 N ASP A 21 1.242 -4.280 6.365 1.00 0.00 N ATOM 332 CA ASP A 21 1.566 -5.287 5.364 1.00 0.00 C ATOM 333 C ASP A 21 2.438 -4.721 4.244 1.00 0.00 C ATOM 334 O ASP A 21 3.291 -5.427 3.702 1.00 0.00 O ATOM 335 CB ASP A 21 0.299 -5.980 4.822 1.00 0.00 C ATOM 336 CG ASP A 21 -0.699 -5.085 4.126 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.293 -4.188 3.378 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.916 -5.322 4.307 1.00 0.00 O ATOM 0 H ASP A 21 0.310 -3.875 6.274 1.00 0.00 H new ATOM 0 HA ASP A 21 2.159 -6.055 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.606 -6.760 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.204 -6.475 5.653 1.00 0.00 H new ATOM 343 N ILE A 22 2.265 -3.445 3.921 1.00 0.00 N ATOM 344 CA ILE A 22 3.140 -2.794 2.951 1.00 0.00 C ATOM 345 C ILE A 22 4.509 -2.552 3.565 1.00 0.00 C ATOM 346 O ILE A 22 5.536 -2.664 2.897 1.00 0.00 O ATOM 347 CB ILE A 22 2.552 -1.460 2.448 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.282 -1.712 1.635 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.561 -0.697 1.611 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.474 -0.468 1.409 1.00 0.00 C ATOM 0 H ILE A 22 1.537 -2.846 4.310 1.00 0.00 H new ATOM 0 HA ILE A 22 3.232 -3.461 2.094 1.00 0.00 H new ATOM 0 HB ILE A 22 2.304 -0.854 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.554 -2.142 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.667 -2.449 2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.118 0.239 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.445 -0.483 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.847 -1.298 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.414 -0.712 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.174 -0.049 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.074 0.262 0.867 1.00 0.00 H new ATOM 362 N ASN A 23 4.516 -2.246 4.855 1.00 0.00 N ATOM 363 CA ASN A 23 5.756 -2.046 5.585 1.00 0.00 C ATOM 364 C ASN A 23 6.568 -3.348 5.643 1.00 0.00 C ATOM 365 O ASN A 23 7.769 -3.337 5.913 1.00 0.00 O ATOM 366 CB ASN A 23 5.441 -1.518 6.990 1.00 0.00 C ATOM 367 CG ASN A 23 6.672 -1.451 7.902 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.423 -0.476 7.860 1.00 0.00 O ATOM 369 ND2 ASN A 23 6.879 -2.461 8.745 1.00 0.00 N ATOM 0 H ASN A 23 3.673 -2.131 5.417 1.00 0.00 H new ATOM 0 HA ASN A 23 6.366 -1.308 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.004 -0.523 6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.690 -2.159 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.677 -2.440 9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.239 -3.255 8.756 1.00 0.00 H new ATOM 376 N LYS A 24 5.909 -4.470 5.362 1.00 0.00 N ATOM 377 CA LYS A 24 6.575 -5.768 5.330 1.00 0.00 C ATOM 378 C LYS A 24 7.308 -5.980 4.010 1.00 0.00 C ATOM 379 O LYS A 24 8.321 -6.681 3.960 1.00 0.00 O ATOM 380 CB LYS A 24 5.565 -6.894 5.530 1.00 0.00 C ATOM 381 CG LYS A 24 4.996 -6.970 6.934 1.00 0.00 C ATOM 382 CD LYS A 24 3.944 -8.060 7.051 1.00 0.00 C ATOM 383 CE LYS A 24 3.305 -8.075 8.430 1.00 0.00 C ATOM 384 NZ LYS A 24 4.298 -8.340 9.507 1.00 0.00 N ATOM 0 H LYS A 24 4.911 -4.505 5.153 1.00 0.00 H new ATOM 0 HA LYS A 24 7.302 -5.782 6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.745 -6.763 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.043 -7.844 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.801 -7.162 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.557 -6.009 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.174 -7.907 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.400 -9.030 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.819 -7.117 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.527 -8.838 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.802 -8.476 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.839 -9.198 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.948 -7.532 9.587 1.00 0.00 H new ATOM 398 N LEU A 25 6.786 -5.387 2.945 1.00 0.00 N ATOM 399 CA LEU A 25 7.359 -5.556 1.616 1.00 0.00 C ATOM 400 C LEU A 25 8.775 -4.997 1.535 1.00 0.00 C ATOM 401 O LEU A 25 9.026 -3.853 1.922 1.00 0.00 O ATOM 402 CB LEU A 25 6.496 -4.865 0.569 1.00 0.00 C ATOM 403 CG LEU A 25 5.061 -5.350 0.472 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.426 -4.796 -0.783 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.002 -6.858 0.478 1.00 0.00 C ATOM 0 H LEU A 25 5.965 -4.783 2.975 1.00 0.00 H new ATOM 0 HA LEU A 25 7.395 -6.628 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.485 -3.796 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.969 -4.991 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 25 4.507 -4.993 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.395 -5.144 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.440 -3.707 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.984 -5.137 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.964 -7.182 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.562 -7.247 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.438 -7.235 1.403 1.00 0.00 H new ATOM 417 N PRO A 26 9.722 -5.817 1.053 1.00 0.00 N ATOM 418 CA PRO A 26 11.085 -5.368 0.749 1.00 0.00 C ATOM 419 C PRO A 26 11.082 -4.253 -0.294 1.00 0.00 C ATOM 420 O PRO A 26 10.184 -4.208 -1.132 1.00 0.00 O ATOM 421 CB PRO A 26 11.760 -6.626 0.189 1.00 0.00 C ATOM 422 CG PRO A 26 10.951 -7.761 0.715 1.00 0.00 C ATOM 423 CD PRO A 26 9.544 -7.259 0.798 1.00 0.00 C ATOM 0 HA PRO A 26 11.594 -4.957 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.768 -6.618 -0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.798 -6.696 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.018 -8.627 0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.311 -8.077 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.995 -7.441 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.988 -7.745 1.600 1.00 0.00 H new ATOM 431 N GLY A 27 12.086 -3.373 -0.239 1.00 0.00 N ATOM 432 CA GLY A 27 12.131 -2.176 -1.080 1.00 0.00 C ATOM 433 C GLY A 27 11.713 -2.390 -2.531 1.00 0.00 C ATOM 434 O GLY A 27 10.969 -1.576 -3.084 1.00 0.00 O ATOM 0 H GLY A 27 12.886 -3.470 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.484 -1.417 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.146 -1.778 -1.065 1.00 0.00 H new ATOM 438 N GLU A 28 12.183 -3.470 -3.149 1.00 0.00 N ATOM 439 CA GLU A 28 11.836 -3.771 -4.536 1.00 0.00 C ATOM 440 C GLU A 28 10.323 -3.921 -4.691 1.00 0.00 C ATOM 441 O GLU A 28 9.699 -3.280 -5.541 1.00 0.00 O ATOM 442 CB GLU A 28 12.532 -5.056 -4.989 1.00 0.00 C ATOM 443 CG GLU A 28 12.324 -5.383 -6.460 1.00 0.00 C ATOM 444 CD GLU A 28 13.028 -4.406 -7.381 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.266 -4.497 -7.511 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.349 -3.545 -7.979 1.00 0.00 O ATOM 0 H GLU A 28 12.804 -4.151 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 28 12.173 -2.943 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.601 -4.967 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.166 -5.888 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.688 -6.391 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.257 -5.380 -6.681 1.00 0.00 H new ATOM 453 N LYS A 29 9.743 -4.756 -3.847 1.00 0.00 N ATOM 454 CA LYS A 29 8.313 -5.017 -3.866 1.00 0.00 C ATOM 455 C LYS A 29 7.541 -3.802 -3.373 1.00 0.00 C ATOM 456 O LYS A 29 6.437 -3.513 -3.830 1.00 0.00 O ATOM 457 CB LYS A 29 8.011 -6.216 -2.975 1.00 0.00 C ATOM 458 CG LYS A 29 8.568 -7.532 -3.500 1.00 0.00 C ATOM 459 CD LYS A 29 7.864 -7.968 -4.777 1.00 0.00 C ATOM 460 CE LYS A 29 8.195 -9.408 -5.148 1.00 0.00 C ATOM 461 NZ LYS A 29 7.637 -10.370 -4.165 1.00 0.00 N ATOM 0 H LYS A 29 10.250 -5.273 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 29 8.004 -5.229 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.420 -6.030 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.931 -6.309 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.636 -7.426 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.455 -8.305 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.786 -7.865 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.153 -7.307 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.798 -9.629 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.277 -9.530 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.405 -10.954 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.174 -9.849 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.940 -10.982 -4.635 1.00 0.00 H new ATOM 475 N LEU A 30 8.151 -3.108 -2.433 1.00 0.00 N ATOM 476 CA LEU A 30 7.581 -1.913 -1.830 1.00 0.00 C ATOM 477 C LEU A 30 7.346 -0.822 -2.866 1.00 0.00 C ATOM 478 O LEU A 30 6.304 -0.171 -2.845 1.00 0.00 O ATOM 479 CB LEU A 30 8.519 -1.420 -0.725 1.00 0.00 C ATOM 480 CG LEU A 30 8.073 -0.165 0.006 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.587 -0.221 0.323 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.884 -0.004 1.281 1.00 0.00 C ATOM 0 H LEU A 30 9.067 -3.358 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 30 6.609 -2.161 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.642 -2.220 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.500 -1.234 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 30 8.244 0.697 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.292 0.689 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.020 -0.306 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.382 -1.085 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.563 0.897 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.729 -0.871 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.942 0.079 1.031 1.00 0.00 H new ATOM 494 N GLY A 31 8.299 -0.636 -3.778 1.00 0.00 N ATOM 495 CA GLY A 31 8.164 0.394 -4.802 1.00 0.00 C ATOM 496 C GLY A 31 6.869 0.276 -5.591 1.00 0.00 C ATOM 497 O GLY A 31 6.364 1.270 -6.112 1.00 0.00 O ATOM 0 H GLY A 31 9.162 -1.178 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.209 1.376 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.009 0.331 -5.488 1.00 0.00 H new ATOM 501 N ARG A 32 6.324 -0.936 -5.669 1.00 0.00 N ATOM 502 CA ARG A 32 5.055 -1.160 -6.353 1.00 0.00 C ATOM 503 C ARG A 32 3.932 -0.396 -5.664 1.00 0.00 C ATOM 504 O ARG A 32 3.223 0.371 -6.300 1.00 0.00 O ATOM 505 CB ARG A 32 4.700 -2.650 -6.375 1.00 0.00 C ATOM 506 CG ARG A 32 3.448 -2.981 -7.187 1.00 0.00 C ATOM 507 CD ARG A 32 3.673 -2.723 -8.670 1.00 0.00 C ATOM 508 NE ARG A 32 4.807 -3.492 -9.187 1.00 0.00 N ATOM 509 CZ ARG A 32 5.661 -3.041 -10.104 1.00 0.00 C ATOM 510 NH1 ARG A 32 5.471 -1.853 -10.665 1.00 0.00 N ATOM 511 NH2 ARG A 32 6.696 -3.790 -10.473 1.00 0.00 N ATOM 0 H ARG A 32 6.741 -1.776 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 32 5.167 -0.802 -7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.543 -3.207 -6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.557 -2.994 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.177 -4.025 -7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.611 -2.379 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.772 -2.984 -9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.850 -1.660 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 32 4.952 -4.433 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.669 -1.283 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.127 -1.510 -11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.835 -4.709 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.350 -3.445 -11.175 1.00 0.00 H new ATOM 525 N VAL A 33 3.795 -0.596 -4.358 1.00 0.00 N ATOM 526 CA VAL A 33 2.676 -0.029 -3.605 1.00 0.00 C ATOM 527 C VAL A 33 2.756 1.485 -3.554 1.00 0.00 C ATOM 528 O VAL A 33 1.765 2.155 -3.828 1.00 0.00 O ATOM 529 CB VAL A 33 2.566 -0.603 -2.176 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.288 -1.422 -2.035 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.776 -1.448 -1.821 1.00 0.00 C ATOM 0 H VAL A 33 4.444 -1.147 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 33 1.773 -0.318 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 33 2.531 0.235 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.222 -1.822 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.425 -0.786 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.302 -2.245 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.665 -1.836 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.857 -2.280 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.676 -0.836 -1.878 1.00 0.00 H new ATOM 541 N VAL A 34 3.935 2.026 -3.234 1.00 0.00 N ATOM 542 CA VAL A 34 4.133 3.481 -3.261 1.00 0.00 C ATOM 543 C VAL A 34 3.675 4.028 -4.609 1.00 0.00 C ATOM 544 O VAL A 34 2.994 5.051 -4.685 1.00 0.00 O ATOM 545 CB VAL A 34 5.618 3.894 -2.985 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.525 2.695 -3.008 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.134 4.931 -3.979 1.00 0.00 C ATOM 0 H VAL A 34 4.757 1.489 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 34 3.535 3.910 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 34 5.626 4.344 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.550 3.010 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.211 1.987 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.472 2.217 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.168 5.181 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.083 4.524 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.520 5.830 -3.918 1.00 0.00 H new ATOM 557 N HIS A 35 4.034 3.307 -5.661 1.00 0.00 N ATOM 558 CA HIS A 35 3.619 3.657 -7.012 1.00 0.00 C ATOM 559 C HIS A 35 2.103 3.515 -7.181 1.00 0.00 C ATOM 560 O HIS A 35 1.463 4.403 -7.740 1.00 0.00 O ATOM 561 CB HIS A 35 4.358 2.795 -8.039 1.00 0.00 C ATOM 562 CG HIS A 35 4.066 3.163 -9.466 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.651 4.238 -10.099 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.246 2.595 -10.380 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.203 4.315 -11.338 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.349 3.329 -11.535 1.00 0.00 N ATOM 0 H HIS A 35 4.615 2.471 -5.604 1.00 0.00 H new ATOM 0 HA HIS A 35 3.878 4.702 -7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.431 2.879 -7.865 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.090 1.750 -7.882 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.625 1.725 -10.229 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.487 5.059 -12.067 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.847 3.143 -12.403 1.00 0.00 H new ATOM 575 N ILE A 36 1.538 2.405 -6.695 1.00 0.00 N ATOM 576 CA ILE A 36 0.099 2.153 -6.819 1.00 0.00 C ATOM 577 C ILE A 36 -0.711 3.302 -6.237 1.00 0.00 C ATOM 578 O ILE A 36 -1.541 3.885 -6.930 1.00 0.00 O ATOM 579 CB ILE A 36 -0.356 0.833 -6.138 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.381 -0.374 -6.729 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.865 0.657 -6.290 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.163 -1.714 -6.275 1.00 0.00 C ATOM 0 H ILE A 36 2.054 1.669 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.086 2.062 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.110 0.894 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.328 -0.322 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.435 -0.311 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.173 -0.271 -5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.378 1.496 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.122 0.620 -7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.412 -2.516 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.084 -1.790 -5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.209 -1.801 -6.570 1.00 0.00 H new ATOM 594 N ILE A 37 -0.459 3.644 -4.974 1.00 0.00 N ATOM 595 CA ILE A 37 -1.224 4.698 -4.318 1.00 0.00 C ATOM 596 C ILE A 37 -1.118 6.005 -5.098 1.00 0.00 C ATOM 597 O ILE A 37 -2.127 6.618 -5.433 1.00 0.00 O ATOM 598 CB ILE A 37 -0.782 4.958 -2.863 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.910 3.699 -2.009 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.640 6.060 -2.275 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.407 3.174 -1.498 1.00 0.00 C ATOM 0 H ILE A 37 0.259 3.212 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.255 4.344 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 37 0.267 5.256 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.560 3.912 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.397 2.921 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.334 6.250 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.518 6.969 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.686 5.755 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.235 2.279 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.053 2.928 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.888 3.934 -0.883 1.00 0.00 H new ATOM 613 N GLN A 38 0.109 6.405 -5.403 1.00 0.00 N ATOM 614 CA GLN A 38 0.363 7.638 -6.146 1.00 0.00 C ATOM 615 C GLN A 38 -0.371 7.661 -7.488 1.00 0.00 C ATOM 616 O GLN A 38 -0.798 8.719 -7.954 1.00 0.00 O ATOM 617 CB GLN A 38 1.867 7.819 -6.383 1.00 0.00 C ATOM 618 CG GLN A 38 2.661 8.171 -5.126 1.00 0.00 C ATOM 619 CD GLN A 38 3.930 8.964 -5.467 1.00 0.00 C ATOM 620 OE1 GLN A 38 4.457 8.825 -6.571 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.466 9.765 -4.537 1.00 0.00 N ATOM 0 H GLN A 38 0.952 5.891 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.016 8.461 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.270 6.900 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.015 8.604 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.036 8.755 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.933 7.257 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.013 9.866 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.327 10.274 -4.737 1.00 0.00 H new ATOM 630 N SER A 39 -0.508 6.499 -8.110 1.00 0.00 N ATOM 631 CA SER A 39 -1.145 6.389 -9.396 1.00 0.00 C ATOM 632 C SER A 39 -2.673 6.421 -9.285 1.00 0.00 C ATOM 633 O SER A 39 -3.353 6.880 -10.202 1.00 0.00 O ATOM 634 CB SER A 39 -0.681 5.096 -10.045 1.00 0.00 C ATOM 635 OG SER A 39 0.733 5.075 -10.173 1.00 0.00 O ATOM 0 H SER A 39 -0.178 5.612 -7.730 1.00 0.00 H new ATOM 0 HA SER A 39 -0.862 7.245 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.009 4.246 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.141 4.991 -11.028 1.00 0.00 H new ATOM 0 HG SER A 39 1.126 4.639 -9.388 1.00 0.00 H new ATOM 641 N ARG A 40 -3.212 5.959 -8.157 1.00 0.00 N ATOM 642 CA ARG A 40 -4.658 5.887 -7.994 1.00 0.00 C ATOM 643 C ARG A 40 -5.168 7.162 -7.350 1.00 0.00 C ATOM 644 O ARG A 40 -6.299 7.593 -7.581 1.00 0.00 O ATOM 645 CB ARG A 40 -5.046 4.683 -7.132 1.00 0.00 C ATOM 646 CG ARG A 40 -4.434 3.368 -7.601 1.00 0.00 C ATOM 647 CD ARG A 40 -5.181 2.176 -7.051 1.00 0.00 C ATOM 648 NE ARG A 40 -6.585 2.161 -7.456 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.174 1.137 -8.072 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.479 0.051 -8.390 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.460 1.206 -8.379 1.00 0.00 N ATOM 0 H ARG A 40 -2.675 5.633 -7.354 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.111 5.771 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.738 4.870 -6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.132 4.586 -7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.442 3.331 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.391 3.320 -7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.698 1.260 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.120 2.183 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.149 2.986 -7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.486 -0.004 -8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.938 -0.728 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.996 2.041 -8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.914 0.424 -8.851 1.00 0.00 H new ATOM 665 N GLU A 41 -4.331 7.737 -6.507 1.00 0.00 N ATOM 666 CA GLU A 41 -4.678 8.933 -5.773 1.00 0.00 C ATOM 667 C GLU A 41 -3.824 10.129 -6.187 1.00 0.00 C ATOM 668 O GLU A 41 -2.749 10.362 -5.631 1.00 0.00 O ATOM 669 CB GLU A 41 -4.497 8.610 -4.318 1.00 0.00 C ATOM 670 CG GLU A 41 -5.056 7.257 -4.031 1.00 0.00 C ATOM 671 CD GLU A 41 -6.472 7.293 -3.509 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.154 8.331 -3.686 1.00 0.00 O ATOM 673 OE2 GLU A 41 -6.920 6.283 -2.947 1.00 0.00 O ATOM 0 H GLU A 41 -3.393 7.386 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.707 9.223 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.439 8.640 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.998 9.359 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.027 6.659 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.420 6.756 -3.301 1.00 0.00 H new ATOM 680 N PRO A 42 -4.301 10.912 -7.169 1.00 0.00 N ATOM 681 CA PRO A 42 -3.585 12.092 -7.667 1.00 0.00 C ATOM 682 C PRO A 42 -3.380 13.157 -6.590 1.00 0.00 C ATOM 683 O PRO A 42 -2.537 14.043 -6.731 1.00 0.00 O ATOM 684 CB PRO A 42 -4.494 12.636 -8.774 1.00 0.00 C ATOM 685 CG PRO A 42 -5.384 11.502 -9.143 1.00 0.00 C ATOM 686 CD PRO A 42 -5.569 10.699 -7.890 1.00 0.00 C ATOM 0 HA PRO A 42 -2.583 11.830 -8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.072 13.492 -8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.911 12.974 -9.631 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.341 11.863 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.938 10.897 -9.932 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.425 11.046 -7.311 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.737 9.644 -8.108 1.00 0.00 H new ATOM 694 N SER A 43 -4.144 13.055 -5.510 1.00 0.00 N ATOM 695 CA SER A 43 -4.089 14.030 -4.428 1.00 0.00 C ATOM 696 C SER A 43 -2.782 13.922 -3.640 1.00 0.00 C ATOM 697 O SER A 43 -2.409 14.844 -2.915 1.00 0.00 O ATOM 698 CB SER A 43 -5.284 13.824 -3.498 1.00 0.00 C ATOM 699 OG SER A 43 -6.502 13.807 -4.231 1.00 0.00 O ATOM 0 H SER A 43 -4.814 12.301 -5.360 1.00 0.00 H new ATOM 0 HA SER A 43 -4.128 15.028 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.169 12.886 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.313 14.621 -2.755 1.00 0.00 H new ATOM 0 HG SER A 43 -7.252 13.672 -3.615 1.00 0.00 H new ATOM 705 N LEU A 44 -2.082 12.806 -3.792 1.00 0.00 N ATOM 706 CA LEU A 44 -0.842 12.587 -3.059 1.00 0.00 C ATOM 707 C LEU A 44 0.303 12.254 -4.005 1.00 0.00 C ATOM 708 O LEU A 44 1.366 11.806 -3.580 1.00 0.00 O ATOM 709 CB LEU A 44 -1.022 11.488 -1.999 1.00 0.00 C ATOM 710 CG LEU A 44 -1.546 10.135 -2.495 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.401 9.256 -2.975 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.327 9.442 -1.388 1.00 0.00 C ATOM 0 H LEU A 44 -2.349 12.042 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.587 13.513 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.061 11.323 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.706 11.859 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.213 10.308 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.796 8.301 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.120 9.752 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.294 9.084 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.696 8.482 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.676 9.281 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.170 10.066 -1.092 1.00 0.00 H new ATOM 724 N LYS A 45 0.100 12.501 -5.293 1.00 0.00 N ATOM 725 CA LYS A 45 1.152 12.246 -6.275 1.00 0.00 C ATOM 726 C LYS A 45 2.210 13.342 -6.200 1.00 0.00 C ATOM 727 O LYS A 45 3.239 13.284 -6.876 1.00 0.00 O ATOM 728 CB LYS A 45 0.578 12.144 -7.694 1.00 0.00 C ATOM 729 CG LYS A 45 0.210 13.472 -8.323 1.00 0.00 C ATOM 730 CD LYS A 45 -0.472 13.266 -9.659 1.00 0.00 C ATOM 731 CE LYS A 45 -0.385 14.513 -10.510 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.022 14.326 -11.839 1.00 0.00 N ATOM 0 H LYS A 45 -0.768 12.872 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 45 1.616 11.288 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.307 11.645 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.309 11.511 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.450 14.025 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.107 14.076 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.008 12.431 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.518 13.002 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.867 15.341 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.661 14.787 -10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.940 15.204 -12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.546 13.553 -12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.027 14.089 -11.712 1.00 0.00 H new ATOM 746 N ASN A 46 1.943 14.334 -5.359 1.00 0.00 N ATOM 747 CA ASN A 46 2.870 15.430 -5.128 1.00 0.00 C ATOM 748 C ASN A 46 3.753 15.143 -3.917 1.00 0.00 C ATOM 749 O ASN A 46 4.648 15.923 -3.590 1.00 0.00 O ATOM 750 CB ASN A 46 2.113 16.751 -4.935 1.00 0.00 C ATOM 751 CG ASN A 46 1.012 16.675 -3.888 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.068 15.878 -2.952 1.00 0.00 O ATOM 753 ND2 ASN A 46 -0.001 17.514 -4.037 1.00 0.00 N ATOM 0 H ASN A 46 1.079 14.399 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 46 3.508 15.524 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.822 17.528 -4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.677 17.053 -5.887 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.767 17.513 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.015 18.162 -4.825 1.00 0.00 H new ATOM 760 N SER A 47 3.490 14.026 -3.249 1.00 0.00 N ATOM 761 CA SER A 47 4.322 13.596 -2.143 1.00 0.00 C ATOM 762 C SER A 47 5.641 13.060 -2.684 1.00 0.00 C ATOM 763 O SER A 47 5.648 12.303 -3.657 1.00 0.00 O ATOM 764 CB SER A 47 3.605 12.516 -1.324 1.00 0.00 C ATOM 765 OG SER A 47 2.327 12.963 -0.906 1.00 0.00 O ATOM 0 H SER A 47 2.707 13.406 -3.457 1.00 0.00 H new ATOM 0 HA SER A 47 4.519 14.446 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.500 11.610 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.206 12.255 -0.453 1.00 0.00 H new ATOM 0 HG SER A 47 1.663 12.745 -1.593 1.00 0.00 H new ATOM 771 N ASN A 48 6.751 13.464 -2.071 1.00 0.00 N ATOM 772 CA ASN A 48 8.069 13.008 -2.507 1.00 0.00 C ATOM 773 C ASN A 48 8.107 11.489 -2.474 1.00 0.00 C ATOM 774 O ASN A 48 7.777 10.884 -1.458 1.00 0.00 O ATOM 775 CB ASN A 48 9.170 13.570 -1.598 1.00 0.00 C ATOM 776 CG ASN A 48 9.150 15.082 -1.515 1.00 0.00 C ATOM 777 OD1 ASN A 48 8.784 15.764 -2.471 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.549 15.615 -0.371 1.00 0.00 N ATOM 0 H ASN A 48 6.765 14.102 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 48 8.246 13.365 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.055 13.155 -0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.142 13.244 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.561 16.629 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.845 15.012 0.397 1.00 0.00 H new ATOM 785 N PRO A 49 8.508 10.849 -3.588 1.00 0.00 N ATOM 786 CA PRO A 49 8.462 9.388 -3.724 1.00 0.00 C ATOM 787 C PRO A 49 9.311 8.677 -2.684 1.00 0.00 C ATOM 788 O PRO A 49 9.106 7.500 -2.406 1.00 0.00 O ATOM 789 CB PRO A 49 9.015 9.127 -5.125 1.00 0.00 C ATOM 790 CG PRO A 49 9.763 10.366 -5.483 1.00 0.00 C ATOM 791 CD PRO A 49 9.048 11.493 -4.798 1.00 0.00 C ATOM 0 HA PRO A 49 7.451 9.009 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.669 8.255 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.212 8.932 -5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.800 10.304 -5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.780 10.513 -6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.725 12.312 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.257 11.909 -5.422 1.00 0.00 H new ATOM 799 N ASP A 50 10.250 9.403 -2.104 1.00 0.00 N ATOM 800 CA ASP A 50 11.122 8.857 -1.082 1.00 0.00 C ATOM 801 C ASP A 50 10.398 8.825 0.264 1.00 0.00 C ATOM 802 O ASP A 50 10.596 7.918 1.067 1.00 0.00 O ATOM 803 CB ASP A 50 12.394 9.705 -0.973 1.00 0.00 C ATOM 804 CG ASP A 50 12.917 10.159 -2.321 1.00 0.00 C ATOM 805 OD1 ASP A 50 12.466 11.218 -2.813 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.783 9.471 -2.893 1.00 0.00 O ATOM 0 H ASP A 50 10.428 10.382 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 50 11.396 7.839 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.190 10.579 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.167 9.128 -0.465 1.00 0.00 H new ATOM 811 N GLU A 51 9.510 9.793 0.464 1.00 0.00 N ATOM 812 CA GLU A 51 8.814 9.992 1.731 1.00 0.00 C ATOM 813 C GLU A 51 7.337 10.230 1.460 1.00 0.00 C ATOM 814 O GLU A 51 6.817 11.315 1.721 1.00 0.00 O ATOM 815 CB GLU A 51 9.395 11.212 2.459 1.00 0.00 C ATOM 816 CG GLU A 51 10.635 10.911 3.272 1.00 0.00 C ATOM 817 CD GLU A 51 11.369 12.163 3.691 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.935 12.821 4.660 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.388 12.500 3.053 1.00 0.00 O ATOM 0 H GLU A 51 9.250 10.468 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 51 8.940 9.106 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.633 11.981 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.632 11.626 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.355 10.344 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.304 10.279 2.688 1.00 0.00 H new ATOM 826 N ILE A 52 6.665 9.229 0.914 1.00 0.00 N ATOM 827 CA ILE A 52 5.312 9.426 0.432 1.00 0.00 C ATOM 828 C ILE A 52 4.320 9.494 1.584 1.00 0.00 C ATOM 829 O ILE A 52 4.459 8.787 2.585 1.00 0.00 O ATOM 830 CB ILE A 52 4.893 8.338 -0.578 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.461 7.069 0.114 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.044 8.020 -1.508 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.634 6.189 -0.787 1.00 0.00 C ATOM 0 H ILE A 52 7.030 8.284 0.795 1.00 0.00 H new ATOM 0 HA ILE A 52 5.300 10.383 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 52 4.048 8.730 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.342 6.520 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.885 7.320 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.737 7.251 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.332 8.920 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.893 7.660 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.345 5.287 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.739 6.727 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.219 5.916 -1.665 1.00 0.00 H new ATOM 845 N GLU A 53 3.337 10.367 1.441 1.00 0.00 N ATOM 846 CA GLU A 53 2.350 10.585 2.475 1.00 0.00 C ATOM 847 C GLU A 53 1.074 9.821 2.131 1.00 0.00 C ATOM 848 O GLU A 53 0.349 10.195 1.208 1.00 0.00 O ATOM 849 CB GLU A 53 2.043 12.083 2.579 1.00 0.00 C ATOM 850 CG GLU A 53 1.782 12.588 3.993 1.00 0.00 C ATOM 851 CD GLU A 53 0.919 11.659 4.819 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.306 11.604 4.579 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.474 10.994 5.720 1.00 0.00 O ATOM 0 H GLU A 53 3.204 10.940 0.608 1.00 0.00 H new ATOM 0 HA GLU A 53 2.737 10.228 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.880 12.641 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.171 12.304 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.736 12.731 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.301 13.564 3.938 1.00 0.00 H new ATOM 860 N ILE A 54 0.809 8.752 2.857 1.00 0.00 N ATOM 861 CA ILE A 54 -0.409 7.983 2.646 1.00 0.00 C ATOM 862 C ILE A 54 -1.386 8.223 3.777 1.00 0.00 C ATOM 863 O ILE A 54 -1.010 8.156 4.945 1.00 0.00 O ATOM 864 CB ILE A 54 -0.137 6.474 2.565 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.783 6.145 1.401 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.446 5.723 2.409 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.220 4.702 1.389 1.00 0.00 C ATOM 0 H ILE A 54 1.415 8.395 3.595 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.826 8.318 1.696 1.00 0.00 H new ATOM 0 HB ILE A 54 0.355 6.167 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.273 6.373 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.664 6.786 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.247 4.653 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.087 5.928 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.946 6.048 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.875 4.527 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.757 4.477 2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.344 4.057 1.313 1.00 0.00 H new ATOM 879 N ASP A 55 -2.639 8.481 3.439 1.00 0.00 N ATOM 880 CA ASP A 55 -3.660 8.649 4.455 1.00 0.00 C ATOM 881 C ASP A 55 -4.735 7.600 4.259 1.00 0.00 C ATOM 882 O ASP A 55 -5.608 7.746 3.404 1.00 0.00 O ATOM 883 CB ASP A 55 -4.267 10.050 4.409 1.00 0.00 C ATOM 884 CG ASP A 55 -5.156 10.311 5.604 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.313 9.844 5.609 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.691 10.972 6.558 1.00 0.00 O ATOM 0 H ASP A 55 -2.969 8.578 2.479 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.201 8.525 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.469 10.792 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.845 10.167 3.492 1.00 0.00 H new ATOM 891 N PHE A 56 -4.672 6.543 5.055 1.00 0.00 N ATOM 892 CA PHE A 56 -5.503 5.367 4.846 1.00 0.00 C ATOM 893 C PHE A 56 -6.996 5.637 5.042 1.00 0.00 C ATOM 894 O PHE A 56 -7.828 4.774 4.762 1.00 0.00 O ATOM 895 CB PHE A 56 -5.028 4.230 5.742 1.00 0.00 C ATOM 896 CG PHE A 56 -4.137 3.278 5.010 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.789 3.541 4.836 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.663 2.134 4.460 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.991 2.665 4.123 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.876 1.261 3.754 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.540 1.521 3.580 1.00 0.00 C ATOM 0 H PHE A 56 -4.048 6.476 5.859 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.390 5.077 3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.494 4.642 6.598 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.891 3.691 6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.358 4.436 5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.714 1.919 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.940 2.876 3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.309 0.366 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.921 0.834 3.021 1.00 0.00 H new ATOM 911 N GLU A 57 -7.339 6.831 5.499 1.00 0.00 N ATOM 912 CA GLU A 57 -8.733 7.214 5.645 1.00 0.00 C ATOM 913 C GLU A 57 -9.243 7.916 4.394 1.00 0.00 C ATOM 914 O GLU A 57 -10.447 8.094 4.212 1.00 0.00 O ATOM 915 CB GLU A 57 -8.895 8.106 6.866 1.00 0.00 C ATOM 916 CG GLU A 57 -8.742 7.357 8.176 1.00 0.00 C ATOM 917 CD GLU A 57 -9.905 6.425 8.442 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.967 5.342 7.822 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.768 6.772 9.275 1.00 0.00 O ATOM 0 H GLU A 57 -6.671 7.551 5.775 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.329 6.312 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.156 8.907 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.878 8.577 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.816 6.783 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.658 8.073 8.994 1.00 0.00 H new ATOM 926 N THR A 58 -8.326 8.291 3.523 1.00 0.00 N ATOM 927 CA THR A 58 -8.685 9.026 2.322 1.00 0.00 C ATOM 928 C THR A 58 -8.494 8.190 1.062 1.00 0.00 C ATOM 929 O THR A 58 -8.974 8.560 -0.009 1.00 0.00 O ATOM 930 CB THR A 58 -7.877 10.330 2.207 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.471 10.044 2.196 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.202 11.251 3.370 1.00 0.00 C ATOM 0 H THR A 58 -7.329 8.100 3.623 1.00 0.00 H new ATOM 0 HA THR A 58 -9.744 9.270 2.410 1.00 0.00 H new ATOM 0 HB THR A 58 -8.147 10.824 1.273 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.321 9.130 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.624 12.171 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.266 11.488 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.949 10.756 4.308 1.00 0.00 H new ATOM 940 N LEU A 59 -7.800 7.064 1.180 1.00 0.00 N ATOM 941 CA LEU A 59 -7.573 6.208 0.020 1.00 0.00 C ATOM 942 C LEU A 59 -8.888 5.577 -0.407 1.00 0.00 C ATOM 943 O LEU A 59 -9.704 5.191 0.434 1.00 0.00 O ATOM 944 CB LEU A 59 -6.561 5.092 0.304 1.00 0.00 C ATOM 945 CG LEU A 59 -5.385 5.461 1.205 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.422 4.286 1.324 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.676 6.714 0.699 1.00 0.00 C ATOM 0 H LEU A 59 -7.391 6.726 2.051 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.165 6.838 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.092 4.256 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.165 4.738 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.770 5.687 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.588 4.563 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.944 3.430 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.044 4.023 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.843 6.953 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.300 6.537 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.378 7.548 0.684 1.00 0.00 H new ATOM 959 N LYS A 60 -9.084 5.492 -1.707 1.00 0.00 N ATOM 960 CA LYS A 60 -10.259 4.859 -2.275 1.00 0.00 C ATOM 961 C LYS A 60 -10.282 3.380 -1.896 1.00 0.00 C ATOM 962 O LYS A 60 -9.228 2.756 -1.741 1.00 0.00 O ATOM 963 CB LYS A 60 -10.234 5.008 -3.798 1.00 0.00 C ATOM 964 CG LYS A 60 -10.106 6.447 -4.279 1.00 0.00 C ATOM 965 CD LYS A 60 -10.139 6.525 -5.797 1.00 0.00 C ATOM 966 CE LYS A 60 -9.884 7.939 -6.292 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.486 8.385 -6.036 1.00 0.00 N ATOM 0 H LYS A 60 -8.433 5.860 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.155 5.339 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.401 4.428 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.147 4.578 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.917 7.045 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.174 6.875 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.388 5.853 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.109 6.182 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.089 7.989 -7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.577 8.623 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.370 9.366 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.285 8.331 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.825 7.770 -6.552 1.00 0.00 H new ATOM 981 N PRO A 61 -11.483 2.804 -1.732 1.00 0.00 N ATOM 982 CA PRO A 61 -11.639 1.384 -1.405 1.00 0.00 C ATOM 983 C PRO A 61 -10.943 0.484 -2.425 1.00 0.00 C ATOM 984 O PRO A 61 -10.452 -0.595 -2.085 1.00 0.00 O ATOM 985 CB PRO A 61 -13.154 1.155 -1.438 1.00 0.00 C ATOM 986 CG PRO A 61 -13.777 2.508 -1.314 1.00 0.00 C ATOM 987 CD PRO A 61 -12.777 3.503 -1.839 1.00 0.00 C ATOM 0 HA PRO A 61 -11.189 1.141 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.455 0.670 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.468 0.504 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.706 2.558 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.027 2.724 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.995 3.781 -2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.783 4.422 -1.252 1.00 0.00 H new ATOM 995 N SER A 62 -10.890 0.942 -3.669 1.00 0.00 N ATOM 996 CA SER A 62 -10.219 0.203 -4.727 1.00 0.00 C ATOM 997 C SER A 62 -8.708 0.248 -4.537 1.00 0.00 C ATOM 998 O SER A 62 -8.015 -0.745 -4.771 1.00 0.00 O ATOM 999 CB SER A 62 -10.606 0.762 -6.100 1.00 0.00 C ATOM 1000 OG SER A 62 -10.505 2.176 -6.122 1.00 0.00 O ATOM 0 H SER A 62 -11.305 1.824 -3.969 1.00 0.00 H new ATOM 0 HA SER A 62 -10.539 -0.838 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.957 0.336 -6.866 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.626 0.463 -6.344 1.00 0.00 H new ATOM 0 HG SER A 62 -10.755 2.508 -7.009 1.00 0.00 H new ATOM 1006 N THR A 63 -8.207 1.400 -4.101 1.00 0.00 N ATOM 1007 CA THR A 63 -6.796 1.556 -3.788 1.00 0.00 C ATOM 1008 C THR A 63 -6.413 0.576 -2.688 1.00 0.00 C ATOM 1009 O THR A 63 -5.473 -0.198 -2.836 1.00 0.00 O ATOM 1010 CB THR A 63 -6.470 2.999 -3.328 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.248 3.935 -4.082 1.00 0.00 O ATOM 1012 CG2 THR A 63 -4.998 3.319 -3.525 1.00 0.00 C ATOM 0 H THR A 63 -8.764 2.242 -3.957 1.00 0.00 H new ATOM 0 HA THR A 63 -6.224 1.353 -4.693 1.00 0.00 H new ATOM 0 HB THR A 63 -6.709 3.074 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.168 4.825 -3.680 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.800 4.338 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.393 2.624 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.743 3.225 -4.581 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.190 0.585 -1.610 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.951 -0.294 -0.470 1.00 0.00 C ATOM 1022 C LEU A 64 -6.946 -1.762 -0.880 1.00 0.00 C ATOM 1023 O LEU A 64 -6.085 -2.527 -0.457 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.016 -0.064 0.608 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.928 1.278 1.332 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.126 1.491 2.245 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.653 1.348 2.138 1.00 0.00 C ATOM 0 H LEU A 64 -7.998 1.198 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.966 -0.051 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.000 -0.146 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.942 -0.863 1.346 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.927 2.067 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.035 2.455 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.042 1.475 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.161 0.696 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.599 2.308 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.643 0.543 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.796 1.243 1.473 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.885 -2.149 -1.726 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.009 -3.547 -2.113 1.00 0.00 C ATOM 1041 C ARG A 65 -6.966 -3.920 -3.156 1.00 0.00 C ATOM 1042 O ARG A 65 -6.736 -5.095 -3.413 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.421 -3.854 -2.617 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.363 -4.396 -1.540 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.843 -5.665 -0.875 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.810 -6.180 0.096 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.552 -7.125 1.000 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.352 -7.681 1.070 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.503 -7.509 1.844 1.00 0.00 N ATOM 0 H ARG A 65 -8.567 -1.524 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.829 -4.156 -1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.851 -2.945 -3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.356 -4.580 -3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.515 -3.630 -0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.337 -4.599 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.644 -6.422 -1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.896 -5.457 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.751 -5.787 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.615 -7.387 0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.164 -8.403 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.428 -7.081 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.309 -8.232 2.537 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.329 -2.920 -3.748 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.225 -3.158 -4.657 1.00 0.00 C ATOM 1065 C GLU A 66 -3.927 -3.271 -3.868 1.00 0.00 C ATOM 1066 O GLU A 66 -3.102 -4.147 -4.123 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.147 -2.030 -5.687 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.949 -2.117 -6.616 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.001 -3.326 -7.527 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.609 -4.430 -7.097 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.438 -3.177 -8.686 1.00 0.00 O ATOM 0 H GLU A 66 -6.561 -1.936 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.385 -4.095 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.058 -2.036 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.117 -1.075 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.898 -1.213 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.036 -2.154 -6.022 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.782 -2.404 -2.874 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.612 -2.400 -2.021 1.00 0.00 C ATOM 1080 C LEU A 67 -2.566 -3.712 -1.246 1.00 0.00 C ATOM 1081 O LEU A 67 -1.563 -4.424 -1.248 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.700 -1.212 -1.052 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.869 0.156 -1.714 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.965 1.251 -0.662 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.732 0.431 -2.681 1.00 0.00 C ATOM 0 H LEU A 67 -4.471 -1.689 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.705 -2.303 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.539 -1.377 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.797 -1.194 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.799 0.149 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.085 2.217 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.824 1.062 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.055 1.259 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.873 1.409 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.785 0.416 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.720 -0.335 -3.456 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.702 -4.043 -0.636 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.829 -5.231 0.204 1.00 0.00 C ATOM 1099 C GLU A 68 -3.686 -6.512 -0.610 1.00 0.00 C ATOM 1100 O GLU A 68 -2.853 -7.364 -0.290 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.180 -5.218 0.929 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.456 -6.448 1.780 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.159 -7.560 1.024 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.928 -7.256 0.087 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.951 -8.742 1.370 1.00 0.00 O ATOM 0 H GLU A 68 -4.559 -3.496 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.022 -5.210 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.227 -4.334 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.974 -5.120 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.513 -6.827 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.066 -6.159 2.636 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.514 -6.657 -1.647 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.478 -7.854 -2.490 1.00 0.00 C ATOM 1114 C ARG A 69 -3.070 -8.130 -3.011 1.00 0.00 C ATOM 1115 O ARG A 69 -2.654 -9.285 -3.140 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.437 -7.718 -3.666 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.525 -8.977 -4.499 1.00 0.00 C ATOM 1118 CD ARG A 69 -6.095 -8.692 -5.881 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.366 -7.624 -6.574 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.379 -7.445 -7.895 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -6.071 -8.268 -8.674 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.711 -6.435 -8.435 1.00 0.00 N ATOM 0 H ARG A 69 -5.212 -5.966 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.788 -8.694 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.429 -7.465 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.114 -6.891 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.534 -9.420 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.152 -9.709 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.060 -9.601 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.144 -8.412 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.814 -6.978 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.595 -9.040 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.079 -8.128 -9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.186 -5.794 -7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.722 -6.299 -9.446 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.334 -7.070 -3.279 1.00 0.00 N ATOM 1137 CA TYR A 70 -1.000 -7.205 -3.842 1.00 0.00 C ATOM 1138 C TYR A 70 0.007 -7.627 -2.776 1.00 0.00 C ATOM 1139 O TYR A 70 0.774 -8.568 -2.975 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.553 -5.902 -4.510 1.00 0.00 C ATOM 1141 CG TYR A 70 0.940 -5.829 -4.731 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.552 -6.482 -5.794 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.737 -5.120 -3.851 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.920 -6.424 -5.970 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.107 -5.058 -4.017 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.692 -5.714 -5.077 1.00 0.00 C ATOM 1147 OH TYR A 70 5.057 -5.661 -5.241 1.00 0.00 O ATOM 0 H TYR A 70 -2.633 -6.108 -3.118 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.040 -7.986 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.061 -5.800 -5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.864 -5.059 -3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.949 -7.043 -6.492 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.280 -4.605 -3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.382 -6.932 -6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.715 -4.499 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 70 5.420 -4.913 -4.723 1.00 0.00 H new ATOM 1157 N VAL A 71 0.003 -6.938 -1.645 1.00 0.00 N ATOM 1158 CA VAL A 71 0.968 -7.217 -0.591 1.00 0.00 C ATOM 1159 C VAL A 71 0.767 -8.608 -0.015 1.00 0.00 C ATOM 1160 O VAL A 71 1.732 -9.335 0.191 1.00 0.00 O ATOM 1161 CB VAL A 71 0.900 -6.187 0.544 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.211 -4.800 0.033 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.451 -6.206 1.216 1.00 0.00 C ATOM 0 H VAL A 71 -0.653 -6.186 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 71 1.953 -7.155 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 71 1.653 -6.461 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.156 -4.088 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.214 -4.786 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.487 -4.524 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.470 -5.466 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.224 -5.970 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.636 -7.196 1.633 1.00 0.00 H new ATOM 1173 N THR A 72 -0.487 -8.981 0.218 1.00 0.00 N ATOM 1174 CA THR A 72 -0.807 -10.287 0.772 1.00 0.00 C ATOM 1175 C THR A 72 -0.292 -11.390 -0.155 1.00 0.00 C ATOM 1176 O THR A 72 0.089 -12.471 0.292 1.00 0.00 O ATOM 1177 CB THR A 72 -2.330 -10.428 1.024 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.603 -11.572 1.845 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.097 -10.555 -0.275 1.00 0.00 C ATOM 0 H THR A 72 -1.299 -8.393 0.030 1.00 0.00 H new ATOM 0 HA THR A 72 -0.309 -10.388 1.736 1.00 0.00 H new ATOM 0 HB THR A 72 -2.657 -9.523 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.537 -11.548 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.161 -10.652 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.929 -9.667 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.754 -11.437 -0.816 1.00 0.00 H new ATOM 1187 N SER A 73 -0.238 -11.077 -1.445 1.00 0.00 N ATOM 1188 CA SER A 73 0.313 -11.979 -2.444 1.00 0.00 C ATOM 1189 C SER A 73 1.807 -12.200 -2.196 1.00 0.00 C ATOM 1190 O SER A 73 2.345 -13.272 -2.467 1.00 0.00 O ATOM 1191 CB SER A 73 0.103 -11.380 -3.836 1.00 0.00 C ATOM 1192 OG SER A 73 0.324 -12.341 -4.854 1.00 0.00 O ATOM 0 H SER A 73 -0.575 -10.192 -1.825 1.00 0.00 H new ATOM 0 HA SER A 73 -0.197 -12.940 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.912 -10.990 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.780 -10.537 -3.977 1.00 0.00 H new ATOM 0 HG SER A 73 0.180 -11.928 -5.731 1.00 0.00 H new ATOM 1198 N CYS A 74 2.463 -11.174 -1.676 1.00 0.00 N ATOM 1199 CA CYS A 74 3.899 -11.215 -1.430 1.00 0.00 C ATOM 1200 C CYS A 74 4.211 -11.777 -0.041 1.00 0.00 C ATOM 1201 O CYS A 74 5.073 -12.641 0.106 1.00 0.00 O ATOM 1202 CB CYS A 74 4.495 -9.813 -1.578 1.00 0.00 C ATOM 1203 SG CYS A 74 6.280 -9.741 -1.298 1.00 0.00 S ATOM 0 H CYS A 74 2.020 -10.294 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 74 4.350 -11.878 -2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.279 -9.441 -2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.000 -9.143 -0.876 1.00 0.00 H new ATOM 0 HG CYS A 74 6.659 -10.795 -0.638 1.00 0.00 H new ATOM 1209 N LEU A 75 3.517 -11.273 0.974 1.00 0.00 N ATOM 1210 CA LEU A 75 3.697 -11.739 2.350 1.00 0.00 C ATOM 1211 C LEU A 75 3.510 -13.249 2.452 1.00 0.00 C ATOM 1212 O LEU A 75 4.146 -13.913 3.266 1.00 0.00 O ATOM 1213 CB LEU A 75 2.689 -11.060 3.277 1.00 0.00 C ATOM 1214 CG LEU A 75 2.385 -9.610 2.956 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.194 -9.141 3.758 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.598 -8.751 3.241 1.00 0.00 C ATOM 0 H LEU A 75 2.819 -10.536 0.871 1.00 0.00 H new ATOM 0 HA LEU A 75 4.713 -11.483 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.757 -11.624 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.064 -11.117 4.299 1.00 0.00 H new ATOM 0 HG LEU A 75 2.142 -9.521 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.983 -8.098 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.326 -9.752 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.412 -9.234 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.370 -7.711 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.865 -8.836 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.434 -9.086 2.627 1.00 0.00 H new ATOM 1228 N ARG A 76 2.630 -13.787 1.623 1.00 0.00 N ATOM 1229 CA ARG A 76 2.277 -15.194 1.701 1.00 0.00 C ATOM 1230 C ARG A 76 3.006 -16.027 0.654 1.00 0.00 C ATOM 1231 O ARG A 76 2.904 -17.255 0.644 1.00 0.00 O ATOM 1232 CB ARG A 76 0.766 -15.339 1.564 1.00 0.00 C ATOM 1233 CG ARG A 76 0.018 -14.739 2.740 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.392 -14.329 2.364 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.206 -15.452 1.910 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.405 -15.312 1.350 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.908 -14.098 1.133 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -4.096 -16.386 0.995 1.00 0.00 N ATOM 0 H ARG A 76 2.147 -13.270 0.888 1.00 0.00 H new ATOM 0 HA ARG A 76 2.593 -15.576 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.439 -14.855 0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.512 -16.395 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.019 -15.463 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.562 -13.870 3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.872 -13.863 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.349 -13.576 1.577 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.836 -16.395 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.374 -13.270 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.828 -13.996 0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.708 -17.316 1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.015 -16.282 0.566 1.00 0.00 H new ATOM 1252 N LYS A 77 3.760 -15.360 -0.204 1.00 0.00 N ATOM 1253 CA LYS A 77 4.502 -16.039 -1.267 1.00 0.00 C ATOM 1254 C LYS A 77 5.844 -15.366 -1.530 1.00 0.00 C ATOM 1255 O LYS A 77 5.888 -14.226 -1.993 1.00 0.00 O ATOM 1256 CB LYS A 77 3.688 -16.069 -2.561 1.00 0.00 C ATOM 1257 CG LYS A 77 2.555 -17.072 -2.529 1.00 0.00 C ATOM 1258 CD LYS A 77 1.589 -16.867 -3.684 1.00 0.00 C ATOM 1259 CE LYS A 77 0.426 -17.845 -3.627 1.00 0.00 C ATOM 1260 NZ LYS A 77 0.878 -19.259 -3.718 1.00 0.00 N ATOM 0 H LYS A 77 3.878 -14.347 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 77 4.685 -17.059 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.280 -15.076 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.350 -16.305 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.962 -18.082 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.017 -16.983 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.207 -15.846 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.120 -16.988 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.124 -17.700 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.266 -17.633 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.055 -19.878 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.534 -19.363 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.361 -19.526 -2.837 1.00 0.00 H new ATOM 1274 N LYS A 78 6.930 -16.086 -1.246 1.00 0.00 N ATOM 1275 CA LYS A 78 8.285 -15.600 -1.497 1.00 0.00 C ATOM 1276 C LYS A 78 8.542 -14.278 -0.763 1.00 0.00 C ATOM 1277 O LYS A 78 8.668 -13.221 -1.382 1.00 0.00 O ATOM 1278 CB LYS A 78 8.498 -15.428 -3.006 1.00 0.00 C ATOM 1279 CG LYS A 78 9.881 -15.832 -3.508 1.00 0.00 C ATOM 1280 CD LYS A 78 10.994 -15.104 -2.771 1.00 0.00 C ATOM 1281 CE LYS A 78 12.358 -15.399 -3.375 1.00 0.00 C ATOM 1282 NZ LYS A 78 12.662 -16.853 -3.390 1.00 0.00 N ATOM 0 H LYS A 78 6.894 -17.020 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 78 8.995 -16.334 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.749 -16.018 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.323 -14.384 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.010 -16.908 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.955 -15.620 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.808 -14.030 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.989 -15.400 -1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.394 -15.011 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.126 -14.875 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.649 -16.998 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.521 -17.247 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.028 -17.333 -4.060 1.00 0.00 H new ATOM 1296 N ARG A 79 8.637 -14.344 0.557 1.00 0.00 N ATOM 1297 CA ARG A 79 8.885 -13.153 1.365 1.00 0.00 C ATOM 1298 C ARG A 79 10.322 -13.145 1.875 1.00 0.00 C ATOM 1299 O ARG A 79 10.600 -12.743 3.004 1.00 0.00 O ATOM 1300 CB ARG A 79 7.899 -13.049 2.541 1.00 0.00 C ATOM 1301 CG ARG A 79 7.852 -14.280 3.438 1.00 0.00 C ATOM 1302 CD ARG A 79 6.853 -15.306 2.932 1.00 0.00 C ATOM 1303 NE ARG A 79 6.872 -16.535 3.722 1.00 0.00 N ATOM 1304 CZ ARG A 79 5.777 -17.167 4.145 1.00 0.00 C ATOM 1305 NH1 ARG A 79 4.577 -16.635 3.948 1.00 0.00 N ATOM 1306 NH2 ARG A 79 5.886 -18.317 4.794 1.00 0.00 N ATOM 0 H ARG A 79 8.547 -15.207 1.093 1.00 0.00 H new ATOM 0 HA ARG A 79 8.731 -12.283 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.166 -12.184 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.900 -12.865 2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.843 -14.731 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.585 -13.982 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.851 -14.877 2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.074 -15.542 1.891 1.00 0.00 H new ATOM 0 HE ARG A 79 7.779 -16.934 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.489 -15.738 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.743 -17.123 4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.807 -18.718 4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.049 -18.801 5.118 1.00 0.00 H new ATOM 1320 N LYS A 80 11.228 -13.585 1.021 1.00 0.00 N ATOM 1321 CA LYS A 80 12.639 -13.664 1.366 1.00 0.00 C ATOM 1322 C LYS A 80 13.509 -13.280 0.165 1.00 0.00 C ATOM 1323 O LYS A 80 14.066 -14.143 -0.513 1.00 0.00 O ATOM 1324 CB LYS A 80 12.988 -15.074 1.863 1.00 0.00 C ATOM 1325 CG LYS A 80 12.545 -16.195 0.931 1.00 0.00 C ATOM 1326 CD LYS A 80 12.957 -17.561 1.456 1.00 0.00 C ATOM 1327 CE LYS A 80 14.471 -17.696 1.540 1.00 0.00 C ATOM 1328 NZ LYS A 80 14.882 -19.025 2.066 1.00 0.00 N ATOM 0 H LYS A 80 11.010 -13.896 0.074 1.00 0.00 H new ATOM 0 HA LYS A 80 12.840 -12.956 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.067 -15.140 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.529 -15.226 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.462 -16.163 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.979 -16.039 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.522 -17.718 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.558 -18.338 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.904 -17.548 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.870 -16.912 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.920 -19.076 2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.490 -19.157 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.523 -19.773 1.438 1.00 0.00 H new ATOM 1342 N PRO A 81 13.627 -11.975 -0.125 1.00 0.00 N ATOM 1343 CA PRO A 81 14.439 -11.488 -1.245 1.00 0.00 C ATOM 1344 C PRO A 81 15.933 -11.565 -0.956 1.00 0.00 C ATOM 1345 O PRO A 81 16.350 -11.745 0.191 1.00 0.00 O ATOM 1346 CB PRO A 81 14.010 -10.031 -1.374 1.00 0.00 C ATOM 1347 CG PRO A 81 13.652 -9.647 0.013 1.00 0.00 C ATOM 1348 CD PRO A 81 12.987 -10.859 0.603 1.00 0.00 C ATOM 0 HA PRO A 81 14.288 -12.083 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.815 -9.410 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.163 -9.921 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.537 -9.367 0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.982 -8.787 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.155 -10.929 1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.908 -10.843 0.449 1.00 0.00 H new ATOM 1356 N GLN A 82 16.730 -11.423 -1.999 1.00 0.00 N ATOM 1357 CA GLN A 82 18.175 -11.454 -1.867 1.00 0.00 C ATOM 1358 C GLN A 82 18.753 -10.095 -2.255 1.00 0.00 C ATOM 1359 O GLN A 82 19.967 -9.904 -2.323 1.00 0.00 O ATOM 1360 CB GLN A 82 18.745 -12.575 -2.744 1.00 0.00 C ATOM 1361 CG GLN A 82 20.211 -12.888 -2.492 1.00 0.00 C ATOM 1362 CD GLN A 82 20.503 -13.283 -1.056 1.00 0.00 C ATOM 1363 OE1 GLN A 82 19.535 -13.889 -0.387 1.00 0.00 O flip ATOM 1364 NE2 GLN A 82 21.599 -13.046 -0.552 1.00 0.00 N flip ATOM 0 H GLN A 82 16.398 -11.284 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 82 18.452 -11.657 -0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.160 -13.480 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.620 -12.299 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 82 20.522 -13.696 -3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 82 20.811 -12.016 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 82 22.321 -12.577 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.786 -13.318 0.413 1.00 0.00 H new ATOM 1373 N ALA A 83 17.858 -9.147 -2.496 1.00 0.00 N ATOM 1374 CA ALA A 83 18.239 -7.796 -2.866 1.00 0.00 C ATOM 1375 C ALA A 83 17.303 -6.790 -2.210 1.00 0.00 C ATOM 1376 O ALA A 83 17.725 -6.114 -1.249 1.00 0.00 O ATOM 1377 CB ALA A 83 18.223 -7.635 -4.380 1.00 0.00 C ATOM 1378 OXT ALA A 83 16.135 -6.700 -2.639 1.00 0.00 O ATOM 0 H ALA A 83 16.850 -9.295 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 83 19.253 -7.608 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 83 18.511 -6.617 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 83 18.926 -8.337 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.220 -7.836 -4.757 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.297 8.605 13.030 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.593 8.839 11.751 1.00 0.00 C ATOM 1387 C GLU B 201 -4.628 7.701 11.458 1.00 0.00 C ATOM 1388 O GLU B 201 -3.978 7.179 12.365 1.00 0.00 O ATOM 1389 CB GLU B 201 -4.833 10.164 11.796 1.00 0.00 C ATOM 1390 CG GLU B 201 -5.737 11.383 11.851 1.00 0.00 C ATOM 1391 CD GLU B 201 -4.959 12.671 11.990 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -4.181 13.003 11.074 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -5.108 13.352 13.021 1.00 0.00 O ATOM 0 HA GLU B 201 -6.337 8.884 10.955 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -4.178 10.168 12.668 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -4.193 10.236 10.916 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -6.343 11.424 10.946 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -6.425 11.285 12.691 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.546 7.312 10.193 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.640 6.255 9.767 1.00 0.00 C ATOM 1404 C ILE B 202 -2.793 6.732 8.589 1.00 0.00 C ATOM 1405 O ILE B 202 -3.226 6.683 7.436 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.405 4.970 9.359 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.217 4.419 10.535 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.435 3.907 8.848 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.367 3.929 11.685 1.00 0.00 C ATOM 0 H ILE B 202 -5.101 7.717 9.439 1.00 0.00 H new ATOM 0 HA ILE B 202 -2.998 6.016 10.615 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.095 5.231 8.557 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -5.889 5.197 10.897 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.841 3.599 10.181 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.991 3.013 8.567 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.900 4.290 7.979 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.721 3.658 9.633 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.012 3.554 12.480 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.714 3.128 11.339 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.762 4.751 12.066 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.598 7.220 8.889 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.677 7.671 7.853 1.00 0.00 C ATOM 1423 C LYS B 203 0.407 6.623 7.622 1.00 0.00 C ATOM 1424 O LYS B 203 0.890 6.007 8.575 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.021 8.999 8.244 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.003 10.118 8.544 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.280 11.404 8.914 1.00 0.00 C ATOM 1428 CE LYS B 203 -1.238 12.430 9.496 1.00 0.00 C ATOM 1429 NZ LYS B 203 -1.754 12.012 10.826 1.00 0.00 N ATOM 0 H LYS B 203 -1.243 7.314 9.840 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.248 7.817 6.936 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.606 8.837 9.121 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.638 9.317 7.436 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.636 10.292 7.674 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.659 9.819 9.361 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.506 11.186 9.637 1.00 0.00 H new ATOM 0 HD3 LYS B 203 0.206 11.818 8.030 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -0.730 13.390 9.589 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -2.074 12.576 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -2.790 11.932 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -1.345 11.091 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -1.488 12.720 11.540 1.00 0.00 H new ATOM 1443 N LEU B 204 0.783 6.421 6.367 1.00 0.00 N ATOM 1444 CA LEU B 204 1.876 5.512 6.042 1.00 0.00 C ATOM 1445 C LEU B 204 2.957 6.260 5.278 1.00 0.00 C ATOM 1446 O LEU B 204 2.856 6.452 4.066 1.00 0.00 O ATOM 1447 CB LEU B 204 1.397 4.321 5.198 1.00 0.00 C ATOM 1448 CG LEU B 204 2.076 2.971 5.507 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.731 1.943 4.443 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.589 3.105 5.629 1.00 0.00 C ATOM 0 H LEU B 204 0.351 6.871 5.560 1.00 0.00 H new ATOM 0 HA LEU B 204 2.273 5.127 6.981 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.322 4.208 5.339 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.558 4.556 4.146 1.00 0.00 H new ATOM 0 HG LEU B 204 1.694 2.635 6.471 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.219 0.997 4.679 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.651 1.797 4.415 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.075 2.296 3.471 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.024 2.130 5.847 1.00 0.00 H new ATOM 0 HD22 LEU B 204 3.997 3.483 4.692 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.829 3.798 6.436 1.00 0.00 H new ATOM 1462 N LYS B 205 3.979 6.687 5.989 1.00 0.00 N ATOM 1463 CA LYS B 205 5.130 7.309 5.364 1.00 0.00 C ATOM 1464 C LYS B 205 6.091 6.249 4.860 1.00 0.00 C ATOM 1465 O LYS B 205 7.151 6.044 5.451 1.00 0.00 O ATOM 1466 CB LYS B 205 5.862 8.213 6.355 1.00 0.00 C ATOM 1467 CG LYS B 205 5.183 9.544 6.605 1.00 0.00 C ATOM 1468 CD LYS B 205 5.142 10.388 5.345 1.00 0.00 C ATOM 1469 CE LYS B 205 4.966 11.856 5.675 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.855 12.078 6.643 1.00 0.00 N ATOM 0 H LYS B 205 4.037 6.615 7.005 1.00 0.00 H new ATOM 0 HA LYS B 205 4.773 7.909 4.527 1.00 0.00 H new ATOM 0 HB2 LYS B 205 5.962 7.686 7.304 1.00 0.00 H new ATOM 0 HB3 LYS B 205 6.870 8.397 5.984 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.168 9.375 6.965 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.714 10.084 7.389 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.063 10.247 4.780 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.323 10.055 4.707 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.894 12.248 6.091 1.00 0.00 H new ATOM 0 HE3 LYS B 205 4.767 12.413 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.598 13.086 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.030 11.512 6.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.161 11.791 7.595 1.00 0.00 H new ATOM 1484 N ILE B 206 5.730 5.557 3.782 1.00 0.00 N ATOM 1485 CA ILE B 206 6.636 4.569 3.231 1.00 0.00 C ATOM 1486 C ILE B 206 7.899 5.269 2.766 1.00 0.00 C ATOM 1487 O ILE B 206 7.882 6.000 1.769 1.00 0.00 O ATOM 1488 CB ILE B 206 6.096 3.773 2.028 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.605 3.494 2.088 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.809 2.450 1.994 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.077 2.876 0.807 1.00 0.00 C ATOM 0 H ILE B 206 4.843 5.661 3.289 1.00 0.00 H new ATOM 0 HA ILE B 206 6.799 3.855 4.038 1.00 0.00 H new ATOM 0 HB ILE B 206 6.271 4.381 1.141 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.397 2.825 2.923 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.072 4.424 2.285 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.446 1.863 1.150 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.881 2.617 1.886 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.618 1.910 2.921 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.006 2.697 0.904 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.258 3.555 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.587 1.931 0.622 1.00 0.00 H new ATOM 1503 N THR B 207 8.982 5.057 3.478 1.00 0.00 N ATOM 1504 CA THR B 207 10.225 5.721 3.164 1.00 0.00 C ATOM 1505 C THR B 207 11.164 4.759 2.443 1.00 0.00 C ATOM 1506 O THR B 207 11.742 3.864 3.062 1.00 0.00 O ATOM 1507 CB THR B 207 10.876 6.259 4.451 1.00 0.00 C ATOM 1508 OG1 THR B 207 9.853 6.625 5.392 1.00 0.00 O ATOM 1509 CG2 THR B 207 11.731 7.478 4.153 1.00 0.00 C ATOM 0 H THR B 207 9.027 4.428 4.280 1.00 0.00 H new ATOM 0 HA THR B 207 10.023 6.564 2.503 1.00 0.00 H new ATOM 0 HB THR B 207 11.508 5.476 4.869 1.00 0.00 H new ATOM 0 HG1 THR B 207 10.269 6.966 6.211 1.00 0.00 H new ATOM 0 HG21 THR B 207 12.181 7.841 5.077 1.00 0.00 H new ATOM 0 HG22 THR B 207 12.517 7.207 3.448 1.00 0.00 H new ATOM 0 HG23 THR B 207 11.109 8.261 3.720 1.00 0.00 H new ATOM 1517 N LYS B 208 11.291 4.929 1.128 1.00 0.00 N ATOM 1518 CA LYS B 208 12.090 4.016 0.313 1.00 0.00 C ATOM 1519 C LYS B 208 12.397 4.624 -1.055 1.00 0.00 C ATOM 1520 O LYS B 208 12.209 5.821 -1.245 1.00 0.00 O ATOM 1521 CB LYS B 208 11.396 2.643 0.162 1.00 0.00 C ATOM 1522 CG LYS B 208 10.235 2.571 -0.837 1.00 0.00 C ATOM 1523 CD LYS B 208 9.064 3.454 -0.457 1.00 0.00 C ATOM 1524 CE LYS B 208 9.098 4.749 -1.239 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.007 5.666 -0.852 1.00 0.00 N ATOM 0 H LYS B 208 10.853 5.688 0.606 1.00 0.00 H new ATOM 0 HA LYS B 208 13.036 3.856 0.831 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.148 1.911 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.024 2.339 1.140 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.595 2.861 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.893 1.539 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.128 2.930 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.094 3.667 0.612 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.057 5.242 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS B 208 9.025 4.530 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.977 6.468 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.100 5.158 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.175 6.018 0.112 1.00 0.00 H new ATOM 1539 N THR B 209 12.858 3.772 -1.984 1.00 0.00 N ATOM 1540 CA THR B 209 13.283 4.155 -3.341 1.00 0.00 C ATOM 1541 C THR B 209 14.521 5.049 -3.301 1.00 0.00 C ATOM 1542 O THR B 209 14.496 6.129 -2.715 1.00 0.00 O ATOM 1543 CB THR B 209 12.168 4.814 -4.208 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.748 6.075 -3.674 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.958 3.897 -4.337 1.00 0.00 C ATOM 0 H THR B 209 12.948 2.771 -1.808 1.00 0.00 H new ATOM 0 HA THR B 209 13.527 3.214 -3.834 1.00 0.00 H new ATOM 0 HB THR B 209 12.602 4.982 -5.194 1.00 0.00 H new ATOM 0 HG1 THR B 209 12.314 6.311 -2.909 1.00 0.00 H new ATOM 0 HG21 THR B 209 10.197 4.383 -4.947 1.00 0.00 H new ATOM 0 HG22 THR B 209 11.259 2.962 -4.809 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.552 3.689 -3.347 1.00 0.00 H new ATOM 1553 N ILE B 210 15.604 4.556 -3.918 1.00 0.00 N ATOM 1554 CA ILE B 210 16.926 5.208 -3.914 1.00 0.00 C ATOM 1555 C ILE B 210 17.291 5.754 -2.533 1.00 0.00 C ATOM 1556 O ILE B 210 17.908 6.810 -2.404 1.00 0.00 O ATOM 1557 CB ILE B 210 17.065 6.322 -4.991 1.00 0.00 C ATOM 1558 CG1 ILE B 210 16.077 7.473 -4.768 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.881 5.728 -6.379 1.00 0.00 C ATOM 1560 CD1 ILE B 210 16.231 8.608 -5.756 1.00 0.00 C ATOM 0 H ILE B 210 15.589 3.681 -4.442 1.00 0.00 H new ATOM 0 HA ILE B 210 17.635 4.422 -4.173 1.00 0.00 H new ATOM 0 HB ILE B 210 18.068 6.740 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE B 210 15.061 7.084 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE B 210 16.208 7.862 -3.758 1.00 0.00 H new ATOM 0 HG21 ILE B 210 16.980 6.514 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE B 210 17.640 4.965 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE B 210 15.891 5.278 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE B 210 15.499 9.385 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE B 210 17.236 9.024 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE B 210 16.070 8.234 -6.767 1.00 0.00 H new ATOM 1572 N GLN B 211 16.922 5.002 -1.504 1.00 0.00 N ATOM 1573 CA GLN B 211 17.136 5.423 -0.128 1.00 0.00 C ATOM 1574 C GLN B 211 18.597 5.261 0.272 1.00 0.00 C ATOM 1575 O GLN B 211 19.243 4.267 -0.071 1.00 0.00 O ATOM 1576 CB GLN B 211 16.233 4.629 0.821 1.00 0.00 C ATOM 1577 CG GLN B 211 16.408 3.122 0.724 1.00 0.00 C ATOM 1578 CD GLN B 211 15.543 2.375 1.718 1.00 0.00 C ATOM 1579 OE1 GLN B 211 14.405 2.014 1.424 1.00 0.00 O ATOM 1580 NE2 GLN B 211 16.080 2.135 2.903 1.00 0.00 N ATOM 0 H GLN B 211 16.471 4.092 -1.599 1.00 0.00 H new ATOM 0 HA GLN B 211 16.879 6.480 -0.054 1.00 0.00 H new ATOM 0 HB2 GLN B 211 16.434 4.943 1.845 1.00 0.00 H new ATOM 0 HB3 GLN B 211 15.193 4.878 0.610 1.00 0.00 H new ATOM 0 HG2 GLN B 211 16.161 2.795 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN B 211 17.454 2.869 0.895 1.00 0.00 H new ATOM 0 HE21 GLN B 211 17.028 2.452 3.107 1.00 0.00 H new ATOM 0 HE22 GLN B 211 15.546 1.633 3.613 1.00 0.00 H new ATOM 1589 N ASN B 212 19.116 6.245 0.985 1.00 0.00 N ATOM 1590 CA ASN B 212 20.499 6.220 1.428 1.00 0.00 C ATOM 1591 C ASN B 212 20.596 5.553 2.793 1.00 0.00 C ATOM 1592 O ASN B 212 20.975 4.365 2.848 1.00 0.00 O ATOM 1593 CB ASN B 212 21.067 7.640 1.486 1.00 0.00 C ATOM 1594 CG ASN B 212 22.551 7.661 1.790 1.00 0.00 C ATOM 1595 OD1 ASN B 212 22.964 7.736 2.947 1.00 0.00 O ATOM 1596 ND2 ASN B 212 23.365 7.606 0.750 1.00 0.00 N ATOM 1597 OXT ASN B 212 20.260 6.206 3.802 1.00 0.00 O ATOM 0 H ASN B 212 18.597 7.076 1.271 1.00 0.00 H new ATOM 0 HA ASN B 212 21.087 5.644 0.713 1.00 0.00 H new ATOM 0 HB2 ASN B 212 20.888 8.138 0.533 1.00 0.00 H new ATOM 0 HB3 ASN B 212 20.535 8.209 2.249 1.00 0.00 H new ATOM 0 HD21 ASN B 212 24.375 7.625 0.891 1.00 0.00 H new ATOM 0 HD22 ASN B 212 22.983 7.544 -0.194 1.00 0.00 H new TER 1604 ASN B 212