USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=30 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: B 208 LYS NZ :NH3+ -163:sc= -0.643 (180deg=-1.44!) USER MOD Set 1.2: B 209 THR OG1 : rot 78:sc= 1.28 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 142:sc= 1.29 (180deg=-0.564) USER MOD Set 2.2: A 74 CYS SG : rot -20:sc= -0.916 USER MOD Single : A 1 SER N :NH3+ -174:sc=-0.00913 (180deg=-0.0536) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0417) USER MOD Single : A 7 CYS SG : rot 137:sc= -5.5! USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= -0.0084 (180deg=-0.173) USER MOD Single : A 10 MET CE :methyl 149:sc= -0.353 (180deg=-1.45) USER MOD Single : A 11 SER OG : rot -75:sc= 1.18 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= 1.27 (180deg=1.14) USER MOD Single : A 17 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.89) USER MOD Single : A 19 SER OG : rot 180:sc= -2.73! USER MOD Single : A 23 ASN : amide:sc=-0.00666 X(o=-0.0067,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= -0.0161 (180deg=-0.151) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.0129 K(o=0.013,f=-0.49) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 46 ASN : amide:sc= -0.0593 X(o=-0.059,f=-0.19) USER MOD Single : A 47 SER OG : rot 160:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.52) USER MOD Single : A 58 THR OG1 : rot -20:sc= -0.799! USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 1.78 (180deg=1.5) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00929 USER MOD Single : A 63 THR OG1 : rot 150:sc= 0.29 USER MOD Single : A 70 TYR OH : rot 170:sc= 1.08 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.505 USER MOD Single : A 73 SER OG : rot -90:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0593 (180deg=-0.332) USER MOD Single : A 80 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.2) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.13) USER MOD Single : B 207 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : B 211 GLN : amide:sc= 0.32 X(o=0.32,f=-0.12) USER MOD Single : B 212 ASN : amide:sc= 1.08 K(o=1.1,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.613 -7.051 -13.561 1.00 0.00 N ATOM 2 CA SER A 1 -11.732 -5.869 -13.463 1.00 0.00 C ATOM 3 C SER A 1 -12.429 -4.697 -12.766 1.00 0.00 C ATOM 4 O SER A 1 -11.774 -3.878 -12.124 1.00 0.00 O ATOM 5 CB SER A 1 -11.276 -5.442 -14.857 1.00 0.00 C ATOM 6 OG SER A 1 -10.879 -6.563 -15.630 1.00 0.00 O ATOM 0 H1 SER A 1 -12.075 -7.854 -13.945 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.972 -7.296 -12.616 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.413 -6.837 -14.191 1.00 0.00 H new ATOM 0 HA SER A 1 -10.867 -6.150 -12.862 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.086 -4.916 -15.363 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.445 -4.742 -14.773 1.00 0.00 H new ATOM 0 HG SER A 1 -10.593 -6.263 -16.518 1.00 0.00 H new ATOM 14 N GLU A 2 -13.753 -4.598 -12.891 1.00 0.00 N ATOM 15 CA GLU A 2 -14.474 -3.479 -12.287 1.00 0.00 C ATOM 16 C GLU A 2 -14.790 -3.756 -10.819 1.00 0.00 C ATOM 17 O GLU A 2 -15.235 -2.865 -10.093 1.00 0.00 O ATOM 18 CB GLU A 2 -15.770 -3.169 -13.043 1.00 0.00 C ATOM 19 CG GLU A 2 -16.746 -4.327 -13.107 1.00 0.00 C ATOM 20 CD GLU A 2 -18.075 -3.918 -13.704 1.00 0.00 C ATOM 21 OE1 GLU A 2 -18.112 -3.583 -14.906 1.00 0.00 O ATOM 22 OE2 GLU A 2 -19.090 -3.925 -12.972 1.00 0.00 O ATOM 0 H GLU A 2 -14.338 -5.265 -13.395 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.820 -2.609 -12.351 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.261 -2.321 -12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.520 -2.863 -14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.314 -5.132 -13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.906 -4.722 -12.104 1.00 0.00 H new ATOM 29 N GLU A 3 -14.542 -4.990 -10.388 1.00 0.00 N ATOM 30 CA GLU A 3 -14.846 -5.415 -9.024 1.00 0.00 C ATOM 31 C GLU A 3 -14.074 -4.602 -7.984 1.00 0.00 C ATOM 32 O GLU A 3 -14.513 -4.476 -6.841 1.00 0.00 O ATOM 33 CB GLU A 3 -14.553 -6.902 -8.852 1.00 0.00 C ATOM 34 CG GLU A 3 -13.093 -7.226 -9.026 1.00 0.00 C ATOM 35 CD GLU A 3 -12.734 -8.625 -8.570 1.00 0.00 C ATOM 36 OE1 GLU A 3 -12.930 -9.579 -9.349 1.00 0.00 O ATOM 37 OE2 GLU A 3 -12.258 -8.781 -7.427 1.00 0.00 O ATOM 0 H GLU A 3 -14.128 -5.719 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.908 -5.236 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.877 -7.221 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.137 -7.470 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.825 -7.113 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.498 -6.504 -8.466 1.00 0.00 H new ATOM 44 N GLU A 4 -12.932 -4.046 -8.380 1.00 0.00 N ATOM 45 CA GLU A 4 -12.118 -3.257 -7.457 1.00 0.00 C ATOM 46 C GLU A 4 -12.703 -1.856 -7.279 1.00 0.00 C ATOM 47 O GLU A 4 -12.698 -1.312 -6.176 1.00 0.00 O ATOM 48 CB GLU A 4 -10.652 -3.185 -7.926 1.00 0.00 C ATOM 49 CG GLU A 4 -10.474 -2.583 -9.311 1.00 0.00 C ATOM 50 CD GLU A 4 -9.045 -2.674 -9.802 1.00 0.00 C ATOM 51 OE1 GLU A 4 -8.643 -3.758 -10.270 1.00 0.00 O ATOM 52 OE2 GLU A 4 -8.314 -1.669 -9.717 1.00 0.00 O ATOM 0 H GLU A 4 -12.552 -4.125 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.132 -3.757 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.081 -2.596 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.230 -4.190 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.130 -3.096 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.783 -1.538 -9.292 1.00 0.00 H new ATOM 59 N ASP A 5 -13.246 -1.285 -8.353 1.00 0.00 N ATOM 60 CA ASP A 5 -13.843 0.048 -8.291 1.00 0.00 C ATOM 61 C ASP A 5 -15.220 -0.028 -7.644 1.00 0.00 C ATOM 62 O ASP A 5 -15.787 0.984 -7.233 1.00 0.00 O ATOM 63 CB ASP A 5 -13.952 0.690 -9.688 1.00 0.00 C ATOM 64 CG ASP A 5 -12.606 0.982 -10.320 1.00 0.00 C ATOM 65 OD1 ASP A 5 -12.061 2.082 -10.085 1.00 0.00 O ATOM 66 OD2 ASP A 5 -12.102 0.125 -11.075 1.00 0.00 O ATOM 0 H ASP A 5 -13.285 -1.723 -9.273 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.190 0.677 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.516 0.026 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.518 1.618 -9.611 1.00 0.00 H new ATOM 71 N LYS A 6 -15.750 -1.242 -7.547 1.00 0.00 N ATOM 72 CA LYS A 6 -17.059 -1.458 -6.960 1.00 0.00 C ATOM 73 C LYS A 6 -16.892 -2.126 -5.599 1.00 0.00 C ATOM 74 O LYS A 6 -17.848 -2.626 -5.006 1.00 0.00 O ATOM 75 CB LYS A 6 -17.904 -2.331 -7.893 1.00 0.00 C ATOM 76 CG LYS A 6 -19.399 -2.308 -7.598 1.00 0.00 C ATOM 77 CD LYS A 6 -20.007 -0.952 -7.917 1.00 0.00 C ATOM 78 CE LYS A 6 -21.521 -0.973 -7.782 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.959 -1.277 -6.394 1.00 0.00 N ATOM 0 H LYS A 6 -15.288 -2.092 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.570 -0.505 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.744 -2.003 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.549 -3.360 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.899 -3.079 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.568 -2.546 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.592 -0.199 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.735 -0.660 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.924 -0.006 -8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.934 -1.718 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.994 -1.197 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.670 -2.244 -6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.519 -0.603 -5.736 1.00 0.00 H new ATOM 93 N CYS A 7 -15.660 -2.121 -5.108 1.00 0.00 N ATOM 94 CA CYS A 7 -15.334 -2.803 -3.870 1.00 0.00 C ATOM 95 C CYS A 7 -15.686 -1.935 -2.671 1.00 0.00 C ATOM 96 O CYS A 7 -15.560 -0.709 -2.715 1.00 0.00 O ATOM 97 CB CYS A 7 -13.848 -3.170 -3.840 1.00 0.00 C ATOM 98 SG CYS A 7 -13.464 -4.525 -2.712 1.00 0.00 S ATOM 0 H CYS A 7 -14.871 -1.650 -5.551 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.922 -3.719 -3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.529 -3.444 -4.846 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.271 -2.292 -3.550 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.631 -5.343 -3.284 1.00 0.00 H new ATOM 104 N LYS A 8 -16.158 -2.579 -1.616 1.00 0.00 N ATOM 105 CA LYS A 8 -16.486 -1.892 -0.378 1.00 0.00 C ATOM 106 C LYS A 8 -15.222 -1.652 0.446 1.00 0.00 C ATOM 107 O LYS A 8 -14.282 -2.448 0.390 1.00 0.00 O ATOM 108 CB LYS A 8 -17.498 -2.714 0.431 1.00 0.00 C ATOM 109 CG LYS A 8 -18.949 -2.508 0.010 1.00 0.00 C ATOM 110 CD LYS A 8 -19.202 -2.933 -1.429 1.00 0.00 C ATOM 111 CE LYS A 8 -20.638 -2.657 -1.848 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.620 -3.395 -1.009 1.00 0.00 N ATOM 0 H LYS A 8 -16.324 -3.585 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.932 -0.928 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.250 -3.771 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.397 -2.457 1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.601 -3.076 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.213 -1.457 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.520 -2.401 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.988 -3.996 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.835 -1.587 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.771 -2.939 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.564 -3.328 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.339 -4.394 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.644 -2.979 -0.056 1.00 0.00 H new ATOM 126 N PRO A 9 -15.177 -0.543 1.211 1.00 0.00 N ATOM 127 CA PRO A 9 -14.020 -0.205 2.042 1.00 0.00 C ATOM 128 C PRO A 9 -13.802 -1.206 3.163 1.00 0.00 C ATOM 129 O PRO A 9 -14.756 -1.675 3.786 1.00 0.00 O ATOM 130 CB PRO A 9 -14.364 1.150 2.657 1.00 0.00 C ATOM 131 CG PRO A 9 -15.550 1.659 1.907 1.00 0.00 C ATOM 132 CD PRO A 9 -16.249 0.459 1.330 1.00 0.00 C ATOM 0 HA PRO A 9 -13.109 -0.202 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.589 1.050 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.525 1.840 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.216 2.213 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.243 2.344 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.052 0.112 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.697 0.683 0.362 1.00 0.00 H new ATOM 140 N MET A 10 -12.542 -1.517 3.425 1.00 0.00 N ATOM 141 CA MET A 10 -12.189 -2.383 4.534 1.00 0.00 C ATOM 142 C MET A 10 -12.233 -1.597 5.840 1.00 0.00 C ATOM 143 O MET A 10 -12.193 -0.363 5.836 1.00 0.00 O ATOM 144 CB MET A 10 -10.803 -2.997 4.320 1.00 0.00 C ATOM 145 CG MET A 10 -9.692 -1.973 4.200 1.00 0.00 C ATOM 146 SD MET A 10 -8.081 -2.727 3.908 1.00 0.00 S ATOM 147 CE MET A 10 -8.413 -3.681 2.428 1.00 0.00 C ATOM 0 H MET A 10 -11.747 -1.181 2.882 1.00 0.00 H new ATOM 0 HA MET A 10 -12.913 -3.196 4.589 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.580 -3.666 5.151 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.822 -3.607 3.417 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.921 -1.288 3.384 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.651 -1.379 5.113 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.507 -3.745 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.735 -4.684 2.707 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.199 -3.195 1.851 1.00 0.00 H new ATOM 157 N SER A 11 -12.318 -2.316 6.943 1.00 0.00 N ATOM 158 CA SER A 11 -12.476 -1.708 8.257 1.00 0.00 C ATOM 159 C SER A 11 -11.165 -1.123 8.786 1.00 0.00 C ATOM 160 O SER A 11 -10.117 -1.239 8.142 1.00 0.00 O ATOM 161 CB SER A 11 -13.036 -2.737 9.240 1.00 0.00 C ATOM 162 OG SER A 11 -12.225 -3.901 9.283 1.00 0.00 O ATOM 0 H SER A 11 -12.280 -3.335 6.957 1.00 0.00 H new ATOM 0 HA SER A 11 -13.177 -0.880 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.098 -2.297 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.051 -3.008 8.948 1.00 0.00 H new ATOM 0 HG SER A 11 -12.380 -4.438 8.478 1.00 0.00 H new ATOM 168 N TYR A 12 -11.226 -0.514 9.966 1.00 0.00 N ATOM 169 CA TYR A 12 -10.072 0.174 10.547 1.00 0.00 C ATOM 170 C TYR A 12 -8.926 -0.807 10.807 1.00 0.00 C ATOM 171 O TYR A 12 -7.774 -0.529 10.459 1.00 0.00 O ATOM 172 CB TYR A 12 -10.495 0.877 11.848 1.00 0.00 C ATOM 173 CG TYR A 12 -9.477 1.849 12.408 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.271 1.409 12.938 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.736 3.212 12.421 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.355 2.297 13.462 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.825 4.108 12.943 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.636 3.646 13.462 1.00 0.00 C ATOM 179 OH TYR A 12 -6.724 4.535 13.984 1.00 0.00 O ATOM 0 H TYR A 12 -12.066 -0.482 10.543 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.712 0.921 9.840 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.427 1.413 11.668 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.705 0.118 12.602 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.046 0.353 12.940 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.667 3.579 12.015 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.422 1.937 13.870 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.043 5.166 12.944 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.075 5.447 13.906 1.00 0.00 H new ATOM 189 N GLU A 13 -9.250 -1.964 11.387 1.00 0.00 N ATOM 190 CA GLU A 13 -8.239 -2.961 11.736 1.00 0.00 C ATOM 191 C GLU A 13 -7.498 -3.433 10.485 1.00 0.00 C ATOM 192 O GLU A 13 -6.305 -3.746 10.534 1.00 0.00 O ATOM 193 CB GLU A 13 -8.884 -4.157 12.450 1.00 0.00 C ATOM 194 CG GLU A 13 -7.875 -5.150 13.010 1.00 0.00 C ATOM 195 CD GLU A 13 -8.529 -6.285 13.770 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.033 -7.227 13.125 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.534 -6.248 15.019 1.00 0.00 O ATOM 0 H GLU A 13 -10.205 -2.233 11.625 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.522 -2.497 12.413 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.509 -3.789 13.264 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.541 -4.675 11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.283 -5.560 12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.185 -4.626 13.671 1.00 0.00 H new ATOM 204 N GLU A 14 -8.208 -3.446 9.365 1.00 0.00 N ATOM 205 CA GLU A 14 -7.642 -3.896 8.098 1.00 0.00 C ATOM 206 C GLU A 14 -6.780 -2.801 7.478 1.00 0.00 C ATOM 207 O GLU A 14 -5.667 -3.064 7.027 1.00 0.00 O ATOM 208 CB GLU A 14 -8.754 -4.306 7.132 1.00 0.00 C ATOM 209 CG GLU A 14 -9.557 -5.512 7.591 1.00 0.00 C ATOM 210 CD GLU A 14 -10.806 -5.727 6.762 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.782 -4.970 6.947 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.822 -6.660 5.932 1.00 0.00 O ATOM 0 H GLU A 14 -9.182 -3.149 9.307 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.012 -4.764 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.431 -3.463 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.314 -4.524 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.931 -6.403 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.837 -5.382 8.636 1.00 0.00 H new ATOM 219 N LYS A 15 -7.300 -1.575 7.465 1.00 0.00 N ATOM 220 CA LYS A 15 -6.558 -0.426 6.955 1.00 0.00 C ATOM 221 C LYS A 15 -5.224 -0.261 7.681 1.00 0.00 C ATOM 222 O LYS A 15 -4.185 -0.052 7.053 1.00 0.00 O ATOM 223 CB LYS A 15 -7.387 0.851 7.099 1.00 0.00 C ATOM 224 CG LYS A 15 -8.530 0.960 6.106 1.00 0.00 C ATOM 225 CD LYS A 15 -9.492 2.072 6.495 1.00 0.00 C ATOM 226 CE LYS A 15 -9.951 2.862 5.285 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.893 3.950 5.661 1.00 0.00 N ATOM 0 H LYS A 15 -8.236 -1.352 7.803 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.354 -0.605 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.792 0.897 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.731 1.713 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.132 1.152 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.066 0.012 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.358 1.644 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.007 2.742 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.085 3.289 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.435 2.191 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.884 4.687 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.854 3.562 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.601 4.363 6.570 1.00 0.00 H new ATOM 241 N ARG A 16 -5.256 -0.355 9.006 1.00 0.00 N ATOM 242 CA ARG A 16 -4.036 -0.259 9.800 1.00 0.00 C ATOM 243 C ARG A 16 -3.091 -1.420 9.483 1.00 0.00 C ATOM 244 O ARG A 16 -1.877 -1.234 9.404 1.00 0.00 O ATOM 245 CB ARG A 16 -4.358 -0.236 11.303 1.00 0.00 C ATOM 246 CG ARG A 16 -3.119 -0.159 12.196 1.00 0.00 C ATOM 247 CD ARG A 16 -3.465 -0.251 13.669 1.00 0.00 C ATOM 248 NE ARG A 16 -3.960 1.019 14.198 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.759 1.123 15.258 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.166 0.031 15.897 1.00 0.00 N ATOM 251 NH2 ARG A 16 -5.150 2.320 15.682 1.00 0.00 N ATOM 0 H ARG A 16 -6.107 -0.497 9.550 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.541 0.676 9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.001 0.618 11.515 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.924 -1.132 11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.435 -0.966 11.935 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.595 0.777 12.006 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.220 -1.023 13.816 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.582 -0.557 14.230 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.676 1.878 13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.866 -0.889 15.576 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.778 0.113 16.709 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.838 3.160 15.195 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.762 2.398 16.494 1.00 0.00 H new ATOM 265 N GLN A 17 -3.652 -2.611 9.284 1.00 0.00 N ATOM 266 CA GLN A 17 -2.854 -3.789 8.978 1.00 0.00 C ATOM 267 C GLN A 17 -2.245 -3.674 7.587 1.00 0.00 C ATOM 268 O GLN A 17 -1.212 -4.267 7.304 1.00 0.00 O ATOM 269 CB GLN A 17 -3.705 -5.058 9.078 1.00 0.00 C ATOM 270 CG GLN A 17 -2.890 -6.343 9.056 1.00 0.00 C ATOM 271 CD GLN A 17 -1.978 -6.476 10.263 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.293 -5.995 11.352 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.838 -7.123 10.078 1.00 0.00 N ATOM 0 H GLN A 17 -4.656 -2.782 9.330 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.048 -3.853 9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.287 -5.023 9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.416 -5.075 8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.566 -7.197 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.290 -6.373 8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.613 -7.507 9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.185 -7.237 10.853 1.00 0.00 H new ATOM 282 N LEU A 18 -2.893 -2.896 6.736 1.00 0.00 N ATOM 283 CA LEU A 18 -2.421 -2.667 5.376 1.00 0.00 C ATOM 284 C LEU A 18 -1.201 -1.752 5.406 1.00 0.00 C ATOM 285 O LEU A 18 -0.251 -1.914 4.648 1.00 0.00 O ATOM 286 CB LEU A 18 -3.545 -2.045 4.545 1.00 0.00 C ATOM 287 CG LEU A 18 -3.692 -2.551 3.103 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.996 -2.061 2.508 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.537 -2.097 2.234 1.00 0.00 C ATOM 0 H LEU A 18 -3.758 -2.406 6.965 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.133 -3.614 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.488 -2.216 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.389 -0.967 4.514 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.689 -3.641 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.089 -2.426 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.830 -2.433 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.009 -0.971 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.674 -2.474 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.502 -1.008 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.602 -2.483 2.641 1.00 0.00 H new ATOM 301 N SER A 19 -1.228 -0.786 6.297 1.00 0.00 N ATOM 302 CA SER A 19 -0.052 0.028 6.552 1.00 0.00 C ATOM 303 C SER A 19 1.095 -0.862 7.042 1.00 0.00 C ATOM 304 O SER A 19 2.268 -0.649 6.708 1.00 0.00 O ATOM 305 CB SER A 19 -0.386 1.109 7.586 1.00 0.00 C ATOM 306 OG SER A 19 0.736 1.917 7.885 1.00 0.00 O ATOM 0 H SER A 19 -2.045 -0.543 6.857 1.00 0.00 H new ATOM 0 HA SER A 19 0.262 0.518 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.194 1.735 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.748 0.638 8.500 1.00 0.00 H new ATOM 0 HG SER A 19 0.484 2.595 8.546 1.00 0.00 H new ATOM 312 N LEU A 20 0.734 -1.883 7.804 1.00 0.00 N ATOM 313 CA LEU A 20 1.700 -2.818 8.349 1.00 0.00 C ATOM 314 C LEU A 20 2.185 -3.813 7.294 1.00 0.00 C ATOM 315 O LEU A 20 3.338 -4.240 7.328 1.00 0.00 O ATOM 316 CB LEU A 20 1.087 -3.559 9.537 1.00 0.00 C ATOM 317 CG LEU A 20 0.832 -2.707 10.777 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.066 -3.518 11.798 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.146 -2.227 11.370 1.00 0.00 C ATOM 0 H LEU A 20 -0.233 -2.084 8.060 1.00 0.00 H new ATOM 0 HA LEU A 20 2.568 -2.250 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.143 -4.001 9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.748 -4.381 9.811 1.00 0.00 H new ATOM 0 HG LEU A 20 0.243 -1.834 10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.116 -2.909 12.684 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.887 -3.833 11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.648 -4.397 12.075 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.946 -1.621 12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.755 -3.087 11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.681 -1.628 10.633 1.00 0.00 H new ATOM 331 N ASP A 21 1.316 -4.171 6.353 1.00 0.00 N ATOM 332 CA ASP A 21 1.654 -5.181 5.357 1.00 0.00 C ATOM 333 C ASP A 21 2.538 -4.610 4.244 1.00 0.00 C ATOM 334 O ASP A 21 3.404 -5.312 3.715 1.00 0.00 O ATOM 335 CB ASP A 21 0.394 -5.880 4.806 1.00 0.00 C ATOM 336 CG ASP A 21 -0.596 -4.997 4.085 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.183 -4.115 3.323 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.816 -5.237 4.254 1.00 0.00 O ATOM 0 H ASP A 21 0.379 -3.779 6.260 1.00 0.00 H new ATOM 0 HA ASP A 21 2.244 -5.948 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.710 -6.669 4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.120 -6.364 5.636 1.00 0.00 H new ATOM 343 N ILE A 22 2.357 -3.336 3.914 1.00 0.00 N ATOM 344 CA ILE A 22 3.236 -2.676 2.952 1.00 0.00 C ATOM 345 C ILE A 22 4.607 -2.449 3.576 1.00 0.00 C ATOM 346 O ILE A 22 5.639 -2.539 2.907 1.00 0.00 O ATOM 347 CB ILE A 22 2.645 -1.333 2.471 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.379 -1.591 1.656 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.649 -0.550 1.642 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.501 -0.383 1.523 1.00 0.00 C ATOM 0 H ILE A 22 1.618 -2.744 4.293 1.00 0.00 H new ATOM 0 HA ILE A 22 3.333 -3.327 2.083 1.00 0.00 H new ATOM 0 HB ILE A 22 2.399 -0.735 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.660 -1.938 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.811 -2.394 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.201 0.390 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.534 -0.342 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.934 -1.135 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.380 -0.637 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.191 -0.048 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.053 0.415 1.026 1.00 0.00 H new ATOM 362 N ASN A 23 4.602 -2.180 4.875 1.00 0.00 N ATOM 363 CA ASN A 23 5.831 -2.036 5.647 1.00 0.00 C ATOM 364 C ASN A 23 6.657 -3.325 5.594 1.00 0.00 C ATOM 365 O ASN A 23 7.881 -3.302 5.738 1.00 0.00 O ATOM 366 CB ASN A 23 5.478 -1.682 7.097 1.00 0.00 C ATOM 367 CG ASN A 23 6.631 -1.874 8.070 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.802 -2.951 8.643 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.419 -0.832 8.277 1.00 0.00 N ATOM 0 H ASN A 23 3.750 -2.056 5.422 1.00 0.00 H new ATOM 0 HA ASN A 23 6.433 -1.236 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.148 -0.644 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.637 -2.297 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.200 -0.905 8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.246 0.044 7.784 1.00 0.00 H new ATOM 376 N LYS A 24 5.980 -4.443 5.361 1.00 0.00 N ATOM 377 CA LYS A 24 6.631 -5.748 5.322 1.00 0.00 C ATOM 378 C LYS A 24 7.342 -5.992 3.994 1.00 0.00 C ATOM 379 O LYS A 24 8.306 -6.755 3.934 1.00 0.00 O ATOM 380 CB LYS A 24 5.600 -6.849 5.558 1.00 0.00 C ATOM 381 CG LYS A 24 5.046 -6.874 6.970 1.00 0.00 C ATOM 382 CD LYS A 24 3.973 -7.937 7.132 1.00 0.00 C ATOM 383 CE LYS A 24 3.321 -7.866 8.503 1.00 0.00 C ATOM 384 NZ LYS A 24 4.310 -8.024 9.603 1.00 0.00 N ATOM 0 H LYS A 24 4.974 -4.472 5.195 1.00 0.00 H new ATOM 0 HA LYS A 24 7.382 -5.763 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.776 -6.719 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.056 -7.814 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.855 -7.063 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.631 -5.897 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.214 -7.810 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.412 -8.924 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.809 -6.910 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.562 -8.645 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.809 -8.122 10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.886 -8.873 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.927 -7.188 9.638 1.00 0.00 H new ATOM 398 N LEU A 25 6.862 -5.356 2.936 1.00 0.00 N ATOM 399 CA LEU A 25 7.417 -5.565 1.602 1.00 0.00 C ATOM 400 C LEU A 25 8.831 -5.004 1.472 1.00 0.00 C ATOM 401 O LEU A 25 9.077 -3.837 1.782 1.00 0.00 O ATOM 402 CB LEU A 25 6.529 -4.911 0.549 1.00 0.00 C ATOM 403 CG LEU A 25 5.076 -5.359 0.539 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.398 -4.864 -0.717 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.986 -6.861 0.639 1.00 0.00 C ATOM 0 H LEU A 25 6.090 -4.691 2.972 1.00 0.00 H new ATOM 0 HA LEU A 25 7.459 -6.643 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.556 -3.832 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.957 -5.108 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 25 4.566 -4.933 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.357 -5.187 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.440 -3.775 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.907 -5.272 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.939 -7.164 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.502 -7.314 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.452 -7.192 1.567 1.00 0.00 H new ATOM 417 N PRO A 26 9.781 -5.843 1.025 1.00 0.00 N ATOM 418 CA PRO A 26 11.138 -5.400 0.670 1.00 0.00 C ATOM 419 C PRO A 26 11.112 -4.345 -0.436 1.00 0.00 C ATOM 420 O PRO A 26 10.182 -4.330 -1.237 1.00 0.00 O ATOM 421 CB PRO A 26 11.814 -6.682 0.169 1.00 0.00 C ATOM 422 CG PRO A 26 11.037 -7.788 0.788 1.00 0.00 C ATOM 423 CD PRO A 26 9.621 -7.299 0.867 1.00 0.00 C ATOM 0 HA PRO A 26 11.656 -4.936 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.790 -6.743 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.862 -6.719 0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.104 -8.696 0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.423 -8.030 1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.057 -7.548 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.088 -7.740 1.709 1.00 0.00 H new ATOM 431 N GLY A 27 12.131 -3.482 -0.473 1.00 0.00 N ATOM 432 CA GLY A 27 12.143 -2.330 -1.378 1.00 0.00 C ATOM 433 C GLY A 27 11.675 -2.618 -2.802 1.00 0.00 C ATOM 434 O GLY A 27 10.957 -1.800 -3.388 1.00 0.00 O ATOM 0 H GLY A 27 12.961 -3.560 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.510 -1.550 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.157 -1.931 -1.419 1.00 0.00 H new ATOM 438 N GLU A 28 12.071 -3.763 -3.360 1.00 0.00 N ATOM 439 CA GLU A 28 11.636 -4.158 -4.704 1.00 0.00 C ATOM 440 C GLU A 28 10.112 -4.214 -4.774 1.00 0.00 C ATOM 441 O GLU A 28 9.479 -3.545 -5.593 1.00 0.00 O ATOM 442 CB GLU A 28 12.210 -5.536 -5.065 1.00 0.00 C ATOM 443 CG GLU A 28 11.761 -6.063 -6.420 1.00 0.00 C ATOM 444 CD GLU A 28 11.409 -7.540 -6.388 1.00 0.00 C ATOM 445 OE1 GLU A 28 12.274 -8.358 -6.015 1.00 0.00 O ATOM 446 OE2 GLU A 28 10.261 -7.894 -6.747 1.00 0.00 O ATOM 0 H GLU A 28 12.691 -4.433 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 28 12.002 -3.416 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.298 -5.478 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.920 -6.251 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.894 -5.495 -6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.554 -5.898 -7.150 1.00 0.00 H new ATOM 453 N LYS A 29 9.544 -5.006 -3.886 1.00 0.00 N ATOM 454 CA LYS A 29 8.109 -5.217 -3.821 1.00 0.00 C ATOM 455 C LYS A 29 7.397 -3.961 -3.336 1.00 0.00 C ATOM 456 O LYS A 29 6.278 -3.657 -3.750 1.00 0.00 O ATOM 457 CB LYS A 29 7.841 -6.374 -2.867 1.00 0.00 C ATOM 458 CG LYS A 29 8.376 -7.708 -3.359 1.00 0.00 C ATOM 459 CD LYS A 29 7.564 -8.246 -4.530 1.00 0.00 C ATOM 460 CE LYS A 29 7.981 -9.661 -4.901 1.00 0.00 C ATOM 461 NZ LYS A 29 7.858 -10.600 -3.753 1.00 0.00 N ATOM 0 H LYS A 29 10.069 -5.526 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 29 7.728 -5.450 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.290 -6.147 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.766 -6.460 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.417 -7.593 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.359 -8.430 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.505 -8.234 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.691 -7.591 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.364 -10.016 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.012 -9.654 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.516 -11.521 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.787 -10.721 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.184 -10.215 -3.060 1.00 0.00 H new ATOM 475 N LEU A 30 8.070 -3.246 -2.460 1.00 0.00 N ATOM 476 CA LEU A 30 7.543 -2.033 -1.853 1.00 0.00 C ATOM 477 C LEU A 30 7.316 -0.933 -2.884 1.00 0.00 C ATOM 478 O LEU A 30 6.279 -0.273 -2.858 1.00 0.00 O ATOM 479 CB LEU A 30 8.512 -1.563 -0.765 1.00 0.00 C ATOM 480 CG LEU A 30 8.135 -0.271 -0.054 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.660 -0.259 0.306 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.992 -0.115 1.190 1.00 0.00 C ATOM 0 H LEU A 30 9.008 -3.489 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 30 6.571 -2.257 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.602 -2.353 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.497 -1.434 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 30 8.316 0.569 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.417 0.675 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.063 -0.345 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.440 -1.098 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.725 0.809 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.823 -0.961 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.044 -0.081 0.905 1.00 0.00 H new ATOM 494 N GLY A 31 8.264 -0.752 -3.798 1.00 0.00 N ATOM 495 CA GLY A 31 8.159 0.322 -4.778 1.00 0.00 C ATOM 496 C GLY A 31 6.889 0.251 -5.608 1.00 0.00 C ATOM 497 O GLY A 31 6.442 1.264 -6.145 1.00 0.00 O ATOM 0 H GLY A 31 9.103 -1.327 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.195 1.281 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.022 0.285 -5.442 1.00 0.00 H new ATOM 501 N ARG A 32 6.304 -0.936 -5.718 1.00 0.00 N ATOM 502 CA ARG A 32 5.045 -1.086 -6.432 1.00 0.00 C ATOM 503 C ARG A 32 3.917 -0.383 -5.687 1.00 0.00 C ATOM 504 O ARG A 32 3.194 0.405 -6.279 1.00 0.00 O ATOM 505 CB ARG A 32 4.697 -2.561 -6.637 1.00 0.00 C ATOM 506 CG ARG A 32 3.317 -2.793 -7.255 1.00 0.00 C ATOM 507 CD ARG A 32 3.189 -2.144 -8.631 1.00 0.00 C ATOM 508 NE ARG A 32 4.109 -2.708 -9.618 1.00 0.00 N ATOM 509 CZ ARG A 32 4.235 -2.236 -10.859 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.490 -1.213 -11.258 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.097 -2.790 -11.702 1.00 0.00 N ATOM 0 H ARG A 32 6.678 -1.800 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 32 5.164 -0.623 -7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.452 -3.017 -7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.744 -3.072 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.134 -3.864 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.551 -2.391 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.166 -2.261 -8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.374 -1.074 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 32 4.684 -3.504 -9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.821 -0.788 -10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.586 -0.852 -12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.667 -3.581 -11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.189 -2.425 -12.650 1.00 0.00 H new ATOM 525 N VAL A 33 3.785 -0.649 -4.390 1.00 0.00 N ATOM 526 CA VAL A 33 2.674 -0.097 -3.609 1.00 0.00 C ATOM 527 C VAL A 33 2.744 1.416 -3.539 1.00 0.00 C ATOM 528 O VAL A 33 1.755 2.079 -3.836 1.00 0.00 O ATOM 529 CB VAL A 33 2.590 -0.685 -2.185 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.248 -1.373 -1.989 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.721 -1.660 -1.922 1.00 0.00 C ATOM 0 H VAL A 33 4.426 -1.238 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 33 1.766 -0.388 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 33 2.684 0.135 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.195 -1.786 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.445 -0.650 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.142 -2.177 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.632 -2.056 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.669 -2.480 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.676 -1.146 -2.028 1.00 0.00 H new ATOM 541 N VAL A 34 3.911 1.963 -3.185 1.00 0.00 N ATOM 542 CA VAL A 34 4.099 3.423 -3.179 1.00 0.00 C ATOM 543 C VAL A 34 3.620 4.002 -4.505 1.00 0.00 C ATOM 544 O VAL A 34 2.938 5.026 -4.552 1.00 0.00 O ATOM 545 CB VAL A 34 5.586 3.832 -2.929 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.486 2.626 -2.981 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.081 4.884 -3.922 1.00 0.00 C ATOM 0 H VAL A 34 4.732 1.428 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 34 3.511 3.827 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 34 5.622 4.274 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.517 2.933 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.183 1.913 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.410 2.157 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.120 5.131 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.008 4.490 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.468 5.782 -3.837 1.00 0.00 H new ATOM 557 N HIS A 35 3.961 3.299 -5.576 1.00 0.00 N ATOM 558 CA HIS A 35 3.577 3.702 -6.920 1.00 0.00 C ATOM 559 C HIS A 35 2.073 3.531 -7.142 1.00 0.00 C ATOM 560 O HIS A 35 1.437 4.392 -7.746 1.00 0.00 O ATOM 561 CB HIS A 35 4.362 2.896 -7.952 1.00 0.00 C ATOM 562 CG HIS A 35 4.195 3.390 -9.357 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.874 4.479 -9.853 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.423 2.937 -10.371 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.527 4.677 -11.109 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.649 3.754 -11.450 1.00 0.00 N ATOM 0 H HIS A 35 4.508 2.439 -5.538 1.00 0.00 H new ATOM 0 HA HIS A 35 3.813 4.759 -7.039 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.420 2.921 -7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.046 1.854 -7.903 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.754 2.090 -10.338 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.899 5.462 -11.750 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.210 3.662 -12.366 1.00 0.00 H new ATOM 575 N ILE A 36 1.514 2.417 -6.664 1.00 0.00 N ATOM 576 CA ILE A 36 0.083 2.154 -6.806 1.00 0.00 C ATOM 577 C ILE A 36 -0.732 3.297 -6.222 1.00 0.00 C ATOM 578 O ILE A 36 -1.585 3.860 -6.903 1.00 0.00 O ATOM 579 CB ILE A 36 -0.377 0.835 -6.129 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.368 -0.365 -6.715 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.883 0.657 -6.299 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.167 -1.708 -6.259 1.00 0.00 C ATOM 0 H ILE A 36 2.030 1.685 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.088 2.058 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.145 0.894 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.316 -0.316 -7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.421 -0.294 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.196 -0.271 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.403 1.496 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.127 0.618 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.415 -2.507 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.090 -1.781 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.212 -1.803 -6.555 1.00 0.00 H new ATOM 594 N ILE A 37 -0.453 3.653 -4.972 1.00 0.00 N ATOM 595 CA ILE A 37 -1.219 4.695 -4.308 1.00 0.00 C ATOM 596 C ILE A 37 -1.120 6.008 -5.073 1.00 0.00 C ATOM 597 O ILE A 37 -2.132 6.595 -5.430 1.00 0.00 O ATOM 598 CB ILE A 37 -0.780 4.942 -2.852 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.887 3.668 -2.020 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.658 6.019 -2.252 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.439 3.152 -1.524 1.00 0.00 C ATOM 0 H ILE A 37 0.289 3.240 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.248 4.336 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 37 0.263 5.259 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.536 3.857 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.367 2.894 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.356 6.202 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.553 6.938 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.698 5.694 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.281 2.245 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.084 2.929 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.912 3.908 -0.898 1.00 0.00 H new ATOM 613 N GLN A 38 0.102 6.446 -5.340 1.00 0.00 N ATOM 614 CA GLN A 38 0.332 7.702 -6.054 1.00 0.00 C ATOM 615 C GLN A 38 -0.341 7.697 -7.428 1.00 0.00 C ATOM 616 O GLN A 38 -0.783 8.738 -7.916 1.00 0.00 O ATOM 617 CB GLN A 38 1.836 7.963 -6.214 1.00 0.00 C ATOM 618 CG GLN A 38 2.571 8.201 -4.893 1.00 0.00 C ATOM 619 CD GLN A 38 3.850 9.024 -5.095 1.00 0.00 C ATOM 620 OE1 GLN A 38 4.431 9.002 -6.178 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.340 9.722 -4.063 1.00 0.00 N ATOM 0 H GLN A 38 0.954 5.952 -5.074 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.110 8.501 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.290 7.112 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.977 8.831 -6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.911 8.719 -4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.823 7.243 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.845 9.729 -3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.208 10.247 -4.169 1.00 0.00 H new ATOM 630 N SER A 39 -0.426 6.524 -8.041 1.00 0.00 N ATOM 631 CA SER A 39 -1.010 6.397 -9.368 1.00 0.00 C ATOM 632 C SER A 39 -2.539 6.352 -9.313 1.00 0.00 C ATOM 633 O SER A 39 -3.207 6.782 -10.254 1.00 0.00 O ATOM 634 CB SER A 39 -0.465 5.145 -10.060 1.00 0.00 C ATOM 635 OG SER A 39 -0.904 5.058 -11.407 1.00 0.00 O ATOM 0 H SER A 39 -0.097 5.646 -7.639 1.00 0.00 H new ATOM 0 HA SER A 39 -0.730 7.279 -9.943 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.625 5.159 -10.032 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.787 4.258 -9.514 1.00 0.00 H new ATOM 0 HG SER A 39 -0.537 4.248 -11.819 1.00 0.00 H new ATOM 641 N ARG A 40 -3.103 5.839 -8.222 1.00 0.00 N ATOM 642 CA ARG A 40 -4.554 5.769 -8.100 1.00 0.00 C ATOM 643 C ARG A 40 -5.073 7.048 -7.476 1.00 0.00 C ATOM 644 O ARG A 40 -6.188 7.495 -7.756 1.00 0.00 O ATOM 645 CB ARG A 40 -4.996 4.581 -7.247 1.00 0.00 C ATOM 646 CG ARG A 40 -4.439 3.242 -7.706 1.00 0.00 C ATOM 647 CD ARG A 40 -5.314 2.093 -7.261 1.00 0.00 C ATOM 648 NE ARG A 40 -6.621 2.100 -7.918 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.245 1.001 -8.350 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.707 -0.195 -8.160 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.410 1.095 -8.973 1.00 0.00 N ATOM 0 H ARG A 40 -2.586 5.472 -7.423 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.964 5.639 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.690 4.755 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.085 4.530 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.354 3.236 -8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.433 3.110 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.808 1.151 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.453 2.143 -6.181 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.084 2.999 -8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.811 -0.281 -7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.189 -1.030 -8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.835 2.010 -9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.882 0.253 -9.301 1.00 0.00 H new ATOM 665 N GLU A 41 -4.260 7.612 -6.602 1.00 0.00 N ATOM 666 CA GLU A 41 -4.614 8.813 -5.883 1.00 0.00 C ATOM 667 C GLU A 41 -3.668 9.962 -6.221 1.00 0.00 C ATOM 668 O GLU A 41 -2.708 10.219 -5.496 1.00 0.00 O ATOM 669 CB GLU A 41 -4.562 8.484 -4.411 1.00 0.00 C ATOM 670 CG GLU A 41 -5.108 7.116 -4.167 1.00 0.00 C ATOM 671 CD GLU A 41 -6.485 7.112 -3.557 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.221 8.106 -3.724 1.00 0.00 O ATOM 673 OE2 GLU A 41 -6.851 6.104 -2.936 1.00 0.00 O ATOM 0 H GLU A 41 -3.336 7.247 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.613 9.143 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.534 8.542 -4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.137 9.218 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.137 6.573 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.428 6.575 -3.509 1.00 0.00 H new ATOM 680 N PRO A 42 -3.927 10.675 -7.334 1.00 0.00 N ATOM 681 CA PRO A 42 -3.099 11.812 -7.761 1.00 0.00 C ATOM 682 C PRO A 42 -3.079 12.937 -6.728 1.00 0.00 C ATOM 683 O PRO A 42 -2.239 13.835 -6.785 1.00 0.00 O ATOM 684 CB PRO A 42 -3.769 12.291 -9.054 1.00 0.00 C ATOM 685 CG PRO A 42 -4.589 11.136 -9.518 1.00 0.00 C ATOM 686 CD PRO A 42 -5.034 10.424 -8.274 1.00 0.00 C ATOM 0 HA PRO A 42 -2.057 11.521 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.390 13.168 -8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.027 12.573 -9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.445 11.474 -10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.006 10.475 -10.159 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.979 10.818 -7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.181 9.358 -8.450 1.00 0.00 H new ATOM 694 N SER A 43 -4.004 12.870 -5.782 1.00 0.00 N ATOM 695 CA SER A 43 -4.119 13.864 -4.730 1.00 0.00 C ATOM 696 C SER A 43 -2.907 13.839 -3.800 1.00 0.00 C ATOM 697 O SER A 43 -2.592 14.837 -3.157 1.00 0.00 O ATOM 698 CB SER A 43 -5.394 13.602 -3.936 1.00 0.00 C ATOM 699 OG SER A 43 -6.500 13.441 -4.809 1.00 0.00 O ATOM 0 H SER A 43 -4.696 12.123 -5.724 1.00 0.00 H new ATOM 0 HA SER A 43 -4.160 14.852 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.272 12.707 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.580 14.431 -3.253 1.00 0.00 H new ATOM 0 HG SER A 43 -7.310 13.272 -4.283 1.00 0.00 H new ATOM 705 N LEU A 44 -2.217 12.708 -3.750 1.00 0.00 N ATOM 706 CA LEU A 44 -1.092 12.549 -2.840 1.00 0.00 C ATOM 707 C LEU A 44 0.215 12.369 -3.596 1.00 0.00 C ATOM 708 O LEU A 44 1.224 11.963 -3.021 1.00 0.00 O ATOM 709 CB LEU A 44 -1.327 11.384 -1.865 1.00 0.00 C ATOM 710 CG LEU A 44 -1.746 10.040 -2.471 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.528 9.236 -2.899 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.579 9.262 -1.464 1.00 0.00 C ATOM 0 H LEU A 44 -2.416 11.890 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.013 13.466 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.410 11.228 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.094 11.688 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.349 10.227 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.851 8.286 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.034 9.797 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.106 9.048 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.875 8.307 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.990 9.085 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.469 9.836 -1.208 1.00 0.00 H new ATOM 724 N LYS A 45 0.210 12.702 -4.880 1.00 0.00 N ATOM 725 CA LYS A 45 1.427 12.593 -5.677 1.00 0.00 C ATOM 726 C LYS A 45 2.344 13.781 -5.394 1.00 0.00 C ATOM 727 O LYS A 45 3.458 13.860 -5.912 1.00 0.00 O ATOM 728 CB LYS A 45 1.105 12.498 -7.173 1.00 0.00 C ATOM 729 CG LYS A 45 0.727 13.813 -7.818 1.00 0.00 C ATOM 730 CD LYS A 45 0.278 13.607 -9.250 1.00 0.00 C ATOM 731 CE LYS A 45 0.425 14.885 -10.054 1.00 0.00 C ATOM 732 NZ LYS A 45 -0.445 15.978 -9.541 1.00 0.00 N ATOM 0 H LYS A 45 -0.607 13.044 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 45 1.942 11.675 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.971 12.089 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.287 11.791 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.072 14.285 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.580 14.492 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.868 12.814 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.762 13.281 -9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.465 15.210 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.178 14.686 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.348 16.814 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.436 15.662 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.160 16.223 -8.571 1.00 0.00 H new ATOM 746 N ASN A 46 1.861 14.703 -4.563 1.00 0.00 N ATOM 747 CA ASN A 46 2.660 15.844 -4.130 1.00 0.00 C ATOM 748 C ASN A 46 3.726 15.388 -3.142 1.00 0.00 C ATOM 749 O ASN A 46 4.762 16.036 -2.983 1.00 0.00 O ATOM 750 CB ASN A 46 1.782 16.924 -3.480 1.00 0.00 C ATOM 751 CG ASN A 46 1.112 16.461 -2.195 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.705 16.513 -1.117 1.00 0.00 O ATOM 753 ND2 ASN A 46 -0.141 16.040 -2.291 1.00 0.00 N ATOM 0 H ASN A 46 0.917 14.680 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 46 3.137 16.274 -5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.394 17.801 -3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.015 17.235 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.646 15.746 -1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.601 16.010 -3.201 1.00 0.00 H new ATOM 760 N SER A 47 3.453 14.279 -2.470 1.00 0.00 N ATOM 761 CA SER A 47 4.396 13.703 -1.534 1.00 0.00 C ATOM 762 C SER A 47 5.588 13.141 -2.301 1.00 0.00 C ATOM 763 O SER A 47 5.406 12.402 -3.273 1.00 0.00 O ATOM 764 CB SER A 47 3.714 12.598 -0.724 1.00 0.00 C ATOM 765 OG SER A 47 2.519 13.074 -0.126 1.00 0.00 O ATOM 0 H SER A 47 2.579 13.760 -2.559 1.00 0.00 H new ATOM 0 HA SER A 47 4.746 14.472 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.489 11.752 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.393 12.236 0.048 1.00 0.00 H new ATOM 0 HG SER A 47 1.945 12.315 0.106 1.00 0.00 H new ATOM 771 N ASN A 48 6.796 13.503 -1.879 1.00 0.00 N ATOM 772 CA ASN A 48 8.008 13.059 -2.562 1.00 0.00 C ATOM 773 C ASN A 48 8.026 11.540 -2.623 1.00 0.00 C ATOM 774 O ASN A 48 7.825 10.879 -1.606 1.00 0.00 O ATOM 775 CB ASN A 48 9.264 13.555 -1.837 1.00 0.00 C ATOM 776 CG ASN A 48 9.268 15.052 -1.605 1.00 0.00 C ATOM 777 OD1 ASN A 48 8.649 15.817 -2.345 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.984 15.481 -0.582 1.00 0.00 N ATOM 0 H ASN A 48 6.962 14.101 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 48 8.006 13.475 -3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.347 13.045 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.144 13.282 -2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.039 16.479 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.482 14.814 0.007 1.00 0.00 H new ATOM 785 N PRO A 49 8.248 10.965 -3.814 1.00 0.00 N ATOM 786 CA PRO A 49 8.165 9.516 -4.021 1.00 0.00 C ATOM 787 C PRO A 49 9.140 8.709 -3.164 1.00 0.00 C ATOM 788 O PRO A 49 9.014 7.493 -3.081 1.00 0.00 O ATOM 789 CB PRO A 49 8.478 9.323 -5.506 1.00 0.00 C ATOM 790 CG PRO A 49 9.103 10.599 -5.961 1.00 0.00 C ATOM 791 CD PRO A 49 8.581 11.682 -5.058 1.00 0.00 C ATOM 0 HA PRO A 49 7.181 9.150 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.154 8.481 -5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.571 9.109 -6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.190 10.539 -5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.848 10.806 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.329 12.456 -4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.706 12.173 -5.485 1.00 0.00 H new ATOM 799 N ASP A 50 10.103 9.372 -2.529 1.00 0.00 N ATOM 800 CA ASP A 50 11.018 8.690 -1.618 1.00 0.00 C ATOM 801 C ASP A 50 10.483 8.712 -0.190 1.00 0.00 C ATOM 802 O ASP A 50 10.705 7.779 0.585 1.00 0.00 O ATOM 803 CB ASP A 50 12.420 9.304 -1.664 1.00 0.00 C ATOM 804 CG ASP A 50 13.106 9.078 -2.996 1.00 0.00 C ATOM 805 OD1 ASP A 50 12.857 8.031 -3.628 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.902 9.951 -3.415 1.00 0.00 O ATOM 0 H ASP A 50 10.269 10.374 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 50 11.091 7.654 -1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.351 10.375 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.028 8.875 -0.868 1.00 0.00 H new ATOM 811 N GLU A 51 9.728 9.752 0.122 1.00 0.00 N ATOM 812 CA GLU A 51 9.164 9.951 1.451 1.00 0.00 C ATOM 813 C GLU A 51 7.664 10.151 1.325 1.00 0.00 C ATOM 814 O GLU A 51 7.135 11.202 1.690 1.00 0.00 O ATOM 815 CB GLU A 51 9.788 11.179 2.123 1.00 0.00 C ATOM 816 CG GLU A 51 10.838 10.846 3.164 1.00 0.00 C ATOM 817 CD GLU A 51 11.404 12.083 3.823 1.00 0.00 C ATOM 818 OE1 GLU A 51 12.391 12.643 3.304 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.857 12.508 4.863 1.00 0.00 O ATOM 0 H GLU A 51 9.486 10.488 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 51 9.377 9.075 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.238 11.810 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.998 11.764 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.400 10.200 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.646 10.285 2.695 1.00 0.00 H new ATOM 826 N ILE A 52 6.986 9.152 0.789 1.00 0.00 N ATOM 827 CA ILE A 52 5.587 9.303 0.434 1.00 0.00 C ATOM 828 C ILE A 52 4.704 9.296 1.676 1.00 0.00 C ATOM 829 O ILE A 52 5.038 8.673 2.686 1.00 0.00 O ATOM 830 CB ILE A 52 5.127 8.207 -0.558 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.510 7.023 0.156 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.299 7.722 -1.389 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.556 6.255 -0.723 1.00 0.00 C ATOM 0 H ILE A 52 7.379 8.232 0.591 1.00 0.00 H new ATOM 0 HA ILE A 52 5.484 10.268 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 52 4.371 8.656 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.301 6.356 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.981 7.372 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.960 6.952 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.717 8.557 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.064 7.308 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.141 5.416 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.748 6.912 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.088 5.880 -1.597 1.00 0.00 H new ATOM 845 N GLU A 53 3.589 10.007 1.598 1.00 0.00 N ATOM 846 CA GLU A 53 2.652 10.074 2.702 1.00 0.00 C ATOM 847 C GLU A 53 1.303 9.522 2.270 1.00 0.00 C ATOM 848 O GLU A 53 0.644 10.078 1.389 1.00 0.00 O ATOM 849 CB GLU A 53 2.500 11.522 3.188 1.00 0.00 C ATOM 850 CG GLU A 53 1.570 11.694 4.386 1.00 0.00 C ATOM 851 CD GLU A 53 1.690 13.064 5.014 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.812 13.446 5.411 1.00 0.00 O ATOM 853 OE2 GLU A 53 0.666 13.769 5.108 1.00 0.00 O ATOM 0 H GLU A 53 3.313 10.546 0.777 1.00 0.00 H new ATOM 0 HA GLU A 53 3.036 9.471 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.485 11.909 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.127 12.131 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.540 11.531 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.798 10.933 5.133 1.00 0.00 H new ATOM 860 N ILE A 54 0.907 8.424 2.880 1.00 0.00 N ATOM 861 CA ILE A 54 -0.370 7.799 2.573 1.00 0.00 C ATOM 862 C ILE A 54 -1.381 8.138 3.657 1.00 0.00 C ATOM 863 O ILE A 54 -1.052 8.100 4.840 1.00 0.00 O ATOM 864 CB ILE A 54 -0.242 6.267 2.474 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.783 5.867 1.415 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.583 5.651 2.136 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.126 4.396 1.448 1.00 0.00 C ATOM 0 H ILE A 54 1.451 7.942 3.595 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.702 8.183 1.608 1.00 0.00 H new ATOM 0 HB ILE A 54 0.096 5.897 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.396 6.122 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.693 6.449 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.479 4.568 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.304 5.899 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.933 6.042 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.859 4.176 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.542 4.141 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.225 3.808 1.273 1.00 0.00 H new ATOM 879 N ASP A 55 -2.605 8.463 3.260 1.00 0.00 N ATOM 880 CA ASP A 55 -3.653 8.754 4.230 1.00 0.00 C ATOM 881 C ASP A 55 -4.739 7.706 4.097 1.00 0.00 C ATOM 882 O ASP A 55 -5.636 7.829 3.260 1.00 0.00 O ATOM 883 CB ASP A 55 -4.240 10.151 4.015 1.00 0.00 C ATOM 884 CG ASP A 55 -5.210 10.551 5.118 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.114 9.760 5.453 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.062 11.661 5.665 1.00 0.00 O ATOM 0 H ASP A 55 -2.895 8.531 2.284 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.225 8.730 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.430 10.879 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.754 10.182 3.054 1.00 0.00 H new ATOM 891 N PHE A 56 -4.661 6.680 4.927 1.00 0.00 N ATOM 892 CA PHE A 56 -5.508 5.511 4.777 1.00 0.00 C ATOM 893 C PHE A 56 -6.990 5.811 4.978 1.00 0.00 C ATOM 894 O PHE A 56 -7.838 4.987 4.642 1.00 0.00 O ATOM 895 CB PHE A 56 -5.038 4.402 5.712 1.00 0.00 C ATOM 896 CG PHE A 56 -4.183 3.402 5.002 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.832 3.627 4.796 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.746 2.250 4.506 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.064 2.708 4.104 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.988 1.331 3.822 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.647 1.557 3.616 1.00 0.00 C ATOM 0 H PHE A 56 -4.016 6.634 5.716 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.411 5.176 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.477 4.837 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.904 3.899 6.143 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.374 4.527 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.799 2.065 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.011 2.891 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.446 0.429 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.053 0.836 3.074 1.00 0.00 H new ATOM 911 N GLU A 57 -7.310 6.989 5.489 1.00 0.00 N ATOM 912 CA GLU A 57 -8.697 7.383 5.666 1.00 0.00 C ATOM 913 C GLU A 57 -9.221 8.169 4.471 1.00 0.00 C ATOM 914 O GLU A 57 -10.370 8.612 4.467 1.00 0.00 O ATOM 915 CB GLU A 57 -8.839 8.193 6.944 1.00 0.00 C ATOM 916 CG GLU A 57 -8.710 7.339 8.187 1.00 0.00 C ATOM 917 CD GLU A 57 -9.857 6.358 8.322 1.00 0.00 C ATOM 918 OE1 GLU A 57 -10.891 6.720 8.918 1.00 0.00 O ATOM 919 OE2 GLU A 57 -9.734 5.217 7.826 1.00 0.00 O ATOM 0 H GLU A 57 -6.629 7.687 5.788 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.299 6.478 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.078 8.973 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.808 8.692 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.767 6.793 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.677 7.982 9.067 1.00 0.00 H new ATOM 926 N THR A 58 -8.387 8.343 3.454 1.00 0.00 N ATOM 927 CA THR A 58 -8.811 9.058 2.260 1.00 0.00 C ATOM 928 C THR A 58 -8.639 8.221 0.996 1.00 0.00 C ATOM 929 O THR A 58 -9.170 8.574 -0.058 1.00 0.00 O ATOM 930 CB THR A 58 -8.052 10.388 2.101 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.640 10.151 2.050 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.368 11.318 3.257 1.00 0.00 C ATOM 0 H THR A 58 -7.425 8.003 3.432 1.00 0.00 H new ATOM 0 HA THR A 58 -9.873 9.266 2.391 1.00 0.00 H new ATOM 0 HB THR A 58 -8.371 10.855 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.441 9.274 2.439 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.824 12.254 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.439 11.521 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.069 10.848 4.194 1.00 0.00 H new ATOM 940 N LEU A 59 -7.905 7.114 1.096 1.00 0.00 N ATOM 941 CA LEU A 59 -7.680 6.258 -0.069 1.00 0.00 C ATOM 942 C LEU A 59 -8.995 5.650 -0.531 1.00 0.00 C ATOM 943 O LEU A 59 -9.858 5.304 0.283 1.00 0.00 O ATOM 944 CB LEU A 59 -6.695 5.116 0.218 1.00 0.00 C ATOM 945 CG LEU A 59 -5.525 5.449 1.136 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.605 4.243 1.280 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.766 6.671 0.631 1.00 0.00 C ATOM 0 H LEU A 59 -7.462 6.792 1.956 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.251 6.894 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.250 4.288 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.295 4.762 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.918 5.694 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.774 4.496 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.163 3.408 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.219 3.961 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.936 6.888 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.380 6.472 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.438 7.528 0.597 1.00 0.00 H new ATOM 959 N LYS A 60 -9.132 5.530 -1.835 1.00 0.00 N ATOM 960 CA LYS A 60 -10.286 4.905 -2.446 1.00 0.00 C ATOM 961 C LYS A 60 -10.318 3.420 -2.084 1.00 0.00 C ATOM 962 O LYS A 60 -9.270 2.790 -1.920 1.00 0.00 O ATOM 963 CB LYS A 60 -10.202 5.076 -3.965 1.00 0.00 C ATOM 964 CG LYS A 60 -10.021 6.520 -4.413 1.00 0.00 C ATOM 965 CD LYS A 60 -9.960 6.631 -5.928 1.00 0.00 C ATOM 966 CE LYS A 60 -9.742 8.069 -6.374 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.381 8.568 -6.039 1.00 0.00 N ATOM 0 H LYS A 60 -8.441 5.866 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.199 5.375 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.370 4.482 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.110 4.677 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.846 7.125 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.106 6.924 -3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.152 6.005 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.887 6.252 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.897 8.140 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.487 8.710 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.336 9.593 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.176 8.371 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.678 8.089 -6.637 1.00 0.00 H new ATOM 981 N PRO A 61 -11.528 2.847 -1.945 1.00 0.00 N ATOM 982 CA PRO A 61 -11.703 1.426 -1.609 1.00 0.00 C ATOM 983 C PRO A 61 -11.010 0.510 -2.610 1.00 0.00 C ATOM 984 O PRO A 61 -10.593 -0.598 -2.270 1.00 0.00 O ATOM 985 CB PRO A 61 -13.221 1.211 -1.669 1.00 0.00 C ATOM 986 CG PRO A 61 -13.833 2.569 -1.562 1.00 0.00 C ATOM 987 CD PRO A 61 -12.817 3.549 -2.092 1.00 0.00 C ATOM 0 HA PRO A 61 -11.267 1.190 -0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.510 0.725 -2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.556 0.567 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.758 2.622 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.087 2.798 -0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.015 3.805 -3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.830 4.481 -1.527 1.00 0.00 H new ATOM 995 N SER A 62 -10.884 0.983 -3.841 1.00 0.00 N ATOM 996 CA SER A 62 -10.212 0.224 -4.881 1.00 0.00 C ATOM 997 C SER A 62 -8.709 0.225 -4.641 1.00 0.00 C ATOM 998 O SER A 62 -8.032 -0.778 -4.866 1.00 0.00 O ATOM 999 CB SER A 62 -10.533 0.812 -6.254 1.00 0.00 C ATOM 1000 OG SER A 62 -10.337 2.217 -6.261 1.00 0.00 O ATOM 0 H SER A 62 -11.239 1.890 -4.143 1.00 0.00 H new ATOM 0 HA SER A 62 -10.569 -0.806 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.899 0.349 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.565 0.583 -6.520 1.00 0.00 H new ATOM 0 HG SER A 62 -10.547 2.572 -7.150 1.00 0.00 H new ATOM 1006 N THR A 63 -8.201 1.355 -4.165 1.00 0.00 N ATOM 1007 CA THR A 63 -6.796 1.486 -3.836 1.00 0.00 C ATOM 1008 C THR A 63 -6.439 0.518 -2.718 1.00 0.00 C ATOM 1009 O THR A 63 -5.506 -0.266 -2.847 1.00 0.00 O ATOM 1010 CB THR A 63 -6.452 2.929 -3.404 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.230 3.855 -4.171 1.00 0.00 O ATOM 1012 CG2 THR A 63 -4.979 3.227 -3.629 1.00 0.00 C ATOM 0 H THR A 63 -8.751 2.198 -3.999 1.00 0.00 H new ATOM 0 HA THR A 63 -6.215 1.251 -4.728 1.00 0.00 H new ATOM 0 HB THR A 63 -6.676 3.030 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.406 4.656 -3.635 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.763 4.249 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.374 2.533 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.742 3.113 -4.687 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.225 0.547 -1.644 1.00 0.00 N ATOM 1021 CA LEU A 64 -7.010 -0.336 -0.498 1.00 0.00 C ATOM 1022 C LEU A 64 -7.000 -1.799 -0.917 1.00 0.00 C ATOM 1023 O LEU A 64 -6.166 -2.576 -0.463 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.097 -0.121 0.562 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.014 1.194 1.339 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.203 1.348 2.275 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.729 1.254 2.135 1.00 0.00 C ATOM 0 H LEU A 64 -8.021 1.176 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.036 -0.087 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.070 -0.173 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.053 -0.946 1.273 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.029 2.012 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.121 2.291 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.126 1.342 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.216 0.522 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.684 2.195 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.698 0.423 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.878 1.187 1.457 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.902 -2.164 -1.807 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.036 -3.554 -2.208 1.00 0.00 C ATOM 1041 C ARG A 65 -6.967 -3.937 -3.224 1.00 0.00 C ATOM 1042 O ARG A 65 -6.730 -5.113 -3.462 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.439 -3.828 -2.755 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.438 -4.326 -1.707 1.00 0.00 C ATOM 1045 CD ARG A 65 -10.036 -5.634 -1.032 1.00 0.00 C ATOM 1046 NE ARG A 65 -11.186 -6.213 -0.326 1.00 0.00 N ATOM 1047 CZ ARG A 65 -11.114 -6.993 0.756 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.945 -7.324 1.280 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -12.230 -7.444 1.314 1.00 0.00 N ATOM 0 H ARG A 65 -8.550 -1.523 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.891 -4.176 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.826 -2.913 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.367 -4.568 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.559 -3.558 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.410 -4.459 -2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.665 -6.338 -1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.222 -5.455 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.115 -6.003 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.082 -6.983 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.907 -7.921 2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.136 -7.195 0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.182 -8.040 2.140 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.316 -2.941 -3.813 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.201 -3.187 -4.707 1.00 0.00 C ATOM 1065 C GLU A 66 -3.906 -3.264 -3.907 1.00 0.00 C ATOM 1066 O GLU A 66 -3.039 -4.089 -4.187 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.133 -2.082 -5.760 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.940 -2.176 -6.696 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.011 -3.377 -7.614 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.759 -3.314 -8.614 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.327 -4.385 -7.346 1.00 0.00 O ATOM 0 H GLU A 66 -6.545 -1.955 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.343 -4.139 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.047 -2.106 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.107 -1.117 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.882 -1.268 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.024 -2.228 -6.107 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.802 -2.423 -2.885 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.639 -2.404 -2.018 1.00 0.00 C ATOM 1080 C LEU A 67 -2.590 -3.708 -1.236 1.00 0.00 C ATOM 1081 O LEU A 67 -1.587 -4.421 -1.244 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.737 -1.209 -1.056 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.911 0.151 -1.732 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.021 1.256 -0.693 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.771 0.427 -2.692 1.00 0.00 C ATOM 0 H LEU A 67 -4.519 -1.741 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.729 -2.303 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.577 -1.373 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.836 -1.181 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.837 0.129 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.144 2.216 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.882 1.068 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.115 1.277 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.917 1.400 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.827 0.425 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.747 -0.346 -3.460 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.716 -4.030 -0.612 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.837 -5.215 0.228 1.00 0.00 C ATOM 1099 C GLU A 68 -3.705 -6.499 -0.591 1.00 0.00 C ATOM 1100 O GLU A 68 -2.903 -7.372 -0.252 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.179 -5.210 0.950 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.352 -6.377 1.892 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.785 -6.846 1.951 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.400 -7.009 0.876 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.298 -7.069 3.066 1.00 0.00 O ATOM 0 H GLU A 68 -4.571 -3.477 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.026 -5.188 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.279 -4.281 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.981 -5.225 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.714 -7.200 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.023 -6.089 2.891 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.506 -6.622 -1.656 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.437 -7.805 -2.527 1.00 0.00 C ATOM 1114 C ARG A 69 -3.013 -8.068 -3.013 1.00 0.00 C ATOM 1115 O ARG A 69 -2.574 -9.216 -3.101 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.363 -7.658 -3.732 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.405 -8.900 -4.598 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.885 -8.585 -6.006 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.047 -7.579 -6.665 1.00 0.00 N ATOM 1120 CZ ARG A 69 -4.522 -7.724 -7.885 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -4.722 -8.838 -8.576 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -3.796 -6.748 -8.415 1.00 0.00 N ATOM 0 H ARG A 69 -5.201 -5.929 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.762 -8.654 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.370 -7.430 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.035 -6.812 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.412 -9.347 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.066 -9.638 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.887 -9.499 -6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.914 -8.228 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.852 -6.714 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.280 -9.592 -8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.318 -8.940 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.639 -5.887 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.395 -6.859 -9.346 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.289 -7.006 -3.306 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.950 -7.135 -3.850 1.00 0.00 C ATOM 1138 C TYR A 70 0.049 -7.545 -2.775 1.00 0.00 C ATOM 1139 O TYR A 70 0.840 -8.464 -2.975 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.516 -5.827 -4.516 1.00 0.00 C ATOM 1141 CG TYR A 70 0.969 -5.744 -4.776 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.544 -6.327 -5.897 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.793 -5.086 -3.880 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.905 -6.256 -6.115 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.154 -5.009 -4.089 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.704 -5.596 -5.208 1.00 0.00 C ATOM 1147 OH TYR A 70 5.061 -5.525 -5.417 1.00 0.00 O ATOM 0 H TYR A 70 -2.604 -6.045 -3.177 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.969 -7.922 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.048 -5.716 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.813 -4.991 -3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.917 -6.844 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.363 -4.625 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.340 -6.715 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.784 -4.492 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 70 5.457 -4.893 -4.781 1.00 0.00 H new ATOM 1157 N VAL A 71 0.017 -6.875 -1.637 1.00 0.00 N ATOM 1158 CA VAL A 71 0.976 -7.155 -0.580 1.00 0.00 C ATOM 1159 C VAL A 71 0.790 -8.555 -0.020 1.00 0.00 C ATOM 1160 O VAL A 71 1.762 -9.269 0.191 1.00 0.00 O ATOM 1161 CB VAL A 71 0.888 -6.141 0.565 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.214 -4.749 0.076 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.478 -6.166 1.209 1.00 0.00 C ATOM 0 H VAL A 71 -0.656 -6.139 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 71 1.962 -7.076 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 71 1.624 -6.424 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.145 -4.046 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.226 -4.733 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.507 -4.462 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.512 -5.437 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.235 -5.919 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.674 -7.161 1.609 1.00 0.00 H new ATOM 1173 N THR A 72 -0.460 -8.948 0.197 1.00 0.00 N ATOM 1174 CA THR A 72 -0.769 -10.262 0.741 1.00 0.00 C ATOM 1175 C THR A 72 -0.210 -11.358 -0.168 1.00 0.00 C ATOM 1176 O THR A 72 0.200 -12.416 0.304 1.00 0.00 O ATOM 1177 CB THR A 72 -2.293 -10.441 0.964 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.543 -11.560 1.825 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.029 -10.648 -0.348 1.00 0.00 C ATOM 0 H THR A 72 -1.278 -8.371 0.003 1.00 0.00 H new ATOM 0 HA THR A 72 -0.290 -10.346 1.716 1.00 0.00 H new ATOM 0 HB THR A 72 -2.662 -9.527 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.487 -11.566 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.094 -10.770 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.875 -9.782 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.647 -11.541 -0.843 1.00 0.00 H new ATOM 1187 N SER A 73 -0.145 -11.073 -1.465 1.00 0.00 N ATOM 1188 CA SER A 73 0.427 -12.012 -2.419 1.00 0.00 C ATOM 1189 C SER A 73 1.919 -12.204 -2.131 1.00 0.00 C ATOM 1190 O SER A 73 2.477 -13.283 -2.335 1.00 0.00 O ATOM 1191 CB SER A 73 0.218 -11.519 -3.862 1.00 0.00 C ATOM 1192 OG SER A 73 1.254 -10.639 -4.276 1.00 0.00 O ATOM 0 H SER A 73 -0.481 -10.202 -1.877 1.00 0.00 H new ATOM 0 HA SER A 73 -0.081 -12.970 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.178 -12.375 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.743 -11.009 -3.936 1.00 0.00 H new ATOM 0 HG SER A 73 1.008 -9.717 -4.055 1.00 0.00 H new ATOM 1198 N CYS A 74 2.543 -11.145 -1.620 1.00 0.00 N ATOM 1199 CA CYS A 74 3.972 -11.133 -1.350 1.00 0.00 C ATOM 1200 C CYS A 74 4.273 -11.636 0.062 1.00 0.00 C ATOM 1201 O CYS A 74 5.163 -12.454 0.254 1.00 0.00 O ATOM 1202 CB CYS A 74 4.522 -9.718 -1.538 1.00 0.00 C ATOM 1203 SG CYS A 74 6.303 -9.571 -1.269 1.00 0.00 S ATOM 0 H CYS A 74 2.069 -10.273 -1.383 1.00 0.00 H new ATOM 0 HA CYS A 74 4.460 -11.806 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.290 -9.382 -2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.006 -9.046 -0.852 1.00 0.00 H new ATOM 0 HG CYS A 74 6.721 -10.583 -0.568 1.00 0.00 H new ATOM 1209 N LEU A 75 3.528 -11.144 1.051 1.00 0.00 N ATOM 1210 CA LEU A 75 3.677 -11.603 2.435 1.00 0.00 C ATOM 1211 C LEU A 75 3.506 -13.115 2.527 1.00 0.00 C ATOM 1212 O LEU A 75 4.016 -13.757 3.445 1.00 0.00 O ATOM 1213 CB LEU A 75 2.639 -10.943 3.339 1.00 0.00 C ATOM 1214 CG LEU A 75 2.312 -9.501 3.016 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.117 -9.060 3.827 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.510 -8.622 3.300 1.00 0.00 C ATOM 0 H LEU A 75 2.814 -10.427 0.921 1.00 0.00 H new ATOM 0 HA LEU A 75 4.679 -11.327 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.719 -11.525 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.995 -10.994 4.368 1.00 0.00 H new ATOM 0 HG LEU A 75 2.068 -9.411 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.882 -8.021 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.260 -9.689 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.345 -9.151 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.265 -7.586 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.778 -8.701 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.351 -8.944 2.687 1.00 0.00 H new ATOM 1228 N ARG A 76 2.769 -13.672 1.579 1.00 0.00 N ATOM 1229 CA ARG A 76 2.500 -15.098 1.557 1.00 0.00 C ATOM 1230 C ARG A 76 3.319 -15.797 0.468 1.00 0.00 C ATOM 1231 O ARG A 76 3.036 -16.938 0.098 1.00 0.00 O ATOM 1232 CB ARG A 76 1.003 -15.311 1.364 1.00 0.00 C ATOM 1233 CG ARG A 76 0.196 -14.804 2.546 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.210 -14.413 2.145 1.00 0.00 C ATOM 1235 NE ARG A 76 -1.955 -15.505 1.527 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.090 -15.322 0.860 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.599 -14.099 0.739 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.720 -16.352 0.314 1.00 0.00 N ATOM 0 H ARG A 76 2.345 -13.153 0.811 1.00 0.00 H new ATOM 0 HA ARG A 76 2.802 -15.543 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.678 -14.799 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.804 -16.373 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.153 -15.576 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.700 -13.944 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.749 -14.067 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.163 -13.575 1.450 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.588 -16.453 1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.118 -13.303 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.470 -13.957 0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.334 -17.292 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.591 -16.205 -0.197 1.00 0.00 H new ATOM 1252 N LYS A 77 4.337 -15.099 -0.034 1.00 0.00 N ATOM 1253 CA LYS A 77 5.284 -15.673 -1.012 1.00 0.00 C ATOM 1254 C LYS A 77 6.556 -14.816 -1.071 1.00 0.00 C ATOM 1255 O LYS A 77 6.566 -13.756 -1.699 1.00 0.00 O ATOM 1256 CB LYS A 77 4.653 -15.775 -2.410 1.00 0.00 C ATOM 1257 CG LYS A 77 5.548 -16.482 -3.400 1.00 0.00 C ATOM 1258 CD LYS A 77 5.151 -16.166 -4.833 1.00 0.00 C ATOM 1259 CE LYS A 77 6.033 -16.898 -5.831 1.00 0.00 C ATOM 1260 NZ LYS A 77 5.709 -16.525 -7.231 1.00 0.00 N ATOM 0 H LYS A 77 4.535 -14.130 0.217 1.00 0.00 H new ATOM 0 HA LYS A 77 5.539 -16.681 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.704 -16.307 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.430 -14.774 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.583 -16.184 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.496 -17.558 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.110 -16.446 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.222 -15.092 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.079 -16.670 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.910 -17.974 -5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.332 -17.045 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.718 -16.766 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.850 -15.503 -7.359 1.00 0.00 H new ATOM 1274 N LYS A 78 7.641 -15.290 -0.451 1.00 0.00 N ATOM 1275 CA LYS A 78 8.789 -14.431 -0.179 1.00 0.00 C ATOM 1276 C LYS A 78 10.013 -14.782 -1.014 1.00 0.00 C ATOM 1277 O LYS A 78 11.014 -14.070 -0.955 1.00 0.00 O ATOM 1278 CB LYS A 78 9.183 -14.497 1.304 1.00 0.00 C ATOM 1279 CG LYS A 78 8.358 -13.600 2.219 1.00 0.00 C ATOM 1280 CD LYS A 78 6.905 -14.030 2.285 1.00 0.00 C ATOM 1281 CE LYS A 78 6.737 -15.367 2.986 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.203 -15.317 4.396 1.00 0.00 N ATOM 0 H LYS A 78 7.745 -16.253 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 78 8.469 -13.424 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.089 -15.528 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.234 -14.224 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.785 -13.615 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.415 -12.571 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.326 -13.270 2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.501 -14.097 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.688 -15.660 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.295 -16.132 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.833 -16.140 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.243 -15.333 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.860 -14.443 4.844 1.00 0.00 H new ATOM 1296 N ARG A 79 9.950 -15.866 -1.778 1.00 0.00 N ATOM 1297 CA ARG A 79 11.136 -16.362 -2.477 1.00 0.00 C ATOM 1298 C ARG A 79 11.528 -15.487 -3.681 1.00 0.00 C ATOM 1299 O ARG A 79 11.326 -15.846 -4.837 1.00 0.00 O ATOM 1300 CB ARG A 79 10.971 -17.848 -2.850 1.00 0.00 C ATOM 1301 CG ARG A 79 9.730 -18.190 -3.660 1.00 0.00 C ATOM 1302 CD ARG A 79 10.078 -18.388 -5.122 1.00 0.00 C ATOM 1303 NE ARG A 79 8.954 -18.903 -5.899 1.00 0.00 N ATOM 1304 CZ ARG A 79 8.926 -18.943 -7.233 1.00 0.00 C ATOM 1305 NH1 ARG A 79 9.913 -18.405 -7.938 1.00 0.00 N ATOM 1306 NH2 ARG A 79 7.904 -19.510 -7.860 1.00 0.00 N ATOM 0 H ARG A 79 9.104 -16.414 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 79 11.975 -16.290 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.849 -18.162 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.956 -18.435 -1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.271 -19.096 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.995 -17.391 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.404 -17.439 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.918 -19.078 -5.202 1.00 0.00 H new ATOM 0 HE ARG A 79 8.141 -19.253 -5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.696 -17.959 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.888 -18.437 -8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.138 -19.916 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.884 -19.540 -8.879 1.00 0.00 H new ATOM 1320 N LYS A 80 12.099 -14.325 -3.380 1.00 0.00 N ATOM 1321 CA LYS A 80 12.650 -13.428 -4.392 1.00 0.00 C ATOM 1322 C LYS A 80 13.812 -12.618 -3.819 1.00 0.00 C ATOM 1323 O LYS A 80 13.654 -11.441 -3.496 1.00 0.00 O ATOM 1324 CB LYS A 80 11.593 -12.458 -4.928 1.00 0.00 C ATOM 1325 CG LYS A 80 10.700 -13.044 -6.007 1.00 0.00 C ATOM 1326 CD LYS A 80 10.038 -11.951 -6.828 1.00 0.00 C ATOM 1327 CE LYS A 80 11.050 -11.202 -7.680 1.00 0.00 C ATOM 1328 NZ LYS A 80 10.445 -10.032 -8.363 1.00 0.00 N ATOM 0 H LYS A 80 12.193 -13.977 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 80 13.001 -14.055 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.970 -12.123 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.094 -11.576 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.290 -13.687 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.935 -13.671 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.274 -12.389 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.532 -11.251 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.876 -10.868 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.469 -11.879 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.161 -9.570 -8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.652 -10.348 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.098 -9.356 -7.653 1.00 0.00 H new ATOM 1342 N PRO A 81 14.990 -13.235 -3.667 1.00 0.00 N ATOM 1343 CA PRO A 81 16.179 -12.534 -3.181 1.00 0.00 C ATOM 1344 C PRO A 81 16.798 -11.634 -4.250 1.00 0.00 C ATOM 1345 O PRO A 81 17.056 -12.073 -5.374 1.00 0.00 O ATOM 1346 CB PRO A 81 17.128 -13.674 -2.815 1.00 0.00 C ATOM 1347 CG PRO A 81 16.741 -14.789 -3.721 1.00 0.00 C ATOM 1348 CD PRO A 81 15.257 -14.661 -3.935 1.00 0.00 C ATOM 0 HA PRO A 81 15.955 -11.866 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.169 -13.386 -2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.021 -13.958 -1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 81 17.278 -14.725 -4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.989 -15.754 -3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.973 -14.938 -4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.697 -15.308 -3.259 1.00 0.00 H new ATOM 1356 N GLN A 82 17.009 -10.371 -3.905 1.00 0.00 N ATOM 1357 CA GLN A 82 17.660 -9.431 -4.809 1.00 0.00 C ATOM 1358 C GLN A 82 18.972 -8.953 -4.198 1.00 0.00 C ATOM 1359 O GLN A 82 20.006 -8.899 -4.865 1.00 0.00 O ATOM 1360 CB GLN A 82 16.750 -8.235 -5.096 1.00 0.00 C ATOM 1361 CG GLN A 82 17.281 -7.319 -6.188 1.00 0.00 C ATOM 1362 CD GLN A 82 16.412 -6.097 -6.404 1.00 0.00 C ATOM 1363 OE1 GLN A 82 15.466 -6.122 -7.192 1.00 0.00 O ATOM 1364 NE2 GLN A 82 16.738 -5.014 -5.722 1.00 0.00 N ATOM 0 H GLN A 82 16.739 -9.973 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 82 17.864 -9.940 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.764 -8.599 -5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.620 -7.659 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.291 -7.000 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.353 -7.878 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.529 -5.035 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.198 -4.156 -5.838 1.00 0.00 H new ATOM 1373 N ALA A 83 18.917 -8.609 -2.922 1.00 0.00 N ATOM 1374 CA ALA A 83 20.098 -8.199 -2.185 1.00 0.00 C ATOM 1375 C ALA A 83 20.564 -9.326 -1.273 1.00 0.00 C ATOM 1376 O ALA A 83 21.429 -10.115 -1.699 1.00 0.00 O ATOM 1377 CB ALA A 83 19.806 -6.941 -1.382 1.00 0.00 C ATOM 1378 OXT ALA A 83 20.046 -9.433 -0.142 1.00 0.00 O ATOM 0 H ALA A 83 18.058 -8.606 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 83 20.897 -7.976 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.700 -6.644 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 83 19.511 -6.138 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.997 -7.138 -0.678 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.223 8.409 12.638 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.135 8.943 11.788 1.00 0.00 C ATOM 1387 C GLU B 201 -4.156 7.830 11.436 1.00 0.00 C ATOM 1388 O GLU B 201 -3.392 7.372 12.284 1.00 0.00 O ATOM 1389 CB GLU B 201 -4.400 10.076 12.517 1.00 0.00 C ATOM 1390 CG GLU B 201 -3.272 10.709 11.710 1.00 0.00 C ATOM 1391 CD GLU B 201 -3.769 11.497 10.514 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -4.043 10.888 9.462 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -3.882 12.738 10.621 1.00 0.00 O ATOM 0 HA GLU B 201 -5.569 9.339 10.870 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -5.120 10.850 12.782 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -3.991 9.688 13.450 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -2.695 11.368 12.358 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -2.595 9.927 11.367 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.195 7.388 10.187 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.298 6.341 9.720 1.00 0.00 C ATOM 1404 C ILE B 202 -2.482 6.845 8.531 1.00 0.00 C ATOM 1405 O ILE B 202 -2.929 6.792 7.380 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.070 5.059 9.320 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -4.854 4.497 10.511 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.116 4.003 8.771 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -3.984 3.972 11.637 1.00 0.00 C ATOM 0 H ILE B 202 -4.839 7.739 9.478 1.00 0.00 H new ATOM 0 HA ILE B 202 -2.630 6.086 10.543 1.00 0.00 H new ATOM 0 HB ILE B 202 -4.780 5.327 8.537 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -5.505 5.278 10.904 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.499 3.692 10.159 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.679 3.111 8.496 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.606 4.395 7.891 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.380 3.747 9.533 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -4.617 3.593 12.439 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.351 3.167 11.263 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.358 4.778 12.019 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.301 7.366 8.828 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.393 7.847 7.799 1.00 0.00 C ATOM 1423 C LYS B 203 0.742 6.858 7.595 1.00 0.00 C ATOM 1424 O LYS B 203 1.405 6.463 8.555 1.00 0.00 O ATOM 1425 CB LYS B 203 0.202 9.202 8.183 1.00 0.00 C ATOM 1426 CG LYS B 203 -0.818 10.310 8.374 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.133 11.641 8.650 1.00 0.00 C ATOM 1428 CE LYS B 203 0.635 11.620 9.964 1.00 0.00 C ATOM 1429 NZ LYS B 203 1.554 12.780 10.086 1.00 0.00 N ATOM 0 H LYS B 203 -0.948 7.467 9.780 1.00 0.00 H new ATOM 0 HA LYS B 203 -0.965 7.954 6.877 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.770 9.086 9.106 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.908 9.506 7.410 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.439 10.395 7.482 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.481 10.060 9.202 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.550 11.874 7.833 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -0.879 12.435 8.678 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -0.069 11.625 10.796 1.00 0.00 H new ATOM 0 HE3 LYS B 203 1.207 10.695 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 2.058 12.729 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 2.242 12.761 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 1.006 13.663 10.043 1.00 0.00 H new ATOM 1443 N LEU B 204 0.969 6.462 6.357 1.00 0.00 N ATOM 1444 CA LEU B 204 2.083 5.580 6.052 1.00 0.00 C ATOM 1445 C LEU B 204 3.181 6.362 5.344 1.00 0.00 C ATOM 1446 O LEU B 204 3.037 6.738 4.180 1.00 0.00 O ATOM 1447 CB LEU B 204 1.638 4.409 5.170 1.00 0.00 C ATOM 1448 CG LEU B 204 2.265 3.045 5.506 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.886 2.010 4.459 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.780 3.134 5.624 1.00 0.00 C ATOM 0 H LEU B 204 0.404 6.733 5.552 1.00 0.00 H new ATOM 0 HA LEU B 204 2.463 5.177 6.991 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.554 4.317 5.240 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.871 4.650 4.133 1.00 0.00 H new ATOM 0 HG LEU B 204 1.870 2.737 6.474 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.339 1.052 4.714 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.802 1.902 4.429 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.245 2.333 3.482 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.185 2.150 5.862 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.199 3.480 4.679 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.043 3.836 6.416 1.00 0.00 H new ATOM 1462 N LYS B 205 4.259 6.628 6.063 1.00 0.00 N ATOM 1463 CA LYS B 205 5.444 7.221 5.469 1.00 0.00 C ATOM 1464 C LYS B 205 6.339 6.112 4.942 1.00 0.00 C ATOM 1465 O LYS B 205 7.236 5.653 5.651 1.00 0.00 O ATOM 1466 CB LYS B 205 6.234 8.037 6.500 1.00 0.00 C ATOM 1467 CG LYS B 205 5.542 9.291 7.008 1.00 0.00 C ATOM 1468 CD LYS B 205 5.477 10.381 5.950 1.00 0.00 C ATOM 1469 CE LYS B 205 5.718 11.752 6.569 1.00 0.00 C ATOM 1470 NZ LYS B 205 5.493 12.859 5.603 1.00 0.00 N ATOM 0 H LYS B 205 4.337 6.441 7.063 1.00 0.00 H new ATOM 0 HA LYS B 205 5.128 7.885 4.664 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.457 7.395 7.352 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.188 8.323 6.058 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.532 9.040 7.331 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.072 9.667 7.883 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.222 10.190 5.178 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.502 10.363 5.463 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.057 11.882 7.426 1.00 0.00 H new ATOM 0 HE3 LYS B 205 6.740 11.803 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 5.861 13.747 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 5.987 12.648 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.474 12.958 5.419 1.00 0.00 H new ATOM 1484 N ILE B 206 6.093 5.645 3.728 1.00 0.00 N ATOM 1485 CA ILE B 206 6.941 4.603 3.183 1.00 0.00 C ATOM 1486 C ILE B 206 8.259 5.211 2.714 1.00 0.00 C ATOM 1487 O ILE B 206 8.354 5.737 1.600 1.00 0.00 O ATOM 1488 CB ILE B 206 6.334 3.819 1.996 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.828 3.626 2.091 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.968 2.446 1.973 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.209 3.234 0.765 1.00 0.00 C ATOM 0 H ILE B 206 5.337 5.960 3.119 1.00 0.00 H new ATOM 0 HA ILE B 206 7.073 3.891 3.998 1.00 0.00 H new ATOM 0 HB ILE B 206 6.531 4.402 1.096 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.609 2.857 2.832 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.368 4.549 2.444 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.558 1.870 1.144 1.00 0.00 H new ATOM 0 HG22 ILE B 206 8.046 2.545 1.847 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.758 1.932 2.911 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.133 3.109 0.888 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.401 4.014 0.029 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.646 2.296 0.422 1.00 0.00 H new ATOM 1503 N THR B 207 9.263 5.162 3.572 1.00 0.00 N ATOM 1504 CA THR B 207 10.582 5.652 3.224 1.00 0.00 C ATOM 1505 C THR B 207 11.362 4.583 2.466 1.00 0.00 C ATOM 1506 O THR B 207 11.759 3.567 3.037 1.00 0.00 O ATOM 1507 CB THR B 207 11.361 6.095 4.479 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.068 5.218 5.577 1.00 0.00 O ATOM 1509 CG2 THR B 207 11.008 7.525 4.862 1.00 0.00 C ATOM 0 H THR B 207 9.188 4.786 4.517 1.00 0.00 H new ATOM 0 HA THR B 207 10.459 6.522 2.579 1.00 0.00 H new ATOM 0 HB THR B 207 12.426 6.048 4.250 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.569 5.506 6.369 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.571 7.813 5.750 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.260 8.195 4.040 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.940 7.593 5.071 1.00 0.00 H new ATOM 1517 N LYS B 208 11.560 4.815 1.173 1.00 0.00 N ATOM 1518 CA LYS B 208 12.239 3.856 0.309 1.00 0.00 C ATOM 1519 C LYS B 208 12.595 4.517 -1.017 1.00 0.00 C ATOM 1520 O LYS B 208 12.536 5.740 -1.123 1.00 0.00 O ATOM 1521 CB LYS B 208 11.376 2.598 0.064 1.00 0.00 C ATOM 1522 CG LYS B 208 10.270 2.761 -0.980 1.00 0.00 C ATOM 1523 CD LYS B 208 9.084 3.543 -0.457 1.00 0.00 C ATOM 1524 CE LYS B 208 8.745 4.720 -1.350 1.00 0.00 C ATOM 1525 NZ LYS B 208 9.746 5.806 -1.248 1.00 0.00 N ATOM 0 H LYS B 208 11.257 5.665 0.697 1.00 0.00 H new ATOM 0 HA LYS B 208 13.151 3.536 0.813 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.030 1.783 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.921 2.299 1.008 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.675 3.266 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.936 1.776 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.219 2.884 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.301 3.901 0.549 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.682 4.383 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.762 5.107 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 9.345 6.685 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 10.001 5.950 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.596 5.547 -1.789 1.00 0.00 H new ATOM 1539 N THR B 209 12.960 3.696 -2.005 1.00 0.00 N ATOM 1540 CA THR B 209 13.314 4.140 -3.362 1.00 0.00 C ATOM 1541 C THR B 209 14.457 5.155 -3.365 1.00 0.00 C ATOM 1542 O THR B 209 14.717 5.805 -4.377 1.00 0.00 O ATOM 1543 CB THR B 209 12.105 4.698 -4.171 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.433 5.740 -3.455 1.00 0.00 O ATOM 1545 CG2 THR B 209 11.106 3.596 -4.515 1.00 0.00 C ATOM 0 H THR B 209 13.020 2.685 -1.885 1.00 0.00 H new ATOM 0 HA THR B 209 13.652 3.235 -3.866 1.00 0.00 H new ATOM 0 HB THR B 209 12.510 5.108 -5.096 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.944 6.572 -3.532 1.00 0.00 H new ATOM 0 HG21 THR B 209 10.276 4.021 -5.079 1.00 0.00 H new ATOM 0 HG22 THR B 209 11.600 2.832 -5.116 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.728 3.147 -3.596 1.00 0.00 H new ATOM 1553 N ILE B 210 15.160 5.261 -2.244 1.00 0.00 N ATOM 1554 CA ILE B 210 16.297 6.162 -2.137 1.00 0.00 C ATOM 1555 C ILE B 210 17.502 5.555 -2.850 1.00 0.00 C ATOM 1556 O ILE B 210 18.381 6.263 -3.339 1.00 0.00 O ATOM 1557 CB ILE B 210 16.642 6.470 -0.657 1.00 0.00 C ATOM 1558 CG1 ILE B 210 17.853 7.407 -0.568 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.893 5.183 0.121 1.00 0.00 C ATOM 1560 CD1 ILE B 210 18.212 7.807 0.847 1.00 0.00 C ATOM 0 H ILE B 210 14.961 4.732 -1.395 1.00 0.00 H new ATOM 0 HA ILE B 210 16.031 7.105 -2.614 1.00 0.00 H new ATOM 0 HB ILE B 210 15.787 6.974 -0.206 1.00 0.00 H new ATOM 0 HG12 ILE B 210 18.713 6.919 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE B 210 17.649 8.306 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE B 210 17.133 5.425 1.156 1.00 0.00 H new ATOM 0 HG22 ILE B 210 15.999 4.560 0.092 1.00 0.00 H new ATOM 0 HG23 ILE B 210 17.727 4.643 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE B 210 19.077 8.469 0.829 1.00 0.00 H new ATOM 0 HD12 ILE B 210 17.368 8.324 1.304 1.00 0.00 H new ATOM 0 HD13 ILE B 210 18.449 6.916 1.428 1.00 0.00 H new ATOM 1572 N GLN B 211 17.516 4.230 -2.922 1.00 0.00 N ATOM 1573 CA GLN B 211 18.562 3.504 -3.623 1.00 0.00 C ATOM 1574 C GLN B 211 17.952 2.659 -4.734 1.00 0.00 C ATOM 1575 O GLN B 211 17.867 1.434 -4.633 1.00 0.00 O ATOM 1576 CB GLN B 211 19.349 2.627 -2.648 1.00 0.00 C ATOM 1577 CG GLN B 211 20.182 3.421 -1.656 1.00 0.00 C ATOM 1578 CD GLN B 211 21.312 4.181 -2.322 1.00 0.00 C ATOM 1579 OE1 GLN B 211 22.420 3.669 -2.456 1.00 0.00 O ATOM 1580 NE2 GLN B 211 21.039 5.403 -2.753 1.00 0.00 N ATOM 0 H GLN B 211 16.806 3.633 -2.498 1.00 0.00 H new ATOM 0 HA GLN B 211 19.252 4.221 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN B 211 18.653 1.992 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN B 211 20.005 1.966 -3.214 1.00 0.00 H new ATOM 0 HG2 GLN B 211 19.538 4.124 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN B 211 20.595 2.743 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN B 211 20.106 5.793 -2.623 1.00 0.00 H new ATOM 0 HE22 GLN B 211 21.762 5.954 -3.215 1.00 0.00 H new ATOM 1589 N ASN B 212 17.510 3.325 -5.786 1.00 0.00 N ATOM 1590 CA ASN B 212 16.902 2.645 -6.916 1.00 0.00 C ATOM 1591 C ASN B 212 17.924 2.472 -8.027 1.00 0.00 C ATOM 1592 O ASN B 212 18.614 3.455 -8.363 1.00 0.00 O ATOM 1593 CB ASN B 212 15.664 3.400 -7.425 1.00 0.00 C ATOM 1594 CG ASN B 212 15.953 4.831 -7.837 1.00 0.00 C ATOM 1595 OD1 ASN B 212 16.296 5.106 -8.987 1.00 0.00 O ATOM 1596 ND2 ASN B 212 15.788 5.759 -6.910 1.00 0.00 N ATOM 1597 OXT ASN B 212 18.050 1.348 -8.549 1.00 0.00 O ATOM 0 H ASN B 212 17.561 4.339 -5.881 1.00 0.00 H new ATOM 0 HA ASN B 212 16.570 1.661 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN B 212 15.246 2.863 -8.276 1.00 0.00 H new ATOM 0 HB3 ASN B 212 14.903 3.402 -6.644 1.00 0.00 H new ATOM 0 HD21 ASN B 212 15.946 6.741 -7.137 1.00 0.00 H new ATOM 0 HD22 ASN B 212 15.503 5.493 -5.967 1.00 0.00 H new TER 1604 ASN B 212