USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 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 Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00489 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= -0.0412 (180deg=-0.24) USER MOD Single : A 5 GLN : amide:sc= -0.9 K(o=-0.9,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= -0.0324 (180deg=-0.185) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.73 K(o=-1.7,f=-5.2!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.00792 X(o=0.0079,f=-0.26) USER MOD Single : A 22 ASN : amide:sc= -1.95 X(o=-1.9,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.0272 (180deg=-0.211) USER MOD Single : B 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0153) USER MOD Single : B 2 SER OG : rot 180:sc= 0.00832 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= -0.039 (180deg=-0.222) USER MOD Single : B 5 GLN : amide:sc= -0.923 K(o=-0.92,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.141) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -1.97 K(o=-2,f=-5.6!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HE2:sc= 0.0103 X(o=0.01,f=-0.27) USER MOD Single : B 22 ASN : amide:sc= -2.06 X(o=-2.1,f=-2.4!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 167:sc=-0.00674 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.677 -6.696 -2.432 1.00 0.00 N ATOM 2 CA GLY A 1 -23.711 -6.730 -3.557 1.00 0.00 C ATOM 3 C GLY A 1 -22.654 -5.651 -3.438 1.00 0.00 C ATOM 4 O GLY A 1 -21.468 -5.915 -3.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.340 -7.493 -2.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.163 -6.770 -1.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.206 -5.801 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.228 -7.707 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.248 -6.608 -4.498 1.00 0.00 H new ATOM 10 N SER A 2 -23.081 -4.441 -3.088 1.00 0.00 N ATOM 11 CA SER A 2 -22.184 -3.298 -2.981 1.00 0.00 C ATOM 12 C SER A 2 -21.027 -3.574 -2.026 1.00 0.00 C ATOM 13 O SER A 2 -19.880 -3.237 -2.321 1.00 0.00 O ATOM 14 CB SER A 2 -22.971 -2.069 -2.521 1.00 0.00 C ATOM 15 OG SER A 2 -23.840 -2.396 -1.445 1.00 0.00 O ATOM 0 H SER A 2 -24.055 -4.227 -2.872 1.00 0.00 H new ATOM 0 HA SER A 2 -21.755 -3.111 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.280 -1.285 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.551 -1.671 -3.354 1.00 0.00 H new ATOM 0 HG SER A 2 -24.331 -1.595 -1.166 1.00 0.00 H new ATOM 21 N MET A 3 -21.327 -4.210 -0.899 1.00 0.00 N ATOM 22 CA MET A 3 -20.315 -4.501 0.110 1.00 0.00 C ATOM 23 C MET A 3 -19.164 -5.309 -0.472 1.00 0.00 C ATOM 24 O MET A 3 -18.008 -4.949 -0.303 1.00 0.00 O ATOM 25 CB MET A 3 -20.931 -5.247 1.295 1.00 0.00 C ATOM 26 CG MET A 3 -21.735 -4.355 2.224 1.00 0.00 C ATOM 27 SD MET A 3 -20.713 -3.115 3.042 1.00 0.00 S ATOM 28 CE MET A 3 -21.952 -2.226 3.983 1.00 0.00 C ATOM 0 H MET A 3 -22.264 -4.534 -0.661 1.00 0.00 H new ATOM 0 HA MET A 3 -19.919 -3.547 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.576 -6.040 0.918 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.135 -5.727 1.865 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.520 -3.857 1.655 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.228 -4.970 2.977 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.475 -1.423 4.546 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.691 -1.803 3.303 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.445 -2.910 4.674 1.00 0.00 H new ATOM 38 N LYS A 4 -19.484 -6.372 -1.195 1.00 0.00 N ATOM 39 CA LYS A 4 -18.461 -7.265 -1.734 1.00 0.00 C ATOM 40 C LYS A 4 -17.720 -6.645 -2.914 1.00 0.00 C ATOM 41 O LYS A 4 -16.666 -7.125 -3.307 1.00 0.00 O ATOM 42 CB LYS A 4 -19.085 -8.590 -2.162 1.00 0.00 C ATOM 43 CG LYS A 4 -19.496 -9.477 -0.998 1.00 0.00 C ATOM 44 CD LYS A 4 -18.293 -9.960 -0.196 1.00 0.00 C ATOM 45 CE LYS A 4 -17.349 -10.803 -1.047 1.00 0.00 C ATOM 46 NZ LYS A 4 -18.035 -11.983 -1.637 1.00 0.00 N ATOM 0 H LYS A 4 -20.441 -6.640 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.737 -7.439 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.960 -8.387 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.374 -9.131 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.171 -8.926 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.049 -10.337 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.754 -9.101 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.636 -10.546 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.934 -10.188 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.512 -11.139 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.327 -12.633 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.580 -12.473 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.678 -11.669 -2.391 1.00 0.00 H new ATOM 60 N GLN A 5 -18.256 -5.573 -3.457 1.00 0.00 N ATOM 61 CA GLN A 5 -17.659 -4.930 -4.614 1.00 0.00 C ATOM 62 C GLN A 5 -16.781 -3.786 -4.154 1.00 0.00 C ATOM 63 O GLN A 5 -15.663 -3.609 -4.635 1.00 0.00 O ATOM 64 CB GLN A 5 -18.737 -4.420 -5.570 1.00 0.00 C ATOM 65 CG GLN A 5 -19.552 -5.531 -6.215 1.00 0.00 C ATOM 66 CD GLN A 5 -20.645 -5.006 -7.125 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.686 -5.640 -7.290 1.00 0.00 O ATOM 68 NE2 GLN A 5 -20.415 -3.853 -7.733 1.00 0.00 N ATOM 0 H GLN A 5 -19.107 -5.125 -3.116 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.053 -5.660 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.409 -3.756 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.266 -3.825 -6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.887 -6.177 -6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.000 -6.147 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.539 -3.357 -7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.114 -3.461 -8.364 1.00 0.00 H new ATOM 77 N LEU A 6 -17.294 -3.022 -3.204 1.00 0.00 N ATOM 78 CA LEU A 6 -16.541 -1.942 -2.602 1.00 0.00 C ATOM 79 C LEU A 6 -15.414 -2.509 -1.754 1.00 0.00 C ATOM 80 O LEU A 6 -14.278 -2.052 -1.834 1.00 0.00 O ATOM 81 CB LEU A 6 -17.451 -1.056 -1.744 1.00 0.00 C ATOM 82 CG LEU A 6 -18.207 0.075 -2.468 1.00 0.00 C ATOM 83 CD1 LEU A 6 -17.248 1.164 -2.933 1.00 0.00 C ATOM 84 CD2 LEU A 6 -19.009 -0.460 -3.646 1.00 0.00 C ATOM 0 H LEU A 6 -18.237 -3.134 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 6 -16.119 -1.329 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.185 -1.696 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.844 -0.609 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.904 0.511 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.808 1.949 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.731 1.586 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.518 0.737 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.530 0.363 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.336 -0.937 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.736 -1.190 -3.290 1.00 0.00 H new ATOM 96 N GLU A 7 -15.731 -3.524 -0.952 1.00 0.00 N ATOM 97 CA GLU A 7 -14.722 -4.181 -0.129 1.00 0.00 C ATOM 98 C GLU A 7 -13.701 -4.907 -1.004 1.00 0.00 C ATOM 99 O GLU A 7 -12.537 -5.039 -0.619 1.00 0.00 O ATOM 100 CB GLU A 7 -15.370 -5.151 0.863 1.00 0.00 C ATOM 101 CG GLU A 7 -14.406 -5.716 1.890 1.00 0.00 C ATOM 102 CD GLU A 7 -15.099 -6.586 2.918 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.517 -7.707 2.560 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.222 -6.148 4.080 1.00 0.00 O ATOM 0 H GLU A 7 -16.672 -3.906 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.200 -3.413 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.179 -4.637 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.820 -5.975 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.640 -6.301 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.897 -4.896 2.396 1.00 0.00 H new ATOM 111 N ASP A 8 -14.123 -5.375 -2.186 1.00 0.00 N ATOM 112 CA ASP A 8 -13.169 -5.952 -3.137 1.00 0.00 C ATOM 113 C ASP A 8 -12.147 -4.915 -3.581 1.00 0.00 C ATOM 114 O ASP A 8 -11.008 -5.253 -3.895 1.00 0.00 O ATOM 115 CB ASP A 8 -13.870 -6.550 -4.358 1.00 0.00 C ATOM 116 CG ASP A 8 -13.936 -8.065 -4.302 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.441 -8.712 -5.247 1.00 0.00 O ATOM 118 OD2 ASP A 8 -14.459 -8.604 -3.305 1.00 0.00 O ATOM 0 H ASP A 8 -15.093 -5.366 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.653 -6.759 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.880 -6.147 -4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.343 -6.245 -5.262 1.00 0.00 H new ATOM 123 N LYS A 9 -12.557 -3.654 -3.598 1.00 0.00 N ATOM 124 CA LYS A 9 -11.655 -2.562 -3.940 1.00 0.00 C ATOM 125 C LYS A 9 -10.705 -2.286 -2.782 1.00 0.00 C ATOM 126 O LYS A 9 -9.503 -2.091 -2.980 1.00 0.00 O ATOM 127 CB LYS A 9 -12.446 -1.294 -4.270 1.00 0.00 C ATOM 128 CG LYS A 9 -13.496 -1.493 -5.346 1.00 0.00 C ATOM 129 CD LYS A 9 -14.310 -0.232 -5.575 1.00 0.00 C ATOM 130 CE LYS A 9 -15.446 -0.477 -6.554 1.00 0.00 C ATOM 131 NZ LYS A 9 -14.949 -0.962 -7.867 1.00 0.00 N ATOM 0 H LYS A 9 -13.509 -3.361 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.078 -2.855 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.932 -0.933 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.752 -0.517 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.012 -1.788 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.160 -2.308 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.715 0.119 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.662 0.557 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.136 -1.209 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.008 0.446 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.727 -0.956 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.186 -0.339 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.585 -1.931 -7.764 1.00 0.00 H new ATOM 145 N VAL A 10 -11.257 -2.286 -1.571 1.00 0.00 N ATOM 146 CA VAL A 10 -10.477 -2.028 -0.365 1.00 0.00 C ATOM 147 C VAL A 10 -9.371 -3.068 -0.213 1.00 0.00 C ATOM 148 O VAL A 10 -8.188 -2.733 -0.148 1.00 0.00 O ATOM 149 CB VAL A 10 -11.351 -2.062 0.911 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.593 -1.483 2.090 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.662 -1.322 0.721 1.00 0.00 C ATOM 0 H VAL A 10 -12.247 -2.463 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.052 -1.030 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.586 -3.107 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.223 -1.515 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.690 -2.068 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.321 -0.450 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.244 -1.371 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.459 -0.280 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.226 -1.783 -0.090 1.00 0.00 H new ATOM 161 N GLU A 11 -9.763 -4.336 -0.192 1.00 0.00 N ATOM 162 CA GLU A 11 -8.822 -5.428 0.032 1.00 0.00 C ATOM 163 C GLU A 11 -7.868 -5.586 -1.158 1.00 0.00 C ATOM 164 O GLU A 11 -6.799 -6.181 -1.032 1.00 0.00 O ATOM 165 CB GLU A 11 -9.581 -6.735 0.293 1.00 0.00 C ATOM 166 CG GLU A 11 -8.680 -7.897 0.681 1.00 0.00 C ATOM 167 CD GLU A 11 -9.450 -9.167 0.982 1.00 0.00 C ATOM 168 OE1 GLU A 11 -9.740 -9.415 2.169 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.768 -9.908 0.029 1.00 0.00 O ATOM 0 H GLU A 11 -10.729 -4.635 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.223 -5.189 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.309 -6.570 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.142 -7.004 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.975 -8.089 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.093 -7.618 1.556 1.00 0.00 H new ATOM 176 N GLU A 12 -8.248 -5.042 -2.309 1.00 0.00 N ATOM 177 CA GLU A 12 -7.369 -5.045 -3.470 1.00 0.00 C ATOM 178 C GLU A 12 -6.168 -4.152 -3.190 1.00 0.00 C ATOM 179 O GLU A 12 -5.017 -4.531 -3.425 1.00 0.00 O ATOM 180 CB GLU A 12 -8.110 -4.555 -4.717 1.00 0.00 C ATOM 181 CG GLU A 12 -7.261 -4.577 -5.977 1.00 0.00 C ATOM 182 CD GLU A 12 -8.001 -4.045 -7.187 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.579 -4.859 -7.935 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.001 -2.813 -7.385 1.00 0.00 O ATOM 0 H GLU A 12 -9.153 -4.596 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.034 -6.065 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.992 -5.176 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.462 -3.538 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.362 -3.983 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.936 -5.599 -6.174 1.00 0.00 H new ATOM 191 N LEU A 13 -6.442 -2.969 -2.656 1.00 0.00 N ATOM 192 CA LEU A 13 -5.384 -2.058 -2.256 1.00 0.00 C ATOM 193 C LEU A 13 -4.657 -2.606 -1.034 1.00 0.00 C ATOM 194 O LEU A 13 -3.487 -2.307 -0.807 1.00 0.00 O ATOM 195 CB LEU A 13 -5.948 -0.668 -1.969 1.00 0.00 C ATOM 196 CG LEU A 13 -6.563 0.040 -3.178 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.052 1.420 -2.789 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.556 0.140 -4.314 1.00 0.00 C ATOM 0 H LEU A 13 -7.386 -2.621 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.671 -1.970 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.707 -0.753 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.150 -0.044 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.413 -0.549 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.487 1.911 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.807 1.332 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.215 2.012 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.015 0.647 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.686 0.706 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.245 -0.861 -4.614 1.00 0.00 H new ATOM 210 N LEU A 14 -5.365 -3.416 -0.259 1.00 0.00 N ATOM 211 CA LEU A 14 -4.781 -4.107 0.884 1.00 0.00 C ATOM 212 C LEU A 14 -3.760 -5.136 0.406 1.00 0.00 C ATOM 213 O LEU A 14 -2.742 -5.373 1.053 1.00 0.00 O ATOM 214 CB LEU A 14 -5.881 -4.818 1.675 1.00 0.00 C ATOM 215 CG LEU A 14 -5.491 -5.279 3.079 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.294 -4.085 3.996 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.547 -6.217 3.644 1.00 0.00 C ATOM 0 H LEU A 14 -6.355 -3.613 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.285 -3.376 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.736 -4.147 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.210 -5.687 1.105 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.548 -5.821 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.017 -4.432 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.502 -3.449 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.221 -3.515 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.253 -6.535 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.504 -5.699 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.641 -7.090 2.998 1.00 0.00 H new ATOM 229 N SER A 15 -4.048 -5.727 -0.744 1.00 0.00 N ATOM 230 CA SER A 15 -3.217 -6.768 -1.318 1.00 0.00 C ATOM 231 C SER A 15 -1.921 -6.176 -1.851 1.00 0.00 C ATOM 232 O SER A 15 -0.845 -6.753 -1.679 1.00 0.00 O ATOM 233 CB SER A 15 -3.978 -7.491 -2.435 1.00 0.00 C ATOM 234 OG SER A 15 -3.229 -8.579 -2.951 1.00 0.00 O ATOM 0 H SER A 15 -4.868 -5.495 -1.305 1.00 0.00 H new ATOM 0 HA SER A 15 -2.970 -7.491 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.932 -7.853 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.203 -6.789 -3.238 1.00 0.00 H new ATOM 0 HG SER A 15 -3.741 -9.021 -3.660 1.00 0.00 H new ATOM 240 N LYS A 16 -2.010 -5.023 -2.503 1.00 0.00 N ATOM 241 CA LYS A 16 -0.803 -4.352 -2.948 1.00 0.00 C ATOM 242 C LYS A 16 -0.074 -3.733 -1.769 1.00 0.00 C ATOM 243 O LYS A 16 1.133 -3.755 -1.743 1.00 0.00 O ATOM 244 CB LYS A 16 -1.048 -3.307 -4.038 1.00 0.00 C ATOM 245 CG LYS A 16 -2.033 -2.212 -3.673 1.00 0.00 C ATOM 246 CD LYS A 16 -2.128 -1.168 -4.773 1.00 0.00 C ATOM 247 CE LYS A 16 -0.879 -0.302 -4.829 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.879 0.609 -6.001 1.00 0.00 N ATOM 0 H LYS A 16 -2.883 -4.546 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.177 -5.121 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.095 -2.845 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.409 -3.815 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.016 -2.648 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.723 -1.736 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.273 -1.662 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.001 -0.538 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.806 0.286 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.003 -0.942 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.009 1.179 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.922 0.049 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.706 1.238 -5.952 1.00 0.00 H new ATOM 262 N ASN A 17 -0.807 -3.201 -0.792 1.00 0.00 N ATOM 263 CA ASN A 17 -0.198 -2.753 0.471 1.00 0.00 C ATOM 264 C ASN A 17 0.591 -3.891 1.092 1.00 0.00 C ATOM 265 O ASN A 17 1.655 -3.680 1.671 1.00 0.00 O ATOM 266 CB ASN A 17 -1.283 -2.304 1.455 1.00 0.00 C ATOM 267 CG ASN A 17 -1.498 -0.807 1.469 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.551 -0.028 1.416 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.754 -0.395 1.535 1.00 0.00 N ATOM 0 H ASN A 17 -1.817 -3.068 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 17 0.465 -1.915 0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.221 -2.796 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.013 -2.634 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.964 0.603 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.512 -1.076 1.578 1.00 0.00 H new ATOM 276 N TYR A 18 0.052 -5.100 0.979 1.00 0.00 N ATOM 277 CA TYR A 18 0.743 -6.289 1.457 1.00 0.00 C ATOM 278 C TYR A 18 2.067 -6.476 0.713 1.00 0.00 C ATOM 279 O TYR A 18 3.130 -6.564 1.327 1.00 0.00 O ATOM 280 CB TYR A 18 -0.152 -7.521 1.277 1.00 0.00 C ATOM 281 CG TYR A 18 0.504 -8.829 1.652 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.020 -9.673 0.676 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.605 -9.223 2.979 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.620 -10.870 1.012 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.204 -10.419 3.324 1.00 0.00 C ATOM 286 CZ TYR A 18 1.708 -11.239 2.336 1.00 0.00 C ATOM 287 OH TYR A 18 2.309 -12.431 2.676 1.00 0.00 O ATOM 0 H TYR A 18 -0.861 -5.281 0.561 1.00 0.00 H new ATOM 0 HA TYR A 18 0.963 -6.165 2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.051 -7.393 1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.471 -7.574 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.950 -9.388 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.209 -8.584 3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.018 -11.513 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.277 -10.710 4.361 1.00 0.00 H new ATOM 0 HH TYR A 18 2.290 -12.541 3.650 1.00 0.00 H new ATOM 297 N HIS A 19 1.994 -6.498 -0.613 1.00 0.00 N ATOM 298 CA HIS A 19 3.168 -6.748 -1.446 1.00 0.00 C ATOM 299 C HIS A 19 4.112 -5.549 -1.465 1.00 0.00 C ATOM 300 O HIS A 19 5.328 -5.708 -1.531 1.00 0.00 O ATOM 301 CB HIS A 19 2.744 -7.103 -2.873 1.00 0.00 C ATOM 302 CG HIS A 19 2.091 -8.444 -2.984 1.00 0.00 C ATOM 303 ND1 HIS A 19 0.765 -8.615 -3.319 1.00 0.00 N ATOM 304 CD2 HIS A 19 2.594 -9.689 -2.808 1.00 0.00 C ATOM 305 CE1 HIS A 19 0.482 -9.903 -3.342 1.00 0.00 C ATOM 306 NE2 HIS A 19 1.573 -10.575 -3.036 1.00 0.00 N ATOM 0 H HIS A 19 1.132 -6.345 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 19 3.705 -7.591 -1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.056 -6.341 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.620 -7.079 -3.521 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.105 -7.863 -3.518 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.610 -9.937 -2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.481 -10.334 -3.573 1.00 0.00 H new ATOM 315 N LEU A 20 3.547 -4.356 -1.406 1.00 0.00 N ATOM 316 CA LEU A 20 4.305 -3.136 -1.399 1.00 0.00 C ATOM 317 C LEU A 20 5.082 -3.008 -0.084 1.00 0.00 C ATOM 318 O LEU A 20 6.197 -2.488 -0.055 1.00 0.00 O ATOM 319 CB LEU A 20 3.340 -1.960 -1.631 1.00 0.00 C ATOM 320 CG LEU A 20 3.975 -0.605 -1.634 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.140 -0.567 -2.592 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.983 0.483 -1.989 1.00 0.00 C ATOM 0 H LEU A 20 2.538 -4.215 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 20 5.044 -3.134 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.834 -2.109 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.573 -1.982 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 20 4.333 -0.416 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.589 0.426 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.884 -1.305 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.791 -0.795 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.485 1.450 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.577 0.295 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.172 0.488 -1.260 1.00 0.00 H new ATOM 334 N GLU A 21 4.501 -3.523 0.996 1.00 0.00 N ATOM 335 CA GLU A 21 5.194 -3.598 2.272 1.00 0.00 C ATOM 336 C GLU A 21 6.289 -4.652 2.194 1.00 0.00 C ATOM 337 O GLU A 21 7.354 -4.488 2.787 1.00 0.00 O ATOM 338 CB GLU A 21 4.212 -3.924 3.405 1.00 0.00 C ATOM 339 CG GLU A 21 4.572 -3.293 4.745 1.00 0.00 C ATOM 340 CD GLU A 21 5.922 -3.735 5.281 1.00 0.00 C ATOM 341 OE1 GLU A 21 6.877 -2.933 5.221 1.00 0.00 O ATOM 342 OE2 GLU A 21 6.024 -4.884 5.753 1.00 0.00 O ATOM 0 H GLU A 21 3.551 -3.894 1.010 1.00 0.00 H new ATOM 0 HA GLU A 21 5.645 -2.629 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.216 -3.590 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.162 -5.006 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.570 -2.208 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.801 -3.543 5.474 1.00 0.00 H new ATOM 349 N ASN A 22 6.021 -5.728 1.461 1.00 0.00 N ATOM 350 CA ASN A 22 7.041 -6.741 1.194 1.00 0.00 C ATOM 351 C ASN A 22 8.238 -6.094 0.516 1.00 0.00 C ATOM 352 O ASN A 22 9.386 -6.375 0.858 1.00 0.00 O ATOM 353 CB ASN A 22 6.494 -7.865 0.300 1.00 0.00 C ATOM 354 CG ASN A 22 5.444 -8.728 0.979 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.514 -9.211 0.331 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.591 -8.951 2.273 1.00 0.00 N ATOM 0 H ASN A 22 5.111 -5.922 1.042 1.00 0.00 H new ATOM 0 HA ASN A 22 7.341 -7.177 2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.064 -7.425 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.321 -8.499 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.922 -9.540 2.768 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.374 -8.534 2.777 1.00 0.00 H new ATOM 363 N GLU A 23 7.954 -5.203 -0.430 1.00 0.00 N ATOM 364 CA GLU A 23 9.006 -4.483 -1.138 1.00 0.00 C ATOM 365 C GLU A 23 9.818 -3.636 -0.163 1.00 0.00 C ATOM 366 O GLU A 23 11.049 -3.674 -0.174 1.00 0.00 O ATOM 367 CB GLU A 23 8.410 -3.592 -2.231 1.00 0.00 C ATOM 368 CG GLU A 23 7.500 -4.330 -3.202 1.00 0.00 C ATOM 369 CD GLU A 23 8.182 -5.501 -3.883 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.758 -5.299 -4.972 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.139 -6.621 -3.328 1.00 0.00 O ATOM 0 H GLU A 23 7.007 -4.963 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 23 9.664 -5.215 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.846 -2.786 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.222 -3.128 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.622 -4.690 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.146 -3.632 -3.961 1.00 0.00 H new ATOM 378 N VAL A 24 9.121 -2.888 0.690 1.00 0.00 N ATOM 379 CA VAL A 24 9.781 -2.052 1.688 1.00 0.00 C ATOM 380 C VAL A 24 10.635 -2.897 2.629 1.00 0.00 C ATOM 381 O VAL A 24 11.797 -2.582 2.872 1.00 0.00 O ATOM 382 CB VAL A 24 8.774 -1.236 2.538 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.498 -0.473 3.635 1.00 0.00 C ATOM 384 CG2 VAL A 24 8.011 -0.264 1.681 1.00 0.00 C ATOM 0 H VAL A 24 8.102 -2.844 0.710 1.00 0.00 H new ATOM 0 HA VAL A 24 10.409 -1.357 1.131 1.00 0.00 H new ATOM 0 HB VAL A 24 8.073 -1.940 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.775 0.094 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.020 -1.176 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.219 0.211 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.311 0.296 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.708 0.426 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.460 -0.809 0.914 1.00 0.00 H new ATOM 394 N ALA A 25 10.051 -3.977 3.137 1.00 0.00 N ATOM 395 CA ALA A 25 10.709 -4.821 4.131 1.00 0.00 C ATOM 396 C ALA A 25 12.034 -5.371 3.612 1.00 0.00 C ATOM 397 O ALA A 25 13.036 -5.381 4.330 1.00 0.00 O ATOM 398 CB ALA A 25 9.789 -5.963 4.546 1.00 0.00 C ATOM 0 H ALA A 25 9.117 -4.291 2.875 1.00 0.00 H new ATOM 0 HA ALA A 25 10.925 -4.202 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.292 -6.584 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.874 -5.555 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.543 -6.567 3.673 1.00 0.00 H new ATOM 404 N ARG A 26 12.035 -5.817 2.365 1.00 0.00 N ATOM 405 CA ARG A 26 13.235 -6.373 1.755 1.00 0.00 C ATOM 406 C ARG A 26 14.294 -5.292 1.576 1.00 0.00 C ATOM 407 O ARG A 26 15.461 -5.491 1.912 1.00 0.00 O ATOM 408 CB ARG A 26 12.888 -7.022 0.414 1.00 0.00 C ATOM 409 CG ARG A 26 11.896 -8.164 0.549 1.00 0.00 C ATOM 410 CD ARG A 26 11.438 -8.682 -0.801 1.00 0.00 C ATOM 411 NE ARG A 26 10.394 -9.697 -0.660 1.00 0.00 N ATOM 412 CZ ARG A 26 9.806 -10.316 -1.679 1.00 0.00 C ATOM 413 NH1 ARG A 26 10.154 -10.028 -2.926 1.00 0.00 N ATOM 414 NH2 ARG A 26 8.868 -11.225 -1.448 1.00 0.00 N ATOM 0 H ARG A 26 11.218 -5.805 1.755 1.00 0.00 H new ATOM 0 HA ARG A 26 13.643 -7.138 2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.475 -6.266 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.801 -7.394 -0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.354 -8.977 1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.031 -7.827 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.063 -7.853 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.288 -9.105 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 26 10.097 -9.947 0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.875 -9.329 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.701 -10.505 -3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.599 -11.448 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.416 -11.701 -2.229 1.00 0.00 H new ATOM 428 N LEU A 27 13.873 -4.138 1.079 1.00 0.00 N ATOM 429 CA LEU A 27 14.773 -3.004 0.902 1.00 0.00 C ATOM 430 C LEU A 27 15.330 -2.538 2.246 1.00 0.00 C ATOM 431 O LEU A 27 16.504 -2.181 2.352 1.00 0.00 O ATOM 432 CB LEU A 27 14.041 -1.849 0.220 1.00 0.00 C ATOM 433 CG LEU A 27 14.086 -1.816 -1.314 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.846 -3.188 -1.918 1.00 0.00 C ATOM 435 CD2 LEU A 27 13.054 -0.836 -1.840 1.00 0.00 C ATOM 0 H LEU A 27 12.911 -3.961 0.790 1.00 0.00 H new ATOM 0 HA LEU A 27 15.603 -3.325 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.996 -1.878 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.458 -0.914 0.593 1.00 0.00 H new ATOM 0 HG LEU A 27 15.085 -1.494 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.886 -3.119 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.614 -3.878 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.865 -3.553 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.092 -0.818 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.060 -1.145 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.268 0.160 -1.453 1.00 0.00 H new ATOM 447 N LYS A 28 14.479 -2.555 3.269 1.00 0.00 N ATOM 448 CA LYS A 28 14.876 -2.163 4.620 1.00 0.00 C ATOM 449 C LYS A 28 15.993 -3.055 5.152 1.00 0.00 C ATOM 450 O LYS A 28 16.781 -2.638 5.995 1.00 0.00 O ATOM 451 CB LYS A 28 13.683 -2.227 5.579 1.00 0.00 C ATOM 452 CG LYS A 28 12.790 -0.997 5.544 1.00 0.00 C ATOM 453 CD LYS A 28 13.534 0.239 6.028 1.00 0.00 C ATOM 454 CE LYS A 28 12.647 1.472 6.018 1.00 0.00 C ATOM 455 NZ LYS A 28 13.372 2.672 6.513 1.00 0.00 N ATOM 0 H LYS A 28 13.503 -2.838 3.187 1.00 0.00 H new ATOM 0 HA LYS A 28 15.240 -1.137 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.083 -3.105 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.054 -2.364 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.432 -0.834 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.912 -1.164 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.906 0.067 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.403 0.412 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.289 1.655 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.769 1.294 6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.736 3.495 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.692 2.506 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.195 2.856 5.905 1.00 0.00 H new ATOM 469 N LYS A 29 16.053 -4.287 4.664 1.00 0.00 N ATOM 470 CA LYS A 29 17.082 -5.226 5.086 1.00 0.00 C ATOM 471 C LYS A 29 18.427 -4.848 4.469 1.00 0.00 C ATOM 472 O LYS A 29 19.476 -4.961 5.109 1.00 0.00 O ATOM 473 CB LYS A 29 16.691 -6.652 4.680 1.00 0.00 C ATOM 474 CG LYS A 29 17.617 -7.732 5.226 1.00 0.00 C ATOM 475 CD LYS A 29 17.537 -7.839 6.743 1.00 0.00 C ATOM 476 CE LYS A 29 16.163 -8.301 7.212 1.00 0.00 C ATOM 477 NZ LYS A 29 15.833 -9.662 6.712 1.00 0.00 N ATOM 0 H LYS A 29 15.400 -4.659 3.975 1.00 0.00 H new ATOM 0 HA LYS A 29 17.174 -5.184 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.676 -6.851 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.677 -6.717 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.356 -8.692 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.643 -7.512 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.295 -8.538 7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.765 -6.870 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.132 -8.297 8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.406 -7.595 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.994 -10.021 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.638 -9.619 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.637 -10.299 6.884 1.00 0.00 H new ATOM 491 N LEU A 30 18.381 -4.379 3.229 1.00 0.00 N ATOM 492 CA LEU A 30 19.584 -4.015 2.487 1.00 0.00 C ATOM 493 C LEU A 30 20.101 -2.647 2.914 1.00 0.00 C ATOM 494 O LEU A 30 21.304 -2.455 3.079 1.00 0.00 O ATOM 495 CB LEU A 30 19.320 -4.034 0.978 1.00 0.00 C ATOM 496 CG LEU A 30 19.378 -5.415 0.313 1.00 0.00 C ATOM 497 CD1 LEU A 30 18.245 -6.309 0.789 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.344 -5.277 -1.200 1.00 0.00 C ATOM 0 H LEU A 30 17.514 -4.240 2.710 1.00 0.00 H new ATOM 0 HA LEU A 30 20.350 -4.756 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.336 -3.603 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 30 20.048 -3.385 0.492 1.00 0.00 H new ATOM 0 HG LEU A 30 20.318 -5.885 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.316 -7.279 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.316 -6.442 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.289 -5.847 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.386 -6.266 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.422 -4.778 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.199 -4.688 -1.531 1.00 0.00 H new ATOM 510 N VAL A 31 19.189 -1.700 3.096 1.00 0.00 N ATOM 511 CA VAL A 31 19.557 -0.380 3.602 1.00 0.00 C ATOM 512 C VAL A 31 19.884 -0.484 5.088 1.00 0.00 C ATOM 513 O VAL A 31 20.639 0.318 5.646 1.00 0.00 O ATOM 514 CB VAL A 31 18.418 0.646 3.393 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.822 2.024 3.890 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.015 0.710 1.930 1.00 0.00 C ATOM 0 H VAL A 31 18.195 -1.818 2.903 1.00 0.00 H new ATOM 0 HA VAL A 31 20.428 -0.032 3.047 1.00 0.00 H new ATOM 0 HB VAL A 31 17.560 0.313 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.002 2.724 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.053 1.974 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.701 2.365 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.213 1.437 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.873 1.010 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.669 -0.271 1.605 1.00 0.00 H new ATOM 526 N GLY A 32 19.306 -1.498 5.712 1.00 0.00 N ATOM 527 CA GLY A 32 19.514 -1.745 7.119 1.00 0.00 C ATOM 528 C GLY A 32 20.920 -2.213 7.433 1.00 0.00 C ATOM 529 O GLY A 32 21.604 -1.622 8.268 1.00 0.00 O ATOM 0 H GLY A 32 18.684 -2.166 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.307 -0.832 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.802 -2.496 7.460 1.00 0.00 H new ATOM 533 N GLU A 33 21.350 -3.280 6.773 1.00 0.00 N ATOM 534 CA GLU A 33 22.670 -3.843 7.016 1.00 0.00 C ATOM 535 C GLU A 33 23.631 -3.464 5.897 1.00 0.00 C ATOM 536 O GLU A 33 23.719 -4.214 4.902 1.00 0.00 O ATOM 537 CB GLU A 33 22.600 -5.369 7.156 1.00 0.00 C ATOM 538 CG GLU A 33 22.132 -5.851 8.525 1.00 0.00 C ATOM 539 CD GLU A 33 20.733 -5.386 8.878 1.00 0.00 C ATOM 540 OE1 GLU A 33 20.603 -4.478 9.723 1.00 0.00 O ATOM 541 OE2 GLU A 33 19.769 -5.930 8.302 1.00 0.00 O ATOM 542 OXT GLU A 33 24.302 -2.420 6.024 1.00 0.00 O ATOM 0 H GLU A 33 20.804 -3.772 6.066 1.00 0.00 H new ATOM 0 HA GLU A 33 23.042 -3.428 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 33 21.926 -5.762 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 33 23.586 -5.787 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 33 22.162 -6.940 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 33 22.828 -5.496 9.285 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.714 6.823 1.374 1.00 0.00 N ATOM 551 CA GLY B 1 -23.789 6.863 2.532 1.00 0.00 C ATOM 552 C GLY B 1 -22.733 5.777 2.469 1.00 0.00 C ATOM 553 O GLY B 1 -21.555 6.036 2.722 1.00 0.00 O ATOM 0 H1 GLY B 1 -25.374 7.625 1.429 1.00 0.00 H new ATOM 0 H2 GLY B 1 -24.168 6.884 0.491 1.00 0.00 H new ATOM 0 H3 GLY B 1 -25.250 5.932 1.389 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -23.302 7.837 2.570 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.361 6.756 3.454 1.00 0.00 H new ATOM 559 N SER B 2 -23.154 4.565 2.115 1.00 0.00 N ATOM 560 CA SER B 2 -22.262 3.412 2.055 1.00 0.00 C ATOM 561 C SER B 2 -21.068 3.670 1.141 1.00 0.00 C ATOM 562 O SER B 2 -19.937 3.323 1.479 1.00 0.00 O ATOM 563 CB SER B 2 -23.042 2.184 1.578 1.00 0.00 C ATOM 564 OG SER B 2 -23.874 2.510 0.474 1.00 0.00 O ATOM 0 H SER B 2 -24.120 4.356 1.863 1.00 0.00 H new ATOM 0 HA SER B 2 -21.872 3.231 3.057 1.00 0.00 H new ATOM 0 HB2 SER B 2 -22.347 1.394 1.294 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.650 1.795 2.394 1.00 0.00 H new ATOM 0 HG SER B 2 -24.362 1.711 0.185 1.00 0.00 H new ATOM 570 N MET B 3 -21.319 4.304 0.000 1.00 0.00 N ATOM 571 CA MET B 3 -20.266 4.581 -0.970 1.00 0.00 C ATOM 572 C MET B 3 -19.134 5.385 -0.347 1.00 0.00 C ATOM 573 O MET B 3 -17.974 5.017 -0.469 1.00 0.00 O ATOM 574 CB MET B 3 -20.827 5.322 -2.186 1.00 0.00 C ATOM 575 CG MET B 3 -21.599 4.428 -3.141 1.00 0.00 C ATOM 576 SD MET B 3 -20.549 3.178 -3.908 1.00 0.00 S ATOM 577 CE MET B 3 -21.754 2.286 -4.889 1.00 0.00 C ATOM 0 H MET B 3 -22.243 4.636 -0.276 1.00 0.00 H new ATOM 0 HA MET B 3 -19.864 3.622 -1.297 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.481 6.123 -1.842 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.005 5.792 -2.726 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.409 3.937 -2.601 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.058 5.040 -3.917 1.00 0.00 H new ATOM 0 HE1 MET B 3 -21.259 1.477 -5.426 1.00 0.00 H new ATOM 0 HE2 MET B 3 -22.521 1.871 -4.235 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.217 2.966 -5.604 1.00 0.00 H new ATOM 587 N LYS B 4 -19.476 6.458 0.351 1.00 0.00 N ATOM 588 CA LYS B 4 -18.471 7.350 0.924 1.00 0.00 C ATOM 589 C LYS B 4 -17.780 6.739 2.136 1.00 0.00 C ATOM 590 O LYS B 4 -16.742 7.218 2.567 1.00 0.00 O ATOM 591 CB LYS B 4 -19.102 8.683 1.317 1.00 0.00 C ATOM 592 CG LYS B 4 -19.458 9.565 0.132 1.00 0.00 C ATOM 593 CD LYS B 4 -18.221 10.030 -0.624 1.00 0.00 C ATOM 594 CE LYS B 4 -17.299 10.867 0.253 1.00 0.00 C ATOM 595 NZ LYS B 4 -17.989 12.062 0.807 1.00 0.00 N ATOM 0 H LYS B 4 -20.440 6.734 0.536 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.717 7.511 0.154 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.004 8.490 1.899 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.413 9.223 1.966 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.112 9.016 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.017 10.433 0.481 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -17.677 9.163 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -18.525 10.614 -1.492 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -16.923 10.254 1.072 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -16.435 11.185 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -17.287 12.706 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -18.499 12.553 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -18.664 11.764 1.540 1.00 0.00 H new ATOM 609 N GLN B 5 -18.341 5.672 2.667 1.00 0.00 N ATOM 610 CA GLN B 5 -17.794 5.035 3.852 1.00 0.00 C ATOM 611 C GLN B 5 -16.905 3.881 3.439 1.00 0.00 C ATOM 612 O GLN B 5 -15.810 3.698 3.966 1.00 0.00 O ATOM 613 CB GLN B 5 -18.914 4.540 4.768 1.00 0.00 C ATOM 614 CG GLN B 5 -19.747 5.661 5.370 1.00 0.00 C ATOM 615 CD GLN B 5 -20.879 5.152 6.241 1.00 0.00 C ATOM 616 OE1 GLN B 5 -21.926 5.790 6.354 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.680 4.003 6.867 1.00 0.00 N ATOM 0 H GLN B 5 -19.179 5.224 2.296 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.204 5.766 4.405 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.568 3.876 4.203 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.479 3.949 5.574 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.101 6.308 5.964 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.159 6.272 4.567 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -19.799 3.503 6.748 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -21.408 3.617 7.468 1.00 0.00 H new ATOM 626 N LEU B 6 -17.386 3.114 2.475 1.00 0.00 N ATOM 627 CA LEU B 6 -16.618 2.024 1.911 1.00 0.00 C ATOM 628 C LEU B 6 -15.456 2.579 1.104 1.00 0.00 C ATOM 629 O LEU B 6 -14.325 2.121 1.238 1.00 0.00 O ATOM 630 CB LEU B 6 -17.500 1.136 1.024 1.00 0.00 C ATOM 631 CG LEU B 6 -18.292 0.015 1.725 1.00 0.00 C ATOM 632 CD1 LEU B 6 -17.362 -1.076 2.238 1.00 0.00 C ATOM 633 CD2 LEU B 6 -19.137 0.564 2.866 1.00 0.00 C ATOM 0 H LEU B 6 -18.313 3.230 2.066 1.00 0.00 H new ATOM 0 HA LEU B 6 -16.232 1.413 2.727 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.210 1.777 0.502 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.866 0.679 0.265 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.961 -0.421 0.983 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.948 -1.853 2.728 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.813 -1.509 1.402 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.658 -0.648 2.952 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.683 -0.252 3.340 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.489 1.042 3.601 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.844 1.296 2.476 1.00 0.00 H new ATOM 645 N GLU B 7 -15.734 3.588 0.281 1.00 0.00 N ATOM 646 CA GLU B 7 -14.689 4.231 -0.505 1.00 0.00 C ATOM 647 C GLU B 7 -13.697 4.955 0.406 1.00 0.00 C ATOM 648 O GLU B 7 -12.516 5.068 0.071 1.00 0.00 O ATOM 649 CB GLU B 7 -15.289 5.198 -1.529 1.00 0.00 C ATOM 650 CG GLU B 7 -14.275 5.752 -2.517 1.00 0.00 C ATOM 651 CD GLU B 7 -14.914 6.626 -3.576 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.308 7.765 -3.248 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.021 6.174 -4.735 1.00 0.00 O ATOM 0 H GLU B 7 -16.668 3.974 0.143 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.151 3.455 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.077 4.685 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.758 6.028 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.525 6.330 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.753 4.925 -2.999 1.00 0.00 H new ATOM 660 N ASP B 8 -14.163 5.440 1.564 1.00 0.00 N ATOM 661 CA ASP B 8 -13.244 6.019 2.547 1.00 0.00 C ATOM 662 C ASP B 8 -12.250 4.976 3.043 1.00 0.00 C ATOM 663 O ASP B 8 -11.122 5.307 3.402 1.00 0.00 O ATOM 664 CB ASP B 8 -13.989 6.633 3.733 1.00 0.00 C ATOM 665 CG ASP B 8 -14.037 8.149 3.659 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.555 8.801 4.607 1.00 0.00 O ATOM 667 OD2 ASP B 8 -14.536 8.684 2.648 1.00 0.00 O ATOM 0 H ASP B 8 -15.146 5.443 1.837 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.700 6.817 2.041 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -15.005 6.240 3.764 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.502 6.332 4.661 1.00 0.00 H new ATOM 672 N LYS B 9 -12.669 3.718 3.053 1.00 0.00 N ATOM 673 CA LYS B 9 -11.789 2.624 3.441 1.00 0.00 C ATOM 674 C LYS B 9 -10.796 2.330 2.323 1.00 0.00 C ATOM 675 O LYS B 9 -9.607 2.119 2.575 1.00 0.00 O ATOM 676 CB LYS B 9 -12.602 1.365 3.748 1.00 0.00 C ATOM 677 CG LYS B 9 -13.691 1.583 4.780 1.00 0.00 C ATOM 678 CD LYS B 9 -14.521 0.329 4.985 1.00 0.00 C ATOM 679 CE LYS B 9 -15.696 0.587 5.912 1.00 0.00 C ATOM 680 NZ LYS B 9 -15.255 1.074 7.245 1.00 0.00 N ATOM 0 H LYS B 9 -13.613 3.430 2.797 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.246 2.921 4.338 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.055 1.001 2.826 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.928 0.585 4.102 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -13.242 1.882 5.727 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.338 2.401 4.461 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.887 -0.028 4.022 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.894 -0.460 5.401 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -16.361 1.322 5.459 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -16.271 -0.331 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -16.067 1.093 7.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -14.524 0.438 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -14.864 2.033 7.152 1.00 0.00 H new ATOM 694 N VAL B 10 -11.297 2.326 1.091 1.00 0.00 N ATOM 695 CA VAL B 10 -10.469 2.051 -0.079 1.00 0.00 C ATOM 696 C VAL B 10 -9.349 3.082 -0.193 1.00 0.00 C ATOM 697 O VAL B 10 -8.166 2.737 -0.199 1.00 0.00 O ATOM 698 CB VAL B 10 -11.291 2.082 -1.390 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.489 1.491 -2.535 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.613 1.353 -1.247 1.00 0.00 C ATOM 0 H VAL B 10 -12.277 2.511 0.877 1.00 0.00 H new ATOM 0 HA VAL B 10 -10.056 1.051 0.057 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.511 3.127 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.083 1.521 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.576 2.069 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.232 0.457 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.158 1.399 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.428 0.311 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.205 1.824 -0.462 1.00 0.00 H new ATOM 710 N GLU B 11 -9.732 4.353 -0.246 1.00 0.00 N ATOM 711 CA GLU B 11 -8.775 5.437 -0.439 1.00 0.00 C ATOM 712 C GLU B 11 -7.870 5.601 0.787 1.00 0.00 C ATOM 713 O GLU B 11 -6.793 6.188 0.700 1.00 0.00 O ATOM 714 CB GLU B 11 -9.517 6.745 -0.741 1.00 0.00 C ATOM 715 CG GLU B 11 -8.599 7.902 -1.101 1.00 0.00 C ATOM 716 CD GLU B 11 -9.356 9.172 -1.438 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.604 9.413 -2.637 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.700 9.921 -0.502 1.00 0.00 O ATOM 0 H GLU B 11 -10.701 4.659 -0.158 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.140 5.187 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.212 6.576 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.113 7.023 0.128 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -7.925 8.097 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -7.980 7.617 -1.952 1.00 0.00 H new ATOM 725 N GLU B 12 -8.298 5.067 1.925 1.00 0.00 N ATOM 726 CA GLU B 12 -7.469 5.073 3.122 1.00 0.00 C ATOM 727 C GLU B 12 -6.264 4.172 2.898 1.00 0.00 C ATOM 728 O GLU B 12 -5.124 4.547 3.178 1.00 0.00 O ATOM 729 CB GLU B 12 -8.262 4.600 4.342 1.00 0.00 C ATOM 730 CG GLU B 12 -7.465 4.627 5.635 1.00 0.00 C ATOM 731 CD GLU B 12 -8.259 4.123 6.823 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.873 4.956 7.520 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.265 2.898 7.055 1.00 0.00 O ATOM 0 H GLU B 12 -9.210 4.626 2.043 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.136 6.093 3.316 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.145 5.229 4.456 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.615 3.584 4.164 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.569 4.018 5.517 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.133 5.647 5.831 1.00 0.00 H new ATOM 740 N LEU B 13 -6.524 2.988 2.362 1.00 0.00 N ATOM 741 CA LEU B 13 -5.457 2.067 2.012 1.00 0.00 C ATOM 742 C LEU B 13 -4.678 2.599 0.817 1.00 0.00 C ATOM 743 O LEU B 13 -3.504 2.288 0.640 1.00 0.00 O ATOM 744 CB LEU B 13 -6.017 0.678 1.714 1.00 0.00 C ATOM 745 CG LEU B 13 -6.682 -0.017 2.905 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.165 -1.397 2.507 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.721 -0.113 4.080 1.00 0.00 C ATOM 0 H LEU B 13 -7.463 2.645 2.161 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.779 1.982 2.861 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.745 0.761 0.907 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.207 0.046 1.349 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.540 0.580 3.213 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.636 -1.879 3.364 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.889 -1.309 1.697 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.318 -1.997 2.173 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.215 -0.610 4.915 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.842 -0.686 3.785 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.416 0.889 4.383 1.00 0.00 H new ATOM 759 N LEU B 14 -5.347 3.409 0.007 1.00 0.00 N ATOM 760 CA LEU B 14 -4.715 4.085 -1.117 1.00 0.00 C ATOM 761 C LEU B 14 -3.705 5.110 -0.609 1.00 0.00 C ATOM 762 O LEU B 14 -2.660 5.334 -1.220 1.00 0.00 O ATOM 763 CB LEU B 14 -5.776 4.796 -1.956 1.00 0.00 C ATOM 764 CG LEU B 14 -5.328 5.245 -3.348 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.103 4.044 -4.250 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.353 6.187 -3.962 1.00 0.00 C ATOM 0 H LEU B 14 -6.341 3.615 0.111 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.201 3.344 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.632 4.130 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.122 5.671 -1.406 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.384 5.781 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.785 4.384 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.332 3.405 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.031 3.480 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.017 6.495 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.312 5.676 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.466 7.066 -3.327 1.00 0.00 H new ATOM 778 N SER B 15 -4.035 5.713 0.524 1.00 0.00 N ATOM 779 CA SER B 15 -3.223 6.755 1.123 1.00 0.00 C ATOM 780 C SER B 15 -1.955 6.161 1.718 1.00 0.00 C ATOM 781 O SER B 15 -0.869 6.734 1.591 1.00 0.00 O ATOM 782 CB SER B 15 -4.029 7.492 2.199 1.00 0.00 C ATOM 783 OG SER B 15 -3.309 8.593 2.730 1.00 0.00 O ATOM 0 H SER B 15 -4.878 5.490 1.054 1.00 0.00 H new ATOM 0 HA SER B 15 -2.937 7.469 0.350 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.969 7.843 1.773 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.281 6.800 3.003 1.00 0.00 H new ATOM 0 HG SER B 15 -3.852 9.041 3.412 1.00 0.00 H new ATOM 789 N LYS B 16 -2.077 5.013 2.373 1.00 0.00 N ATOM 790 CA LYS B 16 -0.892 4.339 2.871 1.00 0.00 C ATOM 791 C LYS B 16 -0.120 3.705 1.727 1.00 0.00 C ATOM 792 O LYS B 16 1.085 3.718 1.751 1.00 0.00 O ATOM 793 CB LYS B 16 -1.187 3.307 3.960 1.00 0.00 C ATOM 794 CG LYS B 16 -2.163 2.213 3.565 1.00 0.00 C ATOM 795 CD LYS B 16 -2.308 1.177 4.669 1.00 0.00 C ATOM 796 CE LYS B 16 -1.067 0.305 4.781 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.119 -0.586 5.966 1.00 0.00 N ATOM 0 H LYS B 16 -2.961 4.542 2.567 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.279 5.108 3.341 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.248 2.843 4.262 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.582 3.826 4.833 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -3.136 2.653 3.346 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.819 1.728 2.651 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.488 1.679 5.619 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.177 0.551 4.470 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.965 -0.298 3.879 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.183 0.939 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.255 -1.163 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.191 -0.011 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -1.948 -1.210 5.895 1.00 0.00 H new ATOM 811 N ASN B 17 -0.815 3.173 0.724 1.00 0.00 N ATOM 812 CA ASN B 17 -0.160 2.710 -0.511 1.00 0.00 C ATOM 813 C ASN B 17 0.662 3.838 -1.109 1.00 0.00 C ATOM 814 O ASN B 17 1.751 3.617 -1.635 1.00 0.00 O ATOM 815 CB ASN B 17 -1.207 2.260 -1.534 1.00 0.00 C ATOM 816 CG ASN B 17 -1.430 0.764 -1.544 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.491 -0.020 -1.445 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.684 0.360 -1.656 1.00 0.00 N ATOM 0 H ASN B 17 -1.827 3.049 0.736 1.00 0.00 H new ATOM 0 HA ASN B 17 0.487 1.868 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.152 2.760 -1.320 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.895 2.580 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.900 -0.637 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.435 1.045 -1.736 1.00 0.00 H new ATOM 825 N TYR B 18 0.127 5.051 -1.026 1.00 0.00 N ATOM 826 CA TYR B 18 0.843 6.233 -1.486 1.00 0.00 C ATOM 827 C TYR B 18 2.138 6.420 -0.694 1.00 0.00 C ATOM 828 O TYR B 18 3.224 6.512 -1.270 1.00 0.00 O ATOM 829 CB TYR B 18 -0.051 7.471 -1.351 1.00 0.00 C ATOM 830 CG TYR B 18 0.630 8.772 -1.709 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.111 9.620 -0.720 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.787 9.155 -3.035 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.731 10.811 -1.040 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.407 10.345 -3.364 1.00 0.00 C ATOM 835 CZ TYR B 18 1.877 11.170 -2.362 1.00 0.00 C ATOM 836 OH TYR B 18 2.493 12.359 -2.686 1.00 0.00 O ATOM 0 H TYR B 18 -0.800 5.241 -0.644 1.00 0.00 H new ATOM 0 HA TYR B 18 1.103 6.098 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.925 7.345 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.412 7.534 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.998 9.343 0.318 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.419 8.512 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.100 11.458 -0.258 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.523 10.628 -4.400 1.00 0.00 H new ATOM 0 HH TYR B 18 2.516 12.461 -3.660 1.00 0.00 H new ATOM 846 N HIS B 19 2.013 6.445 0.628 1.00 0.00 N ATOM 847 CA HIS B 19 3.154 6.699 1.506 1.00 0.00 C ATOM 848 C HIS B 19 4.090 5.495 1.574 1.00 0.00 C ATOM 849 O HIS B 19 5.302 5.648 1.682 1.00 0.00 O ATOM 850 CB HIS B 19 2.675 7.066 2.911 1.00 0.00 C ATOM 851 CG HIS B 19 2.026 8.413 2.991 1.00 0.00 C ATOM 852 ND1 HIS B 19 0.688 8.594 3.274 1.00 0.00 N ATOM 853 CD2 HIS B 19 2.543 9.653 2.826 1.00 0.00 C ATOM 854 CE1 HIS B 19 0.413 9.885 3.280 1.00 0.00 C ATOM 855 NE2 HIS B 19 1.519 10.547 3.012 1.00 0.00 N ATOM 0 H HIS B 19 1.132 6.292 1.118 1.00 0.00 H new ATOM 0 HA HIS B 19 3.711 7.536 1.086 1.00 0.00 H new ATOM 0 HB2 HIS B 19 1.968 6.310 3.253 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.524 7.040 3.594 1.00 0.00 H new ATOM 0 HD1 HIS B 19 0.016 7.847 3.451 1.00 0.00 H new ATOM 0 HD2 HIS B 19 3.569 9.894 2.592 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.555 10.324 3.472 1.00 0.00 H new ATOM 864 N LEU B 20 3.519 4.305 1.506 1.00 0.00 N ATOM 865 CA LEU B 20 4.269 3.080 1.541 1.00 0.00 C ATOM 866 C LEU B 20 5.097 2.936 0.258 1.00 0.00 C ATOM 867 O LEU B 20 6.210 2.409 0.278 1.00 0.00 O ATOM 868 CB LEU B 20 3.286 1.912 1.747 1.00 0.00 C ATOM 869 CG LEU B 20 3.911 0.551 1.781 1.00 0.00 C ATOM 870 CD1 LEU B 20 5.035 0.506 2.785 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.898 -0.527 2.103 1.00 0.00 C ATOM 0 H LEU B 20 2.511 4.170 1.424 1.00 0.00 H new ATOM 0 HA LEU B 20 4.976 3.079 2.370 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.749 2.071 2.682 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.547 1.935 0.946 1.00 0.00 H new ATOM 0 HG LEU B 20 4.308 0.357 0.785 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.475 -0.491 2.794 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.796 1.236 2.512 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.647 0.740 3.776 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.393 -1.498 2.118 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.455 -0.330 3.079 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.116 -0.530 1.344 1.00 0.00 H new ATOM 883 N GLU B 21 4.564 3.444 -0.851 1.00 0.00 N ATOM 884 CA GLU B 21 5.308 3.505 -2.101 1.00 0.00 C ATOM 885 C GLU B 21 6.403 4.558 -1.989 1.00 0.00 C ATOM 886 O GLU B 21 7.488 4.391 -2.545 1.00 0.00 O ATOM 887 CB GLU B 21 4.372 3.824 -3.272 1.00 0.00 C ATOM 888 CG GLU B 21 4.781 3.184 -4.596 1.00 0.00 C ATOM 889 CD GLU B 21 6.153 3.618 -5.082 1.00 0.00 C ATOM 890 OE1 GLU B 21 7.102 2.813 -4.971 1.00 0.00 O ATOM 891 OE2 GLU B 21 6.277 4.762 -5.566 1.00 0.00 O ATOM 0 H GLU B 21 3.617 3.819 -0.906 1.00 0.00 H new ATOM 0 HA GLU B 21 5.764 2.534 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.365 3.493 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.328 4.905 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.770 2.100 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.040 3.434 -5.355 1.00 0.00 H new ATOM 898 N ASN B 22 6.113 5.637 -1.269 1.00 0.00 N ATOM 899 CA ASN B 22 7.126 6.648 -0.971 1.00 0.00 C ATOM 900 C ASN B 22 8.291 5.997 -0.244 1.00 0.00 C ATOM 901 O ASN B 22 9.453 6.264 -0.546 1.00 0.00 O ATOM 902 CB ASN B 22 6.555 7.782 -0.106 1.00 0.00 C ATOM 903 CG ASN B 22 5.537 8.646 -0.830 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.583 9.136 -0.223 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.741 8.865 -2.118 1.00 0.00 N ATOM 0 H ASN B 22 5.190 5.835 -0.882 1.00 0.00 H new ATOM 0 HA ASN B 22 7.462 7.078 -1.915 1.00 0.00 H new ATOM 0 HB2 ASN B 22 6.089 7.352 0.781 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.375 8.413 0.239 1.00 0.00 H new ATOM 0 HD21 ASN B 22 5.097 9.457 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN B 22 6.542 8.442 -2.587 1.00 0.00 H new ATOM 912 N GLU B 23 7.966 5.115 0.699 1.00 0.00 N ATOM 913 CA GLU B 23 8.984 4.394 1.453 1.00 0.00 C ATOM 914 C GLU B 23 9.831 3.537 0.518 1.00 0.00 C ATOM 915 O GLU B 23 11.060 3.569 0.578 1.00 0.00 O ATOM 916 CB GLU B 23 8.340 3.516 2.529 1.00 0.00 C ATOM 917 CG GLU B 23 7.393 4.268 3.452 1.00 0.00 C ATOM 918 CD GLU B 23 8.050 5.445 4.147 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.576 5.255 5.261 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.031 6.556 3.579 1.00 0.00 O ATOM 0 H GLU B 23 7.007 4.884 0.957 1.00 0.00 H new ATOM 0 HA GLU B 23 9.628 5.126 1.941 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.793 2.707 2.045 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.126 3.056 3.128 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.540 4.624 2.875 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.005 3.580 4.203 1.00 0.00 H new ATOM 927 N VAL B 24 9.163 2.786 -0.357 1.00 0.00 N ATOM 928 CA VAL B 24 9.857 1.939 -1.320 1.00 0.00 C ATOM 929 C VAL B 24 10.754 2.772 -2.232 1.00 0.00 C ATOM 930 O VAL B 24 11.923 2.448 -2.430 1.00 0.00 O ATOM 931 CB VAL B 24 8.880 1.123 -2.204 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.640 0.345 -3.265 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.077 0.163 -1.369 1.00 0.00 C ATOM 0 H VAL B 24 8.145 2.748 -0.417 1.00 0.00 H new ATOM 0 HA VAL B 24 10.457 1.244 -0.733 1.00 0.00 H new ATOM 0 HB VAL B 24 8.204 1.829 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.936 -0.221 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.193 1.039 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.337 -0.341 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.399 -0.398 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.750 -0.528 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.500 0.718 -0.630 1.00 0.00 H new ATOM 943 N ALA B 25 10.198 3.852 -2.772 1.00 0.00 N ATOM 944 CA ALA B 25 10.901 4.684 -3.745 1.00 0.00 C ATOM 945 C ALA B 25 12.206 5.232 -3.178 1.00 0.00 C ATOM 946 O ALA B 25 13.236 5.236 -3.855 1.00 0.00 O ATOM 947 CB ALA B 25 10.004 5.827 -4.206 1.00 0.00 C ATOM 0 H ALA B 25 9.256 4.174 -2.551 1.00 0.00 H new ATOM 0 HA ALA B 25 11.150 4.056 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.539 6.440 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.105 5.420 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.725 6.439 -3.348 1.00 0.00 H new ATOM 953 N ARG B 26 12.161 5.683 -1.933 1.00 0.00 N ATOM 954 CA ARG B 26 13.338 6.237 -1.277 1.00 0.00 C ATOM 955 C ARG B 26 14.383 5.152 -1.046 1.00 0.00 C ATOM 956 O ARG B 26 15.568 5.347 -1.324 1.00 0.00 O ATOM 957 CB ARG B 26 12.941 6.897 0.043 1.00 0.00 C ATOM 958 CG ARG B 26 11.964 8.044 -0.142 1.00 0.00 C ATOM 959 CD ARG B 26 11.453 8.576 1.184 1.00 0.00 C ATOM 960 NE ARG B 26 10.425 9.593 0.991 1.00 0.00 N ATOM 961 CZ ARG B 26 9.805 10.227 1.982 1.00 0.00 C ATOM 962 NH1 ARG B 26 10.102 9.946 3.245 1.00 0.00 N ATOM 963 NH2 ARG B 26 8.879 11.137 1.706 1.00 0.00 N ATOM 0 H ARG B 26 11.321 5.676 -1.355 1.00 0.00 H new ATOM 0 HA ARG B 26 13.777 6.995 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.495 6.149 0.698 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.837 7.266 0.543 1.00 0.00 H new ATOM 0 HG2 ARG B 26 12.451 8.849 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.122 7.708 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG B 26 11.048 7.755 1.775 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.282 8.998 1.752 1.00 0.00 H new ATOM 0 HE ARG B 26 10.165 9.833 0.034 1.00 0.00 H new ATOM 0 HH11 ARG B 26 10.808 9.242 3.458 1.00 0.00 H new ATOM 0 HH12 ARG B 26 9.624 10.435 4.002 1.00 0.00 H new ATOM 0 HH21 ARG B 26 8.645 11.348 0.736 1.00 0.00 H new ATOM 0 HH22 ARG B 26 8.402 11.625 2.464 1.00 0.00 H new ATOM 977 N LEU B 27 13.933 4.003 -0.563 1.00 0.00 N ATOM 978 CA LEU B 27 14.817 2.863 -0.338 1.00 0.00 C ATOM 979 C LEU B 27 15.424 2.383 -1.654 1.00 0.00 C ATOM 980 O LEU B 27 16.600 2.019 -1.711 1.00 0.00 O ATOM 981 CB LEU B 27 14.049 1.720 0.324 1.00 0.00 C ATOM 982 CG LEU B 27 14.036 1.697 1.859 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.784 3.075 2.444 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.976 0.729 2.350 1.00 0.00 C ATOM 0 H LEU B 27 12.958 3.833 -0.318 1.00 0.00 H new ATOM 0 HA LEU B 27 15.623 3.182 0.323 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.017 1.757 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.471 0.778 -0.027 1.00 0.00 H new ATOM 0 HG LEU B 27 15.020 1.370 2.193 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.783 3.014 3.532 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.570 3.757 2.120 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.818 3.445 2.100 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.971 0.717 3.440 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.998 1.045 1.986 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.196 -0.271 1.977 1.00 0.00 H new ATOM 996 N LYS B 28 14.616 2.397 -2.711 1.00 0.00 N ATOM 997 CA LYS B 28 15.065 1.994 -4.041 1.00 0.00 C ATOM 998 C LYS B 28 16.208 2.874 -4.535 1.00 0.00 C ATOM 999 O LYS B 28 17.026 2.439 -5.340 1.00 0.00 O ATOM 1000 CB LYS B 28 13.910 2.056 -5.048 1.00 0.00 C ATOM 1001 CG LYS B 28 13.007 0.835 -5.038 1.00 0.00 C ATOM 1002 CD LYS B 28 13.760 -0.409 -5.482 1.00 0.00 C ATOM 1003 CE LYS B 28 12.868 -1.636 -5.505 1.00 0.00 C ATOM 1004 NZ LYS B 28 13.607 -2.839 -5.968 1.00 0.00 N ATOM 0 H LYS B 28 13.639 2.686 -2.671 1.00 0.00 H new ATOM 0 HA LYS B 28 15.422 0.967 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.308 2.940 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.322 2.180 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.608 0.683 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.156 1.003 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.177 -0.245 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.600 -0.584 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS B 28 12.468 -1.815 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.017 -1.456 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.968 -3.659 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.967 -2.676 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 14.405 -3.025 -5.327 1.00 0.00 H new ATOM 1018 N LYS B 29 16.255 4.109 -4.059 1.00 0.00 N ATOM 1019 CA LYS B 29 17.307 5.036 -4.447 1.00 0.00 C ATOM 1020 C LYS B 29 18.625 4.653 -3.774 1.00 0.00 C ATOM 1021 O LYS B 29 19.695 4.735 -4.379 1.00 0.00 O ATOM 1022 CB LYS B 29 16.912 6.468 -4.065 1.00 0.00 C ATOM 1023 CG LYS B 29 17.865 7.539 -4.581 1.00 0.00 C ATOM 1024 CD LYS B 29 17.847 7.634 -6.102 1.00 0.00 C ATOM 1025 CE LYS B 29 16.494 8.097 -6.627 1.00 0.00 C ATOM 1026 NZ LYS B 29 16.146 9.461 -6.148 1.00 0.00 N ATOM 0 H LYS B 29 15.576 4.493 -3.402 1.00 0.00 H new ATOM 0 HA LYS B 29 17.441 4.984 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.913 6.672 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.857 6.540 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.591 8.504 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.877 7.317 -4.244 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.621 8.327 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS B 29 18.088 6.661 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS B 29 16.506 8.088 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS B 29 15.723 7.394 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 15.338 9.825 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.893 9.421 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 16.962 10.093 -6.276 1.00 0.00 H new ATOM 1040 N LEU B 30 18.525 4.202 -2.528 1.00 0.00 N ATOM 1041 CA LEU B 30 19.695 3.836 -1.736 1.00 0.00 C ATOM 1042 C LEU B 30 20.220 2.460 -2.130 1.00 0.00 C ATOM 1043 O LEU B 30 21.428 2.259 -2.238 1.00 0.00 O ATOM 1044 CB LEU B 30 19.367 3.866 -0.239 1.00 0.00 C ATOM 1045 CG LEU B 30 19.412 5.251 0.417 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.308 6.152 -0.111 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.317 5.127 1.929 1.00 0.00 C ATOM 0 H LEU B 30 17.637 4.080 -2.041 1.00 0.00 H new ATOM 0 HA LEU B 30 20.474 4.570 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.372 3.446 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU B 30 20.067 3.213 0.282 1.00 0.00 H new ATOM 0 HG LEU B 30 20.367 5.709 0.161 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.369 7.126 0.375 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.423 6.276 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.338 5.701 0.100 1.00 0.00 H new ATOM 0 HD21 LEU B 30 19.350 6.120 2.378 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.379 4.639 2.196 1.00 0.00 H new ATOM 0 HD23 LEU B 30 20.153 4.533 2.299 1.00 0.00 H new ATOM 1059 N VAL B 31 19.311 1.518 -2.344 1.00 0.00 N ATOM 1060 CA VAL B 31 19.691 0.194 -2.823 1.00 0.00 C ATOM 1061 C VAL B 31 20.081 0.287 -4.293 1.00 0.00 C ATOM 1062 O VAL B 31 20.873 -0.509 -4.806 1.00 0.00 O ATOM 1063 CB VAL B 31 18.536 -0.826 -2.655 1.00 0.00 C ATOM 1064 CG1 VAL B 31 18.954 -2.210 -3.127 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.074 -0.879 -1.207 1.00 0.00 C ATOM 0 H VAL B 31 18.310 1.644 -2.195 1.00 0.00 H new ATOM 0 HA VAL B 31 20.535 -0.156 -2.229 1.00 0.00 H new ATOM 0 HB VAL B 31 17.704 -0.493 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.124 -2.905 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.230 -2.167 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.808 -2.552 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.263 -1.601 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.906 -1.180 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.722 0.106 -0.901 1.00 0.00 H new ATOM 1075 N GLY B 32 19.527 1.294 -4.952 1.00 0.00 N ATOM 1076 CA GLY B 32 19.795 1.529 -6.350 1.00 0.00 C ATOM 1077 C GLY B 32 21.218 1.982 -6.604 1.00 0.00 C ATOM 1078 O GLY B 32 21.940 1.366 -7.383 1.00 0.00 O ATOM 0 H GLY B 32 18.884 1.964 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.603 0.614 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.105 2.284 -6.726 1.00 0.00 H new ATOM 1082 N GLU B 33 21.621 3.059 -5.946 1.00 0.00 N ATOM 1083 CA GLU B 33 22.957 3.610 -6.135 1.00 0.00 C ATOM 1084 C GLU B 33 23.860 3.231 -4.971 1.00 0.00 C ATOM 1085 O GLU B 33 23.899 3.980 -3.976 1.00 0.00 O ATOM 1086 CB GLU B 33 22.905 5.134 -6.291 1.00 0.00 C ATOM 1087 CG GLU B 33 22.496 5.609 -7.681 1.00 0.00 C ATOM 1088 CD GLU B 33 21.110 5.153 -8.088 1.00 0.00 C ATOM 1089 OE1 GLU B 33 21.009 4.232 -8.926 1.00 0.00 O ATOM 1090 OE2 GLU B 33 20.124 5.712 -7.565 1.00 0.00 O ATOM 1091 OXT GLU B 33 24.524 2.175 -5.054 1.00 0.00 O ATOM 0 H GLU B 33 21.044 3.569 -5.277 1.00 0.00 H new ATOM 0 HA GLU B 33 23.369 3.186 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU B 33 22.204 5.539 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.886 5.546 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.536 6.698 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU B 33 23.220 5.243 -8.410 1.00 0.00 H new TER 1098 GLU B 33