USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1017 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 62 GLN : amide:sc= -5.63! K(o=-4.5!,f=1.4) USER MOD Set 1.2: B 65 SER OG : rot 113:sc= 1.15 USER MOD Set 2.1: B 7 THR OG1 : rot 122:sc= 0.135 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.275 USER MOD Set 3.1: A 35 ASN : amide:sc= -2.14! X(o=-1.1!,f=-0.95) USER MOD Set 3.2: A 42 THR OG1 : rot -38:sc= 1.03 USER MOD Set 4.1: A 9 HIS : no HD1:sc= -4.91! X(o=-6.8!,f=-6.4) USER MOD Set 4.2: A 29 GLN : amide:sc= -0.963 X(o=-6.8,f=-6.5!) USER MOD Set 4.3: A 37 ASN : amide:sc= -0.909 X(o=-6.8,f=-6.4) USER MOD Set 5.1: A 19 MET CE :methyl 165:sc= -5.31! (180deg=-6.31!) USER MOD Set 5.2: B 68 HIS : no HD1:sc= -8.79! C(o=-14!,f=-21!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -0.0326 (180deg=-0.276) USER MOD Single : A 14 SER OG : rot 63:sc= 0.0991 USER MOD Single : A 17 MET CE :methyl -123:sc= -1.14 (180deg=-6.74!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= -3.48! (180deg=-6.02!) USER MOD Single : A 31 HIS : no HE2:sc= -18.3! C(o=-18!,f=-27!) USER MOD Single : A 36 ASN : amide:sc= -2.99! K(o=-3!,f=-0.6) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0594 (180deg=-0.314) USER MOD Single : A 50 ASN : amide:sc= -5.48! C(o=-5.5!,f=-4.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -13:sc= 0.973 USER MOD Single : B 1 MET CE :methyl -170:sc= -0.132 (180deg=-0.511) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.062) USER MOD Single : B 6 LYS NZ :NH3+ 167:sc= -0.0164 (180deg=-0.203) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -43:sc= 1.08 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -2.94! K(o=-2.9!,f=-0.27) USER MOD Single : B 27 LYS NZ :NH3+ -119:sc= -0.751 (180deg=-3.9!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 167:sc= -0.128 (180deg=-0.351) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 LYS NZ :NH3+ -148:sc= -3.72! (180deg=-7.15!) USER MOD Single : B 40 GLN : amide:sc= -3.8 K(o=-3.8,f=-9!) USER MOD Single : B 41 GLN : amide:sc= -1.89 K(o=-1.9,f=-4.7!) USER MOD Single : B 48 LYS NZ :NH3+ -167:sc= -0.0327 (180deg=-0.254) USER MOD Single : B 49 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : B 55 THR OG1 : rot -43:sc= 1.16 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -15:sc= -0.0111 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -168:sc= -0.0215 (180deg=-0.209) USER MOD Single : B 66 THR OG1 : rot 180:sc= -1.77 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 6 18.006 -1.255 3.517 1.00 0.00 N ATOM 2 CA ASN A 6 17.318 -0.252 4.325 1.00 0.00 C ATOM 3 C ASN A 6 16.585 0.746 3.436 1.00 0.00 C ATOM 4 O ASN A 6 15.434 1.098 3.698 1.00 0.00 O ATOM 5 CB ASN A 6 18.315 0.492 5.218 1.00 0.00 C ATOM 6 CG ASN A 6 18.978 -0.413 6.237 1.00 0.00 C ATOM 7 OD1 ASN A 6 18.311 -1.015 7.079 1.00 0.00 O ATOM 8 ND2 ASN A 6 20.301 -0.511 6.168 1.00 0.00 N ATOM 0 HA ASN A 6 16.590 -0.767 4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 6 19.081 0.952 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 6 17.799 1.300 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 6 20.804 -1.103 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 6 20.814 0.006 5.454 1.00 0.00 H new ATOM 15 N ASP A 7 17.260 1.201 2.385 1.00 0.00 N ATOM 16 CA ASP A 7 16.678 2.159 1.451 1.00 0.00 C ATOM 17 C ASP A 7 15.557 1.503 0.638 1.00 0.00 C ATOM 18 O ASP A 7 14.604 0.969 1.206 1.00 0.00 O ATOM 19 CB ASP A 7 17.766 2.726 0.533 1.00 0.00 C ATOM 20 CG ASP A 7 17.274 3.886 -0.314 1.00 0.00 C ATOM 21 OD1 ASP A 7 16.838 4.902 0.267 1.00 0.00 O ATOM 22 OD2 ASP A 7 17.331 3.779 -1.558 1.00 0.00 O ATOM 0 H ASP A 7 18.214 0.920 2.158 1.00 0.00 H new ATOM 0 HA ASP A 7 16.243 2.983 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 7 18.610 3.056 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 7 18.133 1.934 -0.121 1.00 0.00 H new ATOM 27 N ASP A 8 15.673 1.546 -0.690 1.00 0.00 N ATOM 28 CA ASP A 8 14.668 0.954 -1.569 1.00 0.00 C ATOM 29 C ASP A 8 13.292 1.561 -1.319 1.00 0.00 C ATOM 30 O ASP A 8 12.276 0.868 -1.399 1.00 0.00 O ATOM 31 CB ASP A 8 14.608 -0.562 -1.368 1.00 0.00 C ATOM 32 CG ASP A 8 15.929 -1.244 -1.666 1.00 0.00 C ATOM 33 OD1 ASP A 8 16.894 -0.539 -2.033 1.00 0.00 O ATOM 34 OD2 ASP A 8 16.001 -2.483 -1.533 1.00 0.00 O ATOM 0 H ASP A 8 16.453 1.985 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 8 14.959 1.168 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.317 -0.777 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.835 -0.980 -2.013 1.00 0.00 H new ATOM 39 N HIS A 9 13.262 2.855 -1.021 1.00 0.00 N ATOM 40 CA HIS A 9 12.003 3.542 -0.767 1.00 0.00 C ATOM 41 C HIS A 9 11.198 3.674 -2.055 1.00 0.00 C ATOM 42 O HIS A 9 9.981 3.845 -2.021 1.00 0.00 O ATOM 43 CB HIS A 9 12.218 4.909 -0.098 1.00 0.00 C ATOM 44 CG HIS A 9 12.561 6.047 -1.019 1.00 0.00 C ATOM 45 ND1 HIS A 9 12.368 7.364 -0.658 1.00 0.00 N ATOM 46 CD2 HIS A 9 13.080 6.080 -2.273 1.00 0.00 C ATOM 47 CE1 HIS A 9 12.746 8.153 -1.642 1.00 0.00 C ATOM 48 NE2 HIS A 9 13.186 7.401 -2.634 1.00 0.00 N ATOM 0 H HIS A 9 14.090 3.446 -0.950 1.00 0.00 H new ATOM 0 HA HIS A 9 11.430 2.936 -0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.312 5.170 0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.016 4.810 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.358 5.227 -2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.703 9.232 -1.638 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.546 7.745 -3.524 1.00 0.00 H new ATOM 57 N GLU A 10 11.896 3.613 -3.189 1.00 0.00 N ATOM 58 CA GLU A 10 11.259 3.742 -4.494 1.00 0.00 C ATOM 59 C GLU A 10 10.063 2.805 -4.605 1.00 0.00 C ATOM 60 O GLU A 10 9.035 3.167 -5.173 1.00 0.00 O ATOM 61 CB GLU A 10 12.266 3.438 -5.606 1.00 0.00 C ATOM 62 CG GLU A 10 13.494 4.333 -5.575 1.00 0.00 C ATOM 63 CD GLU A 10 14.477 4.012 -6.683 1.00 0.00 C ATOM 64 OE1 GLU A 10 14.089 4.111 -7.866 1.00 0.00 O ATOM 65 OE2 GLU A 10 15.634 3.661 -6.370 1.00 0.00 O ATOM 0 H GLU A 10 12.906 3.475 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 10 10.907 4.768 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.582 2.398 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.772 3.546 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.183 5.374 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.992 4.228 -4.611 1.00 0.00 H new ATOM 72 N SER A 11 10.188 1.611 -4.032 1.00 0.00 N ATOM 73 CA SER A 11 9.092 0.652 -4.049 1.00 0.00 C ATOM 74 C SER A 11 7.890 1.262 -3.337 1.00 0.00 C ATOM 75 O SER A 11 6.758 1.214 -3.829 1.00 0.00 O ATOM 76 CB SER A 11 9.507 -0.652 -3.364 1.00 0.00 C ATOM 77 OG SER A 11 8.453 -1.600 -3.385 1.00 0.00 O ATOM 0 H SER A 11 11.030 1.288 -3.555 1.00 0.00 H new ATOM 0 HA SER A 11 8.830 0.422 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.382 -1.066 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.796 -0.448 -2.333 1.00 0.00 H new ATOM 0 HG SER A 11 8.745 -2.424 -2.942 1.00 0.00 H new ATOM 83 N LYS A 12 8.163 1.869 -2.186 1.00 0.00 N ATOM 84 CA LYS A 12 7.131 2.528 -1.403 1.00 0.00 C ATOM 85 C LYS A 12 6.495 3.623 -2.249 1.00 0.00 C ATOM 86 O LYS A 12 5.281 3.827 -2.224 1.00 0.00 O ATOM 87 CB LYS A 12 7.731 3.135 -0.130 1.00 0.00 C ATOM 88 CG LYS A 12 8.817 2.282 0.514 1.00 0.00 C ATOM 89 CD LYS A 12 8.316 0.894 0.876 1.00 0.00 C ATOM 90 CE LYS A 12 9.423 0.052 1.492 1.00 0.00 C ATOM 91 NZ LYS A 12 9.966 0.671 2.733 1.00 0.00 N ATOM 0 H LYS A 12 9.096 1.916 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 12 6.376 1.798 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.147 4.114 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.933 3.295 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.662 2.195 -0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.183 2.780 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.485 0.976 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.933 0.399 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.039 -0.942 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.228 -0.076 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.538 -0.028 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.559 1.488 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.180 0.987 3.336 1.00 0.00 H new ATOM 105 N LEU A 13 7.342 4.309 -3.015 1.00 0.00 N ATOM 106 CA LEU A 13 6.898 5.375 -3.900 1.00 0.00 C ATOM 107 C LEU A 13 5.916 4.823 -4.924 1.00 0.00 C ATOM 108 O LEU A 13 4.909 5.457 -5.241 1.00 0.00 O ATOM 109 CB LEU A 13 8.105 6.008 -4.603 1.00 0.00 C ATOM 110 CG LEU A 13 7.783 7.154 -5.565 1.00 0.00 C ATOM 111 CD1 LEU A 13 7.129 8.310 -4.823 1.00 0.00 C ATOM 112 CD2 LEU A 13 9.049 7.621 -6.269 1.00 0.00 C ATOM 0 H LEU A 13 8.348 4.140 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 13 6.395 6.143 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.793 6.378 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.630 5.229 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 13 7.081 6.789 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.908 9.114 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.203 7.968 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.806 8.677 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.807 8.436 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.770 7.969 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.479 6.793 -6.832 1.00 0.00 H new ATOM 124 N SER A 14 6.210 3.623 -5.425 1.00 0.00 N ATOM 125 CA SER A 14 5.343 2.971 -6.396 1.00 0.00 C ATOM 126 C SER A 14 3.955 2.793 -5.800 1.00 0.00 C ATOM 127 O SER A 14 2.948 3.124 -6.428 1.00 0.00 O ATOM 128 CB SER A 14 5.919 1.613 -6.805 1.00 0.00 C ATOM 129 OG SER A 14 7.202 1.758 -7.387 1.00 0.00 O ATOM 0 H SER A 14 7.040 3.087 -5.173 1.00 0.00 H new ATOM 0 HA SER A 14 5.276 3.597 -7.286 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.984 0.964 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.247 1.128 -7.514 1.00 0.00 H new ATOM 0 HG SER A 14 7.821 2.130 -6.725 1.00 0.00 H new ATOM 135 N ILE A 15 3.914 2.293 -4.565 1.00 0.00 N ATOM 136 CA ILE A 15 2.647 2.102 -3.869 1.00 0.00 C ATOM 137 C ILE A 15 1.900 3.429 -3.771 1.00 0.00 C ATOM 138 O ILE A 15 0.686 3.481 -3.936 1.00 0.00 O ATOM 139 CB ILE A 15 2.847 1.517 -2.448 1.00 0.00 C ATOM 140 CG1 ILE A 15 3.075 0.002 -2.504 1.00 0.00 C ATOM 141 CG2 ILE A 15 1.648 1.829 -1.563 1.00 0.00 C ATOM 142 CD1 ILE A 15 4.314 -0.413 -3.270 1.00 0.00 C ATOM 0 H ILE A 15 4.738 2.016 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 15 2.063 1.386 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 15 3.733 1.985 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.146 -0.381 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.205 -0.468 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.810 1.409 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.525 2.909 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.750 1.392 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.400 -1.500 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.239 -0.063 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.195 0.025 -2.801 1.00 0.00 H new ATOM 154 N LEU A 16 2.641 4.501 -3.501 1.00 0.00 N ATOM 155 CA LEU A 16 2.053 5.831 -3.383 1.00 0.00 C ATOM 156 C LEU A 16 1.374 6.253 -4.683 1.00 0.00 C ATOM 157 O LEU A 16 0.288 6.831 -4.667 1.00 0.00 O ATOM 158 CB LEU A 16 3.129 6.854 -3.008 1.00 0.00 C ATOM 159 CG LEU A 16 3.813 6.615 -1.659 1.00 0.00 C ATOM 160 CD1 LEU A 16 4.956 7.599 -1.461 1.00 0.00 C ATOM 161 CD2 LEU A 16 2.806 6.735 -0.525 1.00 0.00 C ATOM 0 H LEU A 16 3.651 4.473 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 16 1.298 5.793 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.891 6.859 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.677 7.846 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 16 4.222 5.605 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.431 7.415 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.689 7.470 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.568 8.617 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.308 6.562 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.370 7.734 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.017 5.995 -0.659 1.00 0.00 H new ATOM 173 N MET A 17 2.027 5.971 -5.805 1.00 0.00 N ATOM 174 CA MET A 17 1.493 6.331 -7.115 1.00 0.00 C ATOM 175 C MET A 17 0.179 5.608 -7.403 1.00 0.00 C ATOM 176 O MET A 17 -0.827 6.238 -7.732 1.00 0.00 O ATOM 177 CB MET A 17 2.509 6.002 -8.210 1.00 0.00 C ATOM 178 CG MET A 17 3.841 6.717 -8.044 1.00 0.00 C ATOM 179 SD MET A 17 5.022 6.290 -9.337 1.00 0.00 S ATOM 180 CE MET A 17 6.443 7.259 -8.836 1.00 0.00 C ATOM 0 H MET A 17 2.928 5.494 -5.834 1.00 0.00 H new ATOM 0 HA MET A 17 1.298 7.403 -7.107 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.683 4.926 -8.220 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.084 6.265 -9.179 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.674 7.794 -8.050 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.265 6.466 -7.072 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.736 7.922 -9.650 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.187 7.853 -7.958 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.271 6.593 -8.595 1.00 0.00 H new ATOM 190 N ASP A 18 0.197 4.284 -7.289 1.00 0.00 N ATOM 191 CA ASP A 18 -0.991 3.477 -7.549 1.00 0.00 C ATOM 192 C ASP A 18 -2.091 3.759 -6.527 1.00 0.00 C ATOM 193 O ASP A 18 -3.261 3.898 -6.885 1.00 0.00 O ATOM 194 CB ASP A 18 -0.632 1.989 -7.538 1.00 0.00 C ATOM 195 CG ASP A 18 -1.811 1.100 -7.885 1.00 0.00 C ATOM 196 OD1 ASP A 18 -2.821 1.136 -7.153 1.00 0.00 O ATOM 197 OD2 ASP A 18 -1.723 0.367 -8.893 1.00 0.00 O ATOM 0 H ASP A 18 1.021 3.747 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.370 3.748 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.175 1.809 -8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.255 1.718 -6.552 1.00 0.00 H new ATOM 202 N MET A 19 -1.711 3.832 -5.256 1.00 0.00 N ATOM 203 CA MET A 19 -2.666 4.087 -4.181 1.00 0.00 C ATOM 204 C MET A 19 -3.363 5.432 -4.371 1.00 0.00 C ATOM 205 O MET A 19 -4.581 5.532 -4.228 1.00 0.00 O ATOM 206 CB MET A 19 -1.961 4.050 -2.822 1.00 0.00 C ATOM 207 CG MET A 19 -2.906 4.175 -1.640 1.00 0.00 C ATOM 208 SD MET A 19 -2.044 4.240 -0.058 1.00 0.00 S ATOM 209 CE MET A 19 -1.466 2.552 0.085 1.00 0.00 C ATOM 0 H MET A 19 -0.747 3.718 -4.943 1.00 0.00 H new ATOM 0 HA MET A 19 -3.422 3.303 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.407 3.115 -2.735 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.231 4.858 -2.779 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.509 5.075 -1.757 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.593 3.329 -1.639 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.702 2.493 0.861 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.301 1.903 0.348 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.042 2.231 -0.866 1.00 0.00 H new ATOM 219 N PHE A 20 -2.584 6.463 -4.692 1.00 0.00 N ATOM 220 CA PHE A 20 -3.134 7.800 -4.900 1.00 0.00 C ATOM 221 C PHE A 20 -3.142 8.160 -6.387 1.00 0.00 C ATOM 222 O PHE A 20 -2.173 8.723 -6.899 1.00 0.00 O ATOM 223 CB PHE A 20 -2.324 8.842 -4.124 1.00 0.00 C ATOM 224 CG PHE A 20 -2.091 8.483 -2.683 1.00 0.00 C ATOM 225 CD1 PHE A 20 -3.156 8.342 -1.807 1.00 0.00 C ATOM 226 CD2 PHE A 20 -0.805 8.296 -2.205 1.00 0.00 C ATOM 227 CE1 PHE A 20 -2.941 8.018 -0.482 1.00 0.00 C ATOM 228 CE2 PHE A 20 -0.584 7.971 -0.881 1.00 0.00 C ATOM 229 CZ PHE A 20 -1.653 7.832 -0.018 1.00 0.00 C ATOM 0 H PHE A 20 -1.573 6.398 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.160 7.799 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.360 8.978 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.843 9.799 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.165 8.487 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.035 8.406 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.779 7.910 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.424 7.826 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.483 7.578 1.018 1.00 0.00 H new ATOM 239 N PRO A 21 -4.236 7.840 -7.101 1.00 0.00 N ATOM 240 CA PRO A 21 -4.362 8.134 -8.530 1.00 0.00 C ATOM 241 C PRO A 21 -4.706 9.598 -8.797 1.00 0.00 C ATOM 242 O PRO A 21 -5.656 9.899 -9.521 1.00 0.00 O ATOM 243 CB PRO A 21 -5.509 7.226 -8.966 1.00 0.00 C ATOM 244 CG PRO A 21 -6.370 7.115 -7.755 1.00 0.00 C ATOM 245 CD PRO A 21 -5.440 7.166 -6.572 1.00 0.00 C ATOM 0 HA PRO A 21 -3.430 7.964 -9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.057 7.653 -9.806 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.144 6.250 -9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.094 7.929 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.937 6.184 -7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.878 7.721 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.209 6.167 -6.201 1.00 0.00 H new ATOM 253 N ALA A 22 -3.934 10.506 -8.206 1.00 0.00 N ATOM 254 CA ALA A 22 -4.169 11.935 -8.383 1.00 0.00 C ATOM 255 C ALA A 22 -2.977 12.759 -7.909 1.00 0.00 C ATOM 256 O ALA A 22 -2.616 13.756 -8.537 1.00 0.00 O ATOM 257 CB ALA A 22 -5.430 12.355 -7.641 1.00 0.00 C ATOM 0 H ALA A 22 -3.144 10.278 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.302 12.124 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.595 13.423 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.284 11.802 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.315 12.141 -6.578 1.00 0.00 H new ATOM 263 N ILE A 23 -2.370 12.346 -6.801 1.00 0.00 N ATOM 264 CA ILE A 23 -1.223 13.058 -6.253 1.00 0.00 C ATOM 265 C ILE A 23 -0.045 13.028 -7.220 1.00 0.00 C ATOM 266 O ILE A 23 0.297 11.981 -7.768 1.00 0.00 O ATOM 267 CB ILE A 23 -0.783 12.469 -4.899 1.00 0.00 C ATOM 268 CG1 ILE A 23 -1.930 12.553 -3.889 1.00 0.00 C ATOM 269 CG2 ILE A 23 0.447 13.202 -4.380 1.00 0.00 C ATOM 270 CD1 ILE A 23 -1.595 11.967 -2.533 1.00 0.00 C ATOM 0 H ILE A 23 -2.653 11.524 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.537 14.090 -6.100 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.523 11.420 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.215 13.598 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.798 12.033 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.747 12.776 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.262 13.097 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.213 14.259 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.456 12.063 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.340 10.913 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.747 12.502 -2.105 1.00 0.00 H new ATOM 282 N SER A 24 0.574 14.187 -7.417 1.00 0.00 N ATOM 283 CA SER A 24 1.718 14.306 -8.312 1.00 0.00 C ATOM 284 C SER A 24 2.906 13.511 -7.784 1.00 0.00 C ATOM 285 O SER A 24 3.108 13.408 -6.574 1.00 0.00 O ATOM 286 CB SER A 24 2.109 15.774 -8.483 1.00 0.00 C ATOM 287 OG SER A 24 3.221 15.906 -9.352 1.00 0.00 O ATOM 0 H SER A 24 0.301 15.060 -6.967 1.00 0.00 H new ATOM 0 HA SER A 24 1.432 13.898 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.263 16.335 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.349 16.206 -7.511 1.00 0.00 H new ATOM 0 HG SER A 24 3.451 16.854 -9.447 1.00 0.00 H new ATOM 293 N LYS A 25 3.690 12.952 -8.703 1.00 0.00 N ATOM 294 CA LYS A 25 4.865 12.166 -8.339 1.00 0.00 C ATOM 295 C LYS A 25 5.774 12.952 -7.397 1.00 0.00 C ATOM 296 O LYS A 25 6.294 12.408 -6.421 1.00 0.00 O ATOM 297 CB LYS A 25 5.640 11.768 -9.597 1.00 0.00 C ATOM 298 CG LYS A 25 6.894 10.957 -9.315 1.00 0.00 C ATOM 299 CD LYS A 25 7.640 10.620 -10.597 1.00 0.00 C ATOM 300 CE LYS A 25 8.892 9.804 -10.317 1.00 0.00 C ATOM 301 NZ LYS A 25 9.638 9.482 -11.566 1.00 0.00 N ATOM 0 H LYS A 25 3.532 13.030 -9.708 1.00 0.00 H new ATOM 0 HA LYS A 25 4.528 11.267 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.984 11.191 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.917 12.670 -10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.549 11.518 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.624 10.037 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.983 10.063 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.913 11.541 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.542 10.357 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.616 8.879 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.484 8.925 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.027 8.932 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.924 10.364 -12.037 1.00 0.00 H new ATOM 315 N SER A 26 5.958 14.232 -7.698 1.00 0.00 N ATOM 316 CA SER A 26 6.804 15.099 -6.886 1.00 0.00 C ATOM 317 C SER A 26 6.302 15.167 -5.448 1.00 0.00 C ATOM 318 O SER A 26 7.076 15.010 -4.506 1.00 0.00 O ATOM 319 CB SER A 26 6.853 16.505 -7.485 1.00 0.00 C ATOM 320 OG SER A 26 7.378 16.481 -8.802 1.00 0.00 O ATOM 0 H SER A 26 5.531 14.694 -8.501 1.00 0.00 H new ATOM 0 HA SER A 26 7.808 14.676 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.851 16.933 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.468 17.150 -6.857 1.00 0.00 H new ATOM 0 HG SER A 26 7.397 17.392 -9.163 1.00 0.00 H new ATOM 326 N LYS A 27 5.003 15.403 -5.286 1.00 0.00 N ATOM 327 CA LYS A 27 4.400 15.496 -3.960 1.00 0.00 C ATOM 328 C LYS A 27 4.632 14.219 -3.161 1.00 0.00 C ATOM 329 O LYS A 27 4.957 14.272 -1.976 1.00 0.00 O ATOM 330 CB LYS A 27 2.902 15.780 -4.080 1.00 0.00 C ATOM 331 CG LYS A 27 2.210 15.980 -2.741 1.00 0.00 C ATOM 332 CD LYS A 27 0.741 16.344 -2.911 1.00 0.00 C ATOM 333 CE LYS A 27 0.560 17.746 -3.480 1.00 0.00 C ATOM 334 NZ LYS A 27 1.029 17.851 -4.890 1.00 0.00 N ATOM 0 H LYS A 27 4.348 15.533 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 27 4.876 16.319 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.758 16.671 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.425 14.953 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.292 15.068 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.717 16.768 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.263 15.621 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.237 16.277 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.493 18.023 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.108 18.459 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.360 18.430 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.969 18.295 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.086 16.901 -5.309 1.00 0.00 H new ATOM 348 N LEU A 28 4.466 13.073 -3.813 1.00 0.00 N ATOM 349 CA LEU A 28 4.662 11.787 -3.152 1.00 0.00 C ATOM 350 C LEU A 28 6.090 11.656 -2.627 1.00 0.00 C ATOM 351 O LEU A 28 6.307 11.261 -1.480 1.00 0.00 O ATOM 352 CB LEU A 28 4.335 10.640 -4.114 1.00 0.00 C ATOM 353 CG LEU A 28 2.871 10.569 -4.565 1.00 0.00 C ATOM 354 CD1 LEU A 28 2.680 9.482 -5.612 1.00 0.00 C ATOM 355 CD2 LEU A 28 1.956 10.324 -3.376 1.00 0.00 C ATOM 0 H LEU A 28 4.197 13.008 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 28 3.983 11.733 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.967 10.735 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.598 9.697 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 28 2.608 11.527 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.634 9.450 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.304 9.698 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.965 8.518 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.922 10.277 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.224 9.382 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.065 11.138 -2.659 1.00 0.00 H new ATOM 367 N GLN A 29 7.059 12.002 -3.466 1.00 0.00 N ATOM 368 CA GLN A 29 8.466 11.933 -3.083 1.00 0.00 C ATOM 369 C GLN A 29 8.768 12.897 -1.937 1.00 0.00 C ATOM 370 O GLN A 29 9.530 12.573 -1.025 1.00 0.00 O ATOM 371 CB GLN A 29 9.357 12.260 -4.284 1.00 0.00 C ATOM 372 CG GLN A 29 10.845 12.208 -3.977 1.00 0.00 C ATOM 373 CD GLN A 29 11.313 10.824 -3.573 1.00 0.00 C ATOM 374 OE1 GLN A 29 10.852 10.265 -2.579 1.00 0.00 O ATOM 375 NE2 GLN A 29 12.237 10.264 -4.346 1.00 0.00 N ATOM 0 H GLN A 29 6.897 12.334 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 29 8.675 10.918 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.137 11.559 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.106 13.255 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.404 12.534 -4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.071 12.911 -3.176 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.591 10.764 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.592 9.334 -4.124 1.00 0.00 H new ATOM 384 N VAL A 30 8.179 14.088 -2.000 1.00 0.00 N ATOM 385 CA VAL A 30 8.398 15.108 -0.980 1.00 0.00 C ATOM 386 C VAL A 30 7.891 14.679 0.395 1.00 0.00 C ATOM 387 O VAL A 30 8.652 14.676 1.362 1.00 0.00 O ATOM 388 CB VAL A 30 7.731 16.443 -1.367 1.00 0.00 C ATOM 389 CG1 VAL A 30 7.910 17.476 -0.264 1.00 0.00 C ATOM 390 CG2 VAL A 30 8.300 16.961 -2.679 1.00 0.00 C ATOM 0 H VAL A 30 7.546 14.370 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 30 9.478 15.243 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 30 6.663 16.266 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.431 18.410 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.454 17.109 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.973 17.650 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.818 17.904 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.373 17.119 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.117 16.232 -3.468 1.00 0.00 H new ATOM 400 N HIS A 31 6.607 14.336 0.495 1.00 0.00 N ATOM 401 CA HIS A 31 6.039 13.937 1.779 1.00 0.00 C ATOM 402 C HIS A 31 6.733 12.701 2.334 1.00 0.00 C ATOM 403 O HIS A 31 7.011 12.619 3.530 1.00 0.00 O ATOM 404 CB HIS A 31 4.526 13.696 1.680 1.00 0.00 C ATOM 405 CG HIS A 31 4.104 12.567 0.796 1.00 0.00 C ATOM 406 ND1 HIS A 31 4.516 11.267 0.983 1.00 0.00 N ATOM 407 CD2 HIS A 31 3.235 12.537 -0.240 1.00 0.00 C ATOM 408 CE1 HIS A 31 3.917 10.486 0.106 1.00 0.00 C ATOM 409 NE2 HIS A 31 3.131 11.230 -0.648 1.00 0.00 N ATOM 0 H HIS A 31 5.950 14.326 -0.286 1.00 0.00 H new ATOM 0 HA HIS A 31 6.206 14.764 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.140 13.511 2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.054 14.610 1.320 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.182 10.956 1.691 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.719 13.384 -0.667 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.048 9.417 0.019 1.00 0.00 H new ATOM 418 N LEU A 32 7.000 11.742 1.463 1.00 0.00 N ATOM 419 CA LEU A 32 7.655 10.504 1.867 1.00 0.00 C ATOM 420 C LEU A 32 9.009 10.778 2.517 1.00 0.00 C ATOM 421 O LEU A 32 9.311 10.246 3.584 1.00 0.00 O ATOM 422 CB LEU A 32 7.830 9.576 0.662 1.00 0.00 C ATOM 423 CG LEU A 32 8.471 8.222 0.974 1.00 0.00 C ATOM 424 CD1 LEU A 32 7.638 7.461 1.995 1.00 0.00 C ATOM 425 CD2 LEU A 32 8.632 7.403 -0.299 1.00 0.00 C ATOM 0 H LEU A 32 6.774 11.795 0.470 1.00 0.00 H new ATOM 0 HA LEU A 32 7.018 10.016 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.853 9.403 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.439 10.086 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 32 9.460 8.398 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.108 6.500 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.571 8.041 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.637 7.295 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.089 6.443 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.654 7.236 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.268 7.942 -1.001 1.00 0.00 H new ATOM 437 N LEU A 33 9.826 11.604 1.867 1.00 0.00 N ATOM 438 CA LEU A 33 11.152 11.935 2.385 1.00 0.00 C ATOM 439 C LEU A 33 11.081 12.781 3.654 1.00 0.00 C ATOM 440 O LEU A 33 11.778 12.505 4.630 1.00 0.00 O ATOM 441 CB LEU A 33 11.968 12.671 1.320 1.00 0.00 C ATOM 442 CG LEU A 33 12.373 11.828 0.109 1.00 0.00 C ATOM 443 CD1 LEU A 33 13.084 12.687 -0.925 1.00 0.00 C ATOM 444 CD2 LEU A 33 13.263 10.671 0.540 1.00 0.00 C ATOM 0 H LEU A 33 9.594 12.056 0.982 1.00 0.00 H new ATOM 0 HA LEU A 33 11.641 10.995 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.390 13.526 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.871 13.066 1.786 1.00 0.00 H new ATOM 0 HG LEU A 33 11.469 11.420 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.365 12.071 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.418 13.484 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.980 13.123 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.542 10.082 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.162 11.062 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.723 10.040 1.246 1.00 0.00 H new ATOM 456 N GLU A 34 10.253 13.823 3.629 1.00 0.00 N ATOM 457 CA GLU A 34 10.113 14.720 4.774 1.00 0.00 C ATOM 458 C GLU A 34 9.778 13.957 6.052 1.00 0.00 C ATOM 459 O GLU A 34 10.362 14.215 7.105 1.00 0.00 O ATOM 460 CB GLU A 34 9.037 15.775 4.503 1.00 0.00 C ATOM 461 CG GLU A 34 9.398 16.744 3.388 1.00 0.00 C ATOM 462 CD GLU A 34 8.324 17.790 3.156 1.00 0.00 C ATOM 463 OE1 GLU A 34 7.182 17.404 2.827 1.00 0.00 O ATOM 464 OE2 GLU A 34 8.624 18.992 3.306 1.00 0.00 O ATOM 0 H GLU A 34 9.669 14.067 2.829 1.00 0.00 H new ATOM 0 HA GLU A 34 11.074 15.214 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.104 15.272 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.855 16.339 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.337 17.240 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.563 16.187 2.466 1.00 0.00 H new ATOM 471 N ASN A 35 8.834 13.027 5.961 1.00 0.00 N ATOM 472 CA ASN A 35 8.429 12.245 7.124 1.00 0.00 C ATOM 473 C ASN A 35 9.574 11.369 7.624 1.00 0.00 C ATOM 474 O ASN A 35 10.209 11.688 8.631 1.00 0.00 O ATOM 475 CB ASN A 35 7.207 11.382 6.795 1.00 0.00 C ATOM 476 CG ASN A 35 5.982 12.207 6.426 1.00 0.00 C ATOM 477 OD1 ASN A 35 4.883 11.671 6.287 1.00 0.00 O ATOM 478 ND2 ASN A 35 6.162 13.511 6.254 1.00 0.00 N ATOM 0 H ASN A 35 8.337 12.797 5.100 1.00 0.00 H new ATOM 0 HA ASN A 35 8.162 12.943 7.918 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.452 10.714 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.970 10.753 7.654 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.374 14.105 5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.089 13.919 6.378 1.00 0.00 H new ATOM 485 N ASN A 36 9.835 10.273 6.909 1.00 0.00 N ATOM 486 CA ASN A 36 10.908 9.343 7.269 1.00 0.00 C ATOM 487 C ASN A 36 10.824 8.085 6.407 1.00 0.00 C ATOM 488 O ASN A 36 11.100 6.977 6.871 1.00 0.00 O ATOM 489 CB ASN A 36 10.824 8.961 8.753 1.00 0.00 C ATOM 490 CG ASN A 36 12.040 8.190 9.244 1.00 0.00 C ATOM 491 OD1 ASN A 36 12.087 7.761 10.397 1.00 0.00 O ATOM 492 ND2 ASN A 36 13.034 8.016 8.378 1.00 0.00 N ATOM 0 H ASN A 36 9.315 10.006 6.073 1.00 0.00 H new ATOM 0 HA ASN A 36 11.862 9.839 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.712 9.867 9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.930 8.359 8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.874 7.511 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.956 8.387 7.431 1.00 0.00 H new ATOM 499 N ASN A 37 10.439 8.268 5.150 1.00 0.00 N ATOM 500 CA ASN A 37 10.312 7.159 4.210 1.00 0.00 C ATOM 501 C ASN A 37 9.382 6.076 4.757 1.00 0.00 C ATOM 502 O ASN A 37 9.631 4.883 4.581 1.00 0.00 O ATOM 503 CB ASN A 37 11.691 6.565 3.909 1.00 0.00 C ATOM 504 CG ASN A 37 12.666 7.606 3.393 1.00 0.00 C ATOM 505 OD1 ASN A 37 12.976 8.578 4.081 1.00 0.00 O ATOM 506 ND2 ASN A 37 13.151 7.409 2.173 1.00 0.00 N ATOM 0 H ASN A 37 10.208 9.180 4.755 1.00 0.00 H new ATOM 0 HA ASN A 37 9.878 7.544 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.094 6.110 4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.588 5.769 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.808 8.078 1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.867 6.589 1.637 1.00 0.00 H new ATOM 513 N ASP A 38 8.308 6.502 5.419 1.00 0.00 N ATOM 514 CA ASP A 38 7.339 5.569 5.988 1.00 0.00 C ATOM 515 C ASP A 38 6.014 5.639 5.232 1.00 0.00 C ATOM 516 O ASP A 38 5.551 6.722 4.873 1.00 0.00 O ATOM 517 CB ASP A 38 7.115 5.874 7.472 1.00 0.00 C ATOM 518 CG ASP A 38 6.312 4.794 8.171 1.00 0.00 C ATOM 519 OD1 ASP A 38 5.174 4.527 7.738 1.00 0.00 O ATOM 520 OD2 ASP A 38 6.825 4.216 9.152 1.00 0.00 O ATOM 0 H ASP A 38 8.087 7.486 5.574 1.00 0.00 H new ATOM 0 HA ASP A 38 7.739 4.560 5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.080 5.983 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.597 6.828 7.570 1.00 0.00 H new ATOM 525 N LEU A 39 5.414 4.479 4.979 1.00 0.00 N ATOM 526 CA LEU A 39 4.150 4.415 4.250 1.00 0.00 C ATOM 527 C LEU A 39 2.941 4.601 5.165 1.00 0.00 C ATOM 528 O LEU A 39 2.111 5.474 4.933 1.00 0.00 O ATOM 529 CB LEU A 39 4.030 3.080 3.512 1.00 0.00 C ATOM 530 CG LEU A 39 4.993 2.899 2.337 1.00 0.00 C ATOM 531 CD1 LEU A 39 4.859 1.502 1.747 1.00 0.00 C ATOM 532 CD2 LEU A 39 4.733 3.954 1.272 1.00 0.00 C ATOM 0 H LEU A 39 5.781 3.572 5.267 1.00 0.00 H new ATOM 0 HA LEU A 39 4.155 5.237 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.196 2.272 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.009 2.976 3.144 1.00 0.00 H new ATOM 0 HG LEU A 39 6.012 3.021 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.551 1.392 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.091 0.760 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.839 1.352 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.426 3.812 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.709 3.861 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.877 4.946 1.700 1.00 0.00 H new ATOM 544 N ASP A 40 2.830 3.761 6.187 1.00 0.00 N ATOM 545 CA ASP A 40 1.697 3.824 7.108 1.00 0.00 C ATOM 546 C ASP A 40 1.522 5.214 7.724 1.00 0.00 C ATOM 547 O ASP A 40 0.399 5.705 7.848 1.00 0.00 O ATOM 548 CB ASP A 40 1.843 2.766 8.207 1.00 0.00 C ATOM 549 CG ASP A 40 3.131 2.904 8.998 1.00 0.00 C ATOM 550 OD1 ASP A 40 3.301 3.931 9.686 1.00 0.00 O ATOM 551 OD2 ASP A 40 3.969 1.981 8.931 1.00 0.00 O ATOM 0 H ASP A 40 3.508 3.029 6.400 1.00 0.00 H new ATOM 0 HA ASP A 40 0.799 3.616 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.995 2.839 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.805 1.774 7.756 1.00 0.00 H new ATOM 556 N LEU A 41 2.625 5.837 8.121 1.00 0.00 N ATOM 557 CA LEU A 41 2.573 7.160 8.739 1.00 0.00 C ATOM 558 C LEU A 41 2.175 8.236 7.728 1.00 0.00 C ATOM 559 O LEU A 41 1.161 8.919 7.899 1.00 0.00 O ATOM 560 CB LEU A 41 3.936 7.495 9.366 1.00 0.00 C ATOM 561 CG LEU A 41 3.963 8.694 10.328 1.00 0.00 C ATOM 562 CD1 LEU A 41 3.724 10.005 9.589 1.00 0.00 C ATOM 563 CD2 LEU A 41 2.935 8.512 11.437 1.00 0.00 C ATOM 0 H LEU A 41 3.564 5.451 8.027 1.00 0.00 H new ATOM 0 HA LEU A 41 1.811 7.141 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.291 6.616 9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.646 7.685 8.561 1.00 0.00 H new ATOM 0 HG LEU A 41 4.956 8.740 10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.749 10.832 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.502 10.147 8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.750 9.975 9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.968 9.370 12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.939 8.431 11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.161 7.604 11.997 1.00 0.00 H new ATOM 575 N THR A 42 2.983 8.393 6.682 1.00 0.00 N ATOM 576 CA THR A 42 2.717 9.400 5.659 1.00 0.00 C ATOM 577 C THR A 42 1.344 9.200 5.031 1.00 0.00 C ATOM 578 O THR A 42 0.519 10.114 5.022 1.00 0.00 O ATOM 579 CB THR A 42 3.781 9.372 4.547 1.00 0.00 C ATOM 580 OG1 THR A 42 5.094 9.398 5.118 1.00 0.00 O ATOM 581 CG2 THR A 42 3.608 10.563 3.617 1.00 0.00 C ATOM 0 H THR A 42 3.824 7.838 6.521 1.00 0.00 H new ATOM 0 HA THR A 42 2.749 10.368 6.159 1.00 0.00 H new ATOM 0 HB THR A 42 3.655 8.453 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.102 9.998 5.893 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.368 10.528 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.618 10.528 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.714 11.487 4.186 1.00 0.00 H new ATOM 589 N ILE A 43 1.104 8.001 4.515 1.00 0.00 N ATOM 590 CA ILE A 43 -0.173 7.682 3.890 1.00 0.00 C ATOM 591 C ILE A 43 -1.319 7.896 4.871 1.00 0.00 C ATOM 592 O ILE A 43 -2.364 8.433 4.506 1.00 0.00 O ATOM 593 CB ILE A 43 -0.212 6.230 3.375 1.00 0.00 C ATOM 594 CG1 ILE A 43 0.858 6.017 2.300 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.592 5.900 2.830 1.00 0.00 C ATOM 596 CD1 ILE A 43 0.943 4.591 1.800 1.00 0.00 C ATOM 0 H ILE A 43 1.776 7.234 4.517 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.287 8.353 3.039 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.001 5.558 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.650 6.676 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.828 6.310 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.605 4.871 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.333 6.017 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.830 6.575 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.722 4.517 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.182 3.928 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.014 4.300 1.367 1.00 0.00 H new ATOM 608 N GLY A 44 -1.113 7.479 6.119 1.00 0.00 N ATOM 609 CA GLY A 44 -2.140 7.645 7.131 1.00 0.00 C ATOM 610 C GLY A 44 -2.622 9.077 7.215 1.00 0.00 C ATOM 611 O GLY A 44 -3.825 9.337 7.237 1.00 0.00 O ATOM 0 H GLY A 44 -0.256 7.031 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.982 6.991 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.748 7.336 8.100 1.00 0.00 H new ATOM 615 N LEU A 45 -1.677 10.010 7.247 1.00 0.00 N ATOM 616 CA LEU A 45 -2.004 11.428 7.311 1.00 0.00 C ATOM 617 C LEU A 45 -2.668 11.878 6.009 1.00 0.00 C ATOM 618 O LEU A 45 -3.600 12.684 6.019 1.00 0.00 O ATOM 619 CB LEU A 45 -0.732 12.246 7.585 1.00 0.00 C ATOM 620 CG LEU A 45 -0.938 13.743 7.854 1.00 0.00 C ATOM 621 CD1 LEU A 45 0.292 14.328 8.530 1.00 0.00 C ATOM 622 CD2 LEU A 45 -1.228 14.496 6.562 1.00 0.00 C ATOM 0 H LEU A 45 -0.677 9.809 7.230 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.707 11.595 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.222 11.810 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.065 12.140 6.730 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.798 13.853 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.134 15.390 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.465 13.816 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.159 14.198 7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.370 15.554 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.390 14.377 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.132 14.096 6.103 1.00 0.00 H new ATOM 634 N LEU A 46 -2.175 11.352 4.890 1.00 0.00 N ATOM 635 CA LEU A 46 -2.703 11.694 3.570 1.00 0.00 C ATOM 636 C LEU A 46 -4.182 11.332 3.432 1.00 0.00 C ATOM 637 O LEU A 46 -4.945 12.065 2.801 1.00 0.00 O ATOM 638 CB LEU A 46 -1.897 10.991 2.476 1.00 0.00 C ATOM 639 CG LEU A 46 -0.432 11.420 2.365 1.00 0.00 C ATOM 640 CD1 LEU A 46 0.288 10.584 1.318 1.00 0.00 C ATOM 641 CD2 LEU A 46 -0.336 12.900 2.020 1.00 0.00 C ATOM 0 H LEU A 46 -1.405 10.683 4.871 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.611 12.774 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.931 9.917 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.384 11.169 1.517 1.00 0.00 H new ATOM 0 HG LEU A 46 0.050 11.257 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.329 10.902 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.247 9.532 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.195 10.718 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.712 13.189 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.832 13.084 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.819 13.488 2.801 1.00 0.00 H new ATOM 653 N LEU A 47 -4.578 10.197 4.006 1.00 0.00 N ATOM 654 CA LEU A 47 -5.966 9.740 3.924 1.00 0.00 C ATOM 655 C LEU A 47 -6.938 10.863 4.283 1.00 0.00 C ATOM 656 O LEU A 47 -7.923 11.095 3.581 1.00 0.00 O ATOM 657 CB LEU A 47 -6.199 8.553 4.860 1.00 0.00 C ATOM 658 CG LEU A 47 -5.245 7.372 4.672 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.651 6.216 5.573 1.00 0.00 C ATOM 660 CD2 LEU A 47 -5.214 6.933 3.216 1.00 0.00 C ATOM 0 H LEU A 47 -3.960 9.578 4.531 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.148 9.431 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.119 8.903 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.221 8.199 4.722 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.241 7.691 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.963 5.383 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.618 6.537 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.663 5.898 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.530 6.092 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.214 6.631 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.876 7.761 2.593 1.00 0.00 H new ATOM 672 N LYS A 48 -6.655 11.547 5.386 1.00 0.00 N ATOM 673 CA LYS A 48 -7.500 12.641 5.853 1.00 0.00 C ATOM 674 C LYS A 48 -7.415 13.848 4.924 1.00 0.00 C ATOM 675 O LYS A 48 -8.418 14.516 4.667 1.00 0.00 O ATOM 676 CB LYS A 48 -7.100 13.051 7.271 1.00 0.00 C ATOM 677 CG LYS A 48 -7.140 11.905 8.270 1.00 0.00 C ATOM 678 CD LYS A 48 -6.739 12.367 9.662 1.00 0.00 C ATOM 679 CE LYS A 48 -6.705 11.209 10.646 1.00 0.00 C ATOM 680 NZ LYS A 48 -5.721 10.166 10.242 1.00 0.00 N ATOM 0 H LYS A 48 -5.844 11.362 5.976 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.530 12.285 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.093 13.468 7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.766 13.843 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.144 11.482 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.470 11.111 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.758 12.840 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.442 13.123 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.451 11.583 11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.697 10.764 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.514 9.551 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.118 9.596 9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.843 10.622 9.921 1.00 0.00 H new ATOM 694 N GLU A 49 -6.211 14.130 4.434 1.00 0.00 N ATOM 695 CA GLU A 49 -5.992 15.267 3.544 1.00 0.00 C ATOM 696 C GLU A 49 -6.936 15.221 2.346 1.00 0.00 C ATOM 697 O GLU A 49 -7.610 16.204 2.039 1.00 0.00 O ATOM 698 CB GLU A 49 -4.540 15.291 3.060 1.00 0.00 C ATOM 699 CG GLU A 49 -4.220 16.470 2.156 1.00 0.00 C ATOM 700 CD GLU A 49 -2.779 16.470 1.686 1.00 0.00 C ATOM 701 OE1 GLU A 49 -2.370 15.494 1.021 1.00 0.00 O ATOM 702 OE2 GLU A 49 -2.058 17.447 1.982 1.00 0.00 O ATOM 0 H GLU A 49 -5.372 13.587 4.638 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.198 16.177 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.878 15.317 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.329 14.365 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.881 16.449 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.424 17.398 2.690 1.00 0.00 H new ATOM 709 N ASN A 50 -6.980 14.075 1.675 1.00 0.00 N ATOM 710 CA ASN A 50 -7.845 13.909 0.512 1.00 0.00 C ATOM 711 C ASN A 50 -9.315 13.955 0.924 1.00 0.00 C ATOM 712 O ASN A 50 -9.747 13.203 1.798 1.00 0.00 O ATOM 713 CB ASN A 50 -7.537 12.582 -0.189 1.00 0.00 C ATOM 714 CG ASN A 50 -8.300 12.401 -1.491 1.00 0.00 C ATOM 715 OD1 ASN A 50 -8.241 11.340 -2.112 1.00 0.00 O ATOM 716 ND2 ASN A 50 -9.009 13.440 -1.924 1.00 0.00 N ATOM 0 H ASN A 50 -6.430 13.250 1.915 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.654 14.729 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.467 12.525 -0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.778 11.759 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.529 13.374 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.033 14.303 -1.381 1.00 0.00 H new ATOM 723 N ASP A 51 -10.077 14.842 0.287 1.00 0.00 N ATOM 724 CA ASP A 51 -11.498 14.990 0.584 1.00 0.00 C ATOM 725 C ASP A 51 -12.134 16.025 -0.339 1.00 0.00 C ATOM 726 O ASP A 51 -11.639 17.146 -0.464 1.00 0.00 O ATOM 727 CB ASP A 51 -11.698 15.404 2.046 1.00 0.00 C ATOM 728 CG ASP A 51 -13.160 15.469 2.448 1.00 0.00 C ATOM 729 OD1 ASP A 51 -14.026 15.151 1.606 1.00 0.00 O ATOM 730 OD2 ASP A 51 -13.439 15.834 3.610 1.00 0.00 O ATOM 0 H ASP A 51 -9.732 15.470 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.982 14.028 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.180 14.696 2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.238 16.379 2.208 1.00 0.00 H new ATOM 735 N ASP A 52 -13.235 15.645 -0.980 1.00 0.00 N ATOM 736 CA ASP A 52 -13.942 16.543 -1.886 1.00 0.00 C ATOM 737 C ASP A 52 -14.881 17.465 -1.114 1.00 0.00 C ATOM 738 O ASP A 52 -16.013 17.708 -1.535 1.00 0.00 O ATOM 739 CB ASP A 52 -14.730 15.738 -2.922 1.00 0.00 C ATOM 740 CG ASP A 52 -13.839 14.852 -3.771 1.00 0.00 C ATOM 741 OD1 ASP A 52 -13.157 13.975 -3.199 1.00 0.00 O ATOM 742 OD2 ASP A 52 -13.822 15.035 -5.006 1.00 0.00 O ATOM 0 H ASP A 52 -13.657 14.721 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.204 17.158 -2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.470 15.121 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.278 16.423 -3.569 1.00 0.00 H new ATOM 747 N LYS A 53 -14.404 17.972 0.021 1.00 0.00 N ATOM 748 CA LYS A 53 -15.197 18.865 0.859 1.00 0.00 C ATOM 749 C LYS A 53 -16.511 18.189 1.269 1.00 0.00 C ATOM 750 O LYS A 53 -16.495 17.134 1.902 1.00 0.00 O ATOM 751 CB LYS A 53 -15.465 20.188 0.131 1.00 0.00 C ATOM 752 CG LYS A 53 -16.048 21.272 1.028 1.00 0.00 C ATOM 753 CD LYS A 53 -16.367 22.539 0.249 1.00 0.00 C ATOM 754 CE LYS A 53 -15.117 23.164 -0.349 1.00 0.00 C ATOM 755 NZ LYS A 53 -15.431 24.401 -1.116 1.00 0.00 N ATOM 0 H LYS A 53 -13.470 17.778 0.381 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.632 19.085 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.532 20.550 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.151 20.005 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.955 20.900 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.341 21.503 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.074 22.308 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.853 23.258 0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.411 23.399 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.628 22.444 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.554 24.798 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.085 24.172 -1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.874 25.098 -0.484 1.00 0.00 H new ATOM 769 N SER A 54 -17.644 18.795 0.909 1.00 0.00 N ATOM 770 CA SER A 54 -18.951 18.241 1.246 1.00 0.00 C ATOM 771 C SER A 54 -20.038 18.841 0.361 1.00 0.00 C ATOM 772 O SER A 54 -19.800 19.920 -0.221 1.00 0.00 O ATOM 773 CB SER A 54 -19.281 18.508 2.718 1.00 0.00 C ATOM 774 OG SER A 54 -18.345 17.879 3.576 1.00 0.00 O ATOM 775 OXT SER A 54 -21.121 18.225 0.254 1.00 0.00 O ATOM 0 H SER A 54 -17.680 19.669 0.384 1.00 0.00 H new ATOM 0 HA SER A 54 -18.914 17.165 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.284 19.582 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.284 18.144 2.940 1.00 0.00 H new ATOM 0 HG SER A 54 -17.811 17.237 3.063 1.00 0.00 H new TER 781 SER A 54 ATOM 782 N MET B 1 -17.229 -10.532 -10.446 1.00 0.00 N ATOM 783 CA MET B 1 -16.573 -9.202 -10.351 1.00 0.00 C ATOM 784 C MET B 1 -15.348 -9.253 -9.441 1.00 0.00 C ATOM 785 O MET B 1 -15.419 -8.909 -8.260 1.00 0.00 O ATOM 786 CB MET B 1 -17.592 -8.191 -9.820 1.00 0.00 C ATOM 787 CG MET B 1 -17.050 -6.776 -9.713 1.00 0.00 C ATOM 788 SD MET B 1 -18.276 -5.607 -9.097 1.00 0.00 S ATOM 789 CE MET B 1 -17.318 -4.095 -9.067 1.00 0.00 C ATOM 0 H1 MET B 1 -18.058 -10.466 -11.071 1.00 0.00 H new ATOM 0 H2 MET B 1 -16.557 -11.224 -10.834 1.00 0.00 H new ATOM 0 H3 MET B 1 -17.532 -10.838 -9.499 1.00 0.00 H new ATOM 0 HA MET B 1 -16.230 -8.900 -11.341 1.00 0.00 H new ATOM 0 HB2 MET B 1 -18.463 -8.188 -10.475 1.00 0.00 H new ATOM 0 HB3 MET B 1 -17.934 -8.515 -8.837 1.00 0.00 H new ATOM 0 HG2 MET B 1 -16.185 -6.772 -9.050 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.702 -6.449 -10.693 1.00 0.00 H new ATOM 0 HE1 MET B 1 -17.878 -3.320 -8.544 1.00 0.00 H new ATOM 0 HE2 MET B 1 -16.375 -4.272 -8.550 1.00 0.00 H new ATOM 0 HE3 MET B 1 -17.117 -3.771 -10.088 1.00 0.00 H new ATOM 801 N GLN B 2 -14.226 -9.694 -10.003 1.00 0.00 N ATOM 802 CA GLN B 2 -12.976 -9.800 -9.257 1.00 0.00 C ATOM 803 C GLN B 2 -12.418 -8.422 -8.915 1.00 0.00 C ATOM 804 O GLN B 2 -12.737 -7.431 -9.571 1.00 0.00 O ATOM 805 CB GLN B 2 -11.946 -10.588 -10.067 1.00 0.00 C ATOM 806 CG GLN B 2 -12.405 -11.986 -10.445 1.00 0.00 C ATOM 807 CD GLN B 2 -11.365 -12.762 -11.237 1.00 0.00 C ATOM 808 OE1 GLN B 2 -11.601 -13.902 -11.637 1.00 0.00 O ATOM 809 NE2 GLN B 2 -10.206 -12.151 -11.468 1.00 0.00 N ATOM 0 H GLN B 2 -14.157 -9.985 -10.978 1.00 0.00 H new ATOM 0 HA GLN B 2 -13.185 -10.326 -8.325 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -11.711 -10.034 -10.976 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.023 -10.662 -9.491 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.649 -12.539 -9.538 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -13.321 -11.915 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -10.050 -11.205 -11.119 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -9.474 -12.628 -11.994 1.00 0.00 H new ATOM 818 N ILE B 3 -11.573 -8.372 -7.888 1.00 0.00 N ATOM 819 CA ILE B 3 -10.952 -7.124 -7.454 1.00 0.00 C ATOM 820 C ILE B 3 -9.562 -7.387 -6.886 1.00 0.00 C ATOM 821 O ILE B 3 -9.381 -8.264 -6.041 1.00 0.00 O ATOM 822 CB ILE B 3 -11.801 -6.400 -6.388 1.00 0.00 C ATOM 823 CG1 ILE B 3 -12.094 -7.338 -5.213 1.00 0.00 C ATOM 824 CG2 ILE B 3 -13.092 -5.876 -6.998 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.841 -6.676 -4.075 1.00 0.00 C ATOM 0 H ILE B 3 -11.302 -9.187 -7.338 1.00 0.00 H new ATOM 0 HA ILE B 3 -10.879 -6.484 -8.333 1.00 0.00 H new ATOM 0 HB ILE B 3 -11.235 -5.548 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -12.677 -8.186 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -11.153 -7.736 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -13.677 -5.369 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -12.858 -5.175 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -13.668 -6.709 -7.402 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -13.012 -7.403 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -12.251 -5.846 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -13.799 -6.302 -4.437 1.00 0.00 H new ATOM 837 N PHE B 4 -8.578 -6.628 -7.361 1.00 0.00 N ATOM 838 CA PHE B 4 -7.203 -6.789 -6.903 1.00 0.00 C ATOM 839 C PHE B 4 -6.995 -6.161 -5.529 1.00 0.00 C ATOM 840 O PHE B 4 -7.542 -5.101 -5.228 1.00 0.00 O ATOM 841 CB PHE B 4 -6.221 -6.181 -7.910 1.00 0.00 C ATOM 842 CG PHE B 4 -6.162 -6.919 -9.220 1.00 0.00 C ATOM 843 CD1 PHE B 4 -7.307 -7.130 -9.972 1.00 0.00 C ATOM 844 CD2 PHE B 4 -4.954 -7.406 -9.696 1.00 0.00 C ATOM 845 CE1 PHE B 4 -7.250 -7.811 -11.173 1.00 0.00 C ATOM 846 CE2 PHE B 4 -4.891 -8.088 -10.897 1.00 0.00 C ATOM 847 CZ PHE B 4 -6.041 -8.291 -11.636 1.00 0.00 C ATOM 0 H PHE B 4 -8.708 -5.898 -8.061 1.00 0.00 H new ATOM 0 HA PHE B 4 -7.010 -7.859 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -6.503 -5.145 -8.099 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -5.225 -6.164 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.256 -6.757 -9.615 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.052 -7.251 -9.122 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.150 -7.968 -11.749 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -3.944 -8.462 -11.257 1.00 0.00 H new ATOM 0 HZ PHE B 4 -5.994 -8.824 -12.574 1.00 0.00 H new ATOM 857 N VAL B 5 -6.190 -6.825 -4.708 1.00 0.00 N ATOM 858 CA VAL B 5 -5.886 -6.346 -3.367 1.00 0.00 C ATOM 859 C VAL B 5 -4.377 -6.343 -3.144 1.00 0.00 C ATOM 860 O VAL B 5 -3.822 -7.270 -2.551 1.00 0.00 O ATOM 861 CB VAL B 5 -6.565 -7.214 -2.287 1.00 0.00 C ATOM 862 CG1 VAL B 5 -6.285 -6.662 -0.897 1.00 0.00 C ATOM 863 CG2 VAL B 5 -8.063 -7.303 -2.540 1.00 0.00 C ATOM 0 H VAL B 5 -5.733 -7.704 -4.951 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.274 -5.331 -3.282 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.147 -8.219 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.773 -7.289 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.210 -6.655 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.671 -5.645 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.526 -7.919 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.496 -6.303 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.241 -7.751 -3.518 1.00 0.00 H new ATOM 873 N LYS B 6 -3.718 -5.303 -3.645 1.00 0.00 N ATOM 874 CA LYS B 6 -2.269 -5.182 -3.524 1.00 0.00 C ATOM 875 C LYS B 6 -1.860 -4.736 -2.125 1.00 0.00 C ATOM 876 O LYS B 6 -2.442 -3.812 -1.563 1.00 0.00 O ATOM 877 CB LYS B 6 -1.729 -4.193 -4.559 1.00 0.00 C ATOM 878 CG LYS B 6 -0.228 -3.973 -4.463 1.00 0.00 C ATOM 879 CD LYS B 6 0.262 -2.979 -5.503 1.00 0.00 C ATOM 880 CE LYS B 6 1.756 -2.730 -5.369 1.00 0.00 C ATOM 881 NZ LYS B 6 2.547 -3.976 -5.563 1.00 0.00 N ATOM 0 H LYS B 6 -4.165 -4.531 -4.139 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.841 -6.168 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -1.972 -4.556 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.237 -3.237 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.024 -3.611 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.288 -4.924 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.042 -3.356 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.277 -2.038 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.067 -1.985 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.968 -2.315 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.551 -3.734 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.436 -4.591 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.207 -4.475 -6.410 1.00 0.00 H new ATOM 895 N THR B 7 -0.841 -5.389 -1.578 1.00 0.00 N ATOM 896 CA THR B 7 -0.337 -5.048 -0.256 1.00 0.00 C ATOM 897 C THR B 7 0.932 -4.212 -0.372 1.00 0.00 C ATOM 898 O THR B 7 1.801 -4.506 -1.194 1.00 0.00 O ATOM 899 CB THR B 7 -0.039 -6.308 0.581 1.00 0.00 C ATOM 900 OG1 THR B 7 0.957 -7.105 -0.068 1.00 0.00 O ATOM 901 CG2 THR B 7 -1.301 -7.135 0.784 1.00 0.00 C ATOM 0 H THR B 7 -0.348 -6.158 -2.032 1.00 0.00 H new ATOM 0 HA THR B 7 -1.114 -4.473 0.249 1.00 0.00 H new ATOM 0 HB THR B 7 0.330 -5.989 1.556 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.722 -7.225 0.532 1.00 0.00 H new ATOM 0 HG21 THR B 7 -1.065 -8.019 1.377 1.00 0.00 H new ATOM 0 HG22 THR B 7 -2.048 -6.537 1.305 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.694 -7.443 -0.185 1.00 0.00 H new ATOM 909 N LEU B 8 1.037 -3.169 0.449 1.00 0.00 N ATOM 910 CA LEU B 8 2.208 -2.297 0.427 1.00 0.00 C ATOM 911 C LEU B 8 3.494 -3.106 0.544 1.00 0.00 C ATOM 912 O LEU B 8 4.515 -2.754 -0.050 1.00 0.00 O ATOM 913 CB LEU B 8 2.134 -1.256 1.547 1.00 0.00 C ATOM 914 CG LEU B 8 1.208 -0.066 1.277 1.00 0.00 C ATOM 915 CD1 LEU B 8 -0.237 -0.520 1.123 1.00 0.00 C ATOM 916 CD2 LEU B 8 1.331 0.965 2.389 1.00 0.00 C ATOM 0 H LEU B 8 0.328 -2.908 1.135 1.00 0.00 H new ATOM 0 HA LEU B 8 2.215 -1.776 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.804 -1.752 2.460 1.00 0.00 H new ATOM 0 HB3 LEU B 8 3.139 -0.878 1.735 1.00 0.00 H new ATOM 0 HG LEU B 8 1.515 0.396 0.339 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -0.872 0.345 0.932 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -0.312 -1.217 0.288 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.563 -1.014 2.038 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.667 1.804 2.182 1.00 0.00 H new ATOM 0 HD22 LEU B 8 1.055 0.509 3.340 1.00 0.00 H new ATOM 0 HD23 LEU B 8 2.360 1.321 2.443 1.00 0.00 H new ATOM 928 N THR B 9 3.438 -4.192 1.307 1.00 0.00 N ATOM 929 CA THR B 9 4.598 -5.053 1.493 1.00 0.00 C ATOM 930 C THR B 9 5.093 -5.595 0.155 1.00 0.00 C ATOM 931 O THR B 9 6.266 -5.448 -0.187 1.00 0.00 O ATOM 932 CB THR B 9 4.273 -6.234 2.426 1.00 0.00 C ATOM 933 OG1 THR B 9 3.203 -7.014 1.877 1.00 0.00 O ATOM 934 CG2 THR B 9 3.883 -5.737 3.811 1.00 0.00 C ATOM 0 H THR B 9 2.602 -4.496 1.806 1.00 0.00 H new ATOM 0 HA THR B 9 5.380 -4.445 1.949 1.00 0.00 H new ATOM 0 HB THR B 9 5.165 -6.853 2.515 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.004 -7.764 2.476 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.658 -6.589 4.453 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.708 -5.168 4.239 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.003 -5.098 3.734 1.00 0.00 H new ATOM 942 N GLY B 10 4.190 -6.214 -0.600 1.00 0.00 N ATOM 943 CA GLY B 10 4.556 -6.760 -1.895 1.00 0.00 C ATOM 944 C GLY B 10 3.809 -8.038 -2.227 1.00 0.00 C ATOM 945 O GLY B 10 4.426 -9.074 -2.478 1.00 0.00 O ATOM 0 H GLY B 10 3.213 -6.347 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY B 10 4.356 -6.017 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY B 10 5.628 -6.957 -1.911 1.00 0.00 H new ATOM 949 N LYS B 11 2.480 -7.970 -2.229 1.00 0.00 N ATOM 950 CA LYS B 11 1.657 -9.138 -2.532 1.00 0.00 C ATOM 951 C LYS B 11 0.245 -8.728 -2.937 1.00 0.00 C ATOM 952 O LYS B 11 -0.459 -8.055 -2.185 1.00 0.00 O ATOM 953 CB LYS B 11 1.593 -10.067 -1.318 1.00 0.00 C ATOM 954 CG LYS B 11 0.735 -11.303 -1.541 1.00 0.00 C ATOM 955 CD LYS B 11 0.551 -12.090 -0.254 1.00 0.00 C ATOM 956 CE LYS B 11 -0.299 -13.331 -0.477 1.00 0.00 C ATOM 957 NZ LYS B 11 -0.520 -14.088 0.787 1.00 0.00 N ATOM 0 H LYS B 11 1.951 -7.122 -2.025 1.00 0.00 H new ATOM 0 HA LYS B 11 2.117 -9.663 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.604 -10.379 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS B 11 1.201 -9.511 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -0.239 -11.006 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.199 -11.939 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.525 -12.381 0.139 1.00 0.00 H new ATOM 0 HD3 LYS B 11 0.081 -11.456 0.498 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -1.261 -13.041 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.188 -13.978 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -1.104 -14.926 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 0.396 -14.387 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -1.007 -13.480 1.475 1.00 0.00 H new ATOM 971 N THR B 12 -0.167 -9.150 -4.129 1.00 0.00 N ATOM 972 CA THR B 12 -1.498 -8.841 -4.637 1.00 0.00 C ATOM 973 C THR B 12 -2.418 -10.050 -4.514 1.00 0.00 C ATOM 974 O THR B 12 -2.006 -11.181 -4.777 1.00 0.00 O ATOM 975 CB THR B 12 -1.448 -8.392 -6.111 1.00 0.00 C ATOM 976 OG1 THR B 12 -0.600 -7.246 -6.245 1.00 0.00 O ATOM 977 CG2 THR B 12 -2.842 -8.058 -6.625 1.00 0.00 C ATOM 0 H THR B 12 0.405 -9.709 -4.762 1.00 0.00 H new ATOM 0 HA THR B 12 -1.890 -8.023 -4.033 1.00 0.00 H new ATOM 0 HB THR B 12 -1.047 -9.214 -6.704 1.00 0.00 H new ATOM 0 HG1 THR B 12 -0.572 -6.968 -7.184 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.780 -7.744 -7.667 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.479 -8.939 -6.549 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.266 -7.251 -6.028 1.00 0.00 H new ATOM 985 N ILE B 13 -3.663 -9.812 -4.111 1.00 0.00 N ATOM 986 CA ILE B 13 -4.630 -10.894 -3.955 1.00 0.00 C ATOM 987 C ILE B 13 -5.955 -10.552 -4.631 1.00 0.00 C ATOM 988 O ILE B 13 -6.549 -9.507 -4.366 1.00 0.00 O ATOM 989 CB ILE B 13 -4.887 -11.199 -2.466 1.00 0.00 C ATOM 990 CG1 ILE B 13 -3.565 -11.476 -1.748 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.833 -12.383 -2.325 1.00 0.00 C ATOM 992 CD1 ILE B 13 -3.718 -11.712 -0.260 1.00 0.00 C ATOM 0 H ILE B 13 -4.025 -8.885 -3.888 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.202 -11.775 -4.433 1.00 0.00 H new ATOM 0 HB ILE B 13 -5.355 -10.329 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.093 -12.349 -2.199 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.892 -10.633 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -6.005 -12.587 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.781 -12.151 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -5.390 -13.260 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -2.739 -11.902 0.181 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -4.161 -10.831 0.205 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -4.364 -12.574 -0.093 1.00 0.00 H new ATOM 1004 N THR B 14 -6.410 -11.443 -5.509 1.00 0.00 N ATOM 1005 CA THR B 14 -7.662 -11.242 -6.232 1.00 0.00 C ATOM 1006 C THR B 14 -8.833 -11.911 -5.518 1.00 0.00 C ATOM 1007 O THR B 14 -8.738 -13.064 -5.095 1.00 0.00 O ATOM 1008 CB THR B 14 -7.569 -11.791 -7.668 1.00 0.00 C ATOM 1009 OG1 THR B 14 -6.493 -11.154 -8.367 1.00 0.00 O ATOM 1010 CG2 THR B 14 -8.870 -11.565 -8.424 1.00 0.00 C ATOM 0 H THR B 14 -5.929 -12.313 -5.737 1.00 0.00 H new ATOM 0 HA THR B 14 -7.836 -10.167 -6.268 1.00 0.00 H new ATOM 0 HB THR B 14 -7.383 -12.863 -7.609 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.439 -11.510 -9.279 1.00 0.00 H new ATOM 0 HG21 THR B 14 -8.777 -11.962 -9.435 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.684 -12.074 -7.908 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.082 -10.497 -8.472 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.940 -11.182 -5.391 1.00 0.00 N ATOM 1019 CA LEU B 15 -11.136 -11.704 -4.737 1.00 0.00 C ATOM 1020 C LEU B 15 -12.382 -11.389 -5.551 1.00 0.00 C ATOM 1021 O LEU B 15 -12.499 -10.314 -6.140 1.00 0.00 O ATOM 1022 CB LEU B 15 -11.307 -11.123 -3.330 1.00 0.00 C ATOM 1023 CG LEU B 15 -10.286 -11.575 -2.281 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -10.224 -13.092 -2.209 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -8.912 -10.993 -2.568 1.00 0.00 C ATOM 0 H LEU B 15 -10.033 -10.226 -5.734 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.009 -12.784 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -11.266 -10.036 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -12.303 -11.382 -2.972 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.613 -11.199 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.493 -13.391 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -11.204 -13.484 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.930 -13.491 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.208 -11.331 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.574 -11.326 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.968 -9.905 -2.553 1.00 0.00 H new ATOM 1037 N GLU B 16 -13.314 -12.329 -5.569 1.00 0.00 N ATOM 1038 CA GLU B 16 -14.563 -12.156 -6.300 1.00 0.00 C ATOM 1039 C GLU B 16 -15.655 -11.624 -5.376 1.00 0.00 C ATOM 1040 O GLU B 16 -15.885 -12.169 -4.297 1.00 0.00 O ATOM 1041 CB GLU B 16 -15.007 -13.479 -6.927 1.00 0.00 C ATOM 1042 CG GLU B 16 -16.294 -13.369 -7.728 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.707 -14.687 -8.356 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -15.925 -15.229 -9.166 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -17.811 -15.176 -8.039 1.00 0.00 O ATOM 0 H GLU B 16 -13.230 -13.223 -5.085 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.393 -11.431 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -14.214 -13.848 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -15.142 -14.219 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -17.093 -13.015 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -16.167 -12.622 -8.511 1.00 0.00 H new ATOM 1052 N VAL B 17 -16.327 -10.560 -5.809 1.00 0.00 N ATOM 1053 CA VAL B 17 -17.397 -9.957 -5.022 1.00 0.00 C ATOM 1054 C VAL B 17 -18.450 -9.328 -5.925 1.00 0.00 C ATOM 1055 O VAL B 17 -18.125 -8.663 -6.907 1.00 0.00 O ATOM 1056 CB VAL B 17 -16.863 -8.878 -4.055 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -15.993 -9.501 -2.975 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -16.093 -7.810 -4.815 1.00 0.00 C ATOM 0 H VAL B 17 -16.149 -10.098 -6.701 1.00 0.00 H new ATOM 0 HA VAL B 17 -17.844 -10.762 -4.439 1.00 0.00 H new ATOM 0 HB VAL B 17 -17.717 -8.405 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -15.629 -8.721 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -16.580 -10.222 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -15.146 -10.007 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -15.725 -7.059 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -15.250 -8.268 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -16.751 -7.336 -5.543 1.00 0.00 H new ATOM 1068 N GLU B 18 -19.716 -9.544 -5.585 1.00 0.00 N ATOM 1069 CA GLU B 18 -20.821 -8.999 -6.364 1.00 0.00 C ATOM 1070 C GLU B 18 -20.844 -7.478 -6.275 1.00 0.00 C ATOM 1071 O GLU B 18 -20.413 -6.901 -5.278 1.00 0.00 O ATOM 1072 CB GLU B 18 -22.154 -9.572 -5.875 1.00 0.00 C ATOM 1073 CG GLU B 18 -23.353 -9.092 -6.677 1.00 0.00 C ATOM 1074 CD GLU B 18 -24.661 -9.675 -6.177 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -24.795 -10.916 -6.174 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -25.553 -8.890 -5.792 1.00 0.00 O ATOM 0 H GLU B 18 -20.002 -10.093 -4.774 1.00 0.00 H new ATOM 0 HA GLU B 18 -20.675 -9.285 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -22.110 -10.660 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -22.295 -9.300 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -23.404 -8.004 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -23.216 -9.361 -7.724 1.00 0.00 H new ATOM 1083 N SER B 19 -21.345 -6.833 -7.323 1.00 0.00 N ATOM 1084 CA SER B 19 -21.421 -5.378 -7.355 1.00 0.00 C ATOM 1085 C SER B 19 -22.158 -4.847 -6.129 1.00 0.00 C ATOM 1086 O SER B 19 -21.772 -3.828 -5.555 1.00 0.00 O ATOM 1087 CB SER B 19 -22.125 -4.910 -8.629 1.00 0.00 C ATOM 1088 OG SER B 19 -23.435 -5.443 -8.715 1.00 0.00 O ATOM 0 H SER B 19 -21.704 -7.294 -8.159 1.00 0.00 H new ATOM 0 HA SER B 19 -20.404 -4.985 -7.346 1.00 0.00 H new ATOM 0 HB2 SER B 19 -22.171 -3.821 -8.643 1.00 0.00 H new ATOM 0 HB3 SER B 19 -21.547 -5.216 -9.501 1.00 0.00 H new ATOM 0 HG SER B 19 -23.863 -5.127 -9.538 1.00 0.00 H new ATOM 1094 N SER B 20 -23.221 -5.543 -5.733 1.00 0.00 N ATOM 1095 CA SER B 20 -24.011 -5.138 -4.576 1.00 0.00 C ATOM 1096 C SER B 20 -23.494 -5.786 -3.291 1.00 0.00 C ATOM 1097 O SER B 20 -24.266 -6.080 -2.378 1.00 0.00 O ATOM 1098 CB SER B 20 -25.483 -5.500 -4.792 1.00 0.00 C ATOM 1099 OG SER B 20 -26.280 -5.079 -3.698 1.00 0.00 O ATOM 0 H SER B 20 -23.554 -6.389 -6.196 1.00 0.00 H new ATOM 0 HA SER B 20 -23.917 -4.057 -4.468 1.00 0.00 H new ATOM 0 HB2 SER B 20 -25.844 -5.034 -5.709 1.00 0.00 H new ATOM 0 HB3 SER B 20 -25.580 -6.578 -4.922 1.00 0.00 H new ATOM 0 HG SER B 20 -25.818 -5.284 -2.859 1.00 0.00 H new ATOM 1105 N ASP B 21 -22.181 -5.996 -3.220 1.00 0.00 N ATOM 1106 CA ASP B 21 -21.567 -6.598 -2.038 1.00 0.00 C ATOM 1107 C ASP B 21 -21.315 -5.521 -0.980 1.00 0.00 C ATOM 1108 O ASP B 21 -22.134 -4.618 -0.809 1.00 0.00 O ATOM 1109 CB ASP B 21 -20.259 -7.296 -2.429 1.00 0.00 C ATOM 1110 CG ASP B 21 -19.747 -8.237 -1.357 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -20.502 -9.149 -0.957 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -18.588 -8.069 -0.924 1.00 0.00 O ATOM 0 H ASP B 21 -21.524 -5.759 -3.964 1.00 0.00 H new ATOM 0 HA ASP B 21 -22.242 -7.344 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -20.414 -7.855 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -19.499 -6.542 -2.636 1.00 0.00 H new ATOM 1117 N THR B 22 -20.185 -5.605 -0.281 1.00 0.00 N ATOM 1118 CA THR B 22 -19.853 -4.615 0.739 1.00 0.00 C ATOM 1119 C THR B 22 -18.391 -4.722 1.149 1.00 0.00 C ATOM 1120 O THR B 22 -17.824 -5.815 1.193 1.00 0.00 O ATOM 1121 CB THR B 22 -20.744 -4.753 1.988 1.00 0.00 C ATOM 1122 OG1 THR B 22 -20.373 -3.774 2.965 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.627 -6.141 2.592 1.00 0.00 C ATOM 0 H THR B 22 -19.490 -6.342 -0.401 1.00 0.00 H new ATOM 0 HA THR B 22 -20.034 -3.637 0.294 1.00 0.00 H new ATOM 0 HB THR B 22 -21.778 -4.594 1.683 1.00 0.00 H new ATOM 0 HG1 THR B 22 -20.945 -3.867 3.755 1.00 0.00 H new ATOM 0 HG21 THR B 22 -21.266 -6.210 3.472 1.00 0.00 H new ATOM 0 HG22 THR B 22 -20.938 -6.885 1.858 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.592 -6.326 2.880 1.00 0.00 H new ATOM 1131 N ILE B 23 -17.783 -3.574 1.434 1.00 0.00 N ATOM 1132 CA ILE B 23 -16.381 -3.521 1.831 1.00 0.00 C ATOM 1133 C ILE B 23 -16.093 -4.498 2.966 1.00 0.00 C ATOM 1134 O ILE B 23 -15.054 -5.159 2.977 1.00 0.00 O ATOM 1135 CB ILE B 23 -15.972 -2.100 2.273 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -16.286 -1.075 1.175 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -14.493 -2.060 2.633 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -15.607 -1.359 -0.148 1.00 0.00 C ATOM 0 H ILE B 23 -18.243 -2.664 1.397 1.00 0.00 H new ATOM 0 HA ILE B 23 -15.795 -3.802 0.956 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.552 -1.838 3.158 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -17.364 -1.045 1.019 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -15.986 -0.085 1.520 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -14.221 -1.051 2.942 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -14.298 -2.755 3.450 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -13.899 -2.346 1.765 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -15.880 -0.589 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -14.526 -1.359 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -15.925 -2.333 -0.519 1.00 0.00 H new ATOM 1150 N ASP B 24 -17.020 -4.588 3.917 1.00 0.00 N ATOM 1151 CA ASP B 24 -16.864 -5.492 5.053 1.00 0.00 C ATOM 1152 C ASP B 24 -16.645 -6.922 4.566 1.00 0.00 C ATOM 1153 O ASP B 24 -15.777 -7.635 5.069 1.00 0.00 O ATOM 1154 CB ASP B 24 -18.094 -5.425 5.960 1.00 0.00 C ATOM 1155 CG ASP B 24 -17.958 -6.297 7.194 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -17.834 -7.530 7.042 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -17.972 -5.745 8.315 1.00 0.00 O ATOM 0 H ASP B 24 -17.885 -4.047 3.923 1.00 0.00 H new ATOM 0 HA ASP B 24 -15.991 -5.180 5.626 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -18.259 -4.392 6.266 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -18.974 -5.735 5.396 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.432 -7.325 3.574 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.327 -8.662 3.000 1.00 0.00 C ATOM 1164 C ASN B 25 -15.928 -8.905 2.436 1.00 0.00 C ATOM 1165 O ASN B 25 -15.331 -9.960 2.664 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.383 -8.849 1.905 1.00 0.00 C ATOM 1167 CG ASN B 25 -19.771 -9.139 2.458 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -20.692 -9.451 1.703 1.00 0.00 O ATOM 1169 ND2 ASN B 25 -19.937 -9.023 3.772 1.00 0.00 N ATOM 0 H ASN B 25 -18.153 -6.742 3.149 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.504 -9.391 3.791 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -18.424 -7.950 1.290 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -18.080 -9.668 1.252 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -20.853 -9.195 4.188 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -19.149 -8.762 4.365 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.407 -7.922 1.709 1.00 0.00 N ATOM 1177 CA VAL B 26 -14.076 -8.030 1.126 1.00 0.00 C ATOM 1178 C VAL B 26 -13.030 -8.239 2.214 1.00 0.00 C ATOM 1179 O VAL B 26 -12.152 -9.095 2.090 1.00 0.00 O ATOM 1180 CB VAL B 26 -13.713 -6.776 0.306 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.359 -6.948 -0.366 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -14.793 -6.481 -0.723 1.00 0.00 C ATOM 0 H VAL B 26 -15.886 -7.044 1.510 1.00 0.00 H new ATOM 0 HA VAL B 26 -14.086 -8.891 0.458 1.00 0.00 H new ATOM 0 HB VAL B 26 -13.648 -5.927 0.986 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -12.121 -6.052 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -11.593 -7.106 0.393 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -12.391 -7.809 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -14.520 -5.593 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -14.892 -7.330 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -15.742 -6.309 -0.215 1.00 0.00 H new ATOM 1192 N LYS B 27 -13.135 -7.459 3.286 1.00 0.00 N ATOM 1193 CA LYS B 27 -12.203 -7.566 4.402 1.00 0.00 C ATOM 1194 C LYS B 27 -12.265 -8.954 5.024 1.00 0.00 C ATOM 1195 O LYS B 27 -11.238 -9.519 5.399 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.496 -6.501 5.459 1.00 0.00 C ATOM 1197 CG LYS B 27 -12.215 -5.087 4.982 1.00 0.00 C ATOM 1198 CD LYS B 27 -12.366 -4.074 6.103 1.00 0.00 C ATOM 1199 CE LYS B 27 -11.962 -2.682 5.646 1.00 0.00 C ATOM 1200 NZ LYS B 27 -12.054 -1.686 6.750 1.00 0.00 N ATOM 0 H LYS B 27 -13.856 -6.747 3.405 1.00 0.00 H new ATOM 0 HA LYS B 27 -11.197 -7.402 4.016 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.541 -6.575 5.759 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.895 -6.704 6.345 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -11.204 -5.034 4.578 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.897 -4.835 4.170 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.400 -4.060 6.447 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.751 -4.373 6.952 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -10.941 -2.707 5.264 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.603 -2.370 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.741 -0.948 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.364 -2.161 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -11.121 -1.253 6.905 1.00 0.00 H new ATOM 1214 N SER B 28 -13.472 -9.504 5.125 1.00 0.00 N ATOM 1215 CA SER B 28 -13.656 -10.833 5.695 1.00 0.00 C ATOM 1216 C SER B 28 -12.873 -11.862 4.888 1.00 0.00 C ATOM 1217 O SER B 28 -12.168 -12.704 5.449 1.00 0.00 O ATOM 1218 CB SER B 28 -15.139 -11.203 5.724 1.00 0.00 C ATOM 1219 OG SER B 28 -15.330 -12.502 6.258 1.00 0.00 O ATOM 0 H SER B 28 -14.334 -9.051 4.820 1.00 0.00 H new ATOM 0 HA SER B 28 -13.281 -10.827 6.719 1.00 0.00 H new ATOM 0 HB2 SER B 28 -15.687 -10.476 6.323 1.00 0.00 H new ATOM 0 HB3 SER B 28 -15.548 -11.157 4.715 1.00 0.00 H new ATOM 0 HG SER B 28 -16.287 -12.714 6.267 1.00 0.00 H new ATOM 1225 N LYS B 29 -12.993 -11.778 3.566 1.00 0.00 N ATOM 1226 CA LYS B 29 -12.290 -12.692 2.675 1.00 0.00 C ATOM 1227 C LYS B 29 -10.784 -12.601 2.899 1.00 0.00 C ATOM 1228 O LYS B 29 -10.103 -13.618 3.045 1.00 0.00 O ATOM 1229 CB LYS B 29 -12.627 -12.371 1.217 1.00 0.00 C ATOM 1230 CG LYS B 29 -14.104 -12.516 0.890 1.00 0.00 C ATOM 1231 CD LYS B 29 -14.395 -12.132 -0.551 1.00 0.00 C ATOM 1232 CE LYS B 29 -15.863 -12.330 -0.896 1.00 0.00 C ATOM 1233 NZ LYS B 29 -16.756 -11.537 -0.005 1.00 0.00 N ATOM 0 H LYS B 29 -13.571 -11.086 3.089 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.613 -13.709 2.896 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.312 -11.351 0.996 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.052 -13.030 0.566 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.417 -13.546 1.064 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.690 -11.887 1.561 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.120 -11.090 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.779 -12.733 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.034 -12.040 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.115 -13.387 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.717 -11.521 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.778 -11.971 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.397 -10.564 0.070 1.00 0.00 H new ATOM 1247 N ILE B 30 -10.274 -11.374 2.940 1.00 0.00 N ATOM 1248 CA ILE B 30 -8.852 -11.141 3.164 1.00 0.00 C ATOM 1249 C ILE B 30 -8.432 -11.672 4.530 1.00 0.00 C ATOM 1250 O ILE B 30 -7.330 -12.193 4.696 1.00 0.00 O ATOM 1251 CB ILE B 30 -8.507 -9.640 3.073 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -8.854 -9.098 1.683 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -7.034 -9.410 3.387 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -8.647 -7.604 1.545 1.00 0.00 C ATOM 0 H ILE B 30 -10.826 -10.524 2.821 1.00 0.00 H new ATOM 0 HA ILE B 30 -8.308 -11.672 2.383 1.00 0.00 H new ATOM 0 HB ILE B 30 -9.101 -9.102 3.812 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.244 -9.611 0.940 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.894 -9.334 1.459 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -6.809 -8.346 3.318 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -6.818 -9.762 4.396 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -6.420 -9.958 2.672 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -8.913 -7.292 0.535 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.278 -7.081 2.264 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.601 -7.362 1.736 1.00 0.00 H new ATOM 1266 N GLN B 31 -9.324 -11.531 5.505 1.00 0.00 N ATOM 1267 CA GLN B 31 -9.062 -11.991 6.862 1.00 0.00 C ATOM 1268 C GLN B 31 -8.808 -13.493 6.894 1.00 0.00 C ATOM 1269 O GLN B 31 -7.895 -13.962 7.568 1.00 0.00 O ATOM 1270 CB GLN B 31 -10.242 -11.644 7.772 1.00 0.00 C ATOM 1271 CG GLN B 31 -10.109 -12.199 9.181 1.00 0.00 C ATOM 1272 CD GLN B 31 -11.279 -11.821 10.070 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -12.426 -12.162 9.781 1.00 0.00 O ATOM 1274 NE2 GLN B 31 -10.993 -11.115 11.157 1.00 0.00 N ATOM 0 H GLN B 31 -10.239 -11.099 5.378 1.00 0.00 H new ATOM 0 HA GLN B 31 -8.166 -11.485 7.223 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -10.342 -10.560 7.826 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -11.159 -12.027 7.325 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -10.029 -13.285 9.134 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -9.185 -11.831 9.627 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -10.027 -10.855 11.357 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -11.739 -10.833 11.793 1.00 0.00 H new ATOM 1283 N ASP B 32 -9.630 -14.245 6.172 1.00 0.00 N ATOM 1284 CA ASP B 32 -9.495 -15.695 6.131 1.00 0.00 C ATOM 1285 C ASP B 32 -8.229 -16.120 5.388 1.00 0.00 C ATOM 1286 O ASP B 32 -7.512 -17.018 5.831 1.00 0.00 O ATOM 1287 CB ASP B 32 -10.726 -16.316 5.470 1.00 0.00 C ATOM 1288 CG ASP B 32 -10.689 -17.833 5.471 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -9.774 -18.407 4.841 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -11.574 -18.448 6.100 1.00 0.00 O ATOM 0 H ASP B 32 -10.395 -13.875 5.608 1.00 0.00 H new ATOM 0 HA ASP B 32 -9.415 -16.054 7.157 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -11.622 -15.978 5.991 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -10.801 -15.959 4.443 1.00 0.00 H new ATOM 1295 N LYS B 33 -7.971 -15.484 4.249 1.00 0.00 N ATOM 1296 CA LYS B 33 -6.805 -15.810 3.436 1.00 0.00 C ATOM 1297 C LYS B 33 -5.492 -15.469 4.142 1.00 0.00 C ATOM 1298 O LYS B 33 -4.668 -16.349 4.395 1.00 0.00 O ATOM 1299 CB LYS B 33 -6.881 -15.060 2.106 1.00 0.00 C ATOM 1300 CG LYS B 33 -8.127 -15.379 1.296 1.00 0.00 C ATOM 1301 CD LYS B 33 -8.167 -14.604 -0.012 1.00 0.00 C ATOM 1302 CE LYS B 33 -7.177 -15.150 -1.032 1.00 0.00 C ATOM 1303 NZ LYS B 33 -5.766 -15.043 -0.568 1.00 0.00 N ATOM 0 H LYS B 33 -8.555 -14.739 3.868 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.816 -16.886 3.265 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -6.850 -13.988 2.301 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -6.000 -15.302 1.512 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.159 -16.448 1.086 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -9.013 -15.143 1.885 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -9.174 -14.646 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.945 -13.555 0.182 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.411 -16.195 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.290 -14.607 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.142 -14.895 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.676 -14.240 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -5.494 -15.920 -0.080 1.00 0.00 H new ATOM 1317 N GLU B 34 -5.297 -14.188 4.435 1.00 0.00 N ATOM 1318 CA GLU B 34 -4.073 -13.724 5.087 1.00 0.00 C ATOM 1319 C GLU B 34 -4.048 -14.070 6.574 1.00 0.00 C ATOM 1320 O GLU B 34 -3.008 -14.454 7.110 1.00 0.00 O ATOM 1321 CB GLU B 34 -3.920 -12.213 4.906 1.00 0.00 C ATOM 1322 CG GLU B 34 -3.832 -11.779 3.451 1.00 0.00 C ATOM 1323 CD GLU B 34 -3.681 -10.276 3.297 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -3.649 -9.573 4.328 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -3.596 -9.803 2.144 1.00 0.00 O ATOM 0 H GLU B 34 -5.971 -13.450 4.232 1.00 0.00 H new ATOM 0 HA GLU B 34 -3.238 -14.239 4.612 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.767 -11.712 5.375 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -3.023 -11.882 5.430 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -2.985 -12.276 2.978 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -4.728 -12.106 2.923 1.00 0.00 H new ATOM 1332 N GLY B 35 -5.186 -13.911 7.239 1.00 0.00 N ATOM 1333 CA GLY B 35 -5.257 -14.193 8.662 1.00 0.00 C ATOM 1334 C GLY B 35 -4.692 -13.057 9.491 1.00 0.00 C ATOM 1335 O GLY B 35 -4.036 -13.283 10.509 1.00 0.00 O ATOM 0 H GLY B 35 -6.060 -13.593 6.820 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -6.295 -14.369 8.946 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -4.707 -15.109 8.879 1.00 0.00 H new ATOM 1339 N ILE B 36 -4.952 -11.831 9.048 1.00 0.00 N ATOM 1340 CA ILE B 36 -4.474 -10.641 9.740 1.00 0.00 C ATOM 1341 C ILE B 36 -5.630 -9.883 10.393 1.00 0.00 C ATOM 1342 O ILE B 36 -6.672 -9.675 9.771 1.00 0.00 O ATOM 1343 CB ILE B 36 -3.735 -9.695 8.770 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -2.508 -10.401 8.181 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -3.332 -8.407 9.475 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -1.771 -9.580 7.143 1.00 0.00 C ATOM 0 H ILE B 36 -5.495 -11.636 8.207 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.782 -10.975 10.513 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.410 -9.433 7.955 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.820 -10.650 8.989 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.823 -11.342 7.730 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.813 -7.755 8.773 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.223 -7.902 9.848 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.671 -8.641 10.310 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -0.916 -10.145 6.772 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -2.442 -9.353 6.315 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.424 -8.650 7.594 1.00 0.00 H new ATOM 1358 N PRO B 37 -5.460 -9.453 11.660 1.00 0.00 N ATOM 1359 CA PRO B 37 -6.496 -8.711 12.388 1.00 0.00 C ATOM 1360 C PRO B 37 -6.968 -7.481 11.615 1.00 0.00 C ATOM 1361 O PRO B 37 -6.177 -6.830 10.933 1.00 0.00 O ATOM 1362 CB PRO B 37 -5.797 -8.296 13.685 1.00 0.00 C ATOM 1363 CG PRO B 37 -4.704 -9.292 13.863 1.00 0.00 C ATOM 1364 CD PRO B 37 -4.248 -9.654 12.478 1.00 0.00 C ATOM 0 HA PRO B 37 -7.392 -9.310 12.550 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -5.401 -7.283 13.615 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -6.487 -8.311 14.529 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -3.885 -8.873 14.447 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.060 -10.171 14.399 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.428 -9.018 12.145 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -3.894 -10.684 12.427 1.00 0.00 H new ATOM 1372 N PRO B 38 -8.268 -7.146 11.710 1.00 0.00 N ATOM 1373 CA PRO B 38 -8.843 -5.989 11.013 1.00 0.00 C ATOM 1374 C PRO B 38 -8.083 -4.700 11.302 1.00 0.00 C ATOM 1375 O PRO B 38 -7.868 -3.881 10.409 1.00 0.00 O ATOM 1376 CB PRO B 38 -10.277 -5.900 11.560 1.00 0.00 C ATOM 1377 CG PRO B 38 -10.306 -6.796 12.755 1.00 0.00 C ATOM 1378 CD PRO B 38 -9.282 -7.860 12.499 1.00 0.00 C ATOM 0 HA PRO B 38 -8.798 -6.112 9.931 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.530 -4.875 11.832 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -11.003 -6.220 10.812 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.073 -6.241 13.664 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.296 -7.232 12.892 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -8.869 -8.256 13.426 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.702 -8.703 11.951 1.00 0.00 H new ATOM 1386 N ASP B 39 -7.681 -4.523 12.556 1.00 0.00 N ATOM 1387 CA ASP B 39 -6.946 -3.331 12.960 1.00 0.00 C ATOM 1388 C ASP B 39 -5.562 -3.296 12.311 1.00 0.00 C ATOM 1389 O ASP B 39 -5.102 -2.242 11.869 1.00 0.00 O ATOM 1390 CB ASP B 39 -6.817 -3.276 14.483 1.00 0.00 C ATOM 1391 CG ASP B 39 -6.075 -2.041 14.954 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -6.535 -0.920 14.651 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -5.034 -2.195 15.627 1.00 0.00 O ATOM 0 H ASP B 39 -7.852 -5.189 13.309 1.00 0.00 H new ATOM 0 HA ASP B 39 -7.504 -2.458 12.622 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.811 -3.292 14.930 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -6.295 -4.166 14.833 1.00 0.00 H new ATOM 1398 N GLN B 40 -4.905 -4.453 12.257 1.00 0.00 N ATOM 1399 CA GLN B 40 -3.574 -4.554 11.660 1.00 0.00 C ATOM 1400 C GLN B 40 -3.653 -4.599 10.134 1.00 0.00 C ATOM 1401 O GLN B 40 -2.859 -5.280 9.484 1.00 0.00 O ATOM 1402 CB GLN B 40 -2.842 -5.799 12.176 1.00 0.00 C ATOM 1403 CG GLN B 40 -2.323 -5.680 13.604 1.00 0.00 C ATOM 1404 CD GLN B 40 -3.428 -5.594 14.640 1.00 0.00 C ATOM 1405 OE1 GLN B 40 -4.171 -4.617 14.695 1.00 0.00 O ATOM 1406 NE2 GLN B 40 -3.539 -6.624 15.471 1.00 0.00 N ATOM 0 H GLN B 40 -5.272 -5.333 12.619 1.00 0.00 H new ATOM 0 HA GLN B 40 -3.016 -3.665 11.952 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -3.518 -6.652 12.118 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -2.002 -6.012 11.514 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -1.692 -6.541 13.827 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -1.693 -4.794 13.681 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -2.901 -7.416 15.390 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -4.263 -6.624 16.190 1.00 0.00 H new ATOM 1415 N GLN B 41 -4.607 -3.868 9.570 1.00 0.00 N ATOM 1416 CA GLN B 41 -4.786 -3.825 8.123 1.00 0.00 C ATOM 1417 C GLN B 41 -5.713 -2.681 7.722 1.00 0.00 C ATOM 1418 O GLN B 41 -6.634 -2.330 8.459 1.00 0.00 O ATOM 1419 CB GLN B 41 -5.325 -5.169 7.619 1.00 0.00 C ATOM 1420 CG GLN B 41 -6.664 -5.576 8.219 1.00 0.00 C ATOM 1421 CD GLN B 41 -7.855 -5.138 7.383 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -8.077 -3.951 7.160 1.00 0.00 O ATOM 1423 NE2 GLN B 41 -8.633 -6.108 6.915 1.00 0.00 N ATOM 0 H GLN B 41 -5.270 -3.296 10.093 1.00 0.00 H new ATOM 0 HA GLN B 41 -3.817 -3.644 7.659 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -5.426 -5.122 6.535 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -4.592 -5.945 7.838 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -6.688 -6.660 8.334 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.752 -5.147 9.217 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.414 -7.082 7.123 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.449 -5.878 6.348 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.449 -2.090 6.559 1.00 0.00 N ATOM 1433 CA ARG B 42 -6.250 -0.970 6.069 1.00 0.00 C ATOM 1434 C ARG B 42 -6.412 -1.027 4.553 1.00 0.00 C ATOM 1435 O ARG B 42 -5.427 -1.050 3.816 1.00 0.00 O ATOM 1436 CB ARG B 42 -5.584 0.347 6.465 1.00 0.00 C ATOM 1437 CG ARG B 42 -5.546 0.586 7.965 1.00 0.00 C ATOM 1438 CD ARG B 42 -4.363 1.455 8.357 1.00 0.00 C ATOM 1439 NE ARG B 42 -4.256 2.652 7.528 1.00 0.00 N ATOM 1440 CZ ARG B 42 -3.270 3.537 7.640 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -2.327 3.375 8.559 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -3.226 4.587 6.832 1.00 0.00 N ATOM 0 H ARG B 42 -4.688 -2.367 5.939 1.00 0.00 H new ATOM 0 HA ARG B 42 -7.240 -1.036 6.519 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -4.565 0.359 6.078 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -6.116 1.170 5.988 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -6.472 1.065 8.282 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -5.486 -0.370 8.486 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.460 1.747 9.403 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -3.445 0.874 8.273 1.00 0.00 H new ATOM 0 HE ARG B 42 -4.976 2.818 6.825 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.356 2.569 9.183 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -1.573 4.056 8.641 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -3.949 4.716 6.124 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -2.469 5.266 6.918 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.661 -1.042 4.091 1.00 0.00 N ATOM 1457 CA LEU B 43 -7.944 -1.090 2.660 1.00 0.00 C ATOM 1458 C LEU B 43 -8.072 0.312 2.071 1.00 0.00 C ATOM 1459 O LEU B 43 -9.179 0.824 1.906 1.00 0.00 O ATOM 1460 CB LEU B 43 -9.227 -1.880 2.385 1.00 0.00 C ATOM 1461 CG LEU B 43 -9.156 -3.377 2.693 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -10.469 -4.053 2.334 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -8.003 -4.024 1.938 1.00 0.00 C ATOM 0 H LEU B 43 -8.490 -1.022 4.685 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.104 -1.593 2.181 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.035 -1.444 2.972 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.492 -1.755 1.335 1.00 0.00 H new ATOM 0 HG LEU B 43 -8.981 -3.501 3.762 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -10.403 -5.118 2.559 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -11.278 -3.609 2.914 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.669 -3.918 1.271 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -7.968 -5.089 2.170 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.149 -3.890 0.866 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.065 -3.557 2.237 1.00 0.00 H new ATOM 1475 N ILE B 44 -6.939 0.923 1.739 1.00 0.00 N ATOM 1476 CA ILE B 44 -6.935 2.259 1.155 1.00 0.00 C ATOM 1477 C ILE B 44 -7.214 2.194 -0.343 1.00 0.00 C ATOM 1478 O ILE B 44 -6.694 1.325 -1.048 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.595 2.984 1.403 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.464 3.357 2.880 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.483 4.225 0.528 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -4.075 3.805 3.272 1.00 0.00 C ATOM 0 H ILE B 44 -6.013 0.514 1.864 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.727 2.827 1.644 1.00 0.00 H new ATOM 0 HB ILE B 44 -4.782 2.308 1.138 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -6.171 4.154 3.109 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.745 2.498 3.489 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.531 4.720 0.719 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.537 3.936 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.300 4.908 0.759 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.059 4.053 4.333 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.365 3.002 3.076 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.798 4.684 2.690 1.00 0.00 H new ATOM 1494 N PHE B 45 -8.047 3.112 -0.818 1.00 0.00 N ATOM 1495 CA PHE B 45 -8.414 3.162 -2.226 1.00 0.00 C ATOM 1496 C PHE B 45 -8.984 4.529 -2.591 1.00 0.00 C ATOM 1497 O PHE B 45 -9.673 5.160 -1.780 1.00 0.00 O ATOM 1498 CB PHE B 45 -9.439 2.068 -2.539 1.00 0.00 C ATOM 1499 CG PHE B 45 -9.867 2.026 -3.980 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -8.929 1.990 -4.999 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -11.213 2.017 -4.313 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -9.324 1.947 -6.323 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -11.613 1.973 -5.635 1.00 0.00 C ATOM 1504 CZ PHE B 45 -10.667 1.938 -6.641 1.00 0.00 C ATOM 0 H PHE B 45 -8.482 3.835 -0.245 1.00 0.00 H new ATOM 0 HA PHE B 45 -7.516 2.995 -2.820 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -9.017 1.100 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.319 2.219 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -7.877 1.996 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -11.957 2.045 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -8.582 1.920 -7.108 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -12.664 1.966 -5.881 1.00 0.00 H new ATOM 0 HZ PHE B 45 -10.978 1.904 -7.675 1.00 0.00 H new ATOM 1514 N ALA B 46 -8.686 4.976 -3.815 1.00 0.00 N ATOM 1515 CA ALA B 46 -9.158 6.265 -4.321 1.00 0.00 C ATOM 1516 C ALA B 46 -8.515 7.443 -3.589 1.00 0.00 C ATOM 1517 O ALA B 46 -8.319 8.510 -4.171 1.00 0.00 O ATOM 1518 CB ALA B 46 -10.676 6.347 -4.228 1.00 0.00 C ATOM 0 H ALA B 46 -8.113 4.456 -4.479 1.00 0.00 H new ATOM 0 HA ALA B 46 -8.859 6.332 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.012 7.312 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -11.121 5.548 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -10.983 6.240 -3.188 1.00 0.00 H new ATOM 1524 N GLY B 47 -8.201 7.250 -2.315 1.00 0.00 N ATOM 1525 CA GLY B 47 -7.598 8.303 -1.528 1.00 0.00 C ATOM 1526 C GLY B 47 -7.444 7.909 -0.074 1.00 0.00 C ATOM 1527 O GLY B 47 -6.592 8.450 0.633 1.00 0.00 O ATOM 0 H GLY B 47 -8.355 6.376 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -6.620 8.550 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -8.210 9.202 -1.597 1.00 0.00 H new ATOM 1531 N LYS B 48 -8.274 6.969 0.381 1.00 0.00 N ATOM 1532 CA LYS B 48 -8.217 6.519 1.769 1.00 0.00 C ATOM 1533 C LYS B 48 -8.988 5.219 1.972 1.00 0.00 C ATOM 1534 O LYS B 48 -9.737 4.785 1.098 1.00 0.00 O ATOM 1535 CB LYS B 48 -8.756 7.594 2.721 1.00 0.00 C ATOM 1536 CG LYS B 48 -10.190 8.018 2.438 1.00 0.00 C ATOM 1537 CD LYS B 48 -10.275 8.929 1.226 1.00 0.00 C ATOM 1538 CE LYS B 48 -11.710 9.323 0.919 1.00 0.00 C ATOM 1539 NZ LYS B 48 -12.551 8.141 0.582 1.00 0.00 N ATOM 0 H LYS B 48 -8.986 6.510 -0.186 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.168 6.336 1.999 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.695 7.221 3.743 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.112 8.471 2.662 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.806 7.134 2.273 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -10.597 8.532 3.309 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -9.681 9.826 1.402 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -9.843 8.426 0.361 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.137 9.839 1.779 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.723 10.027 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.450 8.461 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -12.049 7.542 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.742 7.593 1.445 1.00 0.00 H new ATOM 1553 N GLN B 49 -8.785 4.603 3.134 1.00 0.00 N ATOM 1554 CA GLN B 49 -9.448 3.349 3.467 1.00 0.00 C ATOM 1555 C GLN B 49 -10.958 3.461 3.294 1.00 0.00 C ATOM 1556 O GLN B 49 -11.587 4.393 3.797 1.00 0.00 O ATOM 1557 CB GLN B 49 -9.114 2.937 4.903 1.00 0.00 C ATOM 1558 CG GLN B 49 -9.472 3.991 5.940 1.00 0.00 C ATOM 1559 CD GLN B 49 -9.149 3.563 7.363 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -9.360 4.322 8.309 1.00 0.00 O ATOM 1561 NE2 GLN B 49 -8.639 2.345 7.526 1.00 0.00 N ATOM 0 H GLN B 49 -8.164 4.955 3.862 1.00 0.00 H new ATOM 0 HA GLN B 49 -9.083 2.584 2.782 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.643 2.013 5.139 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -8.048 2.720 4.971 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -8.935 4.912 5.713 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.536 4.216 5.868 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -8.479 1.746 6.716 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -8.408 2.010 8.461 1.00 0.00 H new ATOM 1570 N LEU B 50 -11.531 2.500 2.579 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.966 2.478 2.333 1.00 0.00 C ATOM 1572 C LEU B 50 -13.717 2.009 3.575 1.00 0.00 C ATOM 1573 O LEU B 50 -13.278 1.086 4.261 1.00 0.00 O ATOM 1574 CB LEU B 50 -13.282 1.557 1.150 1.00 0.00 C ATOM 1575 CG LEU B 50 -12.477 1.833 -0.125 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -12.882 0.871 -1.232 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -12.662 3.275 -0.577 1.00 0.00 C ATOM 0 H LEU B 50 -11.021 1.723 2.158 1.00 0.00 H new ATOM 0 HA LEU B 50 -13.291 3.491 2.094 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -13.106 0.526 1.456 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -14.343 1.643 0.916 1.00 0.00 H new ATOM 0 HG LEU B 50 -11.421 1.677 0.098 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -12.300 1.083 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -12.694 -0.153 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -13.943 0.994 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -12.082 3.449 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -13.717 3.460 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -12.320 3.949 0.208 1.00 0.00 H new ATOM 1589 N GLU B 51 -14.848 2.649 3.860 1.00 0.00 N ATOM 1590 CA GLU B 51 -15.655 2.290 5.022 1.00 0.00 C ATOM 1591 C GLU B 51 -16.021 0.810 4.984 1.00 0.00 C ATOM 1592 O GLU B 51 -16.419 0.289 3.944 1.00 0.00 O ATOM 1593 CB GLU B 51 -16.925 3.142 5.070 1.00 0.00 C ATOM 1594 CG GLU B 51 -16.654 4.636 5.161 1.00 0.00 C ATOM 1595 CD GLU B 51 -17.928 5.456 5.186 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -18.743 5.262 6.115 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -18.115 6.292 4.277 1.00 0.00 O ATOM 0 H GLU B 51 -15.225 3.416 3.304 1.00 0.00 H new ATOM 0 HA GLU B 51 -15.067 2.481 5.920 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -17.520 2.943 4.179 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.525 2.837 5.928 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.075 4.843 6.061 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -16.044 4.944 4.312 1.00 0.00 H new ATOM 1604 N ASP B 52 -15.874 0.138 6.123 1.00 0.00 N ATOM 1605 CA ASP B 52 -16.182 -1.288 6.226 1.00 0.00 C ATOM 1606 C ASP B 52 -17.689 -1.537 6.291 1.00 0.00 C ATOM 1607 O ASP B 52 -18.163 -2.314 7.120 1.00 0.00 O ATOM 1608 CB ASP B 52 -15.496 -1.884 7.458 1.00 0.00 C ATOM 1609 CG ASP B 52 -15.823 -1.127 8.731 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -17.018 -1.047 9.088 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -14.883 -0.615 9.375 1.00 0.00 O ATOM 0 H ASP B 52 -15.542 0.559 6.991 1.00 0.00 H new ATOM 0 HA ASP B 52 -15.804 -1.777 5.328 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -15.800 -2.925 7.570 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -14.417 -1.881 7.305 1.00 0.00 H new ATOM 1616 N GLY B 53 -18.436 -0.880 5.408 1.00 0.00 N ATOM 1617 CA GLY B 53 -19.878 -1.048 5.384 1.00 0.00 C ATOM 1618 C GLY B 53 -20.535 -0.244 4.280 1.00 0.00 C ATOM 1619 O GLY B 53 -21.519 0.456 4.516 1.00 0.00 O ATOM 0 H GLY B 53 -18.068 -0.235 4.709 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -20.116 -2.103 5.252 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -20.292 -0.746 6.346 1.00 0.00 H new ATOM 1623 N ARG B 54 -19.988 -0.341 3.070 1.00 0.00 N ATOM 1624 CA ARG B 54 -20.525 0.387 1.924 1.00 0.00 C ATOM 1625 C ARG B 54 -20.372 -0.427 0.642 1.00 0.00 C ATOM 1626 O ARG B 54 -19.307 -0.979 0.367 1.00 0.00 O ATOM 1627 CB ARG B 54 -19.809 1.733 1.768 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.966 2.660 2.965 1.00 0.00 C ATOM 1629 CD ARG B 54 -21.401 3.139 3.122 1.00 0.00 C ATOM 1630 NE ARG B 54 -21.833 3.946 1.985 1.00 0.00 N ATOM 1631 CZ ARG B 54 -23.040 4.494 1.885 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -23.937 4.316 2.845 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -23.352 5.223 0.821 1.00 0.00 N ATOM 0 H ARG B 54 -19.173 -0.917 2.859 1.00 0.00 H new ATOM 0 HA ARG B 54 -21.586 0.561 2.102 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -18.748 1.551 1.599 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -20.191 2.236 0.880 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.655 2.140 3.871 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -19.306 3.520 2.848 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -22.061 2.278 3.228 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -21.490 3.724 4.037 1.00 0.00 H new ATOM 0 HE ARG B 54 -21.171 4.098 1.224 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -23.702 3.757 3.665 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -24.862 4.739 2.764 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -22.666 5.363 0.080 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -24.278 5.643 0.745 1.00 0.00 H new ATOM 1647 N THR B 55 -21.447 -0.496 -0.139 1.00 0.00 N ATOM 1648 CA THR B 55 -21.443 -1.237 -1.396 1.00 0.00 C ATOM 1649 C THR B 55 -20.462 -0.627 -2.395 1.00 0.00 C ATOM 1650 O THR B 55 -20.233 0.582 -2.392 1.00 0.00 O ATOM 1651 CB THR B 55 -22.846 -1.276 -2.031 1.00 0.00 C ATOM 1652 OG1 THR B 55 -23.295 0.055 -2.312 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.841 -1.966 -1.108 1.00 0.00 C ATOM 0 H THR B 55 -22.336 -0.045 0.079 1.00 0.00 H new ATOM 0 HA THR B 55 -21.130 -2.254 -1.160 1.00 0.00 H new ATOM 0 HB THR B 55 -22.782 -1.842 -2.960 1.00 0.00 H new ATOM 0 HG1 THR B 55 -23.076 0.640 -1.557 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.824 -1.981 -1.579 1.00 0.00 H new ATOM 0 HG22 THR B 55 -23.514 -2.988 -0.919 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.899 -1.423 -0.164 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.888 -1.475 -3.245 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.930 -1.031 -4.255 1.00 0.00 C ATOM 1663 C LEU B 56 -19.490 0.129 -5.076 1.00 0.00 C ATOM 1664 O LEU B 56 -18.761 1.047 -5.451 1.00 0.00 O ATOM 1665 CB LEU B 56 -18.568 -2.193 -5.186 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.910 -3.397 -4.507 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -17.722 -4.531 -5.503 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -16.573 -3.003 -3.893 1.00 0.00 C ATOM 0 H LEU B 56 -20.071 -2.478 -3.254 1.00 0.00 H new ATOM 0 HA LEU B 56 -18.035 -0.686 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -19.475 -2.531 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.896 -1.821 -5.959 1.00 0.00 H new ATOM 0 HG LEU B 56 -18.567 -3.741 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -17.253 -5.379 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -18.692 -4.833 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -17.086 -4.194 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -16.122 -3.873 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.909 -2.632 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -16.730 -2.222 -3.150 1.00 0.00 H new ATOM 1680 N SER B 57 -20.787 0.069 -5.358 1.00 0.00 N ATOM 1681 CA SER B 57 -21.458 1.101 -6.144 1.00 0.00 C ATOM 1682 C SER B 57 -21.260 2.492 -5.544 1.00 0.00 C ATOM 1683 O SER B 57 -21.143 3.477 -6.274 1.00 0.00 O ATOM 1684 CB SER B 57 -22.952 0.790 -6.251 1.00 0.00 C ATOM 1685 OG SER B 57 -23.627 1.785 -7.001 1.00 0.00 O ATOM 0 H SER B 57 -21.399 -0.688 -5.052 1.00 0.00 H new ATOM 0 HA SER B 57 -21.011 1.100 -7.138 1.00 0.00 H new ATOM 0 HB2 SER B 57 -23.091 -0.183 -6.723 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.386 0.725 -5.253 1.00 0.00 H new ATOM 0 HG SER B 57 -24.580 1.563 -7.056 1.00 0.00 H new ATOM 1691 N ASP B 58 -21.239 2.571 -4.216 1.00 0.00 N ATOM 1692 CA ASP B 58 -21.071 3.850 -3.528 1.00 0.00 C ATOM 1693 C ASP B 58 -19.832 4.593 -4.020 1.00 0.00 C ATOM 1694 O ASP B 58 -19.925 5.735 -4.473 1.00 0.00 O ATOM 1695 CB ASP B 58 -20.978 3.637 -2.016 1.00 0.00 C ATOM 1696 CG ASP B 58 -22.254 3.062 -1.434 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -23.319 3.692 -1.600 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -22.187 1.984 -0.807 1.00 0.00 O ATOM 0 H ASP B 58 -21.336 1.767 -3.595 1.00 0.00 H new ATOM 0 HA ASP B 58 -21.946 4.459 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -20.147 2.966 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -20.757 4.588 -1.531 1.00 0.00 H new ATOM 1703 N TYR B 59 -18.672 3.948 -3.930 1.00 0.00 N ATOM 1704 CA TYR B 59 -17.426 4.566 -4.371 1.00 0.00 C ATOM 1705 C TYR B 59 -17.244 4.423 -5.878 1.00 0.00 C ATOM 1706 O TYR B 59 -16.165 4.692 -6.408 1.00 0.00 O ATOM 1707 CB TYR B 59 -16.229 3.949 -3.643 1.00 0.00 C ATOM 1708 CG TYR B 59 -16.278 4.107 -2.139 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -17.102 3.305 -1.360 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -15.489 5.054 -1.497 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -17.142 3.445 0.014 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -15.523 5.198 -0.123 1.00 0.00 C ATOM 1713 CZ TYR B 59 -16.351 4.392 0.627 1.00 0.00 C ATOM 1714 OH TYR B 59 -16.388 4.534 1.995 1.00 0.00 O ATOM 0 H TYR B 59 -18.569 3.004 -3.558 1.00 0.00 H new ATOM 0 HA TYR B 59 -17.481 5.627 -4.128 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -16.177 2.888 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -15.313 4.407 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -17.722 2.560 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -14.839 5.688 -2.082 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -17.790 2.815 0.605 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -14.903 5.939 0.360 1.00 0.00 H new ATOM 0 HH TYR B 59 -17.177 4.075 2.350 1.00 0.00 H new ATOM 1724 N ASN B 60 -18.304 3.999 -6.562 1.00 0.00 N ATOM 1725 CA ASN B 60 -18.262 3.819 -8.009 1.00 0.00 C ATOM 1726 C ASN B 60 -17.048 2.984 -8.412 1.00 0.00 C ATOM 1727 O ASN B 60 -16.404 3.253 -9.425 1.00 0.00 O ATOM 1728 CB ASN B 60 -18.223 5.177 -8.714 1.00 0.00 C ATOM 1729 CG ASN B 60 -19.410 6.049 -8.353 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -20.561 5.679 -8.585 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -19.135 7.215 -7.780 1.00 0.00 N ATOM 0 H ASN B 60 -19.203 3.774 -6.136 1.00 0.00 H new ATOM 0 HA ASN B 60 -19.165 3.290 -8.314 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -17.301 5.695 -8.449 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -18.203 5.023 -9.793 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -19.893 7.844 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -18.166 7.482 -7.606 1.00 0.00 H new ATOM 1738 N ILE B 61 -16.739 1.976 -7.603 1.00 0.00 N ATOM 1739 CA ILE B 61 -15.600 1.105 -7.862 1.00 0.00 C ATOM 1740 C ILE B 61 -15.778 0.327 -9.161 1.00 0.00 C ATOM 1741 O ILE B 61 -16.806 -0.315 -9.380 1.00 0.00 O ATOM 1742 CB ILE B 61 -15.379 0.116 -6.698 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -15.089 0.884 -5.405 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -14.242 -0.847 -7.018 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -14.902 -0.005 -4.194 1.00 0.00 C ATOM 0 H ILE B 61 -17.264 1.742 -6.760 1.00 0.00 H new ATOM 0 HA ILE B 61 -14.724 1.747 -7.955 1.00 0.00 H new ATOM 0 HB ILE B 61 -16.288 -0.470 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -14.191 1.485 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -15.909 1.576 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -14.103 -1.535 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -14.486 -1.411 -7.918 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -13.323 -0.284 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.700 0.611 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.808 -0.588 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -14.063 -0.680 -4.364 1.00 0.00 H new ATOM 1757 N GLN B 62 -14.762 0.386 -10.016 1.00 0.00 N ATOM 1758 CA GLN B 62 -14.789 -0.315 -11.294 1.00 0.00 C ATOM 1759 C GLN B 62 -14.431 -1.785 -11.111 1.00 0.00 C ATOM 1760 O GLN B 62 -13.646 -2.137 -10.232 1.00 0.00 O ATOM 1761 CB GLN B 62 -13.826 0.336 -12.295 1.00 0.00 C ATOM 1762 CG GLN B 62 -14.191 1.769 -12.660 1.00 0.00 C ATOM 1763 CD GLN B 62 -13.808 2.782 -11.592 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -14.201 3.947 -11.664 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -13.020 2.357 -10.609 1.00 0.00 N ATOM 0 H GLN B 62 -13.906 0.915 -9.845 1.00 0.00 H new ATOM 0 HA GLN B 62 -15.802 -0.247 -11.690 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -12.819 0.323 -11.877 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -13.801 -0.265 -13.204 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -13.698 2.034 -13.595 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -15.265 1.828 -12.838 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -12.715 1.384 -10.584 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -12.720 3.004 -9.880 1.00 0.00 H new ATOM 1774 N LYS B 63 -15.014 -2.641 -11.939 1.00 0.00 N ATOM 1775 CA LYS B 63 -14.750 -4.072 -11.859 1.00 0.00 C ATOM 1776 C LYS B 63 -13.282 -4.375 -12.153 1.00 0.00 C ATOM 1777 O LYS B 63 -12.689 -3.799 -13.067 1.00 0.00 O ATOM 1778 CB LYS B 63 -15.650 -4.836 -12.832 1.00 0.00 C ATOM 1779 CG LYS B 63 -15.455 -4.442 -14.286 1.00 0.00 C ATOM 1780 CD LYS B 63 -16.374 -5.233 -15.201 1.00 0.00 C ATOM 1781 CE LYS B 63 -16.157 -4.871 -16.661 1.00 0.00 C ATOM 1782 NZ LYS B 63 -16.440 -3.434 -16.925 1.00 0.00 N ATOM 0 H LYS B 63 -15.671 -2.371 -12.671 1.00 0.00 H new ATOM 0 HA LYS B 63 -14.970 -4.399 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -15.460 -5.904 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -16.691 -4.669 -12.557 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -15.649 -3.376 -14.405 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.418 -4.611 -14.575 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -16.199 -6.300 -15.060 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -17.412 -5.042 -14.929 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -15.128 -5.096 -16.942 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.800 -5.489 -17.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -16.480 -3.271 -17.951 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -17.352 -3.176 -16.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -15.686 -2.850 -16.511 1.00 0.00 H new ATOM 1796 N GLU B 64 -12.711 -5.286 -11.370 1.00 0.00 N ATOM 1797 CA GLU B 64 -11.315 -5.687 -11.530 1.00 0.00 C ATOM 1798 C GLU B 64 -10.354 -4.536 -11.235 1.00 0.00 C ATOM 1799 O GLU B 64 -9.333 -4.382 -11.906 1.00 0.00 O ATOM 1800 CB GLU B 64 -11.070 -6.222 -12.945 1.00 0.00 C ATOM 1801 CG GLU B 64 -11.919 -7.435 -13.293 1.00 0.00 C ATOM 1802 CD GLU B 64 -11.678 -7.934 -14.707 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -10.857 -7.322 -15.422 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -12.313 -8.935 -15.098 1.00 0.00 O ATOM 0 H GLU B 64 -13.198 -5.764 -10.612 1.00 0.00 H new ATOM 0 HA GLU B 64 -11.121 -6.478 -10.806 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.273 -5.429 -13.664 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -10.017 -6.484 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.705 -8.238 -12.588 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -12.973 -7.181 -13.176 1.00 0.00 H new ATOM 1811 N SER B 65 -10.671 -3.740 -10.215 1.00 0.00 N ATOM 1812 CA SER B 65 -9.814 -2.623 -9.829 1.00 0.00 C ATOM 1813 C SER B 65 -8.639 -3.112 -8.985 1.00 0.00 C ATOM 1814 O SER B 65 -8.163 -4.234 -9.165 1.00 0.00 O ATOM 1815 CB SER B 65 -10.615 -1.569 -9.060 1.00 0.00 C ATOM 1816 OG SER B 65 -11.517 -0.888 -9.912 1.00 0.00 O ATOM 0 H SER B 65 -11.510 -3.848 -9.645 1.00 0.00 H new ATOM 0 HA SER B 65 -9.422 -2.167 -10.738 1.00 0.00 H new ATOM 0 HB2 SER B 65 -11.166 -2.047 -8.250 1.00 0.00 H new ATOM 0 HB3 SER B 65 -9.933 -0.853 -8.602 1.00 0.00 H new ATOM 0 HG SER B 65 -12.437 -1.109 -9.657 1.00 0.00 H new ATOM 1822 N THR B 66 -8.178 -2.271 -8.060 1.00 0.00 N ATOM 1823 CA THR B 66 -7.062 -2.625 -7.191 1.00 0.00 C ATOM 1824 C THR B 66 -7.028 -1.734 -5.953 1.00 0.00 C ATOM 1825 O THR B 66 -7.105 -0.509 -6.054 1.00 0.00 O ATOM 1826 CB THR B 66 -5.712 -2.506 -7.928 1.00 0.00 C ATOM 1827 OG1 THR B 66 -5.697 -3.364 -9.076 1.00 0.00 O ATOM 1828 CG2 THR B 66 -4.555 -2.868 -7.008 1.00 0.00 C ATOM 0 H THR B 66 -8.562 -1.340 -7.895 1.00 0.00 H new ATOM 0 HA THR B 66 -7.213 -3.662 -6.890 1.00 0.00 H new ATOM 0 HB THR B 66 -5.594 -1.470 -8.247 1.00 0.00 H new ATOM 0 HG1 THR B 66 -4.836 -3.279 -9.537 1.00 0.00 H new ATOM 0 HG21 THR B 66 -3.615 -2.776 -7.552 1.00 0.00 H new ATOM 0 HG22 THR B 66 -4.546 -2.194 -6.152 1.00 0.00 H new ATOM 0 HG23 THR B 66 -4.674 -3.894 -6.660 1.00 0.00 H new ATOM 1836 N LEU B 67 -6.906 -2.360 -4.787 1.00 0.00 N ATOM 1837 CA LEU B 67 -6.855 -1.636 -3.522 1.00 0.00 C ATOM 1838 C LEU B 67 -5.583 -1.981 -2.757 1.00 0.00 C ATOM 1839 O LEU B 67 -5.113 -3.122 -2.799 1.00 0.00 O ATOM 1840 CB LEU B 67 -8.081 -1.958 -2.656 1.00 0.00 C ATOM 1841 CG LEU B 67 -9.422 -1.429 -3.176 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -9.856 -2.174 -4.427 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -10.486 -1.535 -2.093 1.00 0.00 C ATOM 0 H LEU B 67 -6.840 -3.373 -4.692 1.00 0.00 H new ATOM 0 HA LEU B 67 -6.856 -0.570 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.155 -3.041 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -7.914 -1.552 -1.658 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.295 -0.379 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.810 -1.778 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.105 -2.045 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -9.965 -3.234 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.434 -1.156 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -10.604 -2.578 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -10.183 -0.947 -1.227 1.00 0.00 H new ATOM 1855 N HIS B 68 -5.027 -0.994 -2.057 1.00 0.00 N ATOM 1856 CA HIS B 68 -3.811 -1.206 -1.281 1.00 0.00 C ATOM 1857 C HIS B 68 -4.133 -1.477 0.184 1.00 0.00 C ATOM 1858 O HIS B 68 -4.874 -0.725 0.817 1.00 0.00 O ATOM 1859 CB HIS B 68 -2.874 -0.008 -1.408 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.275 0.142 -2.773 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -1.293 1.063 -3.065 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -2.519 -0.521 -3.929 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -0.958 0.960 -4.338 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -1.687 0.006 -4.884 1.00 0.00 N ATOM 0 H HIS B 68 -5.398 -0.045 -2.012 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.307 -2.084 -1.685 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -3.423 0.900 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -2.072 -0.106 -0.677 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.235 -1.316 -4.072 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.214 1.556 -4.846 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -1.640 -0.292 -5.858 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.572 -2.560 0.714 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.797 -2.939 2.103 1.00 0.00 C ATOM 1875 C LEU B 69 -2.593 -2.587 2.972 1.00 0.00 C ATOM 1876 O LEU B 69 -1.627 -3.348 3.045 1.00 0.00 O ATOM 1877 CB LEU B 69 -4.087 -4.438 2.198 1.00 0.00 C ATOM 1878 CG LEU B 69 -4.325 -4.967 3.614 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -5.538 -4.298 4.242 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -4.498 -6.478 3.595 1.00 0.00 C ATOM 0 H LEU B 69 -2.957 -3.191 0.200 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.658 -2.380 2.470 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -4.965 -4.661 1.592 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -3.250 -4.982 1.760 1.00 0.00 H new ATOM 0 HG LEU B 69 -3.452 -4.727 4.221 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -5.689 -4.689 5.248 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.375 -3.221 4.292 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -6.421 -4.504 3.637 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -4.666 -6.838 4.610 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -5.353 -6.739 2.971 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -3.599 -6.942 3.190 1.00 0.00 H new ATOM 1892 N VAL B 70 -2.659 -1.436 3.633 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.577 -0.993 4.505 1.00 0.00 C ATOM 1894 C VAL B 70 -1.570 -1.793 5.804 1.00 0.00 C ATOM 1895 O VAL B 70 -2.617 -2.010 6.416 1.00 0.00 O ATOM 1896 CB VAL B 70 -1.693 0.509 4.827 1.00 0.00 C ATOM 1897 CG1 VAL B 70 -0.511 0.973 5.664 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -1.796 1.320 3.544 1.00 0.00 C ATOM 0 H VAL B 70 -3.450 -0.794 3.582 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.641 -1.162 3.972 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.601 0.667 5.408 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.613 2.037 5.880 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.486 0.414 6.599 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.414 0.802 5.114 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.877 2.379 3.789 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.906 1.155 2.937 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.679 1.008 2.986 1.00 0.00 H new ATOM 1908 N LEU B 71 -0.385 -2.241 6.211 1.00 0.00 N ATOM 1909 CA LEU B 71 -0.240 -3.030 7.432 1.00 0.00 C ATOM 1910 C LEU B 71 -0.429 -2.173 8.682 1.00 0.00 C ATOM 1911 O LEU B 71 0.266 -1.175 8.873 1.00 0.00 O ATOM 1912 CB LEU B 71 1.136 -3.701 7.466 1.00 0.00 C ATOM 1913 CG LEU B 71 1.407 -4.572 8.695 1.00 0.00 C ATOM 1914 CD1 LEU B 71 0.436 -5.743 8.750 1.00 0.00 C ATOM 1915 CD2 LEU B 71 2.844 -5.073 8.685 1.00 0.00 C ATOM 0 H LEU B 71 0.489 -2.071 5.713 1.00 0.00 H new ATOM 0 HA LEU B 71 -1.018 -3.793 7.426 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.244 -4.317 6.573 1.00 0.00 H new ATOM 0 HB3 LEU B 71 1.901 -2.927 7.414 1.00 0.00 H new ATOM 0 HG LEU B 71 1.258 -3.962 9.586 1.00 0.00 H new ATOM 0 HD11 LEU B 71 0.646 -6.349 9.631 1.00 0.00 H new ATOM 0 HD12 LEU B 71 -0.585 -5.366 8.804 1.00 0.00 H new ATOM 0 HD13 LEU B 71 0.551 -6.353 7.854 1.00 0.00 H new ATOM 0 HD21 LEU B 71 3.020 -5.691 9.566 1.00 0.00 H new ATOM 0 HD22 LEU B 71 3.017 -5.665 7.786 1.00 0.00 H new ATOM 0 HD23 LEU B 71 3.526 -4.223 8.696 1.00 0.00 H new ATOM 1927 N ARG B 72 -1.361 -2.591 9.538 1.00 0.00 N ATOM 1928 CA ARG B 72 -1.646 -1.891 10.791 1.00 0.00 C ATOM 1929 C ARG B 72 -2.029 -0.430 10.558 1.00 0.00 C ATOM 1930 O ARG B 72 -1.848 0.116 9.471 1.00 0.00 O ATOM 1931 CB ARG B 72 -0.446 -1.973 11.734 1.00 0.00 C ATOM 1932 CG ARG B 72 0.045 -3.393 11.965 1.00 0.00 C ATOM 1933 CD ARG B 72 1.251 -3.428 12.890 1.00 0.00 C ATOM 1934 NE ARG B 72 1.748 -4.787 13.090 1.00 0.00 N ATOM 1935 CZ ARG B 72 2.801 -5.087 13.843 1.00 0.00 C ATOM 1936 NH1 ARG B 72 3.470 -4.126 14.467 1.00 0.00 N ATOM 1937 NH2 ARG B 72 3.190 -6.348 13.972 1.00 0.00 N ATOM 0 H ARG B 72 -1.937 -3.419 9.384 1.00 0.00 H new ATOM 0 HA ARG B 72 -2.501 -2.388 11.250 1.00 0.00 H new ATOM 0 HB2 ARG B 72 0.370 -1.377 11.325 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -0.716 -1.529 12.692 1.00 0.00 H new ATOM 0 HG2 ARG B 72 -0.759 -3.991 12.393 1.00 0.00 H new ATOM 0 HG3 ARG B 72 0.306 -3.848 11.009 1.00 0.00 H new ATOM 0 HD2 ARG B 72 2.046 -2.809 12.473 1.00 0.00 H new ATOM 0 HD3 ARG B 72 0.982 -2.995 13.853 1.00 0.00 H new ATOM 0 HE ARG B 72 1.258 -5.551 12.624 1.00 0.00 H new ATOM 0 HH11 ARG B 72 3.176 -3.154 14.369 1.00 0.00 H new ATOM 0 HH12 ARG B 72 4.278 -4.359 15.044 1.00 0.00 H new ATOM 0 HH21 ARG B 72 2.681 -7.090 13.493 1.00 0.00 H new ATOM 0 HH22 ARG B 72 3.999 -6.576 14.551 1.00 0.00 H new ATOM 1951 N LEU B 73 -2.565 0.194 11.603 1.00 0.00 N ATOM 1952 CA LEU B 73 -2.986 1.591 11.544 1.00 0.00 C ATOM 1953 C LEU B 73 -1.765 2.518 11.574 1.00 0.00 C ATOM 1954 O LEU B 73 -0.700 2.162 11.070 1.00 0.00 O ATOM 1955 CB LEU B 73 -3.937 1.892 12.711 1.00 0.00 C ATOM 1956 CG LEU B 73 -4.824 3.132 12.544 1.00 0.00 C ATOM 1957 CD1 LEU B 73 -5.741 2.980 11.340 1.00 0.00 C ATOM 1958 CD2 LEU B 73 -5.638 3.374 13.806 1.00 0.00 C ATOM 0 H LEU B 73 -2.719 -0.250 12.508 1.00 0.00 H new ATOM 0 HA LEU B 73 -3.517 1.769 10.609 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -4.581 1.026 12.864 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -3.344 2.012 13.617 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.180 3.995 12.375 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -6.361 3.871 11.240 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -5.141 2.853 10.439 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -6.379 2.107 11.477 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -6.263 4.257 13.672 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -6.271 2.508 14.002 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -4.965 3.530 14.649 1.00 0.00 H new ATOM 1970 N ARG B 74 -1.918 3.703 12.165 1.00 0.00 N ATOM 1971 CA ARG B 74 -0.822 4.663 12.253 1.00 0.00 C ATOM 1972 C ARG B 74 0.364 4.066 13.007 1.00 0.00 C ATOM 1973 O ARG B 74 0.190 3.420 14.040 1.00 0.00 O ATOM 1974 CB ARG B 74 -1.288 5.943 12.952 1.00 0.00 C ATOM 1975 CG ARG B 74 -2.446 6.642 12.251 1.00 0.00 C ATOM 1976 CD ARG B 74 -2.060 7.110 10.856 1.00 0.00 C ATOM 1977 NE ARG B 74 -0.968 8.081 10.883 1.00 0.00 N ATOM 1978 CZ ARG B 74 -1.060 9.286 11.442 1.00 0.00 C ATOM 1979 NH1 ARG B 74 -2.196 9.681 12.003 1.00 0.00 N ATOM 1980 NH2 ARG B 74 -0.014 10.101 11.436 1.00 0.00 N ATOM 0 H ARG B 74 -2.790 4.019 12.589 1.00 0.00 H new ATOM 0 HA ARG B 74 -0.505 4.905 11.239 1.00 0.00 H new ATOM 0 HB2 ARG B 74 -1.587 5.700 13.972 1.00 0.00 H new ATOM 0 HB3 ARG B 74 -0.448 6.634 13.022 1.00 0.00 H new ATOM 0 HG2 ARG B 74 -3.295 5.962 12.185 1.00 0.00 H new ATOM 0 HG3 ARG B 74 -2.768 7.497 12.845 1.00 0.00 H new ATOM 0 HD2 ARG B 74 -1.765 6.250 10.255 1.00 0.00 H new ATOM 0 HD3 ARG B 74 -2.928 7.555 10.371 1.00 0.00 H new ATOM 0 HE ARG B 74 -0.083 7.820 10.448 1.00 0.00 H new ATOM 0 HH11 ARG B 74 -3.005 9.060 12.008 1.00 0.00 H new ATOM 0 HH12 ARG B 74 -2.260 10.605 12.430 1.00 0.00 H new ATOM 0 HH21 ARG B 74 0.861 9.805 11.003 1.00 0.00 H new ATOM 0 HH22 ARG B 74 -0.084 11.024 11.864 1.00 0.00 H new ATOM 1994 N GLY B 75 1.566 4.287 12.482 1.00 0.00 N ATOM 1995 CA GLY B 75 2.762 3.765 13.117 1.00 0.00 C ATOM 1996 C GLY B 75 3.066 4.446 14.438 1.00 0.00 C ATOM 1997 O GLY B 75 2.164 4.699 15.237 1.00 0.00 O ATOM 0 H GLY B 75 1.732 4.819 11.628 1.00 0.00 H new ATOM 0 HA2 GLY B 75 2.643 2.694 13.283 1.00 0.00 H new ATOM 0 HA3 GLY B 75 3.610 3.890 12.444 1.00 0.00 H new ATOM 2001 N GLY B 76 4.342 4.744 14.668 1.00 0.00 N ATOM 2002 CA GLY B 76 4.741 5.397 15.901 1.00 0.00 C ATOM 2003 C GLY B 76 6.238 5.626 15.980 1.00 0.00 C ATOM 2004 O GLY B 76 6.649 6.730 16.394 1.00 0.00 O ATOM 2005 OXT GLY B 76 6.999 4.699 15.629 1.00 0.00 O ATOM 0 H GLY B 76 5.106 4.545 14.022 1.00 0.00 H new ATOM 0 HA2 GLY B 76 4.226 6.354 15.985 1.00 0.00 H new ATOM 0 HA3 GLY B 76 4.425 4.789 16.749 1.00 0.00 H new TER 2009 GLY B 76