USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 708 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= 0.9 K(o=2.4,f=-9.9!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 145:sc= 1.5 (180deg=1.03) USER MOD Set 1.3: A 67 ASN : amide:sc= -0.014 K(o=2.4,f=0.65!) USER MOD Set 2.1: A 38 GLN : amide:sc= 1.08 K(o=0.98,f=-3.8!) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.0988 K(o=0.98,f=-1.7!) USER MOD Set 3.1: A 22 SER OG : rot 129:sc= 0.735 USER MOD Set 3.2: A 26 MET CE :methyl -179:sc= 0 (180deg=-0.00386) USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.129 K(o=0.86,f=-3.7!) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0459 (180deg=-0.195) USER MOD Single : A 1 MET N :NH3+ -123:sc= 1.16 (180deg=-0.281) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= 0.849 (180deg=0.761) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -78:sc= -0.357 USER MOD Single : A 11 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.1) USER MOD Single : A 12 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.32) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -122:sc= -0.529 (180deg=-0.706) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -15:sc= -0.113 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -43:sc= 0.771 USER MOD Single : A 58 MET CE :methyl -166:sc= -0.0167 (180deg=-0.245) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.029) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.697 K(o=0.7,f=-3.4!) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.530 1.097 2.317 1.00 50.00 N ATOM 2 CA MET A 1 -10.191 1.494 2.736 1.00 50.00 C ATOM 3 C MET A 1 -10.100 3.002 2.930 1.00 50.00 C ATOM 4 O MET A 1 -10.000 3.758 1.964 1.00 50.00 O ATOM 5 CB MET A 1 -9.158 1.031 1.711 1.00 50.00 C ATOM 6 CG MET A 1 -8.959 -0.477 1.654 1.00 50.00 C ATOM 7 SD MET A 1 -7.792 -0.976 0.373 1.00 75.00 S ATOM 8 CE MET A 1 -7.795 -2.753 0.588 1.00 75.00 C ATOM 0 H1 MET A 1 -11.913 0.404 2.991 1.00 50.00 H new ATOM 0 H2 MET A 1 -12.148 1.933 2.291 1.00 50.00 H new ATOM 0 H3 MET A 1 -11.485 0.670 1.370 1.00 50.00 H new ATOM 0 HA MET A 1 -9.981 1.017 3.693 1.00 50.00 H new ATOM 0 HB2 MET A 1 -9.460 1.383 0.725 1.00 50.00 H new ATOM 0 HB3 MET A 1 -8.202 1.503 1.938 1.00 50.00 H new ATOM 0 HG2 MET A 1 -8.603 -0.829 2.622 1.00 50.00 H new ATOM 0 HG3 MET A 1 -9.919 -0.960 1.473 1.00 50.00 H new ATOM 0 HE1 MET A 1 -6.962 -3.188 0.036 1.00 75.00 H new ATOM 0 HE2 MET A 1 -7.693 -2.992 1.647 1.00 75.00 H new ATOM 0 HE3 MET A 1 -8.732 -3.163 0.213 1.00 75.00 H new ATOM 20 N LYS A 2 -10.134 3.434 4.186 1.00 50.00 N ATOM 21 CA LYS A 2 -10.026 4.851 4.513 1.00 50.00 C ATOM 22 C LYS A 2 -8.999 5.086 5.614 1.00 50.00 C ATOM 23 O LYS A 2 -9.011 4.409 6.642 1.00 50.00 O ATOM 24 CB LYS A 2 -11.385 5.410 4.935 1.00 50.00 C ATOM 25 CG LYS A 2 -11.396 6.910 5.194 1.00 50.00 C ATOM 26 CD LYS A 2 -12.816 7.456 5.226 1.00 50.00 C ATOM 27 CE LYS A 2 -12.828 8.954 5.497 1.00 75.00 C ATOM 28 NZ LYS A 2 -14.157 9.559 5.210 1.00 75.00 N ATOM 0 H LYS A 2 -10.236 2.822 4.996 1.00 50.00 H new ATOM 0 HA LYS A 2 -9.692 5.374 3.617 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.115 5.183 4.158 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.711 4.895 5.839 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.902 7.121 6.142 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.826 7.419 4.417 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.307 7.253 4.274 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.389 6.940 5.997 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -12.563 9.137 6.538 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -12.068 9.440 4.885 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -14.183 10.531 5.579 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.317 9.574 4.182 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -14.901 8.995 5.668 1.00 75.00 H new ATOM 42 N ILE A 3 -8.110 6.049 5.391 1.00 50.00 N ATOM 43 CA ILE A 3 -6.911 6.188 6.209 1.00 50.00 C ATOM 44 C ILE A 3 -7.250 6.715 7.598 1.00 50.00 C ATOM 45 O ILE A 3 -7.972 7.702 7.739 1.00 50.00 O ATOM 46 CB ILE A 3 -5.885 7.127 5.550 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.408 6.546 4.217 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.707 7.365 6.484 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.608 7.518 3.379 1.00 50.00 C ATOM 0 H ILE A 3 -8.198 6.745 4.650 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.474 5.193 6.299 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.367 8.085 5.354 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.799 5.663 4.413 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.275 6.215 3.645 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.990 8.031 6.003 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -5.062 7.820 7.409 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.224 6.414 6.710 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.305 7.034 2.450 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -5.220 8.391 3.151 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.722 7.831 3.931 1.00 50.00 H new ATOM 61 N ILE A 4 -6.724 6.050 8.622 1.00 10.00 N ATOM 62 CA ILE A 4 -6.715 6.603 9.970 1.00 10.00 C ATOM 63 C ILE A 4 -5.361 7.215 10.304 1.00 10.00 C ATOM 64 O ILE A 4 -5.284 8.332 10.819 1.00 50.00 O ATOM 65 CB ILE A 4 -7.057 5.533 11.023 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.492 5.035 10.831 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.867 6.087 12.426 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.859 3.870 11.720 1.00 50.00 C ATOM 0 H ILE A 4 -6.298 5.127 8.543 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.479 7.380 9.995 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.379 4.690 10.893 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -9.181 5.858 11.024 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.629 4.742 9.790 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -7.113 5.317 13.158 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.830 6.395 12.558 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.522 6.947 12.569 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.890 3.575 11.526 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -8.196 3.030 11.512 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.756 4.163 12.765 1.00 50.00 H new ATOM 80 N SER A 5 -4.295 6.479 10.010 1.00 10.00 N ATOM 81 CA SER A 5 -2.940 6.956 10.262 1.00 10.00 C ATOM 82 C SER A 5 -1.916 6.141 9.485 1.00 10.00 C ATOM 83 O SER A 5 -2.006 4.915 9.415 1.00 50.00 O ATOM 84 CB SER A 5 -2.639 6.906 11.748 1.00 50.00 C ATOM 85 OG SER A 5 -1.321 7.294 12.030 1.00 50.00 O ATOM 0 H SER A 5 -4.343 5.548 9.596 1.00 10.00 H new ATOM 0 HA SER A 5 -2.873 7.989 9.920 1.00 10.00 H new ATOM 0 HB2 SER A 5 -3.331 7.559 12.280 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.806 5.894 12.118 1.00 50.00 H new ATOM 0 HG SER A 5 -1.167 7.250 12.997 1.00 50.00 H new ATOM 91 N ILE A 6 -0.941 6.828 8.899 1.00 10.00 N ATOM 92 CA ILE A 6 0.164 6.163 8.217 1.00 10.00 C ATOM 93 C ILE A 6 1.471 6.342 8.980 1.00 10.00 C ATOM 94 O ILE A 6 1.807 7.449 9.402 1.00 50.00 O ATOM 95 CB ILE A 6 0.341 6.691 6.782 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.914 6.413 5.952 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.564 6.062 6.133 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.892 7.047 4.580 1.00 50.00 C ATOM 0 H ILE A 6 -0.893 7.847 8.883 1.00 10.00 H new ATOM 0 HA ILE A 6 -0.085 5.103 8.175 1.00 10.00 H new ATOM 0 HB ILE A 6 0.492 7.770 6.824 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -1.034 5.335 5.842 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.786 6.777 6.496 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.675 6.445 5.119 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.452 6.310 6.714 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.442 4.979 6.100 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.815 6.805 4.053 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.804 8.129 4.680 1.00 50.00 H new ATOM 0 HD13 ILE A 6 -0.041 6.665 4.016 1.00 50.00 H new ATOM 110 N SER A 7 2.202 5.247 9.155 1.00 10.00 N ATOM 111 CA SER A 7 3.418 5.260 9.959 1.00 10.00 C ATOM 112 C SER A 7 4.518 4.434 9.304 1.00 10.00 C ATOM 113 O SER A 7 4.249 3.591 8.448 1.00 50.00 O ATOM 114 CB SER A 7 3.127 4.742 11.354 1.00 50.00 C ATOM 115 OG SER A 7 2.733 3.397 11.343 1.00 50.00 O ATOM 0 H SER A 7 1.974 4.339 8.751 1.00 10.00 H new ATOM 0 HA SER A 7 3.769 6.290 10.030 1.00 10.00 H new ATOM 0 HB2 SER A 7 4.016 4.854 11.975 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.342 5.346 11.809 1.00 50.00 H new ATOM 0 HG SER A 7 2.556 3.100 12.260 1.00 50.00 H new ATOM 121 N GLU A 8 5.758 4.681 9.713 1.00 10.00 N ATOM 122 CA GLU A 8 6.894 3.909 9.223 1.00 50.00 C ATOM 123 C GLU A 8 7.116 2.661 10.069 1.00 10.00 C ATOM 124 O GLU A 8 6.512 2.503 11.130 1.00 50.00 O ATOM 125 CB GLU A 8 8.161 4.767 9.212 1.00 50.00 C ATOM 126 CG GLU A 8 8.117 5.938 8.241 1.00 50.00 C ATOM 127 CD GLU A 8 9.358 6.780 8.344 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.154 6.527 9.216 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.568 7.602 7.483 1.00 50.00 O ATOM 0 H GLU A 8 6.002 5.410 10.383 1.00 10.00 H new ATOM 0 HA GLU A 8 6.669 3.596 8.203 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.335 5.150 10.217 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.012 4.134 8.961 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.012 5.565 7.222 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.240 6.552 8.448 1.00 50.00 H new ATOM 136 N THR A 9 7.984 1.776 9.591 1.00 50.00 N ATOM 137 CA THR A 9 8.243 0.513 10.273 1.00 10.00 C ATOM 138 C THR A 9 9.729 0.341 10.567 1.00 10.00 C ATOM 139 O THR A 9 10.568 1.045 10.005 1.00 50.00 O ATOM 140 CB THR A 9 7.754 -0.686 9.443 1.00 50.00 C ATOM 141 OG1 THR A 9 8.550 -0.810 8.258 1.00 50.00 O ATOM 142 CG2 THR A 9 6.294 -0.504 9.053 1.00 50.00 C ATOM 0 H THR A 9 8.520 1.910 8.734 1.00 50.00 H new ATOM 0 HA THR A 9 7.690 0.543 11.212 1.00 10.00 H new ATOM 0 HB THR A 9 7.849 -1.589 10.047 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.257 -0.149 7.596 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.965 -1.361 8.466 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.684 -0.424 9.953 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.186 0.404 8.460 1.00 50.00 H new ATOM 150 N PRO A 10 10.047 -0.598 11.451 1.00 50.00 N ATOM 151 CA PRO A 10 11.433 -0.884 11.800 1.00 50.00 C ATOM 152 C PRO A 10 12.258 -1.207 10.561 1.00 50.00 C ATOM 153 O PRO A 10 13.462 -0.951 10.523 1.00 50.00 O ATOM 154 CB PRO A 10 11.339 -2.076 12.758 1.00 50.00 C ATOM 155 CG PRO A 10 9.974 -1.973 13.346 1.00 50.00 C ATOM 156 CD PRO A 10 9.103 -1.436 12.243 1.00 50.00 C ATOM 0 HA PRO A 10 11.937 -0.033 12.258 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.474 -3.021 12.231 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.108 -2.028 13.529 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.619 -2.945 13.688 1.00 50.00 H new ATOM 0 HG3 PRO A 10 9.968 -1.309 14.210 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.672 -2.237 11.642 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.272 -0.849 12.634 1.00 50.00 H new ATOM 164 N ASN A 11 11.604 -1.768 9.551 1.00 50.00 N ATOM 165 CA ASN A 11 12.268 -2.085 8.291 1.00 50.00 C ATOM 166 C ASN A 11 12.075 -0.971 7.271 1.00 50.00 C ATOM 167 O ASN A 11 10.995 -0.387 7.172 1.00 50.00 O ATOM 168 CB ASN A 11 11.781 -3.407 7.725 1.00 50.00 C ATOM 169 CG ASN A 11 12.216 -4.605 8.522 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.240 -4.576 9.214 1.00 75.00 O ATOM 171 ND2 ASN A 11 11.491 -5.682 8.364 1.00 50.00 N ATOM 0 H ASN A 11 10.614 -2.013 9.579 1.00 50.00 H new ATOM 0 HA ASN A 11 13.333 -2.177 8.502 1.00 50.00 H new ATOM 0 HB2 ASN A 11 10.692 -3.391 7.675 1.00 50.00 H new ATOM 0 HB3 ASN A 11 12.145 -3.510 6.703 1.00 50.00 H new ATOM 0 HD21 ASN A 11 11.763 -6.551 8.823 1.00 50.00 H new ATOM 0 HD22 ASN A 11 10.654 -5.652 7.782 1.00 50.00 H new ATOM 178 N HIS A 12 13.126 -0.681 6.514 1.00 50.00 N ATOM 179 CA HIS A 12 13.103 0.421 5.559 1.00 50.00 C ATOM 180 C HIS A 12 12.568 -0.033 4.207 1.00 50.00 C ATOM 181 O HIS A 12 12.654 -1.209 3.857 1.00 50.00 O ATOM 182 CB HIS A 12 14.501 1.022 5.394 1.00 50.00 C ATOM 183 CG HIS A 12 14.516 2.301 4.613 1.00 50.00 C ATOM 184 ND1 HIS A 12 14.864 2.354 3.279 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.228 3.572 4.978 1.00 50.00 C ATOM 186 CE1 HIS A 12 14.788 3.604 2.858 1.00 75.00 C ATOM 187 NE2 HIS A 12 14.405 4.363 3.869 1.00 75.00 N ATOM 0 H HIS A 12 14.007 -1.195 6.543 1.00 50.00 H new ATOM 0 HA HIS A 12 12.434 1.186 5.953 1.00 50.00 H new ATOM 0 HB2 HIS A 12 14.928 1.203 6.380 1.00 50.00 H new ATOM 0 HB3 HIS A 12 15.144 0.295 4.897 1.00 50.00 H new ATOM 0 HD2 HIS A 12 13.917 3.903 5.958 1.00 50.00 H new ATOM 0 HE1 HIS A 12 15.003 3.947 1.857 1.00 75.00 H new ATOM 0 HE2 HIS A 12 14.264 5.372 3.832 1.00 75.00 H new ATOM 195 N ASN A 13 12.014 0.907 3.448 1.00 10.00 N ATOM 196 CA ASN A 13 11.433 0.600 2.147 1.00 10.00 C ATOM 197 C ASN A 13 10.071 -0.065 2.295 1.00 10.00 C ATOM 198 O ASN A 13 9.532 -0.617 1.336 1.00 50.00 O ATOM 199 CB ASN A 13 12.358 -0.275 1.321 1.00 50.00 C ATOM 200 CG ASN A 13 13.606 0.427 0.860 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.602 1.635 0.600 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.651 -0.339 0.681 1.00 50.00 N ATOM 0 H ASN A 13 11.955 1.890 3.713 1.00 10.00 H new ATOM 0 HA ASN A 13 11.299 1.546 1.622 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.640 -1.148 1.910 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.815 -0.641 0.450 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.515 0.056 0.310 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.602 -1.331 0.912 1.00 50.00 H new ATOM 209 N THR A 14 9.519 -0.009 3.503 1.00 10.00 N ATOM 210 CA THR A 14 8.172 -0.507 3.753 1.00 10.00 C ATOM 211 C THR A 14 7.488 0.288 4.857 1.00 10.00 C ATOM 212 O THR A 14 8.101 0.609 5.875 1.00 50.00 O ATOM 213 CB THR A 14 8.184 -1.998 4.139 1.00 50.00 C ATOM 214 OG1 THR A 14 6.843 -2.441 4.383 1.00 50.00 O ATOM 215 CG2 THR A 14 9.022 -2.217 5.389 1.00 50.00 C ATOM 0 H THR A 14 9.985 0.377 4.324 1.00 10.00 H new ATOM 0 HA THR A 14 7.614 -0.386 2.824 1.00 10.00 H new ATOM 0 HB THR A 14 8.618 -2.568 3.318 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.851 -3.390 4.627 1.00 50.00 H new ATOM 0 HG21 THR A 14 9.020 -3.276 5.648 1.00 50.00 H new ATOM 0 HG22 THR A 14 10.045 -1.891 5.203 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.602 -1.641 6.214 1.00 50.00 H new ATOM 223 N MET A 15 6.213 0.602 4.649 1.00 10.00 N ATOM 224 CA MET A 15 5.457 1.404 5.603 1.00 10.00 C ATOM 225 C MET A 15 4.126 0.746 5.943 1.00 10.00 C ATOM 226 O MET A 15 3.622 -0.085 5.189 1.00 50.00 O ATOM 227 CB MET A 15 5.224 2.806 5.045 1.00 50.00 C ATOM 228 CG MET A 15 6.485 3.649 4.915 1.00 50.00 C ATOM 229 SD MET A 15 6.147 5.323 4.336 1.00 50.00 S ATOM 230 CE MET A 15 5.227 5.982 5.724 1.00 50.00 C ATOM 0 H MET A 15 5.682 0.313 3.828 1.00 10.00 H new ATOM 0 HA MET A 15 6.042 1.478 6.520 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.756 2.720 4.064 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.518 3.328 5.691 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.986 3.698 5.882 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.173 3.162 4.224 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.247 6.317 5.385 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.104 5.207 6.480 1.00 50.00 H new ATOM 0 HE3 MET A 15 5.770 6.824 6.153 1.00 50.00 H new ATOM 240 N LYS A 16 3.561 1.122 7.086 1.00 10.00 N ATOM 241 CA LYS A 16 2.312 0.534 7.553 1.00 10.00 C ATOM 242 C LYS A 16 1.180 1.553 7.528 1.00 10.00 C ATOM 243 O LYS A 16 1.314 2.656 8.060 1.00 50.00 O ATOM 244 CB LYS A 16 2.479 -0.031 8.964 1.00 50.00 C ATOM 245 CG LYS A 16 1.224 -0.671 9.540 1.00 50.00 C ATOM 246 CD LYS A 16 1.437 -1.112 10.980 1.00 50.00 C ATOM 247 CE LYS A 16 0.159 -1.673 11.583 1.00 50.00 C ATOM 248 NZ LYS A 16 0.356 -2.122 12.988 1.00 50.00 N ATOM 0 H LYS A 16 3.950 1.832 7.706 1.00 10.00 H new ATOM 0 HA LYS A 16 2.054 -0.279 6.875 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.277 -0.773 8.953 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.800 0.772 9.628 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.398 0.038 9.494 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.941 -1.531 8.933 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.222 -1.868 11.018 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.781 -0.265 11.574 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.621 -0.912 11.551 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.189 -2.512 10.980 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.539 -2.497 13.361 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.082 -2.866 13.016 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.663 -1.317 13.570 1.00 50.00 H new ATOM 262 N ILE A 17 0.067 1.178 6.908 1.00 10.00 N ATOM 263 CA ILE A 17 -1.103 2.045 6.844 1.00 10.00 C ATOM 264 C ILE A 17 -2.255 1.479 7.667 1.00 10.00 C ATOM 265 O ILE A 17 -2.693 0.350 7.445 1.00 50.00 O ATOM 266 CB ILE A 17 -1.576 2.252 5.393 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.469 2.904 4.560 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.839 3.098 5.360 1.00 50.00 C ATOM 269 CD1 ILE A 17 0.311 1.927 3.711 1.00 50.00 C ATOM 0 H ILE A 17 -0.050 0.278 6.442 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.802 3.007 7.259 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.805 1.278 4.961 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.912 3.661 3.912 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.220 3.420 5.229 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.159 3.234 4.327 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.628 2.597 5.921 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.637 4.071 5.808 1.00 50.00 H new ATOM 0 HD11 ILE A 17 1.077 2.463 3.150 1.00 50.00 H new ATOM 0 HD12 ILE A 17 0.784 1.184 4.353 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -0.365 1.428 3.016 1.00 50.00 H new ATOM 281 N THR A 18 -2.739 2.269 8.619 1.00 10.00 N ATOM 282 CA THR A 18 -3.895 1.882 9.420 1.00 10.00 C ATOM 283 C THR A 18 -5.190 2.384 8.797 1.00 10.00 C ATOM 284 O THR A 18 -5.358 3.583 8.571 1.00 50.00 O ATOM 285 CB THR A 18 -3.788 2.417 10.860 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.627 1.866 11.494 1.00 50.00 O ATOM 287 CG2 THR A 18 -5.025 2.041 11.662 1.00 50.00 C ATOM 0 H THR A 18 -2.349 3.181 8.855 1.00 10.00 H new ATOM 0 HA THR A 18 -3.908 0.792 9.447 1.00 10.00 H new ATOM 0 HB THR A 18 -3.708 3.503 10.822 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.560 2.209 12.409 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.932 2.427 12.677 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.909 2.470 11.190 1.00 50.00 H new ATOM 0 HG23 THR A 18 -5.122 0.956 11.694 1.00 50.00 H new ATOM 295 N LEU A 19 -6.105 1.461 8.522 1.00 10.00 N ATOM 296 CA LEU A 19 -7.348 1.795 7.837 1.00 50.00 C ATOM 297 C LEU A 19 -8.554 1.568 8.740 1.00 10.00 C ATOM 298 O LEU A 19 -8.503 0.760 9.668 1.00 50.00 O ATOM 299 CB LEU A 19 -7.483 0.970 6.550 1.00 50.00 C ATOM 300 CG LEU A 19 -6.365 1.179 5.521 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.538 0.211 4.358 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.388 2.620 5.031 1.00 50.00 C ATOM 0 H LEU A 19 -6.009 0.475 8.763 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.317 2.853 7.578 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.517 -0.086 6.816 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.437 1.211 6.081 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.400 0.982 5.988 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -5.739 0.367 3.633 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.497 -0.813 4.728 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.502 0.385 3.880 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.593 2.768 4.300 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.352 2.831 4.568 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.235 3.294 5.874 1.00 50.00 H new ATOM 314 N SER A 20 -9.637 2.285 8.464 1.00 10.00 N ATOM 315 CA SER A 20 -10.865 2.147 9.238 1.00 10.00 C ATOM 316 C SER A 20 -11.675 0.942 8.778 1.00 50.00 C ATOM 317 O SER A 20 -11.993 0.057 9.571 1.00 50.00 O ATOM 318 CB SER A 20 -11.694 3.413 9.131 1.00 50.00 C ATOM 319 OG SER A 20 -12.906 3.308 9.826 1.00 50.00 O ATOM 0 H SER A 20 -9.690 2.969 7.709 1.00 10.00 H new ATOM 0 HA SER A 20 -10.592 1.988 10.281 1.00 10.00 H new ATOM 0 HB2 SER A 20 -11.123 4.254 9.524 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.896 3.627 8.081 1.00 50.00 H new ATOM 0 HG SER A 20 -13.409 4.144 9.734 1.00 50.00 H new ATOM 325 N GLU A 21 -12.005 0.914 7.490 1.00 50.00 N ATOM 326 CA GLU A 21 -12.719 -0.215 6.908 1.00 50.00 C ATOM 327 C GLU A 21 -12.023 -0.713 5.647 1.00 75.00 C ATOM 328 O GLU A 21 -12.421 -0.376 4.532 1.00 75.00 O ATOM 329 CB GLU A 21 -14.166 0.170 6.592 1.00 50.00 C ATOM 330 CG GLU A 21 -15.020 0.459 7.818 1.00 50.00 C ATOM 331 CD GLU A 21 -16.425 0.827 7.429 1.00 75.00 C ATOM 332 OE1 GLU A 21 -16.732 0.772 6.262 1.00 75.00 O ATOM 333 OE2 GLU A 21 -17.222 1.057 8.308 1.00 75.00 O ATOM 0 H GLU A 21 -11.789 1.661 6.830 1.00 50.00 H new ATOM 0 HA GLU A 21 -12.720 -1.022 7.640 1.00 50.00 H new ATOM 0 HB2 GLU A 21 -14.163 1.051 5.950 1.00 50.00 H new ATOM 0 HB3 GLU A 21 -14.628 -0.637 6.024 1.00 50.00 H new ATOM 0 HG2 GLU A 21 -15.037 -0.417 8.467 1.00 50.00 H new ATOM 0 HG3 GLU A 21 -14.574 1.272 8.391 1.00 50.00 H new ATOM 340 N SER A 22 -10.983 -1.520 5.831 1.00 75.00 N ATOM 341 CA SER A 22 -10.222 -2.057 4.710 1.00 75.00 C ATOM 342 C SER A 22 -10.989 -3.169 4.006 1.00 75.00 C ATOM 343 O SER A 22 -12.170 -3.391 4.278 1.00 75.00 O ATOM 344 CB SER A 22 -8.876 -2.564 5.187 1.00 75.00 C ATOM 345 OG SER A 22 -8.989 -3.759 5.910 1.00 75.00 O ATOM 0 H SER A 22 -10.648 -1.816 6.748 1.00 75.00 H new ATOM 0 HA SER A 22 -10.063 -1.253 3.992 1.00 75.00 H new ATOM 0 HB2 SER A 22 -8.223 -2.721 4.328 1.00 75.00 H new ATOM 0 HB3 SER A 22 -8.404 -1.806 5.812 1.00 75.00 H new ATOM 0 HG SER A 22 -8.363 -4.421 5.548 1.00 75.00 H new ATOM 351 N ARG A 23 -10.312 -3.867 3.101 1.00 75.00 N ATOM 352 CA ARG A 23 -10.923 -4.971 2.370 1.00 75.00 C ATOM 353 C ARG A 23 -11.864 -5.770 3.264 1.00 75.00 C ATOM 354 O ARG A 23 -11.519 -6.108 4.397 1.00 75.00 O ATOM 355 CB ARG A 23 -9.885 -5.867 1.710 1.00 75.00 C ATOM 356 CG ARG A 23 -10.457 -7.033 0.919 1.00 75.00 C ATOM 357 CD ARG A 23 -9.438 -7.989 0.414 1.00 75.00 C ATOM 358 NE ARG A 23 -9.987 -9.152 -0.262 1.00 75.00 N ATOM 359 CZ ARG A 23 -9.266 -10.222 -0.652 1.00 75.00 C ATOM 360 NH1 ARG A 23 -7.964 -10.264 -0.468 1.00 75.00 N ATOM 361 NH2 ARG A 23 -9.898 -11.219 -1.245 1.00 75.00 N ATOM 0 H ARG A 23 -9.338 -3.687 2.856 1.00 75.00 H new ATOM 0 HA ARG A 23 -11.517 -4.534 1.567 1.00 75.00 H new ATOM 0 HB2 ARG A 23 -9.273 -5.260 1.043 1.00 75.00 H new ATOM 0 HB3 ARG A 23 -9.222 -6.260 2.481 1.00 75.00 H new ATOM 0 HG2 ARG A 23 -11.163 -7.573 1.550 1.00 75.00 H new ATOM 0 HG3 ARG A 23 -11.021 -6.641 0.073 1.00 75.00 H new ATOM 0 HD2 ARG A 23 -8.775 -7.464 -0.273 1.00 75.00 H new ATOM 0 HD3 ARG A 23 -8.827 -8.326 1.252 1.00 75.00 H new ATOM 0 HE ARG A 23 -10.989 -9.159 -0.455 1.00 75.00 H new ATOM 0 HH11 ARG A 23 -7.486 -9.480 -0.025 1.00 75.00 H new ATOM 0 HH12 ARG A 23 -7.433 -11.081 -0.769 1.00 75.00 H new ATOM 0 HH21 ARG A 23 -10.905 -11.166 -1.397 1.00 75.00 H new ATOM 0 HH22 ARG A 23 -9.379 -12.042 -1.551 1.00 75.00 H new ATOM 375 N GLU A 24 -13.050 -6.070 2.747 1.00 75.00 N ATOM 376 CA GLU A 24 -14.051 -6.809 3.507 1.00 75.00 C ATOM 377 C GLU A 24 -13.418 -7.961 4.277 1.00 75.00 C ATOM 378 O GLU A 24 -13.541 -8.046 5.499 1.00 75.00 O ATOM 379 CB GLU A 24 -15.146 -7.338 2.578 1.00 75.00 C ATOM 380 CG GLU A 24 -16.288 -8.048 3.292 1.00 75.00 C ATOM 381 CD GLU A 24 -17.372 -8.444 2.328 1.00 75.00 C ATOM 382 OE1 GLU A 24 -17.229 -8.174 1.160 1.00 75.00 O ATOM 383 OE2 GLU A 24 -18.289 -9.114 2.740 1.00 75.00 O ATOM 0 H GLU A 24 -13.342 -5.813 1.804 1.00 75.00 H new ATOM 0 HA GLU A 24 -14.497 -6.122 4.226 1.00 75.00 H new ATOM 0 HB2 GLU A 24 -15.554 -6.505 2.006 1.00 75.00 H new ATOM 0 HB3 GLU A 24 -14.697 -8.027 1.862 1.00 75.00 H new ATOM 0 HG2 GLU A 24 -15.908 -8.935 3.799 1.00 75.00 H new ATOM 0 HG3 GLU A 24 -16.702 -7.395 4.060 1.00 75.00 H new ATOM 390 N GLY A 25 -12.741 -8.847 3.556 1.00 75.00 N ATOM 391 CA GLY A 25 -11.971 -9.916 4.179 1.00 75.00 C ATOM 392 C GLY A 25 -10.755 -9.363 4.911 1.00 50.00 C ATOM 393 O GLY A 25 -9.866 -8.773 4.298 1.00 75.00 O ATOM 0 H GLY A 25 -12.710 -8.846 2.536 1.00 75.00 H new ATOM 0 HA2 GLY A 25 -12.603 -10.463 4.879 1.00 75.00 H new ATOM 0 HA3 GLY A 25 -11.649 -10.627 3.418 1.00 75.00 H new ATOM 397 N MET A 26 -10.720 -9.559 6.225 1.00 50.00 N ATOM 398 CA MET A 26 -9.613 -9.078 7.043 1.00 50.00 C ATOM 399 C MET A 26 -8.515 -10.129 7.156 1.00 50.00 C ATOM 400 O MET A 26 -7.549 -9.954 7.900 1.00 50.00 O ATOM 401 CB MET A 26 -10.115 -8.687 8.432 1.00 50.00 C ATOM 402 CG MET A 26 -11.156 -7.578 8.435 1.00 50.00 C ATOM 403 SD MET A 26 -10.537 -6.041 7.723 1.00 50.00 S ATOM 404 CE MET A 26 -12.072 -5.196 7.354 1.00 50.00 C ATOM 0 H MET A 26 -11.447 -10.049 6.747 1.00 50.00 H new ATOM 0 HA MET A 26 -9.190 -8.199 6.557 1.00 50.00 H new ATOM 0 HB2 MET A 26 -10.539 -9.568 8.913 1.00 50.00 H new ATOM 0 HB3 MET A 26 -9.265 -8.372 9.037 1.00 50.00 H new ATOM 0 HG2 MET A 26 -12.032 -7.906 7.875 1.00 50.00 H new ATOM 0 HG3 MET A 26 -11.482 -7.394 9.459 1.00 50.00 H new ATOM 0 HE1 MET A 26 -11.855 -4.234 6.890 1.00 50.00 H new ATOM 0 HE2 MET A 26 -12.666 -5.803 6.670 1.00 50.00 H new ATOM 0 HE3 MET A 26 -12.631 -5.037 8.276 1.00 50.00 H new ATOM 414 N THR A 27 -8.668 -11.220 6.414 1.00 50.00 N ATOM 415 CA THR A 27 -7.629 -12.239 6.327 1.00 50.00 C ATOM 416 C THR A 27 -6.449 -11.754 5.496 1.00 50.00 C ATOM 417 O THR A 27 -6.546 -10.752 4.787 1.00 50.00 O ATOM 418 CB THR A 27 -8.169 -13.547 5.716 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.605 -13.306 4.373 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.336 -14.076 6.538 1.00 75.00 C ATOM 0 H THR A 27 -9.503 -11.422 5.863 1.00 50.00 H new ATOM 0 HA THR A 27 -7.296 -12.434 7.346 1.00 50.00 H new ATOM 0 HB THR A 27 -7.370 -14.289 5.717 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.946 -14.139 3.985 1.00 50.00 H new ATOM 0 HG21 THR A 27 -9.705 -15.000 6.093 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.004 -14.272 7.557 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.136 -13.335 6.553 1.00 75.00 H new ATOM 428 N SER A 28 -5.333 -12.469 5.587 1.00 10.00 N ATOM 429 CA SER A 28 -4.102 -12.056 4.926 1.00 10.00 C ATOM 430 C SER A 28 -4.179 -12.292 3.422 1.00 10.00 C ATOM 431 O SER A 28 -4.873 -13.199 2.962 1.00 50.00 O ATOM 432 CB SER A 28 -2.917 -12.798 5.515 1.00 50.00 C ATOM 433 OG SER A 28 -2.960 -14.169 5.231 1.00 50.00 O ATOM 0 H SER A 28 -5.256 -13.339 6.114 1.00 10.00 H new ATOM 0 HA SER A 28 -3.970 -10.987 5.093 1.00 10.00 H new ATOM 0 HB2 SER A 28 -1.993 -12.375 5.121 1.00 50.00 H new ATOM 0 HB3 SER A 28 -2.899 -12.652 6.595 1.00 50.00 H new ATOM 0 HG SER A 28 -2.179 -14.610 5.626 1.00 50.00 H new ATOM 439 N ASP A 29 -3.464 -11.471 2.661 1.00 10.00 N ATOM 440 CA ASP A 29 -3.324 -11.682 1.225 1.00 10.00 C ATOM 441 C ASP A 29 -2.140 -10.904 0.666 1.00 10.00 C ATOM 442 O ASP A 29 -1.697 -9.920 1.257 1.00 50.00 O ATOM 443 CB ASP A 29 -4.609 -11.281 0.497 1.00 50.00 C ATOM 444 CG ASP A 29 -4.794 -11.943 -0.861 1.00 50.00 C ATOM 445 OD1 ASP A 29 -3.926 -12.679 -1.264 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.866 -11.836 -1.410 1.00 50.00 O ATOM 0 H ASP A 29 -2.971 -10.651 3.016 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.141 -12.744 1.061 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.462 -11.529 1.128 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.615 -10.199 0.364 1.00 50.00 H new ATOM 451 N THR A 30 -1.630 -11.352 -0.475 1.00 10.00 N ATOM 452 CA THR A 30 -0.471 -10.723 -1.095 1.00 10.00 C ATOM 453 C THR A 30 -0.809 -10.186 -2.480 1.00 10.00 C ATOM 454 O THR A 30 -1.460 -10.862 -3.276 1.00 50.00 O ATOM 455 CB THR A 30 0.709 -11.706 -1.211 1.00 50.00 C ATOM 456 OG1 THR A 30 1.077 -12.170 0.094 1.00 50.00 O ATOM 457 CG2 THR A 30 1.907 -11.029 -1.858 1.00 50.00 C ATOM 0 H THR A 30 -2.002 -12.150 -0.990 1.00 10.00 H new ATOM 0 HA THR A 30 -0.181 -9.894 -0.449 1.00 10.00 H new ATOM 0 HB THR A 30 0.401 -12.547 -1.832 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.827 -12.797 0.019 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.731 -11.739 -1.931 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.635 -10.684 -2.856 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.215 -10.177 -1.251 1.00 50.00 H new ATOM 465 N TYR A 31 -0.362 -8.968 -2.761 1.00 10.00 N ATOM 466 CA TYR A 31 -0.659 -8.316 -4.032 1.00 10.00 C ATOM 467 C TYR A 31 0.620 -7.925 -4.762 1.00 10.00 C ATOM 468 O TYR A 31 1.327 -7.007 -4.346 1.00 50.00 O ATOM 469 CB TYR A 31 -1.535 -7.083 -3.810 1.00 50.00 C ATOM 470 CG TYR A 31 -2.831 -7.374 -3.085 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.930 -7.880 -3.765 1.00 50.00 C ATOM 472 CD2 TYR A 31 -2.951 -7.143 -1.722 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.115 -8.148 -3.107 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.131 -7.407 -1.055 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.212 -7.909 -1.752 1.00 50.00 C ATOM 476 OH TYR A 31 -6.390 -8.175 -1.092 1.00 50.00 O ATOM 0 H TYR A 31 0.208 -8.411 -2.125 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.202 -9.028 -4.653 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -0.969 -6.345 -3.241 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.764 -6.633 -4.776 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.858 -8.067 -4.826 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.108 -6.750 -1.174 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.961 -8.542 -3.651 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.208 -7.222 0.006 1.00 50.00 H new ATOM 0 HH TYR A 31 -7.112 -8.292 -1.745 1.00 50.00 H new ATOM 486 N THR A 32 0.910 -8.626 -5.853 1.00 10.00 N ATOM 487 CA THR A 32 2.084 -8.327 -6.664 1.00 10.00 C ATOM 488 C THR A 32 1.689 -7.934 -8.082 1.00 10.00 C ATOM 489 O THR A 32 2.385 -7.160 -8.739 1.00 50.00 O ATOM 490 CB THR A 32 3.049 -9.525 -6.725 1.00 50.00 C ATOM 491 OG1 THR A 32 2.389 -10.643 -7.334 1.00 50.00 O ATOM 492 CG2 THR A 32 3.509 -9.912 -5.327 1.00 50.00 C ATOM 0 H THR A 32 0.348 -9.405 -6.196 1.00 10.00 H new ATOM 0 HA THR A 32 2.590 -7.489 -6.185 1.00 10.00 H new ATOM 0 HB THR A 32 3.919 -9.241 -7.317 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.005 -11.404 -7.374 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.190 -10.760 -5.390 1.00 50.00 H new ATOM 0 HG22 THR A 32 4.022 -9.068 -4.866 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.644 -10.185 -4.722 1.00 50.00 H new ATOM 500 N LYS A 33 0.566 -8.472 -8.547 1.00 10.00 N ATOM 501 CA LYS A 33 0.046 -8.137 -9.867 1.00 50.00 C ATOM 502 C LYS A 33 -1.347 -7.529 -9.772 1.00 50.00 C ATOM 503 O LYS A 33 -2.011 -7.633 -8.741 1.00 50.00 O ATOM 504 CB LYS A 33 0.019 -9.376 -10.763 1.00 50.00 C ATOM 505 CG LYS A 33 1.393 -9.944 -11.093 1.00 50.00 C ATOM 506 CD LYS A 33 1.284 -11.185 -11.966 1.00 50.00 C ATOM 507 CE LYS A 33 2.655 -11.744 -12.308 1.00 75.00 C ATOM 508 NZ LYS A 33 2.565 -12.959 -13.164 1.00 75.00 N ATOM 0 H LYS A 33 -0.001 -9.142 -8.028 1.00 10.00 H new ATOM 0 HA LYS A 33 0.712 -7.396 -10.309 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.573 -10.150 -10.274 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.490 -9.125 -11.694 1.00 50.00 H new ATOM 0 HG2 LYS A 33 1.988 -9.188 -11.605 1.00 50.00 H new ATOM 0 HG3 LYS A 33 1.918 -10.191 -10.170 1.00 50.00 H new ATOM 0 HD2 LYS A 33 0.698 -11.945 -11.449 1.00 50.00 H new ATOM 0 HD3 LYS A 33 0.750 -10.940 -12.884 1.00 50.00 H new ATOM 0 HE2 LYS A 33 3.240 -10.981 -12.822 1.00 75.00 H new ATOM 0 HE3 LYS A 33 3.187 -11.987 -11.388 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 3.522 -13.308 -13.374 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 2.029 -13.697 -12.664 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 2.080 -12.722 -14.053 1.00 75.00 H new ATOM 522 N VAL A 34 -1.786 -6.893 -10.854 1.00 50.00 N ATOM 523 CA VAL A 34 -3.115 -6.295 -10.905 1.00 50.00 C ATOM 524 C VAL A 34 -4.160 -7.311 -11.348 1.00 50.00 C ATOM 525 O VAL A 34 -4.023 -7.938 -12.399 1.00 50.00 O ATOM 526 CB VAL A 34 -3.153 -5.086 -11.857 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.567 -4.531 -11.958 1.00 50.00 C ATOM 528 CG2 VAL A 34 -2.192 -4.005 -11.385 1.00 50.00 C ATOM 0 H VAL A 34 -1.240 -6.779 -11.708 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.347 -5.958 -9.895 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.840 -5.418 -12.847 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.575 -3.677 -12.635 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -5.235 -5.303 -12.340 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.905 -4.215 -10.971 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -2.232 -3.158 -12.070 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.476 -3.677 -10.385 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -1.178 -4.405 -11.361 1.00 50.00 H new ATOM 538 N ASP A 35 -5.204 -7.469 -10.541 1.00 50.00 N ATOM 539 CA ASP A 35 -6.277 -8.406 -10.852 1.00 50.00 C ATOM 540 C ASP A 35 -7.626 -7.870 -10.388 1.00 50.00 C ATOM 541 O ASP A 35 -7.693 -6.991 -9.530 1.00 50.00 O ATOM 542 CB ASP A 35 -6.003 -9.768 -10.213 1.00 50.00 C ATOM 543 CG ASP A 35 -6.747 -10.929 -10.860 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.430 -10.702 -11.830 1.00 50.00 O ATOM 545 OD2 ASP A 35 -6.505 -12.049 -10.480 1.00 50.00 O ATOM 0 H ASP A 35 -5.330 -6.960 -9.666 1.00 50.00 H new ATOM 0 HA ASP A 35 -6.312 -8.526 -11.935 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.933 -9.968 -10.259 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -6.274 -9.722 -9.158 1.00 50.00 H new ATOM 550 N ASP A 36 -8.699 -8.408 -10.960 1.00 50.00 N ATOM 551 CA ASP A 36 -10.042 -7.917 -10.680 1.00 50.00 C ATOM 552 C ASP A 36 -10.491 -8.309 -9.279 1.00 50.00 C ATOM 553 O ASP A 36 -11.255 -7.588 -8.637 1.00 50.00 O ATOM 554 CB ASP A 36 -11.034 -8.448 -11.718 1.00 50.00 C ATOM 555 CG ASP A 36 -10.918 -7.796 -13.089 1.00 50.00 C ATOM 556 OD1 ASP A 36 -10.261 -6.787 -13.193 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.351 -8.394 -14.047 1.00 50.00 O ATOM 0 H ASP A 36 -8.663 -9.184 -11.620 1.00 50.00 H new ATOM 0 HA ASP A 36 -10.017 -6.829 -10.738 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.887 -9.523 -11.826 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -12.047 -8.301 -11.343 1.00 50.00 H new ATOM 562 N SER A 37 -10.013 -9.457 -8.809 1.00 50.00 N ATOM 563 CA SER A 37 -10.363 -9.945 -7.481 1.00 50.00 C ATOM 564 C SER A 37 -9.796 -9.041 -6.393 1.00 50.00 C ATOM 565 O SER A 37 -10.212 -9.109 -5.237 1.00 50.00 O ATOM 566 CB SER A 37 -9.862 -11.365 -7.299 1.00 50.00 C ATOM 567 OG SER A 37 -8.464 -11.434 -7.291 1.00 50.00 O ATOM 0 H SER A 37 -9.382 -10.067 -9.329 1.00 50.00 H new ATOM 0 HA SER A 37 -11.449 -9.936 -7.392 1.00 50.00 H new ATOM 0 HB2 SER A 37 -10.250 -11.768 -6.364 1.00 50.00 H new ATOM 0 HB3 SER A 37 -10.251 -11.992 -8.102 1.00 50.00 H new ATOM 0 HG SER A 37 -8.183 -12.365 -7.170 1.00 50.00 H new ATOM 573 N GLN A 38 -8.848 -8.192 -6.772 1.00 50.00 N ATOM 574 CA GLN A 38 -8.170 -7.323 -5.817 1.00 50.00 C ATOM 575 C GLN A 38 -8.896 -5.992 -5.673 1.00 50.00 C ATOM 576 O GLN A 38 -9.533 -5.516 -6.612 1.00 50.00 O ATOM 577 CB GLN A 38 -6.722 -7.079 -6.249 1.00 50.00 C ATOM 578 CG GLN A 38 -5.928 -8.345 -6.515 1.00 50.00 C ATOM 579 CD GLN A 38 -4.656 -8.078 -7.298 1.00 50.00 C ATOM 580 OE1 GLN A 38 -4.473 -6.995 -7.862 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.770 -9.066 -7.339 1.00 50.00 N ATOM 0 H GLN A 38 -8.531 -8.087 -7.736 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.175 -7.825 -4.850 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.722 -6.468 -7.152 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.216 -6.503 -5.474 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.674 -8.817 -5.566 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.549 -9.051 -7.066 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.963 -9.944 -6.858 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.896 -8.947 -7.852 1.00 50.00 H new ATOM 590 N PRO A 39 -8.796 -5.396 -4.489 1.00 50.00 N ATOM 591 CA PRO A 39 -9.402 -4.094 -4.234 1.00 50.00 C ATOM 592 C PRO A 39 -8.990 -3.078 -5.293 1.00 50.00 C ATOM 593 O PRO A 39 -7.828 -3.024 -5.697 1.00 50.00 O ATOM 594 CB PRO A 39 -8.892 -3.712 -2.840 1.00 50.00 C ATOM 595 CG PRO A 39 -8.614 -5.015 -2.176 1.00 50.00 C ATOM 596 CD PRO A 39 -8.120 -5.924 -3.271 1.00 50.00 C ATOM 0 HA PRO A 39 -10.491 -4.119 -4.277 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.994 -3.097 -2.900 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.636 -3.136 -2.289 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.867 -4.904 -1.390 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.512 -5.417 -1.707 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.035 -5.886 -3.366 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.388 -6.964 -3.082 1.00 50.00 H new ATOM 604 N ALA A 40 -9.950 -2.276 -5.740 1.00 50.00 N ATOM 605 CA ALA A 40 -9.657 -1.141 -6.607 1.00 50.00 C ATOM 606 C ALA A 40 -8.540 -0.280 -6.030 1.00 50.00 C ATOM 607 O ALA A 40 -7.642 0.152 -6.751 1.00 50.00 O ATOM 608 CB ALA A 40 -10.911 -0.307 -6.830 1.00 50.00 C ATOM 0 H ALA A 40 -10.938 -2.391 -5.516 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.318 -1.529 -7.567 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.676 0.537 -7.479 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.679 -0.923 -7.298 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.277 0.063 -5.872 1.00 50.00 H new ATOM 614 N PHE A 41 -8.602 -0.037 -4.725 1.00 50.00 N ATOM 615 CA PHE A 41 -7.551 0.697 -4.033 1.00 50.00 C ATOM 616 C PHE A 41 -6.185 0.073 -4.286 1.00 50.00 C ATOM 617 O PHE A 41 -5.216 0.774 -4.577 1.00 50.00 O ATOM 618 CB PHE A 41 -7.837 0.749 -2.530 1.00 50.00 C ATOM 619 CG PHE A 41 -9.084 1.505 -2.176 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.074 2.889 -2.089 1.00 75.00 C ATOM 621 CD2 PHE A 41 -10.273 0.834 -1.929 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.221 3.587 -1.763 1.00 75.00 C ATOM 623 CE2 PHE A 41 -11.423 1.528 -1.603 1.00 75.00 C ATOM 624 CZ PHE A 41 -11.397 2.905 -1.519 1.00 75.00 C ATOM 0 H PHE A 41 -9.370 -0.338 -4.126 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.538 1.713 -4.427 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.921 -0.269 -2.150 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.988 1.209 -2.024 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.158 3.428 -2.279 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -10.300 -0.244 -1.992 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.198 4.665 -1.699 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -12.342 0.993 -1.414 1.00 75.00 H new ATOM 0 HZ PHE A 41 -12.294 3.448 -1.263 1.00 75.00 H new ATOM 634 N ILE A 42 -6.114 -1.248 -4.173 1.00 50.00 N ATOM 635 CA ILE A 42 -4.866 -1.969 -4.384 1.00 50.00 C ATOM 636 C ILE A 42 -4.398 -1.850 -5.828 1.00 10.00 C ATOM 637 O ILE A 42 -3.206 -1.694 -6.095 1.00 50.00 O ATOM 638 CB ILE A 42 -5.004 -3.459 -4.019 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.248 -3.620 -2.516 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.764 -4.228 -4.446 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.099 -3.142 -1.657 1.00 50.00 C ATOM 0 H ILE A 42 -6.908 -1.842 -3.936 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.126 -1.512 -3.727 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.862 -3.869 -4.552 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.148 -3.069 -2.242 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.439 -4.671 -2.299 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.878 -5.279 -4.181 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.634 -4.138 -5.524 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.890 -3.819 -3.940 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.346 -3.288 -0.605 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.201 -3.710 -1.902 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -3.921 -2.083 -1.844 1.00 50.00 H new ATOM 653 N ASN A 43 -5.342 -1.928 -6.759 1.00 10.00 N ATOM 654 CA ASN A 43 -5.018 -1.964 -8.180 1.00 10.00 C ATOM 655 C ASN A 43 -4.357 -0.666 -8.628 1.00 10.00 C ATOM 656 O ASN A 43 -3.325 -0.682 -9.298 1.00 50.00 O ATOM 657 CB ASN A 43 -6.246 -2.244 -9.024 1.00 50.00 C ATOM 658 CG ASN A 43 -6.717 -3.671 -8.954 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.959 -4.577 -8.587 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.934 -3.887 -9.382 1.00 50.00 N ATOM 0 H ASN A 43 -6.340 -1.968 -6.554 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.311 -2.781 -8.326 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -7.055 -1.588 -8.702 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -6.027 -1.994 -10.062 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -8.298 -4.839 -9.424 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.519 -3.104 -9.673 1.00 50.00 H new ATOM 667 N ASP A 44 -4.959 0.457 -8.252 1.00 10.00 N ATOM 668 CA ASP A 44 -4.401 1.767 -8.566 1.00 10.00 C ATOM 669 C ASP A 44 -2.976 1.900 -8.043 1.00 10.00 C ATOM 670 O ASP A 44 -2.076 2.327 -8.764 1.00 50.00 O ATOM 671 CB ASP A 44 -5.279 2.878 -7.986 1.00 50.00 C ATOM 672 CG ASP A 44 -6.598 3.084 -8.719 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.749 2.550 -9.792 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.498 3.638 -8.135 1.00 50.00 O ATOM 0 H ASP A 44 -5.834 0.486 -7.729 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.376 1.866 -9.651 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.490 2.650 -6.941 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.719 3.813 -8.002 1.00 50.00 H new ATOM 679 N ILE A 45 -2.777 1.528 -6.782 1.00 10.00 N ATOM 680 CA ILE A 45 -1.479 1.674 -6.135 1.00 10.00 C ATOM 681 C ILE A 45 -0.432 0.788 -6.797 1.00 10.00 C ATOM 682 O ILE A 45 0.711 1.202 -6.993 1.00 50.00 O ATOM 683 CB ILE A 45 -1.554 1.334 -4.636 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.415 2.361 -3.897 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.158 1.273 -4.035 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.782 1.951 -2.489 1.00 50.00 C ATOM 0 H ILE A 45 -3.500 1.123 -6.188 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.188 2.719 -6.246 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.019 0.354 -4.525 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.881 3.310 -3.861 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.329 2.531 -4.466 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.229 1.032 -2.974 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.424 0.505 -4.544 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.332 2.239 -4.155 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.392 2.729 -2.031 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.345 1.018 -2.517 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.874 1.810 -1.903 1.00 50.00 H new ATOM 698 N LEU A 46 -0.828 -0.433 -7.138 1.00 10.00 N ATOM 699 CA LEU A 46 0.057 -1.358 -7.836 1.00 10.00 C ATOM 700 C LEU A 46 0.620 -0.729 -9.105 1.00 10.00 C ATOM 701 O LEU A 46 1.795 -0.910 -9.431 1.00 50.00 O ATOM 702 CB LEU A 46 -0.688 -2.655 -8.168 1.00 50.00 C ATOM 703 CG LEU A 46 -0.903 -3.606 -6.983 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.815 -4.754 -7.395 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.441 -4.132 -6.502 1.00 50.00 C ATOM 0 H LEU A 46 -1.757 -0.806 -6.942 1.00 10.00 H new ATOM 0 HA LEU A 46 0.893 -1.590 -7.177 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.660 -2.399 -8.589 1.00 50.00 H new ATOM 0 HB3 LEU A 46 -0.134 -3.185 -8.943 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.381 -3.066 -6.166 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.962 -5.424 -6.548 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.778 -4.357 -7.715 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -1.358 -5.304 -8.218 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.287 -4.807 -5.660 1.00 50.00 H new ATOM 0 HD22 LEU A 46 0.933 -4.669 -7.313 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.067 -3.297 -6.188 1.00 50.00 H new ATOM 717 N LYS A 47 -0.224 0.006 -9.818 1.00 10.00 N ATOM 718 CA LYS A 47 0.163 0.592 -11.097 1.00 10.00 C ATOM 719 C LYS A 47 1.065 1.802 -10.898 1.00 10.00 C ATOM 720 O LYS A 47 1.762 2.227 -11.820 1.00 50.00 O ATOM 721 CB LYS A 47 -1.077 0.986 -11.902 1.00 50.00 C ATOM 722 CG LYS A 47 -1.901 -0.190 -12.406 1.00 50.00 C ATOM 723 CD LYS A 47 -3.090 0.278 -13.229 1.00 50.00 C ATOM 724 CE LYS A 47 -3.913 -0.897 -13.735 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.074 -0.453 -14.553 1.00 50.00 N ATOM 0 H LYS A 47 -1.182 0.211 -9.533 1.00 10.00 H new ATOM 0 HA LYS A 47 0.722 -0.161 -11.653 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.712 1.619 -11.282 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.765 1.587 -12.756 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.273 -0.844 -13.011 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.252 -0.780 -11.559 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.719 0.931 -12.624 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.739 0.869 -14.075 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.279 -1.553 -14.331 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.269 -1.482 -12.887 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.608 -1.284 -14.878 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.693 0.153 -13.977 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.734 0.083 -15.376 1.00 50.00 H new ATOM 739 N VAL A 48 1.049 2.355 -9.690 1.00 10.00 N ATOM 740 CA VAL A 48 1.918 3.473 -9.347 1.00 10.00 C ATOM 741 C VAL A 48 3.385 3.070 -9.410 1.00 10.00 C ATOM 742 O VAL A 48 3.806 2.122 -8.750 1.00 50.00 O ATOM 743 CB VAL A 48 1.607 4.021 -7.941 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.633 5.067 -7.537 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.205 4.610 -7.897 1.00 50.00 C ATOM 0 H VAL A 48 0.442 2.046 -8.931 1.00 10.00 H new ATOM 0 HA VAL A 48 1.727 4.255 -10.082 1.00 10.00 H new ATOM 0 HB VAL A 48 1.658 3.195 -7.232 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.397 5.443 -6.541 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.626 4.618 -7.530 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.612 5.891 -8.250 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.002 4.992 -6.897 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.129 5.423 -8.619 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.522 3.837 -8.144 1.00 50.00 H new ATOM 755 N GLU A 49 4.159 3.798 -10.209 1.00 10.00 N ATOM 756 CA GLU A 49 5.583 3.523 -10.353 1.00 10.00 C ATOM 757 C GLU A 49 6.310 3.675 -9.023 1.00 10.00 C ATOM 758 O GLU A 49 6.164 4.687 -8.337 1.00 50.00 O ATOM 759 CB GLU A 49 6.205 4.450 -11.400 1.00 50.00 C ATOM 760 CG GLU A 49 7.675 4.181 -11.685 1.00 50.00 C ATOM 761 CD GLU A 49 8.202 5.099 -12.751 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.439 5.883 -13.265 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.390 5.099 -12.974 1.00 50.00 O ATOM 0 H GLU A 49 3.823 4.583 -10.767 1.00 10.00 H new ATOM 0 HA GLU A 49 5.691 2.491 -10.685 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.644 4.356 -12.330 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.095 5.481 -11.065 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.254 4.311 -10.771 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.803 3.145 -11.999 1.00 50.00 H new ATOM 770 N GLY A 50 7.094 2.665 -8.663 1.00 10.00 N ATOM 771 CA GLY A 50 7.878 2.703 -7.435 1.00 10.00 C ATOM 772 C GLY A 50 7.378 1.672 -6.430 1.00 10.00 C ATOM 773 O GLY A 50 8.128 1.219 -5.566 1.00 50.00 O ATOM 0 H GLY A 50 7.203 1.808 -9.206 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.927 2.513 -7.664 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.823 3.699 -6.996 1.00 10.00 H new ATOM 777 N VAL A 51 6.106 1.307 -6.548 1.00 10.00 N ATOM 778 CA VAL A 51 5.516 0.294 -5.679 1.00 10.00 C ATOM 779 C VAL A 51 5.978 -1.102 -6.070 1.00 10.00 C ATOM 780 O VAL A 51 5.843 -1.512 -7.223 1.00 50.00 O ATOM 781 CB VAL A 51 3.977 0.345 -5.717 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.386 -0.776 -4.878 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.476 1.695 -5.228 1.00 50.00 C ATOM 0 H VAL A 51 5.463 1.697 -7.237 1.00 10.00 H new ATOM 0 HA VAL A 51 5.852 0.514 -4.666 1.00 10.00 H new ATOM 0 HB VAL A 51 3.654 0.210 -6.749 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.298 -0.724 -4.916 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.718 -1.737 -5.270 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.718 -0.671 -3.845 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.387 1.713 -5.262 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.810 1.858 -4.203 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.872 2.484 -5.868 1.00 50.00 H new ATOM 793 N LYS A 52 6.524 -1.831 -5.102 1.00 10.00 N ATOM 794 CA LYS A 52 7.088 -3.151 -5.362 1.00 10.00 C ATOM 795 C LYS A 52 6.057 -4.247 -5.127 1.00 10.00 C ATOM 796 O LYS A 52 5.778 -5.050 -6.018 1.00 50.00 O ATOM 797 CB LYS A 52 8.317 -3.389 -4.484 1.00 50.00 C ATOM 798 CG LYS A 52 8.990 -4.739 -4.697 1.00 50.00 C ATOM 799 CD LYS A 52 10.243 -4.874 -3.844 1.00 50.00 C ATOM 800 CE LYS A 52 10.938 -6.205 -4.089 1.00 50.00 C ATOM 801 NZ LYS A 52 12.210 -6.317 -3.323 1.00 50.00 N ATOM 0 H LYS A 52 6.588 -1.530 -4.130 1.00 10.00 H new ATOM 0 HA LYS A 52 7.388 -3.185 -6.409 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.044 -2.600 -4.676 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.023 -3.304 -3.438 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.292 -5.539 -4.450 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.250 -4.856 -5.749 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.928 -4.057 -4.069 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.979 -4.788 -2.790 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.271 -7.020 -3.807 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.144 -6.316 -5.153 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.652 -7.238 -3.517 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.857 -5.555 -3.610 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.011 -6.237 -2.305 1.00 50.00 H new ATOM 815 N SER A 53 5.492 -4.273 -3.925 1.00 10.00 N ATOM 816 CA SER A 53 4.440 -5.228 -3.595 1.00 10.00 C ATOM 817 C SER A 53 3.631 -4.761 -2.391 1.00 10.00 C ATOM 818 O SER A 53 4.107 -3.965 -1.583 1.00 50.00 O ATOM 819 CB SER A 53 5.041 -6.594 -3.328 1.00 50.00 C ATOM 820 OG SER A 53 5.807 -6.613 -2.156 1.00 50.00 O ATOM 0 H SER A 53 5.745 -3.644 -3.163 1.00 10.00 H new ATOM 0 HA SER A 53 3.764 -5.297 -4.447 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.243 -7.332 -3.251 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.665 -6.887 -4.173 1.00 50.00 H new ATOM 0 HG SER A 53 6.354 -5.801 -2.110 1.00 50.00 H new ATOM 826 N ILE A 54 2.406 -5.262 -2.279 1.00 10.00 N ATOM 827 CA ILE A 54 1.520 -4.880 -1.187 1.00 10.00 C ATOM 828 C ILE A 54 1.026 -6.102 -0.425 1.00 10.00 C ATOM 829 O ILE A 54 0.628 -7.101 -1.026 1.00 50.00 O ATOM 830 CB ILE A 54 0.307 -4.080 -1.696 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.771 -2.830 -2.450 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.604 -3.700 -0.538 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.324 -2.157 -3.244 1.00 50.00 C ATOM 0 H ILE A 54 2.004 -5.934 -2.932 1.00 10.00 H new ATOM 0 HA ILE A 54 2.104 -4.249 -0.516 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.258 -4.708 -2.385 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.180 -2.116 -1.735 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.581 -3.104 -3.126 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.456 -3.135 -0.916 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.959 -4.604 -0.042 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.051 -3.089 0.175 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.080 -1.280 -3.750 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.718 -2.854 -3.984 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.125 -1.851 -2.572 1.00 50.00 H new ATOM 845 N PHE A 55 1.055 -6.020 0.901 1.00 10.00 N ATOM 846 CA PHE A 55 0.524 -7.081 1.747 1.00 10.00 C ATOM 847 C PHE A 55 -0.596 -6.565 2.640 1.00 10.00 C ATOM 848 O PHE A 55 -0.446 -5.547 3.314 1.00 50.00 O ATOM 849 CB PHE A 55 1.638 -7.693 2.599 1.00 50.00 C ATOM 850 CG PHE A 55 1.160 -8.748 3.554 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.770 -9.996 3.095 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.098 -8.494 4.916 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.329 -10.968 3.973 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.658 -9.464 5.797 1.00 50.00 C ATOM 855 CZ PHE A 55 0.274 -10.702 5.325 1.00 50.00 C ATOM 0 H PHE A 55 1.442 -5.227 1.413 1.00 10.00 H new ATOM 0 HA PHE A 55 0.112 -7.852 1.096 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.390 -8.127 1.940 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.128 -6.900 3.164 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.811 -10.212 2.038 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.397 -7.527 5.293 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.027 -11.936 3.600 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.615 -9.253 6.855 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.069 -11.461 6.013 1.00 50.00 H new ATOM 865 N HIS A 56 -1.719 -7.274 2.642 1.00 10.00 N ATOM 866 CA HIS A 56 -2.841 -6.931 3.507 1.00 10.00 C ATOM 867 C HIS A 56 -3.060 -7.998 4.573 1.00 10.00 C ATOM 868 O HIS A 56 -2.947 -9.193 4.301 1.00 50.00 O ATOM 869 CB HIS A 56 -4.122 -6.741 2.687 1.00 50.00 C ATOM 870 CG HIS A 56 -5.337 -6.480 3.520 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.122 -7.493 4.028 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.904 -5.321 3.932 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.119 -6.970 4.719 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.009 -5.655 4.676 1.00 50.00 N ATOM 0 H HIS A 56 -1.877 -8.092 2.053 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.598 -5.992 4.004 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.981 -5.910 1.996 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.291 -7.632 2.083 1.00 50.00 H new ATOM 0 HD1 HIS A 56 -5.959 -8.491 3.892 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.553 -4.323 3.716 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.892 -7.523 5.231 1.00 50.00 H new ATOM 882 N VAL A 57 -3.375 -7.560 5.786 1.00 10.00 N ATOM 883 CA VAL A 57 -3.799 -8.468 6.844 1.00 10.00 C ATOM 884 C VAL A 57 -4.532 -7.723 7.952 1.00 10.00 C ATOM 885 O VAL A 57 -4.197 -6.582 8.272 1.00 50.00 O ATOM 886 CB VAL A 57 -2.602 -9.225 7.452 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.697 -8.266 8.210 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.085 -10.337 8.371 1.00 50.00 C ATOM 0 H VAL A 57 -3.345 -6.578 6.062 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.478 -9.187 6.386 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.030 -9.673 6.640 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.857 -8.816 8.633 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.324 -7.502 7.528 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.261 -7.791 9.013 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.226 -10.861 8.791 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.680 -9.909 9.178 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.696 -11.039 7.803 1.00 50.00 H new ATOM 898 N MET A 58 -5.532 -8.373 8.535 1.00 10.00 N ATOM 899 CA MET A 58 -6.412 -7.722 9.497 1.00 10.00 C ATOM 900 C MET A 58 -7.118 -6.522 8.876 1.00 10.00 C ATOM 901 O MET A 58 -7.775 -6.644 7.842 1.00 50.00 O ATOM 902 CB MET A 58 -5.619 -7.289 10.729 1.00 50.00 C ATOM 903 CG MET A 58 -4.897 -8.423 11.442 1.00 50.00 C ATOM 904 SD MET A 58 -6.022 -9.708 12.023 1.00 75.00 S ATOM 905 CE MET A 58 -6.901 -8.831 13.313 1.00 75.00 C ATOM 0 H MET A 58 -5.754 -9.353 8.358 1.00 10.00 H new ATOM 0 HA MET A 58 -7.173 -8.442 9.798 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.886 -6.539 10.430 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.298 -6.808 11.433 1.00 50.00 H new ATOM 0 HG2 MET A 58 -4.166 -8.865 10.765 1.00 50.00 H new ATOM 0 HG3 MET A 58 -4.344 -8.020 12.290 1.00 50.00 H new ATOM 0 HE1 MET A 58 -7.449 -9.544 13.930 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.189 -8.287 13.933 1.00 75.00 H new ATOM 0 HE3 MET A 58 -7.602 -8.128 12.863 1.00 75.00 H new ATOM 915 N ASP A 59 -6.975 -5.365 9.512 1.00 10.00 N ATOM 916 CA ASP A 59 -7.566 -4.133 9.003 1.00 10.00 C ATOM 917 C ASP A 59 -6.501 -3.071 8.757 1.00 10.00 C ATOM 918 O ASP A 59 -6.699 -1.897 9.066 1.00 50.00 O ATOM 919 CB ASP A 59 -8.622 -3.603 9.974 1.00 50.00 C ATOM 920 CG ASP A 59 -9.482 -2.476 9.415 1.00 50.00 C ATOM 921 OD1 ASP A 59 -9.933 -2.597 8.301 1.00 75.00 O ATOM 922 OD2 ASP A 59 -9.811 -1.582 10.157 1.00 50.00 O ATOM 0 H ASP A 59 -6.454 -5.254 10.382 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.045 -4.363 8.051 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -9.272 -4.427 10.270 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.123 -3.250 10.877 1.00 50.00 H new ATOM 927 N PHE A 60 -5.371 -3.494 8.199 1.00 10.00 N ATOM 928 CA PHE A 60 -4.311 -2.567 7.823 1.00 10.00 C ATOM 929 C PHE A 60 -3.520 -3.089 6.631 1.00 10.00 C ATOM 930 O PHE A 60 -3.612 -4.265 6.279 1.00 50.00 O ATOM 931 CB PHE A 60 -3.373 -2.319 9.007 1.00 50.00 C ATOM 932 CG PHE A 60 -2.565 -3.522 9.403 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.334 -3.771 8.817 1.00 50.00 C ATOM 934 CD2 PHE A 60 -3.036 -4.406 10.363 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.589 -4.878 9.180 1.00 50.00 C ATOM 936 CE2 PHE A 60 -2.293 -5.512 10.729 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.070 -5.749 10.135 1.00 50.00 C ATOM 0 H PHE A 60 -5.166 -4.473 7.998 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.778 -1.625 7.536 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.694 -1.504 8.756 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.963 -1.991 9.863 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -0.952 -3.093 8.068 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -3.994 -4.228 10.829 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.369 -5.060 8.716 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -2.669 -6.191 11.480 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.490 -6.615 10.418 1.00 50.00 H new ATOM 947 N ILE A 61 -2.744 -2.207 6.010 1.00 10.00 N ATOM 948 CA ILE A 61 -1.967 -2.567 4.830 1.00 10.00 C ATOM 949 C ILE A 61 -0.486 -2.276 5.035 1.00 10.00 C ATOM 950 O ILE A 61 -0.117 -1.237 5.582 1.00 50.00 O ATOM 951 CB ILE A 61 -2.459 -1.815 3.579 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.918 -2.171 3.282 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.576 -2.136 2.384 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.481 -1.477 2.063 1.00 50.00 C ATOM 0 H ILE A 61 -2.637 -1.236 6.305 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.106 -3.637 4.678 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.398 -0.744 3.772 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.998 -3.249 3.144 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.528 -1.915 4.148 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -1.938 -1.596 1.509 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.551 -1.835 2.598 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.606 -3.208 2.187 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.518 -1.780 1.918 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.435 -0.397 2.205 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -3.897 -1.753 1.185 1.00 50.00 H new ATOM 966 N SER A 62 0.359 -3.202 4.595 1.00 10.00 N ATOM 967 CA SER A 62 1.800 -2.969 4.558 1.00 10.00 C ATOM 968 C SER A 62 2.301 -2.848 3.124 1.00 10.00 C ATOM 969 O SER A 62 2.232 -3.803 2.349 1.00 50.00 O ATOM 970 CB SER A 62 2.526 -4.086 5.280 1.00 50.00 C ATOM 971 OG SER A 62 3.917 -3.940 5.208 1.00 50.00 O ATOM 0 H SER A 62 0.072 -4.121 4.259 1.00 10.00 H new ATOM 0 HA SER A 62 2.006 -2.026 5.065 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.217 -4.103 6.325 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.239 -5.044 4.847 1.00 50.00 H new ATOM 0 HG SER A 62 4.349 -4.678 5.686 1.00 50.00 H new ATOM 977 N VAL A 63 2.806 -1.670 2.777 1.00 10.00 N ATOM 978 CA VAL A 63 3.247 -1.398 1.414 1.00 10.00 C ATOM 979 C VAL A 63 4.758 -1.213 1.351 1.00 10.00 C ATOM 980 O VAL A 63 5.334 -0.462 2.139 1.00 50.00 O ATOM 981 CB VAL A 63 2.562 -0.145 0.838 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.050 0.125 -0.577 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.051 -0.308 0.856 1.00 50.00 C ATOM 0 H VAL A 63 2.920 -0.887 3.421 1.00 10.00 H new ATOM 0 HA VAL A 63 2.965 -2.263 0.814 1.00 10.00 H new ATOM 0 HB VAL A 63 2.824 0.709 1.463 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.556 1.014 -0.969 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.128 0.284 -0.566 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.816 -0.730 -1.212 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.584 0.587 0.445 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.771 -1.172 0.254 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.713 -0.456 1.882 1.00 50.00 H new ATOM 993 N ASP A 64 5.395 -1.900 0.410 1.00 10.00 N ATOM 994 CA ASP A 64 6.842 -1.821 0.250 1.00 10.00 C ATOM 995 C ASP A 64 7.216 -1.388 -1.161 1.00 10.00 C ATOM 996 O ASP A 64 6.545 -1.746 -2.129 1.00 50.00 O ATOM 997 CB ASP A 64 7.493 -3.167 0.577 1.00 50.00 C ATOM 998 CG ASP A 64 6.998 -4.329 -0.274 1.00 50.00 C ATOM 999 OD1 ASP A 64 7.259 -4.328 -1.453 1.00 50.00 O ATOM 1000 OD2 ASP A 64 6.503 -5.278 0.283 1.00 50.00 O ATOM 0 H ASP A 64 4.931 -2.519 -0.255 1.00 10.00 H new ATOM 0 HA ASP A 64 7.214 -1.070 0.948 1.00 10.00 H new ATOM 0 HB2 ASP A 64 8.572 -3.075 0.452 1.00 50.00 H new ATOM 0 HB3 ASP A 64 7.312 -3.399 1.627 1.00 50.00 H new ATOM 1005 N LYS A 65 8.292 -0.617 -1.273 1.00 10.00 N ATOM 1006 CA LYS A 65 8.661 0.007 -2.537 1.00 10.00 C ATOM 1007 C LYS A 65 9.950 -0.586 -3.090 1.00 10.00 C ATOM 1008 O LYS A 65 10.564 -1.449 -2.466 1.00 50.00 O ATOM 1009 CB LYS A 65 8.808 1.520 -2.366 1.00 50.00 C ATOM 1010 CG LYS A 65 9.949 1.938 -1.448 1.00 50.00 C ATOM 1011 CD LYS A 65 10.126 3.450 -1.440 1.00 50.00 C ATOM 1012 CE LYS A 65 11.169 3.881 -0.420 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.544 3.481 -0.826 1.00 50.00 N ATOM 0 H LYS A 65 8.925 -0.409 -0.501 1.00 10.00 H new ATOM 0 HA LYS A 65 7.862 -0.192 -3.251 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.961 1.972 -3.346 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.874 1.922 -1.972 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.751 1.587 -0.435 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.874 1.463 -1.774 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.424 3.788 -2.432 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.173 3.928 -1.213 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.128 4.963 -0.295 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.934 3.439 0.548 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.221 4.209 -0.522 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.788 2.574 -0.380 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.585 3.380 -1.860 1.00 50.00 H new ATOM 1027 N GLU A 66 10.355 -0.116 -4.265 1.00 10.00 N ATOM 1028 CA GLU A 66 11.642 -0.491 -4.838 1.00 10.00 C ATOM 1029 C GLU A 66 12.780 0.289 -4.193 1.00 10.00 C ATOM 1030 O GLU A 66 12.562 1.342 -3.595 1.00 50.00 O ATOM 1031 CB GLU A 66 11.642 -0.265 -6.351 1.00 50.00 C ATOM 1032 CG GLU A 66 10.674 -1.155 -7.119 1.00 50.00 C ATOM 1033 CD GLU A 66 10.792 -0.937 -8.603 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.531 -0.068 -8.999 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.230 -1.710 -9.342 1.00 50.00 O ATOM 0 H GLU A 66 9.809 0.526 -4.840 1.00 10.00 H new ATOM 0 HA GLU A 66 11.799 -1.551 -4.639 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.395 0.778 -6.551 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.650 -0.432 -6.731 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.875 -2.201 -6.886 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.653 -0.947 -6.799 1.00 50.00 H new ATOM 1042 N ASN A 67 13.995 -0.233 -4.318 1.00 10.00 N ATOM 1043 CA ASN A 67 15.166 0.400 -3.726 1.00 10.00 C ATOM 1044 C ASN A 67 15.431 1.763 -4.352 1.00 10.00 C ATOM 1045 O ASN A 67 15.795 2.716 -3.662 1.00 50.00 O ATOM 1046 CB ASN A 67 16.396 -0.480 -3.849 1.00 50.00 C ATOM 1047 CG ASN A 67 16.385 -1.667 -2.927 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.674 -1.687 -1.917 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.229 -2.622 -3.225 1.00 50.00 N ATOM 0 H ASN A 67 14.194 -1.095 -4.825 1.00 10.00 H new ATOM 0 HA ASN A 67 14.953 0.541 -2.666 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.479 -0.831 -4.878 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.283 0.120 -3.644 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.322 -3.431 -2.610 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.794 -2.558 -4.072 1.00 50.00 H new ATOM 1056 N ASP A 68 15.245 1.851 -5.665 1.00 10.00 N ATOM 1057 CA ASP A 68 15.431 3.107 -6.382 1.00 10.00 C ATOM 1058 C ASP A 68 14.335 4.107 -6.034 1.00 10.00 C ATOM 1059 O ASP A 68 14.598 5.298 -5.870 1.00 50.00 O ATOM 1060 CB ASP A 68 15.460 2.862 -7.893 1.00 50.00 C ATOM 1061 CG ASP A 68 16.732 2.194 -8.397 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.682 2.132 -7.654 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.694 1.615 -9.457 1.00 50.00 O ATOM 0 H ASP A 68 14.965 1.067 -6.254 1.00 10.00 H new ATOM 0 HA ASP A 68 16.388 3.529 -6.074 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.606 2.242 -8.165 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.337 3.816 -8.406 1.00 50.00 H new ATOM 1068 N ALA A 69 13.105 3.616 -5.926 1.00 10.00 N ATOM 1069 CA ALA A 69 11.960 4.472 -5.645 1.00 10.00 C ATOM 1070 C ALA A 69 12.093 5.140 -4.282 1.00 10.00 C ATOM 1071 O ALA A 69 12.828 4.665 -3.417 1.00 50.00 O ATOM 1072 CB ALA A 69 10.668 3.672 -5.722 1.00 50.00 C ATOM 0 H ALA A 69 12.876 2.627 -6.029 1.00 10.00 H new ATOM 0 HA ALA A 69 11.932 5.256 -6.402 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.822 4.326 -5.510 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.560 3.251 -6.722 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.696 2.865 -4.990 1.00 50.00 H new ATOM 1078 N ASN A 70 11.378 6.245 -4.098 1.00 10.00 N ATOM 1079 CA ASN A 70 11.307 6.905 -2.800 1.00 10.00 C ATOM 1080 C ASN A 70 9.862 7.105 -2.362 1.00 10.00 C ATOM 1081 O ASN A 70 8.955 7.171 -3.191 1.00 50.00 O ATOM 1082 CB ASN A 70 12.040 8.234 -2.812 1.00 50.00 C ATOM 1083 CG ASN A 70 13.516 8.110 -3.075 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.277 7.615 -2.236 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.933 8.629 -4.201 1.00 50.00 N ATOM 0 H ASN A 70 10.839 6.703 -4.833 1.00 10.00 H new ATOM 0 HA ASN A 70 11.799 6.251 -2.080 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.597 8.876 -3.574 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.892 8.729 -1.852 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.929 8.638 -4.421 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.262 9.025 -4.859 1.00 50.00 H new ATOM 1092 N TRP A 71 9.654 7.199 -1.053 1.00 10.00 N ATOM 1093 CA TRP A 71 8.323 7.432 -0.504 1.00 10.00 C ATOM 1094 C TRP A 71 7.841 8.844 -0.808 1.00 10.00 C ATOM 1095 O TRP A 71 6.641 9.115 -0.799 1.00 50.00 O ATOM 1096 CB TRP A 71 8.321 7.191 1.006 1.00 50.00 C ATOM 1097 CG TRP A 71 8.407 5.743 1.382 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.372 5.155 2.144 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.496 4.701 1.012 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.119 3.811 2.274 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.970 3.508 1.588 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.322 4.664 0.252 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.318 2.296 1.426 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.668 3.448 0.091 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.152 2.297 0.662 1.00 50.00 C ATOM 0 H TRP A 71 10.391 7.117 -0.352 1.00 10.00 H new ATOM 0 HA TRP A 71 7.638 6.729 -0.978 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.161 7.724 1.452 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.412 7.615 1.432 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.214 5.671 2.582 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.692 3.147 2.795 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.931 5.563 -0.201 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.697 1.389 1.873 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.761 3.408 -0.495 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.617 1.370 0.516 1.00 50.00 H new ATOM 1116 N GLU A 72 8.784 9.740 -1.079 1.00 10.00 N ATOM 1117 CA GLU A 72 8.453 11.108 -1.461 1.00 10.00 C ATOM 1118 C GLU A 72 7.550 11.136 -2.686 1.00 10.00 C ATOM 1119 O GLU A 72 6.654 11.974 -2.791 1.00 50.00 O ATOM 1120 CB GLU A 72 9.726 11.913 -1.728 1.00 50.00 C ATOM 1121 CG GLU A 72 10.546 12.228 -0.485 1.00 50.00 C ATOM 1122 CD GLU A 72 11.827 12.929 -0.838 1.00 50.00 C ATOM 1123 OE1 GLU A 72 12.089 13.098 -2.004 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.493 13.394 0.059 1.00 75.00 O ATOM 0 H GLU A 72 9.784 9.543 -1.041 1.00 10.00 H new ATOM 0 HA GLU A 72 7.914 11.563 -0.630 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.350 11.359 -2.429 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.453 12.849 -2.215 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.961 12.853 0.190 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.770 11.305 0.049 1.00 50.00 H new ATOM 1131 N THR A 73 7.789 10.214 -3.613 1.00 10.00 N ATOM 1132 CA THR A 73 6.933 10.062 -4.783 1.00 10.00 C ATOM 1133 C THR A 73 5.766 9.127 -4.495 1.00 10.00 C ATOM 1134 O THR A 73 4.610 9.459 -4.758 1.00 50.00 O ATOM 1135 CB THR A 73 7.719 9.528 -5.994 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.759 10.452 -6.337 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.797 9.339 -7.188 1.00 50.00 C ATOM 0 H THR A 73 8.571 9.560 -3.576 1.00 10.00 H new ATOM 0 HA THR A 73 6.549 11.054 -5.020 1.00 10.00 H new ATOM 0 HB THR A 73 8.154 8.564 -5.730 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.260 10.110 -7.107 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.371 8.961 -8.034 1.00 50.00 H new ATOM 0 HG22 THR A 73 6.013 8.626 -6.933 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.345 10.295 -7.454 1.00 50.00 H new ATOM 1145 N VAL A 74 6.075 7.954 -3.952 1.00 10.00 N ATOM 1146 CA VAL A 74 5.115 6.857 -3.899 1.00 10.00 C ATOM 1147 C VAL A 74 3.985 7.161 -2.924 1.00 10.00 C ATOM 1148 O VAL A 74 2.809 7.030 -3.262 1.00 50.00 O ATOM 1149 CB VAL A 74 5.790 5.534 -3.490 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.745 4.457 -3.244 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.774 5.085 -4.560 1.00 50.00 C ATOM 0 H VAL A 74 6.984 7.738 -3.542 1.00 10.00 H new ATOM 0 HA VAL A 74 4.706 6.750 -4.903 1.00 10.00 H new ATOM 0 HB VAL A 74 6.340 5.700 -2.563 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.239 3.529 -2.956 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.076 4.775 -2.444 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.169 4.294 -4.155 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.242 4.149 -4.255 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.245 4.936 -5.501 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.541 5.848 -4.692 1.00 50.00 H new ATOM 1161 N LEU A 75 4.349 7.569 -1.714 1.00 10.00 N ATOM 1162 CA LEU A 75 3.424 7.540 -0.585 1.00 10.00 C ATOM 1163 C LEU A 75 2.252 8.485 -0.811 1.00 50.00 C ATOM 1164 O LEU A 75 1.098 8.120 -0.590 1.00 50.00 O ATOM 1165 CB LEU A 75 4.159 7.903 0.710 1.00 50.00 C ATOM 1166 CG LEU A 75 3.294 7.888 1.976 1.00 50.00 C ATOM 1167 CD1 LEU A 75 2.762 6.484 2.229 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.115 8.373 3.161 1.00 50.00 C ATOM 0 H LEU A 75 5.278 7.924 -1.488 1.00 10.00 H new ATOM 0 HA LEU A 75 3.028 6.528 -0.496 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.987 7.207 0.846 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.593 8.897 0.597 1.00 50.00 H new ATOM 0 HG LEU A 75 2.444 8.557 1.841 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.149 6.484 3.130 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.158 6.165 1.379 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.598 5.796 2.359 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.498 8.362 4.060 1.00 50.00 H new ATOM 0 HD22 LEU A 75 4.974 7.717 3.302 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.462 9.389 2.972 1.00 50.00 H new ATOM 1180 N PRO A 76 2.553 9.700 -1.254 1.00 50.00 N ATOM 1181 CA PRO A 76 1.521 10.682 -1.563 1.00 50.00 C ATOM 1182 C PRO A 76 0.442 10.083 -2.457 1.00 50.00 C ATOM 1183 O PRO A 76 -0.748 10.318 -2.252 1.00 50.00 O ATOM 1184 CB PRO A 76 2.278 11.819 -2.257 1.00 50.00 C ATOM 1185 CG PRO A 76 3.646 11.767 -1.665 1.00 50.00 C ATOM 1186 CD PRO A 76 3.946 10.304 -1.481 1.00 50.00 C ATOM 0 HA PRO A 76 0.992 11.030 -0.676 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.307 11.677 -3.337 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.802 12.783 -2.075 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.377 12.238 -2.322 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.683 12.298 -0.714 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.434 9.877 -2.357 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.606 10.130 -0.631 1.00 50.00 H new ATOM 1194 N LYS A 77 0.867 9.309 -3.451 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.061 8.695 -4.393 1.00 50.00 C ATOM 1196 C LYS A 77 -0.883 7.602 -3.725 1.00 50.00 C ATOM 1197 O LYS A 77 -2.092 7.503 -3.934 1.00 50.00 O ATOM 1198 CB LYS A 77 0.696 8.126 -5.594 1.00 50.00 C ATOM 1199 CG LYS A 77 1.291 9.178 -6.520 1.00 50.00 C ATOM 1200 CD LYS A 77 2.019 8.536 -7.691 1.00 50.00 C ATOM 1201 CE LYS A 77 2.625 9.586 -8.610 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.342 8.972 -9.760 1.00 50.00 N ATOM 0 H LYS A 77 1.849 9.092 -3.624 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.745 9.469 -4.740 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.498 7.484 -5.231 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.018 7.495 -6.169 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.499 9.827 -6.893 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.982 9.808 -5.961 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.805 7.880 -7.317 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.325 7.913 -8.255 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.837 10.241 -8.982 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.316 10.209 -8.043 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.740 9.722 -10.361 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.111 8.367 -9.407 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.677 8.398 -10.317 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.219 6.779 -2.919 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.908 5.787 -2.101 1.00 50.00 C ATOM 1218 C VAL A 78 -2.005 6.430 -1.262 1.00 50.00 C ATOM 1219 O VAL A 78 -3.152 5.986 -1.278 1.00 50.00 O ATOM 1220 CB VAL A 78 0.071 5.047 -1.168 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.693 4.171 -0.184 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.047 4.208 -1.978 1.00 50.00 C ATOM 0 H VAL A 78 0.796 6.780 -2.815 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.355 5.069 -2.788 1.00 50.00 H new ATOM 0 HB VAL A 78 0.638 5.788 -0.605 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.012 3.655 0.468 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.356 4.793 0.418 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.283 3.437 -0.733 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.731 3.693 -1.303 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.495 3.474 -2.566 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.616 4.855 -2.646 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.645 7.479 -0.531 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.615 8.237 0.250 1.00 50.00 C ATOM 1234 C GLU A 79 -3.781 8.696 -0.617 1.00 50.00 C ATOM 1235 O GLU A 79 -4.943 8.559 -0.233 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.945 9.444 0.911 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.888 10.320 1.723 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.160 11.481 2.339 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.970 11.578 2.155 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.808 12.334 2.900 1.00 50.00 O ATOM 0 H GLU A 79 -0.688 7.824 -0.463 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.005 7.579 1.027 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.147 9.089 1.563 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.478 10.054 0.138 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.688 10.689 1.081 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.357 9.725 2.507 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.465 9.242 -1.785 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.485 9.730 -2.706 1.00 50.00 C ATOM 1249 C ALA A 80 -5.493 8.637 -3.038 1.00 50.00 C ATOM 1250 O ALA A 80 -6.697 8.888 -3.100 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.842 10.267 -3.975 1.00 50.00 C ATOM 0 H ALA A 80 -2.508 9.358 -2.118 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.021 10.543 -2.216 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.617 10.627 -4.651 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.170 11.088 -3.723 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.277 9.472 -4.461 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.996 7.424 -3.252 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.841 6.310 -3.664 1.00 50.00 C ATOM 1259 C VAL A 81 -6.849 5.954 -2.578 1.00 50.00 C ATOM 1260 O VAL A 81 -8.040 5.799 -2.850 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.006 5.063 -4.006 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.908 3.853 -4.198 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.170 5.305 -5.253 1.00 50.00 C ATOM 0 H VAL A 81 -4.010 7.187 -3.147 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.374 6.633 -4.558 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.332 4.863 -3.173 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.300 2.981 -4.439 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.465 3.665 -3.280 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.606 4.045 -5.013 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.587 4.412 -5.479 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.827 5.532 -6.093 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.497 6.145 -5.082 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.364 5.822 -1.348 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.229 5.532 -0.211 1.00 50.00 C ATOM 1275 C PHE A 82 -8.245 6.645 0.006 1.00 50.00 C ATOM 1276 O PHE A 82 -9.332 6.411 0.535 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.396 5.325 1.054 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.495 4.123 0.997 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.847 3.010 0.251 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.294 4.105 1.692 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.018 1.904 0.198 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.464 3.002 1.639 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.828 1.901 0.891 1.00 50.00 C ATOM 0 H PHE A 82 -5.375 5.911 -1.113 1.00 50.00 H new ATOM 0 HA PHE A 82 -7.773 4.614 -0.431 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -5.790 6.214 1.228 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.067 5.225 1.907 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -6.779 3.006 -0.295 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.005 4.963 2.281 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -5.304 1.042 -0.387 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.531 3.001 2.183 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.180 1.038 0.849 1.00 50.00 H new ATOM 1293 N GLU A 83 -7.887 7.856 -0.404 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.744 9.018 -0.206 1.00 50.00 C ATOM 1295 C GLU A 83 -9.812 9.107 -1.290 1.00 50.00 C ATOM 1296 O GLU A 83 -10.724 9.930 -1.210 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.910 10.300 -0.182 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.039 10.462 1.055 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.875 10.607 2.296 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -8.719 11.471 2.323 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -7.748 9.787 3.173 1.00 75.00 O ATOM 0 H GLU A 83 -7.006 8.059 -0.877 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.244 8.903 0.756 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.272 10.320 -1.066 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.581 11.156 -0.254 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.382 9.598 1.155 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.400 11.337 0.940 1.00 50.00 H new ATOM 1308 N LEU A 84 -9.691 8.256 -2.302 1.00 50.00 N ATOM 1309 CA LEU A 84 -10.669 8.208 -3.383 1.00 75.00 C ATOM 1310 C LEU A 84 -12.030 7.752 -2.875 1.00 75.00 C ATOM 1311 O LEU A 84 -13.066 8.223 -3.340 1.00 75.00 O ATOM 1312 CB LEU A 84 -10.178 7.280 -4.501 1.00 75.00 C ATOM 1313 CG LEU A 84 -8.964 7.791 -5.288 1.00 75.00 C ATOM 1314 CD1 LEU A 84 -8.509 6.736 -6.289 1.00 75.00 C ATOM 1315 CD2 LEU A 84 -9.327 9.086 -5.998 1.00 75.00 C ATOM 0 H LEU A 84 -8.925 7.589 -2.397 1.00 50.00 H new ATOM 0 HA LEU A 84 -10.781 9.216 -3.783 1.00 75.00 H new ATOM 0 HB2 LEU A 84 -9.927 6.313 -4.065 1.00 75.00 H new ATOM 0 HB3 LEU A 84 -10.999 7.112 -5.199 1.00 75.00 H new ATOM 0 HG LEU A 84 -8.141 7.987 -4.601 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -7.647 7.108 -6.843 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -8.234 5.825 -5.758 1.00 75.00 H new ATOM 0 HD13 LEU A 84 -9.321 6.519 -6.984 1.00 75.00 H new ATOM 0 HD21 LEU A 84 -8.464 9.449 -6.557 1.00 75.00 H new ATOM 0 HD22 LEU A 84 -10.154 8.905 -6.684 1.00 75.00 H new ATOM 0 HD23 LEU A 84 -9.623 9.834 -5.262 1.00 75.00 H new ATOM 1327 N GLU A 85 -12.020 6.830 -1.916 1.00 75.00 N ATOM 1328 CA GLU A 85 -13.252 6.245 -1.403 1.00 75.00 C ATOM 1329 C GLU A 85 -14.082 5.637 -2.526 1.00 75.00 C ATOM 1330 O GLU A 85 -15.305 5.778 -2.553 1.00 75.00 O ATOM 1331 CB GLU A 85 -14.073 7.297 -0.653 1.00 75.00 C ATOM 1332 CG GLU A 85 -13.385 7.874 0.574 1.00 75.00 C ATOM 1333 CD GLU A 85 -14.265 8.869 1.278 1.00 75.00 C ATOM 1334 OE1 GLU A 85 -15.336 9.135 0.790 1.00 75.00 O ATOM 1335 OE2 GLU A 85 -13.916 9.279 2.361 1.00 75.00 O ATOM 0 H GLU A 85 -11.170 6.473 -1.479 1.00 75.00 H new ATOM 0 HA GLU A 85 -12.980 5.448 -0.711 1.00 75.00 H new ATOM 0 HB2 GLU A 85 -14.310 8.111 -1.338 1.00 75.00 H new ATOM 0 HB3 GLU A 85 -15.020 6.851 -0.348 1.00 75.00 H new ATOM 0 HG2 GLU A 85 -13.124 7.068 1.260 1.00 75.00 H new ATOM 0 HG3 GLU A 85 -12.453 8.355 0.278 1.00 75.00 H new ATOM 1342 N HIS A 86 -13.411 4.958 -3.450 1.00 75.00 N ATOM 1343 CA HIS A 86 -14.091 4.274 -4.543 1.00 75.00 C ATOM 1344 C HIS A 86 -14.366 2.817 -4.195 1.00 75.00 C ATOM 1345 O HIS A 86 -13.462 2.085 -3.791 1.00 75.00 O ATOM 1346 CB HIS A 86 -13.266 4.359 -5.832 1.00 75.00 C ATOM 1347 CG HIS A 86 -13.159 5.745 -6.388 1.00 75.00 C ATOM 1348 ND1 HIS A 86 -12.365 6.052 -7.472 1.00 75.00 N ATOM 1349 CD2 HIS A 86 -13.743 6.905 -6.010 1.00 75.00 C ATOM 1350 CE1 HIS A 86 -12.468 7.342 -7.738 1.00 75.00 C ATOM 1351 NE2 HIS A 86 -13.298 7.883 -6.865 1.00 75.00 N ATOM 0 H HIS A 86 -12.395 4.867 -3.463 1.00 75.00 H new ATOM 0 HA HIS A 86 -15.046 4.775 -4.702 1.00 75.00 H new ATOM 0 HB2 HIS A 86 -12.264 3.977 -5.637 1.00 75.00 H new ATOM 0 HB3 HIS A 86 -13.715 3.709 -6.583 1.00 75.00 H new ATOM 0 HD2 HIS A 86 -14.431 7.037 -5.188 1.00 75.00 H new ATOM 0 HE1 HIS A 86 -11.960 7.865 -8.534 1.00 75.00 H new ATOM 0 HE2 HIS A 86 -13.565 8.867 -6.831 1.00 75.00 H new ATOM 1359 N HIS A 87 -15.618 2.402 -4.354 1.00 75.00 N ATOM 1360 CA HIS A 87 -16.023 1.043 -4.016 1.00 75.00 C ATOM 1361 C HIS A 87 -16.796 0.397 -5.159 1.00 75.00 C ATOM 1362 O HIS A 87 -17.143 -0.781 -5.100 1.00 75.00 O ATOM 1363 CB HIS A 87 -16.869 1.031 -2.740 1.00 75.00 C ATOM 1364 CG HIS A 87 -16.166 1.600 -1.547 1.00 75.00 C ATOM 1365 ND1 HIS A 87 -15.160 0.928 -0.886 1.00 75.00 N ATOM 1366 CD2 HIS A 87 -16.324 2.777 -0.895 1.00 75.00 C ATOM 1367 CE1 HIS A 87 -14.728 1.668 0.121 1.00 75.00 C ATOM 1368 NE2 HIS A 87 -15.419 2.794 0.136 1.00 75.00 N ATOM 0 H HIS A 87 -16.370 2.988 -4.715 1.00 75.00 H new ATOM 0 HA HIS A 87 -15.116 0.463 -3.844 1.00 75.00 H new ATOM 0 HB2 HIS A 87 -17.784 1.597 -2.916 1.00 75.00 H new ATOM 0 HB3 HIS A 87 -17.166 0.005 -2.521 1.00 75.00 H new ATOM 0 HD2 HIS A 87 -17.030 3.556 -1.141 1.00 75.00 H new ATOM 0 HE1 HIS A 87 -13.944 1.398 0.813 1.00 75.00 H new ATOM 0 HE2 HIS A 87 -15.299 3.554 0.806 1.00 75.00 H new ATOM 1376 N HIS A 88 -17.064 1.179 -6.200 1.00 75.00 N ATOM 1377 CA HIS A 88 -17.786 0.681 -7.366 1.00 75.00 C ATOM 1378 C HIS A 88 -17.054 1.030 -8.656 1.00 75.00 C ATOM 1379 O HIS A 88 -16.162 1.877 -8.666 1.00 75.00 O ATOM 1380 CB HIS A 88 -19.209 1.247 -7.403 1.00 75.00 C ATOM 1381 CG HIS A 88 -20.029 0.890 -6.201 1.00 75.00 C ATOM 1382 ND1 HIS A 88 -20.581 -0.360 -6.021 1.00 75.00 N ATOM 1383 CD2 HIS A 88 -20.390 1.621 -5.120 1.00 75.00 C ATOM 1384 CE1 HIS A 88 -21.247 -0.383 -4.881 1.00 75.00 C ATOM 1385 NE2 HIS A 88 -21.146 0.805 -4.316 1.00 75.00 N ATOM 0 H HIS A 88 -16.792 2.160 -6.260 1.00 75.00 H new ATOM 0 HA HIS A 88 -17.839 -0.405 -7.283 1.00 75.00 H new ATOM 0 HB2 HIS A 88 -19.157 2.332 -7.487 1.00 75.00 H new ATOM 0 HB3 HIS A 88 -19.713 0.882 -8.298 1.00 75.00 H new ATOM 0 HD2 HIS A 88 -20.132 2.652 -4.927 1.00 75.00 H new ATOM 0 HE1 HIS A 88 -21.783 -1.230 -4.479 1.00 75.00 H new ATOM 0 HE2 HIS A 88 -21.563 1.074 -3.425 1.00 75.00 H new ATOM 1393 N HIS A 89 -17.437 0.369 -9.743 1.00 75.00 N ATOM 1394 CA HIS A 89 -16.854 0.644 -11.052 1.00 75.00 C ATOM 1395 C HIS A 89 -17.344 1.977 -11.603 1.00 75.00 C ATOM 1396 O HIS A 89 -18.290 2.564 -11.083 1.00 75.00 O ATOM 1397 CB HIS A 89 -17.182 -0.482 -12.038 1.00 75.00 C ATOM 1398 CG HIS A 89 -18.630 -0.557 -12.405 1.00 75.00 C ATOM 1399 ND1 HIS A 89 -19.193 0.244 -13.376 1.00 75.00 N ATOM 1400 CD2 HIS A 89 -19.631 -1.337 -11.934 1.00 75.00 C ATOM 1401 CE1 HIS A 89 -20.480 -0.041 -13.486 1.00 75.00 C ATOM 1402 NE2 HIS A 89 -20.770 -0.997 -12.622 1.00 75.00 N ATOM 0 H HIS A 89 -18.149 -0.361 -9.744 1.00 75.00 H new ATOM 0 HA HIS A 89 -15.773 0.700 -10.927 1.00 75.00 H new ATOM 0 HB2 HIS A 89 -16.593 -0.342 -12.945 1.00 75.00 H new ATOM 0 HB3 HIS A 89 -16.877 -1.434 -11.603 1.00 75.00 H new ATOM 0 HD1 HIS A 89 -18.695 0.946 -13.923 1.00 75.00 H new ATOM 0 HD2 HIS A 89 -19.549 -2.087 -11.161 1.00 75.00 H new ATOM 0 HE1 HIS A 89 -21.175 0.428 -14.166 1.00 75.00 H new ATOM 1410 N HIS A 90 -16.693 2.448 -12.661 1.00 75.00 N ATOM 1411 CA HIS A 90 -17.075 3.701 -13.301 1.00 75.00 C ATOM 1412 C HIS A 90 -18.103 3.467 -14.401 1.00 75.00 C ATOM 1413 O HIS A 90 -18.142 2.397 -15.008 1.00 75.00 O ATOM 1414 CB HIS A 90 -15.847 4.413 -13.875 1.00 75.00 C ATOM 1415 CG HIS A 90 -14.938 4.984 -12.829 1.00 75.00 C ATOM 1416 ND1 HIS A 90 -15.192 6.183 -12.197 1.00 75.00 N ATOM 1417 CD2 HIS A 90 -13.778 4.520 -12.307 1.00 75.00 C ATOM 1418 CE1 HIS A 90 -14.226 6.431 -11.329 1.00 75.00 C ATOM 1419 NE2 HIS A 90 -13.357 5.438 -11.378 1.00 75.00 N ATOM 0 H HIS A 90 -15.897 1.980 -13.094 1.00 75.00 H new ATOM 0 HA HIS A 90 -17.526 4.336 -12.539 1.00 75.00 H new ATOM 0 HB2 HIS A 90 -15.284 3.710 -14.488 1.00 75.00 H new ATOM 0 HB3 HIS A 90 -16.178 5.216 -14.533 1.00 75.00 H new ATOM 0 HD2 HIS A 90 -13.278 3.600 -12.572 1.00 75.00 H new ATOM 0 HE1 HIS A 90 -14.159 7.298 -10.689 1.00 75.00 H new ATOM 0 HE2 HIS A 90 -12.509 5.365 -10.816 1.00 75.00 H new ATOM 1427 N HIS A 91 -18.933 4.474 -14.652 1.00 75.00 N ATOM 1428 CA HIS A 91 -18.854 5.732 -13.920 1.00 75.00 C ATOM 1429 C HIS A 91 -19.811 5.742 -12.735 1.00 75.00 C ATOM 1430 O HIS A 91 -19.509 5.186 -11.715 1.00 75.00 O ATOM 1431 CB HIS A 91 -19.156 6.916 -14.845 1.00 75.00 C ATOM 1432 CG HIS A 91 -18.161 7.084 -15.951 1.00 75.00 C ATOM 1433 ND1 HIS A 91 -16.916 7.643 -15.752 1.00 75.00 N ATOM 1434 CD2 HIS A 91 -18.226 6.767 -17.266 1.00 75.00 C ATOM 1435 CE1 HIS A 91 -16.257 7.662 -16.898 1.00 75.00 C ATOM 1436 NE2 HIS A 91 -17.031 7.137 -17.831 1.00 75.00 N ATOM 1437 OXT HIS A 91 -20.868 6.302 -12.822 1.00 75.00 O ATOM 0 H HIS A 91 -19.669 4.443 -15.358 1.00 75.00 H new ATOM 0 HA HIS A 91 -17.837 5.829 -13.541 1.00 75.00 H new ATOM 0 HB2 HIS A 91 -20.148 6.784 -15.277 1.00 75.00 H new ATOM 0 HB3 HIS A 91 -19.185 7.830 -14.252 1.00 75.00 H new ATOM 0 HD2 HIS A 91 -19.061 6.309 -17.775 1.00 75.00 H new ATOM 0 HE1 HIS A 91 -15.257 8.042 -17.046 1.00 75.00 H new ATOM 0 HE2 HIS A 91 -16.781 7.025 -18.813 1.00 75.00 H new TER 1445 HIS A 91