USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 829 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc=-0.00718 USER MOD Single : A 17 THR OG1 : rot -76:sc= -3.49! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 136:sc= -0.298 (180deg=-1.42!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 68:sc= 0.942 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -96:sc= 0.149 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.531 (180deg=-2.49!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -72:sc= 0.0181 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-1.3) USER MOD Single : A 66 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-5!) USER MOD Single : A 73 MET CE :methyl -147:sc= -0.485 (180deg=-1.73!) USER MOD Single : A 74 TYR OH : rot 0:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.12 F(o=-0.68,f=-0.12) USER MOD Single : A 78 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.2!) USER MOD Single : A 79 LYS NZ :NH3+ -109:sc= -0.024 (180deg=-0.831) USER MOD Single : A 82 SER OG : rot 38:sc= 0.191 USER MOD Single : A 84 GLN : amide:sc= -0.912! X(o=-0.91!,f=-1) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 83:sc= 1.48 USER MOD Single : A 92 TYR OH : rot -59:sc= -4.86! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.3! C(o=-1.3!,f=-4.3!) USER MOD Single : A 103 LYS NZ :NH3+ -131:sc= -0.0265 (180deg=-1.11) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.904 16.054 -7.946 1.00 0.00 N ATOM 2 CA GLY A 1 3.967 16.217 -9.043 1.00 0.00 C ATOM 3 C GLY A 1 2.657 16.836 -8.599 1.00 0.00 C ATOM 4 O GLY A 1 2.418 18.024 -8.817 1.00 0.00 O ATOM 0 H1 GLY A 1 5.783 15.627 -8.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.114 16.983 -7.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.487 15.435 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.419 16.843 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.771 15.246 -9.497 1.00 0.00 H new ATOM 8 N SER A 2 1.803 16.029 -7.977 1.00 0.00 N ATOM 9 CA SER A 2 0.507 16.503 -7.507 1.00 0.00 C ATOM 10 C SER A 2 0.643 17.215 -6.165 1.00 0.00 C ATOM 11 O SER A 2 0.322 18.397 -6.041 1.00 0.00 O ATOM 12 CB SER A 2 -0.472 15.334 -7.380 1.00 0.00 C ATOM 13 OG SER A 2 -1.695 15.754 -6.801 1.00 0.00 O ATOM 0 H SER A 2 1.986 15.044 -7.787 1.00 0.00 H new ATOM 0 HA SER A 2 0.121 17.213 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.660 14.905 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.028 14.548 -6.769 1.00 0.00 H new ATOM 0 HG SER A 2 -2.304 14.989 -6.732 1.00 0.00 H new ATOM 19 N SER A 3 1.122 16.486 -5.161 1.00 0.00 N ATOM 20 CA SER A 3 1.298 17.046 -3.826 1.00 0.00 C ATOM 21 C SER A 3 0.023 17.741 -3.356 1.00 0.00 C ATOM 22 O SER A 3 0.073 18.813 -2.755 1.00 0.00 O ATOM 23 CB SER A 3 2.465 18.035 -3.814 1.00 0.00 C ATOM 24 OG SER A 3 3.706 17.360 -3.938 1.00 0.00 O ATOM 0 H SER A 3 1.395 15.507 -5.247 1.00 0.00 H new ATOM 0 HA SER A 3 1.518 16.227 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.351 18.747 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.450 18.609 -2.887 1.00 0.00 H new ATOM 0 HG SER A 3 4.436 18.014 -3.929 1.00 0.00 H new ATOM 30 N GLY A 4 -1.119 17.120 -3.635 1.00 0.00 N ATOM 31 CA GLY A 4 -2.391 17.693 -3.235 1.00 0.00 C ATOM 32 C GLY A 4 -3.504 16.664 -3.198 1.00 0.00 C ATOM 33 O GLY A 4 -4.553 16.852 -3.814 1.00 0.00 O ATOM 0 H GLY A 4 -1.186 16.231 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.288 18.147 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.661 18.491 -3.927 1.00 0.00 H new ATOM 37 N SER A 5 -3.275 15.572 -2.475 1.00 0.00 N ATOM 38 CA SER A 5 -4.264 14.507 -2.365 1.00 0.00 C ATOM 39 C SER A 5 -4.472 14.107 -0.908 1.00 0.00 C ATOM 40 O SER A 5 -3.552 14.183 -0.094 1.00 0.00 O ATOM 41 CB SER A 5 -3.827 13.290 -3.182 1.00 0.00 C ATOM 42 OG SER A 5 -3.871 13.566 -4.572 1.00 0.00 O ATOM 0 H SER A 5 -2.413 15.402 -1.957 1.00 0.00 H new ATOM 0 HA SER A 5 -5.209 14.881 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.815 13.001 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.476 12.444 -2.955 1.00 0.00 H new ATOM 0 HG SER A 5 -3.586 12.773 -5.072 1.00 0.00 H new ATOM 48 N SER A 6 -5.689 13.680 -0.585 1.00 0.00 N ATOM 49 CA SER A 6 -6.021 13.272 0.775 1.00 0.00 C ATOM 50 C SER A 6 -5.436 11.897 1.087 1.00 0.00 C ATOM 51 O SER A 6 -4.828 11.693 2.136 1.00 0.00 O ATOM 52 CB SER A 6 -7.538 13.248 0.967 1.00 0.00 C ATOM 53 OG SER A 6 -8.106 14.518 0.697 1.00 0.00 O ATOM 0 H SER A 6 -6.462 13.608 -1.247 1.00 0.00 H new ATOM 0 HA SER A 6 -5.587 13.998 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.979 12.501 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.774 12.950 1.989 1.00 0.00 H new ATOM 0 HG SER A 6 -9.077 14.476 0.825 1.00 0.00 H new ATOM 59 N GLY A 7 -5.626 10.957 0.166 1.00 0.00 N ATOM 60 CA GLY A 7 -5.112 9.614 0.360 1.00 0.00 C ATOM 61 C GLY A 7 -4.166 9.189 -0.746 1.00 0.00 C ATOM 62 O GLY A 7 -4.074 9.851 -1.779 1.00 0.00 O ATOM 0 H GLY A 7 -6.127 11.102 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.593 9.562 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.945 8.913 0.410 1.00 0.00 H new ATOM 66 N GLU A 8 -3.461 8.084 -0.527 1.00 0.00 N ATOM 67 CA GLU A 8 -2.516 7.574 -1.514 1.00 0.00 C ATOM 68 C GLU A 8 -2.815 6.116 -1.851 1.00 0.00 C ATOM 69 O GLU A 8 -3.413 5.381 -1.065 1.00 0.00 O ATOM 70 CB GLU A 8 -1.083 7.706 -0.994 1.00 0.00 C ATOM 71 CG GLU A 8 -0.574 9.137 -0.967 1.00 0.00 C ATOM 72 CD GLU A 8 -0.275 9.676 -2.353 1.00 0.00 C ATOM 73 OE1 GLU A 8 -0.905 9.206 -3.322 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.591 10.569 -2.466 1.00 0.00 O ATOM 0 H GLU A 8 -3.526 7.525 0.324 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.622 8.167 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.031 7.292 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.422 7.106 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.316 9.774 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.330 9.186 -0.359 1.00 0.00 H new ATOM 81 N PRO A 9 -2.389 5.687 -3.048 1.00 0.00 N ATOM 82 CA PRO A 9 -2.599 4.314 -3.518 1.00 0.00 C ATOM 83 C PRO A 9 -1.758 3.303 -2.747 1.00 0.00 C ATOM 84 O PRO A 9 -2.069 2.113 -2.724 1.00 0.00 O ATOM 85 CB PRO A 9 -2.159 4.369 -4.983 1.00 0.00 C ATOM 86 CG PRO A 9 -1.193 5.502 -5.046 1.00 0.00 C ATOM 87 CD PRO A 9 -1.669 6.509 -4.035 1.00 0.00 C ATOM 0 HA PRO A 9 -3.630 3.989 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.693 3.433 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.008 4.536 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.182 5.166 -4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.165 5.936 -6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.837 7.046 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.321 7.256 -4.488 1.00 0.00 H new ATOM 95 N GLU A 10 -0.692 3.785 -2.115 1.00 0.00 N ATOM 96 CA GLU A 10 0.194 2.921 -1.343 1.00 0.00 C ATOM 97 C GLU A 10 -0.469 2.489 -0.038 1.00 0.00 C ATOM 98 O GLU A 10 -0.211 1.398 0.469 1.00 0.00 O ATOM 99 CB GLU A 10 1.511 3.640 -1.046 1.00 0.00 C ATOM 100 CG GLU A 10 2.507 3.585 -2.192 1.00 0.00 C ATOM 101 CD GLU A 10 3.580 4.652 -2.085 1.00 0.00 C ATOM 102 OE1 GLU A 10 4.492 4.492 -1.247 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.506 5.645 -2.838 1.00 0.00 O ATOM 0 H GLU A 10 -0.421 4.768 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 10 0.401 2.031 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.300 4.683 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.965 3.197 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.978 2.602 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.975 3.703 -3.136 1.00 0.00 H new ATOM 110 N GLN A 11 -1.323 3.354 0.499 1.00 0.00 N ATOM 111 CA GLN A 11 -2.022 3.063 1.745 1.00 0.00 C ATOM 112 C GLN A 11 -3.134 2.045 1.520 1.00 0.00 C ATOM 113 O GLN A 11 -3.183 1.007 2.181 1.00 0.00 O ATOM 114 CB GLN A 11 -2.602 4.347 2.341 1.00 0.00 C ATOM 115 CG GLN A 11 -1.558 5.416 2.617 1.00 0.00 C ATOM 116 CD GLN A 11 -0.898 5.253 3.972 1.00 0.00 C ATOM 117 OE1 GLN A 11 0.188 4.684 4.081 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.553 5.752 5.013 1.00 0.00 N ATOM 0 H GLN A 11 -1.547 4.262 0.091 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.303 2.639 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.350 4.749 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.117 4.106 3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.795 5.382 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.027 6.399 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.451 6.216 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.158 5.672 5.950 1.00 0.00 H new ATOM 127 N VAL A 12 -4.028 2.348 0.584 1.00 0.00 N ATOM 128 CA VAL A 12 -5.140 1.459 0.271 1.00 0.00 C ATOM 129 C VAL A 12 -4.669 0.015 0.143 1.00 0.00 C ATOM 130 O VAL A 12 -5.403 -0.919 0.469 1.00 0.00 O ATOM 131 CB VAL A 12 -5.843 1.877 -1.034 1.00 0.00 C ATOM 132 CG1 VAL A 12 -4.882 1.789 -2.210 1.00 0.00 C ATOM 133 CG2 VAL A 12 -7.073 1.015 -1.275 1.00 0.00 C ATOM 0 H VAL A 12 -4.003 3.203 0.029 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.848 1.535 1.096 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.166 2.913 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.396 2.088 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.034 2.452 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.526 0.764 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.558 1.324 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.775 -0.031 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.769 1.133 -0.444 1.00 0.00 H new ATOM 143 N ILE A 13 -3.442 -0.161 -0.335 1.00 0.00 N ATOM 144 CA ILE A 13 -2.873 -1.492 -0.505 1.00 0.00 C ATOM 145 C ILE A 13 -2.591 -2.147 0.844 1.00 0.00 C ATOM 146 O ILE A 13 -3.125 -3.213 1.151 1.00 0.00 O ATOM 147 CB ILE A 13 -1.568 -1.447 -1.322 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.853 -0.979 -2.751 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.899 -2.813 -1.329 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.703 -1.946 -3.545 1.00 0.00 C ATOM 0 H ILE A 13 -2.823 0.601 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.612 -2.083 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.888 -0.735 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.355 -0.012 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.907 -0.828 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.022 -2.764 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.667 -3.110 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.572 -3.545 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.865 -1.550 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.194 -2.907 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.664 -2.079 -3.048 1.00 0.00 H new ATOM 162 N ARG A 14 -1.752 -1.500 1.645 1.00 0.00 N ATOM 163 CA ARG A 14 -1.400 -2.018 2.962 1.00 0.00 C ATOM 164 C ARG A 14 -2.645 -2.200 3.825 1.00 0.00 C ATOM 165 O ARG A 14 -2.757 -3.169 4.577 1.00 0.00 O ATOM 166 CB ARG A 14 -0.417 -1.076 3.658 1.00 0.00 C ATOM 167 CG ARG A 14 0.950 -1.023 2.995 1.00 0.00 C ATOM 168 CD ARG A 14 1.792 -2.237 3.355 1.00 0.00 C ATOM 169 NE ARG A 14 2.298 -2.166 4.723 1.00 0.00 N ATOM 170 CZ ARG A 14 3.463 -1.616 5.048 1.00 0.00 C ATOM 171 NH1 ARG A 14 4.238 -1.093 4.108 1.00 0.00 N ATOM 172 NH2 ARG A 14 3.855 -1.590 6.315 1.00 0.00 N ATOM 0 H ARG A 14 -1.303 -0.616 1.406 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.927 -2.991 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.841 -0.072 3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.297 -1.391 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.829 -0.971 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.469 -0.115 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.194 -3.141 3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.630 -2.315 2.662 1.00 0.00 H new ATOM 0 HE ARG A 14 1.726 -2.560 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.940 -1.112 3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.132 -0.671 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.262 -1.992 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.750 -1.168 6.564 1.00 0.00 H new ATOM 186 N LYS A 15 -3.579 -1.261 3.712 1.00 0.00 N ATOM 187 CA LYS A 15 -4.817 -1.317 4.481 1.00 0.00 C ATOM 188 C LYS A 15 -5.523 -2.653 4.278 1.00 0.00 C ATOM 189 O LYS A 15 -6.274 -3.107 5.142 1.00 0.00 O ATOM 190 CB LYS A 15 -5.745 -0.170 4.075 1.00 0.00 C ATOM 191 CG LYS A 15 -7.061 -0.155 4.833 1.00 0.00 C ATOM 192 CD LYS A 15 -7.861 1.103 4.538 1.00 0.00 C ATOM 193 CE LYS A 15 -9.133 1.162 5.369 1.00 0.00 C ATOM 194 NZ LYS A 15 -8.889 1.745 6.717 1.00 0.00 N ATOM 0 H LYS A 15 -3.502 -0.452 3.095 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.565 -1.216 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.231 0.777 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.951 -0.241 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.648 -1.032 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.866 -0.220 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.249 1.981 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.115 1.134 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.881 1.758 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.543 0.158 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.781 1.768 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.194 1.163 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.522 2.713 6.615 1.00 0.00 H new ATOM 208 N TYR A 16 -5.278 -3.280 3.133 1.00 0.00 N ATOM 209 CA TYR A 16 -5.892 -4.564 2.817 1.00 0.00 C ATOM 210 C TYR A 16 -4.890 -5.702 2.985 1.00 0.00 C ATOM 211 O TYR A 16 -5.267 -6.843 3.255 1.00 0.00 O ATOM 212 CB TYR A 16 -6.435 -4.555 1.387 1.00 0.00 C ATOM 213 CG TYR A 16 -7.537 -3.543 1.165 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.564 -3.391 2.087 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.549 -2.738 0.032 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.573 -2.468 1.887 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.552 -1.812 -0.176 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.562 -1.681 0.754 1.00 0.00 C ATOM 219 OH TYR A 16 -10.564 -0.760 0.552 1.00 0.00 O ATOM 0 H TYR A 16 -4.658 -2.920 2.408 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.717 -4.725 3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.617 -4.346 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.811 -5.549 1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.575 -4.005 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.760 -2.839 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.365 -2.363 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.546 -1.194 -1.062 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.408 -0.287 -0.292 1.00 0.00 H new ATOM 229 N THR A 17 -3.609 -5.384 2.823 1.00 0.00 N ATOM 230 CA THR A 17 -2.552 -6.378 2.956 1.00 0.00 C ATOM 231 C THR A 17 -1.777 -6.187 4.255 1.00 0.00 C ATOM 232 O THR A 17 -1.326 -5.084 4.562 1.00 0.00 O ATOM 233 CB THR A 17 -1.570 -6.315 1.772 1.00 0.00 C ATOM 234 OG1 THR A 17 -0.897 -5.051 1.760 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.299 -6.519 0.452 1.00 0.00 C ATOM 0 H THR A 17 -3.279 -4.445 2.599 1.00 0.00 H new ATOM 0 HA THR A 17 -3.036 -7.354 2.966 1.00 0.00 H new ATOM 0 HB THR A 17 -0.839 -7.115 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.505 -4.360 1.424 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.584 -6.470 -0.370 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.786 -7.494 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.050 -5.739 0.327 1.00 0.00 H new ATOM 243 N GLU A 18 -1.626 -7.268 5.014 1.00 0.00 N ATOM 244 CA GLU A 18 -0.905 -7.217 6.280 1.00 0.00 C ATOM 245 C GLU A 18 0.491 -7.817 6.136 1.00 0.00 C ATOM 246 O GLU A 18 0.684 -9.017 6.325 1.00 0.00 O ATOM 247 CB GLU A 18 -1.683 -7.963 7.366 1.00 0.00 C ATOM 248 CG GLU A 18 -1.214 -7.648 8.776 1.00 0.00 C ATOM 249 CD GLU A 18 -1.579 -8.735 9.769 1.00 0.00 C ATOM 250 OE1 GLU A 18 -1.171 -9.895 9.554 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.272 -8.426 10.760 1.00 0.00 O ATOM 0 H GLU A 18 -1.993 -8.189 4.774 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.804 -6.171 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.741 -7.714 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.593 -9.036 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.133 -7.512 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.653 -6.704 9.099 1.00 0.00 H new ATOM 258 N GLU A 19 1.460 -6.971 5.799 1.00 0.00 N ATOM 259 CA GLU A 19 2.837 -7.418 5.628 1.00 0.00 C ATOM 260 C GLU A 19 3.200 -8.474 6.668 1.00 0.00 C ATOM 261 O GLU A 19 2.829 -8.363 7.838 1.00 0.00 O ATOM 262 CB GLU A 19 3.798 -6.232 5.732 1.00 0.00 C ATOM 263 CG GLU A 19 5.215 -6.556 5.288 1.00 0.00 C ATOM 264 CD GLU A 19 6.226 -5.535 5.773 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.829 -4.377 6.018 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.414 -5.895 5.908 1.00 0.00 O ATOM 0 H GLU A 19 1.317 -5.974 5.639 1.00 0.00 H new ATOM 0 HA GLU A 19 2.927 -7.863 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.415 -5.411 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.821 -5.883 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.492 -7.542 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.248 -6.606 4.200 1.00 0.00 H new ATOM 273 N LEU A 20 3.926 -9.498 6.235 1.00 0.00 N ATOM 274 CA LEU A 20 4.340 -10.575 7.128 1.00 0.00 C ATOM 275 C LEU A 20 5.822 -10.460 7.470 1.00 0.00 C ATOM 276 O LEU A 20 6.651 -10.187 6.602 1.00 0.00 O ATOM 277 CB LEU A 20 4.057 -11.934 6.485 1.00 0.00 C ATOM 278 CG LEU A 20 2.675 -12.102 5.853 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.539 -13.482 5.226 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.583 -11.876 6.889 1.00 0.00 C ATOM 0 H LEU A 20 4.241 -9.606 5.271 1.00 0.00 H new ATOM 0 HA LEU A 20 3.766 -10.490 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.810 -12.114 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.184 -12.706 7.244 1.00 0.00 H new ATOM 0 HG LEU A 20 2.563 -11.355 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.549 -13.584 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.298 -13.607 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.672 -14.245 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.606 -12.000 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.693 -12.599 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.667 -10.867 7.292 1.00 0.00 H new ATOM 292 N LYS A 21 6.149 -10.673 8.740 1.00 0.00 N ATOM 293 CA LYS A 21 7.531 -10.597 9.198 1.00 0.00 C ATOM 294 C LYS A 21 8.479 -11.203 8.168 1.00 0.00 C ATOM 295 O LYS A 21 9.570 -10.683 7.933 1.00 0.00 O ATOM 296 CB LYS A 21 7.686 -11.321 10.537 1.00 0.00 C ATOM 297 CG LYS A 21 8.964 -10.963 11.277 1.00 0.00 C ATOM 298 CD LYS A 21 9.249 -11.943 12.403 1.00 0.00 C ATOM 299 CE LYS A 21 10.098 -13.111 11.924 1.00 0.00 C ATOM 300 NZ LYS A 21 11.547 -12.766 11.891 1.00 0.00 N ATOM 0 H LYS A 21 5.475 -10.900 9.471 1.00 0.00 H new ATOM 0 HA LYS A 21 7.788 -9.546 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.831 -11.084 11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.666 -12.397 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.801 -10.957 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.880 -9.955 11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.763 -11.427 13.214 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.309 -12.317 12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.943 -13.966 12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.773 -13.412 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.092 -13.587 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.699 -11.966 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.863 -12.504 12.846 1.00 0.00 H new ATOM 314 N VAL A 22 8.055 -12.303 7.555 1.00 0.00 N ATOM 315 CA VAL A 22 8.866 -12.978 6.548 1.00 0.00 C ATOM 316 C VAL A 22 7.993 -13.576 5.450 1.00 0.00 C ATOM 317 O VAL A 22 6.974 -14.207 5.729 1.00 0.00 O ATOM 318 CB VAL A 22 9.723 -14.094 7.173 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.491 -14.845 6.095 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.673 -13.518 8.212 1.00 0.00 C ATOM 0 H VAL A 22 7.155 -12.746 7.738 1.00 0.00 H new ATOM 0 HA VAL A 22 9.524 -12.225 6.115 1.00 0.00 H new ATOM 0 HB VAL A 22 9.060 -14.800 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.091 -15.630 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.788 -15.291 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.145 -14.153 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.271 -14.321 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.331 -12.789 7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.099 -13.030 8.999 1.00 0.00 H new ATOM 330 N ALA A 23 8.401 -13.374 4.202 1.00 0.00 N ATOM 331 CA ALA A 23 7.657 -13.896 3.062 1.00 0.00 C ATOM 332 C ALA A 23 7.268 -15.354 3.281 1.00 0.00 C ATOM 333 O ALA A 23 8.092 -16.194 3.644 1.00 0.00 O ATOM 334 CB ALA A 23 8.476 -13.752 1.787 1.00 0.00 C ATOM 0 H ALA A 23 9.242 -12.853 3.954 1.00 0.00 H new ATOM 0 HA ALA A 23 6.741 -13.314 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.909 -14.146 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.699 -12.699 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.408 -14.308 1.888 1.00 0.00 H new ATOM 340 N PRO A 24 5.983 -15.665 3.057 1.00 0.00 N ATOM 341 CA PRO A 24 5.456 -17.022 3.224 1.00 0.00 C ATOM 342 C PRO A 24 5.975 -17.981 2.158 1.00 0.00 C ATOM 343 O PRO A 24 6.941 -17.681 1.458 1.00 0.00 O ATOM 344 CB PRO A 24 3.943 -16.835 3.083 1.00 0.00 C ATOM 345 CG PRO A 24 3.789 -15.604 2.258 1.00 0.00 C ATOM 346 CD PRO A 24 4.945 -14.715 2.622 1.00 0.00 C ATOM 0 HA PRO A 24 5.759 -17.462 4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.481 -17.696 2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.466 -16.722 4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.800 -15.843 1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.838 -15.112 2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.277 -14.119 1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.681 -14.017 3.417 1.00 0.00 H new ATOM 354 N GLU A 25 5.327 -19.136 2.041 1.00 0.00 N ATOM 355 CA GLU A 25 5.725 -20.139 1.060 1.00 0.00 C ATOM 356 C GLU A 25 4.754 -20.164 -0.117 1.00 0.00 C ATOM 357 O GLU A 25 4.495 -21.218 -0.698 1.00 0.00 O ATOM 358 CB GLU A 25 5.793 -21.522 1.710 1.00 0.00 C ATOM 359 CG GLU A 25 7.067 -21.761 2.502 1.00 0.00 C ATOM 360 CD GLU A 25 8.274 -21.988 1.612 1.00 0.00 C ATOM 361 OE1 GLU A 25 8.637 -21.062 0.857 1.00 0.00 O ATOM 362 OE2 GLU A 25 8.855 -23.091 1.672 1.00 0.00 O ATOM 0 H GLU A 25 4.525 -19.400 2.613 1.00 0.00 H new ATOM 0 HA GLU A 25 6.714 -19.873 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.936 -21.646 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.709 -22.283 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.254 -20.904 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.930 -22.627 3.150 1.00 0.00 H new ATOM 369 N GLU A 26 4.220 -18.997 -0.462 1.00 0.00 N ATOM 370 CA GLU A 26 3.277 -18.886 -1.568 1.00 0.00 C ATOM 371 C GLU A 26 3.972 -18.380 -2.828 1.00 0.00 C ATOM 372 O GLU A 26 5.119 -17.934 -2.781 1.00 0.00 O ATOM 373 CB GLU A 26 2.127 -17.948 -1.195 1.00 0.00 C ATOM 374 CG GLU A 26 0.894 -18.671 -0.679 1.00 0.00 C ATOM 375 CD GLU A 26 1.090 -19.235 0.715 1.00 0.00 C ATOM 376 OE1 GLU A 26 2.027 -18.788 1.409 1.00 0.00 O ATOM 377 OE2 GLU A 26 0.307 -20.123 1.111 1.00 0.00 O ATOM 0 H GLU A 26 4.424 -18.115 0.008 1.00 0.00 H new ATOM 0 HA GLU A 26 2.876 -19.879 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.472 -17.248 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.852 -17.358 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.049 -17.982 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.640 -19.481 -1.362 1.00 0.00 H new ATOM 384 N ASP A 27 3.271 -18.453 -3.954 1.00 0.00 N ATOM 385 CA ASP A 27 3.820 -18.001 -5.228 1.00 0.00 C ATOM 386 C ASP A 27 2.962 -16.891 -5.826 1.00 0.00 C ATOM 387 O ASP A 27 1.745 -17.029 -5.948 1.00 0.00 O ATOM 388 CB ASP A 27 3.918 -19.171 -6.208 1.00 0.00 C ATOM 389 CG ASP A 27 4.271 -20.475 -5.520 1.00 0.00 C ATOM 390 OD1 ASP A 27 5.407 -20.590 -5.012 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.412 -21.381 -5.489 1.00 0.00 O ATOM 0 H ASP A 27 2.321 -18.821 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 27 4.819 -17.605 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.968 -19.285 -6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.671 -18.946 -6.963 1.00 0.00 H new ATOM 396 N CYS A 28 3.605 -15.788 -6.197 1.00 0.00 N ATOM 397 CA CYS A 28 2.903 -14.652 -6.781 1.00 0.00 C ATOM 398 C CYS A 28 2.590 -14.905 -8.253 1.00 0.00 C ATOM 399 O CYS A 28 3.493 -15.118 -9.062 1.00 0.00 O ATOM 400 CB CYS A 28 3.740 -13.380 -6.637 1.00 0.00 C ATOM 401 SG CYS A 28 2.997 -11.910 -7.416 1.00 0.00 S ATOM 0 H CYS A 28 4.612 -15.658 -6.103 1.00 0.00 H new ATOM 0 HA CYS A 28 1.963 -14.522 -6.245 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.895 -13.178 -5.577 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.723 -13.553 -7.075 1.00 0.00 H new ATOM 406 N ILE A 29 1.305 -14.879 -8.591 1.00 0.00 N ATOM 407 CA ILE A 29 0.874 -15.104 -9.965 1.00 0.00 C ATOM 408 C ILE A 29 1.074 -13.854 -10.816 1.00 0.00 C ATOM 409 O ILE A 29 1.320 -13.942 -12.019 1.00 0.00 O ATOM 410 CB ILE A 29 -0.607 -15.522 -10.029 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.492 -14.442 -9.404 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.811 -16.855 -9.325 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.951 -14.559 -9.788 1.00 0.00 C ATOM 0 H ILE A 29 0.545 -14.705 -7.933 1.00 0.00 H new ATOM 0 HA ILE A 29 1.489 -15.912 -10.360 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.892 -15.638 -11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.405 -14.495 -8.319 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.123 -13.462 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.862 -17.137 -9.378 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.205 -17.620 -9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.512 -16.764 -8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.518 -13.761 -9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.050 -14.475 -10.870 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.337 -15.525 -9.462 1.00 0.00 H new ATOM 425 N ILE A 30 0.968 -12.691 -10.182 1.00 0.00 N ATOM 426 CA ILE A 30 1.141 -11.423 -10.880 1.00 0.00 C ATOM 427 C ILE A 30 2.485 -11.369 -11.598 1.00 0.00 C ATOM 428 O ILE A 30 2.572 -10.928 -12.745 1.00 0.00 O ATOM 429 CB ILE A 30 1.041 -10.229 -9.912 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.327 -10.214 -9.226 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.282 -8.923 -10.655 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.410 -9.250 -8.063 1.00 0.00 C ATOM 0 H ILE A 30 0.763 -12.601 -9.187 1.00 0.00 H new ATOM 0 HA ILE A 30 0.337 -11.355 -11.613 1.00 0.00 H new ATOM 0 HB ILE A 30 1.809 -10.335 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.089 -9.952 -9.960 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.558 -11.219 -8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.208 -8.089 -9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.277 -8.936 -11.101 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.534 -8.807 -11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.407 -9.293 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.329 -9.524 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.211 -8.238 -8.415 1.00 0.00 H new ATOM 444 N CYS A 31 3.532 -11.823 -10.917 1.00 0.00 N ATOM 445 CA CYS A 31 4.873 -11.828 -11.489 1.00 0.00 C ATOM 446 C CYS A 31 5.385 -13.255 -11.660 1.00 0.00 C ATOM 447 O CYS A 31 6.540 -13.471 -12.028 1.00 0.00 O ATOM 448 CB CYS A 31 5.832 -11.033 -10.602 1.00 0.00 C ATOM 449 SG CYS A 31 6.049 -11.729 -8.932 1.00 0.00 S ATOM 0 H CYS A 31 3.477 -12.192 -9.968 1.00 0.00 H new ATOM 0 HA CYS A 31 4.824 -11.358 -12.471 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.804 -10.981 -11.092 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.465 -10.011 -10.513 1.00 0.00 H new ATOM 454 N MET A 32 4.518 -14.226 -11.391 1.00 0.00 N ATOM 455 CA MET A 32 4.882 -15.632 -11.517 1.00 0.00 C ATOM 456 C MET A 32 6.262 -15.892 -10.921 1.00 0.00 C ATOM 457 O MET A 32 7.081 -16.594 -11.513 1.00 0.00 O ATOM 458 CB MET A 32 4.860 -16.058 -12.986 1.00 0.00 C ATOM 459 CG MET A 32 3.460 -16.149 -13.571 1.00 0.00 C ATOM 460 SD MET A 32 3.389 -17.190 -15.042 1.00 0.00 S ATOM 461 CE MET A 32 3.911 -18.765 -14.369 1.00 0.00 C ATOM 0 H MET A 32 3.559 -14.065 -11.084 1.00 0.00 H new ATOM 0 HA MET A 32 4.150 -16.221 -10.965 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.444 -15.347 -13.571 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.349 -17.027 -13.082 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.780 -16.545 -12.817 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.109 -15.148 -13.822 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.267 -19.556 -14.752 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.942 -18.962 -14.663 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.843 -18.737 -13.282 1.00 0.00 H new ATOM 471 N GLU A 33 6.513 -15.319 -9.747 1.00 0.00 N ATOM 472 CA GLU A 33 7.795 -15.489 -9.074 1.00 0.00 C ATOM 473 C GLU A 33 7.594 -15.800 -7.593 1.00 0.00 C ATOM 474 O GLU A 33 6.539 -15.518 -7.025 1.00 0.00 O ATOM 475 CB GLU A 33 8.649 -14.229 -9.230 1.00 0.00 C ATOM 476 CG GLU A 33 9.245 -14.067 -10.619 1.00 0.00 C ATOM 477 CD GLU A 33 10.563 -14.799 -10.777 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.213 -15.081 -9.749 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.944 -15.091 -11.930 1.00 0.00 O ATOM 0 H GLU A 33 5.846 -14.734 -9.244 1.00 0.00 H new ATOM 0 HA GLU A 33 8.312 -16.329 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.038 -13.356 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.456 -14.254 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.537 -14.438 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.395 -13.007 -10.824 1.00 0.00 H new ATOM 486 N LYS A 34 8.615 -16.384 -6.974 1.00 0.00 N ATOM 487 CA LYS A 34 8.553 -16.733 -5.560 1.00 0.00 C ATOM 488 C LYS A 34 8.542 -15.481 -4.690 1.00 0.00 C ATOM 489 O LYS A 34 9.305 -14.542 -4.925 1.00 0.00 O ATOM 490 CB LYS A 34 9.741 -17.620 -5.181 1.00 0.00 C ATOM 491 CG LYS A 34 9.640 -19.036 -5.721 1.00 0.00 C ATOM 492 CD LYS A 34 10.130 -19.121 -7.157 1.00 0.00 C ATOM 493 CE LYS A 34 10.429 -20.556 -7.561 1.00 0.00 C ATOM 494 NZ LYS A 34 9.185 -21.361 -7.713 1.00 0.00 N ATOM 0 H LYS A 34 9.495 -16.625 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 34 7.627 -17.282 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.658 -17.163 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.822 -17.659 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.227 -19.708 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.605 -19.374 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.376 -18.704 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.029 -18.515 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.982 -20.561 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.071 -21.018 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.432 -22.333 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.670 -21.378 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.583 -20.935 -8.447 1.00 0.00 H new ATOM 508 N LEU A 35 7.675 -15.472 -3.683 1.00 0.00 N ATOM 509 CA LEU A 35 7.566 -14.335 -2.776 1.00 0.00 C ATOM 510 C LEU A 35 8.899 -14.058 -2.088 1.00 0.00 C ATOM 511 O LEU A 35 9.151 -12.946 -1.625 1.00 0.00 O ATOM 512 CB LEU A 35 6.482 -14.595 -1.729 1.00 0.00 C ATOM 513 CG LEU A 35 5.065 -14.795 -2.266 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.179 -15.437 -1.208 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.476 -13.469 -2.724 1.00 0.00 C ATOM 0 H LEU A 35 7.037 -16.240 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 35 7.292 -13.458 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.761 -15.481 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.470 -13.757 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 35 5.114 -15.464 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.174 -15.572 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.591 -16.406 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.137 -14.793 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.467 -13.631 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.441 -12.777 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.098 -13.048 -3.514 1.00 0.00 H new ATOM 527 N ALA A 36 9.750 -15.077 -2.026 1.00 0.00 N ATOM 528 CA ALA A 36 11.059 -14.943 -1.398 1.00 0.00 C ATOM 529 C ALA A 36 11.938 -13.962 -2.166 1.00 0.00 C ATOM 530 O ALA A 36 12.655 -13.158 -1.571 1.00 0.00 O ATOM 531 CB ALA A 36 11.739 -16.300 -1.300 1.00 0.00 C ATOM 0 H ALA A 36 9.556 -16.005 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 36 10.914 -14.549 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.715 -16.185 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.125 -16.972 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.865 -16.717 -2.299 1.00 0.00 H new ATOM 537 N VAL A 37 11.879 -14.035 -3.492 1.00 0.00 N ATOM 538 CA VAL A 37 12.670 -13.154 -4.343 1.00 0.00 C ATOM 539 C VAL A 37 11.990 -11.800 -4.514 1.00 0.00 C ATOM 540 O VAL A 37 10.840 -11.617 -4.116 1.00 0.00 O ATOM 541 CB VAL A 37 12.906 -13.777 -5.732 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.534 -15.155 -5.599 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.601 -13.849 -6.511 1.00 0.00 C ATOM 0 H VAL A 37 11.291 -14.696 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 37 13.631 -13.015 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 37 13.598 -13.141 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.693 -15.579 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.490 -15.071 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.869 -15.804 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.786 -14.292 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.885 -14.462 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.197 -12.845 -6.637 1.00 0.00 H new ATOM 553 N ALA A 38 12.709 -10.854 -5.109 1.00 0.00 N ATOM 554 CA ALA A 38 12.175 -9.517 -5.335 1.00 0.00 C ATOM 555 C ALA A 38 10.904 -9.569 -6.177 1.00 0.00 C ATOM 556 O ALA A 38 10.549 -10.616 -6.717 1.00 0.00 O ATOM 557 CB ALA A 38 13.220 -8.638 -6.006 1.00 0.00 C ATOM 0 H ALA A 38 13.663 -10.989 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 38 11.921 -9.085 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.808 -7.642 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.100 -8.566 -5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.502 -9.075 -6.964 1.00 0.00 H new ATOM 563 N SER A 39 10.224 -8.432 -6.283 1.00 0.00 N ATOM 564 CA SER A 39 8.989 -8.349 -7.055 1.00 0.00 C ATOM 565 C SER A 39 9.288 -8.110 -8.532 1.00 0.00 C ATOM 566 O SER A 39 10.270 -7.456 -8.880 1.00 0.00 O ATOM 567 CB SER A 39 8.099 -7.229 -6.515 1.00 0.00 C ATOM 568 OG SER A 39 6.941 -7.067 -7.316 1.00 0.00 O ATOM 0 H SER A 39 10.507 -7.556 -5.844 1.00 0.00 H new ATOM 0 HA SER A 39 8.463 -9.299 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.807 -7.455 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.660 -6.295 -6.488 1.00 0.00 H new ATOM 0 HG SER A 39 6.364 -7.853 -7.219 1.00 0.00 H new ATOM 574 N GLY A 40 8.431 -8.645 -9.397 1.00 0.00 N ATOM 575 CA GLY A 40 8.620 -8.479 -10.826 1.00 0.00 C ATOM 576 C GLY A 40 8.538 -7.028 -11.258 1.00 0.00 C ATOM 577 O GLY A 40 9.269 -6.596 -12.149 1.00 0.00 O ATOM 0 H GLY A 40 7.610 -9.190 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.591 -8.885 -11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.864 -9.057 -11.359 1.00 0.00 H new ATOM 581 N TYR A 41 7.645 -6.274 -10.626 1.00 0.00 N ATOM 582 CA TYR A 41 7.467 -4.865 -10.952 1.00 0.00 C ATOM 583 C TYR A 41 8.440 -3.995 -10.161 1.00 0.00 C ATOM 584 O TYR A 41 8.391 -2.767 -10.231 1.00 0.00 O ATOM 585 CB TYR A 41 6.029 -4.431 -10.665 1.00 0.00 C ATOM 586 CG TYR A 41 5.007 -5.088 -11.566 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.798 -6.461 -11.527 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.250 -4.335 -12.455 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.867 -7.065 -12.348 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.315 -4.931 -13.279 1.00 0.00 C ATOM 591 CZ TYR A 41 3.127 -6.296 -13.222 1.00 0.00 C ATOM 592 OH TYR A 41 2.197 -6.895 -14.041 1.00 0.00 O ATOM 0 H TYR A 41 7.033 -6.616 -9.885 1.00 0.00 H new ATOM 0 HA TYR A 41 7.673 -4.736 -12.014 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.789 -4.663 -9.627 1.00 0.00 H new ATOM 0 HB3 TYR A 41 5.956 -3.349 -10.775 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.374 -7.066 -10.843 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.395 -3.266 -12.503 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.719 -8.134 -12.306 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.734 -4.331 -13.964 1.00 0.00 H new ATOM 0 HH TYR A 41 1.762 -6.214 -14.595 1.00 0.00 H new ATOM 602 N SER A 42 9.324 -4.643 -9.408 1.00 0.00 N ATOM 603 CA SER A 42 10.307 -3.930 -8.600 1.00 0.00 C ATOM 604 C SER A 42 10.817 -2.692 -9.332 1.00 0.00 C ATOM 605 O SER A 42 10.603 -1.564 -8.888 1.00 0.00 O ATOM 606 CB SER A 42 11.478 -4.852 -8.255 1.00 0.00 C ATOM 607 OG SER A 42 12.133 -5.306 -9.427 1.00 0.00 O ATOM 0 H SER A 42 9.380 -5.659 -9.341 1.00 0.00 H new ATOM 0 HA SER A 42 9.821 -3.610 -7.678 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.188 -4.321 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.116 -5.706 -7.683 1.00 0.00 H new ATOM 0 HG SER A 42 11.782 -6.186 -9.678 1.00 0.00 H new ATOM 613 N ASP A 43 11.492 -2.913 -10.454 1.00 0.00 N ATOM 614 CA ASP A 43 12.033 -1.816 -11.249 1.00 0.00 C ATOM 615 C ASP A 43 10.919 -0.888 -11.723 1.00 0.00 C ATOM 616 O ASP A 43 11.024 0.333 -11.607 1.00 0.00 O ATOM 617 CB ASP A 43 12.805 -2.362 -12.451 1.00 0.00 C ATOM 618 CG ASP A 43 11.888 -2.852 -13.554 1.00 0.00 C ATOM 619 OD1 ASP A 43 10.996 -3.677 -13.263 1.00 0.00 O ATOM 620 OD2 ASP A 43 12.060 -2.409 -14.709 1.00 0.00 O ATOM 0 H ASP A 43 11.678 -3.841 -10.834 1.00 0.00 H new ATOM 0 HA ASP A 43 12.714 -1.244 -10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.458 -1.583 -12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.447 -3.181 -12.126 1.00 0.00 H new ATOM 625 N MET A 44 9.853 -1.475 -12.257 1.00 0.00 N ATOM 626 CA MET A 44 8.720 -0.700 -12.749 1.00 0.00 C ATOM 627 C MET A 44 8.322 0.377 -11.745 1.00 0.00 C ATOM 628 O MET A 44 8.078 1.526 -12.114 1.00 0.00 O ATOM 629 CB MET A 44 7.529 -1.619 -13.028 1.00 0.00 C ATOM 630 CG MET A 44 6.243 -0.870 -13.337 1.00 0.00 C ATOM 631 SD MET A 44 6.074 -0.474 -15.088 1.00 0.00 S ATOM 632 CE MET A 44 4.363 -0.921 -15.373 1.00 0.00 C ATOM 0 H MET A 44 9.750 -2.485 -12.360 1.00 0.00 H new ATOM 0 HA MET A 44 9.020 -0.214 -13.677 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.772 -2.270 -13.868 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.366 -2.262 -12.163 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.391 -1.472 -13.021 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.215 0.052 -12.756 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.107 -0.733 -16.416 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.221 -1.978 -15.150 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.719 -0.324 -14.727 1.00 0.00 H new ATOM 642 N THR A 45 8.257 -0.002 -10.472 1.00 0.00 N ATOM 643 CA THR A 45 7.887 0.931 -9.415 1.00 0.00 C ATOM 644 C THR A 45 8.970 1.007 -8.345 1.00 0.00 C ATOM 645 O THR A 45 9.253 0.022 -7.663 1.00 0.00 O ATOM 646 CB THR A 45 6.555 0.531 -8.753 1.00 0.00 C ATOM 647 OG1 THR A 45 6.261 1.418 -7.669 1.00 0.00 O ATOM 648 CG2 THR A 45 6.613 -0.901 -8.243 1.00 0.00 C ATOM 0 H THR A 45 8.456 -0.949 -10.148 1.00 0.00 H new ATOM 0 HA THR A 45 7.772 1.909 -9.883 1.00 0.00 H new ATOM 0 HB THR A 45 5.767 0.601 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.412 1.158 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.661 -1.161 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.807 -1.576 -9.076 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.412 -0.993 -7.507 1.00 0.00 H new ATOM 656 N ASP A 46 9.573 2.182 -8.202 1.00 0.00 N ATOM 657 CA ASP A 46 10.624 2.388 -7.213 1.00 0.00 C ATOM 658 C ASP A 46 10.069 3.059 -5.961 1.00 0.00 C ATOM 659 O ASP A 46 10.707 3.937 -5.380 1.00 0.00 O ATOM 660 CB ASP A 46 11.752 3.236 -7.804 1.00 0.00 C ATOM 661 CG ASP A 46 13.013 3.189 -6.963 1.00 0.00 C ATOM 662 OD1 ASP A 46 13.547 2.080 -6.755 1.00 0.00 O ATOM 663 OD2 ASP A 46 13.465 4.263 -6.514 1.00 0.00 O ATOM 0 H ASP A 46 9.351 3.007 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 46 11.022 1.412 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.977 2.885 -8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.417 4.269 -7.894 1.00 0.00 H new ATOM 668 N SER A 47 8.876 2.641 -5.551 1.00 0.00 N ATOM 669 CA SER A 47 8.232 3.205 -4.371 1.00 0.00 C ATOM 670 C SER A 47 9.178 3.187 -3.175 1.00 0.00 C ATOM 671 O SER A 47 9.918 2.225 -2.968 1.00 0.00 O ATOM 672 CB SER A 47 6.957 2.428 -4.039 1.00 0.00 C ATOM 673 OG SER A 47 6.188 3.103 -3.058 1.00 0.00 O ATOM 0 H SER A 47 8.336 1.913 -6.019 1.00 0.00 H new ATOM 0 HA SER A 47 7.971 4.240 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.363 2.295 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.217 1.432 -3.680 1.00 0.00 H new ATOM 0 HG SER A 47 5.378 2.586 -2.865 1.00 0.00 H new ATOM 679 N LYS A 48 9.149 4.258 -2.389 1.00 0.00 N ATOM 680 CA LYS A 48 10.003 4.367 -1.211 1.00 0.00 C ATOM 681 C LYS A 48 9.405 3.604 -0.034 1.00 0.00 C ATOM 682 O LYS A 48 10.060 2.746 0.559 1.00 0.00 O ATOM 683 CB LYS A 48 10.200 5.837 -0.833 1.00 0.00 C ATOM 684 CG LYS A 48 11.119 6.040 0.358 1.00 0.00 C ATOM 685 CD LYS A 48 11.716 7.437 0.370 1.00 0.00 C ATOM 686 CE LYS A 48 10.735 8.458 0.927 1.00 0.00 C ATOM 687 NZ LYS A 48 9.626 8.738 -0.026 1.00 0.00 N ATOM 0 H LYS A 48 8.543 5.063 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 48 10.971 3.928 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.607 6.373 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.229 6.280 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.563 5.873 1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.920 5.301 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.626 7.440 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.002 7.720 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.322 8.090 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.263 9.384 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.397 9.752 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.918 8.470 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.787 8.188 0.247 1.00 0.00 H new ATOM 701 N ALA A 49 8.158 3.920 0.299 1.00 0.00 N ATOM 702 CA ALA A 49 7.472 3.261 1.403 1.00 0.00 C ATOM 703 C ALA A 49 7.489 1.746 1.235 1.00 0.00 C ATOM 704 O ALA A 49 8.009 1.023 2.086 1.00 0.00 O ATOM 705 CB ALA A 49 6.040 3.766 1.511 1.00 0.00 C ATOM 0 H ALA A 49 7.602 4.628 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 49 8.002 3.504 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.539 3.265 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.046 4.842 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.508 3.553 0.584 1.00 0.00 H new ATOM 711 N LEU A 50 6.918 1.271 0.134 1.00 0.00 N ATOM 712 CA LEU A 50 6.868 -0.160 -0.146 1.00 0.00 C ATOM 713 C LEU A 50 8.189 -0.647 -0.732 1.00 0.00 C ATOM 714 O LEU A 50 9.112 0.138 -0.947 1.00 0.00 O ATOM 715 CB LEU A 50 5.723 -0.471 -1.111 1.00 0.00 C ATOM 716 CG LEU A 50 4.313 -0.172 -0.599 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.369 0.094 -1.760 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.801 -1.323 0.255 1.00 0.00 C ATOM 0 H LEU A 50 6.483 1.856 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 50 6.695 -0.683 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.883 0.097 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.775 -1.527 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 50 4.354 0.724 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.371 0.305 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.727 0.951 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.332 -0.783 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.797 -1.093 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.775 -2.235 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.464 -1.466 1.108 1.00 0.00 H new ATOM 730 N GLY A 51 8.272 -1.948 -0.992 1.00 0.00 N ATOM 731 CA GLY A 51 9.483 -2.517 -1.553 1.00 0.00 C ATOM 732 C GLY A 51 9.212 -3.764 -2.372 1.00 0.00 C ATOM 733 O GLY A 51 8.139 -4.363 -2.295 1.00 0.00 O ATOM 0 H GLY A 51 7.522 -2.618 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.973 -1.773 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.175 -2.759 -0.746 1.00 0.00 H new ATOM 737 N PRO A 52 10.202 -4.173 -3.180 1.00 0.00 N ATOM 738 CA PRO A 52 10.089 -5.359 -4.033 1.00 0.00 C ATOM 739 C PRO A 52 10.080 -6.654 -3.227 1.00 0.00 C ATOM 740 O PRO A 52 9.305 -7.567 -3.510 1.00 0.00 O ATOM 741 CB PRO A 52 11.340 -5.285 -4.912 1.00 0.00 C ATOM 742 CG PRO A 52 12.319 -4.498 -4.111 1.00 0.00 C ATOM 743 CD PRO A 52 11.508 -3.508 -3.322 1.00 0.00 C ATOM 0 HA PRO A 52 9.156 -5.368 -4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.723 -6.280 -5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.127 -4.800 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.893 -5.147 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.034 -3.989 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.960 -3.300 -2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.419 -2.555 -3.843 1.00 0.00 H new ATOM 751 N MET A 53 10.946 -6.726 -2.221 1.00 0.00 N ATOM 752 CA MET A 53 11.036 -7.909 -1.374 1.00 0.00 C ATOM 753 C MET A 53 9.853 -7.981 -0.413 1.00 0.00 C ATOM 754 O MET A 53 9.413 -9.066 -0.034 1.00 0.00 O ATOM 755 CB MET A 53 12.348 -7.899 -0.586 1.00 0.00 C ATOM 756 CG MET A 53 13.586 -7.896 -1.467 1.00 0.00 C ATOM 757 SD MET A 53 13.701 -9.364 -2.509 1.00 0.00 S ATOM 758 CE MET A 53 14.462 -10.524 -1.376 1.00 0.00 C ATOM 0 H MET A 53 11.595 -5.979 -1.973 1.00 0.00 H new ATOM 0 HA MET A 53 11.013 -8.789 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.369 -7.020 0.058 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.378 -8.772 0.065 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.576 -7.007 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.474 -7.831 -0.839 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.599 -11.483 -1.875 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.431 -10.139 -1.057 1.00 0.00 H new ATOM 0 HE3 MET A 53 13.820 -10.657 -0.505 1.00 0.00 H new ATOM 768 N VAL A 54 9.342 -6.817 -0.022 1.00 0.00 N ATOM 769 CA VAL A 54 8.210 -6.748 0.893 1.00 0.00 C ATOM 770 C VAL A 54 7.061 -7.629 0.414 1.00 0.00 C ATOM 771 O VAL A 54 6.737 -7.652 -0.774 1.00 0.00 O ATOM 772 CB VAL A 54 7.703 -5.303 1.051 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.484 -5.260 1.960 1.00 0.00 C ATOM 774 CG2 VAL A 54 8.809 -4.406 1.586 1.00 0.00 C ATOM 0 H VAL A 54 9.695 -5.909 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 54 8.562 -7.109 1.859 1.00 0.00 H new ATOM 0 HB VAL A 54 7.407 -4.931 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.140 -4.230 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.688 -5.868 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.749 -5.650 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.433 -3.388 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.138 -4.774 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.650 -4.412 0.892 1.00 0.00 H new ATOM 784 N VAL A 55 6.448 -8.352 1.345 1.00 0.00 N ATOM 785 CA VAL A 55 5.334 -9.233 1.018 1.00 0.00 C ATOM 786 C VAL A 55 4.269 -9.200 2.109 1.00 0.00 C ATOM 787 O VAL A 55 4.584 -9.162 3.298 1.00 0.00 O ATOM 788 CB VAL A 55 5.806 -10.686 0.821 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.636 -11.582 0.444 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.900 -10.751 -0.234 1.00 0.00 C ATOM 0 H VAL A 55 6.704 -8.345 2.332 1.00 0.00 H new ATOM 0 HA VAL A 55 4.906 -8.868 0.084 1.00 0.00 H new ATOM 0 HB VAL A 55 6.219 -11.047 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.989 -12.604 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.889 -11.558 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.190 -11.227 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.222 -11.785 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.515 -10.372 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.747 -10.143 0.083 1.00 0.00 H new ATOM 800 N GLY A 56 3.005 -9.216 1.696 1.00 0.00 N ATOM 801 CA GLY A 56 1.912 -9.188 2.650 1.00 0.00 C ATOM 802 C GLY A 56 0.729 -10.021 2.200 1.00 0.00 C ATOM 803 O GLY A 56 0.599 -10.341 1.019 1.00 0.00 O ATOM 0 H GLY A 56 2.719 -9.248 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.265 -9.555 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.591 -8.157 2.800 1.00 0.00 H new ATOM 807 N ARG A 57 -0.136 -10.376 3.145 1.00 0.00 N ATOM 808 CA ARG A 57 -1.314 -11.180 2.840 1.00 0.00 C ATOM 809 C ARG A 57 -2.592 -10.372 3.044 1.00 0.00 C ATOM 810 O ARG A 57 -2.768 -9.716 4.072 1.00 0.00 O ATOM 811 CB ARG A 57 -1.344 -12.432 3.719 1.00 0.00 C ATOM 812 CG ARG A 57 -0.661 -13.635 3.089 1.00 0.00 C ATOM 813 CD ARG A 57 -0.861 -14.890 3.925 1.00 0.00 C ATOM 814 NE ARG A 57 0.107 -15.931 3.589 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.089 -17.222 3.832 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.211 -17.629 4.409 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.839 -18.109 3.496 1.00 0.00 N ATOM 0 H ARG A 57 -0.043 -10.120 4.128 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.257 -11.480 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.863 -12.209 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.381 -12.687 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.058 -13.797 2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.405 -13.434 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.772 -14.640 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.871 -15.271 3.772 1.00 0.00 H new ATOM 0 HE ARG A 57 0.981 -15.651 3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.927 -16.950 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.358 -18.621 4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.703 -17.799 3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.688 -19.100 3.683 1.00 0.00 H new ATOM 831 N LEU A 58 -3.480 -10.422 2.057 1.00 0.00 N ATOM 832 CA LEU A 58 -4.743 -9.694 2.127 1.00 0.00 C ATOM 833 C LEU A 58 -5.550 -10.119 3.350 1.00 0.00 C ATOM 834 O LEU A 58 -5.357 -11.211 3.886 1.00 0.00 O ATOM 835 CB LEU A 58 -5.560 -9.929 0.856 1.00 0.00 C ATOM 836 CG LEU A 58 -4.871 -9.570 -0.461 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.387 -10.449 -1.590 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.080 -8.099 -0.789 1.00 0.00 C ATOM 0 H LEU A 58 -3.349 -10.958 1.199 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.517 -8.631 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.843 -10.981 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.482 -9.353 0.929 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.801 -9.748 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.885 -10.179 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.184 -11.495 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.461 -10.304 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.583 -7.862 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.147 -7.895 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.660 -7.485 0.008 1.00 0.00 H new ATOM 850 N THR A 59 -6.456 -9.250 3.786 1.00 0.00 N ATOM 851 CA THR A 59 -7.293 -9.535 4.945 1.00 0.00 C ATOM 852 C THR A 59 -8.702 -9.933 4.520 1.00 0.00 C ATOM 853 O THR A 59 -9.664 -9.739 5.264 1.00 0.00 O ATOM 854 CB THR A 59 -7.377 -8.322 5.890 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.876 -7.182 5.181 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.012 -8.001 6.480 1.00 0.00 C ATOM 0 H THR A 59 -6.629 -8.342 3.354 1.00 0.00 H new ATOM 0 HA THR A 59 -6.827 -10.366 5.475 1.00 0.00 H new ATOM 0 HB THR A 59 -8.058 -8.570 6.704 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.190 -6.857 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.096 -7.141 7.144 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.648 -8.860 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.313 -7.772 5.676 1.00 0.00 H new ATOM 864 N LYS A 60 -8.819 -10.490 3.320 1.00 0.00 N ATOM 865 CA LYS A 60 -10.111 -10.917 2.796 1.00 0.00 C ATOM 866 C LYS A 60 -10.080 -12.392 2.409 1.00 0.00 C ATOM 867 O LYS A 60 -10.842 -13.200 2.941 1.00 0.00 O ATOM 868 CB LYS A 60 -10.498 -10.069 1.583 1.00 0.00 C ATOM 869 CG LYS A 60 -11.998 -9.938 1.386 1.00 0.00 C ATOM 870 CD LYS A 60 -12.553 -8.726 2.116 1.00 0.00 C ATOM 871 CE LYS A 60 -13.742 -8.128 1.380 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.250 -6.900 2.052 1.00 0.00 N ATOM 0 H LYS A 60 -8.034 -10.657 2.691 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.856 -10.780 3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.066 -9.074 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.060 -10.509 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.220 -9.856 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.493 -10.839 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.854 -9.013 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.772 -7.973 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.453 -7.889 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.541 -8.867 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.060 -6.523 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.550 -7.133 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.495 -6.185 2.086 1.00 0.00 H new ATOM 886 N CYS A 61 -9.194 -12.737 1.481 1.00 0.00 N ATOM 887 CA CYS A 61 -9.063 -14.115 1.023 1.00 0.00 C ATOM 888 C CYS A 61 -7.810 -14.765 1.604 1.00 0.00 C ATOM 889 O CYS A 61 -7.576 -15.959 1.421 1.00 0.00 O ATOM 890 CB CYS A 61 -9.014 -14.165 -0.505 1.00 0.00 C ATOM 891 SG CYS A 61 -7.885 -12.946 -1.252 1.00 0.00 S ATOM 0 H CYS A 61 -8.556 -12.081 1.031 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.934 -14.671 1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.710 -15.164 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.018 -14.002 -0.896 1.00 0.00 H new ATOM 896 N SER A 62 -7.009 -13.969 2.306 1.00 0.00 N ATOM 897 CA SER A 62 -5.779 -14.465 2.912 1.00 0.00 C ATOM 898 C SER A 62 -4.814 -14.972 1.844 1.00 0.00 C ATOM 899 O SER A 62 -4.236 -16.051 1.975 1.00 0.00 O ATOM 900 CB SER A 62 -6.090 -15.585 3.907 1.00 0.00 C ATOM 901 OG SER A 62 -6.696 -15.071 5.080 1.00 0.00 O ATOM 0 H SER A 62 -7.190 -12.978 2.469 1.00 0.00 H new ATOM 0 HA SER A 62 -5.306 -13.639 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.752 -16.315 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.171 -16.109 4.168 1.00 0.00 H new ATOM 0 HG SER A 62 -6.886 -15.806 5.699 1.00 0.00 H new ATOM 907 N HIS A 63 -4.644 -14.184 0.787 1.00 0.00 N ATOM 908 CA HIS A 63 -3.748 -14.551 -0.304 1.00 0.00 C ATOM 909 C HIS A 63 -2.501 -13.671 -0.303 1.00 0.00 C ATOM 910 O HIS A 63 -2.592 -12.449 -0.418 1.00 0.00 O ATOM 911 CB HIS A 63 -4.470 -14.431 -1.646 1.00 0.00 C ATOM 912 CG HIS A 63 -5.540 -15.459 -1.845 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.326 -15.520 -2.977 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.953 -16.473 -1.048 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.176 -16.525 -2.867 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.970 -17.120 -1.706 1.00 0.00 N ATOM 0 H HIS A 63 -5.115 -13.288 0.663 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.440 -15.586 -0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.913 -13.438 -1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.740 -14.518 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.556 -16.726 -0.076 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.914 -16.812 -3.602 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.483 -17.929 -1.355 1.00 0.00 H new ATOM 924 N ALA A 64 -1.339 -14.301 -0.172 1.00 0.00 N ATOM 925 CA ALA A 64 -0.074 -13.576 -0.157 1.00 0.00 C ATOM 926 C ALA A 64 0.247 -13.005 -1.534 1.00 0.00 C ATOM 927 O ALA A 64 0.178 -13.710 -2.541 1.00 0.00 O ATOM 928 CB ALA A 64 1.050 -14.486 0.315 1.00 0.00 C ATOM 0 H ALA A 64 -1.247 -15.312 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.169 -12.743 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.989 -13.932 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.832 -14.841 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.136 -15.338 -0.360 1.00 0.00 H new ATOM 934 N PHE A 65 0.599 -11.724 -1.571 1.00 0.00 N ATOM 935 CA PHE A 65 0.929 -11.058 -2.825 1.00 0.00 C ATOM 936 C PHE A 65 1.896 -9.902 -2.589 1.00 0.00 C ATOM 937 O PHE A 65 1.740 -9.131 -1.642 1.00 0.00 O ATOM 938 CB PHE A 65 -0.342 -10.544 -3.505 1.00 0.00 C ATOM 939 CG PHE A 65 -0.981 -11.549 -4.420 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.476 -11.768 -5.691 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.087 -12.275 -4.008 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.062 -12.693 -6.535 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.677 -13.201 -4.847 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.164 -13.410 -6.113 1.00 0.00 C ATOM 0 H PHE A 65 0.663 -11.127 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 65 1.412 -11.786 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.061 -10.252 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.102 -9.647 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.385 -11.210 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.493 -12.115 -3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.658 -12.855 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.538 -13.761 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.624 -14.133 -6.771 1.00 0.00 H new ATOM 954 N HIS A 66 2.897 -9.788 -3.456 1.00 0.00 N ATOM 955 CA HIS A 66 3.891 -8.727 -3.342 1.00 0.00 C ATOM 956 C HIS A 66 3.217 -7.369 -3.165 1.00 0.00 C ATOM 957 O HIS A 66 2.698 -6.792 -4.122 1.00 0.00 O ATOM 958 CB HIS A 66 4.790 -8.706 -4.579 1.00 0.00 C ATOM 959 CG HIS A 66 5.755 -9.849 -4.637 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.506 -11.009 -5.340 1.00 0.00 N ATOM 961 CD2 HIS A 66 6.977 -10.005 -4.076 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.533 -11.830 -5.207 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.439 -11.245 -4.445 1.00 0.00 N ATOM 0 H HIS A 66 3.041 -10.418 -4.245 1.00 0.00 H new ATOM 0 HA HIS A 66 4.502 -8.928 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.166 -8.723 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.347 -7.769 -4.597 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.662 -11.203 -5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.493 -9.288 -3.454 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.617 -12.813 -5.647 1.00 0.00 H new ATOM 971 N LEU A 67 3.228 -6.864 -1.937 1.00 0.00 N ATOM 972 CA LEU A 67 2.618 -5.575 -1.634 1.00 0.00 C ATOM 973 C LEU A 67 2.862 -4.578 -2.762 1.00 0.00 C ATOM 974 O LEU A 67 2.075 -3.654 -2.971 1.00 0.00 O ATOM 975 CB LEU A 67 3.173 -5.021 -0.320 1.00 0.00 C ATOM 976 CG LEU A 67 2.971 -5.898 0.916 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.434 -5.169 2.168 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.512 -6.310 1.045 1.00 0.00 C ATOM 0 H LEU A 67 3.653 -7.328 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 67 1.543 -5.725 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.241 -4.845 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.710 -4.052 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 67 3.573 -6.799 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.283 -5.808 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.492 -4.925 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.859 -4.251 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.387 -6.934 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.889 -5.420 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.213 -6.872 0.160 1.00 0.00 H new ATOM 990 N LEU A 68 3.957 -4.773 -3.490 1.00 0.00 N ATOM 991 CA LEU A 68 4.304 -3.892 -4.600 1.00 0.00 C ATOM 992 C LEU A 68 3.500 -4.245 -5.847 1.00 0.00 C ATOM 993 O LEU A 68 2.855 -3.385 -6.447 1.00 0.00 O ATOM 994 CB LEU A 68 5.801 -3.985 -4.901 1.00 0.00 C ATOM 995 CG LEU A 68 6.360 -2.931 -5.857 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.727 -1.664 -5.099 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.568 -3.476 -6.605 1.00 0.00 C ATOM 0 H LEU A 68 4.619 -5.533 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 68 4.060 -2.870 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.345 -3.918 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.007 -4.971 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 68 5.588 -2.683 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.123 -0.925 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.839 -1.263 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.482 -1.895 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.953 -2.712 -7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.344 -3.753 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.274 -4.354 -7.180 1.00 0.00 H new ATOM 1009 N CYS A 69 3.542 -5.517 -6.231 1.00 0.00 N ATOM 1010 CA CYS A 69 2.816 -5.986 -7.406 1.00 0.00 C ATOM 1011 C CYS A 69 1.374 -5.488 -7.389 1.00 0.00 C ATOM 1012 O CYS A 69 0.842 -5.056 -8.412 1.00 0.00 O ATOM 1013 CB CYS A 69 2.839 -7.514 -7.469 1.00 0.00 C ATOM 1014 SG CYS A 69 4.436 -8.212 -8.001 1.00 0.00 S ATOM 0 H CYS A 69 4.071 -6.241 -5.746 1.00 0.00 H new ATOM 0 HA CYS A 69 3.310 -5.585 -8.291 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.591 -7.911 -6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.061 -7.851 -8.154 1.00 0.00 H new ATOM 1019 N LEU A 70 0.746 -5.551 -6.220 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.635 -5.107 -6.068 1.00 0.00 C ATOM 1021 C LEU A 70 -0.770 -3.625 -6.403 1.00 0.00 C ATOM 1022 O LEU A 70 -1.684 -3.222 -7.125 1.00 0.00 O ATOM 1023 CB LEU A 70 -1.121 -5.365 -4.641 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.166 -6.829 -4.201 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.231 -6.930 -2.685 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.353 -7.539 -4.836 1.00 0.00 C ATOM 0 H LEU A 70 1.171 -5.905 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.252 -5.676 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.474 -4.820 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.121 -4.945 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.252 -7.318 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.262 -7.979 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.350 -6.458 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.128 -6.425 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.370 -8.580 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.277 -7.048 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.263 -7.498 -5.922 1.00 0.00 H new ATOM 1038 N LEU A 71 0.145 -2.819 -5.877 1.00 0.00 N ATOM 1039 CA LEU A 71 0.130 -1.381 -6.123 1.00 0.00 C ATOM 1040 C LEU A 71 0.347 -1.079 -7.602 1.00 0.00 C ATOM 1041 O LEU A 71 -0.346 -0.244 -8.183 1.00 0.00 O ATOM 1042 CB LEU A 71 1.208 -0.690 -5.286 1.00 0.00 C ATOM 1043 CG LEU A 71 1.345 0.820 -5.483 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.286 1.562 -4.683 1.00 0.00 C ATOM 1045 CD2 LEU A 71 2.739 1.285 -5.086 1.00 0.00 C ATOM 0 H LEU A 71 0.907 -3.136 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.848 -0.998 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.001 -0.882 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.168 -1.154 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 71 1.195 1.044 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.400 2.635 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.705 1.251 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.403 1.332 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.819 2.362 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.917 1.047 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.481 0.779 -5.704 1.00 0.00 H new ATOM 1057 N ALA A 72 1.313 -1.764 -8.205 1.00 0.00 N ATOM 1058 CA ALA A 72 1.618 -1.572 -9.617 1.00 0.00 C ATOM 1059 C ALA A 72 0.378 -1.780 -10.480 1.00 0.00 C ATOM 1060 O ALA A 72 0.035 -0.933 -11.305 1.00 0.00 O ATOM 1061 CB ALA A 72 2.729 -2.517 -10.051 1.00 0.00 C ATOM 0 H ALA A 72 1.898 -2.457 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 72 1.956 -0.545 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.946 -2.362 -11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.625 -2.319 -9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.412 -3.548 -9.893 1.00 0.00 H new ATOM 1067 N MET A 73 -0.290 -2.912 -10.285 1.00 0.00 N ATOM 1068 CA MET A 73 -1.493 -3.230 -11.046 1.00 0.00 C ATOM 1069 C MET A 73 -2.585 -2.196 -10.793 1.00 0.00 C ATOM 1070 O MET A 73 -3.306 -1.803 -11.711 1.00 0.00 O ATOM 1071 CB MET A 73 -2.000 -4.626 -10.679 1.00 0.00 C ATOM 1072 CG MET A 73 -3.189 -5.079 -11.510 1.00 0.00 C ATOM 1073 SD MET A 73 -4.768 -4.612 -10.775 1.00 0.00 S ATOM 1074 CE MET A 73 -4.644 -5.406 -9.174 1.00 0.00 C ATOM 0 H MET A 73 -0.019 -3.624 -9.607 1.00 0.00 H new ATOM 0 HA MET A 73 -1.239 -3.211 -12.106 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.188 -5.342 -10.802 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.278 -4.637 -9.625 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.115 -4.647 -12.508 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.154 -6.162 -11.628 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.634 -5.729 -8.850 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.986 -6.272 -9.247 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.237 -4.701 -8.449 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.703 -1.760 -9.544 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.710 -0.774 -9.170 1.00 0.00 C ATOM 1086 C TYR A 74 -3.553 0.503 -9.990 1.00 0.00 C ATOM 1087 O TYR A 74 -4.539 1.125 -10.386 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.610 -0.452 -7.679 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.219 0.881 -7.305 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.565 2.072 -7.593 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.450 0.948 -6.664 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.118 3.291 -7.253 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.011 2.163 -6.321 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.341 3.332 -6.617 1.00 0.00 C ATOM 1095 OH TYR A 74 -5.896 4.544 -6.278 1.00 0.00 O ATOM 0 H TYR A 74 -2.114 -2.074 -8.773 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.692 -1.199 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.105 -1.240 -7.112 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.561 -0.458 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.607 2.044 -8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.977 0.035 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.595 4.207 -7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.969 2.197 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.297 5.268 -6.558 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.306 0.886 -10.241 1.00 0.00 N ATOM 1106 CA CYS A 75 -2.017 2.089 -11.014 1.00 0.00 C ATOM 1107 C CYS A 75 -2.641 2.006 -12.403 1.00 0.00 C ATOM 1108 O CYS A 75 -3.283 2.948 -12.864 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.506 2.295 -11.131 1.00 0.00 C ATOM 1110 SG CYS A 75 -0.022 3.530 -12.360 1.00 0.00 S ATOM 0 H CYS A 75 -1.479 0.381 -9.921 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.452 2.940 -10.491 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.114 2.593 -10.158 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.039 1.343 -11.385 1.00 0.00 H new ATOM 0 HG CYS A 75 1.274 3.634 -12.384 1.00 0.00 H new ATOM 1116 N ASN A 76 -2.445 0.871 -13.067 1.00 0.00 N ATOM 1117 CA ASN A 76 -2.986 0.665 -14.405 1.00 0.00 C ATOM 1118 C ASN A 76 -4.507 0.551 -14.365 1.00 0.00 C ATOM 1119 O ASN A 76 -5.200 1.036 -15.258 1.00 0.00 O ATOM 1120 CB ASN A 76 -2.385 -0.595 -15.033 1.00 0.00 C ATOM 1121 CG ASN A 76 -3.270 -1.179 -16.117 1.00 0.00 C ATOM 1122 OD1 ASN A 76 -4.238 -1.994 -15.715 1.00 0.00 O flip ATOM 1123 ND2 ASN A 76 -3.085 -0.900 -17.302 1.00 0.00 N flip ATOM 0 H ASN A 76 -1.916 0.080 -12.700 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.720 1.529 -15.014 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.408 -0.357 -15.454 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.224 -1.343 -14.257 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.328 -0.269 -17.565 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.688 -1.300 -18.020 1.00 0.00 H new ATOM 1130 N GLY A 77 -5.020 -0.095 -13.322 1.00 0.00 N ATOM 1131 CA GLY A 77 -6.455 -0.261 -13.185 1.00 0.00 C ATOM 1132 C GLY A 77 -7.166 1.048 -12.907 1.00 0.00 C ATOM 1133 O GLY A 77 -6.846 2.075 -13.505 1.00 0.00 O ATOM 0 H GLY A 77 -4.467 -0.506 -12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.855 -0.702 -14.098 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.661 -0.962 -12.376 1.00 0.00 H new ATOM 1137 N ASN A 78 -8.135 1.012 -11.998 1.00 0.00 N ATOM 1138 CA ASN A 78 -8.896 2.206 -11.644 1.00 0.00 C ATOM 1139 C ASN A 78 -8.396 2.800 -10.331 1.00 0.00 C ATOM 1140 O ASN A 78 -8.794 2.367 -9.249 1.00 0.00 O ATOM 1141 CB ASN A 78 -10.385 1.872 -11.532 1.00 0.00 C ATOM 1142 CG ASN A 78 -11.266 3.090 -11.731 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -11.435 3.903 -10.822 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -11.835 3.220 -12.924 1.00 0.00 N ATOM 0 H ASN A 78 -8.412 0.170 -11.493 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.755 2.944 -12.433 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.642 1.116 -12.274 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -10.585 1.438 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.440 4.018 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.667 2.522 -13.648 1.00 0.00 H new ATOM 1151 N LYS A 79 -7.521 3.794 -10.433 1.00 0.00 N ATOM 1152 CA LYS A 79 -6.967 4.451 -9.255 1.00 0.00 C ATOM 1153 C LYS A 79 -8.031 5.278 -8.542 1.00 0.00 C ATOM 1154 O LYS A 79 -7.970 6.507 -8.528 1.00 0.00 O ATOM 1155 CB LYS A 79 -5.790 5.346 -9.651 1.00 0.00 C ATOM 1156 CG LYS A 79 -4.619 4.585 -10.247 1.00 0.00 C ATOM 1157 CD LYS A 79 -3.679 5.509 -11.002 1.00 0.00 C ATOM 1158 CE LYS A 79 -2.966 6.468 -10.061 1.00 0.00 C ATOM 1159 NZ LYS A 79 -2.052 5.753 -9.128 1.00 0.00 N ATOM 0 H LYS A 79 -7.180 4.163 -11.321 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.614 3.679 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.135 6.087 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.448 5.892 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.072 4.078 -9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.991 3.813 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.943 4.916 -11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.242 6.076 -11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.396 7.192 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.703 7.030 -9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.448 5.779 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.948 4.764 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.121 6.216 -9.131 1.00 0.00 H new ATOM 1173 N ASP A 80 -9.005 4.595 -7.949 1.00 0.00 N ATOM 1174 CA ASP A 80 -10.082 5.267 -7.231 1.00 0.00 C ATOM 1175 C ASP A 80 -10.348 4.588 -5.891 1.00 0.00 C ATOM 1176 O ASP A 80 -11.497 4.358 -5.517 1.00 0.00 O ATOM 1177 CB ASP A 80 -11.357 5.276 -8.074 1.00 0.00 C ATOM 1178 CG ASP A 80 -11.416 6.458 -9.022 1.00 0.00 C ATOM 1179 OD1 ASP A 80 -10.771 7.487 -8.729 1.00 0.00 O ATOM 1180 OD2 ASP A 80 -12.106 6.354 -10.058 1.00 0.00 O ATOM 0 H ASP A 80 -9.071 3.577 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.773 6.295 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.417 4.351 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.225 5.299 -7.415 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.276 4.268 -5.172 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.415 3.617 -3.882 1.00 0.00 C ATOM 1187 C GLY A 81 -10.094 2.266 -3.985 1.00 0.00 C ATOM 1188 O GLY A 81 -11.078 2.003 -3.293 1.00 0.00 O ATOM 0 H GLY A 81 -8.314 4.448 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.429 3.492 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.990 4.259 -3.214 1.00 0.00 H new ATOM 1192 N SER A 82 -9.569 1.406 -4.852 1.00 0.00 N ATOM 1193 CA SER A 82 -10.135 0.076 -5.048 1.00 0.00 C ATOM 1194 C SER A 82 -9.065 -0.905 -5.519 1.00 0.00 C ATOM 1195 O SER A 82 -8.457 -0.719 -6.574 1.00 0.00 O ATOM 1196 CB SER A 82 -11.278 0.129 -6.063 1.00 0.00 C ATOM 1197 OG SER A 82 -10.871 0.777 -7.256 1.00 0.00 O ATOM 0 H SER A 82 -8.753 1.606 -5.430 1.00 0.00 H new ATOM 0 HA SER A 82 -10.525 -0.271 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.613 -0.883 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.128 0.657 -5.631 1.00 0.00 H new ATOM 0 HG SER A 82 -9.946 0.529 -7.464 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.841 -1.949 -4.730 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.845 -2.962 -5.065 1.00 0.00 C ATOM 1205 C LEU A 83 -8.482 -4.345 -5.150 1.00 0.00 C ATOM 1206 O LEU A 83 -9.094 -4.816 -4.191 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.724 -2.966 -4.024 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.433 -3.676 -4.432 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.680 -5.164 -4.627 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.862 -3.058 -5.700 1.00 0.00 C ATOM 0 H LEU A 83 -9.335 -2.117 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.426 -2.716 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.484 -1.933 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.101 -3.434 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.704 -3.552 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.750 -5.652 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.042 -5.598 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.425 -5.310 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.943 -3.576 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.587 -3.151 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.646 -2.004 -5.526 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.331 -4.991 -6.302 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.891 -6.321 -6.510 1.00 0.00 C ATOM 1224 C GLN A 84 -7.791 -7.378 -6.519 1.00 0.00 C ATOM 1225 O GLN A 84 -6.641 -7.090 -6.849 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.672 -6.369 -7.824 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.727 -7.462 -7.865 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.588 -7.396 -9.111 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -11.525 -6.430 -9.873 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.400 -8.425 -9.326 1.00 0.00 N ATOM 0 H GLN A 84 -7.826 -4.615 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.570 -6.536 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.153 -5.405 -7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.973 -6.519 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.238 -8.435 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.363 -7.381 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.420 -9.205 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.003 -8.435 -10.148 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.153 -8.604 -6.155 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.198 -9.705 -6.121 1.00 0.00 C ATOM 1241 C CYS A 85 -7.192 -10.461 -7.446 1.00 0.00 C ATOM 1242 O CYS A 85 -8.211 -10.986 -7.896 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.535 -10.663 -4.977 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.233 -11.889 -4.627 1.00 0.00 S ATOM 0 H CYS A 85 -9.101 -8.860 -5.879 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.205 -9.287 -5.957 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.724 -10.082 -4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.459 -11.189 -5.218 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.015 -10.518 -8.088 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.846 -11.208 -9.371 1.00 0.00 C ATOM 1251 C PRO A 86 -5.957 -12.722 -9.234 1.00 0.00 C ATOM 1252 O PRO A 86 -5.768 -13.458 -10.202 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.432 -10.812 -9.803 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.722 -10.496 -8.532 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.760 -9.915 -7.611 1.00 0.00 C ATOM 0 HA PRO A 86 -6.619 -10.931 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.940 -11.623 -10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.449 -9.951 -10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.276 -11.392 -8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.912 -9.787 -8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.562 -10.170 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.788 -8.827 -7.673 1.00 0.00 H new ATOM 1263 N SER A 87 -6.264 -13.182 -8.025 1.00 0.00 N ATOM 1264 CA SER A 87 -6.396 -14.610 -7.761 1.00 0.00 C ATOM 1265 C SER A 87 -7.865 -15.006 -7.641 1.00 0.00 C ATOM 1266 O SER A 87 -8.342 -15.890 -8.354 1.00 0.00 O ATOM 1267 CB SER A 87 -5.649 -14.984 -6.479 1.00 0.00 C ATOM 1268 OG SER A 87 -5.327 -16.364 -6.461 1.00 0.00 O ATOM 0 H SER A 87 -6.426 -12.586 -7.213 1.00 0.00 H new ATOM 0 HA SER A 87 -5.958 -15.152 -8.599 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.736 -14.393 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.263 -14.739 -5.612 1.00 0.00 H new ATOM 0 HG SER A 87 -4.849 -16.578 -5.633 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.577 -14.346 -6.733 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.991 -14.628 -6.517 1.00 0.00 C ATOM 1276 C CYS A 88 -10.854 -13.450 -6.958 1.00 0.00 C ATOM 1277 O CYS A 88 -12.012 -13.329 -6.557 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.250 -14.942 -5.043 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.727 -13.624 -3.899 1.00 0.00 S ATOM 0 H CYS A 88 -8.197 -13.612 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.259 -15.496 -7.119 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.315 -15.128 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.729 -15.863 -4.782 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.282 -12.582 -7.786 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.998 -11.413 -8.284 1.00 0.00 C ATOM 1286 C LYS A 89 -11.927 -10.848 -7.215 1.00 0.00 C ATOM 1287 O LYS A 89 -13.085 -10.528 -7.489 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.802 -11.776 -9.534 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.960 -11.868 -10.794 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.322 -13.240 -10.940 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.547 -13.359 -12.243 1.00 0.00 C ATOM 1292 NZ LYS A 89 -8.906 -14.695 -12.387 1.00 0.00 N ATOM 0 H LYS A 89 -9.324 -12.666 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.263 -10.650 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.301 -12.731 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.583 -11.030 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.582 -11.661 -11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.182 -11.105 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.652 -13.422 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.095 -14.008 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.220 -13.187 -13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.782 -12.583 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.388 -14.736 -13.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.245 -14.849 -11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.638 -15.434 -12.375 1.00 0.00 H new ATOM 1306 N THR A 90 -11.413 -10.726 -5.995 1.00 0.00 N ATOM 1307 CA THR A 90 -12.197 -10.199 -4.885 1.00 0.00 C ATOM 1308 C THR A 90 -11.906 -8.720 -4.660 1.00 0.00 C ATOM 1309 O THR A 90 -10.783 -8.342 -4.327 1.00 0.00 O ATOM 1310 CB THR A 90 -11.914 -10.970 -3.581 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.334 -12.332 -3.717 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.632 -10.326 -2.405 1.00 0.00 C ATOM 0 H THR A 90 -10.457 -10.985 -5.751 1.00 0.00 H new ATOM 0 HA THR A 90 -13.246 -10.324 -5.152 1.00 0.00 H new ATOM 0 HB THR A 90 -10.841 -10.939 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.631 -12.848 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.417 -10.888 -1.496 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.288 -9.299 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.706 -10.330 -2.588 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.925 -7.887 -4.843 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.779 -6.449 -4.658 1.00 0.00 C ATOM 1322 C ILE A 91 -12.809 -6.079 -3.179 1.00 0.00 C ATOM 1323 O ILE A 91 -13.640 -6.578 -2.420 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.886 -5.670 -5.392 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.868 -6.003 -6.886 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.716 -4.174 -5.175 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.205 -5.803 -7.565 1.00 0.00 C ATOM 0 H ILE A 91 -13.861 -8.184 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.812 -6.174 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.852 -5.968 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.122 -5.381 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.555 -7.039 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.506 -3.638 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.773 -3.952 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.746 -3.858 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.118 -6.058 -8.621 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.951 -6.446 -7.097 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.511 -4.761 -7.467 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.898 -5.200 -2.776 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.819 -4.763 -1.387 1.00 0.00 C ATOM 1341 C TYR A 92 -12.399 -3.361 -1.223 1.00 0.00 C ATOM 1342 O TYR A 92 -13.096 -3.075 -0.250 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.368 -4.785 -0.905 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.742 -6.162 -0.930 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.649 -6.882 -2.115 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.246 -6.742 0.230 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.080 -8.140 -2.143 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.673 -7.999 0.211 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.592 -8.694 -0.977 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.024 -9.947 -1.000 1.00 0.00 O ATOM 0 H TYR A 92 -11.204 -4.776 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.407 -5.453 -0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.777 -4.115 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.326 -4.394 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.028 -6.450 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.309 -6.201 1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.017 -8.687 -3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.290 -8.435 1.122 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.680 -10.597 -1.328 1.00 0.00 H new ATOM 1360 N GLY A 93 -12.107 -2.490 -2.184 1.00 0.00 N ATOM 1361 CA GLY A 93 -12.607 -1.129 -2.130 1.00 0.00 C ATOM 1362 C GLY A 93 -14.071 -1.034 -2.513 1.00 0.00 C ATOM 1363 O GLY A 93 -14.908 -1.756 -1.974 1.00 0.00 O ATOM 0 H GLY A 93 -11.533 -2.703 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.472 -0.735 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.018 -0.502 -2.799 1.00 0.00 H new ATOM 1367 N GLU A 94 -14.379 -0.138 -3.446 1.00 0.00 N ATOM 1368 CA GLU A 94 -15.752 0.051 -3.899 1.00 0.00 C ATOM 1369 C GLU A 94 -16.269 -1.199 -4.606 1.00 0.00 C ATOM 1370 O GLU A 94 -15.589 -1.768 -5.462 1.00 0.00 O ATOM 1371 CB GLU A 94 -15.843 1.256 -4.837 1.00 0.00 C ATOM 1372 CG GLU A 94 -15.228 1.010 -6.205 1.00 0.00 C ATOM 1373 CD GLU A 94 -14.790 2.291 -6.887 1.00 0.00 C ATOM 1374 OE1 GLU A 94 -15.621 2.902 -7.591 1.00 0.00 O ATOM 1375 OE2 GLU A 94 -13.617 2.683 -6.715 1.00 0.00 O ATOM 0 H GLU A 94 -13.697 0.468 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.374 0.235 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -16.891 1.530 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.345 2.107 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.369 0.347 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -15.952 0.495 -6.837 1.00 0.00 H new ATOM 1382 N LYS A 95 -17.475 -1.622 -4.243 1.00 0.00 N ATOM 1383 CA LYS A 95 -18.084 -2.803 -4.843 1.00 0.00 C ATOM 1384 C LYS A 95 -19.449 -2.469 -5.436 1.00 0.00 C ATOM 1385 O LYS A 95 -19.670 -2.622 -6.638 1.00 0.00 O ATOM 1386 CB LYS A 95 -18.228 -3.913 -3.799 1.00 0.00 C ATOM 1387 CG LYS A 95 -18.124 -5.312 -4.380 1.00 0.00 C ATOM 1388 CD LYS A 95 -18.976 -6.303 -3.605 1.00 0.00 C ATOM 1389 CE LYS A 95 -18.374 -7.700 -3.638 1.00 0.00 C ATOM 1390 NZ LYS A 95 -18.980 -8.589 -2.608 1.00 0.00 N ATOM 0 H LYS A 95 -18.050 -1.164 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 95 -17.433 -3.149 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.458 -3.787 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.191 -3.807 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -18.439 -5.298 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.083 -5.636 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -19.072 -5.971 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.981 -6.328 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -18.521 -8.136 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.298 -7.636 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.544 -9.531 -2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.818 -8.186 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.003 -8.671 -2.778 1.00 0.00 H new ATOM 1404 N THR A 96 -20.363 -2.010 -4.587 1.00 0.00 N ATOM 1405 CA THR A 96 -21.706 -1.654 -5.028 1.00 0.00 C ATOM 1406 C THR A 96 -21.661 -0.639 -6.163 1.00 0.00 C ATOM 1407 O THR A 96 -20.837 0.275 -6.160 1.00 0.00 O ATOM 1408 CB THR A 96 -22.542 -1.076 -3.870 1.00 0.00 C ATOM 1409 OG1 THR A 96 -22.618 -2.024 -2.800 1.00 0.00 O ATOM 1410 CG2 THR A 96 -23.945 -0.721 -4.341 1.00 0.00 C ATOM 0 H THR A 96 -20.198 -1.876 -3.589 1.00 0.00 H new ATOM 0 HA THR A 96 -22.176 -2.571 -5.383 1.00 0.00 H new ATOM 0 HB THR A 96 -22.054 -0.168 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.149 -1.648 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 96 -24.517 -0.315 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 96 -23.885 0.023 -5.136 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.440 -1.616 -4.718 1.00 0.00 H new ATOM 1418 N GLY A 97 -22.553 -0.804 -7.135 1.00 0.00 N ATOM 1419 CA GLY A 97 -22.597 0.107 -8.264 1.00 0.00 C ATOM 1420 C GLY A 97 -22.316 1.541 -7.863 1.00 0.00 C ATOM 1421 O GLY A 97 -21.595 2.259 -8.558 1.00 0.00 O ATOM 0 H GLY A 97 -23.246 -1.552 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -21.867 -0.208 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -23.579 0.050 -8.735 1.00 0.00 H new ATOM 1425 N THR A 98 -22.888 1.963 -6.739 1.00 0.00 N ATOM 1426 CA THR A 98 -22.697 3.322 -6.248 1.00 0.00 C ATOM 1427 C THR A 98 -21.319 3.491 -5.619 1.00 0.00 C ATOM 1428 O THR A 98 -20.728 2.528 -5.131 1.00 0.00 O ATOM 1429 CB THR A 98 -23.772 3.700 -5.212 1.00 0.00 C ATOM 1430 OG1 THR A 98 -23.846 2.697 -4.194 1.00 0.00 O ATOM 1431 CG2 THR A 98 -25.132 3.858 -5.876 1.00 0.00 C ATOM 0 H THR A 98 -23.487 1.383 -6.152 1.00 0.00 H new ATOM 0 HA THR A 98 -22.783 3.985 -7.109 1.00 0.00 H new ATOM 0 HB THR A 98 -23.492 4.653 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 98 -24.531 2.946 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 98 -25.875 4.125 -5.124 1.00 0.00 H new ATOM 0 HG22 THR A 98 -25.080 4.644 -6.630 1.00 0.00 H new ATOM 0 HG23 THR A 98 -25.417 2.919 -6.350 1.00 0.00 H new ATOM 1439 N GLN A 99 -20.814 4.720 -5.633 1.00 0.00 N ATOM 1440 CA GLN A 99 -19.505 5.014 -5.063 1.00 0.00 C ATOM 1441 C GLN A 99 -19.524 4.858 -3.546 1.00 0.00 C ATOM 1442 O GLN A 99 -20.553 5.030 -2.892 1.00 0.00 O ATOM 1443 CB GLN A 99 -19.070 6.433 -5.435 1.00 0.00 C ATOM 1444 CG GLN A 99 -20.028 7.510 -4.953 1.00 0.00 C ATOM 1445 CD GLN A 99 -21.134 7.796 -5.950 1.00 0.00 C ATOM 1446 OE1 GLN A 99 -21.078 7.357 -7.099 1.00 0.00 O ATOM 1447 NE2 GLN A 99 -22.147 8.536 -5.515 1.00 0.00 N ATOM 0 H GLN A 99 -21.291 5.528 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 99 -18.790 4.302 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -18.082 6.623 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -18.974 6.502 -6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -20.469 7.201 -4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -19.471 8.427 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -22.152 8.879 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -22.920 8.761 -6.141 1.00 0.00 H new ATOM 1456 N PRO A 100 -18.360 4.523 -2.970 1.00 0.00 N ATOM 1457 CA PRO A 100 -18.217 4.336 -1.523 1.00 0.00 C ATOM 1458 C PRO A 100 -18.332 5.648 -0.755 1.00 0.00 C ATOM 1459 O PRO A 100 -17.597 6.599 -1.020 1.00 0.00 O ATOM 1460 CB PRO A 100 -16.809 3.752 -1.378 1.00 0.00 C ATOM 1461 CG PRO A 100 -16.075 4.231 -2.583 1.00 0.00 C ATOM 1462 CD PRO A 100 -17.093 4.301 -3.687 1.00 0.00 C ATOM 0 HA PRO A 100 -19.001 3.699 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.331 4.095 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.834 2.663 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -15.626 5.208 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.264 3.550 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.877 5.113 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -17.117 3.380 -4.270 1.00 0.00 H new ATOM 1470 N TRP A 101 -19.257 5.692 0.197 1.00 0.00 N ATOM 1471 CA TRP A 101 -19.467 6.888 1.004 1.00 0.00 C ATOM 1472 C TRP A 101 -18.688 6.806 2.312 1.00 0.00 C ATOM 1473 O TRP A 101 -19.145 6.200 3.281 1.00 0.00 O ATOM 1474 CB TRP A 101 -20.957 7.077 1.294 1.00 0.00 C ATOM 1475 CG TRP A 101 -21.225 7.996 2.448 1.00 0.00 C ATOM 1476 CD1 TRP A 101 -21.529 7.634 3.730 1.00 0.00 C ATOM 1477 CD2 TRP A 101 -21.215 9.427 2.424 1.00 0.00 C ATOM 1478 NE1 TRP A 101 -21.709 8.755 4.504 1.00 0.00 N ATOM 1479 CE2 TRP A 101 -21.521 9.868 3.727 1.00 0.00 C ATOM 1480 CE3 TRP A 101 -20.976 10.380 1.430 1.00 0.00 C ATOM 1481 CZ2 TRP A 101 -21.594 11.218 4.058 1.00 0.00 C ATOM 1482 CZ3 TRP A 101 -21.050 11.720 1.760 1.00 0.00 C ATOM 1483 CH2 TRP A 101 -21.356 12.129 3.065 1.00 0.00 C ATOM 0 H TRP A 101 -19.874 4.913 0.429 1.00 0.00 H new ATOM 0 HA TRP A 101 -19.102 7.746 0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -21.446 7.471 0.403 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -21.406 6.105 1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -21.615 6.617 4.083 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -21.944 8.758 5.496 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -20.738 10.075 0.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -21.830 11.535 5.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -20.869 12.465 0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -21.405 13.184 3.291 1.00 0.00 H new ATOM 1494 N GLY A 102 -17.508 7.419 2.333 1.00 0.00 N ATOM 1495 CA GLY A 102 -16.685 7.403 3.528 1.00 0.00 C ATOM 1496 C GLY A 102 -16.876 8.642 4.380 1.00 0.00 C ATOM 1497 O GLY A 102 -18.002 9.088 4.598 1.00 0.00 O ATOM 0 H GLY A 102 -17.108 7.926 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.925 6.519 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.636 7.320 3.242 1.00 0.00 H new ATOM 1501 N LYS A 103 -15.772 9.200 4.866 1.00 0.00 N ATOM 1502 CA LYS A 103 -15.821 10.395 5.700 1.00 0.00 C ATOM 1503 C LYS A 103 -14.427 10.985 5.887 1.00 0.00 C ATOM 1504 O LYS A 103 -13.539 10.340 6.443 1.00 0.00 O ATOM 1505 CB LYS A 103 -16.434 10.066 7.063 1.00 0.00 C ATOM 1506 CG LYS A 103 -16.664 11.287 7.937 1.00 0.00 C ATOM 1507 CD LYS A 103 -17.387 10.923 9.223 1.00 0.00 C ATOM 1508 CE LYS A 103 -16.416 10.446 10.292 1.00 0.00 C ATOM 1509 NZ LYS A 103 -16.165 8.981 10.199 1.00 0.00 N ATOM 0 H LYS A 103 -14.832 8.843 4.696 1.00 0.00 H new ATOM 0 HA LYS A 103 -16.445 11.134 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -17.384 9.554 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -15.779 9.371 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.707 11.751 8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.248 12.025 7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -17.937 11.789 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -18.120 10.142 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.473 10.983 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.815 10.684 11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.274 8.550 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.847 8.553 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.198 8.816 9.853 1.00 0.00 H new ATOM 1523 N MET A 104 -14.243 12.216 5.420 1.00 0.00 N ATOM 1524 CA MET A 104 -12.957 12.894 5.539 1.00 0.00 C ATOM 1525 C MET A 104 -12.717 13.357 6.972 1.00 0.00 C ATOM 1526 O MET A 104 -13.447 14.202 7.491 1.00 0.00 O ATOM 1527 CB MET A 104 -12.897 14.090 4.587 1.00 0.00 C ATOM 1528 CG MET A 104 -11.543 14.781 4.564 1.00 0.00 C ATOM 1529 SD MET A 104 -11.608 16.410 3.793 1.00 0.00 S ATOM 1530 CE MET A 104 -12.200 17.407 5.158 1.00 0.00 C ATOM 0 H MET A 104 -14.968 12.764 4.956 1.00 0.00 H new ATOM 0 HA MET A 104 -12.174 12.185 5.270 1.00 0.00 H new ATOM 0 HB2 MET A 104 -13.142 13.754 3.579 1.00 0.00 H new ATOM 0 HB3 MET A 104 -13.660 14.813 4.876 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.173 14.881 5.584 1.00 0.00 H new ATOM 0 HG3 MET A 104 -10.830 14.157 4.026 1.00 0.00 H new ATOM 0 HE1 MET A 104 -12.293 18.445 4.837 1.00 0.00 H new ATOM 0 HE2 MET A 104 -13.174 17.039 5.482 1.00 0.00 H new ATOM 0 HE3 MET A 104 -11.495 17.345 5.987 1.00 0.00 H new ATOM 1540 N GLU A 105 -11.691 12.799 7.606 1.00 0.00 N ATOM 1541 CA GLU A 105 -11.357 13.156 8.980 1.00 0.00 C ATOM 1542 C GLU A 105 -10.651 14.507 9.036 1.00 0.00 C ATOM 1543 O GLU A 105 -10.288 15.073 8.004 1.00 0.00 O ATOM 1544 CB GLU A 105 -10.470 12.079 9.609 1.00 0.00 C ATOM 1545 CG GLU A 105 -9.097 11.971 8.969 1.00 0.00 C ATOM 1546 CD GLU A 105 -8.434 10.632 9.230 1.00 0.00 C ATOM 1547 OE1 GLU A 105 -9.077 9.592 8.977 1.00 0.00 O ATOM 1548 OE2 GLU A 105 -7.272 10.625 9.688 1.00 0.00 O ATOM 0 H GLU A 105 -11.077 12.098 7.191 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.286 13.228 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.351 12.293 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.974 11.115 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.189 12.123 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.459 12.768 9.350 1.00 0.00 H new ATOM 1555 N VAL A 106 -10.461 15.020 10.247 1.00 0.00 N ATOM 1556 CA VAL A 106 -9.798 16.305 10.438 1.00 0.00 C ATOM 1557 C VAL A 106 -9.003 16.325 11.739 1.00 0.00 C ATOM 1558 O VAL A 106 -9.493 15.899 12.785 1.00 0.00 O ATOM 1559 CB VAL A 106 -10.813 17.463 10.452 1.00 0.00 C ATOM 1560 CG1 VAL A 106 -11.714 17.369 11.674 1.00 0.00 C ATOM 1561 CG2 VAL A 106 -10.093 18.802 10.412 1.00 0.00 C ATOM 0 H VAL A 106 -10.757 14.566 11.111 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.117 16.438 9.597 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.439 17.386 9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.425 18.196 11.667 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.257 16.424 11.654 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.107 17.420 12.578 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.825 19.609 10.422 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -9.442 18.891 11.282 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.495 18.866 9.503 1.00 0.00 H new ATOM 1571 N PHE A 107 -7.773 16.823 11.666 1.00 0.00 N ATOM 1572 CA PHE A 107 -6.909 16.899 12.838 1.00 0.00 C ATOM 1573 C PHE A 107 -5.793 17.918 12.626 1.00 0.00 C ATOM 1574 O PHE A 107 -5.279 18.070 11.517 1.00 0.00 O ATOM 1575 CB PHE A 107 -6.309 15.525 13.145 1.00 0.00 C ATOM 1576 CG PHE A 107 -7.304 14.548 13.703 1.00 0.00 C ATOM 1577 CD1 PHE A 107 -7.580 14.519 15.061 1.00 0.00 C ATOM 1578 CD2 PHE A 107 -7.963 13.658 12.870 1.00 0.00 C ATOM 1579 CE1 PHE A 107 -8.494 13.620 15.577 1.00 0.00 C ATOM 1580 CE2 PHE A 107 -8.878 12.757 13.380 1.00 0.00 C ATOM 1581 CZ PHE A 107 -9.145 12.739 14.735 1.00 0.00 C ATOM 0 H PHE A 107 -7.352 17.180 10.808 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.515 17.221 13.685 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.880 15.113 12.232 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.491 15.645 13.856 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -7.075 15.207 15.723 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.759 13.669 11.810 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -8.699 13.606 16.637 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -9.384 12.068 12.720 1.00 0.00 H new ATOM 0 HZ PHE A 107 -9.862 12.037 15.136 1.00 0.00 H new ATOM 1591 N ARG A 108 -5.423 18.613 13.697 1.00 0.00 N ATOM 1592 CA ARG A 108 -4.370 19.619 13.628 1.00 0.00 C ATOM 1593 C ARG A 108 -3.031 19.035 14.068 1.00 0.00 C ATOM 1594 O ARG A 108 -2.673 19.093 15.244 1.00 0.00 O ATOM 1595 CB ARG A 108 -4.726 20.821 14.504 1.00 0.00 C ATOM 1596 CG ARG A 108 -3.850 22.038 14.254 1.00 0.00 C ATOM 1597 CD ARG A 108 -3.788 22.941 15.476 1.00 0.00 C ATOM 1598 NE ARG A 108 -2.600 23.791 15.469 1.00 0.00 N ATOM 1599 CZ ARG A 108 -2.420 24.795 14.618 1.00 0.00 C ATOM 1600 NH1 ARG A 108 -3.346 25.073 13.710 1.00 0.00 N ATOM 1601 NH2 ARG A 108 -1.313 25.523 14.674 1.00 0.00 N ATOM 0 H ARG A 108 -5.837 18.498 14.622 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.282 19.946 12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.767 21.091 14.329 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.643 20.533 15.552 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.844 21.715 13.988 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.239 22.600 13.405 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.681 23.566 15.511 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.791 22.330 16.379 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.869 23.603 16.155 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.199 24.515 13.664 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.205 25.844 13.058 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.599 25.312 15.371 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.176 26.294 14.020 1.00 0.00 H new ATOM 1615 N SER A 109 -2.296 18.471 13.115 1.00 0.00 N ATOM 1616 CA SER A 109 -0.998 17.872 13.404 1.00 0.00 C ATOM 1617 C SER A 109 0.133 18.734 12.853 1.00 0.00 C ATOM 1618 O SER A 109 1.099 18.223 12.287 1.00 0.00 O ATOM 1619 CB SER A 109 -0.918 16.464 12.809 1.00 0.00 C ATOM 1620 OG SER A 109 -1.640 15.535 13.599 1.00 0.00 O ATOM 0 H SER A 109 -2.577 18.416 12.136 1.00 0.00 H new ATOM 0 HA SER A 109 -0.888 17.808 14.487 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.317 16.471 11.795 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.125 16.154 12.739 1.00 0.00 H new ATOM 0 HG SER A 109 -1.575 14.644 13.197 1.00 0.00 H new ATOM 1626 N GLY A 110 0.006 20.047 13.022 1.00 0.00 N ATOM 1627 CA GLY A 110 1.023 20.960 12.537 1.00 0.00 C ATOM 1628 C GLY A 110 0.951 21.164 11.036 1.00 0.00 C ATOM 1629 O GLY A 110 0.313 20.398 10.314 1.00 0.00 O ATOM 0 H GLY A 110 -0.784 20.494 13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.912 21.922 13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 110 2.008 20.576 12.802 1.00 0.00 H new ATOM 1633 N PRO A 111 1.615 22.222 10.547 1.00 0.00 N ATOM 1634 CA PRO A 111 1.637 22.550 9.118 1.00 0.00 C ATOM 1635 C PRO A 111 2.443 21.543 8.304 1.00 0.00 C ATOM 1636 O PRO A 111 3.497 21.081 8.739 1.00 0.00 O ATOM 1637 CB PRO A 111 2.307 23.926 9.081 1.00 0.00 C ATOM 1638 CG PRO A 111 3.141 23.975 10.315 1.00 0.00 C ATOM 1639 CD PRO A 111 2.396 23.178 11.349 1.00 0.00 C ATOM 0 HA PRO A 111 0.639 22.534 8.681 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.917 24.045 8.186 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.567 24.726 9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.130 23.553 10.135 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.288 25.003 10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.077 22.668 12.031 1.00 0.00 H new ATOM 0 HD3 PRO A 111 1.752 23.812 11.958 1.00 0.00 H new ATOM 1647 N SER A 112 1.939 21.208 7.121 1.00 0.00 N ATOM 1648 CA SER A 112 2.611 20.253 6.247 1.00 0.00 C ATOM 1649 C SER A 112 3.041 20.918 4.943 1.00 0.00 C ATOM 1650 O SER A 112 2.347 21.791 4.421 1.00 0.00 O ATOM 1651 CB SER A 112 1.690 19.067 5.949 1.00 0.00 C ATOM 1652 OG SER A 112 2.366 18.073 5.199 1.00 0.00 O ATOM 0 H SER A 112 1.068 21.583 6.745 1.00 0.00 H new ATOM 0 HA SER A 112 3.502 19.892 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 112 1.329 18.639 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.815 19.411 5.397 1.00 0.00 H new ATOM 0 HG SER A 112 1.757 17.325 5.023 1.00 0.00 H new ATOM 1658 N SER A 113 4.190 20.498 4.423 1.00 0.00 N ATOM 1659 CA SER A 113 4.715 21.055 3.182 1.00 0.00 C ATOM 1660 C SER A 113 4.921 19.961 2.140 1.00 0.00 C ATOM 1661 O SER A 113 4.343 20.005 1.055 1.00 0.00 O ATOM 1662 CB SER A 113 6.037 21.781 3.444 1.00 0.00 C ATOM 1663 OG SER A 113 5.811 23.119 3.852 1.00 0.00 O ATOM 0 H SER A 113 4.775 19.774 4.842 1.00 0.00 H new ATOM 0 HA SER A 113 3.987 21.768 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 113 6.599 21.253 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 113 6.647 21.771 2.540 1.00 0.00 H new ATOM 0 HG SER A 113 6.670 23.561 4.015 1.00 0.00 H new ATOM 1669 N GLY A 114 5.751 18.978 2.478 1.00 0.00 N ATOM 1670 CA GLY A 114 6.020 17.885 1.562 1.00 0.00 C ATOM 1671 C GLY A 114 6.380 16.601 2.281 1.00 0.00 C ATOM 1672 O GLY A 114 7.046 16.659 3.314 1.00 0.00 O ATOM 0 H GLY A 114 6.242 18.920 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.143 17.714 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.836 18.166 0.896 1.00 0.00 H new TER 1676 GLY A 114 HETATM 1677 ZN ZN A 201 4.794 -10.431 -7.473 1.00 0.00 ZN HETATM 1678 ZN ZN A 401 -7.441 -13.538 -3.473 1.00 0.00 ZN