USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 680 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 25 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 168:sc= 0.871 (180deg=0.518) USER MOD Set 2.2: A 28 HIS : no HD1:sc= 0.825 K(o=1.7,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0202 (180deg=-0.272) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0468 (180deg=-0.0289) USER MOD Single : A 7 GLN : amide:sc= 0.96 K(o=0.96,f=-6.4!) USER MOD Single : A 11 ASN : amide:sc= -0.045 K(o=-0.045,f=-4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 1.79 (180deg=1.61) USER MOD Single : A 22 GLN : amide:sc= 0.482 K(o=0.48,f=-0.6) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -0.023 (180deg=-0.19) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -130:sc= 0.969 USER MOD Single : A 36 SER OG : rot -92:sc= 0.196 USER MOD Single : A 37 MET CE :methyl -155:sc= 0 (180deg=-0.723) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc=-0.000814 (180deg=-0.112) USER MOD Single : A 43 SER OG : rot -110:sc= 0.854 USER MOD Single : A 48 THR OG1 : rot -34:sc= 0.426 USER MOD Single : A 53 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.8) USER MOD Single : A 54 SER OG : rot -30:sc= -2.32! USER MOD Single : A 65 ASN : amide:sc= 0.83 K(o=0.83,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -0.318 (180deg=-1.39!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 75 MET CE :methyl -112:sc= 0 (180deg=-1.19) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.4!) USER MOD Single : A 87 GLN : amide:sc= -0.0103 K(o=-0.01,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.106 -15.948 -2.969 1.00 0.00 N ATOM 2 CA MET A 1 8.101 -14.904 -2.698 1.00 0.00 C ATOM 3 C MET A 1 7.200 -14.716 -3.896 1.00 0.00 C ATOM 4 O MET A 1 7.602 -14.987 -5.028 1.00 0.00 O ATOM 5 CB MET A 1 8.772 -13.570 -2.345 1.00 0.00 C ATOM 6 CG MET A 1 9.479 -13.564 -1.001 1.00 0.00 C ATOM 7 SD MET A 1 10.327 -12.005 -0.667 1.00 0.00 S ATOM 8 CE MET A 1 8.932 -10.893 -0.460 1.00 0.00 C ATOM 0 H1 MET A 1 8.887 -16.795 -2.407 1.00 0.00 H new ATOM 0 H2 MET A 1 9.091 -16.190 -3.980 1.00 0.00 H new ATOM 0 H3 MET A 1 10.050 -15.596 -2.711 1.00 0.00 H new ATOM 0 HA MET A 1 7.505 -15.230 -1.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.494 -13.322 -3.123 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.017 -12.784 -2.349 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.752 -13.754 -0.212 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.202 -14.380 -0.971 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.276 -9.954 -0.026 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.475 -10.698 -1.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.197 -11.351 0.202 1.00 0.00 H new ATOM 18 N ALA A 2 5.985 -14.268 -3.649 1.00 0.00 N ATOM 19 CA ALA A 2 5.034 -14.013 -4.714 1.00 0.00 C ATOM 20 C ALA A 2 5.451 -12.785 -5.514 1.00 0.00 C ATOM 21 O ALA A 2 6.088 -11.869 -4.975 1.00 0.00 O ATOM 22 CB ALA A 2 3.635 -13.828 -4.144 1.00 0.00 C ATOM 0 H ALA A 2 5.631 -14.072 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 2 5.022 -14.874 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.933 -13.637 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.337 -14.731 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.631 -12.983 -3.456 1.00 0.00 H new ATOM 28 N ASP A 3 5.110 -12.773 -6.798 1.00 0.00 N ATOM 29 CA ASP A 3 5.439 -11.645 -7.668 1.00 0.00 C ATOM 30 C ASP A 3 4.780 -10.378 -7.155 1.00 0.00 C ATOM 31 O ASP A 3 3.640 -10.412 -6.686 1.00 0.00 O ATOM 32 CB ASP A 3 5.006 -11.917 -9.114 1.00 0.00 C ATOM 33 CG ASP A 3 5.769 -13.060 -9.754 1.00 0.00 C ATOM 34 OD1 ASP A 3 7.002 -12.950 -9.898 1.00 0.00 O ATOM 35 OD2 ASP A 3 5.138 -14.071 -10.130 1.00 0.00 O ATOM 0 H ASP A 3 4.606 -13.530 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 3 6.521 -11.514 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.940 -12.144 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.150 -11.014 -9.707 1.00 0.00 H new ATOM 40 N ASP A 4 5.492 -9.265 -7.251 1.00 0.00 N ATOM 41 CA ASP A 4 5.008 -7.986 -6.719 1.00 0.00 C ATOM 42 C ASP A 4 3.731 -7.553 -7.413 1.00 0.00 C ATOM 43 O ASP A 4 2.809 -7.048 -6.773 1.00 0.00 O ATOM 44 CB ASP A 4 6.069 -6.902 -6.884 1.00 0.00 C ATOM 45 CG ASP A 4 7.328 -7.197 -6.108 1.00 0.00 C ATOM 46 OD1 ASP A 4 7.244 -7.423 -4.886 1.00 0.00 O ATOM 47 OD2 ASP A 4 8.410 -7.222 -6.724 1.00 0.00 O ATOM 0 H ASP A 4 6.410 -9.215 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 4 4.799 -8.128 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.315 -6.798 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.660 -5.946 -6.556 1.00 0.00 H new ATOM 52 N ALA A 5 3.695 -7.750 -8.729 1.00 0.00 N ATOM 53 CA ALA A 5 2.535 -7.417 -9.563 1.00 0.00 C ATOM 54 C ALA A 5 2.218 -5.915 -9.555 1.00 0.00 C ATOM 55 O ALA A 5 1.160 -5.503 -10.039 1.00 0.00 O ATOM 56 CB ALA A 5 1.313 -8.232 -9.140 1.00 0.00 C ATOM 0 H ALA A 5 4.474 -8.148 -9.254 1.00 0.00 H new ATOM 0 HA ALA A 5 2.794 -7.680 -10.588 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.464 -7.969 -9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.530 -9.295 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.072 -8.014 -8.100 1.00 0.00 H new ATOM 62 N ALA A 6 3.152 -5.108 -9.017 1.00 0.00 N ATOM 63 CA ALA A 6 3.024 -3.646 -8.958 1.00 0.00 C ATOM 64 C ALA A 6 1.896 -3.198 -8.026 1.00 0.00 C ATOM 65 O ALA A 6 0.750 -3.630 -8.159 1.00 0.00 O ATOM 66 CB ALA A 6 2.846 -3.057 -10.354 1.00 0.00 C ATOM 0 H ALA A 6 4.020 -5.457 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 6 3.954 -3.262 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.754 -1.973 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.711 -3.308 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.946 -3.469 -10.811 1.00 0.00 H new ATOM 72 N GLN A 7 2.226 -2.329 -7.080 1.00 0.00 N ATOM 73 CA GLN A 7 1.237 -1.812 -6.151 1.00 0.00 C ATOM 74 C GLN A 7 0.263 -0.893 -6.877 1.00 0.00 C ATOM 75 O GLN A 7 0.521 -0.473 -8.014 1.00 0.00 O ATOM 76 CB GLN A 7 1.898 -1.071 -4.973 1.00 0.00 C ATOM 77 CG GLN A 7 2.506 0.291 -5.320 1.00 0.00 C ATOM 78 CD GLN A 7 3.947 0.212 -5.785 1.00 0.00 C ATOM 79 OE1 GLN A 7 4.370 -0.769 -6.384 1.00 0.00 O ATOM 80 NE2 GLN A 7 4.707 1.251 -5.511 1.00 0.00 N ATOM 0 H GLN A 7 3.170 -1.969 -6.938 1.00 0.00 H new ATOM 0 HA GLN A 7 0.689 -2.660 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.154 -0.930 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.681 -1.706 -4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.906 0.759 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.450 0.938 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.318 2.050 -5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.685 1.258 -5.800 1.00 0.00 H new ATOM 89 N ALA A 8 -0.852 -0.597 -6.235 1.00 0.00 N ATOM 90 CA ALA A 8 -1.881 0.238 -6.825 1.00 0.00 C ATOM 91 C ALA A 8 -1.367 1.642 -7.110 1.00 0.00 C ATOM 92 O ALA A 8 -1.675 2.227 -8.149 1.00 0.00 O ATOM 93 CB ALA A 8 -3.093 0.294 -5.915 1.00 0.00 C ATOM 0 H ALA A 8 -1.069 -0.927 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.169 -0.208 -7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.859 0.923 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.488 -0.712 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.805 0.711 -4.950 1.00 0.00 H new ATOM 99 N GLY A 9 -0.585 2.180 -6.184 1.00 0.00 N ATOM 100 CA GLY A 9 -0.068 3.520 -6.339 1.00 0.00 C ATOM 101 C GLY A 9 -1.016 4.529 -5.754 1.00 0.00 C ATOM 102 O GLY A 9 -0.713 5.723 -5.656 1.00 0.00 O ATOM 0 H GLY A 9 -0.300 1.708 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.902 3.599 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.091 3.733 -7.396 1.00 0.00 H new ATOM 106 N ASP A 10 -2.160 4.032 -5.358 1.00 0.00 N ATOM 107 CA ASP A 10 -3.210 4.834 -4.773 1.00 0.00 C ATOM 108 C ASP A 10 -2.957 5.001 -3.283 1.00 0.00 C ATOM 109 O ASP A 10 -3.492 4.253 -2.456 1.00 0.00 O ATOM 110 CB ASP A 10 -4.566 4.162 -5.022 1.00 0.00 C ATOM 111 CG ASP A 10 -5.738 4.945 -4.469 1.00 0.00 C ATOM 112 OD1 ASP A 10 -6.049 6.028 -5.007 1.00 0.00 O ATOM 113 OD2 ASP A 10 -6.369 4.470 -3.507 1.00 0.00 O ATOM 0 H ASP A 10 -2.394 3.042 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.220 5.821 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.704 4.026 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.558 3.169 -4.573 1.00 0.00 H new ATOM 118 N ASN A 11 -2.115 5.964 -2.947 1.00 0.00 N ATOM 119 CA ASN A 11 -1.733 6.211 -1.598 1.00 0.00 C ATOM 120 C ASN A 11 -1.128 7.585 -1.502 1.00 0.00 C ATOM 121 O ASN A 11 -0.994 8.291 -2.509 1.00 0.00 O ATOM 122 CB ASN A 11 -0.724 5.147 -1.110 1.00 0.00 C ATOM 123 CG ASN A 11 0.582 5.103 -1.914 1.00 0.00 C ATOM 124 OD1 ASN A 11 1.093 6.122 -2.386 1.00 0.00 O ATOM 125 ND2 ASN A 11 1.107 3.916 -2.099 1.00 0.00 N ATOM 0 H ASN A 11 -1.682 6.594 -3.622 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.616 6.153 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.487 5.340 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.198 4.166 -1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.962 3.816 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.661 3.092 -1.696 1.00 0.00 H new ATOM 132 N ALA A 12 -0.764 7.955 -0.320 1.00 0.00 N ATOM 133 CA ALA A 12 -0.128 9.226 -0.071 1.00 0.00 C ATOM 134 C ALA A 12 0.488 9.235 1.313 1.00 0.00 C ATOM 135 O ALA A 12 1.707 9.136 1.464 1.00 0.00 O ATOM 136 CB ALA A 12 -1.122 10.364 -0.247 1.00 0.00 C ATOM 0 H ALA A 12 -0.896 7.385 0.516 1.00 0.00 H new ATOM 0 HA ALA A 12 0.671 9.373 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.624 11.315 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.508 10.356 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.947 10.238 0.454 1.00 0.00 H new ATOM 142 N GLU A 13 -0.349 9.344 2.321 1.00 0.00 N ATOM 143 CA GLU A 13 0.115 9.300 3.702 1.00 0.00 C ATOM 144 C GLU A 13 -0.355 8.037 4.352 1.00 0.00 C ATOM 145 O GLU A 13 0.114 7.630 5.421 1.00 0.00 O ATOM 146 CB GLU A 13 -0.390 10.507 4.471 1.00 0.00 C ATOM 147 CG GLU A 13 0.041 11.828 3.880 1.00 0.00 C ATOM 148 CD GLU A 13 -0.554 12.998 4.612 1.00 0.00 C ATOM 149 OE1 GLU A 13 0.142 13.583 5.467 1.00 0.00 O ATOM 150 OE2 GLU A 13 -1.728 13.338 4.341 1.00 0.00 O ATOM 0 H GLU A 13 -1.357 9.464 2.217 1.00 0.00 H new ATOM 0 HA GLU A 13 1.205 9.321 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.479 10.474 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.034 10.446 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.128 11.899 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.255 11.869 2.832 1.00 0.00 H new ATOM 157 N TYR A 14 -1.261 7.428 3.684 1.00 0.00 N ATOM 158 CA TYR A 14 -1.906 6.220 4.132 1.00 0.00 C ATOM 159 C TYR A 14 -2.053 5.236 2.980 1.00 0.00 C ATOM 160 O TYR A 14 -1.999 5.617 1.810 1.00 0.00 O ATOM 161 CB TYR A 14 -3.271 6.527 4.760 1.00 0.00 C ATOM 162 CG TYR A 14 -3.207 7.424 5.983 1.00 0.00 C ATOM 163 CD1 TYR A 14 -3.326 8.805 5.870 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.030 6.887 7.248 1.00 0.00 C ATOM 165 CE1 TYR A 14 -3.268 9.619 6.987 1.00 0.00 C ATOM 166 CE2 TYR A 14 -2.972 7.692 8.367 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.091 9.055 8.233 1.00 0.00 C ATOM 168 OH TYR A 14 -3.032 9.857 9.348 1.00 0.00 O ATOM 0 H TYR A 14 -1.596 7.755 2.778 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.279 5.764 4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.905 6.999 4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.750 5.588 5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.466 9.249 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.936 5.817 7.360 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.361 10.690 6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.834 7.253 9.344 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.905 9.301 10.145 1.00 0.00 H new ATOM 178 N ILE A 15 -2.251 3.989 3.323 1.00 0.00 N ATOM 179 CA ILE A 15 -2.332 2.902 2.370 1.00 0.00 C ATOM 180 C ILE A 15 -3.717 2.273 2.427 1.00 0.00 C ATOM 181 O ILE A 15 -4.474 2.492 3.375 1.00 0.00 O ATOM 182 CB ILE A 15 -1.299 1.813 2.707 1.00 0.00 C ATOM 183 CG1 ILE A 15 -1.752 1.034 3.937 1.00 0.00 C ATOM 184 CG2 ILE A 15 0.051 2.439 2.943 1.00 0.00 C ATOM 185 CD1 ILE A 15 -0.794 -0.032 4.385 1.00 0.00 C ATOM 0 H ILE A 15 -2.363 3.690 4.292 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.134 3.304 1.377 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.217 1.122 1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.907 1.734 4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.716 0.573 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.776 1.661 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.369 2.969 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.014 3.141 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.195 -0.535 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.656 -0.757 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.166 0.422 4.633 1.00 0.00 H new ATOM 197 N LYS A 16 -4.050 1.523 1.418 1.00 0.00 N ATOM 198 CA LYS A 16 -5.337 0.861 1.355 1.00 0.00 C ATOM 199 C LYS A 16 -5.242 -0.570 1.846 1.00 0.00 C ATOM 200 O LYS A 16 -4.254 -1.237 1.615 1.00 0.00 O ATOM 201 CB LYS A 16 -5.843 0.878 -0.066 1.00 0.00 C ATOM 202 CG LYS A 16 -7.033 1.787 -0.291 1.00 0.00 C ATOM 203 CD LYS A 16 -8.332 1.146 0.188 1.00 0.00 C ATOM 204 CE LYS A 16 -8.587 -0.194 -0.499 1.00 0.00 C ATOM 205 NZ LYS A 16 -8.736 -0.061 -1.972 1.00 0.00 N ATOM 0 H LYS A 16 -3.446 1.348 0.615 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.031 1.397 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.032 1.190 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.116 -0.137 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.876 2.729 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.114 2.024 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.289 0.999 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.165 1.821 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.763 -0.873 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.489 -0.645 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.703 -1.003 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.647 0.391 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.962 0.523 -2.348 1.00 0.00 H new ATOM 219 N ILE A 17 -6.252 -1.014 2.557 1.00 0.00 N ATOM 220 CA ILE A 17 -6.323 -2.398 3.011 1.00 0.00 C ATOM 221 C ILE A 17 -7.741 -2.947 2.910 1.00 0.00 C ATOM 222 O ILE A 17 -8.709 -2.251 3.231 1.00 0.00 O ATOM 223 CB ILE A 17 -5.786 -2.592 4.450 1.00 0.00 C ATOM 224 CG1 ILE A 17 -4.297 -2.256 4.516 1.00 0.00 C ATOM 225 CG2 ILE A 17 -6.022 -4.017 4.918 1.00 0.00 C ATOM 226 CD1 ILE A 17 -3.725 -2.325 5.904 1.00 0.00 C ATOM 0 H ILE A 17 -7.045 -0.438 2.839 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.673 -2.961 2.341 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.326 -1.914 5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.749 -2.944 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.141 -1.253 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.638 -4.135 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.091 -4.231 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.507 -4.709 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.665 -2.074 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.247 -1.617 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.848 -3.334 6.299 1.00 0.00 H new ATOM 238 N LYS A 18 -7.865 -4.181 2.443 1.00 0.00 N ATOM 239 CA LYS A 18 -9.158 -4.816 2.344 1.00 0.00 C ATOM 240 C LYS A 18 -9.332 -5.792 3.500 1.00 0.00 C ATOM 241 O LYS A 18 -8.710 -6.857 3.528 1.00 0.00 O ATOM 242 CB LYS A 18 -9.315 -5.575 1.021 1.00 0.00 C ATOM 243 CG LYS A 18 -8.616 -4.930 -0.177 1.00 0.00 C ATOM 244 CD LYS A 18 -9.099 -5.543 -1.482 1.00 0.00 C ATOM 245 CE LYS A 18 -8.406 -6.857 -1.790 1.00 0.00 C ATOM 246 NZ LYS A 18 -6.987 -6.648 -2.169 1.00 0.00 N ATOM 0 H LYS A 18 -7.084 -4.756 2.129 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.919 -4.036 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.926 -6.585 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.377 -5.669 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.809 -3.857 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.537 -5.060 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.175 -5.706 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.923 -4.842 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.459 -7.510 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.929 -7.364 -2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.576 -7.549 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.932 -5.952 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.456 -6.296 -1.347 1.00 0.00 H new ATOM 260 N VAL A 19 -10.151 -5.416 4.451 1.00 0.00 N ATOM 261 CA VAL A 19 -10.442 -6.248 5.592 1.00 0.00 C ATOM 262 C VAL A 19 -11.513 -7.258 5.226 1.00 0.00 C ATOM 263 O VAL A 19 -12.611 -6.878 4.848 1.00 0.00 O ATOM 264 CB VAL A 19 -10.956 -5.384 6.765 1.00 0.00 C ATOM 265 CG1 VAL A 19 -11.369 -6.245 7.935 1.00 0.00 C ATOM 266 CG2 VAL A 19 -9.908 -4.369 7.191 1.00 0.00 C ATOM 0 H VAL A 19 -10.637 -4.519 4.455 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.528 -6.762 5.890 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.836 -4.842 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.726 -5.610 8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.166 -6.921 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.513 -6.826 8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.294 -3.773 8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.005 -4.890 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.672 -3.715 6.351 1.00 0.00 H new ATOM 276 N VAL A 20 -11.194 -8.533 5.328 1.00 0.00 N ATOM 277 CA VAL A 20 -12.153 -9.571 5.012 1.00 0.00 C ATOM 278 C VAL A 20 -12.567 -10.300 6.279 1.00 0.00 C ATOM 279 O VAL A 20 -11.736 -10.900 6.965 1.00 0.00 O ATOM 280 CB VAL A 20 -11.573 -10.595 4.005 1.00 0.00 C ATOM 281 CG1 VAL A 20 -12.604 -11.667 3.668 1.00 0.00 C ATOM 282 CG2 VAL A 20 -11.087 -9.897 2.742 1.00 0.00 C ATOM 0 H VAL A 20 -10.280 -8.874 5.627 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.019 -9.090 4.557 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.718 -11.082 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.174 -12.375 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.892 -12.194 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.484 -11.199 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.684 -10.636 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.920 -9.375 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.308 -9.179 3.000 1.00 0.00 H new ATOM 292 N GLY A 21 -13.845 -10.237 6.591 1.00 0.00 N ATOM 293 CA GLY A 21 -14.342 -10.902 7.777 1.00 0.00 C ATOM 294 C GLY A 21 -14.783 -12.319 7.504 1.00 0.00 C ATOM 295 O GLY A 21 -14.907 -12.723 6.349 1.00 0.00 O ATOM 0 H GLY A 21 -14.550 -9.739 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.563 -10.908 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.181 -10.336 8.182 1.00 0.00 H new ATOM 299 N GLN A 22 -15.048 -13.075 8.567 1.00 0.00 N ATOM 300 CA GLN A 22 -15.478 -14.470 8.434 1.00 0.00 C ATOM 301 C GLN A 22 -16.863 -14.546 7.852 1.00 0.00 C ATOM 302 O GLN A 22 -17.252 -15.547 7.253 1.00 0.00 O ATOM 303 CB GLN A 22 -15.423 -15.197 9.770 1.00 0.00 C ATOM 304 CG GLN A 22 -14.020 -15.350 10.323 1.00 0.00 C ATOM 305 CD GLN A 22 -13.110 -16.159 9.415 1.00 0.00 C ATOM 306 OE1 GLN A 22 -13.549 -17.091 8.744 1.00 0.00 O ATOM 307 NE2 GLN A 22 -11.848 -15.785 9.365 1.00 0.00 N ATOM 0 H GLN A 22 -14.973 -12.748 9.530 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.786 -14.966 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.032 -14.655 10.494 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.868 -16.185 9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.586 -14.362 10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.071 -15.831 11.300 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.524 -15.006 9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.195 -16.274 8.753 1.00 0.00 H new ATOM 316 N ASP A 23 -17.601 -13.480 8.035 1.00 0.00 N ATOM 317 CA ASP A 23 -18.931 -13.332 7.460 1.00 0.00 C ATOM 318 C ASP A 23 -18.819 -13.163 5.931 1.00 0.00 C ATOM 319 O ASP A 23 -19.820 -13.016 5.234 1.00 0.00 O ATOM 320 CB ASP A 23 -19.619 -12.104 8.083 1.00 0.00 C ATOM 321 CG ASP A 23 -21.058 -11.927 7.642 1.00 0.00 C ATOM 322 OD1 ASP A 23 -21.914 -12.731 8.058 1.00 0.00 O ATOM 323 OD2 ASP A 23 -21.344 -10.972 6.894 1.00 0.00 O ATOM 0 H ASP A 23 -17.301 -12.679 8.591 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.525 -14.221 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.589 -12.193 9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -19.054 -11.209 7.820 1.00 0.00 H new ATOM 328 N SER A 24 -17.565 -13.217 5.431 1.00 0.00 N ATOM 329 CA SER A 24 -17.241 -13.005 4.020 1.00 0.00 C ATOM 330 C SER A 24 -17.468 -11.549 3.672 1.00 0.00 C ATOM 331 O SER A 24 -17.726 -11.185 2.524 1.00 0.00 O ATOM 332 CB SER A 24 -18.067 -13.933 3.122 1.00 0.00 C ATOM 333 OG SER A 24 -17.844 -15.294 3.466 1.00 0.00 O ATOM 0 H SER A 24 -16.747 -13.412 6.009 1.00 0.00 H new ATOM 0 HA SER A 24 -16.192 -13.248 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.126 -13.696 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.801 -13.768 2.078 1.00 0.00 H new ATOM 0 HG SER A 24 -18.381 -15.871 2.883 1.00 0.00 H new ATOM 339 N ASN A 25 -17.323 -10.717 4.688 1.00 0.00 N ATOM 340 CA ASN A 25 -17.527 -9.285 4.559 1.00 0.00 C ATOM 341 C ASN A 25 -16.209 -8.561 4.396 1.00 0.00 C ATOM 342 O ASN A 25 -15.433 -8.449 5.338 1.00 0.00 O ATOM 343 CB ASN A 25 -18.266 -8.742 5.779 1.00 0.00 C ATOM 344 CG ASN A 25 -18.583 -7.259 5.672 1.00 0.00 C ATOM 345 OD1 ASN A 25 -18.826 -6.732 4.583 1.00 0.00 O ATOM 346 ND2 ASN A 25 -18.567 -6.573 6.802 1.00 0.00 N ATOM 0 H ASN A 25 -17.060 -11.016 5.627 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.130 -9.112 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -19.195 -9.297 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.662 -8.915 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.760 -5.571 6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.362 -7.045 7.682 1.00 0.00 H new ATOM 353 N GLU A 26 -15.956 -8.098 3.202 1.00 0.00 N ATOM 354 CA GLU A 26 -14.753 -7.341 2.911 1.00 0.00 C ATOM 355 C GLU A 26 -15.053 -5.849 2.905 1.00 0.00 C ATOM 356 O GLU A 26 -16.036 -5.400 2.308 1.00 0.00 O ATOM 357 CB GLU A 26 -14.140 -7.763 1.572 1.00 0.00 C ATOM 358 CG GLU A 26 -12.924 -6.942 1.165 1.00 0.00 C ATOM 359 CD GLU A 26 -12.394 -7.314 -0.200 1.00 0.00 C ATOM 360 OE1 GLU A 26 -12.404 -6.445 -1.099 1.00 0.00 O ATOM 361 OE2 GLU A 26 -11.969 -8.469 -0.388 1.00 0.00 O ATOM 0 H GLU A 26 -16.572 -8.231 2.400 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.027 -7.553 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.855 -8.813 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.899 -7.681 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.187 -5.884 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.135 -7.078 1.905 1.00 0.00 H new ATOM 368 N VAL A 27 -14.213 -5.093 3.570 1.00 0.00 N ATOM 369 CA VAL A 27 -14.363 -3.660 3.647 1.00 0.00 C ATOM 370 C VAL A 27 -13.029 -2.987 3.386 1.00 0.00 C ATOM 371 O VAL A 27 -11.979 -3.462 3.826 1.00 0.00 O ATOM 372 CB VAL A 27 -14.947 -3.218 5.013 1.00 0.00 C ATOM 373 CG1 VAL A 27 -14.057 -3.663 6.152 1.00 0.00 C ATOM 374 CG2 VAL A 27 -15.162 -1.712 5.054 1.00 0.00 C ATOM 0 H VAL A 27 -13.404 -5.455 4.074 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.073 -3.351 2.880 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.917 -3.701 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.489 -3.340 7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.971 -4.750 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.068 -3.220 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.572 -1.429 6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.210 -1.204 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.858 -1.422 4.267 1.00 0.00 H new ATOM 384 N HIS A 28 -13.064 -1.905 2.652 1.00 0.00 N ATOM 385 CA HIS A 28 -11.859 -1.218 2.272 1.00 0.00 C ATOM 386 C HIS A 28 -11.561 -0.067 3.199 1.00 0.00 C ATOM 387 O HIS A 28 -12.292 0.919 3.249 1.00 0.00 O ATOM 388 CB HIS A 28 -11.958 -0.733 0.832 1.00 0.00 C ATOM 389 CG HIS A 28 -11.917 -1.841 -0.178 1.00 0.00 C ATOM 390 ND1 HIS A 28 -11.550 -1.653 -1.492 1.00 0.00 N ATOM 391 CD2 HIS A 28 -12.214 -3.157 -0.061 1.00 0.00 C ATOM 392 CE1 HIS A 28 -11.624 -2.807 -2.137 1.00 0.00 C ATOM 393 NE2 HIS A 28 -12.024 -3.730 -1.286 1.00 0.00 N ATOM 0 H HIS A 28 -13.922 -1.478 2.303 1.00 0.00 H new ATOM 0 HA HIS A 28 -11.033 -1.925 2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -12.886 -0.174 0.708 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -11.140 -0.041 0.633 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.541 -3.661 0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.396 -2.965 -3.181 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.169 -4.715 -1.507 1.00 0.00 H new ATOM 401 N PHE A 29 -10.490 -0.204 3.931 1.00 0.00 N ATOM 402 CA PHE A 29 -10.052 0.817 4.857 1.00 0.00 C ATOM 403 C PHE A 29 -8.759 1.472 4.426 1.00 0.00 C ATOM 404 O PHE A 29 -7.930 0.865 3.743 1.00 0.00 O ATOM 405 CB PHE A 29 -9.895 0.258 6.266 1.00 0.00 C ATOM 406 CG PHE A 29 -11.186 0.134 7.019 1.00 0.00 C ATOM 407 CD1 PHE A 29 -11.650 -1.096 7.440 1.00 0.00 C ATOM 408 CD2 PHE A 29 -11.935 1.264 7.308 1.00 0.00 C ATOM 409 CE1 PHE A 29 -12.836 -1.198 8.138 1.00 0.00 C ATOM 410 CE2 PHE A 29 -13.122 1.166 8.002 1.00 0.00 C ATOM 411 CZ PHE A 29 -13.572 -0.067 8.418 1.00 0.00 C ATOM 0 H PHE A 29 -9.890 -1.029 3.906 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.832 1.578 4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.425 -0.724 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.218 0.902 6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.080 -1.987 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.584 2.233 6.985 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.188 -2.165 8.465 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -13.697 2.054 8.219 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.501 -0.148 8.963 1.00 0.00 H new ATOM 421 N ARG A 30 -8.613 2.724 4.806 1.00 0.00 N ATOM 422 CA ARG A 30 -7.402 3.469 4.567 1.00 0.00 C ATOM 423 C ARG A 30 -6.669 3.635 5.896 1.00 0.00 C ATOM 424 O ARG A 30 -7.184 4.260 6.821 1.00 0.00 O ATOM 425 CB ARG A 30 -7.729 4.843 3.989 1.00 0.00 C ATOM 426 CG ARG A 30 -6.510 5.715 3.740 1.00 0.00 C ATOM 427 CD ARG A 30 -5.693 5.245 2.546 1.00 0.00 C ATOM 428 NE ARG A 30 -6.421 5.390 1.285 1.00 0.00 N ATOM 429 CZ ARG A 30 -5.918 5.106 0.079 1.00 0.00 C ATOM 430 NH1 ARG A 30 -4.646 4.729 -0.049 1.00 0.00 N ATOM 431 NH2 ARG A 30 -6.683 5.227 -0.998 1.00 0.00 N ATOM 0 H ARG A 30 -9.337 3.253 5.292 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.778 2.933 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.267 4.712 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.401 5.362 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.830 6.744 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.880 5.716 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.766 5.816 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.417 4.200 2.686 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.381 5.732 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.050 4.656 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.268 4.514 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.651 5.536 -0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.304 5.011 -1.920 1.00 0.00 H new ATOM 445 N VAL A 31 -5.492 3.075 5.978 1.00 0.00 N ATOM 446 CA VAL A 31 -4.682 3.118 7.199 1.00 0.00 C ATOM 447 C VAL A 31 -3.233 3.368 6.841 1.00 0.00 C ATOM 448 O VAL A 31 -2.871 3.309 5.694 1.00 0.00 O ATOM 449 CB VAL A 31 -4.785 1.819 8.036 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.213 1.574 8.506 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.270 0.634 7.258 1.00 0.00 C ATOM 0 H VAL A 31 -5.053 2.571 5.207 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.073 3.931 7.811 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.159 1.946 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.251 0.655 9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.541 2.410 9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.870 1.481 7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.353 -0.266 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.859 0.512 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.225 0.798 6.994 1.00 0.00 H new ATOM 461 N LYS A 32 -2.420 3.651 7.810 1.00 0.00 N ATOM 462 CA LYS A 32 -1.028 3.958 7.566 1.00 0.00 C ATOM 463 C LYS A 32 -0.198 2.678 7.591 1.00 0.00 C ATOM 464 O LYS A 32 -0.630 1.670 8.143 1.00 0.00 O ATOM 465 CB LYS A 32 -0.519 4.925 8.633 1.00 0.00 C ATOM 466 CG LYS A 32 0.808 5.584 8.298 1.00 0.00 C ATOM 467 CD LYS A 32 1.240 6.529 9.400 1.00 0.00 C ATOM 468 CE LYS A 32 2.517 7.273 9.041 1.00 0.00 C ATOM 469 NZ LYS A 32 2.334 8.170 7.869 1.00 0.00 N ATOM 0 H LYS A 32 -2.692 3.678 8.793 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.933 4.422 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.268 5.702 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.416 4.387 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.571 4.819 8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.719 6.131 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.444 7.248 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.394 5.967 10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.846 7.860 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.307 6.553 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.139 8.825 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.280 7.600 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.454 8.713 7.982 1.00 0.00 H new ATOM 483 N TYR A 33 0.992 2.726 6.995 1.00 0.00 N ATOM 484 CA TYR A 33 1.919 1.589 7.032 1.00 0.00 C ATOM 485 C TYR A 33 2.194 1.179 8.485 1.00 0.00 C ATOM 486 O TYR A 33 2.306 -0.001 8.798 1.00 0.00 O ATOM 487 CB TYR A 33 3.267 1.967 6.393 1.00 0.00 C ATOM 488 CG TYR A 33 3.245 2.225 4.902 1.00 0.00 C ATOM 489 CD1 TYR A 33 3.132 3.515 4.399 1.00 0.00 C ATOM 490 CD2 TYR A 33 3.359 1.177 3.997 1.00 0.00 C ATOM 491 CE1 TYR A 33 3.131 3.753 3.036 1.00 0.00 C ATOM 492 CE2 TYR A 33 3.357 1.404 2.634 1.00 0.00 C ATOM 493 CZ TYR A 33 3.244 2.693 2.159 1.00 0.00 C ATOM 494 OH TYR A 33 3.234 2.923 0.802 1.00 0.00 O ATOM 0 H TYR A 33 1.339 3.536 6.481 1.00 0.00 H new ATOM 0 HA TYR A 33 1.458 0.769 6.481 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.645 2.860 6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.979 1.166 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.043 4.346 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.451 0.166 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.042 4.762 2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.443 0.577 1.945 1.00 0.00 H new ATOM 0 HH TYR A 33 3.324 2.072 0.325 1.00 0.00 H new ATOM 504 N GLY A 34 2.302 2.174 9.359 1.00 0.00 N ATOM 505 CA GLY A 34 2.601 1.920 10.752 1.00 0.00 C ATOM 506 C GLY A 34 1.382 2.017 11.648 1.00 0.00 C ATOM 507 O GLY A 34 1.511 2.262 12.846 1.00 0.00 O ATOM 0 H GLY A 34 2.186 3.159 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.038 0.926 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.352 2.633 11.092 1.00 0.00 H new ATOM 511 N THR A 35 0.202 1.849 11.067 1.00 0.00 N ATOM 512 CA THR A 35 -1.033 1.916 11.804 1.00 0.00 C ATOM 513 C THR A 35 -1.123 0.818 12.880 1.00 0.00 C ATOM 514 O THR A 35 -0.666 -0.311 12.684 1.00 0.00 O ATOM 515 CB THR A 35 -2.242 1.861 10.839 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.629 3.191 10.454 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.417 1.114 11.433 1.00 0.00 C ATOM 0 H THR A 35 0.084 1.663 10.071 1.00 0.00 H new ATOM 0 HA THR A 35 -1.055 2.871 12.329 1.00 0.00 H new ATOM 0 HB THR A 35 -1.929 1.308 9.953 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.595 3.300 10.581 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.240 1.103 10.718 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.120 0.090 11.660 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.738 1.610 12.349 1.00 0.00 H new ATOM 525 N SER A 36 -1.697 1.176 14.021 1.00 0.00 N ATOM 526 CA SER A 36 -1.838 0.262 15.129 1.00 0.00 C ATOM 527 C SER A 36 -3.169 -0.475 15.050 1.00 0.00 C ATOM 528 O SER A 36 -4.133 0.044 14.489 1.00 0.00 O ATOM 529 CB SER A 36 -1.713 1.025 16.441 1.00 0.00 C ATOM 530 OG SER A 36 -0.428 1.620 16.550 1.00 0.00 O ATOM 0 H SER A 36 -2.075 2.107 14.197 1.00 0.00 H new ATOM 0 HA SER A 36 -1.044 -0.483 15.081 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.483 1.795 16.495 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.879 0.348 17.279 1.00 0.00 H new ATOM 0 HG SER A 36 0.178 1.007 17.016 1.00 0.00 H new ATOM 536 N MET A 37 -3.215 -1.680 15.631 1.00 0.00 N ATOM 537 CA MET A 37 -4.414 -2.544 15.588 1.00 0.00 C ATOM 538 C MET A 37 -5.696 -1.807 15.998 1.00 0.00 C ATOM 539 O MET A 37 -6.767 -2.079 15.465 1.00 0.00 O ATOM 540 CB MET A 37 -4.220 -3.771 16.489 1.00 0.00 C ATOM 541 CG MET A 37 -4.110 -3.442 17.971 1.00 0.00 C ATOM 542 SD MET A 37 -3.841 -4.895 18.996 1.00 0.00 S ATOM 543 CE MET A 37 -3.750 -4.146 20.618 1.00 0.00 C ATOM 0 H MET A 37 -2.431 -2.087 16.142 1.00 0.00 H new ATOM 0 HA MET A 37 -4.534 -2.855 14.550 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.057 -4.454 16.340 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.319 -4.299 16.177 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.289 -2.741 18.122 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.022 -2.940 18.295 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.169 -4.786 21.282 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.269 -3.171 20.542 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.756 -4.024 21.019 1.00 0.00 H new ATOM 553 N ALA A 38 -5.575 -0.864 16.914 1.00 0.00 N ATOM 554 CA ALA A 38 -6.726 -0.125 17.412 1.00 0.00 C ATOM 555 C ALA A 38 -7.423 0.656 16.309 1.00 0.00 C ATOM 556 O ALA A 38 -8.639 0.742 16.290 1.00 0.00 O ATOM 557 CB ALA A 38 -6.328 0.799 18.542 1.00 0.00 C ATOM 0 H ALA A 38 -4.686 -0.589 17.332 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.435 -0.859 17.794 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.206 1.340 18.896 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.908 0.214 19.360 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.583 1.511 18.185 1.00 0.00 H new ATOM 563 N LYS A 39 -6.644 1.200 15.378 1.00 0.00 N ATOM 564 CA LYS A 39 -7.193 2.042 14.313 1.00 0.00 C ATOM 565 C LYS A 39 -8.199 1.265 13.475 1.00 0.00 C ATOM 566 O LYS A 39 -9.241 1.787 13.099 1.00 0.00 O ATOM 567 CB LYS A 39 -6.070 2.539 13.395 1.00 0.00 C ATOM 568 CG LYS A 39 -5.017 3.391 14.088 1.00 0.00 C ATOM 569 CD LYS A 39 -5.605 4.675 14.632 1.00 0.00 C ATOM 570 CE LYS A 39 -4.537 5.542 15.267 1.00 0.00 C ATOM 571 NZ LYS A 39 -5.095 6.801 15.808 1.00 0.00 N ATOM 0 H LYS A 39 -5.633 1.075 15.337 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.691 2.890 14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.581 1.677 12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.511 3.118 12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.568 2.823 14.902 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.218 3.626 13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.092 5.225 13.826 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.374 4.442 15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.049 4.988 16.069 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.771 5.773 14.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.331 7.365 16.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.538 7.343 15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.808 6.582 16.533 1.00 0.00 H new ATOM 585 N LEU A 40 -7.885 0.014 13.207 1.00 0.00 N ATOM 586 CA LEU A 40 -8.738 -0.821 12.382 1.00 0.00 C ATOM 587 C LEU A 40 -9.819 -1.503 13.195 1.00 0.00 C ATOM 588 O LEU A 40 -10.979 -1.523 12.800 1.00 0.00 O ATOM 589 CB LEU A 40 -7.922 -1.863 11.593 1.00 0.00 C ATOM 590 CG LEU A 40 -6.768 -2.554 12.343 1.00 0.00 C ATOM 591 CD1 LEU A 40 -6.528 -3.936 11.773 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.497 -1.731 12.211 1.00 0.00 C ATOM 0 H LEU A 40 -7.043 -0.449 13.549 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.225 -0.157 11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.607 -2.634 11.239 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.509 -1.374 10.711 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.040 -2.640 13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.710 -4.415 12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.432 -4.535 11.879 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.269 -3.854 10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.686 -2.227 12.744 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.234 -1.635 11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.659 -0.741 12.636 1.00 0.00 H new ATOM 604 N LYS A 41 -9.435 -2.058 14.329 1.00 0.00 N ATOM 605 CA LYS A 41 -10.358 -2.797 15.171 1.00 0.00 C ATOM 606 C LYS A 41 -11.447 -1.916 15.703 1.00 0.00 C ATOM 607 O LYS A 41 -12.609 -2.277 15.657 1.00 0.00 O ATOM 608 CB LYS A 41 -9.603 -3.422 16.309 1.00 0.00 C ATOM 609 CG LYS A 41 -8.660 -4.508 15.870 1.00 0.00 C ATOM 610 CD LYS A 41 -7.788 -4.953 17.004 1.00 0.00 C ATOM 611 CE LYS A 41 -8.604 -5.646 18.097 1.00 0.00 C ATOM 612 NZ LYS A 41 -7.753 -6.179 19.188 1.00 0.00 N ATOM 0 H LYS A 41 -8.483 -2.010 14.691 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.827 -3.572 14.565 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.039 -2.649 16.830 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.314 -3.835 17.025 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.229 -5.356 15.489 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.040 -4.146 15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.023 -5.635 16.631 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.269 -4.092 17.426 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.322 -4.940 18.513 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.177 -6.461 17.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.352 -6.639 19.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.084 -6.874 18.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.225 -5.399 19.629 1.00 0.00 H new ATOM 626 N LYS A 42 -11.070 -0.751 16.182 1.00 0.00 N ATOM 627 CA LYS A 42 -12.044 0.220 16.656 1.00 0.00 C ATOM 628 C LYS A 42 -12.963 0.600 15.521 1.00 0.00 C ATOM 629 O LYS A 42 -14.175 0.657 15.678 1.00 0.00 O ATOM 630 CB LYS A 42 -11.343 1.484 17.174 1.00 0.00 C ATOM 631 CG LYS A 42 -12.295 2.576 17.655 1.00 0.00 C ATOM 632 CD LYS A 42 -11.556 3.880 17.951 1.00 0.00 C ATOM 633 CE LYS A 42 -10.608 3.755 19.136 1.00 0.00 C ATOM 634 NZ LYS A 42 -11.332 3.516 20.407 1.00 0.00 N ATOM 0 H LYS A 42 -10.099 -0.449 16.255 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.613 -0.228 17.471 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.681 1.208 17.995 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.715 1.889 16.380 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.057 2.754 16.897 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.812 2.239 18.553 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.992 4.183 17.069 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.282 4.668 18.152 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.911 2.936 18.957 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.015 4.665 19.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.675 3.622 21.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.106 4.205 20.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.724 2.553 20.407 1.00 0.00 H new ATOM 648 N SER A 43 -12.365 0.833 14.373 1.00 0.00 N ATOM 649 CA SER A 43 -13.093 1.284 13.206 1.00 0.00 C ATOM 650 C SER A 43 -14.092 0.223 12.711 1.00 0.00 C ATOM 651 O SER A 43 -15.277 0.514 12.493 1.00 0.00 O ATOM 652 CB SER A 43 -12.100 1.651 12.096 1.00 0.00 C ATOM 653 OG SER A 43 -12.768 2.133 10.945 1.00 0.00 O ATOM 0 H SER A 43 -11.363 0.716 14.222 1.00 0.00 H new ATOM 0 HA SER A 43 -13.673 2.165 13.482 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.408 2.409 12.461 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.505 0.776 11.834 1.00 0.00 H new ATOM 0 HG SER A 43 -12.692 1.475 10.223 1.00 0.00 H new ATOM 659 N TYR A 44 -13.611 -0.999 12.546 1.00 0.00 N ATOM 660 CA TYR A 44 -14.436 -2.095 12.065 1.00 0.00 C ATOM 661 C TYR A 44 -15.482 -2.483 13.075 1.00 0.00 C ATOM 662 O TYR A 44 -16.643 -2.671 12.734 1.00 0.00 O ATOM 663 CB TYR A 44 -13.579 -3.293 11.745 1.00 0.00 C ATOM 664 CG TYR A 44 -14.329 -4.432 11.086 1.00 0.00 C ATOM 665 CD1 TYR A 44 -14.371 -4.553 9.706 1.00 0.00 C ATOM 666 CD2 TYR A 44 -14.995 -5.378 11.846 1.00 0.00 C ATOM 667 CE1 TYR A 44 -15.055 -5.588 9.100 1.00 0.00 C ATOM 668 CE2 TYR A 44 -15.683 -6.417 11.253 1.00 0.00 C ATOM 669 CZ TYR A 44 -15.711 -6.519 9.878 1.00 0.00 C ATOM 670 OH TYR A 44 -16.393 -7.558 9.282 1.00 0.00 O ATOM 0 H TYR A 44 -12.644 -1.258 12.740 1.00 0.00 H new ATOM 0 HA TYR A 44 -14.941 -1.753 11.161 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.766 -2.980 11.090 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.124 -3.657 12.666 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -13.860 -3.825 9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -14.976 -5.302 12.923 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -15.076 -5.668 8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.197 -7.146 11.862 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.797 -8.123 9.973 1.00 0.00 H new ATOM 680 N ALA A 45 -15.071 -2.601 14.316 1.00 0.00 N ATOM 681 CA ALA A 45 -15.981 -2.977 15.374 1.00 0.00 C ATOM 682 C ALA A 45 -17.102 -1.971 15.463 1.00 0.00 C ATOM 683 O ALA A 45 -18.254 -2.316 15.722 1.00 0.00 O ATOM 684 CB ALA A 45 -15.255 -3.076 16.698 1.00 0.00 C ATOM 0 H ALA A 45 -14.110 -2.442 14.619 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.398 -3.957 15.144 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.960 -3.360 17.479 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.470 -3.828 16.627 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.812 -2.111 16.943 1.00 0.00 H new ATOM 690 N ASP A 46 -16.755 -0.727 15.229 1.00 0.00 N ATOM 691 CA ASP A 46 -17.716 0.363 15.312 1.00 0.00 C ATOM 692 C ASP A 46 -18.770 0.261 14.214 1.00 0.00 C ATOM 693 O ASP A 46 -19.967 0.358 14.479 1.00 0.00 O ATOM 694 CB ASP A 46 -17.014 1.709 15.228 1.00 0.00 C ATOM 695 CG ASP A 46 -17.965 2.861 15.433 1.00 0.00 C ATOM 696 OD1 ASP A 46 -18.411 3.070 16.580 1.00 0.00 O ATOM 697 OD2 ASP A 46 -18.274 3.563 14.456 1.00 0.00 O ATOM 0 H ASP A 46 -15.810 -0.437 14.978 1.00 0.00 H new ATOM 0 HA ASP A 46 -18.216 0.282 16.277 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.225 1.753 15.979 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.533 1.806 14.255 1.00 0.00 H new ATOM 702 N ARG A 47 -18.316 0.028 12.983 1.00 0.00 N ATOM 703 CA ARG A 47 -19.222 -0.060 11.831 1.00 0.00 C ATOM 704 C ARG A 47 -20.134 -1.275 11.935 1.00 0.00 C ATOM 705 O ARG A 47 -21.213 -1.302 11.351 1.00 0.00 O ATOM 706 CB ARG A 47 -18.438 -0.126 10.511 1.00 0.00 C ATOM 707 CG ARG A 47 -17.635 -1.402 10.339 1.00 0.00 C ATOM 708 CD ARG A 47 -16.928 -1.463 8.999 1.00 0.00 C ATOM 709 NE ARG A 47 -17.851 -1.766 7.901 1.00 0.00 N ATOM 710 CZ ARG A 47 -18.169 -0.923 6.912 1.00 0.00 C ATOM 711 NH1 ARG A 47 -17.691 0.320 6.900 1.00 0.00 N ATOM 712 NH2 ARG A 47 -18.973 -1.325 5.937 1.00 0.00 N ATOM 0 H ARG A 47 -17.331 -0.103 12.755 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.833 0.843 11.838 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.136 -0.032 9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.762 0.728 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -16.898 -1.475 11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.298 -2.262 10.436 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.436 -0.510 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.147 -2.223 9.036 1.00 0.00 H new ATOM 0 HE ARG A 47 -18.284 -2.690 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.076 0.637 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.940 0.955 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.347 -2.274 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.218 -0.685 5.181 1.00 0.00 H new ATOM 726 N THR A 48 -19.692 -2.279 12.664 1.00 0.00 N ATOM 727 CA THR A 48 -20.456 -3.494 12.800 1.00 0.00 C ATOM 728 C THR A 48 -21.243 -3.530 14.121 1.00 0.00 C ATOM 729 O THR A 48 -22.022 -4.449 14.355 1.00 0.00 O ATOM 730 CB THR A 48 -19.552 -4.750 12.654 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.344 -5.942 12.627 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.536 -4.836 13.778 1.00 0.00 C ATOM 0 H THR A 48 -18.807 -2.274 13.170 1.00 0.00 H new ATOM 0 HA THR A 48 -21.183 -3.508 11.988 1.00 0.00 H new ATOM 0 HB THR A 48 -19.014 -4.656 11.711 1.00 0.00 H new ATOM 0 HG1 THR A 48 -21.122 -5.831 13.213 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.921 -5.726 13.645 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.901 -3.950 13.763 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.056 -4.894 14.734 1.00 0.00 H new ATOM 740 N GLY A 49 -21.031 -2.527 14.977 1.00 0.00 N ATOM 741 CA GLY A 49 -21.759 -2.463 16.240 1.00 0.00 C ATOM 742 C GLY A 49 -21.343 -3.552 17.214 1.00 0.00 C ATOM 743 O GLY A 49 -22.147 -4.012 18.028 1.00 0.00 O ATOM 0 H GLY A 49 -20.373 -1.763 14.821 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.595 -1.488 16.700 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.828 -2.547 16.043 1.00 0.00 H new ATOM 747 N VAL A 50 -20.095 -3.953 17.135 1.00 0.00 N ATOM 748 CA VAL A 50 -19.566 -5.018 17.965 1.00 0.00 C ATOM 749 C VAL A 50 -18.434 -4.507 18.843 1.00 0.00 C ATOM 750 O VAL A 50 -17.758 -3.541 18.493 1.00 0.00 O ATOM 751 CB VAL A 50 -19.063 -6.213 17.104 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.390 -7.277 17.967 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.213 -6.825 16.318 1.00 0.00 C ATOM 0 H VAL A 50 -19.413 -3.550 16.492 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.380 -5.368 18.600 1.00 0.00 H new ATOM 0 HB VAL A 50 -18.321 -5.828 16.404 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.051 -8.097 17.334 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.536 -6.840 18.484 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.103 -7.655 18.700 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.843 -7.659 15.722 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.976 -7.183 17.009 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.645 -6.072 15.659 1.00 0.00 H new ATOM 763 N ALA A 51 -18.282 -5.122 20.011 1.00 0.00 N ATOM 764 CA ALA A 51 -17.198 -4.807 20.922 1.00 0.00 C ATOM 765 C ALA A 51 -15.862 -4.853 20.190 1.00 0.00 C ATOM 766 O ALA A 51 -15.585 -5.792 19.436 1.00 0.00 O ATOM 767 CB ALA A 51 -17.192 -5.815 22.060 1.00 0.00 C ATOM 0 H ALA A 51 -18.909 -5.852 20.349 1.00 0.00 H new ATOM 0 HA ALA A 51 -17.345 -3.803 21.319 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.379 -5.583 22.748 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.142 -5.768 22.592 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.051 -6.818 21.657 1.00 0.00 H new ATOM 773 N VAL A 52 -15.039 -3.849 20.430 1.00 0.00 N ATOM 774 CA VAL A 52 -13.742 -3.731 19.782 1.00 0.00 C ATOM 775 C VAL A 52 -12.858 -4.913 20.137 1.00 0.00 C ATOM 776 O VAL A 52 -12.200 -5.494 19.271 1.00 0.00 O ATOM 777 CB VAL A 52 -13.030 -2.415 20.182 1.00 0.00 C ATOM 778 CG1 VAL A 52 -11.604 -2.371 19.643 1.00 0.00 C ATOM 779 CG2 VAL A 52 -13.823 -1.214 19.698 1.00 0.00 C ATOM 0 H VAL A 52 -15.249 -3.091 21.080 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.915 -3.719 18.706 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.975 -2.380 21.270 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.131 -1.435 19.941 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.036 -3.209 20.047 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.624 -2.437 18.555 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.309 -0.298 19.988 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.914 -1.252 18.612 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.817 -1.229 20.146 1.00 0.00 H new ATOM 789 N ASN A 53 -12.867 -5.289 21.407 1.00 0.00 N ATOM 790 CA ASN A 53 -12.045 -6.401 21.868 1.00 0.00 C ATOM 791 C ASN A 53 -12.601 -7.727 21.364 1.00 0.00 C ATOM 792 O ASN A 53 -11.915 -8.744 21.373 1.00 0.00 O ATOM 793 CB ASN A 53 -11.940 -6.424 23.398 1.00 0.00 C ATOM 794 CG ASN A 53 -13.235 -6.808 24.099 1.00 0.00 C ATOM 795 OD1 ASN A 53 -14.338 -6.540 23.613 1.00 0.00 O ATOM 796 ND2 ASN A 53 -13.106 -7.446 25.245 1.00 0.00 N ATOM 0 H ASN A 53 -13.429 -4.845 22.133 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.044 -6.259 21.460 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.159 -7.127 23.688 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.628 -5.439 23.746 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.935 -7.737 25.763 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.177 -7.649 25.614 1.00 0.00 H new ATOM 803 N SER A 54 -13.842 -7.703 20.911 1.00 0.00 N ATOM 804 CA SER A 54 -14.475 -8.886 20.371 1.00 0.00 C ATOM 805 C SER A 54 -14.062 -9.102 18.929 1.00 0.00 C ATOM 806 O SER A 54 -14.294 -10.162 18.363 1.00 0.00 O ATOM 807 CB SER A 54 -15.988 -8.788 20.484 1.00 0.00 C ATOM 808 OG SER A 54 -16.390 -8.765 21.840 1.00 0.00 O ATOM 0 H SER A 54 -14.432 -6.871 20.908 1.00 0.00 H new ATOM 0 HA SER A 54 -14.144 -9.744 20.956 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.337 -7.886 19.981 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.451 -9.635 19.977 1.00 0.00 H new ATOM 0 HG SER A 54 -15.749 -9.272 22.380 1.00 0.00 H new ATOM 814 N LEU A 55 -13.446 -8.094 18.346 1.00 0.00 N ATOM 815 CA LEU A 55 -12.933 -8.198 16.993 1.00 0.00 C ATOM 816 C LEU A 55 -11.478 -8.597 17.019 1.00 0.00 C ATOM 817 O LEU A 55 -10.690 -8.069 17.800 1.00 0.00 O ATOM 818 CB LEU A 55 -13.086 -6.883 16.234 1.00 0.00 C ATOM 819 CG LEU A 55 -14.298 -6.772 15.312 1.00 0.00 C ATOM 820 CD1 LEU A 55 -14.320 -7.910 14.301 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.584 -6.734 16.107 1.00 0.00 C ATOM 0 H LEU A 55 -13.287 -7.189 18.789 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.515 -8.961 16.477 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -13.133 -6.072 16.961 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.187 -6.725 15.638 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.214 -5.834 14.763 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.193 -7.807 13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.415 -7.875 13.694 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.368 -8.863 14.827 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.431 -6.655 15.425 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.676 -7.647 16.695 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.574 -5.872 16.775 1.00 0.00 H new ATOM 833 N ARG A 56 -11.129 -9.539 16.174 1.00 0.00 N ATOM 834 CA ARG A 56 -9.774 -10.056 16.125 1.00 0.00 C ATOM 835 C ARG A 56 -9.235 -9.962 14.712 1.00 0.00 C ATOM 836 O ARG A 56 -9.740 -10.624 13.800 1.00 0.00 O ATOM 837 CB ARG A 56 -9.727 -11.519 16.616 1.00 0.00 C ATOM 838 CG ARG A 56 -9.795 -11.685 18.142 1.00 0.00 C ATOM 839 CD ARG A 56 -11.195 -11.410 18.696 1.00 0.00 C ATOM 840 NE ARG A 56 -12.178 -12.424 18.286 1.00 0.00 N ATOM 841 CZ ARG A 56 -12.558 -13.460 19.049 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.101 -13.583 20.287 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.423 -14.347 18.581 1.00 0.00 N ATOM 0 H ARG A 56 -11.768 -9.968 15.505 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.151 -9.454 16.786 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.556 -12.066 16.167 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.808 -11.980 16.254 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.494 -12.698 18.408 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.082 -11.007 18.611 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.150 -11.373 19.784 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.529 -10.429 18.358 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.598 -12.334 17.361 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.457 -12.888 20.664 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.393 -14.373 20.862 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.801 -14.243 17.639 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.711 -15.134 19.162 1.00 0.00 H new ATOM 857 N PHE A 57 -8.222 -9.138 14.529 1.00 0.00 N ATOM 858 CA PHE A 57 -7.633 -8.933 13.218 1.00 0.00 C ATOM 859 C PHE A 57 -6.286 -9.612 13.093 1.00 0.00 C ATOM 860 O PHE A 57 -5.417 -9.482 13.970 1.00 0.00 O ATOM 861 CB PHE A 57 -7.485 -7.448 12.937 1.00 0.00 C ATOM 862 CG PHE A 57 -8.771 -6.753 12.613 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.764 -6.604 13.563 1.00 0.00 C ATOM 864 CD2 PHE A 57 -8.972 -6.227 11.357 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.933 -5.946 13.256 1.00 0.00 C ATOM 866 CE2 PHE A 57 -10.136 -5.571 11.046 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.117 -5.432 11.995 1.00 0.00 C ATOM 0 H PHE A 57 -7.787 -8.596 15.276 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.304 -9.381 12.485 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.035 -6.968 13.806 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.793 -7.314 12.105 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.621 -7.007 14.555 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.203 -6.332 10.606 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.704 -5.834 14.004 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.280 -5.165 10.056 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.035 -4.918 11.751 1.00 0.00 H new ATOM 877 N LEU A 58 -6.113 -10.330 12.004 1.00 0.00 N ATOM 878 CA LEU A 58 -4.878 -11.015 11.720 1.00 0.00 C ATOM 879 C LEU A 58 -4.395 -10.691 10.319 1.00 0.00 C ATOM 880 O LEU A 58 -5.178 -10.600 9.381 1.00 0.00 O ATOM 881 CB LEU A 58 -5.016 -12.541 11.891 1.00 0.00 C ATOM 882 CG LEU A 58 -4.844 -13.076 13.320 1.00 0.00 C ATOM 883 CD1 LEU A 58 -6.091 -12.885 14.152 1.00 0.00 C ATOM 884 CD2 LEU A 58 -4.407 -14.528 13.311 1.00 0.00 C ATOM 0 H LEU A 58 -6.831 -10.453 11.290 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.141 -10.662 12.442 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.999 -12.840 11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.279 -13.027 11.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.055 -12.489 13.789 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.923 -13.278 15.155 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.328 -11.823 14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.922 -13.416 13.689 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.293 -14.880 14.336 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.159 -15.131 12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.455 -14.618 12.789 1.00 0.00 H new ATOM 896 N PHE A 59 -3.113 -10.511 10.187 1.00 0.00 N ATOM 897 CA PHE A 59 -2.511 -10.244 8.912 1.00 0.00 C ATOM 898 C PHE A 59 -1.682 -11.431 8.505 1.00 0.00 C ATOM 899 O PHE A 59 -0.799 -11.841 9.235 1.00 0.00 O ATOM 900 CB PHE A 59 -1.638 -8.990 8.969 1.00 0.00 C ATOM 901 CG PHE A 59 -0.944 -8.704 7.669 1.00 0.00 C ATOM 902 CD1 PHE A 59 -1.650 -8.208 6.591 1.00 0.00 C ATOM 903 CD2 PHE A 59 0.412 -8.942 7.524 1.00 0.00 C ATOM 904 CE1 PHE A 59 -1.020 -7.955 5.390 1.00 0.00 C ATOM 905 CE2 PHE A 59 1.048 -8.691 6.327 1.00 0.00 C ATOM 906 CZ PHE A 59 0.332 -8.197 5.257 1.00 0.00 C ATOM 0 H PHE A 59 -2.452 -10.545 10.963 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.298 -10.070 8.178 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.256 -8.135 9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.892 -9.107 9.755 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.708 -8.016 6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.978 -9.329 8.358 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.584 -7.568 4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.106 -8.881 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.828 -8.000 4.318 1.00 0.00 H new ATOM 916 N ASP A 60 -1.999 -12.000 7.357 1.00 0.00 N ATOM 917 CA ASP A 60 -1.279 -13.173 6.820 1.00 0.00 C ATOM 918 C ASP A 60 -1.260 -14.341 7.834 1.00 0.00 C ATOM 919 O ASP A 60 -0.410 -15.223 7.779 1.00 0.00 O ATOM 920 CB ASP A 60 0.150 -12.771 6.438 1.00 0.00 C ATOM 921 CG ASP A 60 0.854 -13.804 5.575 1.00 0.00 C ATOM 922 OD1 ASP A 60 0.472 -13.958 4.397 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.803 -14.456 6.066 1.00 0.00 O ATOM 0 H ASP A 60 -2.759 -11.674 6.760 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.807 -13.520 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.123 -11.820 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.730 -12.611 7.347 1.00 0.00 H new ATOM 928 N GLY A 61 -2.221 -14.344 8.740 1.00 0.00 N ATOM 929 CA GLY A 61 -2.326 -15.419 9.707 1.00 0.00 C ATOM 930 C GLY A 61 -1.644 -15.105 11.024 1.00 0.00 C ATOM 931 O GLY A 61 -1.506 -15.981 11.880 1.00 0.00 O ATOM 0 H GLY A 61 -2.934 -13.620 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.379 -15.631 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.888 -16.323 9.285 1.00 0.00 H new ATOM 935 N ARG A 62 -1.207 -13.871 11.191 1.00 0.00 N ATOM 936 CA ARG A 62 -0.609 -13.444 12.440 1.00 0.00 C ATOM 937 C ARG A 62 -1.337 -12.236 12.966 1.00 0.00 C ATOM 938 O ARG A 62 -1.740 -11.363 12.212 1.00 0.00 O ATOM 939 CB ARG A 62 0.900 -13.187 12.266 1.00 0.00 C ATOM 940 CG ARG A 62 1.278 -12.131 11.228 1.00 0.00 C ATOM 941 CD ARG A 62 1.226 -10.718 11.792 1.00 0.00 C ATOM 942 NE ARG A 62 2.560 -10.186 12.084 1.00 0.00 N ATOM 943 CZ ARG A 62 2.803 -9.232 12.984 1.00 0.00 C ATOM 944 NH1 ARG A 62 1.825 -8.794 13.762 1.00 0.00 N ATOM 945 NH2 ARG A 62 4.029 -8.740 13.132 1.00 0.00 N ATOM 0 H ARG A 62 -1.255 -13.146 10.475 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.707 -14.240 13.178 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.312 -12.886 13.229 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.381 -14.126 11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.282 -12.334 10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.602 -12.204 10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.724 -10.063 11.080 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.629 -10.715 12.704 1.00 0.00 H new ATOM 0 HE ARG A 62 3.352 -10.569 11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.888 -9.186 13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.009 -8.065 14.451 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.793 -9.092 12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.206 -8.011 13.823 1.00 0.00 H new ATOM 959 N ARG A 63 -1.504 -12.198 14.249 1.00 0.00 N ATOM 960 CA ARG A 63 -2.278 -11.162 14.892 1.00 0.00 C ATOM 961 C ARG A 63 -1.627 -9.804 14.813 1.00 0.00 C ATOM 962 O ARG A 63 -0.418 -9.664 14.943 1.00 0.00 O ATOM 963 CB ARG A 63 -2.594 -11.581 16.313 1.00 0.00 C ATOM 964 CG ARG A 63 -1.373 -11.850 17.165 1.00 0.00 C ATOM 965 CD ARG A 63 -1.748 -12.713 18.337 1.00 0.00 C ATOM 966 NE ARG A 63 -0.638 -12.925 19.264 1.00 0.00 N ATOM 967 CZ ARG A 63 -0.735 -13.626 20.398 1.00 0.00 C ATOM 968 NH1 ARG A 63 -1.897 -14.160 20.756 1.00 0.00 N ATOM 969 NH2 ARG A 63 0.329 -13.787 21.175 1.00 0.00 N ATOM 0 H ARG A 63 -1.109 -12.884 14.892 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.215 -11.047 14.348 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.189 -10.800 16.787 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.210 -12.480 16.287 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.605 -12.344 16.570 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.949 -10.909 17.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.578 -12.251 18.871 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.101 -13.678 17.973 1.00 0.00 H new ATOM 0 HE ARG A 63 0.266 -12.513 19.031 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.719 -14.036 20.165 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.967 -14.694 21.622 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.223 -13.375 20.907 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.253 -14.322 22.040 1.00 0.00 H new ATOM 983 N ILE A 64 -2.456 -8.815 14.574 1.00 0.00 N ATOM 984 CA ILE A 64 -2.023 -7.441 14.436 1.00 0.00 C ATOM 985 C ILE A 64 -2.016 -6.762 15.796 1.00 0.00 C ATOM 986 O ILE A 64 -3.029 -6.741 16.496 1.00 0.00 O ATOM 987 CB ILE A 64 -2.972 -6.677 13.468 1.00 0.00 C ATOM 988 CG1 ILE A 64 -2.971 -7.355 12.091 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.573 -5.208 13.343 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.023 -6.822 11.140 1.00 0.00 C ATOM 0 H ILE A 64 -3.463 -8.942 14.468 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.013 -7.428 14.025 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.980 -6.711 13.881 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.988 -7.229 11.637 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.126 -8.426 12.225 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.256 -4.702 12.660 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.622 -4.733 14.323 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.556 -5.139 12.957 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.957 -7.352 10.190 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.013 -6.972 11.571 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.857 -5.758 10.974 1.00 0.00 H new ATOM 1002 N ASN A 65 -0.865 -6.251 16.180 1.00 0.00 N ATOM 1003 CA ASN A 65 -0.708 -5.561 17.445 1.00 0.00 C ATOM 1004 C ASN A 65 -0.524 -4.086 17.199 1.00 0.00 C ATOM 1005 O ASN A 65 -0.242 -3.666 16.081 1.00 0.00 O ATOM 1006 CB ASN A 65 0.506 -6.096 18.214 1.00 0.00 C ATOM 1007 CG ASN A 65 0.414 -7.574 18.512 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -0.191 -7.988 19.504 1.00 0.00 O ATOM 1009 ND2 ASN A 65 1.003 -8.377 17.656 1.00 0.00 N ATOM 0 H ASN A 65 -0.011 -6.302 15.624 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.605 -5.733 18.040 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.409 -5.904 17.635 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.606 -5.548 19.151 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.971 -9.386 17.799 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.493 -7.991 16.849 1.00 0.00 H new ATOM 1016 N ASP A 66 -0.693 -3.296 18.233 1.00 0.00 N ATOM 1017 CA ASP A 66 -0.485 -1.863 18.132 1.00 0.00 C ATOM 1018 C ASP A 66 0.997 -1.550 18.243 1.00 0.00 C ATOM 1019 O ASP A 66 1.422 -0.419 18.044 1.00 0.00 O ATOM 1020 CB ASP A 66 -1.254 -1.128 19.232 1.00 0.00 C ATOM 1021 CG ASP A 66 -0.792 -1.505 20.623 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -0.775 -2.710 20.944 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -0.463 -0.595 21.406 1.00 0.00 O ATOM 0 H ASP A 66 -0.975 -3.619 19.159 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.856 -1.525 17.164 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.137 -0.053 19.094 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.317 -1.348 19.135 1.00 0.00 H new ATOM 1028 N ASP A 67 1.772 -2.569 18.561 1.00 0.00 N ATOM 1029 CA ASP A 67 3.211 -2.427 18.701 1.00 0.00 C ATOM 1030 C ASP A 67 3.928 -2.786 17.405 1.00 0.00 C ATOM 1031 O ASP A 67 5.076 -2.391 17.195 1.00 0.00 O ATOM 1032 CB ASP A 67 3.721 -3.315 19.838 1.00 0.00 C ATOM 1033 CG ASP A 67 5.222 -3.213 20.035 1.00 0.00 C ATOM 1034 OD1 ASP A 67 5.695 -2.171 20.532 1.00 0.00 O ATOM 1035 OD2 ASP A 67 5.937 -4.180 19.703 1.00 0.00 O ATOM 0 H ASP A 67 1.426 -3.514 18.729 1.00 0.00 H new ATOM 0 HA ASP A 67 3.424 -1.384 18.934 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.218 -3.037 20.764 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.456 -4.352 19.630 1.00 0.00 H new ATOM 1040 N ASP A 68 3.245 -3.522 16.526 1.00 0.00 N ATOM 1041 CA ASP A 68 3.860 -3.957 15.278 1.00 0.00 C ATOM 1042 C ASP A 68 4.242 -2.782 14.401 1.00 0.00 C ATOM 1043 O ASP A 68 3.489 -1.816 14.265 1.00 0.00 O ATOM 1044 CB ASP A 68 2.954 -4.914 14.508 1.00 0.00 C ATOM 1045 CG ASP A 68 2.847 -6.284 15.141 1.00 0.00 C ATOM 1046 OD1 ASP A 68 3.881 -6.976 15.260 1.00 0.00 O ATOM 1047 OD2 ASP A 68 1.729 -6.702 15.481 1.00 0.00 O ATOM 0 H ASP A 68 2.279 -3.824 16.655 1.00 0.00 H new ATOM 0 HA ASP A 68 4.771 -4.490 15.549 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.958 -4.478 14.434 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.332 -5.021 13.491 1.00 0.00 H new ATOM 1052 N THR A 69 5.408 -2.878 13.807 1.00 0.00 N ATOM 1053 CA THR A 69 5.930 -1.841 12.957 1.00 0.00 C ATOM 1054 C THR A 69 5.521 -2.090 11.513 1.00 0.00 C ATOM 1055 O THR A 69 5.133 -3.205 11.158 1.00 0.00 O ATOM 1056 CB THR A 69 7.468 -1.806 13.042 1.00 0.00 C ATOM 1057 OG1 THR A 69 8.000 -3.067 12.607 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.923 -1.522 14.466 1.00 0.00 C ATOM 0 H THR A 69 6.024 -3.685 13.903 1.00 0.00 H new ATOM 0 HA THR A 69 5.524 -0.887 13.293 1.00 0.00 H new ATOM 0 HB THR A 69 7.835 -1.008 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.978 -3.045 12.659 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.012 -1.502 14.503 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.531 -0.557 14.788 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.552 -2.303 15.129 1.00 0.00 H new ATOM 1066 N PRO A 70 5.608 -1.069 10.651 1.00 0.00 N ATOM 1067 CA PRO A 70 5.306 -1.225 9.227 1.00 0.00 C ATOM 1068 C PRO A 70 6.221 -2.265 8.566 1.00 0.00 C ATOM 1069 O PRO A 70 5.855 -2.878 7.575 1.00 0.00 O ATOM 1070 CB PRO A 70 5.574 0.175 8.645 1.00 0.00 C ATOM 1071 CG PRO A 70 6.394 0.873 9.676 1.00 0.00 C ATOM 1072 CD PRO A 70 5.948 0.322 10.989 1.00 0.00 C ATOM 0 HA PRO A 70 4.289 -1.577 9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.105 0.112 7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.642 0.708 8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.457 0.694 9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.242 1.952 9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.736 0.376 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.090 0.864 11.387 1.00 0.00 H new ATOM 1080 N LYS A 71 7.416 -2.454 9.141 1.00 0.00 N ATOM 1081 CA LYS A 71 8.387 -3.442 8.631 1.00 0.00 C ATOM 1082 C LYS A 71 7.833 -4.812 8.751 1.00 0.00 C ATOM 1083 O LYS A 71 7.868 -5.609 7.822 1.00 0.00 O ATOM 1084 CB LYS A 71 9.672 -3.433 9.470 1.00 0.00 C ATOM 1085 CG LYS A 71 10.621 -2.287 9.243 1.00 0.00 C ATOM 1086 CD LYS A 71 9.981 -0.949 9.519 1.00 0.00 C ATOM 1087 CE LYS A 71 9.408 -0.328 8.248 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.404 -0.272 7.148 1.00 0.00 N ATOM 0 H LYS A 71 7.737 -1.938 9.960 1.00 0.00 H new ATOM 0 HA LYS A 71 8.594 -3.177 7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.391 -3.438 10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.209 -4.362 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.494 -2.409 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.977 -2.311 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.187 -1.070 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.719 -0.275 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.543 -0.906 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.054 0.680 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.309 0.630 6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.363 -0.347 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.239 -1.060 6.490 1.00 0.00 H new ATOM 1102 N THR A 72 7.304 -5.067 9.907 1.00 0.00 N ATOM 1103 CA THR A 72 6.827 -6.376 10.231 1.00 0.00 C ATOM 1104 C THR A 72 5.402 -6.610 9.727 1.00 0.00 C ATOM 1105 O THR A 72 5.015 -7.745 9.452 1.00 0.00 O ATOM 1106 CB THR A 72 6.964 -6.657 11.746 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.807 -8.060 12.010 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.940 -5.882 12.551 1.00 0.00 C ATOM 0 H THR A 72 7.191 -4.377 10.650 1.00 0.00 H new ATOM 0 HA THR A 72 7.458 -7.094 9.707 1.00 0.00 H new ATOM 0 HB THR A 72 7.960 -6.333 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.897 -8.224 12.972 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.066 -6.104 13.611 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.080 -4.814 12.385 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.937 -6.170 12.237 1.00 0.00 H new ATOM 1116 N LEU A 73 4.623 -5.543 9.596 1.00 0.00 N ATOM 1117 CA LEU A 73 3.276 -5.679 9.065 1.00 0.00 C ATOM 1118 C LEU A 73 3.295 -5.705 7.546 1.00 0.00 C ATOM 1119 O LEU A 73 2.373 -6.207 6.933 1.00 0.00 O ATOM 1120 CB LEU A 73 2.364 -4.559 9.558 1.00 0.00 C ATOM 1121 CG LEU A 73 2.111 -4.517 11.063 1.00 0.00 C ATOM 1122 CD1 LEU A 73 1.285 -3.293 11.429 1.00 0.00 C ATOM 1123 CD2 LEU A 73 1.411 -5.791 11.521 1.00 0.00 C ATOM 0 H LEU A 73 4.895 -4.592 9.845 1.00 0.00 H new ATOM 0 HA LEU A 73 2.877 -6.626 9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.796 -3.605 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.404 -4.649 9.050 1.00 0.00 H new ATOM 0 HG LEU A 73 3.072 -4.449 11.574 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.114 -3.278 12.505 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.821 -2.391 11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.327 -3.332 10.910 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.238 -5.745 12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.456 -5.888 11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.037 -6.653 11.291 1.00 0.00 H new ATOM 1135 N GLU A 74 4.370 -5.145 6.960 1.00 0.00 N ATOM 1136 CA GLU A 74 4.603 -5.085 5.490 1.00 0.00 C ATOM 1137 C GLU A 74 3.321 -4.828 4.671 1.00 0.00 C ATOM 1138 O GLU A 74 3.177 -5.316 3.544 1.00 0.00 O ATOM 1139 CB GLU A 74 5.322 -6.348 4.991 1.00 0.00 C ATOM 1140 CG GLU A 74 4.563 -7.643 5.207 1.00 0.00 C ATOM 1141 CD GLU A 74 5.312 -8.834 4.681 1.00 0.00 C ATOM 1142 OE1 GLU A 74 5.549 -8.897 3.459 1.00 0.00 O ATOM 1143 OE2 GLU A 74 5.668 -9.717 5.482 1.00 0.00 O ATOM 0 H GLU A 74 5.120 -4.711 7.498 1.00 0.00 H new ATOM 0 HA GLU A 74 5.248 -4.221 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.525 -6.236 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.287 -6.421 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.372 -7.777 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.593 -7.580 4.715 1.00 0.00 H new ATOM 1150 N MET A 75 2.415 -4.048 5.224 1.00 0.00 N ATOM 1151 CA MET A 75 1.174 -3.731 4.548 1.00 0.00 C ATOM 1152 C MET A 75 1.425 -2.717 3.446 1.00 0.00 C ATOM 1153 O MET A 75 2.353 -1.907 3.536 1.00 0.00 O ATOM 1154 CB MET A 75 0.151 -3.201 5.546 1.00 0.00 C ATOM 1155 CG MET A 75 -0.203 -4.204 6.630 1.00 0.00 C ATOM 1156 SD MET A 75 -1.342 -3.543 7.860 1.00 0.00 S ATOM 1157 CE MET A 75 -1.542 -4.960 8.931 1.00 0.00 C ATOM 0 H MET A 75 2.516 -3.620 6.144 1.00 0.00 H new ATOM 0 HA MET A 75 0.774 -4.639 4.097 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.542 -2.296 6.011 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.756 -2.918 5.011 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.647 -5.086 6.169 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.710 -4.530 7.127 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.560 -5.339 8.846 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.839 -5.740 8.638 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.349 -4.666 9.963 1.00 0.00 H new ATOM 1167 N GLU A 76 0.617 -2.768 2.407 1.00 0.00 N ATOM 1168 CA GLU A 76 0.772 -1.884 1.283 1.00 0.00 C ATOM 1169 C GLU A 76 -0.562 -1.670 0.609 1.00 0.00 C ATOM 1170 O GLU A 76 -1.589 -2.123 1.111 1.00 0.00 O ATOM 1171 CB GLU A 76 1.811 -2.415 0.290 1.00 0.00 C ATOM 1172 CG GLU A 76 1.482 -3.771 -0.291 1.00 0.00 C ATOM 1173 CD GLU A 76 2.535 -4.245 -1.260 1.00 0.00 C ATOM 1174 OE1 GLU A 76 2.430 -3.929 -2.459 1.00 0.00 O ATOM 1175 OE2 GLU A 76 3.474 -4.937 -0.829 1.00 0.00 O ATOM 0 H GLU A 76 -0.161 -3.422 2.323 1.00 0.00 H new ATOM 0 HA GLU A 76 1.138 -0.925 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.916 -1.699 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.778 -2.472 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.381 -4.496 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.519 -3.723 -0.799 1.00 0.00 H new ATOM 1182 N ASP A 77 -0.536 -0.974 -0.512 1.00 0.00 N ATOM 1183 CA ASP A 77 -1.738 -0.605 -1.251 1.00 0.00 C ATOM 1184 C ASP A 77 -2.675 -1.781 -1.475 1.00 0.00 C ATOM 1185 O ASP A 77 -2.317 -2.776 -2.112 1.00 0.00 O ATOM 1186 CB ASP A 77 -1.368 -0.036 -2.612 1.00 0.00 C ATOM 1187 CG ASP A 77 -0.635 1.271 -2.534 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -0.633 1.897 -1.454 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -0.048 1.673 -3.556 1.00 0.00 O ATOM 0 H ASP A 77 0.327 -0.643 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.252 0.138 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.750 -0.759 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.276 0.100 -3.199 1.00 0.00 H new ATOM 1194 N ASP A 78 -3.863 -1.641 -0.917 1.00 0.00 N ATOM 1195 CA ASP A 78 -4.982 -2.569 -1.098 1.00 0.00 C ATOM 1196 C ASP A 78 -4.613 -3.983 -0.655 1.00 0.00 C ATOM 1197 O ASP A 78 -5.081 -4.969 -1.222 1.00 0.00 O ATOM 1198 CB ASP A 78 -5.471 -2.538 -2.556 1.00 0.00 C ATOM 1199 CG ASP A 78 -6.837 -3.167 -2.753 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -7.840 -2.564 -2.318 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -6.916 -4.257 -3.366 1.00 0.00 O ATOM 0 H ASP A 78 -4.091 -0.857 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.803 -2.244 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.504 -1.503 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.747 -3.057 -3.184 1.00 0.00 H new ATOM 1206 N ASP A 79 -3.785 -4.082 0.387 1.00 0.00 N ATOM 1207 CA ASP A 79 -3.399 -5.386 0.912 1.00 0.00 C ATOM 1208 C ASP A 79 -4.590 -6.032 1.589 1.00 0.00 C ATOM 1209 O ASP A 79 -5.664 -5.438 1.667 1.00 0.00 O ATOM 1210 CB ASP A 79 -2.229 -5.295 1.881 1.00 0.00 C ATOM 1211 CG ASP A 79 -1.329 -6.515 1.794 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -1.701 -7.580 2.317 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -0.249 -6.412 1.176 1.00 0.00 O ATOM 0 H ASP A 79 -3.376 -3.286 0.876 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.071 -5.999 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.648 -4.398 1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.607 -5.194 2.898 1.00 0.00 H new ATOM 1218 N VAL A 80 -4.418 -7.220 2.078 1.00 0.00 N ATOM 1219 CA VAL A 80 -5.523 -7.950 2.636 1.00 0.00 C ATOM 1220 C VAL A 80 -5.358 -8.184 4.132 1.00 0.00 C ATOM 1221 O VAL A 80 -4.249 -8.312 4.645 1.00 0.00 O ATOM 1222 CB VAL A 80 -5.710 -9.299 1.915 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -6.080 -9.066 0.460 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -4.439 -10.130 2.010 1.00 0.00 C ATOM 0 H VAL A 80 -3.523 -7.709 2.104 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.412 -7.337 2.488 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.519 -9.846 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.210 -10.026 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.010 -8.500 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.286 -8.505 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.586 -11.080 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.615 -9.589 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.204 -10.317 3.058 1.00 0.00 H new ATOM 1234 N ILE A 81 -6.475 -8.232 4.807 1.00 0.00 N ATOM 1235 CA ILE A 81 -6.532 -8.448 6.230 1.00 0.00 C ATOM 1236 C ILE A 81 -7.551 -9.519 6.553 1.00 0.00 C ATOM 1237 O ILE A 81 -8.641 -9.548 5.976 1.00 0.00 O ATOM 1238 CB ILE A 81 -6.845 -7.126 7.002 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -5.543 -6.402 7.377 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -7.728 -7.354 8.218 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -5.754 -5.130 8.179 1.00 0.00 C ATOM 0 H ILE A 81 -7.392 -8.120 4.374 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.550 -8.787 6.560 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.415 -6.485 6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.914 -7.082 7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.999 -6.158 6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.914 -6.403 8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.676 -7.789 7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.228 -8.034 8.908 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.788 -4.678 8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.356 -4.430 7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.269 -5.368 9.110 1.00 0.00 H new ATOM 1253 N GLU A 82 -7.194 -10.393 7.466 1.00 0.00 N ATOM 1254 CA GLU A 82 -8.047 -11.486 7.847 1.00 0.00 C ATOM 1255 C GLU A 82 -8.657 -11.195 9.196 1.00 0.00 C ATOM 1256 O GLU A 82 -7.971 -10.767 10.121 1.00 0.00 O ATOM 1257 CB GLU A 82 -7.233 -12.767 7.922 1.00 0.00 C ATOM 1258 CG GLU A 82 -6.583 -13.166 6.601 1.00 0.00 C ATOM 1259 CD GLU A 82 -7.589 -13.574 5.548 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -8.337 -14.548 5.786 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -7.623 -12.947 4.473 1.00 0.00 O ATOM 0 H GLU A 82 -6.304 -10.363 7.963 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.838 -11.606 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.455 -12.648 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.880 -13.578 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.991 -12.331 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.893 -13.992 6.776 1.00 0.00 H new ATOM 1268 N VAL A 83 -9.924 -11.411 9.308 1.00 0.00 N ATOM 1269 CA VAL A 83 -10.623 -11.178 10.545 1.00 0.00 C ATOM 1270 C VAL A 83 -11.329 -12.429 10.975 1.00 0.00 C ATOM 1271 O VAL A 83 -11.932 -13.118 10.162 1.00 0.00 O ATOM 1272 CB VAL A 83 -11.645 -10.025 10.426 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -12.409 -9.823 11.727 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -10.952 -8.754 10.033 1.00 0.00 C ATOM 0 H VAL A 83 -10.513 -11.754 8.549 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.881 -10.891 11.290 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.363 -10.295 9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.119 -9.005 11.609 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.947 -10.737 11.979 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.709 -9.582 12.527 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.684 -7.950 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.210 -8.495 10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.457 -8.892 9.071 1.00 0.00 H new ATOM 1284 N TYR A 84 -11.239 -12.734 12.236 1.00 0.00 N ATOM 1285 CA TYR A 84 -11.890 -13.888 12.771 1.00 0.00 C ATOM 1286 C TYR A 84 -13.206 -13.482 13.379 1.00 0.00 C ATOM 1287 O TYR A 84 -13.429 -12.298 13.638 1.00 0.00 O ATOM 1288 CB TYR A 84 -10.989 -14.596 13.769 1.00 0.00 C ATOM 1289 CG TYR A 84 -9.854 -15.337 13.097 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -8.674 -14.692 12.742 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -9.973 -16.687 12.801 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -7.652 -15.375 12.117 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -8.954 -17.373 12.179 1.00 0.00 C ATOM 1294 CZ TYR A 84 -7.796 -16.714 11.839 1.00 0.00 C ATOM 1295 OH TYR A 84 -6.774 -17.399 11.218 1.00 0.00 O ATOM 0 H TYR A 84 -10.713 -12.190 12.920 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.093 -14.600 11.971 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.580 -13.865 14.467 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.582 -15.299 14.355 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.556 -13.641 12.959 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.881 -17.209 13.063 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.742 -14.860 11.847 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.064 -18.425 11.959 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.035 -18.335 11.095 1.00 0.00 H new ATOM 1305 N GLN A 85 -14.069 -14.447 13.624 1.00 0.00 N ATOM 1306 CA GLN A 85 -15.422 -14.143 14.027 1.00 0.00 C ATOM 1307 C GLN A 85 -15.438 -13.509 15.399 1.00 0.00 C ATOM 1308 O GLN A 85 -14.835 -14.016 16.345 1.00 0.00 O ATOM 1309 CB GLN A 85 -16.280 -15.409 14.004 1.00 0.00 C ATOM 1310 CG GLN A 85 -17.759 -15.153 14.228 1.00 0.00 C ATOM 1311 CD GLN A 85 -18.364 -14.277 13.141 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.938 -14.315 11.982 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -19.364 -13.504 13.497 1.00 0.00 N ATOM 0 H GLN A 85 -13.857 -15.442 13.551 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.843 -13.429 13.319 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -16.149 -15.908 13.044 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -15.920 -16.095 14.771 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.289 -16.105 14.262 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.900 -14.675 15.197 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.687 -13.501 14.465 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -19.818 -12.907 12.806 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.114 -12.383 15.482 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.192 -11.602 16.684 1.00 0.00 C ATOM 1324 C GLU A 86 -16.917 -12.336 17.802 1.00 0.00 C ATOM 1325 O GLU A 86 -17.806 -13.165 17.558 1.00 0.00 O ATOM 1326 CB GLU A 86 -16.837 -10.246 16.404 1.00 0.00 C ATOM 1327 CG GLU A 86 -18.226 -10.327 15.795 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.227 -10.350 14.266 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -17.353 -11.010 13.662 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -19.104 -9.707 13.670 1.00 0.00 O ATOM 0 H GLU A 86 -16.631 -11.983 14.699 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.172 -11.434 17.029 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.894 -9.685 17.337 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.191 -9.682 15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.723 -11.225 16.163 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.813 -9.475 16.137 1.00 0.00 H new ATOM 1337 N GLN A 87 -16.539 -12.007 19.028 1.00 0.00 N ATOM 1338 CA GLN A 87 -17.048 -12.685 20.215 1.00 0.00 C ATOM 1339 C GLN A 87 -18.554 -12.482 20.369 1.00 0.00 C ATOM 1340 O GLN A 87 -19.315 -13.439 20.533 1.00 0.00 O ATOM 1341 CB GLN A 87 -16.327 -12.130 21.449 1.00 0.00 C ATOM 1342 CG GLN A 87 -16.715 -12.795 22.748 1.00 0.00 C ATOM 1343 CD GLN A 87 -16.265 -14.244 22.807 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -15.227 -14.607 22.253 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -17.041 -15.079 23.459 1.00 0.00 N ATOM 0 H GLN A 87 -15.871 -11.263 19.230 1.00 0.00 H new ATOM 0 HA GLN A 87 -16.862 -13.754 20.113 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.252 -12.238 21.306 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -16.533 -11.062 21.526 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.276 -12.246 23.581 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.797 -12.747 22.870 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.893 -14.740 23.905 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.791 -16.066 23.519 1.00 0.00 H new ATOM 1354 N LEU A 88 -18.973 -11.230 20.301 1.00 0.00 N ATOM 1355 CA LEU A 88 -20.375 -10.878 20.432 1.00 0.00 C ATOM 1356 C LEU A 88 -21.194 -11.259 19.211 1.00 0.00 C ATOM 1357 O LEU A 88 -22.363 -11.609 19.332 1.00 0.00 O ATOM 1358 CB LEU A 88 -20.543 -9.404 20.785 1.00 0.00 C ATOM 1359 CG LEU A 88 -20.077 -9.013 22.185 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -20.186 -7.519 22.378 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -20.884 -9.748 23.246 1.00 0.00 C ATOM 0 H LEU A 88 -18.354 -10.433 20.154 1.00 0.00 H new ATOM 0 HA LEU A 88 -20.770 -11.468 21.259 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -19.993 -8.808 20.057 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -21.596 -9.140 20.683 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.031 -9.301 22.291 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -19.850 -7.256 23.381 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -19.563 -7.011 21.642 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -21.224 -7.210 22.250 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -20.536 -9.455 24.236 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -21.939 -9.493 23.142 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -20.756 -10.823 23.120 1.00 0.00 H new ATOM 1373 N GLY A 89 -20.586 -11.166 18.036 1.00 0.00 N ATOM 1374 CA GLY A 89 -21.298 -11.508 16.814 1.00 0.00 C ATOM 1375 C GLY A 89 -21.729 -12.961 16.791 1.00 0.00 C ATOM 1376 O GLY A 89 -22.852 -13.278 16.393 1.00 0.00 O ATOM 0 H GLY A 89 -19.621 -10.863 17.904 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -22.175 -10.869 16.716 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.659 -11.307 15.954 1.00 0.00 H new ATOM 1380 N GLY A 90 -20.836 -13.836 17.228 1.00 0.00 N ATOM 1381 CA GLY A 90 -21.140 -15.250 17.288 1.00 0.00 C ATOM 1382 C GLY A 90 -20.793 -15.968 16.005 1.00 0.00 C ATOM 1383 O GLY A 90 -20.907 -15.356 14.932 1.00 0.00 O ATOM 1384 OXT GLY A 90 -20.387 -17.145 16.069 1.00 0.00 O ATOM 0 H GLY A 90 -19.898 -13.589 17.545 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -20.591 -15.702 18.114 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -22.201 -15.382 17.500 1.00 0.00 H new TER 1388 GLY A 90