USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 946 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 37 THR OG1 : rot -100:sc= -0.0252 USER MOD Set 1.2: A 69 THR OG1 : rot -74:sc= 0.0439 USER MOD Set 2.1: A 12 MET CE :methyl 138:sc= -0.191 (180deg=-0.983) USER MOD Set 2.2: A 68 THR OG1 : rot -68:sc= 1.74 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 120:sc= -0.147 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 2.11 K(o=2.1,f=-4.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1.65 (180deg=1.37) USER MOD Single : A 29 SER OG : rot 180:sc=-0.00119 USER MOD Single : A 35 ASN : amide:sc= -0.0133 K(o=-0.013,f=-3.7!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 50 SER OG : rot -150:sc= 0.076 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0276) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= 0.00116 (180deg=-0.00407) USER MOD Single : A 78 SER OG : rot 47:sc= 0.126 USER MOD Single : A 90 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.41) USER MOD Single : A 93 MET CE :methyl 179:sc= -1.27 (180deg=-1.3) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00997 USER MOD Single : A 100 TYR OH : rot -130:sc= 1.17 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= 0.083 F(o=-0.6,f=0.083) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -161:sc= -0.0743 (180deg=-0.399) USER MOD Single : A 109 LYS NZ :NH3+ -106:sc= 0.901 (180deg=-1.18) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 38:sc= 0.184 USER MOD Single : A 121 THR OG1 : rot 37:sc= 0.0505 USER MOD Single : A 125 ASN : amide:sc= 0.612 K(o=0.61,f=-0.037) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 110:sc= -0.0934 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.642 -10.267 3.657 1.00 0.00 N ATOM 2 CA GLY A 1 27.032 -11.592 3.505 1.00 0.00 C ATOM 3 C GLY A 1 27.003 -11.986 2.044 1.00 0.00 C ATOM 4 O GLY A 1 26.308 -11.342 1.261 1.00 0.00 O ATOM 0 H1 GLY A 1 27.657 -10.005 4.663 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.615 -10.289 3.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.087 -9.566 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.596 -12.329 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.019 -11.583 3.908 1.00 0.00 H new ATOM 8 N ASP A 2 27.733 -13.044 1.681 1.00 0.00 N ATOM 9 CA ASP A 2 28.008 -13.488 0.315 1.00 0.00 C ATOM 10 C ASP A 2 29.001 -12.519 -0.288 1.00 0.00 C ATOM 11 O ASP A 2 30.201 -12.799 -0.245 1.00 0.00 O ATOM 12 CB ASP A 2 26.757 -13.785 -0.540 1.00 0.00 C ATOM 13 CG ASP A 2 25.963 -14.942 0.053 1.00 0.00 C ATOM 14 OD1 ASP A 2 25.273 -14.742 1.080 1.00 0.00 O ATOM 15 OD2 ASP A 2 26.100 -16.091 -0.421 1.00 0.00 O ATOM 0 H ASP A 2 28.173 -13.648 2.375 1.00 0.00 H new ATOM 0 HA ASP A 2 28.459 -14.480 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.128 -12.896 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 2 27.056 -14.027 -1.560 1.00 0.00 H new ATOM 20 N ASP A 3 28.545 -11.370 -0.766 1.00 0.00 N ATOM 21 CA ASP A 3 29.345 -10.294 -1.307 1.00 0.00 C ATOM 22 C ASP A 3 28.448 -9.064 -1.359 1.00 0.00 C ATOM 23 O ASP A 3 27.214 -9.167 -1.317 1.00 0.00 O ATOM 24 CB ASP A 3 29.903 -10.661 -2.687 1.00 0.00 C ATOM 25 CG ASP A 3 28.852 -10.706 -3.797 1.00 0.00 C ATOM 26 OD1 ASP A 3 28.611 -9.694 -4.489 1.00 0.00 O ATOM 27 OD2 ASP A 3 28.339 -11.816 -4.071 1.00 0.00 O ATOM 0 H ASP A 3 27.548 -11.157 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 3 30.215 -10.097 -0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 3 30.672 -9.938 -2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 3 30.389 -11.635 -2.623 1.00 0.00 H new ATOM 32 N ASP A 4 29.069 -7.899 -1.328 1.00 0.00 N ATOM 33 CA ASP A 4 28.478 -6.583 -1.418 1.00 0.00 C ATOM 34 C ASP A 4 29.140 -5.811 -2.551 1.00 0.00 C ATOM 35 O ASP A 4 30.096 -6.264 -3.178 1.00 0.00 O ATOM 36 CB ASP A 4 28.600 -5.828 -0.092 1.00 0.00 C ATOM 37 CG ASP A 4 30.020 -5.372 0.231 1.00 0.00 C ATOM 38 OD1 ASP A 4 30.776 -6.223 0.750 1.00 0.00 O ATOM 39 OD2 ASP A 4 30.293 -4.166 0.025 1.00 0.00 O ATOM 0 H ASP A 4 30.083 -7.849 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 4 27.414 -6.687 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 4 27.946 -4.956 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 4 28.242 -6.469 0.714 1.00 0.00 H new ATOM 44 N GLU A 5 28.566 -4.655 -2.862 1.00 0.00 N ATOM 45 CA GLU A 5 28.744 -3.979 -4.130 1.00 0.00 C ATOM 46 C GLU A 5 28.483 -2.500 -3.844 1.00 0.00 C ATOM 47 O GLU A 5 27.333 -2.044 -3.854 1.00 0.00 O ATOM 48 CB GLU A 5 27.858 -4.621 -5.214 1.00 0.00 C ATOM 49 CG GLU A 5 26.365 -4.746 -4.863 1.00 0.00 C ATOM 50 CD GLU A 5 25.628 -5.854 -5.612 1.00 0.00 C ATOM 51 OE1 GLU A 5 26.170 -6.445 -6.574 1.00 0.00 O ATOM 52 OE2 GLU A 5 24.491 -6.160 -5.194 1.00 0.00 O ATOM 0 H GLU A 5 27.951 -4.154 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 5 29.747 -4.076 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 5 27.950 -4.034 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.246 -5.616 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 5 26.270 -4.924 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 5 25.875 -3.795 -5.072 1.00 0.00 H new ATOM 59 N PRO A 6 29.509 -1.765 -3.396 1.00 0.00 N ATOM 60 CA PRO A 6 29.369 -0.356 -3.088 1.00 0.00 C ATOM 61 C PRO A 6 29.377 0.466 -4.384 1.00 0.00 C ATOM 62 O PRO A 6 29.782 -0.016 -5.447 1.00 0.00 O ATOM 63 CB PRO A 6 30.548 -0.073 -2.160 1.00 0.00 C ATOM 64 CG PRO A 6 31.650 -0.981 -2.705 1.00 0.00 C ATOM 65 CD PRO A 6 30.866 -2.225 -3.119 1.00 0.00 C ATOM 0 HA PRO A 6 28.430 -0.086 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 6 30.840 0.977 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 6 30.309 -0.308 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 6 32.171 -0.528 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 6 32.403 -1.207 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 6 31.308 -2.691 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 6 30.871 -2.973 -2.326 1.00 0.00 H new ATOM 73 N GLY A 7 28.954 1.723 -4.281 1.00 0.00 N ATOM 74 CA GLY A 7 28.769 2.632 -5.394 1.00 0.00 C ATOM 75 C GLY A 7 27.320 3.096 -5.425 1.00 0.00 C ATOM 76 O GLY A 7 26.425 2.309 -5.740 1.00 0.00 O ATOM 0 H GLY A 7 28.723 2.147 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.436 3.489 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.025 2.136 -6.330 1.00 0.00 H new ATOM 80 N GLY A 8 27.082 4.373 -5.123 1.00 0.00 N ATOM 81 CA GLY A 8 25.852 5.068 -5.454 1.00 0.00 C ATOM 82 C GLY A 8 24.980 5.286 -4.232 1.00 0.00 C ATOM 83 O GLY A 8 25.379 4.995 -3.103 1.00 0.00 O ATOM 0 H GLY A 8 27.757 4.959 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 8 26.089 6.030 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.299 4.494 -6.197 1.00 0.00 H new ATOM 87 N LYS A 9 23.797 5.861 -4.444 1.00 0.00 N ATOM 88 CA LYS A 9 22.941 6.389 -3.415 1.00 0.00 C ATOM 89 C LYS A 9 21.516 5.927 -3.677 1.00 0.00 C ATOM 90 O LYS A 9 21.181 5.353 -4.715 1.00 0.00 O ATOM 91 CB LYS A 9 23.048 7.930 -3.386 1.00 0.00 C ATOM 92 CG LYS A 9 23.421 8.473 -2.001 1.00 0.00 C ATOM 93 CD LYS A 9 24.860 8.119 -1.605 1.00 0.00 C ATOM 94 CE LYS A 9 25.229 8.792 -0.281 1.00 0.00 C ATOM 95 NZ LYS A 9 26.577 8.388 0.161 1.00 0.00 N ATOM 0 H LYS A 9 23.405 5.970 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 9 23.248 6.021 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 9 23.796 8.252 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.097 8.362 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.301 9.556 -1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.733 8.071 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.963 7.038 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.548 8.439 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.190 9.875 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.498 8.526 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.803 8.858 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.605 7.357 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.275 8.664 -0.558 1.00 0.00 H new ATOM 109 N GLY A 10 20.717 6.106 -2.650 1.00 0.00 N ATOM 110 CA GLY A 10 19.290 5.888 -2.526 1.00 0.00 C ATOM 111 C GLY A 10 18.980 5.737 -1.041 1.00 0.00 C ATOM 112 O GLY A 10 19.732 6.235 -0.197 1.00 0.00 O ATOM 0 H GLY A 10 21.100 6.452 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 10 18.735 6.725 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.989 4.995 -3.074 1.00 0.00 H new ATOM 116 N ALA A 11 17.902 5.035 -0.712 1.00 0.00 N ATOM 117 CA ALA A 11 17.251 5.025 0.590 1.00 0.00 C ATOM 118 C ALA A 11 16.835 3.592 0.969 1.00 0.00 C ATOM 119 O ALA A 11 17.341 2.613 0.428 1.00 0.00 O ATOM 120 CB ALA A 11 16.052 5.992 0.518 1.00 0.00 C ATOM 0 H ALA A 11 17.435 4.425 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 11 17.929 5.360 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.540 6.009 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.407 6.994 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.361 5.657 -0.255 1.00 0.00 H new ATOM 126 N MET A 12 15.930 3.484 1.936 1.00 0.00 N ATOM 127 CA MET A 12 15.019 2.386 2.204 1.00 0.00 C ATOM 128 C MET A 12 13.636 3.034 2.314 1.00 0.00 C ATOM 129 O MET A 12 13.562 4.254 2.508 1.00 0.00 O ATOM 130 CB MET A 12 15.358 1.703 3.535 1.00 0.00 C ATOM 131 CG MET A 12 16.814 1.238 3.609 1.00 0.00 C ATOM 132 SD MET A 12 17.154 -0.072 4.816 1.00 0.00 S ATOM 133 CE MET A 12 16.138 -1.389 4.095 1.00 0.00 C ATOM 0 H MET A 12 15.808 4.236 2.614 1.00 0.00 H new ATOM 0 HA MET A 12 15.075 1.627 1.424 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.160 2.395 4.354 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.700 0.846 3.676 1.00 0.00 H new ATOM 0 HG2 MET A 12 17.116 0.886 2.622 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.440 2.098 3.846 1.00 0.00 H new ATOM 0 HE1 MET A 12 16.683 -2.332 4.136 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.209 -1.482 4.658 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.910 -1.146 3.057 1.00 0.00 H new ATOM 143 N TYR A 13 12.568 2.244 2.257 1.00 0.00 N ATOM 144 CA TYR A 13 11.193 2.703 2.403 1.00 0.00 C ATOM 145 C TYR A 13 10.329 1.628 3.092 1.00 0.00 C ATOM 146 O TYR A 13 10.623 0.428 2.998 1.00 0.00 O ATOM 147 CB TYR A 13 10.627 3.036 1.012 1.00 0.00 C ATOM 148 CG TYR A 13 11.153 4.286 0.324 1.00 0.00 C ATOM 149 CD1 TYR A 13 10.832 5.543 0.864 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.858 4.214 -0.899 1.00 0.00 C ATOM 151 CE1 TYR A 13 11.251 6.720 0.228 1.00 0.00 C ATOM 152 CE2 TYR A 13 12.272 5.392 -1.561 1.00 0.00 C ATOM 153 CZ TYR A 13 11.986 6.648 -0.971 1.00 0.00 C ATOM 154 OH TYR A 13 12.393 7.817 -1.529 1.00 0.00 O ATOM 0 H TYR A 13 12.639 1.238 2.103 1.00 0.00 H new ATOM 0 HA TYR A 13 11.176 3.596 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.819 2.185 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.545 3.131 1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.258 5.603 1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.082 3.250 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.010 7.681 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.798 5.336 -2.502 1.00 0.00 H new ATOM 0 HH TYR A 13 13.371 7.828 -1.588 1.00 0.00 H new ATOM 164 N GLU A 14 9.243 2.056 3.746 1.00 0.00 N ATOM 165 CA GLU A 14 8.215 1.225 4.374 1.00 0.00 C ATOM 166 C GLU A 14 6.869 1.961 4.240 1.00 0.00 C ATOM 167 O GLU A 14 6.746 3.093 4.704 1.00 0.00 O ATOM 168 CB GLU A 14 8.558 0.976 5.860 1.00 0.00 C ATOM 169 CG GLU A 14 7.508 0.109 6.580 1.00 0.00 C ATOM 170 CD GLU A 14 7.713 0.064 8.098 1.00 0.00 C ATOM 171 OE1 GLU A 14 7.252 1.010 8.785 1.00 0.00 O ATOM 172 OE2 GLU A 14 8.281 -0.922 8.629 1.00 0.00 O ATOM 0 H GLU A 14 9.049 3.051 3.856 1.00 0.00 H new ATOM 0 HA GLU A 14 8.160 0.253 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.531 0.489 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.645 1.934 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.513 0.498 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.547 -0.905 6.183 1.00 0.00 H new ATOM 179 N VAL A 15 5.864 1.366 3.598 1.00 0.00 N ATOM 180 CA VAL A 15 4.476 1.862 3.557 1.00 0.00 C ATOM 181 C VAL A 15 3.632 1.096 4.572 1.00 0.00 C ATOM 182 O VAL A 15 3.881 -0.088 4.822 1.00 0.00 O ATOM 183 CB VAL A 15 3.894 1.774 2.116 1.00 0.00 C ATOM 184 CG1 VAL A 15 4.057 0.385 1.472 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.421 2.190 1.995 1.00 0.00 C ATOM 0 H VAL A 15 5.990 0.500 3.075 1.00 0.00 H new ATOM 0 HA VAL A 15 4.459 2.917 3.832 1.00 0.00 H new ATOM 0 HB VAL A 15 4.500 2.500 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.629 0.396 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.116 0.134 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.541 -0.360 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.101 2.097 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.808 1.544 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.307 3.225 2.319 1.00 0.00 H new ATOM 195 N THR A 16 2.584 1.742 5.082 1.00 0.00 N ATOM 196 CA THR A 16 1.547 1.111 5.874 1.00 0.00 C ATOM 197 C THR A 16 0.186 1.402 5.276 1.00 0.00 C ATOM 198 O THR A 16 -0.023 2.431 4.625 1.00 0.00 O ATOM 199 CB THR A 16 1.580 1.598 7.335 1.00 0.00 C ATOM 200 OG1 THR A 16 2.322 2.793 7.533 1.00 0.00 O ATOM 201 CG2 THR A 16 2.084 0.525 8.282 1.00 0.00 C ATOM 0 H THR A 16 2.436 2.742 4.949 1.00 0.00 H new ATOM 0 HA THR A 16 1.731 0.037 5.866 1.00 0.00 H new ATOM 0 HB THR A 16 0.539 1.825 7.566 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.297 3.041 8.481 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.090 0.913 9.301 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.429 -0.344 8.229 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.096 0.235 7.998 1.00 0.00 H new ATOM 209 N ILE A 17 -0.734 0.487 5.559 1.00 0.00 N ATOM 210 CA ILE A 17 -2.139 0.575 5.253 1.00 0.00 C ATOM 211 C ILE A 17 -2.899 0.026 6.458 1.00 0.00 C ATOM 212 O ILE A 17 -2.788 -1.164 6.726 1.00 0.00 O ATOM 213 CB ILE A 17 -2.397 -0.181 3.927 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.898 -0.413 3.676 1.00 0.00 C ATOM 215 CG2 ILE A 17 -1.705 -1.542 3.762 1.00 0.00 C ATOM 216 CD1 ILE A 17 -4.662 0.890 3.495 1.00 0.00 C ATOM 0 H ILE A 17 -0.495 -0.383 6.036 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.488 1.595 5.090 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.953 0.499 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.024 -1.032 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.323 -0.967 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.966 -1.968 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.625 -1.410 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.033 -2.215 4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.716 0.673 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.561 1.499 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.258 1.433 2.641 1.00 0.00 H new ATOM 228 N GLU A 18 -3.628 0.864 7.197 1.00 0.00 N ATOM 229 CA GLU A 18 -4.714 0.440 8.082 1.00 0.00 C ATOM 230 C GLU A 18 -6.008 0.594 7.282 1.00 0.00 C ATOM 231 O GLU A 18 -6.117 1.441 6.389 1.00 0.00 O ATOM 232 CB GLU A 18 -4.772 1.282 9.376 1.00 0.00 C ATOM 233 CG GLU A 18 -3.864 0.765 10.509 1.00 0.00 C ATOM 234 CD GLU A 18 -4.567 0.331 11.809 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.602 0.902 12.228 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.011 -0.544 12.508 1.00 0.00 O ATOM 0 H GLU A 18 -3.478 1.873 7.197 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.558 -0.590 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.491 2.309 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.801 1.307 9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.294 -0.083 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.146 1.547 10.754 1.00 0.00 H new ATOM 243 N GLN A 19 -6.990 -0.238 7.599 1.00 0.00 N ATOM 244 CA GLN A 19 -8.205 -0.456 6.848 1.00 0.00 C ATOM 245 C GLN A 19 -9.365 -0.312 7.807 1.00 0.00 C ATOM 246 O GLN A 19 -9.570 -1.164 8.672 1.00 0.00 O ATOM 247 CB GLN A 19 -8.172 -1.854 6.232 1.00 0.00 C ATOM 248 CG GLN A 19 -7.049 -1.946 5.193 1.00 0.00 C ATOM 249 CD GLN A 19 -7.420 -2.856 4.040 1.00 0.00 C ATOM 250 OE1 GLN A 19 -7.701 -2.370 2.945 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.428 -4.158 4.252 1.00 0.00 N ATOM 0 H GLN A 19 -6.951 -0.812 8.441 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.308 0.266 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.018 -2.600 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.131 -2.076 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.825 -0.950 4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.142 -2.316 5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.190 -4.526 5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.673 -4.796 3.495 1.00 0.00 H new ATOM 260 N SER A 20 -10.096 0.789 7.694 1.00 0.00 N ATOM 261 CA SER A 20 -11.129 1.122 8.656 1.00 0.00 C ATOM 262 C SER A 20 -12.505 1.057 8.016 1.00 0.00 C ATOM 263 O SER A 20 -12.617 1.006 6.788 1.00 0.00 O ATOM 264 CB SER A 20 -10.858 2.493 9.279 1.00 0.00 C ATOM 265 OG SER A 20 -9.475 2.766 9.441 1.00 0.00 O ATOM 0 H SER A 20 -9.989 1.468 6.940 1.00 0.00 H new ATOM 0 HA SER A 20 -11.109 0.384 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.304 3.265 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.350 2.548 10.250 1.00 0.00 H new ATOM 0 HG SER A 20 -9.361 3.654 9.841 1.00 0.00 H new ATOM 271 N GLY A 21 -13.547 1.094 8.843 1.00 0.00 N ATOM 272 CA GLY A 21 -14.903 0.888 8.384 1.00 0.00 C ATOM 273 C GLY A 21 -15.049 -0.495 7.763 1.00 0.00 C ATOM 274 O GLY A 21 -14.387 -1.456 8.153 1.00 0.00 O ATOM 0 H GLY A 21 -13.468 1.267 9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.596 0.994 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.166 1.652 7.652 1.00 0.00 H new ATOM 278 N ASP A 22 -15.962 -0.616 6.809 1.00 0.00 N ATOM 279 CA ASP A 22 -16.562 -1.886 6.415 1.00 0.00 C ATOM 280 C ASP A 22 -15.755 -2.634 5.346 1.00 0.00 C ATOM 281 O ASP A 22 -16.308 -3.279 4.461 1.00 0.00 O ATOM 282 CB ASP A 22 -18.006 -1.620 5.974 1.00 0.00 C ATOM 283 CG ASP A 22 -18.945 -2.712 6.481 1.00 0.00 C ATOM 284 OD1 ASP A 22 -18.550 -3.885 6.645 1.00 0.00 O ATOM 285 OD2 ASP A 22 -20.065 -2.355 6.911 1.00 0.00 O ATOM 0 H ASP A 22 -16.314 0.180 6.277 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.557 -2.556 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.332 -0.651 6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.054 -1.571 4.886 1.00 0.00 H new ATOM 290 N PHE A 23 -14.424 -2.526 5.390 1.00 0.00 N ATOM 291 CA PHE A 23 -13.499 -2.895 4.312 1.00 0.00 C ATOM 292 C PHE A 23 -13.554 -4.358 3.841 1.00 0.00 C ATOM 293 O PHE A 23 -12.847 -4.730 2.901 1.00 0.00 O ATOM 294 CB PHE A 23 -12.068 -2.550 4.757 1.00 0.00 C ATOM 295 CG PHE A 23 -11.442 -3.506 5.759 1.00 0.00 C ATOM 296 CD1 PHE A 23 -11.569 -3.278 7.143 1.00 0.00 C ATOM 297 CD2 PHE A 23 -10.683 -4.604 5.303 1.00 0.00 C ATOM 298 CE1 PHE A 23 -10.941 -4.140 8.059 1.00 0.00 C ATOM 299 CE2 PHE A 23 -10.061 -5.464 6.222 1.00 0.00 C ATOM 300 CZ PHE A 23 -10.183 -5.228 7.600 1.00 0.00 C ATOM 0 H PHE A 23 -13.940 -2.164 6.212 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.819 -2.320 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.432 -2.511 3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.073 -1.550 5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.149 -2.440 7.501 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.580 -4.784 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.042 -3.964 9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.488 -6.308 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.694 -5.883 8.306 1.00 0.00 H new ATOM 310 N ARG A 24 -14.330 -5.205 4.512 1.00 0.00 N ATOM 311 CA ARG A 24 -14.316 -6.654 4.369 1.00 0.00 C ATOM 312 C ARG A 24 -15.215 -7.163 3.238 1.00 0.00 C ATOM 313 O ARG A 24 -15.291 -8.378 3.042 1.00 0.00 O ATOM 314 CB ARG A 24 -14.663 -7.274 5.725 1.00 0.00 C ATOM 315 CG ARG A 24 -13.670 -6.805 6.800 1.00 0.00 C ATOM 316 CD ARG A 24 -13.787 -7.657 8.058 1.00 0.00 C ATOM 317 NE ARG A 24 -12.582 -7.541 8.895 1.00 0.00 N ATOM 318 CZ ARG A 24 -11.446 -8.227 8.720 1.00 0.00 C ATOM 319 NH1 ARG A 24 -11.309 -9.067 7.702 1.00 0.00 N ATOM 320 NH2 ARG A 24 -10.440 -8.077 9.576 1.00 0.00 N ATOM 0 H ARG A 24 -15.013 -4.885 5.198 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.316 -6.967 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -15.677 -6.994 6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.641 -8.361 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.653 -6.862 6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.860 -5.760 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.661 -7.347 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.941 -8.700 7.781 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.615 -6.883 9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.075 -9.196 7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.438 -9.583 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.534 -7.439 10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.574 -8.600 9.442 1.00 0.00 H new ATOM 334 N SER A 25 -15.879 -6.256 2.519 1.00 0.00 N ATOM 335 CA SER A 25 -16.866 -6.546 1.482 1.00 0.00 C ATOM 336 C SER A 25 -16.626 -5.647 0.255 1.00 0.00 C ATOM 337 O SER A 25 -17.574 -5.207 -0.396 1.00 0.00 O ATOM 338 CB SER A 25 -18.263 -6.368 2.097 1.00 0.00 C ATOM 339 OG SER A 25 -18.396 -7.178 3.259 1.00 0.00 O ATOM 0 H SER A 25 -15.736 -5.255 2.651 1.00 0.00 H new ATOM 0 HA SER A 25 -16.777 -7.572 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.424 -5.321 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 25 -19.026 -6.638 1.367 1.00 0.00 H new ATOM 0 HG SER A 25 -19.289 -7.055 3.643 1.00 0.00 H new ATOM 345 N PHE A 26 -15.365 -5.294 -0.027 1.00 0.00 N ATOM 346 CA PHE A 26 -14.983 -4.240 -0.960 1.00 0.00 C ATOM 347 C PHE A 26 -13.720 -4.645 -1.715 1.00 0.00 C ATOM 348 O PHE A 26 -12.625 -4.543 -1.166 1.00 0.00 O ATOM 349 CB PHE A 26 -14.753 -2.943 -0.176 1.00 0.00 C ATOM 350 CG PHE A 26 -15.998 -2.125 0.049 1.00 0.00 C ATOM 351 CD1 PHE A 26 -16.509 -1.373 -1.019 1.00 0.00 C ATOM 352 CD2 PHE A 26 -16.648 -2.120 1.292 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.720 -0.675 -0.871 1.00 0.00 C ATOM 354 CE2 PHE A 26 -17.823 -1.372 1.459 1.00 0.00 C ATOM 355 CZ PHE A 26 -18.372 -0.665 0.373 1.00 0.00 C ATOM 0 H PHE A 26 -14.562 -5.752 0.404 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.778 -4.082 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.315 -3.190 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.024 -2.334 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.972 -1.330 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.246 -2.689 2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.148 -0.148 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.308 -1.339 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.294 -0.115 0.496 1.00 0.00 H new ATOM 365 N ILE A 27 -13.871 -5.080 -2.965 1.00 0.00 N ATOM 366 CA ILE A 27 -12.824 -5.697 -3.782 1.00 0.00 C ATOM 367 C ILE A 27 -11.754 -4.665 -4.164 1.00 0.00 C ATOM 368 O ILE A 27 -11.932 -3.879 -5.107 1.00 0.00 O ATOM 369 CB ILE A 27 -13.452 -6.435 -4.987 1.00 0.00 C ATOM 370 CG1 ILE A 27 -14.424 -7.565 -4.563 1.00 0.00 C ATOM 371 CG2 ILE A 27 -12.377 -7.025 -5.918 1.00 0.00 C ATOM 372 CD1 ILE A 27 -13.840 -8.584 -3.583 1.00 0.00 C ATOM 0 H ILE A 27 -14.762 -5.010 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.301 -6.457 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.022 -5.676 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.308 -7.114 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.757 -8.092 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.858 -7.535 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.746 -6.222 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.765 -7.736 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -14.594 -9.334 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.975 -9.069 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.534 -8.076 -2.669 1.00 0.00 H new ATOM 384 N LYS A 28 -10.659 -4.635 -3.400 1.00 0.00 N ATOM 385 CA LYS A 28 -9.684 -3.543 -3.393 1.00 0.00 C ATOM 386 C LYS A 28 -8.350 -3.961 -4.010 1.00 0.00 C ATOM 387 O LYS A 28 -8.057 -5.152 -4.124 1.00 0.00 O ATOM 388 CB LYS A 28 -9.569 -3.006 -1.956 1.00 0.00 C ATOM 389 CG LYS A 28 -8.832 -3.951 -0.992 1.00 0.00 C ATOM 390 CD LYS A 28 -9.130 -3.654 0.486 1.00 0.00 C ATOM 391 CE LYS A 28 -10.542 -4.018 0.971 1.00 0.00 C ATOM 392 NZ LYS A 28 -10.840 -5.466 0.905 1.00 0.00 N ATOM 0 H LYS A 28 -10.421 -5.388 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.026 -2.729 -4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.049 -2.048 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.570 -2.817 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.115 -4.980 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.759 -3.871 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.406 -4.192 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.969 -2.591 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.662 -3.678 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.273 -3.478 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.602 -5.694 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.140 -5.715 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.987 -6.008 1.153 1.00 0.00 H new ATOM 406 N SER A 29 -7.547 -2.972 -4.413 1.00 0.00 N ATOM 407 CA SER A 29 -6.484 -3.154 -5.397 1.00 0.00 C ATOM 408 C SER A 29 -5.283 -2.263 -5.076 1.00 0.00 C ATOM 409 O SER A 29 -5.458 -1.048 -4.943 1.00 0.00 O ATOM 410 CB SER A 29 -7.067 -2.757 -6.761 1.00 0.00 C ATOM 411 OG SER A 29 -8.224 -3.521 -7.064 1.00 0.00 O ATOM 0 H SER A 29 -7.619 -2.017 -4.061 1.00 0.00 H new ATOM 0 HA SER A 29 -6.139 -4.188 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.318 -1.696 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.316 -2.904 -7.538 1.00 0.00 H new ATOM 0 HG SER A 29 -8.577 -3.248 -7.937 1.00 0.00 H new ATOM 417 N VAL A 30 -4.068 -2.818 -4.967 1.00 0.00 N ATOM 418 CA VAL A 30 -2.836 -2.064 -4.685 1.00 0.00 C ATOM 419 C VAL A 30 -1.699 -2.542 -5.609 1.00 0.00 C ATOM 420 O VAL A 30 -1.709 -3.672 -6.102 1.00 0.00 O ATOM 421 CB VAL A 30 -2.496 -2.195 -3.181 1.00 0.00 C ATOM 422 CG1 VAL A 30 -1.176 -1.527 -2.768 1.00 0.00 C ATOM 423 CG2 VAL A 30 -3.591 -1.594 -2.288 1.00 0.00 C ATOM 0 H VAL A 30 -3.910 -3.820 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.977 -1.004 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.409 -3.272 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.016 -1.667 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.352 -1.978 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.222 -0.461 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.310 -1.708 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.708 -0.535 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.533 -2.111 -2.469 1.00 0.00 H new ATOM 433 N VAL A 31 -0.703 -1.686 -5.850 1.00 0.00 N ATOM 434 CA VAL A 31 0.549 -1.912 -6.574 1.00 0.00 C ATOM 435 C VAL A 31 1.714 -1.655 -5.600 1.00 0.00 C ATOM 436 O VAL A 31 1.571 -0.856 -4.666 1.00 0.00 O ATOM 437 CB VAL A 31 0.582 -0.938 -7.781 1.00 0.00 C ATOM 438 CG1 VAL A 31 0.536 0.536 -7.369 1.00 0.00 C ATOM 439 CG2 VAL A 31 1.791 -1.122 -8.701 1.00 0.00 C ATOM 0 H VAL A 31 -0.759 -0.726 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 31 0.632 -2.932 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.324 -1.201 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.562 1.164 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.382 0.730 -6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.395 0.765 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.739 -0.403 -9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.708 -0.960 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.789 -2.134 -9.106 1.00 0.00 H new ATOM 449 N VAL A 32 2.884 -2.259 -5.822 1.00 0.00 N ATOM 450 CA VAL A 32 4.117 -1.908 -5.128 1.00 0.00 C ATOM 451 C VAL A 32 5.267 -2.096 -6.130 1.00 0.00 C ATOM 452 O VAL A 32 5.389 -3.169 -6.728 1.00 0.00 O ATOM 453 CB VAL A 32 4.337 -2.793 -3.874 1.00 0.00 C ATOM 454 CG1 VAL A 32 5.192 -1.984 -2.894 1.00 0.00 C ATOM 455 CG2 VAL A 32 3.085 -3.338 -3.162 1.00 0.00 C ATOM 0 H VAL A 32 2.999 -3.014 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 32 4.068 -0.878 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 32 4.821 -3.702 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.370 -2.573 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.145 -1.737 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.669 -1.065 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.387 -3.939 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.468 -2.506 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.513 -3.956 -3.854 1.00 0.00 H new ATOM 465 N VAL A 33 6.112 -1.079 -6.325 1.00 0.00 N ATOM 466 CA VAL A 33 7.233 -1.110 -7.268 1.00 0.00 C ATOM 467 C VAL A 33 8.482 -0.695 -6.490 1.00 0.00 C ATOM 468 O VAL A 33 8.450 0.338 -5.819 1.00 0.00 O ATOM 469 CB VAL A 33 6.967 -0.177 -8.472 1.00 0.00 C ATOM 470 CG1 VAL A 33 7.991 -0.440 -9.587 1.00 0.00 C ATOM 471 CG2 VAL A 33 5.564 -0.367 -9.071 1.00 0.00 C ATOM 0 H VAL A 33 6.034 -0.195 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 33 7.367 -2.108 -7.684 1.00 0.00 H new ATOM 0 HB VAL A 33 7.051 0.841 -8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.792 0.224 -10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.996 -0.255 -9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.913 -1.476 -9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.432 0.313 -9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.451 -1.395 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.812 -0.154 -8.311 1.00 0.00 H new ATOM 481 N ALA A 34 9.543 -1.513 -6.508 1.00 0.00 N ATOM 482 CA ALA A 34 10.786 -1.258 -5.785 1.00 0.00 C ATOM 483 C ALA A 34 11.957 -1.254 -6.757 1.00 0.00 C ATOM 484 O ALA A 34 12.319 -2.299 -7.315 1.00 0.00 O ATOM 485 CB ALA A 34 11.015 -2.302 -4.684 1.00 0.00 C ATOM 0 H ALA A 34 9.557 -2.385 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 34 10.709 -0.281 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.948 -2.084 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.188 -2.269 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.071 -3.295 -5.130 1.00 0.00 H new ATOM 491 N ASN A 35 12.552 -0.083 -6.941 1.00 0.00 N ATOM 492 CA ASN A 35 13.805 0.106 -7.657 1.00 0.00 C ATOM 493 C ASN A 35 14.953 -0.380 -6.780 1.00 0.00 C ATOM 494 O ASN A 35 15.053 0.064 -5.635 1.00 0.00 O ATOM 495 CB ASN A 35 13.969 1.603 -7.931 1.00 0.00 C ATOM 496 CG ASN A 35 15.107 1.958 -8.875 1.00 0.00 C ATOM 497 OD1 ASN A 35 16.160 1.336 -8.900 1.00 0.00 O ATOM 498 ND2 ASN A 35 14.906 2.979 -9.687 1.00 0.00 N ATOM 0 H ASN A 35 12.162 0.789 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 35 13.806 -0.452 -8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.037 1.986 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.129 2.116 -6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.633 3.258 -10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.023 3.489 -9.656 1.00 0.00 H new ATOM 505 N GLY A 36 15.819 -1.249 -7.303 1.00 0.00 N ATOM 506 CA GLY A 36 17.128 -1.514 -6.716 1.00 0.00 C ATOM 507 C GLY A 36 17.131 -2.416 -5.487 1.00 0.00 C ATOM 508 O GLY A 36 18.204 -2.686 -4.941 1.00 0.00 O ATOM 0 H GLY A 36 15.630 -1.789 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.762 -1.967 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.584 -0.562 -6.446 1.00 0.00 H new ATOM 512 N THR A 37 15.977 -2.912 -5.048 1.00 0.00 N ATOM 513 CA THR A 37 15.917 -3.854 -3.947 1.00 0.00 C ATOM 514 C THR A 37 14.669 -4.732 -4.064 1.00 0.00 C ATOM 515 O THR A 37 13.851 -4.523 -4.964 1.00 0.00 O ATOM 516 CB THR A 37 16.058 -3.078 -2.632 1.00 0.00 C ATOM 517 OG1 THR A 37 16.571 -3.936 -1.647 1.00 0.00 O ATOM 518 CG2 THR A 37 14.773 -2.430 -2.148 1.00 0.00 C ATOM 0 H THR A 37 15.068 -2.672 -5.445 1.00 0.00 H new ATOM 0 HA THR A 37 16.746 -4.561 -3.974 1.00 0.00 H new ATOM 0 HB THR A 37 16.743 -2.252 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.840 -4.254 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.961 -1.902 -1.213 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.417 -1.724 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.017 -3.198 -1.985 1.00 0.00 H new ATOM 526 N GLN A 38 14.520 -5.707 -3.166 1.00 0.00 N ATOM 527 CA GLN A 38 13.345 -6.567 -3.061 1.00 0.00 C ATOM 528 C GLN A 38 12.448 -6.066 -1.931 1.00 0.00 C ATOM 529 O GLN A 38 12.867 -5.279 -1.075 1.00 0.00 O ATOM 530 CB GLN A 38 13.796 -8.029 -2.888 1.00 0.00 C ATOM 531 CG GLN A 38 13.963 -8.664 -4.279 1.00 0.00 C ATOM 532 CD GLN A 38 14.985 -9.791 -4.293 1.00 0.00 C ATOM 533 OE1 GLN A 38 16.192 -9.574 -4.371 1.00 0.00 O ATOM 534 NE2 GLN A 38 14.545 -11.030 -4.200 1.00 0.00 N ATOM 0 H GLN A 38 15.236 -5.925 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 38 12.749 -6.529 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.736 -8.071 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.061 -8.584 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.000 -9.048 -4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.266 -7.896 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.543 -11.212 -4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.206 -11.807 -4.193 1.00 0.00 H new ATOM 543 N LEU A 39 11.184 -6.481 -1.956 1.00 0.00 N ATOM 544 CA LEU A 39 10.193 -6.076 -0.977 1.00 0.00 C ATOM 545 C LEU A 39 10.197 -7.054 0.191 1.00 0.00 C ATOM 546 O LEU A 39 10.807 -8.122 0.116 1.00 0.00 O ATOM 547 CB LEU A 39 8.806 -6.033 -1.639 1.00 0.00 C ATOM 548 CG LEU A 39 7.989 -4.821 -1.186 1.00 0.00 C ATOM 549 CD1 LEU A 39 8.519 -3.540 -1.845 1.00 0.00 C ATOM 550 CD2 LEU A 39 6.508 -5.007 -1.492 1.00 0.00 C ATOM 0 H LEU A 39 10.820 -7.115 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 39 10.434 -5.082 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.923 -6.007 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.262 -6.947 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 39 8.097 -4.728 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.927 -2.688 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.561 -3.390 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.446 -3.631 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.954 -4.129 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.372 -5.135 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.137 -5.890 -0.971 1.00 0.00 H new ATOM 562 N LYS A 40 9.464 -6.724 1.251 1.00 0.00 N ATOM 563 CA LYS A 40 9.243 -7.596 2.392 1.00 0.00 C ATOM 564 C LYS A 40 7.781 -7.501 2.804 1.00 0.00 C ATOM 565 O LYS A 40 7.204 -6.411 2.774 1.00 0.00 O ATOM 566 CB LYS A 40 10.192 -7.173 3.514 1.00 0.00 C ATOM 567 CG LYS A 40 10.192 -8.184 4.665 1.00 0.00 C ATOM 568 CD LYS A 40 11.141 -7.667 5.740 1.00 0.00 C ATOM 569 CE LYS A 40 11.122 -8.535 6.992 1.00 0.00 C ATOM 570 NZ LYS A 40 11.887 -7.906 8.078 1.00 0.00 N ATOM 0 H LYS A 40 8.998 -5.821 1.339 1.00 0.00 H new ATOM 0 HA LYS A 40 9.451 -8.638 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.202 -7.072 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.898 -6.193 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.186 -8.303 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.512 -9.164 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.155 -7.631 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.866 -6.646 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.093 -8.695 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.542 -9.515 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.860 -8.516 8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.874 -7.775 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.469 -6.981 8.306 1.00 0.00 H new ATOM 584 N ASP A 41 7.194 -8.640 3.153 1.00 0.00 N ATOM 585 CA ASP A 41 5.778 -8.817 3.454 1.00 0.00 C ATOM 586 C ASP A 41 5.543 -8.683 4.958 1.00 0.00 C ATOM 587 O ASP A 41 6.225 -9.340 5.746 1.00 0.00 O ATOM 588 CB ASP A 41 5.347 -10.212 2.993 1.00 0.00 C ATOM 589 CG ASP A 41 3.841 -10.268 2.791 1.00 0.00 C ATOM 590 OD1 ASP A 41 3.346 -9.843 1.724 1.00 0.00 O ATOM 591 OD2 ASP A 41 3.118 -10.735 3.695 1.00 0.00 O ATOM 0 H ASP A 41 7.720 -9.510 3.238 1.00 0.00 H new ATOM 0 HA ASP A 41 5.196 -8.054 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.854 -10.466 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.648 -10.954 3.732 1.00 0.00 H new ATOM 596 N GLY A 42 4.599 -7.846 5.391 1.00 0.00 N ATOM 597 CA GLY A 42 4.387 -7.572 6.812 1.00 0.00 C ATOM 598 C GLY A 42 3.800 -8.744 7.597 1.00 0.00 C ATOM 599 O GLY A 42 3.963 -8.782 8.820 1.00 0.00 O ATOM 0 H GLY A 42 3.964 -7.342 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.339 -7.289 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.721 -6.715 6.909 1.00 0.00 H new ATOM 603 N ALA A 43 3.140 -9.694 6.925 1.00 0.00 N ATOM 604 CA ALA A 43 2.473 -10.833 7.548 1.00 0.00 C ATOM 605 C ALA A 43 3.447 -11.704 8.342 1.00 0.00 C ATOM 606 O ALA A 43 3.071 -12.279 9.369 1.00 0.00 O ATOM 607 CB ALA A 43 1.828 -11.703 6.461 1.00 0.00 C ATOM 0 H ALA A 43 3.055 -9.688 5.909 1.00 0.00 H new ATOM 0 HA ALA A 43 1.724 -10.437 8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.329 -12.554 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.098 -11.112 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.598 -12.062 5.778 1.00 0.00 H new ATOM 613 N THR A 44 4.660 -11.849 7.816 1.00 0.00 N ATOM 614 CA THR A 44 5.591 -12.921 8.145 1.00 0.00 C ATOM 615 C THR A 44 7.047 -12.433 8.110 1.00 0.00 C ATOM 616 O THR A 44 7.888 -12.938 8.864 1.00 0.00 O ATOM 617 CB THR A 44 5.369 -14.047 7.117 1.00 0.00 C ATOM 618 OG1 THR A 44 5.188 -13.471 5.829 1.00 0.00 O ATOM 619 CG2 THR A 44 4.146 -14.898 7.466 1.00 0.00 C ATOM 0 H THR A 44 5.034 -11.199 7.124 1.00 0.00 H new ATOM 0 HA THR A 44 5.408 -13.278 9.159 1.00 0.00 H new ATOM 0 HB THR A 44 6.245 -14.696 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.048 -14.182 5.169 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.022 -15.681 6.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.287 -15.352 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.257 -14.268 7.482 1.00 0.00 H new ATOM 627 N GLY A 45 7.349 -11.423 7.288 1.00 0.00 N ATOM 628 CA GLY A 45 8.683 -10.897 7.057 1.00 0.00 C ATOM 629 C GLY A 45 9.423 -11.624 5.931 1.00 0.00 C ATOM 630 O GLY A 45 10.635 -11.454 5.797 1.00 0.00 O ATOM 0 H GLY A 45 6.636 -10.935 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.613 -9.837 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.263 -10.975 7.976 1.00 0.00 H new ATOM 634 N GLU A 46 8.727 -12.419 5.117 1.00 0.00 N ATOM 635 CA GLU A 46 9.242 -13.032 3.907 1.00 0.00 C ATOM 636 C GLU A 46 9.616 -11.906 2.953 1.00 0.00 C ATOM 637 O GLU A 46 8.892 -10.916 2.820 1.00 0.00 O ATOM 638 CB GLU A 46 8.168 -13.904 3.245 1.00 0.00 C ATOM 639 CG GLU A 46 7.602 -15.000 4.156 1.00 0.00 C ATOM 640 CD GLU A 46 8.495 -16.208 4.445 1.00 0.00 C ATOM 641 OE1 GLU A 46 9.720 -16.170 4.177 1.00 0.00 O ATOM 642 OE2 GLU A 46 7.946 -17.185 5.011 1.00 0.00 O ATOM 0 H GLU A 46 7.752 -12.658 5.296 1.00 0.00 H new ATOM 0 HA GLU A 46 10.100 -13.661 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.350 -13.265 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.591 -14.369 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.337 -14.542 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.677 -15.365 3.709 1.00 0.00 H new ATOM 649 N SER A 47 10.749 -12.048 2.293 1.00 0.00 N ATOM 650 CA SER A 47 11.157 -11.282 1.162 1.00 0.00 C ATOM 651 C SER A 47 10.282 -11.611 -0.049 1.00 0.00 C ATOM 652 O SER A 47 9.789 -12.738 -0.167 1.00 0.00 O ATOM 653 CB SER A 47 12.600 -11.711 0.923 1.00 0.00 C ATOM 654 OG SER A 47 13.378 -11.840 2.109 1.00 0.00 O ATOM 0 H SER A 47 11.442 -12.748 2.559 1.00 0.00 H new ATOM 0 HA SER A 47 11.065 -10.208 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.600 -12.666 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.078 -10.985 0.266 1.00 0.00 H new ATOM 0 HG SER A 47 14.288 -12.119 1.875 1.00 0.00 H new ATOM 660 N LEU A 48 10.100 -10.645 -0.954 1.00 0.00 N ATOM 661 CA LEU A 48 9.281 -10.784 -2.149 1.00 0.00 C ATOM 662 C LEU A 48 9.987 -10.188 -3.358 1.00 0.00 C ATOM 663 O LEU A 48 10.569 -9.100 -3.298 1.00 0.00 O ATOM 664 CB LEU A 48 7.966 -10.025 -1.977 1.00 0.00 C ATOM 665 CG LEU A 48 7.171 -10.311 -0.695 1.00 0.00 C ATOM 666 CD1 LEU A 48 6.057 -9.275 -0.636 1.00 0.00 C ATOM 667 CD2 LEU A 48 6.603 -11.727 -0.707 1.00 0.00 C ATOM 0 H LEU A 48 10.531 -9.725 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 48 9.101 -11.848 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.181 -8.957 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.328 -10.251 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 48 7.812 -10.244 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.459 -9.435 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.491 -8.275 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.423 -9.372 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.045 -11.903 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.939 -11.845 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.419 -12.446 -0.779 1.00 0.00 H new ATOM 679 N ALA A 49 9.825 -10.861 -4.494 1.00 0.00 N ATOM 680 CA ALA A 49 10.308 -10.415 -5.790 1.00 0.00 C ATOM 681 C ALA A 49 9.396 -9.330 -6.377 1.00 0.00 C ATOM 682 O ALA A 49 8.611 -9.591 -7.292 1.00 0.00 O ATOM 683 CB ALA A 49 10.391 -11.627 -6.721 1.00 0.00 C ATOM 0 H ALA A 49 9.340 -11.757 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 49 11.297 -9.971 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.752 -11.310 -7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.078 -12.362 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.402 -12.073 -6.826 1.00 0.00 H new ATOM 689 N SER A 50 9.519 -8.094 -5.900 1.00 0.00 N ATOM 690 CA SER A 50 8.912 -6.920 -6.507 1.00 0.00 C ATOM 691 C SER A 50 9.316 -6.797 -7.992 1.00 0.00 C ATOM 692 O SER A 50 10.393 -7.284 -8.374 1.00 0.00 O ATOM 693 CB SER A 50 9.328 -5.695 -5.684 1.00 0.00 C ATOM 694 OG SER A 50 10.613 -5.850 -5.108 1.00 0.00 O ATOM 0 H SER A 50 10.057 -7.879 -5.060 1.00 0.00 H new ATOM 0 HA SER A 50 7.825 -7.002 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.322 -4.811 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.596 -5.524 -4.895 1.00 0.00 H new ATOM 0 HG SER A 50 10.658 -5.346 -4.268 1.00 0.00 H new ATOM 700 N PRO A 51 8.525 -6.106 -8.837 1.00 0.00 N ATOM 701 CA PRO A 51 7.293 -5.387 -8.518 1.00 0.00 C ATOM 702 C PRO A 51 6.093 -6.340 -8.402 1.00 0.00 C ATOM 703 O PRO A 51 5.998 -7.347 -9.113 1.00 0.00 O ATOM 704 CB PRO A 51 7.130 -4.418 -9.690 1.00 0.00 C ATOM 705 CG PRO A 51 7.625 -5.237 -10.875 1.00 0.00 C ATOM 706 CD PRO A 51 8.816 -5.966 -10.258 1.00 0.00 C ATOM 0 HA PRO A 51 7.340 -4.880 -7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.093 -4.108 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.719 -3.511 -9.550 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.866 -5.927 -11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.918 -4.608 -11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.957 -6.942 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.737 -5.404 -10.412 1.00 0.00 H new ATOM 714 N VAL A 52 5.149 -6.022 -7.519 1.00 0.00 N ATOM 715 CA VAL A 52 4.034 -6.895 -7.141 1.00 0.00 C ATOM 716 C VAL A 52 2.759 -6.083 -6.986 1.00 0.00 C ATOM 717 O VAL A 52 2.798 -4.863 -6.814 1.00 0.00 O ATOM 718 CB VAL A 52 4.443 -7.672 -5.861 1.00 0.00 C ATOM 719 CG1 VAL A 52 3.330 -8.361 -5.055 1.00 0.00 C ATOM 720 CG2 VAL A 52 5.431 -8.800 -6.206 1.00 0.00 C ATOM 0 H VAL A 52 5.136 -5.126 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 52 3.819 -7.627 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 52 4.849 -6.871 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.764 -8.863 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.610 -7.615 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.825 -9.094 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.706 -9.333 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.963 -9.493 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.325 -8.374 -6.661 1.00 0.00 H new ATOM 730 N ILE A 53 1.634 -6.783 -7.076 1.00 0.00 N ATOM 731 CA ILE A 53 0.266 -6.327 -6.962 1.00 0.00 C ATOM 732 C ILE A 53 -0.321 -7.096 -5.786 1.00 0.00 C ATOM 733 O ILE A 53 -0.012 -8.278 -5.617 1.00 0.00 O ATOM 734 CB ILE A 53 -0.461 -6.657 -8.288 1.00 0.00 C ATOM 735 CG1 ILE A 53 0.180 -5.973 -9.513 1.00 0.00 C ATOM 736 CG2 ILE A 53 -1.954 -6.315 -8.249 1.00 0.00 C ATOM 737 CD1 ILE A 53 0.501 -4.490 -9.328 1.00 0.00 C ATOM 0 H ILE A 53 1.669 -7.788 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 53 0.172 -5.254 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.352 -7.736 -8.396 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.100 -6.500 -9.765 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.492 -6.081 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.410 -6.568 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.437 -6.884 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.078 -5.249 -8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.948 -4.098 -10.241 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.416 -3.944 -9.109 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.201 -4.370 -8.501 1.00 0.00 H new ATOM 749 N LEU A 54 -1.163 -6.439 -4.990 1.00 0.00 N ATOM 750 CA LEU A 54 -1.934 -7.091 -3.940 1.00 0.00 C ATOM 751 C LEU A 54 -3.373 -7.104 -4.422 1.00 0.00 C ATOM 752 O LEU A 54 -3.896 -6.057 -4.826 1.00 0.00 O ATOM 753 CB LEU A 54 -1.821 -6.380 -2.583 1.00 0.00 C ATOM 754 CG LEU A 54 -0.514 -6.535 -1.787 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.254 -7.965 -1.322 1.00 0.00 C ATOM 756 CD2 LEU A 54 0.711 -6.078 -2.568 1.00 0.00 C ATOM 0 H LEU A 54 -1.328 -5.435 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.549 -8.096 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.984 -5.315 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.638 -6.733 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.664 -5.893 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.684 -8.002 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.070 -8.292 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.189 -8.623 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.603 -6.211 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.804 -6.670 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.604 -5.025 -2.829 1.00 0.00 H new ATOM 768 N SER A 55 -3.973 -8.286 -4.393 1.00 0.00 N ATOM 769 CA SER A 55 -5.370 -8.524 -4.684 1.00 0.00 C ATOM 770 C SER A 55 -6.170 -8.515 -3.379 1.00 0.00 C ATOM 771 O SER A 55 -5.609 -8.458 -2.280 1.00 0.00 O ATOM 772 CB SER A 55 -5.480 -9.867 -5.415 1.00 0.00 C ATOM 773 OG SER A 55 -4.639 -9.878 -6.561 1.00 0.00 O ATOM 0 H SER A 55 -3.471 -9.141 -4.154 1.00 0.00 H new ATOM 0 HA SER A 55 -5.781 -7.742 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.200 -10.678 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.514 -10.042 -5.713 1.00 0.00 H new ATOM 0 HG SER A 55 -4.718 -10.742 -7.017 1.00 0.00 H new ATOM 779 N ASP A 56 -7.495 -8.591 -3.498 1.00 0.00 N ATOM 780 CA ASP A 56 -8.402 -8.361 -2.378 1.00 0.00 C ATOM 781 C ASP A 56 -8.186 -9.334 -1.221 1.00 0.00 C ATOM 782 O ASP A 56 -8.280 -8.944 -0.060 1.00 0.00 O ATOM 783 CB ASP A 56 -9.853 -8.466 -2.842 1.00 0.00 C ATOM 784 CG ASP A 56 -10.752 -8.018 -1.700 1.00 0.00 C ATOM 785 OD1 ASP A 56 -10.747 -6.801 -1.430 1.00 0.00 O ATOM 786 OD2 ASP A 56 -11.469 -8.840 -1.088 1.00 0.00 O ATOM 0 H ASP A 56 -7.968 -8.814 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.184 -7.357 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.017 -7.843 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.087 -9.491 -3.130 1.00 0.00 H new ATOM 791 N GLU A 57 -7.856 -10.589 -1.537 1.00 0.00 N ATOM 792 CA GLU A 57 -7.682 -11.652 -0.550 1.00 0.00 C ATOM 793 C GLU A 57 -6.522 -11.340 0.392 1.00 0.00 C ATOM 794 O GLU A 57 -6.585 -11.646 1.584 1.00 0.00 O ATOM 795 CB GLU A 57 -7.402 -12.986 -1.255 1.00 0.00 C ATOM 796 CG GLU A 57 -8.635 -13.555 -1.964 1.00 0.00 C ATOM 797 CD GLU A 57 -8.316 -14.906 -2.608 1.00 0.00 C ATOM 798 OE1 GLU A 57 -8.256 -15.919 -1.880 1.00 0.00 O ATOM 799 OE2 GLU A 57 -8.130 -14.954 -3.850 1.00 0.00 O ATOM 0 H GLU A 57 -7.701 -10.897 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.603 -11.722 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.603 -12.846 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.043 -13.710 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.450 -13.671 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.977 -12.855 -2.727 1.00 0.00 H new ATOM 806 N GLU A 58 -5.462 -10.739 -0.144 1.00 0.00 N ATOM 807 CA GLU A 58 -4.244 -10.418 0.585 1.00 0.00 C ATOM 808 C GLU A 58 -4.525 -9.197 1.469 1.00 0.00 C ATOM 809 O GLU A 58 -4.076 -9.107 2.613 1.00 0.00 O ATOM 810 CB GLU A 58 -3.095 -10.140 -0.412 1.00 0.00 C ATOM 811 CG GLU A 58 -3.202 -10.964 -1.707 1.00 0.00 C ATOM 812 CD GLU A 58 -1.987 -10.922 -2.616 1.00 0.00 C ATOM 813 OE1 GLU A 58 -0.926 -11.488 -2.272 1.00 0.00 O ATOM 814 OE2 GLU A 58 -2.132 -10.408 -3.747 1.00 0.00 O ATOM 0 H GLU A 58 -5.429 -10.456 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.937 -11.253 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.090 -9.079 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.143 -10.358 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.397 -12.003 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.066 -10.612 -2.270 1.00 0.00 H new ATOM 821 N LEU A 59 -5.332 -8.271 0.943 1.00 0.00 N ATOM 822 CA LEU A 59 -5.794 -7.039 1.573 1.00 0.00 C ATOM 823 C LEU A 59 -7.061 -7.295 2.404 1.00 0.00 C ATOM 824 O LEU A 59 -7.858 -6.379 2.633 1.00 0.00 O ATOM 825 CB LEU A 59 -6.024 -5.968 0.487 1.00 0.00 C ATOM 826 CG LEU A 59 -4.781 -5.660 -0.372 1.00 0.00 C ATOM 827 CD1 LEU A 59 -5.156 -4.827 -1.600 1.00 0.00 C ATOM 828 CD2 LEU A 59 -3.677 -4.948 0.428 1.00 0.00 C ATOM 0 H LEU A 59 -5.704 -8.374 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.033 -6.672 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.831 -6.298 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.358 -5.047 0.966 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.384 -6.621 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.261 -4.624 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.873 -5.378 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.601 -3.885 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.824 -4.754 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.060 -4.004 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.363 -5.581 1.258 1.00 0.00 H new ATOM 840 N ALA A 60 -7.271 -8.534 2.859 1.00 0.00 N ATOM 841 CA ALA A 60 -8.364 -8.901 3.748 1.00 0.00 C ATOM 842 C ALA A 60 -8.001 -8.734 5.230 1.00 0.00 C ATOM 843 O ALA A 60 -8.857 -8.963 6.090 1.00 0.00 O ATOM 844 CB ALA A 60 -8.765 -10.346 3.466 1.00 0.00 C ATOM 0 H ALA A 60 -6.671 -9.321 2.612 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.198 -8.227 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.583 -10.632 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.087 -10.439 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.912 -11.001 3.641 1.00 0.00 H new ATOM 850 N VAL A 61 -6.754 -8.387 5.551 1.00 0.00 N ATOM 851 CA VAL A 61 -6.316 -8.142 6.920 1.00 0.00 C ATOM 852 C VAL A 61 -6.670 -6.712 7.349 1.00 0.00 C ATOM 853 O VAL A 61 -6.903 -5.829 6.521 1.00 0.00 O ATOM 854 CB VAL A 61 -4.805 -8.415 7.051 1.00 0.00 C ATOM 855 CG1 VAL A 61 -4.472 -9.891 6.819 1.00 0.00 C ATOM 856 CG2 VAL A 61 -3.958 -7.564 6.101 1.00 0.00 C ATOM 0 H VAL A 61 -6.014 -8.268 4.859 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.839 -8.825 7.589 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.554 -8.139 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.397 -10.042 6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.995 -10.502 7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.786 -10.182 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.904 -7.802 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.244 -7.775 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.123 -6.508 6.314 1.00 0.00 H new ATOM 866 N GLU A 62 -6.645 -6.468 8.659 1.00 0.00 N ATOM 867 CA GLU A 62 -6.825 -5.147 9.260 1.00 0.00 C ATOM 868 C GLU A 62 -5.732 -4.162 8.835 1.00 0.00 C ATOM 869 O GLU A 62 -6.003 -2.970 8.718 1.00 0.00 O ATOM 870 CB GLU A 62 -6.865 -5.280 10.798 1.00 0.00 C ATOM 871 CG GLU A 62 -5.595 -5.940 11.356 1.00 0.00 C ATOM 872 CD GLU A 62 -5.464 -6.010 12.874 1.00 0.00 C ATOM 873 OE1 GLU A 62 -6.004 -5.146 13.595 1.00 0.00 O ATOM 874 OE2 GLU A 62 -4.693 -6.889 13.332 1.00 0.00 O ATOM 0 H GLU A 62 -6.495 -7.203 9.350 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.772 -4.743 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.985 -4.292 11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.736 -5.868 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.540 -6.955 10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.732 -5.400 10.966 1.00 0.00 H new ATOM 881 N LYS A 63 -4.490 -4.612 8.642 1.00 0.00 N ATOM 882 CA LYS A 63 -3.359 -3.727 8.397 1.00 0.00 C ATOM 883 C LYS A 63 -2.333 -4.480 7.578 1.00 0.00 C ATOM 884 O LYS A 63 -2.060 -5.639 7.901 1.00 0.00 O ATOM 885 CB LYS A 63 -2.752 -3.249 9.736 1.00 0.00 C ATOM 886 CG LYS A 63 -1.514 -2.337 9.593 1.00 0.00 C ATOM 887 CD LYS A 63 -0.965 -1.957 10.973 1.00 0.00 C ATOM 888 CE LYS A 63 0.236 -1.004 10.920 1.00 0.00 C ATOM 889 NZ LYS A 63 -0.169 0.417 10.903 1.00 0.00 N ATOM 0 H LYS A 63 -4.244 -5.602 8.652 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.686 -2.843 7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.518 -2.713 10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.477 -4.122 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.743 -2.848 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.781 -1.436 9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.761 -1.492 11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.673 -2.865 11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.878 -1.185 11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.828 -1.220 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.678 1.020 10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.702 0.616 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.768 0.617 11.729 1.00 0.00 H new ATOM 903 N VAL A 64 -1.717 -3.828 6.599 1.00 0.00 N ATOM 904 CA VAL A 64 -0.477 -4.317 6.026 1.00 0.00 C ATOM 905 C VAL A 64 0.581 -3.253 6.275 1.00 0.00 C ATOM 906 O VAL A 64 0.295 -2.061 6.391 1.00 0.00 O ATOM 907 CB VAL A 64 -0.608 -4.743 4.543 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.495 -5.749 4.197 1.00 0.00 C ATOM 909 CG2 VAL A 64 -1.944 -5.413 4.193 1.00 0.00 C ATOM 0 H VAL A 64 -2.059 -2.959 6.188 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.180 -5.246 6.513 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.533 -3.817 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.401 -6.047 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.470 -5.289 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.400 -6.627 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.952 -5.679 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.068 -6.313 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.762 -4.723 4.399 1.00 0.00 H new ATOM 919 N THR A 65 1.817 -3.708 6.357 1.00 0.00 N ATOM 920 CA THR A 65 3.026 -2.926 6.279 1.00 0.00 C ATOM 921 C THR A 65 3.860 -3.664 5.246 1.00 0.00 C ATOM 922 O THR A 65 3.952 -4.888 5.338 1.00 0.00 O ATOM 923 CB THR A 65 3.716 -2.896 7.649 1.00 0.00 C ATOM 924 OG1 THR A 65 2.788 -2.548 8.660 1.00 0.00 O ATOM 925 CG2 THR A 65 4.886 -1.913 7.646 1.00 0.00 C ATOM 0 H THR A 65 2.010 -4.701 6.489 1.00 0.00 H new ATOM 0 HA THR A 65 2.860 -1.885 6.003 1.00 0.00 H new ATOM 0 HB THR A 65 4.105 -3.893 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.241 -2.534 9.529 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.360 -1.909 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.614 -2.216 6.893 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.520 -0.913 7.415 1.00 0.00 H new ATOM 933 N LEU A 66 4.424 -2.982 4.252 1.00 0.00 N ATOM 934 CA LEU A 66 5.395 -3.613 3.366 1.00 0.00 C ATOM 935 C LEU A 66 6.579 -2.693 3.243 1.00 0.00 C ATOM 936 O LEU A 66 6.446 -1.467 3.157 1.00 0.00 O ATOM 937 CB LEU A 66 4.859 -3.949 1.972 1.00 0.00 C ATOM 938 CG LEU A 66 3.753 -5.018 1.988 1.00 0.00 C ATOM 939 CD1 LEU A 66 2.431 -4.315 1.683 1.00 0.00 C ATOM 940 CD2 LEU A 66 4.033 -6.140 0.993 1.00 0.00 C ATOM 0 H LEU A 66 4.228 -2.003 4.042 1.00 0.00 H new ATOM 0 HA LEU A 66 5.661 -4.571 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.471 -3.041 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.682 -4.297 1.348 1.00 0.00 H new ATOM 0 HG LEU A 66 3.711 -5.495 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.622 -5.045 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.239 -3.557 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.488 -3.841 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.228 -6.874 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.094 -5.727 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.978 -6.622 1.245 1.00 0.00 H new ATOM 952 N SER A 67 7.737 -3.311 3.144 1.00 0.00 N ATOM 953 CA SER A 67 9.013 -2.634 3.320 1.00 0.00 C ATOM 954 C SER A 67 10.050 -3.156 2.337 1.00 0.00 C ATOM 955 O SER A 67 9.705 -3.884 1.413 1.00 0.00 O ATOM 956 CB SER A 67 9.474 -2.702 4.785 1.00 0.00 C ATOM 957 OG SER A 67 8.554 -3.307 5.677 1.00 0.00 O ATOM 0 H SER A 67 7.824 -4.306 2.937 1.00 0.00 H new ATOM 0 HA SER A 67 8.883 -1.577 3.090 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.414 -3.252 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.681 -1.690 5.132 1.00 0.00 H new ATOM 0 HG SER A 67 8.929 -3.309 6.582 1.00 0.00 H new ATOM 963 N THR A 68 11.299 -2.728 2.478 1.00 0.00 N ATOM 964 CA THR A 68 12.358 -2.998 1.518 1.00 0.00 C ATOM 965 C THR A 68 13.502 -3.754 2.171 1.00 0.00 C ATOM 966 O THR A 68 13.916 -3.409 3.278 1.00 0.00 O ATOM 967 CB THR A 68 12.862 -1.673 0.951 1.00 0.00 C ATOM 968 OG1 THR A 68 12.907 -0.631 1.916 1.00 0.00 O ATOM 969 CG2 THR A 68 11.932 -1.204 -0.166 1.00 0.00 C ATOM 0 H THR A 68 11.608 -2.174 3.277 1.00 0.00 H new ATOM 0 HA THR A 68 11.961 -3.619 0.715 1.00 0.00 H new ATOM 0 HB THR A 68 13.874 -1.866 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.994 -0.389 2.179 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.295 -0.258 -0.568 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.910 -1.951 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.926 -1.067 0.231 1.00 0.00 H new ATOM 977 N THR A 69 14.057 -4.753 1.486 1.00 0.00 N ATOM 978 CA THR A 69 15.108 -5.558 2.081 1.00 0.00 C ATOM 979 C THR A 69 16.472 -4.862 2.047 1.00 0.00 C ATOM 980 O THR A 69 17.422 -5.304 2.705 1.00 0.00 O ATOM 981 CB THR A 69 15.159 -6.951 1.430 1.00 0.00 C ATOM 982 OG1 THR A 69 15.459 -6.856 0.052 1.00 0.00 O ATOM 983 CG2 THR A 69 13.849 -7.727 1.592 1.00 0.00 C ATOM 0 H THR A 69 13.798 -5.017 0.535 1.00 0.00 H new ATOM 0 HA THR A 69 14.862 -5.686 3.135 1.00 0.00 H new ATOM 0 HB THR A 69 15.948 -7.494 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.675 -6.520 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.942 -8.702 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.635 -7.862 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.036 -7.170 1.126 1.00 0.00 H new ATOM 991 N GLY A 70 16.618 -3.771 1.301 1.00 0.00 N ATOM 992 CA GLY A 70 17.908 -3.192 0.994 1.00 0.00 C ATOM 993 C GLY A 70 17.742 -1.814 0.377 1.00 0.00 C ATOM 994 O GLY A 70 16.771 -1.105 0.646 1.00 0.00 O ATOM 0 H GLY A 70 15.833 -3.264 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.506 -3.120 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.450 -3.841 0.306 1.00 0.00 H new ATOM 998 N LYS A 71 18.768 -1.404 -0.357 1.00 0.00 N ATOM 999 CA LYS A 71 18.962 -0.053 -0.850 1.00 0.00 C ATOM 1000 C LYS A 71 17.983 0.219 -1.993 1.00 0.00 C ATOM 1001 O LYS A 71 18.266 -0.070 -3.158 1.00 0.00 O ATOM 1002 CB LYS A 71 20.448 0.109 -1.231 1.00 0.00 C ATOM 1003 CG LYS A 71 21.039 1.410 -0.686 1.00 0.00 C ATOM 1004 CD LYS A 71 20.446 2.660 -1.340 1.00 0.00 C ATOM 1005 CE LYS A 71 20.674 2.756 -2.851 1.00 0.00 C ATOM 1006 NZ LYS A 71 22.102 2.686 -3.237 1.00 0.00 N ATOM 0 H LYS A 71 19.520 -2.035 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 71 18.742 0.698 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 71 21.016 -0.737 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.548 0.092 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 71 20.871 1.456 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.118 1.404 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.374 2.682 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.875 3.542 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.132 1.949 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.252 3.693 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.288 3.363 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.695 2.921 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.327 1.724 -3.563 1.00 0.00 H new ATOM 1020 N ALA A 72 16.822 0.757 -1.634 1.00 0.00 N ATOM 1021 CA ALA A 72 15.746 1.083 -2.544 1.00 0.00 C ATOM 1022 C ALA A 72 16.010 2.459 -3.126 1.00 0.00 C ATOM 1023 O ALA A 72 16.663 3.283 -2.484 1.00 0.00 O ATOM 1024 CB ALA A 72 14.414 1.120 -1.792 1.00 0.00 C ATOM 0 H ALA A 72 16.603 0.984 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 72 15.695 0.330 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.611 1.366 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.221 0.145 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 72 14.460 1.876 -1.008 1.00 0.00 H new ATOM 1030 N ILE A 73 15.461 2.739 -4.303 1.00 0.00 N ATOM 1031 CA ILE A 73 15.634 4.039 -4.951 1.00 0.00 C ATOM 1032 C ILE A 73 14.272 4.656 -5.246 1.00 0.00 C ATOM 1033 O ILE A 73 14.226 5.784 -5.719 1.00 0.00 O ATOM 1034 CB ILE A 73 16.469 3.938 -6.254 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.413 2.720 -6.324 1.00 0.00 C ATOM 1036 CG2 ILE A 73 17.270 5.241 -6.463 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.567 2.758 -5.335 1.00 0.00 C ATOM 0 H ILE A 73 14.889 2.081 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 73 16.186 4.679 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 73 15.747 3.792 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.831 1.815 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 73 17.818 2.648 -7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.855 5.165 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.582 6.083 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.940 5.396 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.178 1.864 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 73 19.177 3.642 -5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.174 2.796 -4.319 1.00 0.00 H new ATOM 1049 N GLU A 74 13.162 3.950 -5.018 1.00 0.00 N ATOM 1050 CA GLU A 74 11.833 4.450 -5.324 1.00 0.00 C ATOM 1051 C GLU A 74 10.843 3.872 -4.340 1.00 0.00 C ATOM 1052 O GLU A 74 11.067 2.784 -3.802 1.00 0.00 O ATOM 1053 CB GLU A 74 11.394 4.002 -6.722 1.00 0.00 C ATOM 1054 CG GLU A 74 12.184 4.715 -7.811 1.00 0.00 C ATOM 1055 CD GLU A 74 11.542 4.503 -9.175 1.00 0.00 C ATOM 1056 OE1 GLU A 74 10.509 5.154 -9.446 1.00 0.00 O ATOM 1057 OE2 GLU A 74 12.049 3.656 -9.953 1.00 0.00 O ATOM 0 H GLU A 74 13.167 3.013 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 74 11.862 5.538 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.529 2.925 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.331 4.203 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.235 5.781 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.209 4.343 -7.825 1.00 0.00 H new ATOM 1064 N PHE A 75 9.715 4.557 -4.230 1.00 0.00 N ATOM 1065 CA PHE A 75 8.438 3.963 -3.858 1.00 0.00 C ATOM 1066 C PHE A 75 7.388 4.458 -4.845 1.00 0.00 C ATOM 1067 O PHE A 75 7.413 5.623 -5.240 1.00 0.00 O ATOM 1068 CB PHE A 75 8.064 4.329 -2.404 1.00 0.00 C ATOM 1069 CG PHE A 75 7.936 3.186 -1.408 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.680 1.999 -1.533 1.00 0.00 C ATOM 1071 CD2 PHE A 75 7.111 3.333 -0.281 1.00 0.00 C ATOM 1072 CE1 PHE A 75 8.584 0.972 -0.577 1.00 0.00 C ATOM 1073 CE2 PHE A 75 7.082 2.351 0.712 1.00 0.00 C ATOM 1074 CZ PHE A 75 7.800 1.156 0.568 1.00 0.00 C ATOM 0 H PHE A 75 9.660 5.561 -4.400 1.00 0.00 H new ATOM 0 HA PHE A 75 8.499 2.876 -3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.815 5.023 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.116 4.866 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 75 9.338 1.874 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.493 4.213 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.114 0.043 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.497 2.515 1.605 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.749 0.390 1.328 1.00 0.00 H new ATOM 1084 N ALA A 76 6.440 3.598 -5.213 1.00 0.00 N ATOM 1085 CA ALA A 76 5.228 3.999 -5.911 1.00 0.00 C ATOM 1086 C ALA A 76 4.062 3.224 -5.304 1.00 0.00 C ATOM 1087 O ALA A 76 4.162 2.004 -5.124 1.00 0.00 O ATOM 1088 CB ALA A 76 5.390 3.764 -7.413 1.00 0.00 C ATOM 0 H ALA A 76 6.496 2.596 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 76 5.029 5.064 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.479 4.066 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.230 4.351 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.577 2.706 -7.598 1.00 0.00 H new ATOM 1094 N VAL A 77 2.993 3.921 -4.924 1.00 0.00 N ATOM 1095 CA VAL A 77 1.902 3.398 -4.112 1.00 0.00 C ATOM 1096 C VAL A 77 0.597 3.961 -4.688 1.00 0.00 C ATOM 1097 O VAL A 77 0.254 5.116 -4.437 1.00 0.00 O ATOM 1098 CB VAL A 77 2.145 3.779 -2.628 1.00 0.00 C ATOM 1099 CG1 VAL A 77 0.982 3.334 -1.732 1.00 0.00 C ATOM 1100 CG2 VAL A 77 3.454 3.192 -2.065 1.00 0.00 C ATOM 0 H VAL A 77 2.860 4.899 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 77 1.841 2.310 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 77 2.223 4.866 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.188 3.618 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.062 3.815 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.868 2.252 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.569 3.493 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.421 2.104 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.299 3.563 -2.645 1.00 0.00 H new ATOM 1110 N SER A 78 -0.125 3.160 -5.474 1.00 0.00 N ATOM 1111 CA SER A 78 -1.442 3.508 -5.989 1.00 0.00 C ATOM 1112 C SER A 78 -2.444 2.470 -5.491 1.00 0.00 C ATOM 1113 O SER A 78 -2.061 1.355 -5.113 1.00 0.00 O ATOM 1114 CB SER A 78 -1.372 3.628 -7.519 1.00 0.00 C ATOM 1115 OG SER A 78 -2.628 3.730 -8.154 1.00 0.00 O ATOM 0 H SER A 78 0.197 2.239 -5.772 1.00 0.00 H new ATOM 0 HA SER A 78 -1.780 4.478 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.777 4.504 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.847 2.759 -7.916 1.00 0.00 H new ATOM 0 HG SER A 78 -3.177 4.394 -7.688 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.725 2.831 -5.479 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.799 1.908 -5.188 1.00 0.00 C ATOM 1123 C GLY A 79 -6.165 2.577 -5.192 1.00 0.00 C ATOM 1124 O GLY A 79 -6.283 3.806 -5.223 1.00 0.00 O ATOM 0 H GLY A 79 -4.041 3.781 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.791 1.104 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.626 1.451 -4.214 1.00 0.00 H new ATOM 1128 N GLY A 80 -7.194 1.738 -5.105 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.595 2.109 -5.076 1.00 0.00 C ATOM 1130 C GLY A 80 -9.447 0.860 -4.854 1.00 0.00 C ATOM 1131 O GLY A 80 -8.918 -0.221 -4.570 1.00 0.00 O ATOM 0 H GLY A 80 -7.059 0.728 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.775 2.831 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.874 2.591 -6.013 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.767 1.017 -4.954 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.747 -0.042 -4.725 1.00 0.00 C ATOM 1137 C VAL A 81 -12.947 0.171 -5.657 1.00 0.00 C ATOM 1138 O VAL A 81 -12.907 1.058 -6.517 1.00 0.00 O ATOM 1139 CB VAL A 81 -12.083 -0.074 -3.215 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -12.981 1.066 -2.744 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -12.682 -1.388 -2.745 1.00 0.00 C ATOM 0 H VAL A 81 -11.195 1.909 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.362 -1.031 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 81 -11.102 0.051 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -13.165 0.966 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.491 2.020 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -13.929 1.028 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.890 -1.332 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -13.609 -1.579 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.978 -2.198 -2.935 1.00 0.00 H new ATOM 1151 N VAL A 82 -13.992 -0.642 -5.518 1.00 0.00 N ATOM 1152 CA VAL A 82 -15.226 -0.592 -6.289 1.00 0.00 C ATOM 1153 C VAL A 82 -16.422 -0.704 -5.351 1.00 0.00 C ATOM 1154 O VAL A 82 -16.282 -0.488 -4.149 1.00 0.00 O ATOM 1155 CB VAL A 82 -15.192 -1.691 -7.372 1.00 0.00 C ATOM 1156 CG1 VAL A 82 -14.107 -1.403 -8.410 1.00 0.00 C ATOM 1157 CG2 VAL A 82 -15.000 -3.114 -6.831 1.00 0.00 C ATOM 0 H VAL A 82 -13.998 -1.392 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 82 -15.325 0.363 -6.805 1.00 0.00 H new ATOM 0 HB VAL A 82 -16.181 -1.658 -7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.104 -2.192 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.308 -0.445 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.135 -1.366 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.988 -3.820 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -14.055 -3.173 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -15.820 -3.360 -6.156 1.00 0.00 H new ATOM 1167 N ASP A 83 -17.597 -0.987 -5.906 1.00 0.00 N ATOM 1168 CA ASP A 83 -18.743 -1.514 -5.191 1.00 0.00 C ATOM 1169 C ASP A 83 -19.476 -2.380 -6.206 1.00 0.00 C ATOM 1170 O ASP A 83 -20.065 -1.862 -7.159 1.00 0.00 O ATOM 1171 CB ASP A 83 -19.632 -0.374 -4.713 1.00 0.00 C ATOM 1172 CG ASP A 83 -20.811 -0.794 -3.841 1.00 0.00 C ATOM 1173 OD1 ASP A 83 -21.027 -2.006 -3.640 1.00 0.00 O ATOM 1174 OD2 ASP A 83 -21.559 0.109 -3.411 1.00 0.00 O ATOM 0 H ASP A 83 -17.778 -0.849 -6.900 1.00 0.00 H new ATOM 0 HA ASP A 83 -18.455 -2.082 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -19.020 0.333 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -20.016 0.157 -5.584 1.00 0.00 H new ATOM 1179 N GLY A 84 -19.282 -3.689 -6.124 1.00 0.00 N ATOM 1180 CA GLY A 84 -19.753 -4.608 -7.149 1.00 0.00 C ATOM 1181 C GLY A 84 -20.054 -5.968 -6.554 1.00 0.00 C ATOM 1182 O GLY A 84 -19.990 -6.969 -7.262 1.00 0.00 O ATOM 0 H GLY A 84 -18.796 -4.141 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -20.650 -4.206 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.999 -4.706 -7.930 1.00 0.00 H new ATOM 1186 N GLU A 85 -20.303 -6.047 -5.251 1.00 0.00 N ATOM 1187 CA GLU A 85 -20.575 -7.309 -4.548 1.00 0.00 C ATOM 1188 C GLU A 85 -22.054 -7.702 -4.723 1.00 0.00 C ATOM 1189 O GLU A 85 -22.813 -7.889 -3.768 1.00 0.00 O ATOM 1190 CB GLU A 85 -20.090 -7.233 -3.088 1.00 0.00 C ATOM 1191 CG GLU A 85 -18.610 -7.632 -2.951 1.00 0.00 C ATOM 1192 CD GLU A 85 -18.433 -9.148 -3.059 1.00 0.00 C ATOM 1193 OE1 GLU A 85 -19.015 -9.883 -2.230 1.00 0.00 O ATOM 1194 OE2 GLU A 85 -17.762 -9.668 -3.980 1.00 0.00 O ATOM 0 H GLU A 85 -20.323 -5.230 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 85 -20.001 -8.123 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.229 -6.219 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.701 -7.889 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.024 -7.139 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -18.225 -7.286 -1.992 1.00 0.00 H new ATOM 1201 N ASP A 86 -22.457 -7.833 -5.990 1.00 0.00 N ATOM 1202 CA ASP A 86 -23.822 -8.068 -6.468 1.00 0.00 C ATOM 1203 C ASP A 86 -24.846 -7.159 -5.769 1.00 0.00 C ATOM 1204 O ASP A 86 -25.983 -7.558 -5.502 1.00 0.00 O ATOM 1205 CB ASP A 86 -24.175 -9.570 -6.443 1.00 0.00 C ATOM 1206 CG ASP A 86 -25.282 -9.961 -7.438 1.00 0.00 C ATOM 1207 OD1 ASP A 86 -25.918 -9.090 -8.078 1.00 0.00 O ATOM 1208 OD2 ASP A 86 -25.444 -11.184 -7.689 1.00 0.00 O ATOM 0 H ASP A 86 -21.792 -7.774 -6.761 1.00 0.00 H new ATOM 0 HA ASP A 86 -23.870 -7.776 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -23.278 -10.149 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -24.490 -9.844 -5.436 1.00 0.00 H new ATOM 1213 N GLY A 87 -24.448 -5.916 -5.481 1.00 0.00 N ATOM 1214 CA GLY A 87 -25.324 -4.870 -4.987 1.00 0.00 C ATOM 1215 C GLY A 87 -25.585 -4.955 -3.490 1.00 0.00 C ATOM 1216 O GLY A 87 -26.543 -4.338 -3.026 1.00 0.00 O ATOM 0 H GLY A 87 -23.481 -5.610 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.884 -3.900 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -26.275 -4.922 -5.517 1.00 0.00 H new ATOM 1220 N VAL A 88 -24.814 -5.730 -2.719 1.00 0.00 N ATOM 1221 CA VAL A 88 -24.965 -5.722 -1.267 1.00 0.00 C ATOM 1222 C VAL A 88 -24.751 -4.296 -0.748 1.00 0.00 C ATOM 1223 O VAL A 88 -23.779 -3.623 -1.114 1.00 0.00 O ATOM 1224 CB VAL A 88 -24.077 -6.780 -0.592 1.00 0.00 C ATOM 1225 CG1 VAL A 88 -22.587 -6.529 -0.793 1.00 0.00 C ATOM 1226 CG2 VAL A 88 -24.368 -6.869 0.909 1.00 0.00 C ATOM 0 H VAL A 88 -24.093 -6.359 -3.072 1.00 0.00 H new ATOM 0 HA VAL A 88 -25.980 -6.015 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 88 -24.326 -7.723 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -22.016 -7.311 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -22.357 -6.537 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -22.321 -5.559 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -23.725 -7.625 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -24.174 -5.903 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -25.412 -7.142 1.062 1.00 0.00 H new ATOM 1236 N VAL A 89 -25.673 -3.840 0.096 1.00 0.00 N ATOM 1237 CA VAL A 89 -25.540 -2.597 0.830 1.00 0.00 C ATOM 1238 C VAL A 89 -24.865 -2.936 2.162 1.00 0.00 C ATOM 1239 O VAL A 89 -25.171 -3.955 2.789 1.00 0.00 O ATOM 1240 CB VAL A 89 -26.920 -1.934 1.000 1.00 0.00 C ATOM 1241 CG1 VAL A 89 -26.764 -0.530 1.600 1.00 0.00 C ATOM 1242 CG2 VAL A 89 -27.662 -1.802 -0.343 1.00 0.00 C ATOM 0 H VAL A 89 -26.544 -4.335 0.288 1.00 0.00 H new ATOM 0 HA VAL A 89 -24.927 -1.870 0.298 1.00 0.00 H new ATOM 0 HB VAL A 89 -27.500 -2.575 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -27.747 -0.072 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -26.281 -0.602 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -26.153 0.083 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -28.631 -1.330 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -27.072 -1.191 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -27.810 -2.791 -0.776 1.00 0.00 H new ATOM 1252 N ASN A 90 -23.928 -2.087 2.566 1.00 0.00 N ATOM 1253 CA ASN A 90 -23.085 -2.182 3.752 1.00 0.00 C ATOM 1254 C ASN A 90 -22.876 -0.744 4.250 1.00 0.00 C ATOM 1255 O ASN A 90 -23.740 0.110 4.048 1.00 0.00 O ATOM 1256 CB ASN A 90 -21.785 -2.952 3.477 1.00 0.00 C ATOM 1257 CG ASN A 90 -21.244 -2.685 2.094 1.00 0.00 C ATOM 1258 OD1 ASN A 90 -20.993 -1.556 1.702 1.00 0.00 O ATOM 1259 ND2 ASN A 90 -21.167 -3.749 1.328 1.00 0.00 N ATOM 0 H ASN A 90 -23.721 -1.245 2.028 1.00 0.00 H new ATOM 0 HA ASN A 90 -23.560 -2.770 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -21.036 -2.673 4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -21.966 -4.020 3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -20.886 -3.656 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -21.389 -4.669 1.709 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.793 -0.458 4.965 1.00 0.00 N ATOM 1267 CA GLU A 91 -21.346 0.887 5.303 1.00 0.00 C ATOM 1268 C GLU A 91 -20.047 1.180 4.543 1.00 0.00 C ATOM 1269 O GLU A 91 -19.425 0.254 4.032 1.00 0.00 O ATOM 1270 CB GLU A 91 -21.122 0.958 6.816 1.00 0.00 C ATOM 1271 CG GLU A 91 -22.450 0.945 7.567 1.00 0.00 C ATOM 1272 CD GLU A 91 -22.296 1.014 9.085 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -21.151 0.995 9.605 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -23.351 1.033 9.757 1.00 0.00 O ATOM 0 H GLU A 91 -21.181 -1.183 5.338 1.00 0.00 H new ATOM 0 HA GLU A 91 -22.091 1.631 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.511 0.114 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -20.569 1.864 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -23.055 1.788 7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -22.996 0.038 7.307 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.602 2.443 4.459 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.366 2.779 3.762 1.00 0.00 C ATOM 1283 C PRO A 92 -17.098 2.352 4.517 1.00 0.00 C ATOM 1284 O PRO A 92 -17.168 1.775 5.608 1.00 0.00 O ATOM 1285 CB PRO A 92 -18.462 4.297 3.569 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.284 4.775 4.761 1.00 0.00 C ATOM 1287 CD PRO A 92 -20.301 3.648 4.895 1.00 0.00 C ATOM 0 HA PRO A 92 -18.271 2.241 2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.475 4.760 3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.946 4.549 2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.677 4.890 5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.760 5.737 4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -20.647 3.551 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -21.180 3.837 4.279 1.00 0.00 H new ATOM 1295 N MET A 93 -15.919 2.632 3.950 1.00 0.00 N ATOM 1296 CA MET A 93 -14.628 2.247 4.518 1.00 0.00 C ATOM 1297 C MET A 93 -13.605 3.388 4.392 1.00 0.00 C ATOM 1298 O MET A 93 -13.895 4.424 3.788 1.00 0.00 O ATOM 1299 CB MET A 93 -14.167 0.915 3.892 1.00 0.00 C ATOM 1300 CG MET A 93 -13.633 1.022 2.458 1.00 0.00 C ATOM 1301 SD MET A 93 -12.502 -0.308 1.966 1.00 0.00 S ATOM 1302 CE MET A 93 -11.052 0.172 2.945 1.00 0.00 C ATOM 0 H MET A 93 -15.837 3.141 3.070 1.00 0.00 H new ATOM 0 HA MET A 93 -14.727 2.074 5.590 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.388 0.485 4.522 1.00 0.00 H new ATOM 0 HB3 MET A 93 -15.005 0.218 3.900 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.479 1.034 1.770 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.119 1.977 2.347 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.250 -0.548 2.784 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.717 1.163 2.638 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.317 0.190 4.002 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.411 3.232 4.969 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.302 4.180 4.859 1.00 0.00 C ATOM 1314 C GLN A 94 -9.980 3.418 4.752 1.00 0.00 C ATOM 1315 O GLN A 94 -9.890 2.240 5.109 1.00 0.00 O ATOM 1316 CB GLN A 94 -11.266 5.149 6.063 1.00 0.00 C ATOM 1317 CG GLN A 94 -12.477 6.090 6.129 1.00 0.00 C ATOM 1318 CD GLN A 94 -12.336 7.150 7.218 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -11.760 8.210 6.990 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -12.853 6.911 8.413 1.00 0.00 N ATOM 0 H GLN A 94 -12.184 2.419 5.542 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.451 4.776 3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.216 4.569 6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.355 5.745 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.605 6.580 5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.378 5.505 6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -13.330 6.028 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -12.774 7.610 9.152 1.00 0.00 H new ATOM 1329 N TRP A 95 -8.944 4.110 4.284 1.00 0.00 N ATOM 1330 CA TRP A 95 -7.577 3.632 4.143 1.00 0.00 C ATOM 1331 C TRP A 95 -6.688 4.657 4.825 1.00 0.00 C ATOM 1332 O TRP A 95 -6.541 5.759 4.301 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.194 3.538 2.658 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.456 2.268 1.917 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.016 1.136 2.397 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -7.041 1.961 0.555 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -7.965 0.152 1.431 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -7.396 0.614 0.263 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -6.371 2.691 -0.451 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -7.086 0.018 -0.967 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -6.068 2.104 -1.692 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -6.422 0.768 -1.950 1.00 0.00 C ATOM 0 H TRP A 95 -9.046 5.077 3.976 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.467 2.642 4.585 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.716 4.338 2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.127 3.749 2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.438 1.019 3.384 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.306 -0.800 1.564 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.087 3.716 -0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.356 -1.010 -1.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.561 2.682 -2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.183 0.320 -2.903 1.00 0.00 H new ATOM 1353 N VAL A 96 -6.111 4.328 5.977 1.00 0.00 N ATOM 1354 CA VAL A 96 -5.186 5.207 6.683 1.00 0.00 C ATOM 1355 C VAL A 96 -3.785 4.747 6.277 1.00 0.00 C ATOM 1356 O VAL A 96 -3.379 3.628 6.600 1.00 0.00 O ATOM 1357 CB VAL A 96 -5.444 5.182 8.204 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -4.689 6.333 8.879 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -6.937 5.292 8.558 1.00 0.00 C ATOM 0 H VAL A 96 -6.273 3.439 6.449 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.316 6.255 6.414 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.087 4.218 8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.875 6.310 9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.620 6.225 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.034 7.283 8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.057 5.269 9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.335 6.229 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.478 4.456 8.115 1.00 0.00 H new ATOM 1369 N VAL A 97 -3.081 5.552 5.480 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.918 5.141 4.714 1.00 0.00 C ATOM 1371 C VAL A 97 -0.792 6.143 4.934 1.00 0.00 C ATOM 1372 O VAL A 97 -1.009 7.356 4.916 1.00 0.00 O ATOM 1373 CB VAL A 97 -2.306 5.005 3.228 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -3.137 3.749 2.988 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -3.068 6.205 2.640 1.00 0.00 C ATOM 0 H VAL A 97 -3.317 6.536 5.350 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.560 4.167 5.047 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.347 4.951 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.396 3.680 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.561 2.871 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.049 3.797 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.295 6.013 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.997 6.352 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.453 7.101 2.720 1.00 0.00 H new ATOM 1385 N THR A 98 0.416 5.639 5.156 1.00 0.00 N ATOM 1386 CA THR A 98 1.562 6.441 5.557 1.00 0.00 C ATOM 1387 C THR A 98 2.793 5.862 4.864 1.00 0.00 C ATOM 1388 O THR A 98 2.793 4.686 4.489 1.00 0.00 O ATOM 1389 CB THR A 98 1.674 6.384 7.090 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.413 6.608 7.700 1.00 0.00 O ATOM 1391 CG2 THR A 98 2.604 7.426 7.696 1.00 0.00 C ATOM 0 H THR A 98 0.629 4.646 5.061 1.00 0.00 H new ATOM 0 HA THR A 98 1.463 7.487 5.268 1.00 0.00 H new ATOM 0 HB THR A 98 2.072 5.387 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.509 6.566 8.674 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.622 7.312 8.780 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.610 7.289 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.247 8.424 7.442 1.00 0.00 H new ATOM 1399 N VAL A 99 3.829 6.678 4.672 1.00 0.00 N ATOM 1400 CA VAL A 99 5.051 6.258 4.001 1.00 0.00 C ATOM 1401 C VAL A 99 6.238 6.752 4.820 1.00 0.00 C ATOM 1402 O VAL A 99 6.310 7.934 5.176 1.00 0.00 O ATOM 1403 CB VAL A 99 5.081 6.754 2.539 1.00 0.00 C ATOM 1404 CG1 VAL A 99 6.273 6.127 1.809 1.00 0.00 C ATOM 1405 CG2 VAL A 99 3.807 6.393 1.751 1.00 0.00 C ATOM 0 H VAL A 99 3.841 7.650 4.979 1.00 0.00 H new ATOM 0 HA VAL A 99 5.099 5.171 3.941 1.00 0.00 H new ATOM 0 HB VAL A 99 5.158 7.840 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.293 6.478 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.198 6.415 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.177 5.041 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.891 6.770 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.687 5.310 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.940 6.844 2.234 1.00 0.00 H new ATOM 1415 N TYR A 100 7.166 5.839 5.091 1.00 0.00 N ATOM 1416 CA TYR A 100 8.386 6.028 5.852 1.00 0.00 C ATOM 1417 C TYR A 100 9.587 5.671 4.981 1.00 0.00 C ATOM 1418 O TYR A 100 9.453 4.973 3.977 1.00 0.00 O ATOM 1419 CB TYR A 100 8.350 5.142 7.100 1.00 0.00 C ATOM 1420 CG TYR A 100 7.267 5.507 8.088 1.00 0.00 C ATOM 1421 CD1 TYR A 100 5.990 4.935 7.954 1.00 0.00 C ATOM 1422 CD2 TYR A 100 7.527 6.416 9.131 1.00 0.00 C ATOM 1423 CE1 TYR A 100 4.959 5.292 8.836 1.00 0.00 C ATOM 1424 CE2 TYR A 100 6.493 6.793 10.004 1.00 0.00 C ATOM 1425 CZ TYR A 100 5.200 6.254 9.839 1.00 0.00 C ATOM 1426 OH TYR A 100 4.177 6.695 10.616 1.00 0.00 O ATOM 0 H TYR A 100 7.073 4.879 4.758 1.00 0.00 H new ATOM 0 HA TYR A 100 8.472 7.070 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.211 4.106 6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.317 5.199 7.600 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.802 4.218 7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.519 6.823 9.260 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.986 4.833 8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.688 7.495 10.801 1.00 0.00 H new ATOM 0 HH TYR A 100 4.177 7.675 10.631 1.00 0.00 H new ATOM 1436 N LYS A 101 10.759 6.158 5.382 1.00 0.00 N ATOM 1437 CA LYS A 101 12.031 6.095 4.674 1.00 0.00 C ATOM 1438 C LYS A 101 12.978 5.164 5.434 1.00 0.00 C ATOM 1439 O LYS A 101 12.559 4.411 6.312 1.00 0.00 O ATOM 1440 CB LYS A 101 12.566 7.540 4.518 1.00 0.00 C ATOM 1441 CG LYS A 101 13.396 7.710 3.234 1.00 0.00 C ATOM 1442 CD LYS A 101 13.460 9.154 2.711 1.00 0.00 C ATOM 1443 CE LYS A 101 14.807 9.872 2.878 1.00 0.00 C ATOM 1444 NZ LYS A 101 15.084 10.326 4.261 1.00 0.00 N ATOM 0 H LYS A 101 10.849 6.642 6.276 1.00 0.00 H new ATOM 0 HA LYS A 101 11.927 5.677 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.728 8.237 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.179 7.795 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.410 7.358 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.976 7.072 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.203 9.147 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.694 9.738 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.606 9.201 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.832 10.735 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.009 10.800 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.344 10.991 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.094 9.506 4.900 1.00 0.00 H new ATOM 1458 N ASN A 102 14.279 5.278 5.170 1.00 0.00 N ATOM 1459 CA ASN A 102 15.380 4.771 5.992 1.00 0.00 C ATOM 1460 C ASN A 102 15.438 5.423 7.392 1.00 0.00 C ATOM 1461 O ASN A 102 16.500 5.417 8.012 1.00 0.00 O ATOM 1462 CB ASN A 102 16.723 4.940 5.247 1.00 0.00 C ATOM 1463 CG ASN A 102 17.155 6.389 5.045 1.00 0.00 C ATOM 1464 OD1 ASN A 102 16.909 6.961 3.877 1.00 0.00 O flip ATOM 1465 ND2 ASN A 102 17.683 7.042 5.934 1.00 0.00 N flip ATOM 0 H ASN A 102 14.613 5.752 4.331 1.00 0.00 H new ATOM 0 HA ASN A 102 15.193 3.710 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 102 17.501 4.416 5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 102 16.647 4.457 4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 102 17.877 6.610 6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 102 17.930 8.018 5.772 1.00 0.00 H new ATOM 1472 N GLY A 103 14.356 6.015 7.915 1.00 0.00 N ATOM 1473 CA GLY A 103 14.325 6.613 9.247 1.00 0.00 C ATOM 1474 C GLY A 103 13.699 8.004 9.281 1.00 0.00 C ATOM 1475 O GLY A 103 14.276 8.906 9.897 1.00 0.00 O ATOM 0 H GLY A 103 13.470 6.091 7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.769 5.957 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.343 6.673 9.632 1.00 0.00 H new ATOM 1479 N LYS A 104 12.547 8.195 8.632 1.00 0.00 N ATOM 1480 CA LYS A 104 11.610 9.295 8.859 1.00 0.00 C ATOM 1481 C LYS A 104 10.326 9.004 8.088 1.00 0.00 C ATOM 1482 O LYS A 104 10.367 8.326 7.065 1.00 0.00 O ATOM 1483 CB LYS A 104 12.205 10.639 8.395 1.00 0.00 C ATOM 1484 CG LYS A 104 12.389 11.628 9.560 1.00 0.00 C ATOM 1485 CD LYS A 104 11.061 12.133 10.145 1.00 0.00 C ATOM 1486 CE LYS A 104 10.273 13.037 9.187 1.00 0.00 C ATOM 1487 NZ LYS A 104 10.809 14.407 9.147 1.00 0.00 N ATOM 0 H LYS A 104 12.229 7.558 7.902 1.00 0.00 H new ATOM 0 HA LYS A 104 11.405 9.374 9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.168 10.462 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.552 11.083 7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.965 11.145 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.973 12.481 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.443 11.276 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.264 12.681 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.298 12.610 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.228 13.067 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.246 14.981 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.762 14.826 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.798 14.383 8.828 1.00 0.00 H new ATOM 1501 N GLU A 105 9.206 9.562 8.531 1.00 0.00 N ATOM 1502 CA GLU A 105 7.965 9.645 7.766 1.00 0.00 C ATOM 1503 C GLU A 105 8.150 10.691 6.663 1.00 0.00 C ATOM 1504 O GLU A 105 8.836 11.691 6.881 1.00 0.00 O ATOM 1505 CB GLU A 105 6.855 10.066 8.739 1.00 0.00 C ATOM 1506 CG GLU A 105 5.436 9.880 8.195 1.00 0.00 C ATOM 1507 CD GLU A 105 4.416 10.221 9.287 1.00 0.00 C ATOM 1508 OE1 GLU A 105 4.164 11.433 9.498 1.00 0.00 O ATOM 1509 OE2 GLU A 105 3.943 9.297 9.987 1.00 0.00 O ATOM 0 H GLU A 105 9.133 9.981 9.458 1.00 0.00 H new ATOM 0 HA GLU A 105 7.703 8.693 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.957 9.491 9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.996 11.114 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.282 10.521 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.296 8.852 7.861 1.00 0.00 H new ATOM 1516 N ILE A 106 7.523 10.507 5.500 1.00 0.00 N ATOM 1517 CA ILE A 106 7.454 11.517 4.453 1.00 0.00 C ATOM 1518 C ILE A 106 6.010 11.771 4.008 1.00 0.00 C ATOM 1519 O ILE A 106 5.697 12.920 3.687 1.00 0.00 O ATOM 1520 CB ILE A 106 8.373 11.147 3.272 1.00 0.00 C ATOM 1521 CG1 ILE A 106 8.193 9.685 2.796 1.00 0.00 C ATOM 1522 CG2 ILE A 106 9.838 11.514 3.581 1.00 0.00 C ATOM 1523 CD1 ILE A 106 9.180 8.655 3.352 1.00 0.00 C ATOM 0 H ILE A 106 7.044 9.639 5.260 1.00 0.00 H new ATOM 0 HA ILE A 106 7.820 12.457 4.866 1.00 0.00 H new ATOM 0 HB ILE A 106 8.065 11.751 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.184 9.364 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.262 9.670 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.467 11.244 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.914 12.586 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.170 10.972 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.948 7.671 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 106 10.195 8.935 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 106 9.100 8.624 4.439 1.00 0.00 H new ATOM 1535 N GLU A 107 5.100 10.792 4.071 1.00 0.00 N ATOM 1536 CA GLU A 107 3.693 11.011 3.727 1.00 0.00 C ATOM 1537 C GLU A 107 2.816 10.434 4.818 1.00 0.00 C ATOM 1538 O GLU A 107 3.178 9.442 5.446 1.00 0.00 O ATOM 1539 CB GLU A 107 3.344 10.422 2.349 1.00 0.00 C ATOM 1540 CG GLU A 107 1.957 10.829 1.827 1.00 0.00 C ATOM 1541 CD GLU A 107 1.757 12.345 1.887 1.00 0.00 C ATOM 1542 OE1 GLU A 107 2.410 13.085 1.118 1.00 0.00 O ATOM 1543 OE2 GLU A 107 1.031 12.798 2.800 1.00 0.00 O ATOM 0 H GLU A 107 5.316 9.837 4.358 1.00 0.00 H new ATOM 0 HA GLU A 107 3.512 12.084 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.099 10.738 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.394 9.335 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.839 10.486 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.186 10.336 2.418 1.00 0.00 H new ATOM 1550 N LYS A 108 1.677 11.083 5.034 1.00 0.00 N ATOM 1551 CA LYS A 108 0.818 10.959 6.197 1.00 0.00 C ATOM 1552 C LYS A 108 -0.591 11.212 5.690 1.00 0.00 C ATOM 1553 O LYS A 108 -1.007 12.365 5.584 1.00 0.00 O ATOM 1554 CB LYS A 108 1.244 11.956 7.305 1.00 0.00 C ATOM 1555 CG LYS A 108 1.969 13.218 6.785 1.00 0.00 C ATOM 1556 CD LYS A 108 2.081 14.354 7.810 1.00 0.00 C ATOM 1557 CE LYS A 108 0.823 15.232 7.895 1.00 0.00 C ATOM 1558 NZ LYS A 108 0.524 15.923 6.622 1.00 0.00 N ATOM 0 H LYS A 108 1.310 11.751 4.356 1.00 0.00 H new ATOM 0 HA LYS A 108 0.885 9.974 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.358 12.264 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.898 11.441 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.971 12.938 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.441 13.589 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.283 13.927 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.935 14.981 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.029 14.613 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.954 15.973 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.111 16.726 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.409 16.270 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.064 15.259 5.966 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.298 10.159 5.288 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.556 10.266 4.560 1.00 0.00 C ATOM 1574 C LYS A 109 -3.643 9.432 5.195 1.00 0.00 C ATOM 1575 O LYS A 109 -3.434 8.599 6.082 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.344 9.877 3.083 1.00 0.00 C ATOM 1577 CG LYS A 109 -2.191 11.142 2.241 1.00 0.00 C ATOM 1578 CD LYS A 109 -2.388 10.880 0.747 1.00 0.00 C ATOM 1579 CE LYS A 109 -3.807 10.493 0.304 1.00 0.00 C ATOM 1580 NZ LYS A 109 -4.842 11.448 0.755 1.00 0.00 N ATOM 0 H LYS A 109 -1.008 9.196 5.462 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.888 11.303 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.457 9.252 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.189 9.289 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.915 11.886 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.200 11.566 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.092 11.776 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.707 10.084 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.835 10.425 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.043 9.502 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.388 11.027 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.387 12.323 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.481 11.667 -0.036 1.00 0.00 H new ATOM 1594 N SER A 110 -4.823 9.664 4.653 1.00 0.00 N ATOM 1595 CA SER A 110 -5.986 8.828 4.752 1.00 0.00 C ATOM 1596 C SER A 110 -6.736 9.024 3.433 1.00 0.00 C ATOM 1597 O SER A 110 -6.411 9.957 2.679 1.00 0.00 O ATOM 1598 CB SER A 110 -6.783 9.229 5.998 1.00 0.00 C ATOM 1599 OG SER A 110 -7.753 8.265 6.357 1.00 0.00 O ATOM 0 H SER A 110 -4.998 10.500 4.096 1.00 0.00 H new ATOM 0 HA SER A 110 -5.768 7.768 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.097 9.376 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.275 10.185 5.818 1.00 0.00 H new ATOM 0 HG SER A 110 -8.233 8.566 7.157 1.00 0.00 H new ATOM 1605 N LEU A 111 -7.694 8.146 3.147 1.00 0.00 N ATOM 1606 CA LEU A 111 -8.691 8.254 2.095 1.00 0.00 C ATOM 1607 C LEU A 111 -9.992 7.653 2.614 1.00 0.00 C ATOM 1608 O LEU A 111 -9.979 6.793 3.503 1.00 0.00 O ATOM 1609 CB LEU A 111 -8.279 7.427 0.874 1.00 0.00 C ATOM 1610 CG LEU A 111 -6.973 7.862 0.200 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -6.655 6.827 -0.864 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -7.037 9.253 -0.428 1.00 0.00 C ATOM 0 H LEU A 111 -7.798 7.284 3.682 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.797 9.303 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.183 6.385 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.081 7.472 0.138 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.197 7.924 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.729 7.099 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.539 5.849 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.468 6.789 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.076 9.490 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.816 9.273 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.264 9.990 0.342 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.098 8.011 1.970 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.440 7.561 2.289 1.00 0.00 C ATOM 1626 C VAL A 112 -13.063 6.982 1.021 1.00 0.00 C ATOM 1627 O VAL A 112 -13.150 7.661 -0.009 1.00 0.00 O ATOM 1628 CB VAL A 112 -13.226 8.713 2.955 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -13.213 10.037 2.172 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -14.678 8.318 3.243 1.00 0.00 C ATOM 0 H VAL A 112 -11.078 8.652 1.177 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.450 6.757 3.025 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.691 8.890 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.789 10.786 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -12.185 10.382 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.655 9.882 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -15.197 9.155 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.177 8.059 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -14.695 7.459 3.914 1.00 0.00 H new ATOM 1640 N PHE A 113 -13.496 5.725 1.087 1.00 0.00 N ATOM 1641 CA PHE A 113 -14.200 5.053 0.004 1.00 0.00 C ATOM 1642 C PHE A 113 -15.630 4.831 0.457 1.00 0.00 C ATOM 1643 O PHE A 113 -15.871 4.666 1.656 1.00 0.00 O ATOM 1644 CB PHE A 113 -13.519 3.732 -0.342 1.00 0.00 C ATOM 1645 CG PHE A 113 -12.113 3.916 -0.867 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -11.918 4.329 -2.199 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -11.006 3.713 -0.023 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -10.617 4.475 -2.703 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -9.708 3.909 -0.522 1.00 0.00 C ATOM 1650 CZ PHE A 113 -9.507 4.272 -1.864 1.00 0.00 C ATOM 0 H PHE A 113 -13.364 5.137 1.910 1.00 0.00 H new ATOM 0 HA PHE A 113 -14.185 5.663 -0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -13.490 3.100 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -14.115 3.206 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -12.769 4.533 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.153 3.408 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.468 4.744 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -8.858 3.780 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 113 -8.506 4.394 -2.249 1.00 0.00 H new ATOM 1660 N ARG A 114 -16.577 4.870 -0.480 1.00 0.00 N ATOM 1661 CA ARG A 114 -17.989 4.740 -0.152 1.00 0.00 C ATOM 1662 C ARG A 114 -18.715 3.908 -1.197 1.00 0.00 C ATOM 1663 O ARG A 114 -18.195 3.657 -2.289 1.00 0.00 O ATOM 1664 CB ARG A 114 -18.637 6.127 0.026 1.00 0.00 C ATOM 1665 CG ARG A 114 -17.981 7.010 1.107 1.00 0.00 C ATOM 1666 CD ARG A 114 -18.826 8.222 1.524 1.00 0.00 C ATOM 1667 NE ARG A 114 -18.729 9.328 0.559 1.00 0.00 N ATOM 1668 CZ ARG A 114 -19.429 9.477 -0.568 1.00 0.00 C ATOM 1669 NH1 ARG A 114 -20.424 8.650 -0.856 1.00 0.00 N ATOM 1670 NH2 ARG A 114 -19.139 10.469 -1.397 1.00 0.00 N ATOM 0 H ARG A 114 -16.387 4.991 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 114 -18.075 4.213 0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -18.600 6.655 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -19.689 5.992 0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -17.781 6.399 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -17.018 7.362 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -19.868 7.919 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -18.501 8.569 2.505 1.00 0.00 H new ATOM 0 HE ARG A 114 -18.053 10.061 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -20.660 7.893 -0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -20.954 8.771 -1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -18.383 11.116 -1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -19.672 10.586 -2.259 1.00 0.00 H new ATOM 1684 N ASP A 115 -19.928 3.504 -0.849 1.00 0.00 N ATOM 1685 CA ASP A 115 -20.843 2.754 -1.693 1.00 0.00 C ATOM 1686 C ASP A 115 -21.300 3.569 -2.902 1.00 0.00 C ATOM 1687 O ASP A 115 -21.088 4.787 -2.997 1.00 0.00 O ATOM 1688 CB ASP A 115 -22.065 2.332 -0.861 1.00 0.00 C ATOM 1689 CG ASP A 115 -22.979 3.521 -0.562 1.00 0.00 C ATOM 1690 OD1 ASP A 115 -22.603 4.381 0.271 1.00 0.00 O ATOM 1691 OD2 ASP A 115 -24.082 3.632 -1.147 1.00 0.00 O ATOM 0 H ASP A 115 -20.318 3.700 0.073 1.00 0.00 H new ATOM 0 HA ASP A 115 -20.317 1.876 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -22.626 1.567 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -21.732 1.884 0.075 1.00 0.00 H new ATOM 1696 N GLY A 116 -21.963 2.872 -3.817 1.00 0.00 N ATOM 1697 CA GLY A 116 -22.587 3.407 -5.003 1.00 0.00 C ATOM 1698 C GLY A 116 -22.591 2.338 -6.073 1.00 0.00 C ATOM 1699 O GLY A 116 -23.643 1.752 -6.315 1.00 0.00 O ATOM 0 H GLY A 116 -22.081 1.862 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -23.606 3.725 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -22.046 4.287 -5.350 1.00 0.00 H new ATOM 1703 N LYS A 117 -21.447 2.127 -6.728 1.00 0.00 N ATOM 1704 CA LYS A 117 -21.220 1.194 -7.826 1.00 0.00 C ATOM 1705 C LYS A 117 -19.727 1.119 -8.151 1.00 0.00 C ATOM 1706 O LYS A 117 -18.941 1.948 -7.678 1.00 0.00 O ATOM 1707 CB LYS A 117 -21.991 1.661 -9.078 1.00 0.00 C ATOM 1708 CG LYS A 117 -23.264 0.858 -9.363 1.00 0.00 C ATOM 1709 CD LYS A 117 -22.960 -0.618 -9.668 1.00 0.00 C ATOM 1710 CE LYS A 117 -24.190 -1.331 -10.235 1.00 0.00 C ATOM 1711 NZ LYS A 117 -23.891 -2.742 -10.543 1.00 0.00 N ATOM 0 H LYS A 117 -20.599 2.640 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 117 -21.574 0.208 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -22.256 2.711 -8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.331 1.596 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -23.931 0.920 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -23.790 1.302 -10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -22.138 -0.683 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -22.633 -1.120 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -25.008 -1.278 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -24.525 -0.822 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -24.742 -3.202 -10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -23.126 -2.789 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -23.594 -3.231 -9.675 1.00 0.00 H new ATOM 1725 N GLU A 118 -19.365 0.174 -9.021 1.00 0.00 N ATOM 1726 CA GLU A 118 -18.086 0.064 -9.699 1.00 0.00 C ATOM 1727 C GLU A 118 -17.715 1.381 -10.370 1.00 0.00 C ATOM 1728 O GLU A 118 -18.567 2.051 -10.953 1.00 0.00 O ATOM 1729 CB GLU A 118 -18.143 -1.075 -10.739 1.00 0.00 C ATOM 1730 CG GLU A 118 -17.315 -2.277 -10.283 1.00 0.00 C ATOM 1731 CD GLU A 118 -17.171 -3.343 -11.367 1.00 0.00 C ATOM 1732 OE1 GLU A 118 -16.456 -3.083 -12.362 1.00 0.00 O ATOM 1733 OE2 GLU A 118 -17.720 -4.458 -11.194 1.00 0.00 O ATOM 0 H GLU A 118 -20.002 -0.579 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 118 -17.317 -0.166 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -19.178 -1.380 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -17.770 -0.715 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -16.325 -1.936 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -17.781 -2.721 -9.403 1.00 0.00 H new ATOM 1740 N ILE A 119 -16.437 1.735 -10.260 1.00 0.00 N ATOM 1741 CA ILE A 119 -15.783 2.900 -10.833 1.00 0.00 C ATOM 1742 C ILE A 119 -14.300 2.555 -10.998 1.00 0.00 C ATOM 1743 O ILE A 119 -13.837 1.475 -10.620 1.00 0.00 O ATOM 1744 CB ILE A 119 -15.988 4.175 -9.980 1.00 0.00 C ATOM 1745 CG1 ILE A 119 -15.724 3.964 -8.484 1.00 0.00 C ATOM 1746 CG2 ILE A 119 -17.400 4.750 -10.155 1.00 0.00 C ATOM 1747 CD1 ILE A 119 -14.285 3.636 -8.087 1.00 0.00 C ATOM 0 H ILE A 119 -15.782 1.166 -9.724 1.00 0.00 H new ATOM 0 HA ILE A 119 -16.229 3.134 -11.800 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.247 4.882 -10.354 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.028 4.866 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.367 3.157 -8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -17.507 5.644 -9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.561 5.007 -11.202 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -18.136 4.008 -9.846 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.226 3.510 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.973 2.714 -8.578 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.628 4.450 -8.394 1.00 0.00 H new ATOM 1759 N SER A 120 -13.540 3.527 -11.474 1.00 0.00 N ATOM 1760 CA SER A 120 -12.092 3.502 -11.592 1.00 0.00 C ATOM 1761 C SER A 120 -11.577 4.827 -11.044 1.00 0.00 C ATOM 1762 O SER A 120 -11.756 5.856 -11.698 1.00 0.00 O ATOM 1763 CB SER A 120 -11.673 3.229 -13.044 1.00 0.00 C ATOM 1764 OG SER A 120 -12.315 4.099 -13.968 1.00 0.00 O ATOM 0 H SER A 120 -13.940 4.404 -11.807 1.00 0.00 H new ATOM 0 HA SER A 120 -11.650 2.690 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.593 3.341 -13.134 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.908 2.196 -13.299 1.00 0.00 H new ATOM 0 HG SER A 120 -12.393 4.993 -13.575 1.00 0.00 H new ATOM 1770 N THR A 121 -11.031 4.818 -9.830 1.00 0.00 N ATOM 1771 CA THR A 121 -10.404 5.970 -9.205 1.00 0.00 C ATOM 1772 C THR A 121 -9.023 5.547 -8.752 1.00 0.00 C ATOM 1773 O THR A 121 -8.883 4.672 -7.890 1.00 0.00 O ATOM 1774 CB THR A 121 -11.270 6.557 -8.071 1.00 0.00 C ATOM 1775 OG1 THR A 121 -11.687 5.559 -7.157 1.00 0.00 O ATOM 1776 CG2 THR A 121 -12.519 7.261 -8.611 1.00 0.00 C ATOM 0 H THR A 121 -11.014 3.985 -9.242 1.00 0.00 H new ATOM 0 HA THR A 121 -10.309 6.788 -9.919 1.00 0.00 H new ATOM 0 HB THR A 121 -10.636 7.281 -7.560 1.00 0.00 H new ATOM 0 HG1 THR A 121 -10.969 4.902 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 121 -13.100 7.660 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 121 -12.221 8.077 -9.269 1.00 0.00 H new ATOM 0 HG23 THR A 121 -13.126 6.548 -9.169 1.00 0.00 H new ATOM 1784 N ASP A 122 -8.010 6.196 -9.322 1.00 0.00 N ATOM 1785 CA ASP A 122 -6.672 6.300 -8.760 1.00 0.00 C ATOM 1786 C ASP A 122 -6.811 7.219 -7.540 1.00 0.00 C ATOM 1787 O ASP A 122 -6.409 8.381 -7.579 1.00 0.00 O ATOM 1788 CB ASP A 122 -5.669 6.904 -9.764 1.00 0.00 C ATOM 1789 CG ASP A 122 -5.439 6.128 -11.057 1.00 0.00 C ATOM 1790 OD1 ASP A 122 -6.409 5.874 -11.808 1.00 0.00 O ATOM 1791 OD2 ASP A 122 -4.258 5.933 -11.423 1.00 0.00 O ATOM 0 H ASP A 122 -8.104 6.678 -10.216 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.286 5.314 -8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.011 7.906 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.709 7.016 -9.260 1.00 0.00 H new ATOM 1796 N ASP A 123 -7.529 6.768 -6.512 1.00 0.00 N ATOM 1797 CA ASP A 123 -7.787 7.559 -5.303 1.00 0.00 C ATOM 1798 C ASP A 123 -6.531 7.686 -4.438 1.00 0.00 C ATOM 1799 O ASP A 123 -6.347 8.688 -3.748 1.00 0.00 O ATOM 1800 CB ASP A 123 -8.933 6.949 -4.493 1.00 0.00 C ATOM 1801 CG ASP A 123 -9.524 7.966 -3.506 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -9.776 9.124 -3.921 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -9.802 7.613 -2.346 1.00 0.00 O ATOM 0 H ASP A 123 -7.951 5.840 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.077 8.561 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.713 6.600 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.571 6.078 -3.947 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.640 6.692 -4.510 1.00 0.00 N ATOM 1809 CA LEU A 124 -4.273 6.754 -4.018 1.00 0.00 C ATOM 1810 C LEU A 124 -3.374 6.739 -5.249 1.00 0.00 C ATOM 1811 O LEU A 124 -3.571 5.900 -6.128 1.00 0.00 O ATOM 1812 CB LEU A 124 -3.993 5.552 -3.100 1.00 0.00 C ATOM 1813 CG LEU A 124 -2.766 5.706 -2.183 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -2.888 6.866 -1.185 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -2.594 4.413 -1.378 1.00 0.00 C ATOM 0 H LEU A 124 -5.867 5.790 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.092 7.652 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.872 5.375 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.856 4.665 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.914 5.916 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.988 6.915 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.008 7.803 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.755 6.705 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.728 4.505 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.487 4.237 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.445 3.576 -2.061 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.412 7.658 -5.320 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.605 7.965 -6.492 1.00 0.00 C ATOM 1829 C ASN A 125 -0.207 8.465 -6.082 1.00 0.00 C ATOM 1830 O ASN A 125 0.325 9.418 -6.656 1.00 0.00 O ATOM 1831 CB ASN A 125 -2.368 8.999 -7.343 1.00 0.00 C ATOM 1832 CG ASN A 125 -2.758 10.288 -6.620 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -3.933 10.577 -6.434 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -1.806 11.088 -6.162 1.00 0.00 N ATOM 0 H ASN A 125 -2.164 8.237 -4.517 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.443 7.066 -7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.754 9.258 -8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.274 8.530 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.054 11.939 -5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.825 10.853 -6.314 1.00 0.00 H new ATOM 1841 N LEU A 126 0.351 7.906 -5.011 1.00 0.00 N ATOM 1842 CA LEU A 126 1.578 8.383 -4.379 1.00 0.00 C ATOM 1843 C LEU A 126 2.818 7.825 -5.094 1.00 0.00 C ATOM 1844 O LEU A 126 2.766 6.742 -5.697 1.00 0.00 O ATOM 1845 CB LEU A 126 1.575 7.960 -2.899 1.00 0.00 C ATOM 1846 CG LEU A 126 0.439 8.510 -2.021 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.613 7.958 -0.599 1.00 0.00 C ATOM 1848 CD2 LEU A 126 0.423 10.041 -1.973 1.00 0.00 C ATOM 0 H LEU A 126 -0.047 7.089 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 126 1.617 9.470 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.539 6.871 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.524 8.265 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.509 8.192 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.185 8.338 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.570 6.869 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.577 8.274 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.398 10.377 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.367 10.402 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.289 10.435 -2.980 1.00 0.00 H new ATOM 1860 N TYR A 127 3.943 8.538 -4.981 1.00 0.00 N ATOM 1861 CA TYR A 127 5.282 8.119 -5.374 1.00 0.00 C ATOM 1862 C TYR A 127 6.366 8.957 -4.676 1.00 0.00 C ATOM 1863 O TYR A 127 6.124 10.096 -4.254 1.00 0.00 O ATOM 1864 CB TYR A 127 5.434 8.157 -6.905 1.00 0.00 C ATOM 1865 CG TYR A 127 4.588 9.161 -7.678 1.00 0.00 C ATOM 1866 CD1 TYR A 127 4.652 10.544 -7.410 1.00 0.00 C ATOM 1867 CD2 TYR A 127 3.695 8.688 -8.660 1.00 0.00 C ATOM 1868 CE1 TYR A 127 3.796 11.434 -8.085 1.00 0.00 C ATOM 1869 CE2 TYR A 127 2.840 9.571 -9.339 1.00 0.00 C ATOM 1870 CZ TYR A 127 2.871 10.950 -9.039 1.00 0.00 C ATOM 1871 OH TYR A 127 2.020 11.813 -9.661 1.00 0.00 O ATOM 0 H TYR A 127 3.937 9.479 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 127 5.421 7.088 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 127 6.481 8.356 -7.133 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.208 7.162 -7.289 1.00 0.00 H new ATOM 0 HD1 TYR A 127 5.359 10.921 -6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.668 7.634 -8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 127 3.846 12.492 -7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 127 2.160 9.196 -10.089 1.00 0.00 H new ATOM 0 HH TYR A 127 1.452 11.318 -10.287 1.00 0.00 H new ATOM 1881 N TYR A 128 7.568 8.388 -4.571 1.00 0.00 N ATOM 1882 CA TYR A 128 8.769 8.964 -3.979 1.00 0.00 C ATOM 1883 C TYR A 128 10.007 8.377 -4.637 1.00 0.00 C ATOM 1884 O TYR A 128 9.965 7.264 -5.168 1.00 0.00 O ATOM 1885 CB TYR A 128 8.840 8.601 -2.486 1.00 0.00 C ATOM 1886 CG TYR A 128 8.059 9.537 -1.609 1.00 0.00 C ATOM 1887 CD1 TYR A 128 8.359 10.907 -1.631 1.00 0.00 C ATOM 1888 CD2 TYR A 128 7.019 9.054 -0.805 1.00 0.00 C ATOM 1889 CE1 TYR A 128 7.606 11.800 -0.865 1.00 0.00 C ATOM 1890 CE2 TYR A 128 6.250 9.944 -0.037 1.00 0.00 C ATOM 1891 CZ TYR A 128 6.551 11.329 -0.057 1.00 0.00 C ATOM 1892 OH TYR A 128 5.862 12.207 0.717 1.00 0.00 O ATOM 0 H TYR A 128 7.736 7.446 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 128 8.730 10.044 -4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.465 7.587 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.883 8.602 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.173 11.272 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.808 7.995 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.833 12.856 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.433 9.575 0.566 1.00 0.00 H new ATOM 0 HH TYR A 128 4.957 12.318 0.359 1.00 0.00 H new ATOM 1902 N ASN A 129 11.137 9.072 -4.501 1.00 0.00 N ATOM 1903 CA ASN A 129 12.454 8.501 -4.715 1.00 0.00 C ATOM 1904 C ASN A 129 13.490 9.248 -3.905 1.00 0.00 C ATOM 1905 O ASN A 129 13.437 10.490 -3.829 1.00 0.00 O ATOM 1906 CB ASN A 129 12.813 8.450 -6.197 1.00 0.00 C ATOM 1907 CG ASN A 129 12.704 9.764 -6.947 1.00 0.00 C ATOM 1908 OD1 ASN A 129 13.518 10.679 -6.825 1.00 0.00 O ATOM 1909 ND2 ASN A 129 11.680 9.882 -7.769 1.00 0.00 N ATOM 0 H ASN A 129 11.157 10.057 -4.236 1.00 0.00 H new ATOM 0 HA ASN A 129 12.438 7.468 -4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 129 13.835 8.083 -6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 129 12.166 7.720 -6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 129 11.557 10.737 -8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 129 11.011 9.118 -7.863 1.00 0.00 H new TER 1916 ASN A 129