USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 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 21 SER OG : rot -118:sc= 1.14 USER MOD Set 1.2: A 48 HIS : no HE2:sc= -1.45 K(o=0.28,f=-1.7) USER MOD Set 1.3: A 82 THR OG1 : rot 146:sc= 0.588 USER MOD Set 2.1: A 73 TYR OH : rot 57:sc= 2.38 USER MOD Set 2.2: A 115 TYR OH : rot -178:sc= 1.13 USER MOD Set 3.1: A 11 GLN : amide:sc= -4.41! C(o=-10!,f=-18!) USER MOD Set 3.2: A 30 MET CE :methyl -100:sc= -2.88 (180deg=-4.05!) USER MOD Set 3.3: A 35 MET CE :methyl -112:sc= -3.33! (180deg=-1.77!) USER MOD Set 3.4: A 41 LYS NZ :NH3+ 180:sc= 0.394 (180deg=0.394) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -9.54! C(o=-9.5!,f=-13!) USER MOD Single : A 12 HIS : no HD1:sc= -9.98! C(o=-10!,f=-8.6!) USER MOD Single : A 13 MET CE :methyl 165:sc= -3.35 (180deg=-5.17!) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00728 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -57:sc= 0.217 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 25 TYR OH : rot 141:sc= 1.25 USER MOD Single : A 27 ASN : amide:sc= -6.55! C(o=-6.5!,f=-9!) USER MOD Single : A 28 GLN : amide:sc= -3.59 K(o=-3.6,f=-0.85) USER MOD Single : A 29 MET CE :methyl 171:sc= -0.753 (180deg=-1.1) USER MOD Single : A 34 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.4!) USER MOD Single : A 36 THR OG1 : rot 86:sc= -2.9 USER MOD Single : A 37 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 44 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.7) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -6.8! C(o=-6.8!,f=-5!) USER MOD Single : A 56 ASN : amide:sc= -0.0625 K(o=-0.062,f=-0.79) USER MOD Single : A 60 GLN : amide:sc= -3.04! K(o=-3!,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.99) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -5.69! C(o=-5.7!,f=-2.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 114:sc= 0.366 USER MOD Single : A 76 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -105:sc= -1.5 (180deg=-3.02) USER MOD Single : A 80 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-4.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.6) USER MOD Single : A 90 SER OG : rot 89:sc= -0.0152 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.9) USER MOD Single : A 97 TYR OH : rot 40:sc= -0.35 USER MOD Single : A 99 THR OG1 : rot 126:sc= 0.666 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -0.0763 K(o=-0.076,f=-3.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-4!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0207 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.015 -0.772 -7.266 1.00 71.35 N ATOM 50 CA ARG A 4 -6.228 -1.252 -7.917 1.00 54.23 C ATOM 51 C ARG A 4 -5.894 -2.019 -9.193 1.00 52.33 C ATOM 52 O ARG A 4 -6.129 -3.223 -9.285 1.00 22.32 O ATOM 53 CB ARG A 4 -7.156 -0.079 -8.242 1.00 63.23 C ATOM 54 CG ARG A 4 -8.336 -0.461 -9.121 1.00 23.42 C ATOM 55 CD ARG A 4 -9.600 -0.660 -8.300 1.00 12.31 C ATOM 56 NE ARG A 4 -10.236 0.610 -7.959 1.00 13.00 N ATOM 57 CZ ARG A 4 -11.529 0.733 -7.680 1.00 32.30 C ATOM 58 NH1 ARG A 4 -12.319 -0.332 -7.701 1.00 13.21 N ATOM 59 NH2 ARG A 4 -12.034 1.922 -7.379 1.00 12.33 N ATOM 0 HA ARG A 4 -6.736 -1.929 -7.230 1.00 54.23 H new ATOM 0 HB2 ARG A 4 -7.530 0.346 -7.311 1.00 63.23 H new ATOM 0 HB3 ARG A 4 -6.581 0.701 -8.740 1.00 63.23 H new ATOM 0 HG2 ARG A 4 -8.503 0.317 -9.866 1.00 23.42 H new ATOM 0 HG3 ARG A 4 -8.105 -1.378 -9.664 1.00 23.42 H new ATOM 0 HD2 ARG A 4 -10.302 -1.278 -8.859 1.00 12.31 H new ATOM 0 HD3 ARG A 4 -9.357 -1.201 -7.385 1.00 12.31 H new ATOM 0 HE ARG A 4 -9.656 1.448 -7.934 1.00 13.00 H new ATOM 0 HH11 ARG A 4 -11.934 -1.248 -7.932 1.00 13.21 H new ATOM 0 HH12 ARG A 4 -13.311 -0.235 -7.486 1.00 13.21 H new ATOM 0 HH21 ARG A 4 -11.429 2.743 -7.362 1.00 12.33 H new ATOM 0 HH22 ARG A 4 -13.027 2.015 -7.165 1.00 12.33 H new ATOM 73 N ALA A 5 -5.346 -1.312 -10.176 1.00 5.21 N ATOM 74 CA ALA A 5 -4.978 -1.926 -11.446 1.00 1.13 C ATOM 75 C ALA A 5 -4.085 -3.143 -11.229 1.00 32.02 C ATOM 76 O ALA A 5 -4.099 -4.086 -12.021 1.00 14.33 O ATOM 77 CB ALA A 5 -4.282 -0.911 -12.341 1.00 21.32 C ATOM 0 H ALA A 5 -5.147 -0.313 -10.117 1.00 5.21 H new ATOM 0 HA ALA A 5 -5.891 -2.261 -11.937 1.00 1.13 H new ATOM 0 HB1 ALA A 5 -4.013 -1.383 -13.286 1.00 21.32 H new ATOM 0 HB2 ALA A 5 -4.953 -0.074 -12.532 1.00 21.32 H new ATOM 0 HB3 ALA A 5 -3.381 -0.548 -11.847 1.00 21.32 H new ATOM 83 N LYS A 6 -3.308 -3.116 -10.151 1.00 72.53 N ATOM 84 CA LYS A 6 -2.408 -4.218 -9.829 1.00 15.31 C ATOM 85 C LYS A 6 -3.179 -5.526 -9.685 1.00 54.05 C ATOM 86 O LYS A 6 -2.790 -6.553 -10.242 1.00 42.43 O ATOM 87 CB LYS A 6 -1.646 -3.918 -8.536 1.00 63.44 C ATOM 88 CG LYS A 6 -0.309 -3.235 -8.764 1.00 4.44 C ATOM 89 CD LYS A 6 0.694 -3.596 -7.680 1.00 73.03 C ATOM 90 CE LYS A 6 2.114 -3.632 -8.224 1.00 73.03 C ATOM 91 NZ LYS A 6 2.575 -5.025 -8.479 1.00 52.23 N ATOM 0 H LYS A 6 -3.283 -2.343 -9.486 1.00 72.53 H new ATOM 0 HA LYS A 6 -1.696 -4.325 -10.648 1.00 15.31 H new ATOM 0 HB2 LYS A 6 -2.264 -3.286 -7.898 1.00 63.44 H new ATOM 0 HB3 LYS A 6 -1.481 -4.851 -7.996 1.00 63.44 H new ATOM 0 HG2 LYS A 6 0.087 -3.524 -9.738 1.00 4.44 H new ATOM 0 HG3 LYS A 6 -0.450 -2.154 -8.785 1.00 4.44 H new ATOM 0 HD2 LYS A 6 0.632 -2.870 -6.869 1.00 73.03 H new ATOM 0 HD3 LYS A 6 0.440 -4.568 -7.257 1.00 73.03 H new ATOM 0 HE2 LYS A 6 2.163 -3.058 -9.149 1.00 73.03 H new ATOM 0 HE3 LYS A 6 2.787 -3.151 -7.514 1.00 73.03 H new ATOM 0 HZ1 LYS A 6 3.547 -5.007 -8.849 1.00 52.23 H new ATOM 0 HZ2 LYS A 6 2.553 -5.566 -7.591 1.00 52.23 H new ATOM 0 HZ3 LYS A 6 1.948 -5.476 -9.175 1.00 52.23 H new ATOM 105 N LYS A 7 -4.276 -5.482 -8.936 1.00 60.24 N ATOM 106 CA LYS A 7 -5.104 -6.663 -8.722 1.00 11.14 C ATOM 107 C LYS A 7 -5.584 -7.239 -10.050 1.00 35.55 C ATOM 108 O LYS A 7 -5.667 -8.457 -10.216 1.00 11.44 O ATOM 109 CB LYS A 7 -6.306 -6.315 -7.840 1.00 44.10 C ATOM 110 CG LYS A 7 -6.145 -6.749 -6.393 1.00 44.34 C ATOM 111 CD LYS A 7 -7.125 -6.029 -5.483 1.00 35.11 C ATOM 112 CE LYS A 7 -8.261 -6.945 -5.053 1.00 13.33 C ATOM 113 NZ LYS A 7 -8.220 -7.231 -3.592 1.00 12.21 N ATOM 0 H LYS A 7 -4.612 -4.641 -8.467 1.00 60.24 H new ATOM 0 HA LYS A 7 -4.497 -7.415 -8.218 1.00 11.14 H new ATOM 0 HB2 LYS A 7 -6.469 -5.238 -7.871 1.00 44.10 H new ATOM 0 HB3 LYS A 7 -7.198 -6.785 -8.254 1.00 44.10 H new ATOM 0 HG2 LYS A 7 -6.299 -7.825 -6.316 1.00 44.34 H new ATOM 0 HG3 LYS A 7 -5.126 -6.548 -6.063 1.00 44.34 H new ATOM 0 HD2 LYS A 7 -6.601 -5.659 -4.602 1.00 35.11 H new ATOM 0 HD3 LYS A 7 -7.532 -5.160 -6.000 1.00 35.11 H new ATOM 0 HE2 LYS A 7 -9.215 -6.483 -5.306 1.00 13.33 H new ATOM 0 HE3 LYS A 7 -8.203 -7.881 -5.608 1.00 13.33 H new ATOM 0 HZ1 LYS A 7 -9.010 -7.858 -3.339 1.00 12.21 H new ATOM 0 HZ2 LYS A 7 -7.320 -7.695 -3.354 1.00 12.21 H new ATOM 0 HZ3 LYS A 7 -8.301 -6.340 -3.061 1.00 12.21 H new ATOM 127 N PHE A 8 -5.899 -6.358 -10.993 1.00 22.00 N ATOM 128 CA PHE A 8 -6.371 -6.780 -12.307 1.00 5.12 C ATOM 129 C PHE A 8 -5.253 -7.459 -13.093 1.00 73.24 C ATOM 130 O PHE A 8 -5.500 -8.382 -13.870 1.00 0.33 O ATOM 131 CB PHE A 8 -6.904 -5.579 -13.090 1.00 40.15 C ATOM 132 CG PHE A 8 -7.368 -5.926 -14.476 1.00 44.54 C ATOM 133 CD1 PHE A 8 -8.641 -6.429 -14.690 1.00 1.14 C ATOM 134 CD2 PHE A 8 -6.531 -5.747 -15.566 1.00 64.51 C ATOM 135 CE1 PHE A 8 -9.070 -6.749 -15.964 1.00 24.32 C ATOM 136 CE2 PHE A 8 -6.954 -6.066 -16.843 1.00 10.22 C ATOM 137 CZ PHE A 8 -8.226 -6.566 -17.042 1.00 23.42 C ATOM 0 H PHE A 8 -5.836 -5.347 -10.872 1.00 22.00 H new ATOM 0 HA PHE A 8 -7.178 -7.498 -12.163 1.00 5.12 H new ATOM 0 HB2 PHE A 8 -7.733 -5.134 -12.539 1.00 40.15 H new ATOM 0 HB3 PHE A 8 -6.122 -4.822 -13.156 1.00 40.15 H new ATOM 0 HD1 PHE A 8 -9.306 -6.573 -13.851 1.00 1.14 H new ATOM 0 HD2 PHE A 8 -5.536 -5.354 -15.416 1.00 64.51 H new ATOM 0 HE1 PHE A 8 -10.064 -7.142 -16.117 1.00 24.32 H new ATOM 0 HE2 PHE A 8 -6.291 -5.924 -17.684 1.00 10.22 H new ATOM 0 HZ PHE A 8 -8.560 -6.813 -18.039 1.00 23.42 H new ATOM 147 N GLN A 9 -4.025 -6.995 -12.886 1.00 72.13 N ATOM 148 CA GLN A 9 -2.870 -7.557 -13.577 1.00 13.32 C ATOM 149 C GLN A 9 -2.688 -9.029 -13.223 1.00 63.04 C ATOM 150 O GLN A 9 -2.704 -9.894 -14.099 1.00 72.21 O ATOM 151 CB GLN A 9 -1.606 -6.774 -13.220 1.00 3.31 C ATOM 152 CG GLN A 9 -1.292 -5.649 -14.193 1.00 1.52 C ATOM 153 CD GLN A 9 -2.512 -5.188 -14.965 1.00 51.34 C ATOM 154 OE1 GLN A 9 -2.834 -5.732 -16.022 1.00 33.01 O ATOM 155 NE2 GLN A 9 -3.199 -4.179 -14.441 1.00 60.42 N ATOM 0 H GLN A 9 -3.804 -6.232 -12.246 1.00 72.13 H new ATOM 0 HA GLN A 9 -3.046 -7.479 -14.650 1.00 13.32 H new ATOM 0 HB2 GLN A 9 -1.718 -6.357 -12.219 1.00 3.31 H new ATOM 0 HB3 GLN A 9 -0.760 -7.461 -13.187 1.00 3.31 H new ATOM 0 HG2 GLN A 9 -0.874 -4.805 -13.644 1.00 1.52 H new ATOM 0 HG3 GLN A 9 -0.528 -5.983 -14.895 1.00 1.52 H new ATOM 0 HE21 GLN A 9 -2.896 -3.758 -13.563 1.00 60.42 H new ATOM 0 HE22 GLN A 9 -4.029 -3.826 -14.917 1.00 60.42 H new ATOM 164 N ARG A 10 -2.513 -9.306 -11.935 1.00 74.14 N ATOM 165 CA ARG A 10 -2.326 -10.674 -11.467 1.00 10.24 C ATOM 166 C ARG A 10 -3.659 -11.413 -11.400 1.00 12.04 C ATOM 167 O ARG A 10 -3.753 -12.491 -10.813 1.00 44.03 O ATOM 168 CB ARG A 10 -1.659 -10.677 -10.090 1.00 12.22 C ATOM 169 CG ARG A 10 -0.140 -10.666 -10.149 1.00 35.45 C ATOM 170 CD ARG A 10 0.472 -10.822 -8.765 1.00 74.12 C ATOM 171 NE ARG A 10 1.851 -11.296 -8.828 1.00 25.45 N ATOM 172 CZ ARG A 10 2.604 -11.510 -7.754 1.00 43.01 C ATOM 173 NH1 ARG A 10 2.113 -11.293 -6.542 1.00 1.11 N ATOM 174 NH2 ARG A 10 3.851 -11.942 -7.892 1.00 63.11 N ATOM 0 H ARG A 10 -2.497 -8.602 -11.197 1.00 74.14 H new ATOM 0 HA ARG A 10 -1.680 -11.190 -12.178 1.00 10.24 H new ATOM 0 HB2 ARG A 10 -1.999 -9.806 -9.529 1.00 12.22 H new ATOM 0 HB3 ARG A 10 -1.986 -11.559 -9.539 1.00 12.22 H new ATOM 0 HG2 ARG A 10 0.206 -11.473 -10.794 1.00 35.45 H new ATOM 0 HG3 ARG A 10 0.201 -9.732 -10.596 1.00 35.45 H new ATOM 0 HD2 ARG A 10 0.441 -9.865 -8.245 1.00 74.12 H new ATOM 0 HD3 ARG A 10 -0.126 -11.522 -8.181 1.00 74.12 H new ATOM 0 HE ARG A 10 2.259 -11.473 -9.746 1.00 25.45 H new ATOM 0 HH11 ARG A 10 1.155 -10.961 -6.432 1.00 1.11 H new ATOM 0 HH12 ARG A 10 2.693 -11.458 -5.720 1.00 1.11 H new ATOM 0 HH21 ARG A 10 4.232 -12.110 -8.823 1.00 63.11 H new ATOM 0 HH22 ARG A 10 4.428 -12.106 -7.067 1.00 63.11 H new ATOM 188 N GLN A 11 -4.687 -10.825 -12.003 1.00 61.14 N ATOM 189 CA GLN A 11 -6.015 -11.428 -12.011 1.00 3.33 C ATOM 190 C GLN A 11 -6.264 -12.179 -13.314 1.00 54.12 C ATOM 191 O GLN A 11 -6.477 -13.392 -13.313 1.00 11.11 O ATOM 192 CB GLN A 11 -7.086 -10.354 -11.814 1.00 32.04 C ATOM 193 CG GLN A 11 -7.616 -10.277 -10.391 1.00 33.31 C ATOM 194 CD GLN A 11 -8.546 -11.426 -10.052 1.00 12.41 C ATOM 195 OE1 GLN A 11 -8.357 -12.119 -9.052 1.00 4.30 O ATOM 196 NE2 GLN A 11 -9.559 -11.633 -10.885 1.00 72.21 N ATOM 0 H GLN A 11 -4.626 -9.932 -12.492 1.00 61.14 H new ATOM 0 HA GLN A 11 -6.069 -12.140 -11.187 1.00 3.33 H new ATOM 0 HB2 GLN A 11 -6.672 -9.385 -12.092 1.00 32.04 H new ATOM 0 HB3 GLN A 11 -7.916 -10.552 -12.492 1.00 32.04 H new ATOM 0 HG2 GLN A 11 -6.778 -10.276 -9.695 1.00 33.31 H new ATOM 0 HG3 GLN A 11 -8.145 -9.334 -10.255 1.00 33.31 H new ATOM 0 HE21 GLN A 11 -9.678 -11.034 -11.702 1.00 72.21 H new ATOM 0 HE22 GLN A 11 -10.218 -12.391 -10.708 1.00 72.21 H new ATOM 205 N HIS A 12 -6.238 -11.450 -14.426 1.00 24.52 N ATOM 206 CA HIS A 12 -6.461 -12.049 -15.737 1.00 50.53 C ATOM 207 C HIS A 12 -5.230 -11.888 -16.624 1.00 71.23 C ATOM 208 O HIS A 12 -4.938 -12.745 -17.458 1.00 74.01 O ATOM 209 CB HIS A 12 -7.676 -11.411 -16.411 1.00 74.25 C ATOM 210 CG HIS A 12 -8.698 -10.899 -15.444 1.00 32.04 C ATOM 211 ND1 HIS A 12 -9.920 -11.507 -15.247 1.00 71.22 N ATOM 212 CD2 HIS A 12 -8.674 -9.830 -14.613 1.00 63.34 C ATOM 213 CE1 HIS A 12 -10.604 -10.834 -14.339 1.00 43.33 C ATOM 214 NE2 HIS A 12 -9.869 -9.812 -13.938 1.00 54.43 N ATOM 0 H HIS A 12 -6.065 -10.445 -14.445 1.00 24.52 H new ATOM 0 HA HIS A 12 -6.649 -13.113 -15.596 1.00 50.53 H new ATOM 0 HB2 HIS A 12 -7.340 -10.588 -17.042 1.00 74.25 H new ATOM 0 HB3 HIS A 12 -8.144 -12.145 -17.067 1.00 74.25 H new ATOM 0 HD2 HIS A 12 -7.865 -9.123 -14.502 1.00 63.34 H new ATOM 0 HE1 HIS A 12 -11.595 -11.078 -13.985 1.00 43.33 H new ATOM 0 HE2 HIS A 12 -10.145 -9.121 -13.240 1.00 54.43 H new ATOM 222 N MET A 13 -4.513 -10.785 -16.439 1.00 4.12 N ATOM 223 CA MET A 13 -3.313 -10.513 -17.222 1.00 60.22 C ATOM 224 C MET A 13 -2.157 -11.401 -16.772 1.00 10.22 C ATOM 225 O MET A 13 -1.525 -11.141 -15.748 1.00 1.32 O ATOM 226 CB MET A 13 -2.919 -9.040 -17.097 1.00 71.22 C ATOM 227 CG MET A 13 -3.999 -8.080 -17.568 1.00 73.23 C ATOM 228 SD MET A 13 -4.568 -8.441 -19.241 1.00 45.21 S ATOM 229 CE MET A 13 -3.285 -7.653 -20.212 1.00 23.04 C ATOM 0 H MET A 13 -4.742 -10.065 -15.754 1.00 4.12 H new ATOM 0 HA MET A 13 -3.533 -10.735 -18.266 1.00 60.22 H new ATOM 0 HB2 MET A 13 -2.681 -8.823 -16.056 1.00 71.22 H new ATOM 0 HB3 MET A 13 -2.012 -8.865 -17.675 1.00 71.22 H new ATOM 0 HG2 MET A 13 -4.845 -8.127 -16.883 1.00 73.23 H new ATOM 0 HG3 MET A 13 -3.615 -7.061 -17.531 1.00 73.23 H new ATOM 0 HE1 MET A 13 -3.340 -8.005 -21.242 1.00 23.04 H new ATOM 0 HE2 MET A 13 -3.424 -6.572 -20.190 1.00 23.04 H new ATOM 0 HE3 MET A 13 -2.309 -7.901 -19.795 1.00 23.04 H new ATOM 239 N ASP A 14 -1.887 -12.449 -17.542 1.00 45.54 N ATOM 240 CA ASP A 14 -0.806 -13.374 -17.223 1.00 20.13 C ATOM 241 C ASP A 14 0.306 -13.292 -18.264 1.00 73.21 C ATOM 242 O ASP A 14 1.137 -14.194 -18.372 1.00 35.11 O ATOM 243 CB ASP A 14 -1.339 -14.805 -17.139 1.00 74.14 C ATOM 244 CG ASP A 14 -1.410 -15.476 -18.497 1.00 34.41 C ATOM 245 OD1 ASP A 14 -2.416 -15.271 -19.209 1.00 21.11 O ATOM 246 OD2 ASP A 14 -0.460 -16.206 -18.848 1.00 31.43 O ATOM 0 H ASP A 14 -2.402 -12.679 -18.392 1.00 45.54 H new ATOM 0 HA ASP A 14 -0.393 -13.091 -16.255 1.00 20.13 H new ATOM 0 HB2 ASP A 14 -0.698 -15.391 -16.480 1.00 74.14 H new ATOM 0 HB3 ASP A 14 -2.332 -14.794 -16.690 1.00 74.14 H new ATOM 251 N SER A 15 0.314 -12.206 -19.030 1.00 13.44 N ATOM 252 CA SER A 15 1.320 -12.008 -20.066 1.00 62.11 C ATOM 253 C SER A 15 2.656 -12.616 -19.649 1.00 72.32 C ATOM 254 O SER A 15 3.322 -13.282 -20.442 1.00 74.42 O ATOM 255 CB SER A 15 1.495 -10.517 -20.359 1.00 43.20 C ATOM 256 OG SER A 15 1.894 -9.812 -19.196 1.00 63.02 O ATOM 0 H SER A 15 -0.366 -11.449 -18.952 1.00 13.44 H new ATOM 0 HA SER A 15 0.978 -12.511 -20.971 1.00 62.11 H new ATOM 0 HB2 SER A 15 2.240 -10.382 -21.143 1.00 43.20 H new ATOM 0 HB3 SER A 15 0.559 -10.105 -20.735 1.00 43.20 H new ATOM 0 HG SER A 15 2.001 -8.862 -19.410 1.00 63.02 H new ATOM 262 N ASP A 16 3.041 -12.382 -18.400 1.00 31.03 N ATOM 263 CA ASP A 16 4.296 -12.907 -17.875 1.00 44.13 C ATOM 264 C ASP A 16 4.516 -14.346 -18.331 1.00 44.02 C ATOM 265 O ASP A 16 5.572 -14.684 -18.866 1.00 44.41 O ATOM 266 CB ASP A 16 4.305 -12.836 -16.348 1.00 2.25 C ATOM 267 CG ASP A 16 5.324 -13.773 -15.730 1.00 70.51 C ATOM 268 OD1 ASP A 16 4.997 -14.964 -15.541 1.00 61.11 O ATOM 269 OD2 ASP A 16 6.449 -13.317 -15.437 1.00 15.02 O ATOM 0 H ASP A 16 2.502 -11.832 -17.731 1.00 31.03 H new ATOM 0 HA ASP A 16 5.109 -12.293 -18.264 1.00 44.13 H new ATOM 0 HB2 ASP A 16 4.520 -11.814 -16.036 1.00 2.25 H new ATOM 0 HB3 ASP A 16 3.313 -13.083 -15.970 1.00 2.25 H new ATOM 274 N SER A 17 3.513 -15.190 -18.115 1.00 15.12 N ATOM 275 CA SER A 17 3.598 -16.594 -18.499 1.00 70.00 C ATOM 276 C SER A 17 3.670 -16.739 -20.016 1.00 51.41 C ATOM 277 O SER A 17 3.613 -15.751 -20.748 1.00 53.23 O ATOM 278 CB SER A 17 2.394 -17.367 -17.958 1.00 55.12 C ATOM 279 OG SER A 17 2.582 -17.719 -16.599 1.00 2.04 O ATOM 0 H SER A 17 2.631 -14.926 -17.676 1.00 15.12 H new ATOM 0 HA SER A 17 4.510 -17.008 -18.068 1.00 70.00 H new ATOM 0 HB2 SER A 17 1.494 -16.761 -18.059 1.00 55.12 H new ATOM 0 HB3 SER A 17 2.240 -18.268 -18.552 1.00 55.12 H new ATOM 0 HG SER A 17 1.798 -18.211 -16.277 1.00 2.04 H new ATOM 285 N SER A 18 3.796 -17.978 -20.481 1.00 13.42 N ATOM 286 CA SER A 18 3.880 -18.253 -21.910 1.00 54.04 C ATOM 287 C SER A 18 2.569 -18.836 -22.429 1.00 74.01 C ATOM 288 O SER A 18 1.806 -19.464 -21.695 1.00 75.42 O ATOM 289 CB SER A 18 5.030 -19.219 -22.198 1.00 60.44 C ATOM 290 OG SER A 18 6.121 -18.547 -22.803 1.00 24.32 O ATOM 0 H SER A 18 3.842 -18.807 -19.889 1.00 13.42 H new ATOM 0 HA SER A 18 4.068 -17.311 -22.426 1.00 54.04 H new ATOM 0 HB2 SER A 18 5.357 -19.687 -21.270 1.00 60.44 H new ATOM 0 HB3 SER A 18 4.683 -20.018 -22.853 1.00 60.44 H new ATOM 0 HG SER A 18 6.844 -19.186 -22.975 1.00 24.32 H new ATOM 296 N PRO A 19 2.300 -18.623 -23.726 1.00 34.42 N ATOM 297 CA PRO A 19 1.082 -19.119 -24.373 1.00 74.53 C ATOM 298 C PRO A 19 1.081 -20.637 -24.521 1.00 74.20 C ATOM 299 O PRO A 19 1.881 -21.332 -23.895 1.00 12.24 O ATOM 300 CB PRO A 19 1.113 -18.448 -25.749 1.00 35.43 C ATOM 301 CG PRO A 19 2.554 -18.173 -26.003 1.00 43.15 C ATOM 302 CD PRO A 19 3.164 -17.883 -24.660 1.00 1.20 C ATOM 0 HA PRO A 19 0.189 -18.890 -23.791 1.00 74.53 H new ATOM 0 HB2 PRO A 19 0.693 -19.098 -26.516 1.00 35.43 H new ATOM 0 HB3 PRO A 19 0.527 -17.529 -25.755 1.00 35.43 H new ATOM 0 HG2 PRO A 19 3.037 -19.029 -26.474 1.00 43.15 H new ATOM 0 HG3 PRO A 19 2.676 -17.326 -26.678 1.00 43.15 H new ATOM 0 HD2 PRO A 19 4.198 -18.223 -24.606 1.00 1.20 H new ATOM 0 HD3 PRO A 19 3.168 -16.815 -24.443 1.00 1.20 H new ATOM 310 N SER A 20 0.178 -21.146 -25.353 1.00 54.44 N ATOM 311 CA SER A 20 0.071 -22.582 -25.581 1.00 13.02 C ATOM 312 C SER A 20 -0.301 -23.310 -24.292 1.00 45.23 C ATOM 313 O SER A 20 0.316 -24.313 -23.933 1.00 4.50 O ATOM 314 CB SER A 20 1.389 -23.132 -26.129 1.00 75.43 C ATOM 315 OG SER A 20 1.233 -24.464 -26.588 1.00 64.12 O ATOM 0 H SER A 20 -0.490 -20.585 -25.881 1.00 54.44 H new ATOM 0 HA SER A 20 -0.718 -22.751 -26.314 1.00 13.02 H new ATOM 0 HB2 SER A 20 1.739 -22.501 -26.946 1.00 75.43 H new ATOM 0 HB3 SER A 20 2.152 -23.099 -25.351 1.00 75.43 H new ATOM 0 HG SER A 20 0.891 -25.023 -25.859 1.00 64.12 H new ATOM 321 N SER A 21 -1.313 -22.797 -23.601 1.00 13.30 N ATOM 322 CA SER A 21 -1.766 -23.394 -22.350 1.00 65.52 C ATOM 323 C SER A 21 -2.879 -24.406 -22.603 1.00 31.20 C ATOM 324 O SER A 21 -4.033 -24.035 -22.820 1.00 65.11 O ATOM 325 CB SER A 21 -2.255 -22.309 -21.390 1.00 34.25 C ATOM 326 OG SER A 21 -1.166 -21.621 -20.800 1.00 13.42 O ATOM 0 H SER A 21 -1.835 -21.969 -23.886 1.00 13.30 H new ATOM 0 HA SER A 21 -0.922 -23.915 -21.898 1.00 65.52 H new ATOM 0 HB2 SER A 21 -2.888 -21.602 -21.927 1.00 34.25 H new ATOM 0 HB3 SER A 21 -2.870 -22.759 -20.611 1.00 34.25 H new ATOM 0 HG SER A 21 -1.187 -21.747 -19.828 1.00 13.42 H new ATOM 332 N SER A 22 -2.525 -25.687 -22.573 1.00 45.11 N ATOM 333 CA SER A 22 -3.492 -26.754 -22.803 1.00 0.53 C ATOM 334 C SER A 22 -3.618 -27.647 -21.572 1.00 50.33 C ATOM 335 O SER A 22 -4.710 -28.101 -21.231 1.00 22.13 O ATOM 336 CB SER A 22 -3.081 -27.591 -24.015 1.00 71.31 C ATOM 337 OG SER A 22 -1.769 -28.103 -23.860 1.00 61.41 O ATOM 0 H SER A 22 -1.575 -26.011 -22.392 1.00 45.11 H new ATOM 0 HA SER A 22 -4.462 -26.296 -22.999 1.00 0.53 H new ATOM 0 HB2 SER A 22 -3.783 -28.414 -24.147 1.00 71.31 H new ATOM 0 HB3 SER A 22 -3.132 -26.981 -24.917 1.00 71.31 H new ATOM 0 HG SER A 22 -1.531 -28.636 -24.647 1.00 61.41 H new ATOM 343 N SER A 23 -2.492 -27.894 -20.911 1.00 31.15 N ATOM 344 CA SER A 23 -2.474 -28.736 -19.720 1.00 14.10 C ATOM 345 C SER A 23 -3.225 -28.069 -18.572 1.00 12.44 C ATOM 346 O SER A 23 -3.877 -27.040 -18.754 1.00 75.13 O ATOM 347 CB SER A 23 -1.033 -29.030 -19.299 1.00 73.42 C ATOM 348 OG SER A 23 -0.350 -29.765 -20.300 1.00 2.01 O ATOM 0 H SER A 23 -1.580 -27.523 -21.180 1.00 31.15 H new ATOM 0 HA SER A 23 -2.973 -29.675 -19.961 1.00 14.10 H new ATOM 0 HB2 SER A 23 -0.508 -28.094 -19.109 1.00 73.42 H new ATOM 0 HB3 SER A 23 -1.031 -29.592 -18.365 1.00 73.42 H new ATOM 0 HG SER A 23 0.569 -29.939 -20.008 1.00 2.01 H new ATOM 354 N THR A 24 -3.128 -28.662 -17.386 1.00 15.23 N ATOM 355 CA THR A 24 -3.799 -28.127 -16.207 1.00 25.51 C ATOM 356 C THR A 24 -3.259 -26.748 -15.845 1.00 62.45 C ATOM 357 O THR A 24 -3.575 -26.205 -14.787 1.00 30.23 O ATOM 358 CB THR A 24 -3.635 -29.064 -14.995 1.00 11.01 C ATOM 359 OG1 THR A 24 -2.404 -29.788 -15.098 1.00 0.03 O ATOM 360 CG2 THR A 24 -4.798 -30.041 -14.905 1.00 42.13 C ATOM 0 H THR A 24 -2.591 -29.513 -17.216 1.00 15.23 H new ATOM 0 HA THR A 24 -4.857 -28.046 -16.455 1.00 25.51 H new ATOM 0 HB THR A 24 -3.623 -28.454 -14.092 1.00 11.01 H new ATOM 0 HG1 THR A 24 -2.307 -30.380 -14.323 1.00 0.03 H new ATOM 0 HG21 THR A 24 -4.660 -30.692 -14.042 1.00 42.13 H new ATOM 0 HG22 THR A 24 -5.731 -29.487 -14.797 1.00 42.13 H new ATOM 0 HG23 THR A 24 -4.837 -30.644 -15.812 1.00 42.13 H new ATOM 368 N TYR A 25 -2.444 -26.187 -16.731 1.00 42.42 N ATOM 369 CA TYR A 25 -1.859 -24.871 -16.504 1.00 44.42 C ATOM 370 C TYR A 25 -2.804 -23.985 -15.698 1.00 73.51 C ATOM 371 O TYR A 25 -2.375 -23.230 -14.826 1.00 23.03 O ATOM 372 CB TYR A 25 -1.527 -24.200 -17.838 1.00 51.43 C ATOM 373 CG TYR A 25 -1.526 -22.689 -17.773 1.00 21.14 C ATOM 374 CD1 TYR A 25 -2.696 -21.965 -17.966 1.00 32.05 C ATOM 375 CD2 TYR A 25 -0.355 -21.986 -17.519 1.00 0.24 C ATOM 376 CE1 TYR A 25 -2.700 -20.585 -17.907 1.00 41.31 C ATOM 377 CE2 TYR A 25 -0.350 -20.606 -17.457 1.00 3.20 C ATOM 378 CZ TYR A 25 -1.524 -19.910 -17.652 1.00 54.21 C ATOM 379 OH TYR A 25 -1.523 -18.535 -17.593 1.00 20.01 O ATOM 0 H TYR A 25 -2.174 -26.623 -17.613 1.00 42.42 H new ATOM 0 HA TYR A 25 -0.940 -25.004 -15.933 1.00 44.42 H new ATOM 0 HB2 TYR A 25 -0.547 -24.541 -18.173 1.00 51.43 H new ATOM 0 HB3 TYR A 25 -2.250 -24.522 -18.587 1.00 51.43 H new ATOM 0 HD1 TYR A 25 -3.618 -22.490 -18.166 1.00 32.05 H new ATOM 0 HD2 TYR A 25 0.567 -22.528 -17.367 1.00 0.24 H new ATOM 0 HE1 TYR A 25 -3.618 -20.038 -18.060 1.00 41.31 H new ATOM 0 HE2 TYR A 25 0.569 -20.075 -17.257 1.00 3.20 H new ATOM 0 HH TYR A 25 -0.933 -18.239 -16.869 1.00 20.01 H new ATOM 389 N CYS A 26 -4.095 -24.085 -15.996 1.00 74.13 N ATOM 390 CA CYS A 26 -5.104 -23.295 -15.301 1.00 35.40 C ATOM 391 C CYS A 26 -5.293 -23.792 -13.870 1.00 42.43 C ATOM 392 O CYS A 26 -5.055 -23.058 -12.912 1.00 20.12 O ATOM 393 CB CYS A 26 -6.436 -23.355 -16.052 1.00 42.25 C ATOM 394 SG CYS A 26 -6.565 -22.170 -17.430 1.00 75.12 S ATOM 0 H CYS A 26 -4.467 -24.706 -16.715 1.00 74.13 H new ATOM 0 HA CYS A 26 -4.760 -22.261 -15.267 1.00 35.40 H new ATOM 0 HB2 CYS A 26 -6.577 -24.364 -16.440 1.00 42.25 H new ATOM 0 HB3 CYS A 26 -7.247 -23.167 -15.348 1.00 42.25 H new ATOM 399 N ASN A 27 -5.722 -25.042 -13.735 1.00 65.43 N ATOM 400 CA ASN A 27 -5.942 -25.637 -12.422 1.00 73.11 C ATOM 401 C ASN A 27 -4.965 -25.071 -11.397 1.00 44.30 C ATOM 402 O ASN A 27 -5.366 -24.625 -10.323 1.00 15.42 O ATOM 403 CB ASN A 27 -5.796 -27.158 -12.497 1.00 22.30 C ATOM 404 CG ASN A 27 -5.786 -27.806 -11.126 1.00 33.40 C ATOM 405 OD1 ASN A 27 -5.676 -27.126 -10.106 1.00 40.31 O ATOM 406 ND2 ASN A 27 -5.902 -29.129 -11.096 1.00 40.01 N ATOM 0 H ASN A 27 -5.924 -25.663 -14.519 1.00 65.43 H new ATOM 0 HA ASN A 27 -6.956 -25.391 -12.105 1.00 73.11 H new ATOM 0 HB2 ASN A 27 -6.616 -27.570 -13.085 1.00 22.30 H new ATOM 0 HB3 ASN A 27 -4.872 -27.406 -13.020 1.00 22.30 H new ATOM 0 HD21 ASN A 27 -5.902 -29.621 -10.202 1.00 40.01 H new ATOM 0 HD22 ASN A 27 -5.991 -29.653 -11.967 1.00 40.01 H new ATOM 413 N GLN A 28 -3.680 -25.092 -11.738 1.00 11.02 N ATOM 414 CA GLN A 28 -2.645 -24.580 -10.847 1.00 33.41 C ATOM 415 C GLN A 28 -2.583 -23.058 -10.903 1.00 0.43 C ATOM 416 O GLN A 28 -2.753 -22.382 -9.888 1.00 23.40 O ATOM 417 CB GLN A 28 -1.285 -25.172 -11.218 1.00 64.35 C ATOM 418 CG GLN A 28 -1.019 -26.529 -10.587 1.00 63.42 C ATOM 419 CD GLN A 28 -2.234 -27.436 -10.618 1.00 44.40 C ATOM 420 OE1 GLN A 28 -2.696 -27.909 -9.580 1.00 0.15 O ATOM 421 NE2 GLN A 28 -2.758 -27.682 -11.813 1.00 32.33 N ATOM 0 H GLN A 28 -3.331 -25.458 -12.624 1.00 11.02 H new ATOM 0 HA GLN A 28 -2.897 -24.878 -9.829 1.00 33.41 H new ATOM 0 HB2 GLN A 28 -1.223 -25.266 -12.302 1.00 64.35 H new ATOM 0 HB3 GLN A 28 -0.501 -24.479 -10.913 1.00 64.35 H new ATOM 0 HG2 GLN A 28 -0.195 -27.014 -11.111 1.00 63.42 H new ATOM 0 HG3 GLN A 28 -0.701 -26.389 -9.554 1.00 63.42 H new ATOM 0 HE21 GLN A 28 -2.342 -27.268 -12.647 1.00 32.33 H new ATOM 0 HE22 GLN A 28 -3.577 -28.285 -11.897 1.00 32.33 H new ATOM 430 N MET A 29 -2.338 -22.524 -12.095 1.00 11.42 N ATOM 431 CA MET A 29 -2.254 -21.080 -12.282 1.00 53.24 C ATOM 432 C MET A 29 -3.210 -20.353 -11.342 1.00 20.04 C ATOM 433 O MET A 29 -2.781 -19.685 -10.401 1.00 32.41 O ATOM 434 CB MET A 29 -2.571 -20.713 -13.733 1.00 74.35 C ATOM 435 CG MET A 29 -1.363 -20.773 -14.653 1.00 62.24 C ATOM 436 SD MET A 29 -0.603 -19.158 -14.908 1.00 2.03 S ATOM 437 CE MET A 29 0.006 -18.807 -13.260 1.00 64.33 C ATOM 0 H MET A 29 -2.194 -23.069 -12.945 1.00 11.42 H new ATOM 0 HA MET A 29 -1.236 -20.768 -12.049 1.00 53.24 H new ATOM 0 HB2 MET A 29 -3.339 -21.388 -14.110 1.00 74.35 H new ATOM 0 HB3 MET A 29 -2.989 -19.707 -13.762 1.00 74.35 H new ATOM 0 HG2 MET A 29 -0.624 -21.455 -14.232 1.00 62.24 H new ATOM 0 HG3 MET A 29 -1.665 -21.184 -15.616 1.00 62.24 H new ATOM 0 HE1 MET A 29 0.638 -17.920 -13.287 1.00 64.33 H new ATOM 0 HE2 MET A 29 -0.836 -18.632 -12.590 1.00 64.33 H new ATOM 0 HE3 MET A 29 0.587 -19.655 -12.898 1.00 64.33 H new ATOM 447 N MET A 30 -4.506 -20.487 -11.602 1.00 72.33 N ATOM 448 CA MET A 30 -5.522 -19.844 -10.777 1.00 41.54 C ATOM 449 C MET A 30 -5.187 -19.981 -9.296 1.00 25.43 C ATOM 450 O MET A 30 -5.443 -19.073 -8.505 1.00 23.42 O ATOM 451 CB MET A 30 -6.898 -20.450 -11.059 1.00 40.23 C ATOM 452 CG MET A 30 -7.723 -19.649 -12.054 1.00 2.24 C ATOM 453 SD MET A 30 -8.497 -18.201 -11.307 1.00 64.25 S ATOM 454 CE MET A 30 -7.190 -16.989 -11.487 1.00 13.14 C ATOM 0 H MET A 30 -4.878 -21.035 -12.378 1.00 72.33 H new ATOM 0 HA MET A 30 -5.541 -18.784 -11.030 1.00 41.54 H new ATOM 0 HB2 MET A 30 -6.769 -21.463 -11.439 1.00 40.23 H new ATOM 0 HB3 MET A 30 -7.450 -20.529 -10.122 1.00 40.23 H new ATOM 0 HG2 MET A 30 -7.084 -19.330 -12.877 1.00 2.24 H new ATOM 0 HG3 MET A 30 -8.495 -20.290 -12.480 1.00 2.24 H new ATOM 0 HE1 MET A 30 -6.656 -16.887 -10.542 1.00 13.14 H new ATOM 0 HE2 MET A 30 -6.497 -17.314 -12.263 1.00 13.14 H new ATOM 0 HE3 MET A 30 -7.621 -16.027 -11.765 1.00 13.14 H new ATOM 464 N ARG A 31 -4.613 -21.122 -8.927 1.00 62.11 N ATOM 465 CA ARG A 31 -4.244 -21.379 -7.540 1.00 52.50 C ATOM 466 C ARG A 31 -2.941 -20.668 -7.184 1.00 34.44 C ATOM 467 O ARG A 31 -2.749 -20.237 -6.047 1.00 11.13 O ATOM 468 CB ARG A 31 -4.101 -22.882 -7.298 1.00 23.22 C ATOM 469 CG ARG A 31 -3.460 -23.226 -5.963 1.00 15.43 C ATOM 470 CD ARG A 31 -2.371 -24.275 -6.121 1.00 12.12 C ATOM 471 NE ARG A 31 -1.113 -23.854 -5.510 1.00 40.24 N ATOM 472 CZ ARG A 31 -0.178 -24.701 -5.095 1.00 61.03 C ATOM 473 NH1 ARG A 31 -0.358 -26.008 -5.225 1.00 33.23 N ATOM 474 NH2 ARG A 31 0.941 -24.241 -4.550 1.00 32.12 N ATOM 0 H ARG A 31 -4.393 -21.883 -9.570 1.00 62.11 H new ATOM 0 HA ARG A 31 -5.036 -20.990 -6.901 1.00 52.50 H new ATOM 0 HB2 ARG A 31 -5.087 -23.345 -7.348 1.00 23.22 H new ATOM 0 HB3 ARG A 31 -3.504 -23.315 -8.100 1.00 23.22 H new ATOM 0 HG2 ARG A 31 -3.037 -22.325 -5.519 1.00 15.43 H new ATOM 0 HG3 ARG A 31 -4.223 -23.593 -5.276 1.00 15.43 H new ATOM 0 HD2 ARG A 31 -2.700 -25.210 -5.667 1.00 12.12 H new ATOM 0 HD3 ARG A 31 -2.211 -24.474 -7.181 1.00 12.12 H new ATOM 0 HE ARG A 31 -0.943 -22.855 -5.396 1.00 40.24 H new ATOM 0 HH11 ARG A 31 -1.216 -26.365 -5.645 1.00 33.23 H new ATOM 0 HH12 ARG A 31 0.362 -26.656 -4.905 1.00 33.23 H new ATOM 0 HH21 ARG A 31 1.084 -23.236 -4.449 1.00 32.12 H new ATOM 0 HH22 ARG A 31 1.658 -24.892 -4.232 1.00 32.12 H new ATOM 488 N ARG A 32 -2.050 -20.552 -8.162 1.00 51.25 N ATOM 489 CA ARG A 32 -0.765 -19.896 -7.952 1.00 12.14 C ATOM 490 C ARG A 32 -0.946 -18.392 -7.766 1.00 73.25 C ATOM 491 O ARG A 32 -0.120 -17.730 -7.139 1.00 22.14 O ATOM 492 CB ARG A 32 0.169 -20.166 -9.132 1.00 63.42 C ATOM 493 CG ARG A 32 1.530 -20.706 -8.721 1.00 55.21 C ATOM 494 CD ARG A 32 2.599 -20.358 -9.744 1.00 42.24 C ATOM 495 NE ARG A 32 3.577 -21.431 -9.900 1.00 62.14 N ATOM 496 CZ ARG A 32 4.623 -21.595 -9.098 1.00 32.14 C ATOM 497 NH1 ARG A 32 4.825 -20.760 -8.088 1.00 35.25 N ATOM 498 NH2 ARG A 32 5.469 -22.596 -9.304 1.00 72.20 N ATOM 0 H ARG A 32 -2.194 -20.904 -9.108 1.00 51.25 H new ATOM 0 HA ARG A 32 -0.321 -20.306 -7.045 1.00 12.14 H new ATOM 0 HB2 ARG A 32 -0.307 -20.879 -9.805 1.00 63.42 H new ATOM 0 HB3 ARG A 32 0.309 -19.242 -9.693 1.00 63.42 H new ATOM 0 HG2 ARG A 32 1.807 -20.296 -7.750 1.00 55.21 H new ATOM 0 HG3 ARG A 32 1.474 -21.788 -8.606 1.00 55.21 H new ATOM 0 HD2 ARG A 32 2.128 -20.154 -10.706 1.00 42.24 H new ATOM 0 HD3 ARG A 32 3.109 -19.444 -9.439 1.00 42.24 H new ATOM 0 HE ARG A 32 3.450 -22.091 -10.667 1.00 62.14 H new ATOM 0 HH11 ARG A 32 4.176 -19.990 -7.926 1.00 35.25 H new ATOM 0 HH12 ARG A 32 5.629 -20.888 -7.473 1.00 35.25 H new ATOM 0 HH21 ARG A 32 5.317 -23.241 -10.079 1.00 72.20 H new ATOM 0 HH22 ARG A 32 6.272 -22.720 -8.687 1.00 72.20 H new ATOM 512 N ARG A 33 -2.032 -17.860 -8.318 1.00 12.14 N ATOM 513 CA ARG A 33 -2.321 -16.434 -8.215 1.00 23.53 C ATOM 514 C ARG A 33 -2.923 -16.099 -6.854 1.00 11.54 C ATOM 515 O ARG A 33 -3.448 -15.005 -6.649 1.00 44.30 O ATOM 516 CB ARG A 33 -3.278 -16.005 -9.328 1.00 43.51 C ATOM 517 CG ARG A 33 -2.847 -16.462 -10.712 1.00 44.30 C ATOM 518 CD ARG A 33 -1.538 -15.811 -11.131 1.00 43.12 C ATOM 519 NE ARG A 33 -1.752 -14.681 -12.032 1.00 21.23 N ATOM 520 CZ ARG A 33 -1.902 -14.807 -13.346 1.00 3.14 C ATOM 521 NH1 ARG A 33 -1.861 -16.006 -13.909 1.00 74.40 N ATOM 522 NH2 ARG A 33 -2.093 -13.731 -14.099 1.00 21.33 N ATOM 0 H ARG A 33 -2.726 -18.394 -8.841 1.00 12.14 H new ATOM 0 HA ARG A 33 -1.383 -15.889 -8.322 1.00 23.53 H new ATOM 0 HB2 ARG A 33 -4.270 -16.403 -9.116 1.00 43.51 H new ATOM 0 HB3 ARG A 33 -3.363 -14.918 -9.324 1.00 43.51 H new ATOM 0 HG2 ARG A 33 -2.734 -17.546 -10.720 1.00 44.30 H new ATOM 0 HG3 ARG A 33 -3.624 -16.217 -11.436 1.00 44.30 H new ATOM 0 HD2 ARG A 33 -1.002 -15.471 -10.245 1.00 43.12 H new ATOM 0 HD3 ARG A 33 -0.906 -16.551 -11.622 1.00 43.12 H new ATOM 0 HE ARG A 33 -1.788 -13.744 -11.630 1.00 21.23 H new ATOM 0 HH11 ARG A 33 -1.714 -16.835 -13.333 1.00 74.40 H new ATOM 0 HH12 ARG A 33 -1.976 -16.100 -14.918 1.00 74.40 H new ATOM 0 HH21 ARG A 33 -2.125 -12.807 -13.669 1.00 21.33 H new ATOM 0 HH22 ARG A 33 -2.208 -13.828 -15.108 1.00 21.33 H new ATOM 536 N ASN A 34 -2.844 -17.048 -5.927 1.00 1.33 N ATOM 537 CA ASN A 34 -3.382 -16.853 -4.585 1.00 53.14 C ATOM 538 C ASN A 34 -4.875 -16.540 -4.638 1.00 64.13 C ATOM 539 O ASN A 34 -5.353 -15.632 -3.960 1.00 10.22 O ATOM 540 CB ASN A 34 -2.638 -15.722 -3.874 1.00 4.43 C ATOM 541 CG ASN A 34 -2.214 -16.103 -2.468 1.00 44.24 C ATOM 542 OD1 ASN A 34 -3.051 -16.308 -1.590 1.00 20.24 O ATOM 543 ND2 ASN A 34 -0.907 -16.199 -2.250 1.00 52.24 N ATOM 0 H ASN A 34 -2.413 -17.960 -6.080 1.00 1.33 H new ATOM 0 HA ASN A 34 -3.242 -17.778 -4.026 1.00 53.14 H new ATOM 0 HB2 ASN A 34 -1.757 -15.449 -4.455 1.00 4.43 H new ATOM 0 HB3 ASN A 34 -3.278 -14.840 -3.831 1.00 4.43 H new ATOM 0 HD21 ASN A 34 -0.562 -16.452 -1.324 1.00 52.24 H new ATOM 0 HD22 ASN A 34 -0.249 -16.020 -3.008 1.00 52.24 H new ATOM 550 N MET A 35 -5.604 -17.300 -5.449 1.00 14.42 N ATOM 551 CA MET A 35 -7.043 -17.105 -5.589 1.00 2.41 C ATOM 552 C MET A 35 -7.806 -18.346 -5.139 1.00 32.05 C ATOM 553 O MET A 35 -9.023 -18.307 -4.954 1.00 12.33 O ATOM 554 CB MET A 35 -7.395 -16.773 -7.040 1.00 72.53 C ATOM 555 CG MET A 35 -8.838 -16.333 -7.230 1.00 44.12 C ATOM 556 SD MET A 35 -8.981 -14.582 -7.635 1.00 54.30 S ATOM 557 CE MET A 35 -8.903 -14.640 -9.423 1.00 74.25 C ATOM 0 H MET A 35 -5.223 -18.056 -6.018 1.00 14.42 H new ATOM 0 HA MET A 35 -7.335 -16.270 -4.952 1.00 2.41 H new ATOM 0 HB2 MET A 35 -6.733 -15.983 -7.394 1.00 72.53 H new ATOM 0 HB3 MET A 35 -7.206 -17.649 -7.661 1.00 72.53 H new ATOM 0 HG2 MET A 35 -9.293 -16.924 -8.025 1.00 44.12 H new ATOM 0 HG3 MET A 35 -9.400 -16.538 -6.319 1.00 44.12 H new ATOM 0 HE1 MET A 35 -7.973 -14.182 -9.762 1.00 74.25 H new ATOM 0 HE2 MET A 35 -8.939 -15.677 -9.755 1.00 74.25 H new ATOM 0 HE3 MET A 35 -9.749 -14.095 -9.842 1.00 74.25 H new ATOM 567 N THR A 36 -7.084 -19.448 -4.964 1.00 31.55 N ATOM 568 CA THR A 36 -7.693 -20.702 -4.536 1.00 55.44 C ATOM 569 C THR A 36 -7.134 -21.155 -3.193 1.00 32.02 C ATOM 570 O THR A 36 -7.263 -22.320 -2.819 1.00 23.40 O ATOM 571 CB THR A 36 -7.471 -21.817 -5.575 1.00 71.10 C ATOM 572 OG1 THR A 36 -6.143 -22.339 -5.457 1.00 1.13 O ATOM 573 CG2 THR A 36 -7.692 -21.294 -6.986 1.00 72.34 C ATOM 0 H THR A 36 -6.076 -19.498 -5.112 1.00 31.55 H new ATOM 0 HA THR A 36 -8.762 -20.516 -4.436 1.00 55.44 H new ATOM 0 HB THR A 36 -8.192 -22.612 -5.382 1.00 71.10 H new ATOM 0 HG1 THR A 36 -6.127 -23.041 -4.774 1.00 1.13 H new ATOM 0 HG21 THR A 36 -7.529 -22.099 -7.702 1.00 72.34 H new ATOM 0 HG22 THR A 36 -8.713 -20.924 -7.081 1.00 72.34 H new ATOM 0 HG23 THR A 36 -6.992 -20.483 -7.187 1.00 72.34 H new ATOM 581 N GLN A 37 -6.514 -20.227 -2.471 1.00 55.33 N ATOM 582 CA GLN A 37 -5.936 -20.533 -1.168 1.00 43.34 C ATOM 583 C GLN A 37 -7.027 -20.748 -0.125 1.00 70.41 C ATOM 584 O GLN A 37 -6.826 -21.457 0.861 1.00 52.44 O ATOM 585 CB GLN A 37 -5.004 -19.404 -0.723 1.00 62.41 C ATOM 586 CG GLN A 37 -3.647 -19.431 -1.407 1.00 45.42 C ATOM 587 CD GLN A 37 -2.745 -20.526 -0.873 1.00 62.00 C ATOM 588 OE1 GLN A 37 -2.612 -21.588 -1.482 1.00 24.24 O ATOM 589 NE2 GLN A 37 -2.119 -20.273 0.271 1.00 73.13 N ATOM 0 H GLN A 37 -6.399 -19.257 -2.766 1.00 55.33 H new ATOM 0 HA GLN A 37 -5.361 -21.455 -1.261 1.00 43.34 H new ATOM 0 HB2 GLN A 37 -5.484 -18.447 -0.925 1.00 62.41 H new ATOM 0 HB3 GLN A 37 -4.859 -19.467 0.356 1.00 62.41 H new ATOM 0 HG2 GLN A 37 -3.788 -19.572 -2.479 1.00 45.42 H new ATOM 0 HG3 GLN A 37 -3.158 -18.466 -1.274 1.00 45.42 H new ATOM 0 HE21 GLN A 37 -2.258 -19.379 0.742 1.00 73.13 H new ATOM 0 HE22 GLN A 37 -1.499 -20.973 0.679 1.00 73.13 H new ATOM 598 N GLY A 38 -8.184 -20.132 -0.349 1.00 43.03 N ATOM 599 CA GLY A 38 -9.290 -20.269 0.580 1.00 4.24 C ATOM 600 C GLY A 38 -10.420 -21.107 0.017 1.00 21.44 C ATOM 601 O GLY A 38 -10.878 -22.054 0.658 1.00 52.41 O ATOM 0 H GLY A 38 -8.375 -19.540 -1.158 1.00 43.03 H new ATOM 0 HA2 GLY A 38 -8.931 -20.723 1.503 1.00 4.24 H new ATOM 0 HA3 GLY A 38 -9.669 -19.280 0.837 1.00 4.24 H new ATOM 605 N ARG A 39 -10.872 -20.759 -1.183 1.00 22.21 N ATOM 606 CA ARG A 39 -11.958 -21.485 -1.830 1.00 62.15 C ATOM 607 C ARG A 39 -11.567 -21.899 -3.246 1.00 40.43 C ATOM 608 O ARG A 39 -10.473 -21.585 -3.717 1.00 11.32 O ATOM 609 CB ARG A 39 -13.222 -20.625 -1.870 1.00 34.24 C ATOM 610 CG ARG A 39 -12.959 -19.171 -2.223 1.00 51.51 C ATOM 611 CD ARG A 39 -14.126 -18.280 -1.825 1.00 22.45 C ATOM 612 NE ARG A 39 -13.973 -17.751 -0.472 1.00 35.42 N ATOM 613 CZ ARG A 39 -14.553 -16.633 -0.050 1.00 74.14 C ATOM 614 NH1 ARG A 39 -15.320 -15.930 -0.872 1.00 54.10 N ATOM 615 NH2 ARG A 39 -14.367 -16.216 1.195 1.00 21.35 N ATOM 0 H ARG A 39 -10.503 -19.979 -1.727 1.00 22.21 H new ATOM 0 HA ARG A 39 -12.157 -22.385 -1.248 1.00 62.15 H new ATOM 0 HB2 ARG A 39 -13.915 -21.047 -2.598 1.00 34.24 H new ATOM 0 HB3 ARG A 39 -13.713 -20.671 -0.898 1.00 34.24 H new ATOM 0 HG2 ARG A 39 -12.053 -18.832 -1.720 1.00 51.51 H new ATOM 0 HG3 ARG A 39 -12.781 -19.082 -3.295 1.00 51.51 H new ATOM 0 HD2 ARG A 39 -14.208 -17.453 -2.531 1.00 22.45 H new ATOM 0 HD3 ARG A 39 -15.054 -18.848 -1.890 1.00 22.45 H new ATOM 0 HE ARG A 39 -13.389 -18.268 0.185 1.00 35.42 H new ATOM 0 HH11 ARG A 39 -15.466 -16.247 -1.830 1.00 54.10 H new ATOM 0 HH12 ARG A 39 -15.764 -15.072 -0.546 1.00 54.10 H new ATOM 0 HH21 ARG A 39 -13.778 -16.754 1.830 1.00 21.35 H new ATOM 0 HH22 ARG A 39 -14.813 -15.357 1.517 1.00 21.35 H new ATOM 629 N CYS A 40 -12.468 -22.605 -3.921 1.00 21.23 N ATOM 630 CA CYS A 40 -12.218 -23.063 -5.282 1.00 73.21 C ATOM 631 C CYS A 40 -12.982 -22.210 -6.291 1.00 63.44 C ATOM 632 O CYS A 40 -14.197 -22.341 -6.439 1.00 31.33 O ATOM 633 CB CYS A 40 -12.621 -24.532 -5.430 1.00 53.44 C ATOM 634 SG CYS A 40 -11.213 -25.676 -5.595 1.00 14.00 S ATOM 0 H CYS A 40 -13.379 -22.872 -3.547 1.00 21.23 H new ATOM 0 HA CYS A 40 -11.151 -22.964 -5.483 1.00 73.21 H new ATOM 0 HB2 CYS A 40 -13.213 -24.824 -4.563 1.00 53.44 H new ATOM 0 HB3 CYS A 40 -13.264 -24.635 -6.304 1.00 53.44 H new ATOM 639 N LYS A 41 -12.260 -21.337 -6.985 1.00 40.30 N ATOM 640 CA LYS A 41 -12.867 -20.463 -7.982 1.00 2.30 C ATOM 641 C LYS A 41 -13.697 -21.267 -8.977 1.00 53.21 C ATOM 642 O LYS A 41 -13.288 -22.327 -9.450 1.00 32.43 O ATOM 643 CB LYS A 41 -11.786 -19.674 -8.724 1.00 3.50 C ATOM 644 CG LYS A 41 -12.319 -18.460 -9.465 1.00 13.31 C ATOM 645 CD LYS A 41 -12.779 -17.377 -8.503 1.00 42.21 C ATOM 646 CE LYS A 41 -11.674 -16.368 -8.231 1.00 3.14 C ATOM 647 NZ LYS A 41 -12.196 -14.975 -8.173 1.00 55.33 N ATOM 0 H LYS A 41 -11.253 -21.216 -6.875 1.00 40.30 H new ATOM 0 HA LYS A 41 -13.527 -19.766 -7.465 1.00 2.30 H new ATOM 0 HB2 LYS A 41 -11.030 -19.350 -8.009 1.00 3.50 H new ATOM 0 HB3 LYS A 41 -11.290 -20.334 -9.435 1.00 3.50 H new ATOM 0 HG2 LYS A 41 -11.543 -18.062 -10.118 1.00 13.31 H new ATOM 0 HG3 LYS A 41 -13.151 -18.758 -10.103 1.00 13.31 H new ATOM 0 HD2 LYS A 41 -13.647 -16.865 -8.918 1.00 42.21 H new ATOM 0 HD3 LYS A 41 -13.096 -17.833 -7.565 1.00 42.21 H new ATOM 0 HE2 LYS A 41 -11.184 -16.612 -7.288 1.00 3.14 H new ATOM 0 HE3 LYS A 41 -10.917 -16.440 -9.012 1.00 3.14 H new ATOM 0 HZ1 LYS A 41 -11.412 -14.318 -7.986 1.00 55.33 H new ATOM 0 HZ2 LYS A 41 -12.641 -14.733 -9.081 1.00 55.33 H new ATOM 0 HZ3 LYS A 41 -12.900 -14.900 -7.411 1.00 55.33 H new ATOM 661 N PRO A 42 -14.892 -20.752 -9.305 1.00 45.51 N ATOM 662 CA PRO A 42 -15.803 -21.405 -10.249 1.00 13.21 C ATOM 663 C PRO A 42 -15.282 -21.363 -11.681 1.00 72.34 C ATOM 664 O PRO A 42 -15.239 -22.385 -12.367 1.00 10.01 O ATOM 665 CB PRO A 42 -17.090 -20.585 -10.124 1.00 71.30 C ATOM 666 CG PRO A 42 -16.641 -19.244 -9.655 1.00 72.42 C ATOM 667 CD PRO A 42 -15.443 -19.491 -8.780 1.00 74.23 C ATOM 0 HA PRO A 42 -15.932 -22.464 -10.025 1.00 13.21 H new ATOM 0 HB2 PRO A 42 -17.610 -20.516 -11.079 1.00 71.30 H new ATOM 0 HB3 PRO A 42 -17.782 -21.041 -9.416 1.00 71.30 H new ATOM 0 HG2 PRO A 42 -16.383 -18.602 -10.497 1.00 72.42 H new ATOM 0 HG3 PRO A 42 -17.432 -18.740 -9.100 1.00 72.42 H new ATOM 0 HD2 PRO A 42 -14.721 -18.677 -8.848 1.00 74.23 H new ATOM 0 HD3 PRO A 42 -15.723 -19.581 -7.731 1.00 74.23 H new ATOM 675 N VAL A 43 -14.887 -20.175 -12.128 1.00 63.52 N ATOM 676 CA VAL A 43 -14.367 -20.001 -13.479 1.00 62.22 C ATOM 677 C VAL A 43 -13.733 -18.625 -13.651 1.00 73.21 C ATOM 678 O VAL A 43 -14.003 -17.706 -12.880 1.00 15.23 O ATOM 679 CB VAL A 43 -15.475 -20.180 -14.534 1.00 44.33 C ATOM 680 CG1 VAL A 43 -16.790 -19.606 -14.030 1.00 20.11 C ATOM 681 CG2 VAL A 43 -15.068 -19.529 -15.848 1.00 15.11 C ATOM 0 H VAL A 43 -14.917 -19.319 -11.574 1.00 63.52 H new ATOM 0 HA VAL A 43 -13.607 -20.768 -13.627 1.00 62.22 H new ATOM 0 HB VAL A 43 -15.616 -21.246 -14.711 1.00 44.33 H new ATOM 0 HG11 VAL A 43 -17.561 -19.742 -14.789 1.00 20.11 H new ATOM 0 HG12 VAL A 43 -17.086 -20.122 -13.116 1.00 20.11 H new ATOM 0 HG13 VAL A 43 -16.667 -18.543 -13.823 1.00 20.11 H new ATOM 0 HG21 VAL A 43 -15.862 -19.665 -16.582 1.00 15.11 H new ATOM 0 HG22 VAL A 43 -14.899 -18.464 -15.689 1.00 15.11 H new ATOM 0 HG23 VAL A 43 -14.152 -19.991 -16.215 1.00 15.11 H new ATOM 691 N ASN A 44 -12.889 -18.491 -14.669 1.00 31.41 N ATOM 692 CA ASN A 44 -12.216 -17.227 -14.943 1.00 13.34 C ATOM 693 C ASN A 44 -11.538 -17.256 -16.309 1.00 53.10 C ATOM 694 O ASN A 44 -11.568 -18.269 -17.009 1.00 33.15 O ATOM 695 CB ASN A 44 -11.183 -16.929 -13.854 1.00 40.13 C ATOM 696 CG ASN A 44 -10.820 -15.458 -13.788 1.00 54.23 C ATOM 697 OD1 ASN A 44 -9.723 -15.059 -14.179 1.00 71.42 O ATOM 698 ND2 ASN A 44 -11.744 -14.643 -13.292 1.00 3.24 N ATOM 0 H ASN A 44 -12.655 -19.243 -15.318 1.00 31.41 H new ATOM 0 HA ASN A 44 -12.967 -16.437 -14.948 1.00 13.34 H new ATOM 0 HB2 ASN A 44 -11.575 -17.247 -12.888 1.00 40.13 H new ATOM 0 HB3 ASN A 44 -10.283 -17.514 -14.041 1.00 40.13 H new ATOM 0 HD21 ASN A 44 -11.558 -13.643 -13.223 1.00 3.24 H new ATOM 0 HD22 ASN A 44 -12.640 -15.018 -12.980 1.00 3.24 H new ATOM 705 N THR A 45 -10.926 -16.137 -16.684 1.00 2.02 N ATOM 706 CA THR A 45 -10.241 -16.033 -17.966 1.00 24.31 C ATOM 707 C THR A 45 -8.914 -15.296 -17.822 1.00 54.45 C ATOM 708 O THR A 45 -8.846 -14.236 -17.200 1.00 54.51 O ATOM 709 CB THR A 45 -11.109 -15.306 -19.010 1.00 32.41 C ATOM 710 OG1 THR A 45 -12.464 -15.761 -18.922 1.00 13.44 O ATOM 711 CG2 THR A 45 -10.579 -15.546 -20.416 1.00 13.43 C ATOM 0 H THR A 45 -10.891 -15.290 -16.117 1.00 2.02 H new ATOM 0 HA THR A 45 -10.053 -17.051 -18.307 1.00 24.31 H new ATOM 0 HB THR A 45 -11.070 -14.237 -18.802 1.00 32.41 H new ATOM 0 HG1 THR A 45 -13.010 -15.293 -19.588 1.00 13.44 H new ATOM 0 HG21 THR A 45 -11.208 -15.023 -21.136 1.00 13.43 H new ATOM 0 HG22 THR A 45 -9.557 -15.173 -20.488 1.00 13.43 H new ATOM 0 HG23 THR A 45 -10.591 -16.614 -20.632 1.00 13.43 H new ATOM 719 N PHE A 46 -7.862 -15.862 -18.403 1.00 23.22 N ATOM 720 CA PHE A 46 -6.536 -15.258 -18.339 1.00 52.31 C ATOM 721 C PHE A 46 -6.230 -14.482 -19.617 1.00 71.20 C ATOM 722 O PHE A 46 -7.046 -14.433 -20.538 1.00 31.44 O ATOM 723 CB PHE A 46 -5.472 -16.334 -18.115 1.00 2.11 C ATOM 724 CG PHE A 46 -5.172 -16.588 -16.665 1.00 52.12 C ATOM 725 CD1 PHE A 46 -4.953 -15.533 -15.794 1.00 41.02 C ATOM 726 CD2 PHE A 46 -5.109 -17.882 -16.174 1.00 14.14 C ATOM 727 CE1 PHE A 46 -4.677 -15.763 -14.459 1.00 73.25 C ATOM 728 CE2 PHE A 46 -4.835 -18.118 -14.840 1.00 23.21 C ATOM 729 CZ PHE A 46 -4.617 -17.058 -13.982 1.00 51.30 C ATOM 0 H PHE A 46 -7.902 -16.738 -18.924 1.00 23.22 H new ATOM 0 HA PHE A 46 -6.521 -14.563 -17.500 1.00 52.31 H new ATOM 0 HB2 PHE A 46 -5.804 -17.264 -18.577 1.00 2.11 H new ATOM 0 HB3 PHE A 46 -4.554 -16.036 -18.621 1.00 2.11 H new ATOM 0 HD1 PHE A 46 -4.998 -14.519 -16.162 1.00 41.02 H new ATOM 0 HD2 PHE A 46 -5.276 -18.715 -16.841 1.00 14.14 H new ATOM 0 HE1 PHE A 46 -4.509 -14.932 -13.790 1.00 73.25 H new ATOM 0 HE2 PHE A 46 -4.791 -19.131 -14.469 1.00 23.21 H new ATOM 0 HZ PHE A 46 -4.400 -17.241 -12.940 1.00 51.30 H new ATOM 739 N VAL A 47 -5.048 -13.876 -19.666 1.00 30.13 N ATOM 740 CA VAL A 47 -4.633 -13.103 -20.830 1.00 25.10 C ATOM 741 C VAL A 47 -3.122 -13.170 -21.023 1.00 43.51 C ATOM 742 O VAL A 47 -2.354 -12.808 -20.130 1.00 73.33 O ATOM 743 CB VAL A 47 -5.059 -11.628 -20.706 1.00 22.33 C ATOM 744 CG1 VAL A 47 -4.427 -10.795 -21.810 1.00 41.21 C ATOM 745 CG2 VAL A 47 -6.575 -11.508 -20.737 1.00 1.13 C ATOM 0 H VAL A 47 -4.361 -13.906 -18.913 1.00 30.13 H new ATOM 0 HA VAL A 47 -5.127 -13.544 -21.696 1.00 25.10 H new ATOM 0 HB VAL A 47 -4.706 -11.245 -19.748 1.00 22.33 H new ATOM 0 HG11 VAL A 47 -4.739 -9.756 -21.706 1.00 41.21 H new ATOM 0 HG12 VAL A 47 -3.341 -10.857 -21.736 1.00 41.21 H new ATOM 0 HG13 VAL A 47 -4.747 -11.175 -22.780 1.00 41.21 H new ATOM 0 HG21 VAL A 47 -6.859 -10.459 -20.648 1.00 1.13 H new ATOM 0 HG22 VAL A 47 -6.952 -11.908 -21.678 1.00 1.13 H new ATOM 0 HG23 VAL A 47 -7.002 -12.071 -19.907 1.00 1.13 H new ATOM 755 N HIS A 48 -2.700 -13.633 -22.195 1.00 73.44 N ATOM 756 CA HIS A 48 -1.280 -13.746 -22.507 1.00 22.41 C ATOM 757 C HIS A 48 -0.776 -12.490 -23.211 1.00 13.23 C ATOM 758 O HIS A 48 0.279 -12.503 -23.844 1.00 12.14 O ATOM 759 CB HIS A 48 -1.024 -14.973 -23.383 1.00 53.13 C ATOM 760 CG HIS A 48 -1.045 -16.265 -22.626 1.00 42.11 C ATOM 761 ND1 HIS A 48 -0.061 -16.628 -21.731 1.00 21.31 N ATOM 762 CD2 HIS A 48 -1.939 -17.281 -22.633 1.00 62.23 C ATOM 763 CE1 HIS A 48 -0.348 -17.813 -21.222 1.00 1.15 C ATOM 764 NE2 HIS A 48 -1.483 -18.231 -21.752 1.00 41.13 N ATOM 0 H HIS A 48 -3.322 -13.936 -22.945 1.00 73.44 H new ATOM 0 HA HIS A 48 -0.736 -13.859 -21.569 1.00 22.41 H new ATOM 0 HB2 HIS A 48 -1.777 -15.011 -24.170 1.00 53.13 H new ATOM 0 HB3 HIS A 48 -0.056 -14.864 -23.873 1.00 53.13 H new ATOM 0 HD1 HIS A 48 0.760 -16.069 -21.498 1.00 21.31 H new ATOM 0 HD2 HIS A 48 -2.843 -17.335 -23.222 1.00 62.23 H new ATOM 0 HE1 HIS A 48 0.245 -18.349 -20.496 1.00 1.15 H new ATOM 772 N GLU A 49 -1.539 -11.407 -23.096 1.00 1.04 N ATOM 773 CA GLU A 49 -1.170 -10.143 -23.723 1.00 23.33 C ATOM 774 C GLU A 49 -0.769 -9.111 -22.672 1.00 61.43 C ATOM 775 O GLU A 49 -1.266 -9.109 -21.546 1.00 73.31 O ATOM 776 CB GLU A 49 -2.330 -9.607 -24.563 1.00 75.22 C ATOM 777 CG GLU A 49 -2.018 -9.522 -26.048 1.00 14.12 C ATOM 778 CD GLU A 49 -1.102 -10.636 -26.516 1.00 51.43 C ATOM 779 OE1 GLU A 49 -1.452 -11.817 -26.310 1.00 4.20 O ATOM 780 OE2 GLU A 49 -0.036 -10.327 -27.088 1.00 52.45 O ATOM 0 H GLU A 49 -2.415 -11.380 -22.575 1.00 1.04 H new ATOM 0 HA GLU A 49 -0.314 -10.326 -24.373 1.00 23.33 H new ATOM 0 HB2 GLU A 49 -3.199 -10.249 -24.419 1.00 75.22 H new ATOM 0 HB3 GLU A 49 -2.603 -8.616 -24.200 1.00 75.22 H new ATOM 0 HG2 GLU A 49 -2.949 -9.560 -26.614 1.00 14.12 H new ATOM 0 HG3 GLU A 49 -1.553 -8.560 -26.263 1.00 14.12 H new ATOM 787 N PRO A 50 0.153 -8.213 -23.048 1.00 42.22 N ATOM 788 CA PRO A 50 0.642 -7.159 -22.154 1.00 40.11 C ATOM 789 C PRO A 50 -0.418 -6.099 -21.873 1.00 20.41 C ATOM 790 O PRO A 50 -1.299 -5.853 -22.698 1.00 62.31 O ATOM 791 CB PRO A 50 1.813 -6.551 -22.930 1.00 3.13 C ATOM 792 CG PRO A 50 1.509 -6.836 -24.360 1.00 3.10 C ATOM 793 CD PRO A 50 0.789 -8.156 -24.375 1.00 41.21 C ATOM 0 HA PRO A 50 0.919 -7.551 -21.175 1.00 40.11 H new ATOM 0 HB2 PRO A 50 1.894 -5.479 -22.749 1.00 3.13 H new ATOM 0 HB3 PRO A 50 2.761 -6.998 -22.630 1.00 3.13 H new ATOM 0 HG2 PRO A 50 0.891 -6.049 -24.792 1.00 3.10 H new ATOM 0 HG3 PRO A 50 2.423 -6.883 -24.951 1.00 3.10 H new ATOM 0 HD2 PRO A 50 0.052 -8.202 -25.176 1.00 41.21 H new ATOM 0 HD3 PRO A 50 1.477 -8.987 -24.527 1.00 41.21 H new ATOM 801 N LEU A 51 -0.328 -5.475 -20.704 1.00 44.41 N ATOM 802 CA LEU A 51 -1.279 -4.440 -20.314 1.00 52.00 C ATOM 803 C LEU A 51 -1.326 -3.324 -21.353 1.00 12.14 C ATOM 804 O LEU A 51 -2.368 -3.066 -21.955 1.00 52.42 O ATOM 805 CB LEU A 51 -0.905 -3.865 -18.947 1.00 12.41 C ATOM 806 CG LEU A 51 -1.946 -2.954 -18.294 1.00 70.23 C ATOM 807 CD1 LEU A 51 -3.106 -3.774 -17.750 1.00 5.34 C ATOM 808 CD2 LEU A 51 -1.310 -2.125 -17.188 1.00 14.10 C ATOM 0 H LEU A 51 0.394 -5.668 -20.010 1.00 44.41 H new ATOM 0 HA LEU A 51 -2.268 -4.895 -20.252 1.00 52.00 H new ATOM 0 HB2 LEU A 51 -0.701 -4.694 -18.270 1.00 12.41 H new ATOM 0 HB3 LEU A 51 0.024 -3.304 -19.053 1.00 12.41 H new ATOM 0 HG LEU A 51 -2.333 -2.274 -19.053 1.00 70.23 H new ATOM 0 HD11 LEU A 51 -3.837 -3.109 -17.289 1.00 5.34 H new ATOM 0 HD12 LEU A 51 -3.578 -4.322 -18.565 1.00 5.34 H new ATOM 0 HD13 LEU A 51 -2.736 -4.479 -17.005 1.00 5.34 H new ATOM 0 HD21 LEU A 51 -2.065 -1.483 -16.735 1.00 14.10 H new ATOM 0 HD22 LEU A 51 -0.895 -2.788 -16.429 1.00 14.10 H new ATOM 0 HD23 LEU A 51 -0.514 -1.509 -17.607 1.00 14.10 H new ATOM 820 N VAL A 52 -0.190 -2.666 -21.559 1.00 24.03 N ATOM 821 CA VAL A 52 -0.100 -1.580 -22.527 1.00 2.30 C ATOM 822 C VAL A 52 -1.042 -1.812 -23.703 1.00 31.14 C ATOM 823 O VAL A 52 -1.626 -0.870 -24.239 1.00 63.23 O ATOM 824 CB VAL A 52 1.337 -1.419 -23.059 1.00 32.13 C ATOM 825 CG1 VAL A 52 1.662 -2.518 -24.058 1.00 64.43 C ATOM 826 CG2 VAL A 52 1.522 -0.045 -23.685 1.00 60.34 C ATOM 0 H VAL A 52 0.681 -2.866 -21.068 1.00 24.03 H new ATOM 0 HA VAL A 52 -0.391 -0.668 -22.006 1.00 2.30 H new ATOM 0 HB VAL A 52 2.029 -1.507 -22.221 1.00 32.13 H new ATOM 0 HG11 VAL A 52 2.681 -2.388 -24.423 1.00 64.43 H new ATOM 0 HG12 VAL A 52 1.572 -3.490 -23.572 1.00 64.43 H new ATOM 0 HG13 VAL A 52 0.967 -2.465 -24.896 1.00 64.43 H new ATOM 0 HG21 VAL A 52 2.543 0.052 -24.055 1.00 60.34 H new ATOM 0 HG22 VAL A 52 0.823 0.075 -24.512 1.00 60.34 H new ATOM 0 HG23 VAL A 52 1.334 0.724 -22.936 1.00 60.34 H new ATOM 836 N ASP A 53 -1.186 -3.072 -24.098 1.00 35.13 N ATOM 837 CA ASP A 53 -2.060 -3.430 -25.210 1.00 3.54 C ATOM 838 C ASP A 53 -3.526 -3.243 -24.831 1.00 43.20 C ATOM 839 O ASP A 53 -4.258 -2.502 -25.487 1.00 44.31 O ATOM 840 CB ASP A 53 -1.811 -4.877 -25.637 1.00 3.14 C ATOM 841 CG ASP A 53 -1.858 -5.053 -27.142 1.00 14.13 C ATOM 842 OD1 ASP A 53 -2.162 -4.067 -27.845 1.00 40.44 O ATOM 843 OD2 ASP A 53 -1.591 -6.177 -27.616 1.00 14.40 O ATOM 0 H ASP A 53 -0.709 -3.863 -23.665 1.00 35.13 H new ATOM 0 HA ASP A 53 -1.833 -2.769 -26.046 1.00 3.54 H new ATOM 0 HB2 ASP A 53 -0.838 -5.200 -25.267 1.00 3.14 H new ATOM 0 HB3 ASP A 53 -2.558 -5.523 -25.175 1.00 3.14 H new ATOM 848 N VAL A 54 -3.948 -3.921 -23.769 1.00 34.12 N ATOM 849 CA VAL A 54 -5.327 -3.830 -23.303 1.00 22.34 C ATOM 850 C VAL A 54 -5.715 -2.385 -23.013 1.00 3.35 C ATOM 851 O VAL A 54 -6.828 -1.958 -23.317 1.00 32.21 O ATOM 852 CB VAL A 54 -5.547 -4.674 -22.033 1.00 3.01 C ATOM 853 CG1 VAL A 54 -6.990 -4.567 -21.564 1.00 23.31 C ATOM 854 CG2 VAL A 54 -5.165 -6.125 -22.285 1.00 52.21 C ATOM 0 H VAL A 54 -3.355 -4.539 -23.215 1.00 34.12 H new ATOM 0 HA VAL A 54 -5.958 -4.219 -24.103 1.00 22.34 H new ATOM 0 HB VAL A 54 -4.904 -4.285 -21.243 1.00 3.01 H new ATOM 0 HG11 VAL A 54 -7.126 -5.170 -20.666 1.00 23.31 H new ATOM 0 HG12 VAL A 54 -7.224 -3.526 -21.341 1.00 23.31 H new ATOM 0 HG13 VAL A 54 -7.655 -4.929 -22.348 1.00 23.31 H new ATOM 0 HG21 VAL A 54 -5.327 -6.707 -21.377 1.00 52.21 H new ATOM 0 HG22 VAL A 54 -5.780 -6.529 -23.089 1.00 52.21 H new ATOM 0 HG23 VAL A 54 -4.114 -6.181 -22.569 1.00 52.21 H new ATOM 864 N GLN A 55 -4.788 -1.636 -22.423 1.00 32.22 N ATOM 865 CA GLN A 55 -5.034 -0.238 -22.091 1.00 41.45 C ATOM 866 C GLN A 55 -5.481 0.543 -23.323 1.00 0.11 C ATOM 867 O GLN A 55 -6.484 1.255 -23.288 1.00 60.42 O ATOM 868 CB GLN A 55 -3.774 0.397 -21.500 1.00 51.21 C ATOM 869 CG GLN A 55 -3.164 -0.407 -20.363 1.00 41.24 C ATOM 870 CD GLN A 55 -2.242 0.423 -19.491 1.00 72.41 C ATOM 871 OE1 GLN A 55 -2.545 1.570 -19.163 1.00 34.13 O ATOM 872 NE2 GLN A 55 -1.109 -0.155 -19.110 1.00 43.14 N ATOM 0 H GLN A 55 -3.861 -1.974 -22.166 1.00 32.22 H new ATOM 0 HA GLN A 55 -5.833 -0.201 -21.350 1.00 41.45 H new ATOM 0 HB2 GLN A 55 -3.032 0.515 -22.290 1.00 51.21 H new ATOM 0 HB3 GLN A 55 -4.016 1.396 -21.138 1.00 51.21 H new ATOM 0 HG2 GLN A 55 -3.962 -0.823 -19.748 1.00 41.24 H new ATOM 0 HG3 GLN A 55 -2.608 -1.249 -20.776 1.00 41.24 H new ATOM 0 HE21 GLN A 55 -0.898 -1.108 -19.405 1.00 43.14 H new ATOM 0 HE22 GLN A 55 -0.449 0.354 -18.522 1.00 43.14 H new ATOM 881 N ASN A 56 -4.729 0.405 -24.410 1.00 51.12 N ATOM 882 CA ASN A 56 -5.048 1.099 -25.653 1.00 22.31 C ATOM 883 C ASN A 56 -6.521 0.926 -26.010 1.00 61.31 C ATOM 884 O ASN A 56 -7.137 1.814 -26.599 1.00 3.52 O ATOM 885 CB ASN A 56 -4.170 0.576 -26.792 1.00 54.24 C ATOM 886 CG ASN A 56 -2.811 1.247 -26.830 1.00 11.42 C ATOM 887 OD1 ASN A 56 -2.696 2.454 -26.614 1.00 30.12 O ATOM 888 ND2 ASN A 56 -1.773 0.466 -27.105 1.00 51.34 N ATOM 0 H ASN A 56 -3.895 -0.181 -24.456 1.00 51.12 H new ATOM 0 HA ASN A 56 -4.850 2.161 -25.509 1.00 22.31 H new ATOM 0 HB2 ASN A 56 -4.038 -0.500 -26.680 1.00 54.24 H new ATOM 0 HB3 ASN A 56 -4.679 0.738 -27.742 1.00 54.24 H new ATOM 0 HD21 ASN A 56 -0.834 0.861 -27.144 1.00 51.34 H new ATOM 0 HD22 ASN A 56 -1.915 -0.529 -27.277 1.00 51.34 H new ATOM 895 N VAL A 57 -7.081 -0.225 -25.649 1.00 43.33 N ATOM 896 CA VAL A 57 -8.482 -0.514 -25.930 1.00 22.34 C ATOM 897 C VAL A 57 -9.392 0.560 -25.346 1.00 55.21 C ATOM 898 O VAL A 57 -10.353 0.990 -25.985 1.00 73.44 O ATOM 899 CB VAL A 57 -8.896 -1.886 -25.363 1.00 42.54 C ATOM 900 CG1 VAL A 57 -10.352 -2.181 -25.690 1.00 64.04 C ATOM 901 CG2 VAL A 57 -7.987 -2.980 -25.902 1.00 30.20 C ATOM 0 H VAL A 57 -6.586 -0.972 -25.162 1.00 43.33 H new ATOM 0 HA VAL A 57 -8.591 -0.529 -27.014 1.00 22.34 H new ATOM 0 HB VAL A 57 -8.791 -1.859 -24.278 1.00 42.54 H new ATOM 0 HG11 VAL A 57 -10.627 -3.154 -25.282 1.00 64.04 H new ATOM 0 HG12 VAL A 57 -10.987 -1.411 -25.251 1.00 64.04 H new ATOM 0 HG13 VAL A 57 -10.487 -2.190 -26.772 1.00 64.04 H new ATOM 0 HG21 VAL A 57 -8.293 -3.942 -25.492 1.00 30.20 H new ATOM 0 HG22 VAL A 57 -8.059 -3.010 -26.989 1.00 30.20 H new ATOM 0 HG23 VAL A 57 -6.957 -2.773 -25.612 1.00 30.20 H new ATOM 911 N CYS A 58 -9.084 0.992 -24.128 1.00 31.53 N ATOM 912 CA CYS A 58 -9.874 2.016 -23.456 1.00 41.41 C ATOM 913 C CYS A 58 -9.843 3.327 -24.238 1.00 24.41 C ATOM 914 O CYS A 58 -10.681 4.205 -24.032 1.00 64.14 O ATOM 915 CB CYS A 58 -9.351 2.244 -22.036 1.00 42.35 C ATOM 916 SG CYS A 58 -10.658 2.514 -20.797 1.00 31.43 S ATOM 0 H CYS A 58 -8.292 0.648 -23.586 1.00 31.53 H new ATOM 0 HA CYS A 58 -10.906 1.668 -23.404 1.00 41.41 H new ATOM 0 HB2 CYS A 58 -8.754 1.382 -21.737 1.00 42.35 H new ATOM 0 HB3 CYS A 58 -8.685 3.107 -22.040 1.00 42.35 H new ATOM 921 N PHE A 59 -8.870 3.450 -25.135 1.00 55.44 N ATOM 922 CA PHE A 59 -8.729 4.653 -25.948 1.00 1.00 C ATOM 923 C PHE A 59 -9.004 4.352 -27.418 1.00 73.52 C ATOM 924 O PHE A 59 -8.901 5.232 -28.272 1.00 73.42 O ATOM 925 CB PHE A 59 -7.324 5.238 -25.790 1.00 40.32 C ATOM 926 CG PHE A 59 -6.807 5.184 -24.381 1.00 42.01 C ATOM 927 CD1 PHE A 59 -7.505 5.791 -23.349 1.00 64.42 C ATOM 928 CD2 PHE A 59 -5.623 4.526 -24.088 1.00 51.04 C ATOM 929 CE1 PHE A 59 -7.030 5.743 -22.052 1.00 34.21 C ATOM 930 CE2 PHE A 59 -5.144 4.475 -22.793 1.00 31.52 C ATOM 931 CZ PHE A 59 -5.849 5.083 -21.773 1.00 74.12 C ATOM 0 H PHE A 59 -8.168 2.733 -25.317 1.00 55.44 H new ATOM 0 HA PHE A 59 -9.461 5.383 -25.602 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -6.638 4.696 -26.441 1.00 40.32 H new ATOM 0 HB3 PHE A 59 -7.331 6.275 -26.127 1.00 40.32 H new ATOM 0 HD1 PHE A 59 -8.430 6.307 -23.561 1.00 64.42 H new ATOM 0 HD2 PHE A 59 -5.068 4.047 -24.881 1.00 51.04 H new ATOM 0 HE1 PHE A 59 -7.582 6.221 -21.257 1.00 34.21 H new ATOM 0 HE2 PHE A 59 -4.219 3.960 -22.579 1.00 31.52 H new ATOM 0 HZ PHE A 59 -5.478 5.043 -20.760 1.00 74.12 H new ATOM 941 N GLN A 60 -9.354 3.102 -27.704 1.00 72.43 N ATOM 942 CA GLN A 60 -9.643 2.684 -29.071 1.00 31.50 C ATOM 943 C GLN A 60 -11.144 2.700 -29.340 1.00 13.35 C ATOM 944 O GLN A 60 -11.613 3.378 -30.254 1.00 23.24 O ATOM 945 CB GLN A 60 -9.083 1.284 -29.328 1.00 24.43 C ATOM 946 CG GLN A 60 -7.565 1.241 -29.409 1.00 52.22 C ATOM 947 CD GLN A 60 -7.067 0.530 -30.652 1.00 32.43 C ATOM 948 OE1 GLN A 60 -6.401 1.127 -31.498 1.00 31.50 O ATOM 949 NE2 GLN A 60 -7.388 -0.754 -30.768 1.00 0.31 N ATOM 0 H GLN A 60 -9.444 2.362 -27.008 1.00 72.43 H new ATOM 0 HA GLN A 60 -9.163 3.390 -29.748 1.00 31.50 H new ATOM 0 HB2 GLN A 60 -9.415 0.617 -28.532 1.00 24.43 H new ATOM 0 HB3 GLN A 60 -9.499 0.901 -30.260 1.00 24.43 H new ATOM 0 HG2 GLN A 60 -7.175 2.259 -29.397 1.00 52.22 H new ATOM 0 HG3 GLN A 60 -7.172 0.738 -28.525 1.00 52.22 H new ATOM 0 HE21 GLN A 60 -7.942 -1.209 -30.042 1.00 0.31 H new ATOM 0 HE22 GLN A 60 -7.080 -1.285 -31.583 1.00 0.31 H new ATOM 958 N GLU A 61 -11.893 1.950 -28.537 1.00 25.20 N ATOM 959 CA GLU A 61 -13.341 1.878 -28.690 1.00 1.41 C ATOM 960 C GLU A 61 -14.033 1.885 -27.330 1.00 24.13 C ATOM 961 O GLU A 61 -13.380 1.811 -26.288 1.00 75.40 O ATOM 962 CB GLU A 61 -13.733 0.620 -29.467 1.00 44.25 C ATOM 963 CG GLU A 61 -15.095 0.716 -30.133 1.00 71.52 C ATOM 964 CD GLU A 61 -15.443 2.132 -30.549 1.00 35.43 C ATOM 965 OE1 GLU A 61 -14.613 2.774 -31.225 1.00 60.50 O ATOM 966 OE2 GLU A 61 -16.548 2.598 -30.197 1.00 63.43 O ATOM 0 H GLU A 61 -11.521 1.384 -27.774 1.00 25.20 H new ATOM 0 HA GLU A 61 -13.665 2.756 -29.248 1.00 1.41 H new ATOM 0 HB2 GLU A 61 -12.978 0.424 -30.229 1.00 44.25 H new ATOM 0 HB3 GLU A 61 -13.729 -0.232 -28.788 1.00 44.25 H new ATOM 0 HG2 GLU A 61 -15.113 0.069 -31.010 1.00 71.52 H new ATOM 0 HG3 GLU A 61 -15.857 0.345 -29.448 1.00 71.52 H new ATOM 973 N LYS A 62 -15.358 1.975 -27.347 1.00 51.11 N ATOM 974 CA LYS A 62 -16.141 1.991 -26.117 1.00 23.11 C ATOM 975 C LYS A 62 -17.361 1.084 -26.237 1.00 15.31 C ATOM 976 O LYS A 62 -17.872 0.856 -27.334 1.00 33.15 O ATOM 977 CB LYS A 62 -16.583 3.419 -25.788 1.00 22.52 C ATOM 978 CG LYS A 62 -17.772 3.891 -26.606 1.00 61.02 C ATOM 979 CD LYS A 62 -17.343 4.391 -27.976 1.00 31.24 C ATOM 980 CE LYS A 62 -17.862 5.795 -28.244 1.00 52.01 C ATOM 981 NZ LYS A 62 -19.328 5.804 -28.506 1.00 71.21 N ATOM 0 H LYS A 62 -15.913 2.038 -28.200 1.00 51.11 H new ATOM 0 HA LYS A 62 -15.511 1.617 -25.310 1.00 23.11 H new ATOM 0 HB2 LYS A 62 -16.835 3.478 -24.729 1.00 22.52 H new ATOM 0 HB3 LYS A 62 -15.746 4.097 -25.955 1.00 22.52 H new ATOM 0 HG2 LYS A 62 -18.483 3.073 -26.722 1.00 61.02 H new ATOM 0 HG3 LYS A 62 -18.289 4.688 -26.072 1.00 61.02 H new ATOM 0 HD2 LYS A 62 -16.255 4.385 -28.042 1.00 31.24 H new ATOM 0 HD3 LYS A 62 -17.713 3.712 -28.745 1.00 31.24 H new ATOM 0 HE2 LYS A 62 -17.642 6.433 -27.388 1.00 52.01 H new ATOM 0 HE3 LYS A 62 -17.337 6.219 -29.100 1.00 52.01 H new ATOM 0 HZ1 LYS A 62 -19.643 6.779 -28.684 1.00 71.21 H new ATOM 0 HZ2 LYS A 62 -19.536 5.216 -29.338 1.00 71.21 H new ATOM 0 HZ3 LYS A 62 -19.831 5.423 -27.679 1.00 71.21 H new ATOM 995 N VAL A 63 -17.826 0.571 -25.102 1.00 23.10 N ATOM 996 CA VAL A 63 -18.988 -0.309 -25.080 1.00 13.51 C ATOM 997 C VAL A 63 -19.939 0.066 -23.948 1.00 70.43 C ATOM 998 O VAL A 63 -19.595 0.855 -23.068 1.00 24.33 O ATOM 999 CB VAL A 63 -18.574 -1.783 -24.921 1.00 24.33 C ATOM 1000 CG1 VAL A 63 -17.463 -2.135 -25.899 1.00 52.51 C ATOM 1001 CG2 VAL A 63 -18.142 -2.063 -23.489 1.00 73.51 C ATOM 0 H VAL A 63 -17.415 0.750 -24.186 1.00 23.10 H new ATOM 0 HA VAL A 63 -19.497 -0.185 -26.036 1.00 13.51 H new ATOM 0 HB VAL A 63 -19.436 -2.410 -25.147 1.00 24.33 H new ATOM 0 HG11 VAL A 63 -17.184 -3.181 -25.771 1.00 52.51 H new ATOM 0 HG12 VAL A 63 -17.812 -1.974 -26.919 1.00 52.51 H new ATOM 0 HG13 VAL A 63 -16.596 -1.502 -25.708 1.00 52.51 H new ATOM 0 HG21 VAL A 63 -17.853 -3.110 -23.394 1.00 73.51 H new ATOM 0 HG22 VAL A 63 -17.294 -1.428 -23.234 1.00 73.51 H new ATOM 0 HG23 VAL A 63 -18.970 -1.853 -22.812 1.00 73.51 H new ATOM 1011 N THR A 64 -21.139 -0.506 -23.977 1.00 62.50 N ATOM 1012 CA THR A 64 -22.141 -0.233 -22.954 1.00 65.15 C ATOM 1013 C THR A 64 -22.049 -1.238 -21.812 1.00 61.53 C ATOM 1014 O THR A 64 -21.290 -2.206 -21.882 1.00 41.42 O ATOM 1015 CB THR A 64 -23.565 -0.267 -23.540 1.00 42.00 C ATOM 1016 OG1 THR A 64 -23.506 -0.281 -24.971 1.00 31.33 O ATOM 1017 CG2 THR A 64 -24.371 0.935 -23.072 1.00 41.45 C ATOM 0 H THR A 64 -21.440 -1.161 -24.698 1.00 62.50 H new ATOM 0 HA THR A 64 -21.937 0.767 -22.571 1.00 65.15 H new ATOM 0 HB THR A 64 -24.057 -1.174 -23.189 1.00 42.00 H new ATOM 0 HG1 THR A 64 -24.415 -0.304 -25.336 1.00 31.33 H new ATOM 0 HG21 THR A 64 -25.373 0.890 -23.499 1.00 41.45 H new ATOM 0 HG22 THR A 64 -24.439 0.926 -21.984 1.00 41.45 H new ATOM 0 HG23 THR A 64 -23.879 1.852 -23.398 1.00 41.45 H new ATOM 1025 N CYS A 65 -22.827 -1.005 -20.761 1.00 10.22 N ATOM 1026 CA CYS A 65 -22.834 -1.890 -19.603 1.00 33.15 C ATOM 1027 C CYS A 65 -24.223 -1.951 -18.973 1.00 72.02 C ATOM 1028 O CYS A 65 -25.063 -1.082 -19.209 1.00 3.34 O ATOM 1029 CB CYS A 65 -21.813 -1.417 -18.566 1.00 51.12 C ATOM 1030 SG CYS A 65 -20.172 -2.191 -18.732 1.00 14.10 S ATOM 0 H CYS A 65 -23.462 -0.210 -20.687 1.00 10.22 H new ATOM 0 HA CYS A 65 -22.562 -2.890 -19.941 1.00 33.15 H new ATOM 0 HB2 CYS A 65 -21.703 -0.336 -18.647 1.00 51.12 H new ATOM 0 HB3 CYS A 65 -22.201 -1.624 -17.569 1.00 51.12 H new ATOM 1035 N LYS A 66 -24.458 -2.984 -18.171 1.00 54.02 N ATOM 1036 CA LYS A 66 -25.744 -3.159 -17.506 1.00 22.43 C ATOM 1037 C LYS A 66 -26.342 -1.812 -17.114 1.00 73.05 C ATOM 1038 O LYS A 66 -27.413 -1.436 -17.591 1.00 24.24 O ATOM 1039 CB LYS A 66 -25.582 -4.038 -16.263 1.00 53.20 C ATOM 1040 CG LYS A 66 -25.780 -5.519 -16.535 1.00 42.03 C ATOM 1041 CD LYS A 66 -26.589 -6.185 -15.435 1.00 60.22 C ATOM 1042 CE LYS A 66 -25.922 -7.463 -14.949 1.00 15.12 C ATOM 1043 NZ LYS A 66 -26.884 -8.598 -14.878 1.00 11.34 N ATOM 0 H LYS A 66 -23.775 -3.713 -17.966 1.00 54.02 H new ATOM 0 HA LYS A 66 -26.423 -3.648 -18.205 1.00 22.43 H new ATOM 0 HB2 LYS A 66 -24.587 -3.884 -15.846 1.00 53.20 H new ATOM 0 HB3 LYS A 66 -26.298 -3.717 -15.506 1.00 53.20 H new ATOM 0 HG2 LYS A 66 -26.287 -5.650 -17.491 1.00 42.03 H new ATOM 0 HG3 LYS A 66 -24.809 -6.007 -16.620 1.00 42.03 H new ATOM 0 HD2 LYS A 66 -26.707 -5.495 -14.600 1.00 60.22 H new ATOM 0 HD3 LYS A 66 -27.589 -6.413 -15.804 1.00 60.22 H new ATOM 0 HE2 LYS A 66 -25.103 -7.723 -15.619 1.00 15.12 H new ATOM 0 HE3 LYS A 66 -25.487 -7.294 -13.964 1.00 15.12 H new ATOM 0 HZ1 LYS A 66 -26.391 -9.450 -14.543 1.00 11.34 H new ATOM 0 HZ2 LYS A 66 -27.653 -8.361 -14.219 1.00 11.34 H new ATOM 0 HZ3 LYS A 66 -27.281 -8.777 -15.823 1.00 11.34 H new ATOM 1057 N ASN A 67 -25.643 -1.089 -16.245 1.00 73.05 N ATOM 1058 CA ASN A 67 -26.106 0.217 -15.791 1.00 41.44 C ATOM 1059 C ASN A 67 -26.244 1.183 -16.964 1.00 53.42 C ATOM 1060 O ASN A 67 -27.096 2.071 -16.954 1.00 75.41 O ATOM 1061 CB ASN A 67 -25.139 0.792 -14.754 1.00 63.14 C ATOM 1062 CG ASN A 67 -25.558 2.167 -14.272 1.00 34.14 C ATOM 1063 OD1 ASN A 67 -26.745 2.494 -14.249 1.00 72.41 O ATOM 1064 ND2 ASN A 67 -24.583 2.980 -13.883 1.00 14.33 N ATOM 0 H ASN A 67 -24.754 -1.385 -15.841 1.00 73.05 H new ATOM 0 HA ASN A 67 -27.086 0.088 -15.332 1.00 41.44 H new ATOM 0 HB2 ASN A 67 -25.079 0.114 -13.902 1.00 63.14 H new ATOM 0 HB3 ASN A 67 -24.140 0.850 -15.186 1.00 63.14 H new ATOM 0 HD21 ASN A 67 -24.804 3.918 -13.548 1.00 14.33 H new ATOM 0 HD22 ASN A 67 -23.613 2.667 -13.919 1.00 14.33 H new ATOM 1071 N GLY A 68 -25.400 1.003 -17.975 1.00 45.31 N ATOM 1072 CA GLY A 68 -25.444 1.865 -19.142 1.00 12.43 C ATOM 1073 C GLY A 68 -24.347 2.911 -19.132 1.00 11.40 C ATOM 1074 O GLY A 68 -24.528 4.013 -19.649 1.00 43.25 O ATOM 0 H GLY A 68 -24.686 0.275 -18.007 1.00 45.31 H new ATOM 0 HA2 GLY A 68 -25.354 1.257 -20.042 1.00 12.43 H new ATOM 0 HA3 GLY A 68 -26.414 2.360 -19.188 1.00 12.43 H new ATOM 1078 N GLN A 69 -23.208 2.566 -18.541 1.00 0.44 N ATOM 1079 CA GLN A 69 -22.079 3.486 -18.464 1.00 22.32 C ATOM 1080 C GLN A 69 -20.984 3.087 -19.448 1.00 73.13 C ATOM 1081 O GLN A 69 -20.922 1.941 -19.893 1.00 14.44 O ATOM 1082 CB GLN A 69 -21.515 3.517 -17.042 1.00 54.30 C ATOM 1083 CG GLN A 69 -22.550 3.870 -15.985 1.00 70.44 C ATOM 1084 CD GLN A 69 -22.594 5.355 -15.684 1.00 21.42 C ATOM 1085 OE1 GLN A 69 -21.678 5.903 -15.070 1.00 65.53 O ATOM 1086 NE2 GLN A 69 -23.662 6.015 -16.115 1.00 12.14 N ATOM 0 H GLN A 69 -23.042 1.657 -18.109 1.00 0.44 H new ATOM 0 HA GLN A 69 -22.436 4.482 -18.728 1.00 22.32 H new ATOM 0 HB2 GLN A 69 -21.087 2.542 -16.808 1.00 54.30 H new ATOM 0 HB3 GLN A 69 -20.701 4.241 -16.998 1.00 54.30 H new ATOM 0 HG2 GLN A 69 -23.534 3.542 -16.321 1.00 70.44 H new ATOM 0 HG3 GLN A 69 -22.328 3.324 -15.068 1.00 70.44 H new ATOM 0 HE21 GLN A 69 -24.398 5.521 -16.620 1.00 12.14 H new ATOM 0 HE22 GLN A 69 -23.747 7.016 -15.941 1.00 12.14 H new ATOM 1095 N GLY A 70 -20.122 4.041 -19.786 1.00 1.23 N ATOM 1096 CA GLY A 70 -19.042 3.770 -20.716 1.00 23.31 C ATOM 1097 C GLY A 70 -17.761 3.362 -20.015 1.00 34.54 C ATOM 1098 O GLY A 70 -16.668 3.739 -20.434 1.00 55.33 O ATOM 0 H GLY A 70 -20.153 4.997 -19.432 1.00 1.23 H new ATOM 0 HA2 GLY A 70 -19.346 2.978 -21.400 1.00 23.31 H new ATOM 0 HA3 GLY A 70 -18.855 4.658 -21.320 1.00 23.31 H new ATOM 1102 N ASN A 71 -17.897 2.589 -18.942 1.00 23.23 N ATOM 1103 CA ASN A 71 -16.741 2.131 -18.179 1.00 11.12 C ATOM 1104 C ASN A 71 -16.154 0.863 -18.790 1.00 65.31 C ATOM 1105 O ASN A 71 -15.076 0.413 -18.398 1.00 74.31 O ATOM 1106 CB ASN A 71 -17.134 1.874 -16.723 1.00 34.03 C ATOM 1107 CG ASN A 71 -17.801 0.525 -16.533 1.00 40.04 C ATOM 1108 OD1 ASN A 71 -18.994 0.445 -16.240 1.00 51.54 O ATOM 1109 ND2 ASN A 71 -17.031 -0.544 -16.700 1.00 41.12 N ATOM 0 H ASN A 71 -18.795 2.267 -18.582 1.00 23.23 H new ATOM 0 HA ASN A 71 -15.983 2.913 -18.211 1.00 11.12 H new ATOM 0 HB2 ASN A 71 -16.245 1.928 -16.095 1.00 34.03 H new ATOM 0 HB3 ASN A 71 -17.810 2.661 -16.388 1.00 34.03 H new ATOM 0 HD21 ASN A 71 -17.424 -1.478 -16.586 1.00 41.12 H new ATOM 0 HD22 ASN A 71 -16.047 -0.431 -16.943 1.00 41.12 H new ATOM 1116 N CYS A 72 -16.868 0.291 -19.753 1.00 72.33 N ATOM 1117 CA CYS A 72 -16.419 -0.925 -20.420 1.00 71.40 C ATOM 1118 C CYS A 72 -16.029 -0.640 -21.868 1.00 33.05 C ATOM 1119 O CYS A 72 -16.578 0.261 -22.503 1.00 61.52 O ATOM 1120 CB CYS A 72 -17.516 -1.991 -20.376 1.00 52.13 C ATOM 1121 SG CYS A 72 -19.203 -1.316 -20.244 1.00 71.11 S ATOM 0 H CYS A 72 -17.761 0.651 -20.089 1.00 72.33 H new ATOM 0 HA CYS A 72 -15.540 -1.295 -19.892 1.00 71.40 H new ATOM 0 HB2 CYS A 72 -17.450 -2.602 -21.276 1.00 52.13 H new ATOM 0 HB3 CYS A 72 -17.333 -2.651 -19.528 1.00 52.13 H new ATOM 1126 N TYR A 73 -15.079 -1.413 -22.382 1.00 34.12 N ATOM 1127 CA TYR A 73 -14.614 -1.243 -23.753 1.00 55.32 C ATOM 1128 C TYR A 73 -14.159 -2.574 -24.343 1.00 40.23 C ATOM 1129 O TYR A 73 -13.835 -3.512 -23.615 1.00 13.15 O ATOM 1130 CB TYR A 73 -13.468 -0.231 -23.803 1.00 73.04 C ATOM 1131 CG TYR A 73 -13.605 0.889 -22.796 1.00 65.35 C ATOM 1132 CD1 TYR A 73 -13.455 0.649 -21.436 1.00 64.33 C ATOM 1133 CD2 TYR A 73 -13.882 2.187 -23.206 1.00 13.22 C ATOM 1134 CE1 TYR A 73 -13.579 1.669 -20.513 1.00 30.40 C ATOM 1135 CE2 TYR A 73 -14.007 3.214 -22.290 1.00 21.34 C ATOM 1136 CZ TYR A 73 -13.855 2.949 -20.944 1.00 41.35 C ATOM 1137 OH TYR A 73 -13.978 3.968 -20.028 1.00 12.31 O ATOM 0 H TYR A 73 -14.616 -2.164 -21.870 1.00 34.12 H new ATOM 0 HA TYR A 73 -15.447 -0.869 -24.349 1.00 55.32 H new ATOM 0 HB2 TYR A 73 -12.527 -0.752 -23.629 1.00 73.04 H new ATOM 0 HB3 TYR A 73 -13.415 0.196 -24.804 1.00 73.04 H new ATOM 0 HD1 TYR A 73 -13.238 -0.352 -21.095 1.00 64.33 H new ATOM 0 HD2 TYR A 73 -14.002 2.397 -24.259 1.00 13.22 H new ATOM 0 HE1 TYR A 73 -13.460 1.465 -19.459 1.00 30.40 H new ATOM 0 HE2 TYR A 73 -14.222 4.218 -22.625 1.00 21.34 H new ATOM 0 HH TYR A 73 -13.158 4.029 -19.495 1.00 12.31 H new ATOM 1147 N LYS A 74 -14.136 -2.648 -25.670 1.00 21.33 N ATOM 1148 CA LYS A 74 -13.719 -3.862 -26.361 1.00 64.32 C ATOM 1149 C LYS A 74 -12.453 -3.616 -27.176 1.00 70.54 C ATOM 1150 O LYS A 74 -12.314 -2.581 -27.828 1.00 34.31 O ATOM 1151 CB LYS A 74 -14.838 -4.363 -27.276 1.00 73.14 C ATOM 1152 CG LYS A 74 -15.929 -5.123 -26.543 1.00 33.55 C ATOM 1153 CD LYS A 74 -16.757 -5.969 -27.496 1.00 32.24 C ATOM 1154 CE LYS A 74 -18.047 -6.444 -26.843 1.00 44.41 C ATOM 1155 NZ LYS A 74 -19.210 -6.330 -27.766 1.00 2.31 N ATOM 0 H LYS A 74 -14.401 -1.881 -26.288 1.00 21.33 H new ATOM 0 HA LYS A 74 -13.505 -4.622 -25.610 1.00 64.32 H new ATOM 0 HB2 LYS A 74 -15.283 -3.512 -27.791 1.00 73.14 H new ATOM 0 HB3 LYS A 74 -14.408 -5.009 -28.041 1.00 73.14 H new ATOM 0 HG2 LYS A 74 -15.480 -5.763 -25.783 1.00 33.55 H new ATOM 0 HG3 LYS A 74 -16.578 -4.418 -26.023 1.00 33.55 H new ATOM 0 HD2 LYS A 74 -16.992 -5.389 -28.389 1.00 32.24 H new ATOM 0 HD3 LYS A 74 -16.173 -6.831 -27.820 1.00 32.24 H new ATOM 0 HE2 LYS A 74 -17.934 -7.481 -26.528 1.00 44.41 H new ATOM 0 HE3 LYS A 74 -18.237 -5.857 -25.945 1.00 44.41 H new ATOM 0 HZ1 LYS A 74 -20.069 -6.663 -27.284 1.00 2.31 H new ATOM 0 HZ2 LYS A 74 -19.334 -5.336 -28.047 1.00 2.31 H new ATOM 0 HZ3 LYS A 74 -19.040 -6.911 -28.612 1.00 2.31 H new ATOM 1169 N SER A 75 -11.533 -4.575 -27.137 1.00 32.25 N ATOM 1170 CA SER A 75 -10.278 -4.461 -27.870 1.00 30.20 C ATOM 1171 C SER A 75 -10.528 -4.448 -29.375 1.00 44.40 C ATOM 1172 O SER A 75 -11.180 -5.340 -29.915 1.00 64.11 O ATOM 1173 CB SER A 75 -9.344 -5.617 -27.507 1.00 20.21 C ATOM 1174 OG SER A 75 -9.842 -6.849 -28.000 1.00 22.15 O ATOM 0 H SER A 75 -11.634 -5.440 -26.605 1.00 32.25 H new ATOM 0 HA SER A 75 -9.806 -3.520 -27.589 1.00 30.20 H new ATOM 0 HB2 SER A 75 -8.352 -5.431 -27.919 1.00 20.21 H new ATOM 0 HB3 SER A 75 -9.233 -5.673 -26.424 1.00 20.21 H new ATOM 0 HG SER A 75 -9.233 -7.197 -28.684 1.00 22.15 H new ATOM 1180 N ASN A 76 -10.003 -3.427 -30.046 1.00 73.21 N ATOM 1181 CA ASN A 76 -10.169 -3.295 -31.489 1.00 71.51 C ATOM 1182 C ASN A 76 -9.348 -4.347 -32.229 1.00 44.43 C ATOM 1183 O ASN A 76 -9.350 -4.398 -33.459 1.00 62.12 O ATOM 1184 CB ASN A 76 -9.756 -1.895 -31.945 1.00 42.32 C ATOM 1185 CG ASN A 76 -10.832 -1.213 -32.767 1.00 75.23 C ATOM 1186 OD1 ASN A 76 -10.611 -0.851 -33.923 1.00 3.22 O ATOM 1187 ND2 ASN A 76 -12.007 -1.035 -32.173 1.00 63.31 N ATOM 0 H ASN A 76 -9.460 -2.680 -29.614 1.00 73.21 H new ATOM 0 HA ASN A 76 -11.222 -3.450 -31.725 1.00 71.51 H new ATOM 0 HB2 ASN A 76 -9.528 -1.284 -31.072 1.00 42.32 H new ATOM 0 HB3 ASN A 76 -8.841 -1.963 -32.534 1.00 42.32 H new ATOM 0 HD21 ASN A 76 -12.770 -0.583 -32.677 1.00 63.31 H new ATOM 0 HD22 ASN A 76 -12.146 -1.351 -31.213 1.00 63.31 H new ATOM 1194 N SER A 77 -8.646 -5.183 -31.471 1.00 73.42 N ATOM 1195 CA SER A 77 -7.817 -6.232 -32.055 1.00 14.43 C ATOM 1196 C SER A 77 -7.753 -7.448 -31.136 1.00 10.10 C ATOM 1197 O SER A 77 -7.637 -7.314 -29.918 1.00 31.12 O ATOM 1198 CB SER A 77 -6.406 -5.705 -32.322 1.00 70.35 C ATOM 1199 OG SER A 77 -6.092 -4.626 -31.459 1.00 61.24 O ATOM 0 H SER A 77 -8.634 -5.155 -30.451 1.00 73.42 H new ATOM 0 HA SER A 77 -8.269 -6.536 -32.999 1.00 14.43 H new ATOM 0 HB2 SER A 77 -5.682 -6.508 -32.183 1.00 70.35 H new ATOM 0 HB3 SER A 77 -6.326 -5.380 -33.359 1.00 70.35 H new ATOM 0 HG SER A 77 -5.184 -4.309 -31.649 1.00 61.24 H new ATOM 1205 N SER A 78 -7.829 -8.635 -31.730 1.00 13.24 N ATOM 1206 CA SER A 78 -7.784 -9.876 -30.966 1.00 3.15 C ATOM 1207 C SER A 78 -6.572 -9.899 -30.039 1.00 22.21 C ATOM 1208 O SER A 78 -5.538 -9.302 -30.337 1.00 22.22 O ATOM 1209 CB SER A 78 -7.741 -11.079 -31.909 1.00 74.33 C ATOM 1210 OG SER A 78 -6.624 -11.007 -32.778 1.00 53.02 O ATOM 0 H SER A 78 -7.922 -8.763 -32.738 1.00 13.24 H new ATOM 0 HA SER A 78 -8.687 -9.932 -30.358 1.00 3.15 H new ATOM 0 HB2 SER A 78 -7.694 -11.999 -31.327 1.00 74.33 H new ATOM 0 HB3 SER A 78 -8.659 -11.119 -32.495 1.00 74.33 H new ATOM 0 HG SER A 78 -6.619 -11.788 -33.369 1.00 53.02 H new ATOM 1216 N MET A 79 -6.708 -10.593 -28.914 1.00 35.22 N ATOM 1217 CA MET A 79 -5.625 -10.696 -27.943 1.00 42.04 C ATOM 1218 C MET A 79 -5.546 -12.105 -27.364 1.00 0.35 C ATOM 1219 O MET A 79 -6.567 -12.710 -27.036 1.00 72.02 O ATOM 1220 CB MET A 79 -5.821 -9.679 -26.818 1.00 14.23 C ATOM 1221 CG MET A 79 -5.000 -8.412 -26.993 1.00 54.44 C ATOM 1222 SD MET A 79 -6.020 -6.966 -27.343 1.00 71.21 S ATOM 1223 CE MET A 79 -5.579 -5.901 -25.972 1.00 72.22 C ATOM 0 H MET A 79 -7.558 -11.093 -28.652 1.00 35.22 H new ATOM 0 HA MET A 79 -4.688 -10.481 -28.457 1.00 42.04 H new ATOM 0 HB2 MET A 79 -6.876 -9.413 -26.760 1.00 14.23 H new ATOM 0 HB3 MET A 79 -5.557 -10.145 -25.869 1.00 14.23 H new ATOM 0 HG2 MET A 79 -4.420 -8.232 -26.088 1.00 54.44 H new ATOM 0 HG3 MET A 79 -4.288 -8.555 -27.806 1.00 54.44 H new ATOM 0 HE1 MET A 79 -6.392 -5.887 -25.246 1.00 72.22 H new ATOM 0 HE2 MET A 79 -4.673 -6.277 -25.496 1.00 72.22 H new ATOM 0 HE3 MET A 79 -5.403 -4.890 -26.339 1.00 72.22 H new ATOM 1233 N HIS A 80 -4.328 -12.621 -27.239 1.00 64.53 N ATOM 1234 CA HIS A 80 -4.116 -13.959 -26.698 1.00 72.54 C ATOM 1235 C HIS A 80 -4.697 -14.075 -25.292 1.00 44.11 C ATOM 1236 O HIS A 80 -4.559 -13.162 -24.477 1.00 32.31 O ATOM 1237 CB HIS A 80 -2.624 -14.294 -26.676 1.00 54.30 C ATOM 1238 CG HIS A 80 -1.887 -13.826 -27.893 1.00 14.41 C ATOM 1239 ND1 HIS A 80 -0.518 -13.664 -27.928 1.00 74.31 N ATOM 1240 CD2 HIS A 80 -2.337 -13.485 -29.124 1.00 4.05 C ATOM 1241 CE1 HIS A 80 -0.158 -13.243 -29.127 1.00 64.10 C ATOM 1242 NE2 HIS A 80 -1.242 -13.127 -29.872 1.00 13.43 N ATOM 0 H HIS A 80 -3.473 -12.133 -27.505 1.00 64.53 H new ATOM 0 HA HIS A 80 -4.630 -14.671 -27.344 1.00 72.54 H new ATOM 0 HB2 HIS A 80 -2.172 -13.844 -25.792 1.00 54.30 H new ATOM 0 HB3 HIS A 80 -2.504 -15.373 -26.581 1.00 54.30 H new ATOM 0 HD2 HIS A 80 -3.365 -13.493 -29.456 1.00 4.05 H new ATOM 0 HE1 HIS A 80 0.852 -13.030 -29.444 1.00 64.10 H new ATOM 0 HE2 HIS A 80 -1.263 -12.821 -30.845 1.00 13.43 H new ATOM 1250 N ILE A 81 -5.345 -15.201 -25.016 1.00 34.13 N ATOM 1251 CA ILE A 81 -5.946 -15.435 -23.708 1.00 41.13 C ATOM 1252 C ILE A 81 -6.109 -16.927 -23.437 1.00 54.42 C ATOM 1253 O ILE A 81 -5.986 -17.751 -24.343 1.00 71.45 O ATOM 1254 CB ILE A 81 -7.320 -14.749 -23.589 1.00 61.42 C ATOM 1255 CG1 ILE A 81 -8.328 -15.411 -24.531 1.00 21.41 C ATOM 1256 CG2 ILE A 81 -7.199 -13.264 -23.894 1.00 2.32 C ATOM 1257 CD1 ILE A 81 -8.207 -14.950 -25.966 1.00 52.34 C ATOM 0 H ILE A 81 -5.468 -15.966 -25.680 1.00 34.13 H new ATOM 0 HA ILE A 81 -5.270 -15.006 -22.968 1.00 41.13 H new ATOM 0 HB ILE A 81 -7.678 -14.862 -22.566 1.00 61.42 H new ATOM 0 HG12 ILE A 81 -8.193 -16.492 -24.493 1.00 21.41 H new ATOM 0 HG13 ILE A 81 -9.337 -15.203 -24.175 1.00 21.41 H new ATOM 0 HG21 ILE A 81 -8.178 -12.793 -23.806 1.00 2.32 H new ATOM 0 HG22 ILE A 81 -6.510 -12.802 -23.187 1.00 2.32 H new ATOM 0 HG23 ILE A 81 -6.822 -13.130 -24.908 1.00 2.32 H new ATOM 0 HD11 ILE A 81 -8.952 -15.461 -26.576 1.00 52.34 H new ATOM 0 HD12 ILE A 81 -8.371 -13.874 -26.017 1.00 52.34 H new ATOM 0 HD13 ILE A 81 -7.210 -15.183 -26.340 1.00 52.34 H new ATOM 1269 N THR A 82 -6.390 -17.268 -22.183 1.00 43.51 N ATOM 1270 CA THR A 82 -6.571 -18.660 -21.792 1.00 12.31 C ATOM 1271 C THR A 82 -7.824 -18.833 -20.941 1.00 53.14 C ATOM 1272 O THR A 82 -7.983 -18.176 -19.912 1.00 72.22 O ATOM 1273 CB THR A 82 -5.355 -19.186 -21.007 1.00 1.33 C ATOM 1274 OG1 THR A 82 -4.174 -19.088 -21.810 1.00 64.53 O ATOM 1275 CG2 THR A 82 -5.568 -20.631 -20.583 1.00 13.02 C ATOM 0 H THR A 82 -6.497 -16.599 -21.421 1.00 43.51 H new ATOM 0 HA THR A 82 -6.677 -19.235 -22.712 1.00 12.31 H new ATOM 0 HB THR A 82 -5.237 -18.575 -20.112 1.00 1.33 H new ATOM 0 HG1 THR A 82 -3.405 -18.883 -21.238 1.00 64.53 H new ATOM 0 HG21 THR A 82 -4.696 -20.980 -20.030 1.00 13.02 H new ATOM 0 HG22 THR A 82 -6.451 -20.697 -19.947 1.00 13.02 H new ATOM 0 HG23 THR A 82 -5.710 -21.252 -21.467 1.00 13.02 H new ATOM 1283 N ASP A 83 -8.711 -19.721 -21.377 1.00 52.42 N ATOM 1284 CA ASP A 83 -9.951 -19.982 -20.654 1.00 45.52 C ATOM 1285 C ASP A 83 -9.711 -20.945 -19.496 1.00 34.10 C ATOM 1286 O ASP A 83 -9.124 -22.013 -19.674 1.00 14.12 O ATOM 1287 CB ASP A 83 -11.007 -20.554 -21.600 1.00 51.03 C ATOM 1288 CG ASP A 83 -12.402 -20.050 -21.284 1.00 24.23 C ATOM 1289 OD1 ASP A 83 -12.772 -20.040 -20.091 1.00 62.23 O ATOM 1290 OD2 ASP A 83 -13.123 -19.667 -22.229 1.00 10.25 O ATOM 0 H ASP A 83 -8.595 -20.272 -22.227 1.00 52.42 H new ATOM 0 HA ASP A 83 -10.313 -19.037 -20.248 1.00 45.52 H new ATOM 0 HB2 ASP A 83 -10.752 -20.290 -22.626 1.00 51.03 H new ATOM 0 HB3 ASP A 83 -10.994 -21.642 -21.538 1.00 51.03 H new ATOM 1295 N CYS A 84 -10.169 -20.561 -18.309 1.00 42.31 N ATOM 1296 CA CYS A 84 -10.004 -21.389 -17.121 1.00 10.13 C ATOM 1297 C CYS A 84 -11.331 -21.556 -16.386 1.00 21.01 C ATOM 1298 O CYS A 84 -11.775 -20.656 -15.673 1.00 31.11 O ATOM 1299 CB CYS A 84 -8.964 -20.772 -16.184 1.00 2.33 C ATOM 1300 SG CYS A 84 -7.346 -20.468 -16.965 1.00 74.20 S ATOM 0 H CYS A 84 -10.658 -19.681 -18.145 1.00 42.31 H new ATOM 0 HA CYS A 84 -9.658 -22.373 -17.439 1.00 10.13 H new ATOM 0 HB2 CYS A 84 -9.352 -19.829 -15.798 1.00 2.33 H new ATOM 0 HB3 CYS A 84 -8.824 -21.433 -15.329 1.00 2.33 H new ATOM 1305 N ARG A 85 -11.958 -22.714 -16.565 1.00 54.22 N ATOM 1306 CA ARG A 85 -13.235 -22.999 -15.920 1.00 44.05 C ATOM 1307 C ARG A 85 -13.200 -24.355 -15.222 1.00 23.20 C ATOM 1308 O ARG A 85 -12.649 -25.323 -15.749 1.00 2.14 O ATOM 1309 CB ARG A 85 -14.367 -22.972 -16.949 1.00 0.23 C ATOM 1310 CG ARG A 85 -15.692 -23.487 -16.410 1.00 4.44 C ATOM 1311 CD ARG A 85 -16.855 -23.059 -17.290 1.00 73.22 C ATOM 1312 NE ARG A 85 -17.202 -24.082 -18.274 1.00 0.15 N ATOM 1313 CZ ARG A 85 -17.694 -25.273 -17.952 1.00 62.45 C ATOM 1314 NH1 ARG A 85 -17.896 -25.590 -16.681 1.00 70.00 N ATOM 1315 NH2 ARG A 85 -17.985 -26.151 -18.904 1.00 42.24 N ATOM 0 H ARG A 85 -11.603 -23.470 -17.151 1.00 54.22 H new ATOM 0 HA ARG A 85 -13.416 -22.228 -15.171 1.00 44.05 H new ATOM 0 HB2 ARG A 85 -14.501 -21.950 -17.303 1.00 0.23 H new ATOM 0 HB3 ARG A 85 -14.077 -23.572 -17.811 1.00 0.23 H new ATOM 0 HG2 ARG A 85 -15.663 -24.575 -16.348 1.00 4.44 H new ATOM 0 HG3 ARG A 85 -15.844 -23.114 -15.397 1.00 4.44 H new ATOM 0 HD2 ARG A 85 -17.723 -22.847 -16.666 1.00 73.22 H new ATOM 0 HD3 ARG A 85 -16.599 -22.133 -17.805 1.00 73.22 H new ATOM 0 HE ARG A 85 -17.059 -23.870 -19.261 1.00 0.15 H new ATOM 0 HH11 ARG A 85 -17.673 -24.918 -15.946 1.00 70.00 H new ATOM 0 HH12 ARG A 85 -18.274 -26.506 -16.438 1.00 70.00 H new ATOM 0 HH21 ARG A 85 -17.831 -25.911 -19.883 1.00 42.24 H new ATOM 0 HH22 ARG A 85 -18.363 -27.065 -18.656 1.00 42.24 H new ATOM 1329 N LEU A 86 -13.791 -24.418 -14.034 1.00 24.11 N ATOM 1330 CA LEU A 86 -13.827 -25.656 -13.262 1.00 51.42 C ATOM 1331 C LEU A 86 -14.367 -26.807 -14.104 1.00 54.25 C ATOM 1332 O LEU A 86 -15.477 -26.737 -14.634 1.00 12.44 O ATOM 1333 CB LEU A 86 -14.690 -25.475 -12.012 1.00 3.21 C ATOM 1334 CG LEU A 86 -13.935 -25.226 -10.706 1.00 4.52 C ATOM 1335 CD1 LEU A 86 -14.896 -25.210 -9.528 1.00 14.41 C ATOM 1336 CD2 LEU A 86 -12.857 -26.281 -10.503 1.00 13.01 C ATOM 0 H LEU A 86 -14.252 -23.627 -13.584 1.00 24.11 H new ATOM 0 HA LEU A 86 -12.808 -25.898 -12.961 1.00 51.42 H new ATOM 0 HB2 LEU A 86 -15.369 -24.639 -12.181 1.00 3.21 H new ATOM 0 HB3 LEU A 86 -15.306 -26.366 -11.888 1.00 3.21 H new ATOM 0 HG LEU A 86 -13.453 -24.250 -10.768 1.00 4.52 H new ATOM 0 HD11 LEU A 86 -14.340 -25.032 -8.607 1.00 14.41 H new ATOM 0 HD12 LEU A 86 -15.630 -24.417 -9.668 1.00 14.41 H new ATOM 0 HD13 LEU A 86 -15.407 -26.170 -9.463 1.00 14.41 H new ATOM 0 HD21 LEU A 86 -12.330 -26.088 -9.569 1.00 13.01 H new ATOM 0 HD22 LEU A 86 -13.317 -27.268 -10.463 1.00 13.01 H new ATOM 0 HD23 LEU A 86 -12.151 -26.244 -11.332 1.00 13.01 H new ATOM 1348 N THR A 87 -13.576 -27.869 -14.224 1.00 11.54 N ATOM 1349 CA THR A 87 -13.975 -29.036 -15.000 1.00 43.41 C ATOM 1350 C THR A 87 -14.272 -30.224 -14.093 1.00 65.31 C ATOM 1351 O THR A 87 -13.577 -30.450 -13.103 1.00 15.33 O ATOM 1352 CB THR A 87 -12.885 -29.436 -16.012 1.00 64.20 C ATOM 1353 OG1 THR A 87 -13.283 -30.615 -16.720 1.00 22.41 O ATOM 1354 CG2 THR A 87 -11.558 -29.684 -15.309 1.00 75.01 C ATOM 0 H THR A 87 -12.655 -27.944 -13.793 1.00 11.54 H new ATOM 0 HA THR A 87 -14.880 -28.762 -15.542 1.00 43.41 H new ATOM 0 HB THR A 87 -12.756 -28.615 -16.717 1.00 64.20 H new ATOM 0 HG1 THR A 87 -12.585 -30.862 -17.363 1.00 22.41 H new ATOM 0 HG21 THR A 87 -10.804 -29.965 -16.044 1.00 75.01 H new ATOM 0 HG22 THR A 87 -11.243 -28.776 -14.795 1.00 75.01 H new ATOM 0 HG23 THR A 87 -11.675 -30.489 -14.584 1.00 75.01 H new ATOM 1362 N ASN A 88 -15.307 -30.982 -14.439 1.00 30.42 N ATOM 1363 CA ASN A 88 -15.695 -32.149 -13.655 1.00 35.23 C ATOM 1364 C ASN A 88 -16.215 -31.734 -12.282 1.00 3.43 C ATOM 1365 O ASN A 88 -15.936 -32.387 -11.277 1.00 44.41 O ATOM 1366 CB ASN A 88 -14.508 -33.102 -13.497 1.00 15.43 C ATOM 1367 CG ASN A 88 -14.932 -34.481 -13.030 1.00 11.24 C ATOM 1368 OD1 ASN A 88 -14.974 -34.757 -11.831 1.00 11.55 O ATOM 1369 ND2 ASN A 88 -15.248 -35.355 -13.978 1.00 32.12 N ATOM 0 H ASN A 88 -15.892 -30.809 -15.257 1.00 30.42 H new ATOM 0 HA ASN A 88 -16.496 -32.663 -14.187 1.00 35.23 H new ATOM 0 HB2 ASN A 88 -13.986 -33.189 -14.450 1.00 15.43 H new ATOM 0 HB3 ASN A 88 -13.800 -32.681 -12.783 1.00 15.43 H new ATOM 0 HD21 ASN A 88 -15.540 -36.299 -13.725 1.00 32.12 H new ATOM 0 HD22 ASN A 88 -15.199 -35.083 -14.960 1.00 32.12 H new ATOM 1376 N GLY A 89 -16.973 -30.642 -12.247 1.00 51.11 N ATOM 1377 CA GLY A 89 -17.520 -30.158 -10.993 1.00 41.10 C ATOM 1378 C GLY A 89 -16.486 -30.123 -9.885 1.00 33.42 C ATOM 1379 O GLY A 89 -16.828 -30.206 -8.705 1.00 52.31 O ATOM 0 H GLY A 89 -17.218 -30.084 -13.065 1.00 51.11 H new ATOM 0 HA2 GLY A 89 -17.925 -29.157 -11.139 1.00 41.10 H new ATOM 0 HA3 GLY A 89 -18.350 -30.797 -10.691 1.00 41.10 H new ATOM 1383 N SER A 90 -15.218 -30.003 -10.264 1.00 30.10 N ATOM 1384 CA SER A 90 -14.130 -29.964 -9.293 1.00 54.35 C ATOM 1385 C SER A 90 -14.395 -28.909 -8.223 1.00 74.22 C ATOM 1386 O SER A 90 -14.703 -27.758 -8.533 1.00 62.11 O ATOM 1387 CB SER A 90 -12.803 -29.672 -9.995 1.00 63.13 C ATOM 1388 OG SER A 90 -12.301 -30.830 -10.639 1.00 70.43 O ATOM 0 H SER A 90 -14.918 -29.931 -11.236 1.00 30.10 H new ATOM 0 HA SER A 90 -14.071 -30.940 -8.810 1.00 54.35 H new ATOM 0 HB2 SER A 90 -12.943 -28.877 -10.727 1.00 63.13 H new ATOM 0 HB3 SER A 90 -12.075 -29.312 -9.268 1.00 63.13 H new ATOM 0 HG SER A 90 -12.653 -30.875 -11.553 1.00 70.43 H new ATOM 1394 N ARG A 91 -14.274 -29.311 -6.962 1.00 61.43 N ATOM 1395 CA ARG A 91 -14.501 -28.403 -5.845 1.00 52.32 C ATOM 1396 C ARG A 91 -13.344 -28.461 -4.852 1.00 61.44 C ATOM 1397 O ARG A 91 -12.575 -29.423 -4.836 1.00 11.02 O ATOM 1398 CB ARG A 91 -15.813 -28.749 -5.137 1.00 45.44 C ATOM 1399 CG ARG A 91 -16.116 -27.855 -3.946 1.00 3.20 C ATOM 1400 CD ARG A 91 -16.305 -26.407 -4.370 1.00 0.32 C ATOM 1401 NE ARG A 91 -17.615 -25.890 -3.982 1.00 43.32 N ATOM 1402 CZ ARG A 91 -18.714 -26.051 -4.711 1.00 24.43 C ATOM 1403 NH1 ARG A 91 -18.661 -26.713 -5.859 1.00 4.33 N ATOM 1404 NH2 ARG A 91 -19.869 -25.551 -4.291 1.00 62.40 N ATOM 0 H ARG A 91 -14.020 -30.260 -6.689 1.00 61.43 H new ATOM 0 HA ARG A 91 -14.566 -27.390 -6.241 1.00 52.32 H new ATOM 0 HB2 ARG A 91 -16.632 -28.677 -5.852 1.00 45.44 H new ATOM 0 HB3 ARG A 91 -15.773 -29.785 -4.802 1.00 45.44 H new ATOM 0 HG2 ARG A 91 -17.017 -28.209 -3.444 1.00 3.20 H new ATOM 0 HG3 ARG A 91 -15.302 -27.921 -3.224 1.00 3.20 H new ATOM 0 HD2 ARG A 91 -15.525 -25.793 -3.920 1.00 0.32 H new ATOM 0 HD3 ARG A 91 -16.190 -26.328 -5.451 1.00 0.32 H new ATOM 0 HE ARG A 91 -17.690 -25.377 -3.103 1.00 43.32 H new ATOM 0 HH11 ARG A 91 -17.775 -27.100 -6.184 1.00 4.33 H new ATOM 0 HH12 ARG A 91 -19.506 -26.835 -6.417 1.00 4.33 H new ATOM 0 HH21 ARG A 91 -19.914 -25.043 -3.408 1.00 62.40 H new ATOM 0 HH22 ARG A 91 -20.712 -25.675 -4.851 1.00 62.40 H new ATOM 1418 N TYR A 92 -13.226 -27.427 -4.027 1.00 73.13 N ATOM 1419 CA TYR A 92 -12.161 -27.359 -3.034 1.00 34.43 C ATOM 1420 C TYR A 92 -12.122 -28.630 -2.190 1.00 11.22 C ATOM 1421 O TYR A 92 -13.152 -29.163 -1.776 1.00 63.42 O ATOM 1422 CB TYR A 92 -12.354 -26.140 -2.131 1.00 15.12 C ATOM 1423 CG TYR A 92 -11.148 -25.821 -1.278 1.00 3.04 C ATOM 1424 CD1 TYR A 92 -10.753 -26.672 -0.252 1.00 51.22 C ATOM 1425 CD2 TYR A 92 -10.403 -24.669 -1.496 1.00 4.23 C ATOM 1426 CE1 TYR A 92 -9.652 -26.384 0.530 1.00 24.45 C ATOM 1427 CE2 TYR A 92 -9.299 -24.374 -0.719 1.00 61.11 C ATOM 1428 CZ TYR A 92 -8.928 -25.235 0.293 1.00 44.32 C ATOM 1429 OH TYR A 92 -7.830 -24.944 1.070 1.00 44.03 O ATOM 0 H TYR A 92 -13.855 -26.624 -4.026 1.00 73.13 H new ATOM 0 HA TYR A 92 -11.212 -27.265 -3.562 1.00 34.43 H new ATOM 0 HB2 TYR A 92 -12.590 -25.274 -2.749 1.00 15.12 H new ATOM 0 HB3 TYR A 92 -13.213 -26.312 -1.482 1.00 15.12 H new ATOM 0 HD1 TYR A 92 -11.317 -27.574 -0.063 1.00 51.22 H new ATOM 0 HD2 TYR A 92 -10.692 -23.992 -2.287 1.00 4.23 H new ATOM 0 HE1 TYR A 92 -9.359 -27.056 1.324 1.00 24.45 H new ATOM 0 HE2 TYR A 92 -8.730 -23.475 -0.903 1.00 61.11 H new ATOM 0 HH TYR A 92 -7.432 -24.100 0.771 1.00 44.03 H new ATOM 1439 N PRO A 93 -10.904 -29.127 -1.927 1.00 13.31 N ATOM 1440 CA PRO A 93 -9.672 -28.501 -2.414 1.00 43.53 C ATOM 1441 C PRO A 93 -9.509 -28.638 -3.924 1.00 74.22 C ATOM 1442 O PRO A 93 -8.779 -27.872 -4.552 1.00 32.44 O ATOM 1443 CB PRO A 93 -8.569 -29.273 -1.685 1.00 53.24 C ATOM 1444 CG PRO A 93 -9.176 -30.598 -1.377 1.00 22.12 C ATOM 1445 CD PRO A 93 -10.637 -30.338 -1.134 1.00 61.40 C ATOM 0 HA PRO A 93 -9.658 -27.428 -2.223 1.00 43.53 H new ATOM 0 HB2 PRO A 93 -7.681 -29.379 -2.309 1.00 53.24 H new ATOM 0 HB3 PRO A 93 -8.260 -28.758 -0.776 1.00 53.24 H new ATOM 0 HG2 PRO A 93 -9.036 -31.293 -2.205 1.00 22.12 H new ATOM 0 HG3 PRO A 93 -8.709 -31.047 -0.501 1.00 22.12 H new ATOM 0 HD2 PRO A 93 -11.254 -31.176 -1.460 1.00 61.40 H new ATOM 0 HD3 PRO A 93 -10.847 -30.180 -0.076 1.00 61.40 H new ATOM 1453 N ASN A 94 -10.196 -29.619 -4.502 1.00 24.25 N ATOM 1454 CA ASN A 94 -10.127 -29.857 -5.939 1.00 10.22 C ATOM 1455 C ASN A 94 -10.487 -28.595 -6.717 1.00 1.44 C ATOM 1456 O ASN A 94 -11.643 -28.171 -6.734 1.00 31.11 O ATOM 1457 CB ASN A 94 -11.067 -30.998 -6.334 1.00 3.15 C ATOM 1458 CG ASN A 94 -11.410 -31.896 -5.161 1.00 24.31 C ATOM 1459 OD1 ASN A 94 -12.582 -32.112 -4.852 1.00 24.11 O ATOM 1460 ND2 ASN A 94 -10.385 -32.425 -4.501 1.00 54.23 N ATOM 0 H ASN A 94 -10.806 -30.261 -3.997 1.00 24.25 H new ATOM 0 HA ASN A 94 -9.103 -30.136 -6.187 1.00 10.22 H new ATOM 0 HB2 ASN A 94 -11.984 -30.582 -6.750 1.00 3.15 H new ATOM 0 HB3 ASN A 94 -10.602 -31.593 -7.120 1.00 3.15 H new ATOM 0 HD21 ASN A 94 -10.554 -33.038 -3.703 1.00 54.23 H new ATOM 0 HD22 ASN A 94 -9.430 -32.218 -4.792 1.00 54.23 H new ATOM 1467 N CYS A 95 -9.489 -27.998 -7.360 1.00 10.00 N ATOM 1468 CA CYS A 95 -9.699 -26.784 -8.140 1.00 64.52 C ATOM 1469 C CYS A 95 -9.368 -27.020 -9.611 1.00 44.42 C ATOM 1470 O CYS A 95 -9.159 -26.074 -10.370 1.00 55.51 O ATOM 1471 CB CYS A 95 -8.840 -25.644 -7.589 1.00 75.10 C ATOM 1472 SG CYS A 95 -9.534 -24.840 -6.108 1.00 62.54 S ATOM 0 H CYS A 95 -8.526 -28.335 -7.356 1.00 10.00 H new ATOM 0 HA CYS A 95 -10.751 -26.508 -8.062 1.00 64.52 H new ATOM 0 HB2 CYS A 95 -7.850 -26.032 -7.349 1.00 75.10 H new ATOM 0 HB3 CYS A 95 -8.707 -24.894 -8.368 1.00 75.10 H new ATOM 1477 N ALA A 96 -9.321 -28.288 -10.006 1.00 51.31 N ATOM 1478 CA ALA A 96 -9.018 -28.648 -11.386 1.00 11.43 C ATOM 1479 C ALA A 96 -9.893 -27.868 -12.361 1.00 72.13 C ATOM 1480 O ALA A 96 -11.095 -28.116 -12.467 1.00 65.45 O ATOM 1481 CB ALA A 96 -9.198 -30.144 -11.592 1.00 63.34 C ATOM 0 H ALA A 96 -9.489 -29.083 -9.390 1.00 51.31 H new ATOM 0 HA ALA A 96 -7.978 -28.388 -11.584 1.00 11.43 H new ATOM 0 HB1 ALA A 96 -8.969 -30.399 -12.627 1.00 63.34 H new ATOM 0 HB2 ALA A 96 -8.526 -30.686 -10.927 1.00 63.34 H new ATOM 0 HB3 ALA A 96 -10.229 -30.420 -11.370 1.00 63.34 H new ATOM 1487 N TYR A 97 -9.284 -26.925 -13.071 1.00 53.21 N ATOM 1488 CA TYR A 97 -10.009 -26.107 -14.036 1.00 12.41 C ATOM 1489 C TYR A 97 -9.768 -26.601 -15.459 1.00 52.41 C ATOM 1490 O TYR A 97 -9.048 -27.575 -15.676 1.00 73.42 O ATOM 1491 CB TYR A 97 -9.586 -24.642 -13.914 1.00 41.21 C ATOM 1492 CG TYR A 97 -9.620 -24.118 -12.496 1.00 52.53 C ATOM 1493 CD1 TYR A 97 -10.790 -24.158 -11.748 1.00 33.51 C ATOM 1494 CD2 TYR A 97 -8.483 -23.580 -11.905 1.00 73.44 C ATOM 1495 CE1 TYR A 97 -10.827 -23.680 -10.452 1.00 62.04 C ATOM 1496 CE2 TYR A 97 -8.510 -23.101 -10.610 1.00 71.11 C ATOM 1497 CZ TYR A 97 -9.684 -23.153 -9.888 1.00 11.22 C ATOM 1498 OH TYR A 97 -9.715 -22.675 -8.598 1.00 32.03 O ATOM 0 H TYR A 97 -8.290 -26.708 -12.996 1.00 53.21 H new ATOM 0 HA TYR A 97 -11.074 -26.190 -13.817 1.00 12.41 H new ATOM 0 HB2 TYR A 97 -8.577 -24.530 -14.310 1.00 41.21 H new ATOM 0 HB3 TYR A 97 -10.241 -24.030 -14.534 1.00 41.21 H new ATOM 0 HD1 TYR A 97 -11.687 -24.570 -12.187 1.00 33.51 H new ATOM 0 HD2 TYR A 97 -7.563 -23.536 -12.468 1.00 73.44 H new ATOM 0 HE1 TYR A 97 -11.745 -23.719 -9.884 1.00 62.04 H new ATOM 0 HE2 TYR A 97 -7.617 -22.688 -10.165 1.00 71.11 H new ATOM 0 HH TYR A 97 -10.260 -23.270 -8.042 1.00 32.03 H new ATOM 1508 N ARG A 98 -10.376 -25.920 -16.425 1.00 44.25 N ATOM 1509 CA ARG A 98 -10.229 -26.288 -17.828 1.00 64.53 C ATOM 1510 C ARG A 98 -9.403 -25.248 -18.580 1.00 73.22 C ATOM 1511 O ARG A 98 -9.833 -24.107 -18.756 1.00 25.40 O ATOM 1512 CB ARG A 98 -11.602 -26.437 -18.485 1.00 71.43 C ATOM 1513 CG ARG A 98 -11.953 -27.872 -18.844 1.00 53.01 C ATOM 1514 CD ARG A 98 -11.588 -28.191 -20.285 1.00 72.04 C ATOM 1515 NE ARG A 98 -10.277 -28.825 -20.390 1.00 44.45 N ATOM 1516 CZ ARG A 98 -9.918 -29.608 -21.401 1.00 62.23 C ATOM 1517 NH1 ARG A 98 -10.768 -29.853 -22.389 1.00 20.13 N ATOM 1518 NH2 ARG A 98 -8.706 -30.148 -21.426 1.00 30.41 N ATOM 0 H ARG A 98 -10.975 -25.111 -16.262 1.00 44.25 H new ATOM 0 HA ARG A 98 -9.706 -27.244 -17.874 1.00 64.53 H new ATOM 0 HB2 ARG A 98 -12.363 -26.044 -17.811 1.00 71.43 H new ATOM 0 HB3 ARG A 98 -11.631 -25.828 -19.388 1.00 71.43 H new ATOM 0 HG2 ARG A 98 -11.428 -28.554 -18.175 1.00 53.01 H new ATOM 0 HG3 ARG A 98 -13.020 -28.035 -18.693 1.00 53.01 H new ATOM 0 HD2 ARG A 98 -12.344 -28.849 -20.713 1.00 72.04 H new ATOM 0 HD3 ARG A 98 -11.595 -27.273 -20.872 1.00 72.04 H new ATOM 0 HE ARG A 98 -9.600 -28.657 -19.646 1.00 44.45 H new ATOM 0 HH11 ARG A 98 -11.700 -29.440 -22.374 1.00 20.13 H new ATOM 0 HH12 ARG A 98 -10.489 -30.455 -23.164 1.00 20.13 H new ATOM 0 HH21 ARG A 98 -8.049 -29.962 -20.668 1.00 30.41 H new ATOM 0 HH22 ARG A 98 -8.431 -30.749 -22.203 1.00 30.41 H new ATOM 1532 N THR A 99 -8.215 -25.649 -19.022 1.00 73.41 N ATOM 1533 CA THR A 99 -7.329 -24.753 -19.753 1.00 51.41 C ATOM 1534 C THR A 99 -7.633 -24.777 -21.247 1.00 3.42 C ATOM 1535 O THR A 99 -7.242 -25.705 -21.954 1.00 42.15 O ATOM 1536 CB THR A 99 -5.850 -25.124 -19.535 1.00 51.34 C ATOM 1537 OG1 THR A 99 -5.625 -25.455 -18.161 1.00 35.34 O ATOM 1538 CG2 THR A 99 -4.939 -23.975 -19.941 1.00 24.22 C ATOM 0 H THR A 99 -7.845 -26.590 -18.886 1.00 73.41 H new ATOM 0 HA THR A 99 -7.505 -23.749 -19.366 1.00 51.41 H new ATOM 0 HB THR A 99 -5.619 -25.988 -20.158 1.00 51.34 H new ATOM 0 HG1 THR A 99 -5.214 -26.343 -18.101 1.00 35.34 H new ATOM 0 HG21 THR A 99 -3.900 -24.260 -19.778 1.00 24.22 H new ATOM 0 HG22 THR A 99 -5.091 -23.745 -20.995 1.00 24.22 H new ATOM 0 HG23 THR A 99 -5.173 -23.096 -19.340 1.00 24.22 H new ATOM 1546 N SER A 100 -8.331 -23.750 -21.721 1.00 14.14 N ATOM 1547 CA SER A 100 -8.690 -23.655 -23.131 1.00 31.22 C ATOM 1548 C SER A 100 -7.929 -22.520 -23.810 1.00 32.42 C ATOM 1549 O SER A 100 -8.287 -21.347 -23.703 1.00 34.40 O ATOM 1550 CB SER A 100 -10.197 -23.436 -23.282 1.00 63.30 C ATOM 1551 OG SER A 100 -10.785 -24.463 -24.062 1.00 14.23 O ATOM 0 H SER A 100 -8.659 -22.972 -21.149 1.00 14.14 H new ATOM 0 HA SER A 100 -8.416 -24.593 -23.614 1.00 31.22 H new ATOM 0 HB2 SER A 100 -10.664 -23.410 -22.298 1.00 63.30 H new ATOM 0 HB3 SER A 100 -10.382 -22.469 -23.749 1.00 63.30 H new ATOM 0 HG SER A 100 -11.748 -24.302 -24.143 1.00 14.23 H new ATOM 1557 N PRO A 101 -6.853 -22.877 -24.526 1.00 45.41 N ATOM 1558 CA PRO A 101 -6.018 -21.904 -25.238 1.00 21.04 C ATOM 1559 C PRO A 101 -6.735 -21.292 -26.436 1.00 64.35 C ATOM 1560 O PRO A 101 -7.299 -22.006 -27.266 1.00 41.22 O ATOM 1561 CB PRO A 101 -4.819 -22.736 -25.699 1.00 3.01 C ATOM 1562 CG PRO A 101 -5.335 -24.131 -25.783 1.00 52.22 C ATOM 1563 CD PRO A 101 -6.367 -24.256 -24.697 1.00 34.41 C ATOM 0 HA PRO A 101 -5.749 -21.058 -24.606 1.00 21.04 H new ATOM 0 HB2 PRO A 101 -4.447 -22.393 -26.664 1.00 3.01 H new ATOM 0 HB3 PRO A 101 -3.991 -22.662 -24.994 1.00 3.01 H new ATOM 0 HG2 PRO A 101 -5.773 -24.327 -26.762 1.00 52.22 H new ATOM 0 HG3 PRO A 101 -4.531 -24.854 -25.643 1.00 52.22 H new ATOM 0 HD2 PRO A 101 -7.172 -24.933 -24.984 1.00 34.41 H new ATOM 0 HD3 PRO A 101 -5.935 -24.647 -23.776 1.00 34.41 H new ATOM 1571 N LYS A 102 -6.709 -19.967 -26.522 1.00 44.43 N ATOM 1572 CA LYS A 102 -7.354 -19.258 -27.621 1.00 11.32 C ATOM 1573 C LYS A 102 -6.933 -17.792 -27.644 1.00 54.31 C ATOM 1574 O LYS A 102 -6.434 -17.265 -26.651 1.00 13.45 O ATOM 1575 CB LYS A 102 -8.876 -19.361 -27.497 1.00 40.31 C ATOM 1576 CG LYS A 102 -9.564 -19.783 -28.784 1.00 24.43 C ATOM 1577 CD LYS A 102 -10.767 -18.907 -29.087 1.00 41.41 C ATOM 1578 CE LYS A 102 -12.009 -19.740 -29.360 1.00 74.22 C ATOM 1579 NZ LYS A 102 -12.971 -19.691 -28.224 1.00 61.41 N ATOM 0 H LYS A 102 -6.248 -19.361 -25.843 1.00 44.43 H new ATOM 0 HA LYS A 102 -7.039 -19.723 -28.555 1.00 11.32 H new ATOM 0 HB2 LYS A 102 -9.121 -20.077 -26.712 1.00 40.31 H new ATOM 0 HB3 LYS A 102 -9.273 -18.396 -27.182 1.00 40.31 H new ATOM 0 HG2 LYS A 102 -8.856 -19.728 -29.611 1.00 24.43 H new ATOM 0 HG3 LYS A 102 -9.881 -20.823 -28.704 1.00 24.43 H new ATOM 0 HD2 LYS A 102 -10.953 -18.239 -28.246 1.00 41.41 H new ATOM 0 HD3 LYS A 102 -10.552 -18.278 -29.951 1.00 41.41 H new ATOM 0 HE2 LYS A 102 -12.497 -19.378 -30.265 1.00 74.22 H new ATOM 0 HE3 LYS A 102 -11.719 -20.774 -29.546 1.00 74.22 H new ATOM 0 HZ1 LYS A 102 -13.804 -20.271 -28.449 1.00 61.41 H new ATOM 0 HZ2 LYS A 102 -12.514 -20.060 -27.366 1.00 61.41 H new ATOM 0 HZ3 LYS A 102 -13.268 -18.707 -28.063 1.00 61.41 H new ATOM 1593 N GLU A 103 -7.140 -17.139 -28.784 1.00 21.41 N ATOM 1594 CA GLU A 103 -6.782 -15.734 -28.934 1.00 40.15 C ATOM 1595 C GLU A 103 -7.872 -14.972 -29.683 1.00 10.02 C ATOM 1596 O GLU A 103 -8.137 -15.238 -30.855 1.00 71.31 O ATOM 1597 CB GLU A 103 -5.450 -15.600 -29.676 1.00 73.42 C ATOM 1598 CG GLU A 103 -4.500 -16.761 -29.434 1.00 3.31 C ATOM 1599 CD GLU A 103 -4.437 -17.719 -30.608 1.00 14.24 C ATOM 1600 OE1 GLU A 103 -5.449 -18.404 -30.868 1.00 1.32 O ATOM 1601 OE2 GLU A 103 -3.378 -17.784 -31.265 1.00 51.15 O ATOM 0 H GLU A 103 -7.553 -17.561 -29.616 1.00 21.41 H new ATOM 0 HA GLU A 103 -6.680 -15.303 -27.938 1.00 40.15 H new ATOM 0 HB2 GLU A 103 -5.646 -15.518 -30.745 1.00 73.42 H new ATOM 0 HB3 GLU A 103 -4.964 -14.674 -29.369 1.00 73.42 H new ATOM 0 HG2 GLU A 103 -3.502 -16.373 -29.233 1.00 3.31 H new ATOM 0 HG3 GLU A 103 -4.816 -17.304 -28.543 1.00 3.31 H new ATOM 1608 N ARG A 104 -8.501 -14.024 -28.996 1.00 3.40 N ATOM 1609 CA ARG A 104 -9.563 -13.224 -29.594 1.00 70.11 C ATOM 1610 C ARG A 104 -9.797 -11.946 -28.794 1.00 54.13 C ATOM 1611 O ARG A 104 -9.216 -11.754 -27.726 1.00 22.01 O ATOM 1612 CB ARG A 104 -10.858 -14.034 -29.672 1.00 32.50 C ATOM 1613 CG ARG A 104 -11.500 -14.027 -31.050 1.00 5.21 C ATOM 1614 CD ARG A 104 -11.094 -15.248 -31.860 1.00 32.42 C ATOM 1615 NE ARG A 104 -12.153 -16.253 -31.902 1.00 31.33 N ATOM 1616 CZ ARG A 104 -12.271 -17.157 -32.868 1.00 25.42 C ATOM 1617 NH1 ARG A 104 -11.399 -17.182 -33.866 1.00 63.44 N ATOM 1618 NH2 ARG A 104 -13.261 -18.039 -32.836 1.00 34.30 N ATOM 0 H ARG A 104 -8.294 -13.791 -28.025 1.00 3.40 H new ATOM 0 HA ARG A 104 -9.253 -12.949 -30.602 1.00 70.11 H new ATOM 0 HB2 ARG A 104 -10.650 -15.064 -29.383 1.00 32.50 H new ATOM 0 HB3 ARG A 104 -11.569 -13.637 -28.947 1.00 32.50 H new ATOM 0 HG2 ARG A 104 -12.585 -14.002 -30.947 1.00 5.21 H new ATOM 0 HG3 ARG A 104 -11.209 -13.122 -31.583 1.00 5.21 H new ATOM 0 HD2 ARG A 104 -10.844 -14.942 -32.876 1.00 32.42 H new ATOM 0 HD3 ARG A 104 -10.194 -15.687 -31.428 1.00 32.42 H new ATOM 0 HE ARG A 104 -12.840 -16.261 -31.148 1.00 31.33 H new ATOM 0 HH11 ARG A 104 -10.635 -16.506 -33.893 1.00 63.44 H new ATOM 0 HH12 ARG A 104 -11.491 -17.877 -34.607 1.00 63.44 H new ATOM 0 HH21 ARG A 104 -13.933 -18.024 -32.069 1.00 34.30 H new ATOM 0 HH22 ARG A 104 -13.350 -18.733 -33.579 1.00 34.30 H new ATOM 1632 N HIS A 105 -10.653 -11.074 -29.319 1.00 22.11 N ATOM 1633 CA HIS A 105 -10.964 -9.814 -28.654 1.00 14.12 C ATOM 1634 C HIS A 105 -11.377 -10.052 -27.204 1.00 73.15 C ATOM 1635 O HIS A 105 -11.542 -11.195 -26.776 1.00 55.31 O ATOM 1636 CB HIS A 105 -12.080 -9.081 -29.400 1.00 64.01 C ATOM 1637 CG HIS A 105 -11.794 -8.881 -30.857 1.00 14.12 C ATOM 1638 ND1 HIS A 105 -11.489 -7.652 -31.402 1.00 13.30 N ATOM 1639 CD2 HIS A 105 -11.767 -9.763 -31.883 1.00 74.10 C ATOM 1640 CE1 HIS A 105 -11.289 -7.786 -32.701 1.00 22.12 C ATOM 1641 NE2 HIS A 105 -11.451 -9.058 -33.018 1.00 51.10 N ATOM 0 H HIS A 105 -11.143 -11.217 -30.202 1.00 22.11 H new ATOM 0 HA HIS A 105 -10.066 -9.197 -28.661 1.00 14.12 H new ATOM 0 HB2 HIS A 105 -13.008 -9.644 -29.294 1.00 64.01 H new ATOM 0 HB3 HIS A 105 -12.241 -8.109 -28.933 1.00 64.01 H new ATOM 0 HD1 HIS A 105 -11.427 -6.776 -30.883 1.00 13.30 H new ATOM 0 HD2 HIS A 105 -11.958 -10.824 -31.821 1.00 74.10 H new ATOM 0 HE1 HIS A 105 -11.036 -6.991 -33.387 1.00 22.12 H new ATOM 1649 N ILE A 106 -11.541 -8.967 -26.455 1.00 72.11 N ATOM 1650 CA ILE A 106 -11.935 -9.059 -25.055 1.00 1.13 C ATOM 1651 C ILE A 106 -12.562 -7.755 -24.574 1.00 35.15 C ATOM 1652 O ILE A 106 -12.364 -6.700 -25.176 1.00 55.23 O ATOM 1653 CB ILE A 106 -10.734 -9.401 -24.153 1.00 43.35 C ATOM 1654 CG1 ILE A 106 -9.423 -9.037 -24.854 1.00 1.32 C ATOM 1655 CG2 ILE A 106 -10.751 -10.876 -23.784 1.00 74.54 C ATOM 1656 CD1 ILE A 106 -8.287 -8.748 -23.898 1.00 0.33 C ATOM 0 H ILE A 106 -11.407 -8.014 -26.794 1.00 72.11 H new ATOM 0 HA ILE A 106 -12.670 -9.861 -24.986 1.00 1.13 H new ATOM 0 HB ILE A 106 -10.809 -8.817 -23.236 1.00 43.35 H new ATOM 0 HG12 ILE A 106 -9.133 -9.855 -25.513 1.00 1.32 H new ATOM 0 HG13 ILE A 106 -9.588 -8.163 -25.484 1.00 1.32 H new ATOM 0 HG21 ILE A 106 -9.896 -11.101 -23.147 1.00 74.54 H new ATOM 0 HG22 ILE A 106 -11.673 -11.107 -23.250 1.00 74.54 H new ATOM 0 HG23 ILE A 106 -10.696 -11.479 -24.691 1.00 74.54 H new ATOM 0 HD11 ILE A 106 -7.390 -8.497 -24.464 1.00 0.33 H new ATOM 0 HD12 ILE A 106 -8.557 -7.910 -23.255 1.00 0.33 H new ATOM 0 HD13 ILE A 106 -8.095 -9.628 -23.285 1.00 0.33 H new ATOM 1668 N ILE A 107 -13.318 -7.836 -23.484 1.00 12.44 N ATOM 1669 CA ILE A 107 -13.972 -6.661 -22.920 1.00 32.43 C ATOM 1670 C ILE A 107 -13.603 -6.479 -21.451 1.00 52.55 C ATOM 1671 O ILE A 107 -13.793 -7.381 -20.635 1.00 43.45 O ATOM 1672 CB ILE A 107 -15.504 -6.756 -23.044 1.00 74.03 C ATOM 1673 CG1 ILE A 107 -15.888 -7.558 -24.289 1.00 60.44 C ATOM 1674 CG2 ILE A 107 -16.119 -5.365 -23.094 1.00 23.11 C ATOM 1675 CD1 ILE A 107 -16.400 -8.948 -23.979 1.00 4.31 C ATOM 0 H ILE A 107 -13.493 -8.702 -22.974 1.00 12.44 H new ATOM 0 HA ILE A 107 -13.622 -5.800 -23.490 1.00 32.43 H new ATOM 0 HB ILE A 107 -15.893 -7.273 -22.167 1.00 74.03 H new ATOM 0 HG12 ILE A 107 -16.653 -7.012 -24.841 1.00 60.44 H new ATOM 0 HG13 ILE A 107 -15.019 -7.637 -24.943 1.00 60.44 H new ATOM 0 HG21 ILE A 107 -17.202 -5.449 -23.182 1.00 23.11 H new ATOM 0 HG22 ILE A 107 -15.870 -4.824 -22.181 1.00 23.11 H new ATOM 0 HG23 ILE A 107 -15.726 -4.824 -23.955 1.00 23.11 H new ATOM 0 HD11 ILE A 107 -16.653 -9.458 -24.908 1.00 4.31 H new ATOM 0 HD12 ILE A 107 -15.628 -9.511 -23.454 1.00 4.31 H new ATOM 0 HD13 ILE A 107 -17.288 -8.877 -23.351 1.00 4.31 H new ATOM 1687 N VAL A 108 -13.076 -5.304 -21.121 1.00 53.32 N ATOM 1688 CA VAL A 108 -12.683 -5.000 -19.750 1.00 71.34 C ATOM 1689 C VAL A 108 -13.198 -3.631 -19.321 1.00 72.21 C ATOM 1690 O VAL A 108 -13.579 -2.810 -20.155 1.00 64.33 O ATOM 1691 CB VAL A 108 -11.152 -5.036 -19.585 1.00 13.14 C ATOM 1692 CG1 VAL A 108 -10.697 -6.412 -19.123 1.00 2.34 C ATOM 1693 CG2 VAL A 108 -10.467 -4.647 -20.886 1.00 23.42 C ATOM 0 H VAL A 108 -12.911 -4.547 -21.784 1.00 53.32 H new ATOM 0 HA VAL A 108 -13.128 -5.767 -19.115 1.00 71.34 H new ATOM 0 HB VAL A 108 -10.869 -4.311 -18.822 1.00 13.14 H new ATOM 0 HG11 VAL A 108 -9.613 -6.418 -19.012 1.00 2.34 H new ATOM 0 HG12 VAL A 108 -11.161 -6.646 -18.165 1.00 2.34 H new ATOM 0 HG13 VAL A 108 -10.991 -7.159 -19.861 1.00 2.34 H new ATOM 0 HG21 VAL A 108 -9.386 -4.678 -20.751 1.00 23.42 H new ATOM 0 HG22 VAL A 108 -10.755 -5.346 -21.672 1.00 23.42 H new ATOM 0 HG23 VAL A 108 -10.769 -3.638 -21.169 1.00 23.42 H new ATOM 1703 N ALA A 109 -13.207 -3.392 -18.014 1.00 0.51 N ATOM 1704 CA ALA A 109 -13.673 -2.120 -17.473 1.00 63.54 C ATOM 1705 C ALA A 109 -12.521 -1.327 -16.865 1.00 61.44 C ATOM 1706 O ALA A 109 -12.076 -1.613 -15.753 1.00 50.21 O ATOM 1707 CB ALA A 109 -14.760 -2.355 -16.436 1.00 33.14 C ATOM 0 H ALA A 109 -12.897 -4.062 -17.310 1.00 0.51 H new ATOM 0 HA ALA A 109 -14.089 -1.535 -18.293 1.00 63.54 H new ATOM 0 HB1 ALA A 109 -15.099 -1.397 -16.040 1.00 33.14 H new ATOM 0 HB2 ALA A 109 -15.599 -2.873 -16.900 1.00 33.14 H new ATOM 0 HB3 ALA A 109 -14.362 -2.963 -15.623 1.00 33.14 H new ATOM 1713 N CYS A 110 -12.041 -0.331 -17.602 1.00 11.12 N ATOM 1714 CA CYS A 110 -10.940 0.503 -17.136 1.00 43.23 C ATOM 1715 C CYS A 110 -11.462 1.729 -16.393 1.00 54.43 C ATOM 1716 O CYS A 110 -12.558 2.215 -16.671 1.00 74.42 O ATOM 1717 CB CYS A 110 -10.070 0.941 -18.316 1.00 63.33 C ATOM 1718 SG CYS A 110 -10.865 0.737 -19.942 1.00 53.44 S ATOM 0 H CYS A 110 -12.397 -0.082 -18.525 1.00 11.12 H new ATOM 0 HA CYS A 110 -10.337 -0.088 -16.447 1.00 43.23 H new ATOM 0 HB2 CYS A 110 -9.799 1.989 -18.185 1.00 63.33 H new ATOM 0 HB3 CYS A 110 -9.143 0.368 -18.302 1.00 63.33 H new ATOM 1723 N GLU A 111 -10.669 2.224 -15.448 1.00 54.31 N ATOM 1724 CA GLU A 111 -11.053 3.393 -14.665 1.00 42.21 C ATOM 1725 C GLU A 111 -9.865 3.931 -13.873 1.00 5.00 C ATOM 1726 O GLU A 111 -8.771 3.369 -13.915 1.00 31.35 O ATOM 1727 CB GLU A 111 -12.198 3.043 -13.713 1.00 13.41 C ATOM 1728 CG GLU A 111 -13.090 4.226 -13.373 1.00 71.24 C ATOM 1729 CD GLU A 111 -13.098 4.544 -11.891 1.00 2.12 C ATOM 1730 OE1 GLU A 111 -12.029 4.436 -11.255 1.00 2.23 O ATOM 1731 OE2 GLU A 111 -14.174 4.901 -11.367 1.00 42.40 O ATOM 0 H GLU A 111 -9.758 1.834 -15.206 1.00 54.31 H new ATOM 0 HA GLU A 111 -11.388 4.167 -15.355 1.00 42.21 H new ATOM 0 HB2 GLU A 111 -12.806 2.258 -14.162 1.00 13.41 H new ATOM 0 HB3 GLU A 111 -11.782 2.636 -12.792 1.00 13.41 H new ATOM 0 HG2 GLU A 111 -12.752 5.102 -13.927 1.00 71.24 H new ATOM 0 HG3 GLU A 111 -14.108 4.015 -13.701 1.00 71.24 H new ATOM 1738 N GLY A 112 -10.088 5.025 -13.152 1.00 11.44 N ATOM 1739 CA GLY A 112 -9.028 5.622 -12.361 1.00 24.03 C ATOM 1740 C GLY A 112 -8.123 6.516 -13.185 1.00 4.22 C ATOM 1741 O GLY A 112 -8.578 7.187 -14.111 1.00 61.00 O ATOM 0 H GLY A 112 -10.984 5.509 -13.101 1.00 11.44 H new ATOM 0 HA2 GLY A 112 -9.467 6.203 -11.550 1.00 24.03 H new ATOM 0 HA3 GLY A 112 -8.433 4.833 -11.901 1.00 24.03 H new ATOM 1745 N SER A 113 -6.837 6.527 -12.847 1.00 12.54 N ATOM 1746 CA SER A 113 -5.867 7.351 -13.559 1.00 23.44 C ATOM 1747 C SER A 113 -4.453 6.806 -13.374 1.00 55.12 C ATOM 1748 O SER A 113 -3.965 6.643 -12.256 1.00 65.12 O ATOM 1749 CB SER A 113 -5.936 8.798 -13.068 1.00 20.14 C ATOM 1750 OG SER A 113 -5.802 9.709 -14.145 1.00 32.21 O ATOM 0 H SER A 113 -6.443 5.975 -12.085 1.00 12.54 H new ATOM 0 HA SER A 113 -6.113 7.324 -14.620 1.00 23.44 H new ATOM 0 HB2 SER A 113 -6.885 8.968 -12.560 1.00 20.14 H new ATOM 0 HB3 SER A 113 -5.147 8.975 -12.337 1.00 20.14 H new ATOM 0 HG SER A 113 -5.851 10.627 -13.805 1.00 32.21 H new ATOM 1756 N PRO A 114 -3.780 6.518 -14.498 1.00 31.21 N ATOM 1757 CA PRO A 114 -4.352 6.707 -15.834 1.00 51.52 C ATOM 1758 C PRO A 114 -5.470 5.714 -16.133 1.00 1.23 C ATOM 1759 O PRO A 114 -5.819 4.887 -15.291 1.00 34.34 O ATOM 1760 CB PRO A 114 -3.162 6.469 -16.767 1.00 22.14 C ATOM 1761 CG PRO A 114 -2.244 5.588 -15.992 1.00 30.25 C ATOM 1762 CD PRO A 114 -2.409 5.984 -14.550 1.00 62.13 C ATOM 0 HA PRO A 114 -4.809 7.690 -15.945 1.00 51.52 H new ATOM 0 HB2 PRO A 114 -3.476 5.994 -17.696 1.00 22.14 H new ATOM 0 HB3 PRO A 114 -2.677 7.407 -17.037 1.00 22.14 H new ATOM 0 HG2 PRO A 114 -2.495 4.537 -16.139 1.00 30.25 H new ATOM 0 HG3 PRO A 114 -1.212 5.718 -16.317 1.00 30.25 H new ATOM 0 HD2 PRO A 114 -2.284 5.132 -13.882 1.00 62.13 H new ATOM 0 HD3 PRO A 114 -1.675 6.732 -14.252 1.00 62.13 H new ATOM 1770 N TYR A 115 -6.027 5.801 -17.335 1.00 43.35 N ATOM 1771 CA TYR A 115 -7.107 4.911 -17.744 1.00 42.11 C ATOM 1772 C TYR A 115 -6.580 3.506 -18.018 1.00 32.42 C ATOM 1773 O TYR A 115 -5.994 3.243 -19.068 1.00 75.13 O ATOM 1774 CB TYR A 115 -7.803 5.459 -18.991 1.00 72.30 C ATOM 1775 CG TYR A 115 -9.304 5.568 -18.847 1.00 53.13 C ATOM 1776 CD1 TYR A 115 -9.879 5.972 -17.649 1.00 34.04 C ATOM 1777 CD2 TYR A 115 -10.148 5.267 -19.910 1.00 24.25 C ATOM 1778 CE1 TYR A 115 -11.250 6.073 -17.512 1.00 75.23 C ATOM 1779 CE2 TYR A 115 -11.520 5.366 -19.783 1.00 4.32 C ATOM 1780 CZ TYR A 115 -12.066 5.769 -18.582 1.00 52.43 C ATOM 1781 OH TYR A 115 -13.432 5.868 -18.452 1.00 15.34 O ATOM 0 H TYR A 115 -5.748 6.479 -18.044 1.00 43.35 H new ATOM 0 HA TYR A 115 -7.828 4.857 -16.928 1.00 42.11 H new ATOM 0 HB2 TYR A 115 -7.396 6.444 -19.221 1.00 72.30 H new ATOM 0 HB3 TYR A 115 -7.574 4.813 -19.839 1.00 72.30 H new ATOM 0 HD1 TYR A 115 -9.243 6.211 -16.810 1.00 34.04 H new ATOM 0 HD2 TYR A 115 -9.724 4.950 -20.851 1.00 24.25 H new ATOM 0 HE1 TYR A 115 -11.680 6.388 -16.573 1.00 75.23 H new ATOM 0 HE2 TYR A 115 -12.161 5.129 -20.619 1.00 4.32 H new ATOM 0 HH TYR A 115 -13.861 5.589 -19.288 1.00 15.34 H new ATOM 1791 N VAL A 116 -6.794 2.605 -17.064 1.00 62.52 N ATOM 1792 CA VAL A 116 -6.343 1.225 -17.201 1.00 71.33 C ATOM 1793 C VAL A 116 -7.431 0.246 -16.774 1.00 53.22 C ATOM 1794 O VAL A 116 -8.302 0.562 -15.963 1.00 3.41 O ATOM 1795 CB VAL A 116 -5.076 0.963 -16.366 1.00 63.42 C ATOM 1796 CG1 VAL A 116 -4.135 2.156 -16.435 1.00 24.50 C ATOM 1797 CG2 VAL A 116 -5.444 0.646 -14.925 1.00 11.03 C ATOM 0 H VAL A 116 -7.277 2.806 -16.188 1.00 62.52 H new ATOM 0 HA VAL A 116 -6.113 1.071 -18.255 1.00 71.33 H new ATOM 0 HB VAL A 116 -4.559 0.099 -16.783 1.00 63.42 H new ATOM 0 HG11 VAL A 116 -3.245 1.953 -15.839 1.00 24.50 H new ATOM 0 HG12 VAL A 116 -3.845 2.332 -17.471 1.00 24.50 H new ATOM 0 HG13 VAL A 116 -4.639 3.040 -16.044 1.00 24.50 H new ATOM 0 HG21 VAL A 116 -4.537 0.464 -14.349 1.00 11.03 H new ATOM 0 HG22 VAL A 116 -5.984 1.489 -14.494 1.00 11.03 H new ATOM 0 HG23 VAL A 116 -6.076 -0.242 -14.898 1.00 11.03 H new ATOM 1807 N PRO A 117 -7.383 -0.973 -17.332 1.00 11.30 N ATOM 1808 CA PRO A 117 -8.357 -2.024 -17.023 1.00 51.20 C ATOM 1809 C PRO A 117 -8.201 -2.560 -15.604 1.00 12.41 C ATOM 1810 O PRO A 117 -7.187 -3.171 -15.268 1.00 60.45 O ATOM 1811 CB PRO A 117 -8.036 -3.117 -18.046 1.00 1.35 C ATOM 1812 CG PRO A 117 -6.603 -2.903 -18.391 1.00 43.43 C ATOM 1813 CD PRO A 117 -6.374 -1.419 -18.307 1.00 4.22 C ATOM 0 HA PRO A 117 -9.382 -1.658 -17.077 1.00 51.20 H new ATOM 0 HB2 PRO A 117 -8.199 -4.111 -17.628 1.00 1.35 H new ATOM 0 HB3 PRO A 117 -8.672 -3.034 -18.927 1.00 1.35 H new ATOM 0 HG2 PRO A 117 -5.951 -3.438 -17.700 1.00 43.43 H new ATOM 0 HG3 PRO A 117 -6.382 -3.276 -19.391 1.00 43.43 H new ATOM 0 HD2 PRO A 117 -5.363 -1.187 -17.973 1.00 4.22 H new ATOM 0 HD3 PRO A 117 -6.509 -0.936 -19.275 1.00 4.22 H new ATOM 1821 N VAL A 118 -9.213 -2.326 -14.774 1.00 22.23 N ATOM 1822 CA VAL A 118 -9.189 -2.787 -13.391 1.00 24.14 C ATOM 1823 C VAL A 118 -10.224 -3.881 -13.158 1.00 31.41 C ATOM 1824 O VAL A 118 -10.442 -4.314 -12.026 1.00 14.03 O ATOM 1825 CB VAL A 118 -9.451 -1.630 -12.409 1.00 11.23 C ATOM 1826 CG1 VAL A 118 -8.347 -0.588 -12.503 1.00 63.21 C ATOM 1827 CG2 VAL A 118 -10.811 -1.003 -12.676 1.00 40.34 C ATOM 0 H VAL A 118 -10.059 -1.820 -15.035 1.00 22.23 H new ATOM 0 HA VAL A 118 -8.192 -3.189 -13.209 1.00 24.14 H new ATOM 0 HB VAL A 118 -9.453 -2.031 -11.395 1.00 11.23 H new ATOM 0 HG11 VAL A 118 -8.550 0.221 -11.802 1.00 63.21 H new ATOM 0 HG12 VAL A 118 -7.390 -1.049 -12.258 1.00 63.21 H new ATOM 0 HG13 VAL A 118 -8.309 -0.189 -13.517 1.00 63.21 H new ATOM 0 HG21 VAL A 118 -10.980 -0.187 -11.973 1.00 40.34 H new ATOM 0 HG22 VAL A 118 -10.840 -0.616 -13.695 1.00 40.34 H new ATOM 0 HG23 VAL A 118 -11.589 -1.756 -12.552 1.00 40.34 H new ATOM 1837 N HIS A 119 -10.860 -4.326 -14.237 1.00 61.22 N ATOM 1838 CA HIS A 119 -11.873 -5.372 -14.151 1.00 61.10 C ATOM 1839 C HIS A 119 -12.050 -6.069 -15.497 1.00 23.45 C ATOM 1840 O HIS A 119 -12.064 -5.424 -16.545 1.00 0.33 O ATOM 1841 CB HIS A 119 -13.206 -4.783 -13.689 1.00 73.25 C ATOM 1842 CG HIS A 119 -14.398 -5.418 -14.338 1.00 42.43 C ATOM 1843 ND1 HIS A 119 -15.377 -6.081 -13.629 1.00 63.11 N ATOM 1844 CD2 HIS A 119 -14.766 -5.485 -15.639 1.00 32.50 C ATOM 1845 CE1 HIS A 119 -16.295 -6.531 -14.466 1.00 23.23 C ATOM 1846 NE2 HIS A 119 -15.948 -6.183 -15.692 1.00 11.34 N ATOM 0 H HIS A 119 -10.692 -3.979 -15.181 1.00 61.22 H new ATOM 0 HA HIS A 119 -11.538 -6.109 -13.422 1.00 61.10 H new ATOM 0 HB2 HIS A 119 -13.288 -4.895 -12.608 1.00 73.25 H new ATOM 0 HB3 HIS A 119 -13.214 -3.714 -13.900 1.00 73.25 H new ATOM 0 HD2 HIS A 119 -14.230 -5.068 -16.479 1.00 32.50 H new ATOM 0 HE1 HIS A 119 -17.179 -7.089 -14.194 1.00 23.23 H new ATOM 0 HE2 HIS A 119 -16.472 -6.398 -16.540 1.00 11.34 H new ATOM 1854 N PHE A 120 -12.183 -7.391 -15.460 1.00 34.04 N ATOM 1855 CA PHE A 120 -12.357 -8.176 -16.676 1.00 73.11 C ATOM 1856 C PHE A 120 -13.783 -8.709 -16.780 1.00 54.45 C ATOM 1857 O PHE A 120 -14.338 -9.223 -15.809 1.00 70.33 O ATOM 1858 CB PHE A 120 -11.363 -9.339 -16.704 1.00 73.13 C ATOM 1859 CG PHE A 120 -10.907 -9.705 -18.088 1.00 15.40 C ATOM 1860 CD1 PHE A 120 -11.774 -10.321 -18.977 1.00 4.03 C ATOM 1861 CD2 PHE A 120 -9.613 -9.431 -18.500 1.00 72.31 C ATOM 1862 CE1 PHE A 120 -11.356 -10.659 -20.250 1.00 73.02 C ATOM 1863 CE2 PHE A 120 -9.190 -9.767 -19.773 1.00 14.43 C ATOM 1864 CZ PHE A 120 -10.064 -10.380 -20.649 1.00 65.41 C ATOM 0 H PHE A 120 -12.174 -7.941 -14.601 1.00 34.04 H new ATOM 0 HA PHE A 120 -12.168 -7.525 -17.529 1.00 73.11 H new ATOM 0 HB2 PHE A 120 -10.493 -9.078 -16.101 1.00 73.13 H new ATOM 0 HB3 PHE A 120 -11.823 -10.211 -16.239 1.00 73.13 H new ATOM 0 HD1 PHE A 120 -12.787 -10.539 -18.672 1.00 4.03 H new ATOM 0 HD2 PHE A 120 -8.927 -8.949 -17.819 1.00 72.31 H new ATOM 0 HE1 PHE A 120 -12.040 -11.141 -20.933 1.00 73.02 H new ATOM 0 HE2 PHE A 120 -8.178 -9.550 -20.082 1.00 14.43 H new ATOM 0 HZ PHE A 120 -9.737 -10.641 -21.645 1.00 65.41 H new ATOM 1874 N ASP A 121 -14.371 -8.580 -17.965 1.00 30.31 N ATOM 1875 CA ASP A 121 -15.732 -9.048 -18.198 1.00 34.42 C ATOM 1876 C ASP A 121 -15.729 -10.424 -18.858 1.00 3.22 C ATOM 1877 O ASP A 121 -16.027 -11.431 -18.217 1.00 61.22 O ATOM 1878 CB ASP A 121 -16.495 -8.052 -19.072 1.00 43.51 C ATOM 1879 CG ASP A 121 -17.816 -7.634 -18.457 1.00 31.30 C ATOM 1880 OD1 ASP A 121 -18.802 -8.385 -18.605 1.00 74.32 O ATOM 1881 OD2 ASP A 121 -17.864 -6.556 -17.828 1.00 70.21 O ATOM 0 H ASP A 121 -13.926 -8.155 -18.779 1.00 30.31 H new ATOM 0 HA ASP A 121 -16.231 -9.129 -17.232 1.00 34.42 H new ATOM 0 HB2 ASP A 121 -15.878 -7.168 -19.234 1.00 43.51 H new ATOM 0 HB3 ASP A 121 -16.678 -8.497 -20.050 1.00 43.51 H new ATOM 1886 N ALA A 122 -15.390 -10.457 -20.143 1.00 30.05 N ATOM 1887 CA ALA A 122 -15.347 -11.708 -20.889 1.00 23.31 C ATOM 1888 C ALA A 122 -14.720 -11.506 -22.264 1.00 42.32 C ATOM 1889 O ALA A 122 -14.599 -10.378 -22.742 1.00 14.30 O ATOM 1890 CB ALA A 122 -16.746 -12.290 -21.025 1.00 61.31 C ATOM 0 H ALA A 122 -15.141 -9.632 -20.688 1.00 30.05 H new ATOM 0 HA ALA A 122 -14.725 -12.411 -20.335 1.00 23.31 H new ATOM 0 HB1 ALA A 122 -16.699 -13.224 -21.584 1.00 61.31 H new ATOM 0 HB2 ALA A 122 -17.159 -12.481 -20.034 1.00 61.31 H new ATOM 0 HB3 ALA A 122 -17.385 -11.582 -21.554 1.00 61.31 H new ATOM 1896 N SER A 123 -14.321 -12.605 -22.896 1.00 33.44 N ATOM 1897 CA SER A 123 -13.702 -12.548 -24.215 1.00 13.44 C ATOM 1898 C SER A 123 -14.761 -12.563 -25.313 1.00 12.11 C ATOM 1899 O SER A 123 -15.732 -13.317 -25.245 1.00 11.32 O ATOM 1900 CB SER A 123 -12.740 -13.722 -24.402 1.00 33.43 C ATOM 1901 OG SER A 123 -13.326 -14.936 -23.964 1.00 32.15 O ATOM 0 H SER A 123 -14.415 -13.547 -22.515 1.00 33.44 H new ATOM 0 HA SER A 123 -13.143 -11.615 -24.286 1.00 13.44 H new ATOM 0 HB2 SER A 123 -12.464 -13.806 -25.453 1.00 33.43 H new ATOM 0 HB3 SER A 123 -11.822 -13.536 -23.845 1.00 33.43 H new ATOM 0 HG SER A 123 -12.692 -15.672 -24.096 1.00 32.15 H new ATOM 1907 N VAL A 124 -14.567 -11.724 -26.326 1.00 25.14 N ATOM 1908 CA VAL A 124 -15.503 -11.641 -27.440 1.00 10.41 C ATOM 1909 C VAL A 124 -14.996 -12.427 -28.644 1.00 12.32 C ATOM 1910 O VAL A 124 -13.888 -12.961 -28.626 1.00 60.10 O ATOM 1911 CB VAL A 124 -15.746 -10.179 -27.860 1.00 52.14 C ATOM 1912 CG1 VAL A 124 -17.149 -9.738 -27.472 1.00 1.55 C ATOM 1913 CG2 VAL A 124 -14.700 -9.265 -27.240 1.00 63.52 C ATOM 0 H VAL A 124 -13.769 -11.092 -26.398 1.00 25.14 H new ATOM 0 HA VAL A 124 -16.443 -12.074 -27.097 1.00 10.41 H new ATOM 0 HB VAL A 124 -15.657 -10.111 -28.944 1.00 52.14 H new ATOM 0 HG11 VAL A 124 -17.302 -8.703 -27.777 1.00 1.55 H new ATOM 0 HG12 VAL A 124 -17.881 -10.375 -27.969 1.00 1.55 H new ATOM 0 HG13 VAL A 124 -17.271 -9.820 -26.392 1.00 1.55 H new ATOM 0 HG21 VAL A 124 -14.887 -8.236 -27.548 1.00 63.52 H new ATOM 0 HG22 VAL A 124 -14.754 -9.334 -26.154 1.00 63.52 H new ATOM 0 HG23 VAL A 124 -13.708 -9.568 -27.574 1.00 63.52 H new ATOM 1923 N GLU A 125 -15.815 -12.492 -29.689 1.00 15.03 N ATOM 1924 CA GLU A 125 -15.449 -13.214 -30.902 1.00 13.43 C ATOM 1925 C GLU A 125 -15.218 -12.248 -32.060 1.00 42.14 C ATOM 1926 O GLU A 125 -14.431 -12.525 -32.965 1.00 44.25 O ATOM 1927 CB GLU A 125 -16.541 -14.220 -31.272 1.00 42.23 C ATOM 1928 CG GLU A 125 -16.463 -15.519 -30.488 1.00 43.12 C ATOM 1929 CD GLU A 125 -17.669 -15.735 -29.595 1.00 52.14 C ATOM 1930 OE1 GLU A 125 -17.789 -15.023 -28.577 1.00 13.13 O ATOM 1931 OE2 GLU A 125 -18.494 -16.617 -29.916 1.00 44.52 O ATOM 0 H GLU A 125 -16.736 -12.054 -29.720 1.00 15.03 H new ATOM 0 HA GLU A 125 -14.521 -13.752 -30.709 1.00 13.43 H new ATOM 0 HB2 GLU A 125 -17.516 -13.763 -31.105 1.00 42.23 H new ATOM 0 HB3 GLU A 125 -16.472 -14.443 -32.337 1.00 42.23 H new ATOM 0 HG2 GLU A 125 -16.376 -16.354 -31.183 1.00 43.12 H new ATOM 0 HG3 GLU A 125 -15.560 -15.517 -29.878 1.00 43.12 H new