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 87 THR OG1 : rot 69:sc= -0.145 USER MOD Set 1.2: A 90 SER OG : rot -49:sc= -1.75! USER MOD Set 2.1: A 48 HIS : no HE2:sc= -1.83! C(o=-0.93!,f=-5.5!) USER MOD Set 2.2: A 82 THR OG1 : rot 121:sc= 0.9 USER MOD Set 3.1: A 73 TYR OH : rot 75:sc= 1.09 USER MOD Set 3.2: A 115 TYR OH : rot -144:sc= 0.249 USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0.0455 USER MOD Set 4.2: A 28 GLN : amide:sc= 0 X(o=0.045,f=0.14) USER MOD Set 5.1: A 17 SER OG : rot 168:sc=0.000458 USER MOD Set 5.2: A 25 TYR OH : rot 130:sc= -1.68 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= -0.361 X(o=-0.36,f=-0.84) USER MOD Single : A 11 GLN : amide:sc= -2.22 X(o=-2.2,f=-2.3!) USER MOD Single : A 12 HIS : no HD1:sc= -11.5! C(o=-12!,f=-9.2!) USER MOD Single : A 13 MET CE :methyl -173:sc= -3.99! (180deg=-4.22!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 20 SER OG : rot -58:sc= 0.331 USER MOD Single : A 21 SER OG : rot -111:sc= 0.22 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 27 ASN : amide:sc= -5.45! C(o=-5.5!,f=-8!) USER MOD Single : A 29 MET CE :methyl -135:sc= -0.513 (180deg=-0.938) USER MOD Single : A 30 MET CE :methyl 151:sc= -0.206 (180deg=-0.901) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 35 MET CE :methyl 142:sc= -0.463 (180deg=-2.13!) USER MOD Single : A 36 THR OG1 : rot 149:sc= -1.22 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -1.59! (180deg=-2.25!) USER MOD Single : A 44 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 55 GLN : amide:sc= -3.29 K(o=-3.3,f=-2) USER MOD Single : A 56 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.52) USER MOD Single : A 60 GLN : amide:sc= -2.37 X(o=-2.4,f=-1.9) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.0228 K(o=0.023,f=-11!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -5.89! C(o=-5.9!,f=-4.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 96:sc= 1.42 USER MOD Single : A 76 ASN : amide:sc= -0.801 K(o=-0.8,f=-0.026) 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 174:sc= -1.36 (180deg=-1.6) USER MOD Single : A 80 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-3.9!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.88!) USER MOD Single : A 97 TYR OH : rot 72:sc= 0.434 USER MOD Single : A 99 THR OG1 : rot 139:sc= 0.585 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 HD1:sc= -4.5! C(o=-4.5!,f=-3.1!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-3.3!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.158 -0.382 -7.486 1.00 23.54 N ATOM 50 CA ARG A 4 -6.283 -1.177 -7.963 1.00 13.24 C ATOM 51 C ARG A 4 -5.913 -1.937 -9.233 1.00 1.31 C ATOM 52 O ARG A 4 -5.976 -3.165 -9.274 1.00 25.03 O ATOM 53 CB ARG A 4 -7.493 -0.279 -8.227 1.00 51.43 C ATOM 54 CG ARG A 4 -8.731 -1.040 -8.674 1.00 4.30 C ATOM 55 CD ARG A 4 -9.469 -1.647 -7.491 1.00 3.50 C ATOM 56 NE ARG A 4 -10.672 -2.363 -7.906 1.00 1.14 N ATOM 57 CZ ARG A 4 -11.682 -2.637 -7.088 1.00 55.21 C ATOM 58 NH1 ARG A 4 -11.635 -2.256 -5.819 1.00 40.21 N ATOM 59 NH2 ARG A 4 -12.744 -3.293 -7.540 1.00 3.22 N ATOM 0 HA ARG A 4 -6.538 -1.901 -7.189 1.00 13.24 H new ATOM 0 HB2 ARG A 4 -7.727 0.277 -7.319 1.00 51.43 H new ATOM 0 HB3 ARG A 4 -7.232 0.453 -8.991 1.00 51.43 H new ATOM 0 HG2 ARG A 4 -9.398 -0.368 -9.214 1.00 4.30 H new ATOM 0 HG3 ARG A 4 -8.443 -1.829 -9.369 1.00 4.30 H new ATOM 0 HD2 ARG A 4 -8.805 -2.330 -6.961 1.00 3.50 H new ATOM 0 HD3 ARG A 4 -9.740 -0.858 -6.789 1.00 3.50 H new ATOM 0 HE ARG A 4 -10.740 -2.669 -8.877 1.00 1.14 H new ATOM 0 HH11 ARG A 4 -10.821 -1.751 -5.468 1.00 40.21 H new ATOM 0 HH12 ARG A 4 -12.412 -2.468 -5.194 1.00 40.21 H new ATOM 0 HH21 ARG A 4 -12.785 -3.587 -8.516 1.00 3.22 H new ATOM 0 HH22 ARG A 4 -13.519 -3.503 -6.911 1.00 3.22 H new ATOM 73 N ALA A 5 -5.528 -1.197 -10.268 1.00 24.04 N ATOM 74 CA ALA A 5 -5.146 -1.801 -11.538 1.00 42.22 C ATOM 75 C ALA A 5 -4.231 -3.002 -11.322 1.00 52.35 C ATOM 76 O ALA A 5 -4.244 -3.953 -12.104 1.00 22.44 O ATOM 77 CB ALA A 5 -4.467 -0.771 -12.429 1.00 3.01 C ATOM 0 H ALA A 5 -5.473 -0.179 -10.251 1.00 24.04 H new ATOM 0 HA ALA A 5 -6.052 -2.152 -12.032 1.00 42.22 H new ATOM 0 HB1 ALA A 5 -4.187 -1.236 -13.374 1.00 3.01 H new ATOM 0 HB2 ALA A 5 -5.153 0.054 -12.620 1.00 3.01 H new ATOM 0 HB3 ALA A 5 -3.574 -0.392 -11.932 1.00 3.01 H new ATOM 83 N LYS A 6 -3.437 -2.951 -10.258 1.00 73.32 N ATOM 84 CA LYS A 6 -2.516 -4.035 -9.938 1.00 43.04 C ATOM 85 C LYS A 6 -3.265 -5.352 -9.760 1.00 40.44 C ATOM 86 O LYS A 6 -2.999 -6.329 -10.460 1.00 61.03 O ATOM 87 CB LYS A 6 -1.731 -3.706 -8.666 1.00 73.22 C ATOM 88 CG LYS A 6 -0.259 -3.426 -8.915 1.00 32.34 C ATOM 89 CD LYS A 6 0.527 -3.381 -7.615 1.00 31.40 C ATOM 90 CE LYS A 6 1.797 -2.557 -7.760 1.00 14.42 C ATOM 91 NZ LYS A 6 2.800 -3.231 -8.630 1.00 12.23 N ATOM 0 H LYS A 6 -3.413 -2.170 -9.602 1.00 73.32 H new ATOM 0 HA LYS A 6 -1.820 -4.144 -10.770 1.00 43.04 H new ATOM 0 HB2 LYS A 6 -2.181 -2.837 -8.186 1.00 73.22 H new ATOM 0 HB3 LYS A 6 -1.821 -4.538 -7.968 1.00 73.22 H new ATOM 0 HG2 LYS A 6 0.154 -4.197 -9.565 1.00 32.34 H new ATOM 0 HG3 LYS A 6 -0.152 -2.476 -9.439 1.00 32.34 H new ATOM 0 HD2 LYS A 6 -0.095 -2.957 -6.827 1.00 31.40 H new ATOM 0 HD3 LYS A 6 0.783 -4.395 -7.308 1.00 31.40 H new ATOM 0 HE2 LYS A 6 1.551 -1.581 -8.179 1.00 14.42 H new ATOM 0 HE3 LYS A 6 2.230 -2.381 -6.775 1.00 14.42 H new ATOM 0 HZ1 LYS A 6 3.651 -2.637 -8.703 1.00 12.23 H new ATOM 0 HZ2 LYS A 6 3.055 -4.151 -8.218 1.00 12.23 H new ATOM 0 HZ3 LYS A 6 2.396 -3.376 -9.577 1.00 12.23 H new ATOM 105 N LYS A 7 -4.204 -5.370 -8.821 1.00 20.35 N ATOM 106 CA LYS A 7 -4.994 -6.566 -8.552 1.00 14.33 C ATOM 107 C LYS A 7 -5.501 -7.186 -9.850 1.00 32.12 C ATOM 108 O LYS A 7 -5.591 -8.408 -9.972 1.00 12.03 O ATOM 109 CB LYS A 7 -6.176 -6.226 -7.641 1.00 34.32 C ATOM 110 CG LYS A 7 -5.862 -6.361 -6.161 1.00 0.41 C ATOM 111 CD LYS A 7 -6.154 -5.073 -5.410 1.00 1.53 C ATOM 112 CE LYS A 7 -6.619 -5.349 -3.988 1.00 70.52 C ATOM 113 NZ LYS A 7 -5.858 -4.548 -2.990 1.00 33.33 N ATOM 0 H LYS A 7 -4.437 -4.570 -8.233 1.00 20.35 H new ATOM 0 HA LYS A 7 -4.352 -7.290 -8.050 1.00 14.33 H new ATOM 0 HB2 LYS A 7 -6.498 -5.205 -7.844 1.00 34.32 H new ATOM 0 HB3 LYS A 7 -7.013 -6.879 -7.887 1.00 34.32 H new ATOM 0 HG2 LYS A 7 -6.452 -7.173 -5.736 1.00 0.41 H new ATOM 0 HG3 LYS A 7 -4.813 -6.628 -6.033 1.00 0.41 H new ATOM 0 HD2 LYS A 7 -5.258 -4.453 -5.387 1.00 1.53 H new ATOM 0 HD3 LYS A 7 -6.919 -4.507 -5.941 1.00 1.53 H new ATOM 0 HE2 LYS A 7 -7.681 -5.121 -3.903 1.00 70.52 H new ATOM 0 HE3 LYS A 7 -6.502 -6.410 -3.767 1.00 70.52 H new ATOM 0 HZ1 LYS A 7 -6.205 -4.765 -2.034 1.00 33.33 H new ATOM 0 HZ2 LYS A 7 -4.847 -4.784 -3.054 1.00 33.33 H new ATOM 0 HZ3 LYS A 7 -5.990 -3.535 -3.185 1.00 33.33 H new ATOM 127 N PHE A 8 -5.830 -6.337 -10.818 1.00 4.34 N ATOM 128 CA PHE A 8 -6.327 -6.802 -12.107 1.00 61.10 C ATOM 129 C PHE A 8 -5.244 -7.565 -12.864 1.00 61.04 C ATOM 130 O PHE A 8 -5.524 -8.559 -13.533 1.00 70.33 O ATOM 131 CB PHE A 8 -6.815 -5.620 -12.946 1.00 51.52 C ATOM 132 CG PHE A 8 -7.231 -6.003 -14.338 1.00 31.04 C ATOM 133 CD1 PHE A 8 -8.417 -6.686 -14.557 1.00 4.11 C ATOM 134 CD2 PHE A 8 -6.437 -5.680 -15.426 1.00 70.21 C ATOM 135 CE1 PHE A 8 -8.801 -7.041 -15.836 1.00 52.31 C ATOM 136 CE2 PHE A 8 -6.817 -6.032 -16.708 1.00 3.12 C ATOM 137 CZ PHE A 8 -8.001 -6.712 -16.913 1.00 20.20 C ATOM 0 H PHE A 8 -5.761 -5.323 -10.734 1.00 4.34 H new ATOM 0 HA PHE A 8 -7.162 -7.478 -11.924 1.00 61.10 H new ATOM 0 HB2 PHE A 8 -7.658 -5.149 -12.440 1.00 51.52 H new ATOM 0 HB3 PHE A 8 -6.022 -4.875 -13.005 1.00 51.52 H new ATOM 0 HD1 PHE A 8 -9.048 -6.943 -13.719 1.00 4.11 H new ATOM 0 HD2 PHE A 8 -5.510 -5.147 -15.271 1.00 70.21 H new ATOM 0 HE1 PHE A 8 -9.726 -7.575 -15.994 1.00 52.31 H new ATOM 0 HE2 PHE A 8 -6.188 -5.775 -17.548 1.00 3.12 H new ATOM 0 HZ PHE A 8 -8.301 -6.986 -17.914 1.00 20.20 H new ATOM 147 N GLN A 9 -4.007 -7.091 -12.754 1.00 12.13 N ATOM 148 CA GLN A 9 -2.882 -7.727 -13.429 1.00 34.42 C ATOM 149 C GLN A 9 -2.722 -9.174 -12.973 1.00 43.12 C ATOM 150 O GLN A 9 -2.784 -10.100 -13.782 1.00 21.22 O ATOM 151 CB GLN A 9 -1.593 -6.950 -13.161 1.00 2.55 C ATOM 152 CG GLN A 9 -1.256 -5.938 -14.244 1.00 63.34 C ATOM 153 CD GLN A 9 -1.712 -4.535 -13.896 1.00 33.30 C ATOM 154 OE1 GLN A 9 -1.106 -3.862 -13.063 1.00 2.34 O ATOM 155 NE2 GLN A 9 -2.787 -4.087 -14.534 1.00 41.30 N ATOM 0 H GLN A 9 -3.759 -6.269 -12.204 1.00 12.13 H new ATOM 0 HA GLN A 9 -3.084 -7.722 -14.500 1.00 34.42 H new ATOM 0 HB2 GLN A 9 -1.683 -6.432 -12.206 1.00 2.55 H new ATOM 0 HB3 GLN A 9 -0.767 -7.655 -13.064 1.00 2.55 H new ATOM 0 HG2 GLN A 9 -0.179 -5.935 -14.410 1.00 63.34 H new ATOM 0 HG3 GLN A 9 -1.722 -6.245 -15.180 1.00 63.34 H new ATOM 0 HE21 GLN A 9 -3.258 -4.680 -15.217 1.00 41.30 H new ATOM 0 HE22 GLN A 9 -3.141 -3.150 -14.341 1.00 41.30 H new ATOM 164 N ARG A 10 -2.514 -9.360 -11.674 1.00 35.33 N ATOM 165 CA ARG A 10 -2.343 -10.694 -11.111 1.00 34.21 C ATOM 166 C ARG A 10 -3.680 -11.427 -11.033 1.00 65.02 C ATOM 167 O ARG A 10 -3.780 -12.490 -10.422 1.00 23.32 O ATOM 168 CB ARG A 10 -1.716 -10.607 -9.719 1.00 3.15 C ATOM 169 CG ARG A 10 -0.236 -10.953 -9.695 1.00 21.13 C ATOM 170 CD ARG A 10 0.315 -10.947 -8.277 1.00 51.13 C ATOM 171 NE ARG A 10 1.761 -11.152 -8.251 1.00 53.40 N ATOM 172 CZ ARG A 10 2.453 -11.362 -7.137 1.00 40.20 C ATOM 173 NH1 ARG A 10 1.835 -11.395 -5.965 1.00 33.34 N ATOM 174 NH2 ARG A 10 3.767 -11.540 -7.194 1.00 53.45 N ATOM 0 H ARG A 10 -2.460 -8.604 -10.991 1.00 35.33 H new ATOM 0 HA ARG A 10 -1.678 -11.255 -11.767 1.00 34.21 H new ATOM 0 HB2 ARG A 10 -1.851 -9.597 -9.332 1.00 3.15 H new ATOM 0 HB3 ARG A 10 -2.249 -11.280 -9.047 1.00 3.15 H new ATOM 0 HG2 ARG A 10 -0.084 -11.936 -10.141 1.00 21.13 H new ATOM 0 HG3 ARG A 10 0.316 -10.237 -10.304 1.00 21.13 H new ATOM 0 HD2 ARG A 10 0.075 -9.997 -7.799 1.00 51.13 H new ATOM 0 HD3 ARG A 10 -0.173 -11.729 -7.695 1.00 51.13 H new ATOM 0 HE ARG A 10 2.267 -11.133 -9.137 1.00 53.40 H new ATOM 0 HH11 ARG A 10 0.825 -11.259 -5.917 1.00 33.34 H new ATOM 0 HH12 ARG A 10 2.369 -11.557 -5.111 1.00 33.34 H new ATOM 0 HH21 ARG A 10 4.246 -11.516 -8.094 1.00 53.45 H new ATOM 0 HH22 ARG A 10 4.297 -11.701 -6.338 1.00 53.45 H new ATOM 188 N GLN A 11 -4.702 -10.850 -11.656 1.00 70.22 N ATOM 189 CA GLN A 11 -6.032 -11.448 -11.656 1.00 21.21 C ATOM 190 C GLN A 11 -6.278 -12.229 -12.943 1.00 23.35 C ATOM 191 O GLN A 11 -6.524 -13.435 -12.911 1.00 73.53 O ATOM 192 CB GLN A 11 -7.101 -10.366 -11.490 1.00 24.40 C ATOM 193 CG GLN A 11 -7.747 -10.356 -10.114 1.00 51.12 C ATOM 194 CD GLN A 11 -8.169 -11.738 -9.657 1.00 24.41 C ATOM 195 OE1 GLN A 11 -7.378 -12.480 -9.073 1.00 2.45 O ATOM 196 NE2 GLN A 11 -9.421 -12.093 -9.921 1.00 23.42 N ATOM 0 H GLN A 11 -4.635 -9.970 -12.167 1.00 70.22 H new ATOM 0 HA GLN A 11 -6.092 -12.140 -10.816 1.00 21.21 H new ATOM 0 HB2 GLN A 11 -6.652 -9.391 -11.679 1.00 24.40 H new ATOM 0 HB3 GLN A 11 -7.874 -10.512 -12.244 1.00 24.40 H new ATOM 0 HG2 GLN A 11 -7.047 -9.937 -9.391 1.00 51.12 H new ATOM 0 HG3 GLN A 11 -8.618 -9.701 -10.131 1.00 51.12 H new ATOM 0 HE21 GLN A 11 -10.043 -11.447 -10.407 1.00 23.42 H new ATOM 0 HE22 GLN A 11 -9.761 -13.012 -9.638 1.00 23.42 H new ATOM 205 N HIS A 12 -6.209 -11.534 -14.073 1.00 74.14 N ATOM 206 CA HIS A 12 -6.424 -12.163 -15.372 1.00 35.12 C ATOM 207 C HIS A 12 -5.173 -12.062 -16.238 1.00 62.14 C ATOM 208 O HIS A 12 -4.837 -12.992 -16.970 1.00 63.45 O ATOM 209 CB HIS A 12 -7.608 -11.512 -16.088 1.00 34.24 C ATOM 210 CG HIS A 12 -8.676 -11.024 -15.157 1.00 41.04 C ATOM 211 ND1 HIS A 12 -9.881 -11.672 -14.989 1.00 55.31 N ATOM 212 CD2 HIS A 12 -8.713 -9.945 -14.341 1.00 52.21 C ATOM 213 CE1 HIS A 12 -10.615 -11.011 -14.111 1.00 22.30 C ATOM 214 NE2 HIS A 12 -9.929 -9.959 -13.702 1.00 65.41 N ATOM 0 H HIS A 12 -6.006 -10.535 -14.116 1.00 74.14 H new ATOM 0 HA HIS A 12 -6.645 -13.217 -15.205 1.00 35.12 H new ATOM 0 HB2 HIS A 12 -7.246 -10.674 -16.684 1.00 34.24 H new ATOM 0 HB3 HIS A 12 -8.043 -12.232 -16.782 1.00 34.24 H new ATOM 0 HD2 HIS A 12 -7.932 -9.210 -14.216 1.00 52.21 H new ATOM 0 HE1 HIS A 12 -11.607 -11.285 -13.784 1.00 22.30 H new ATOM 0 HE2 HIS A 12 -10.250 -9.269 -13.022 1.00 65.41 H new ATOM 222 N MET A 13 -4.488 -10.927 -16.150 1.00 41.42 N ATOM 223 CA MET A 13 -3.273 -10.705 -16.926 1.00 72.12 C ATOM 224 C MET A 13 -2.196 -11.717 -16.550 1.00 63.22 C ATOM 225 O MET A 13 -1.646 -11.673 -15.450 1.00 1.55 O ATOM 226 CB MET A 13 -2.753 -9.283 -16.705 1.00 34.30 C ATOM 227 CG MET A 13 -3.763 -8.205 -17.061 1.00 54.32 C ATOM 228 SD MET A 13 -3.586 -7.620 -18.758 1.00 1.14 S ATOM 229 CE MET A 13 -1.818 -7.340 -18.836 1.00 75.10 C ATOM 0 H MET A 13 -4.753 -10.147 -15.549 1.00 41.42 H new ATOM 0 HA MET A 13 -3.517 -10.835 -17.981 1.00 72.12 H new ATOM 0 HB2 MET A 13 -2.465 -9.169 -15.660 1.00 34.30 H new ATOM 0 HB3 MET A 13 -1.853 -9.137 -17.302 1.00 34.30 H new ATOM 0 HG2 MET A 13 -4.771 -8.595 -16.919 1.00 54.32 H new ATOM 0 HG3 MET A 13 -3.647 -7.364 -16.377 1.00 54.32 H new ATOM 0 HE1 MET A 13 -1.567 -6.859 -19.781 1.00 75.10 H new ATOM 0 HE2 MET A 13 -1.515 -6.697 -18.010 1.00 75.10 H new ATOM 0 HE3 MET A 13 -1.295 -8.294 -18.764 1.00 75.10 H new ATOM 239 N ASP A 14 -1.899 -12.628 -17.470 1.00 74.34 N ATOM 240 CA ASP A 14 -0.887 -13.651 -17.235 1.00 60.23 C ATOM 241 C ASP A 14 0.261 -13.518 -18.231 1.00 22.41 C ATOM 242 O ASP A 14 1.059 -14.441 -18.401 1.00 13.35 O ATOM 243 CB ASP A 14 -1.507 -15.046 -17.336 1.00 52.32 C ATOM 244 CG ASP A 14 -1.002 -15.984 -16.258 1.00 3.44 C ATOM 245 OD1 ASP A 14 0.228 -16.185 -16.176 1.00 73.50 O ATOM 246 OD2 ASP A 14 -1.836 -16.516 -15.496 1.00 23.44 O ATOM 0 H ASP A 14 -2.345 -12.679 -18.386 1.00 74.34 H new ATOM 0 HA ASP A 14 -0.491 -13.510 -16.229 1.00 60.23 H new ATOM 0 HB2 ASP A 14 -2.592 -14.964 -17.263 1.00 52.32 H new ATOM 0 HB3 ASP A 14 -1.284 -15.469 -18.315 1.00 52.32 H new ATOM 251 N SER A 15 0.338 -12.365 -18.888 1.00 31.34 N ATOM 252 CA SER A 15 1.385 -12.114 -19.870 1.00 45.52 C ATOM 253 C SER A 15 2.682 -12.812 -19.473 1.00 4.34 C ATOM 254 O SER A 15 3.309 -13.492 -20.286 1.00 14.14 O ATOM 255 CB SER A 15 1.627 -10.610 -20.016 1.00 15.20 C ATOM 256 OG SER A 15 1.937 -10.019 -18.766 1.00 31.43 O ATOM 0 H SER A 15 -0.312 -11.590 -18.758 1.00 31.34 H new ATOM 0 HA SER A 15 1.054 -12.517 -20.827 1.00 45.52 H new ATOM 0 HB2 SER A 15 2.444 -10.436 -20.716 1.00 15.20 H new ATOM 0 HB3 SER A 15 0.741 -10.135 -20.436 1.00 15.20 H new ATOM 0 HG SER A 15 2.089 -9.058 -18.887 1.00 31.43 H new ATOM 262 N ASP A 16 3.079 -12.638 -18.217 1.00 23.01 N ATOM 263 CA ASP A 16 4.301 -13.252 -17.709 1.00 40.33 C ATOM 264 C ASP A 16 4.514 -14.630 -18.328 1.00 4.24 C ATOM 265 O ASP A 16 5.581 -14.919 -18.871 1.00 35.24 O ATOM 266 CB ASP A 16 4.245 -13.366 -16.185 1.00 75.01 C ATOM 267 CG ASP A 16 5.583 -13.082 -15.533 1.00 44.22 C ATOM 268 OD1 ASP A 16 6.079 -11.943 -15.666 1.00 53.14 O ATOM 269 OD2 ASP A 16 6.135 -13.998 -14.889 1.00 45.10 O ATOM 0 H ASP A 16 2.573 -12.077 -17.532 1.00 23.01 H new ATOM 0 HA ASP A 16 5.141 -12.615 -17.986 1.00 40.33 H new ATOM 0 HB2 ASP A 16 3.501 -12.669 -15.799 1.00 75.01 H new ATOM 0 HB3 ASP A 16 3.916 -14.368 -15.911 1.00 75.01 H new ATOM 274 N SER A 17 3.493 -15.477 -18.240 1.00 45.53 N ATOM 275 CA SER A 17 3.571 -16.826 -18.787 1.00 31.33 C ATOM 276 C SER A 17 3.429 -16.806 -20.306 1.00 22.44 C ATOM 277 O SER A 17 3.039 -15.796 -20.890 1.00 74.15 O ATOM 278 CB SER A 17 2.484 -17.711 -18.173 1.00 52.32 C ATOM 279 OG SER A 17 3.052 -18.784 -17.443 1.00 34.04 O ATOM 0 H SER A 17 2.603 -15.253 -17.795 1.00 45.53 H new ATOM 0 HA SER A 17 4.549 -17.237 -18.537 1.00 31.33 H new ATOM 0 HB2 SER A 17 1.853 -17.113 -17.515 1.00 52.32 H new ATOM 0 HB3 SER A 17 1.842 -18.103 -18.961 1.00 52.32 H new ATOM 0 HG SER A 17 2.357 -19.218 -16.906 1.00 34.04 H new ATOM 285 N SER A 18 3.750 -17.931 -20.938 1.00 53.53 N ATOM 286 CA SER A 18 3.662 -18.042 -22.390 1.00 23.54 C ATOM 287 C SER A 18 2.393 -18.782 -22.802 1.00 24.40 C ATOM 288 O SER A 18 1.709 -19.398 -21.984 1.00 24.00 O ATOM 289 CB SER A 18 4.891 -18.768 -22.941 1.00 42.33 C ATOM 290 OG SER A 18 5.788 -17.858 -23.555 1.00 55.30 O ATOM 0 H SER A 18 4.073 -18.777 -20.468 1.00 53.53 H new ATOM 0 HA SER A 18 3.626 -17.035 -22.806 1.00 23.54 H new ATOM 0 HB2 SER A 18 5.399 -19.295 -22.133 1.00 42.33 H new ATOM 0 HB3 SER A 18 4.579 -19.520 -23.665 1.00 42.33 H new ATOM 0 HG SER A 18 6.566 -18.346 -23.897 1.00 55.30 H new ATOM 296 N PRO A 19 2.070 -18.722 -24.102 1.00 41.33 N ATOM 297 CA PRO A 19 0.883 -19.380 -24.654 1.00 75.24 C ATOM 298 C PRO A 19 1.010 -20.900 -24.657 1.00 5.45 C ATOM 299 O PRO A 19 1.875 -21.460 -23.983 1.00 31.21 O ATOM 300 CB PRO A 19 0.816 -18.847 -26.088 1.00 35.22 C ATOM 301 CG PRO A 19 2.220 -18.477 -26.420 1.00 73.13 C ATOM 302 CD PRO A 19 2.840 -18.006 -25.134 1.00 15.11 C ATOM 0 HA PRO A 19 -0.009 -19.171 -24.064 1.00 75.24 H new ATOM 0 HB2 PRO A 19 0.433 -19.603 -26.774 1.00 35.22 H new ATOM 0 HB3 PRO A 19 0.152 -17.986 -26.160 1.00 35.22 H new ATOM 0 HG2 PRO A 19 2.763 -19.331 -26.825 1.00 73.13 H new ATOM 0 HG3 PRO A 19 2.248 -17.693 -27.177 1.00 73.13 H new ATOM 0 HD2 PRO A 19 3.901 -18.251 -25.086 1.00 15.11 H new ATOM 0 HD3 PRO A 19 2.757 -16.925 -25.020 1.00 15.11 H new ATOM 310 N SER A 20 0.145 -21.561 -25.418 1.00 52.23 N ATOM 311 CA SER A 20 0.159 -23.016 -25.505 1.00 63.33 C ATOM 312 C SER A 20 -0.094 -23.645 -24.138 1.00 42.23 C ATOM 313 O SER A 20 0.626 -24.550 -23.716 1.00 74.02 O ATOM 314 CB SER A 20 1.499 -23.502 -26.062 1.00 40.32 C ATOM 315 OG SER A 20 1.464 -24.892 -26.336 1.00 1.33 O ATOM 0 H SER A 20 -0.575 -21.112 -25.984 1.00 52.23 H new ATOM 0 HA SER A 20 -0.640 -23.322 -26.180 1.00 63.33 H new ATOM 0 HB2 SER A 20 1.737 -22.954 -26.974 1.00 40.32 H new ATOM 0 HB3 SER A 20 2.293 -23.289 -25.346 1.00 40.32 H new ATOM 0 HG SER A 20 1.235 -25.381 -25.518 1.00 1.33 H new ATOM 321 N SER A 21 -1.122 -23.157 -23.451 1.00 60.42 N ATOM 322 CA SER A 21 -1.469 -23.668 -22.130 1.00 52.31 C ATOM 323 C SER A 21 -2.596 -24.692 -22.222 1.00 62.33 C ATOM 324 O SER A 21 -3.764 -24.335 -22.370 1.00 14.23 O ATOM 325 CB SER A 21 -1.884 -22.519 -21.209 1.00 3.40 C ATOM 326 OG SER A 21 -0.794 -21.649 -20.956 1.00 64.20 O ATOM 0 H SER A 21 -1.729 -22.409 -23.787 1.00 60.42 H new ATOM 0 HA SER A 21 -0.589 -24.159 -21.715 1.00 52.31 H new ATOM 0 HB2 SER A 21 -2.701 -21.960 -21.665 1.00 3.40 H new ATOM 0 HB3 SER A 21 -2.259 -22.921 -20.268 1.00 3.40 H new ATOM 0 HG SER A 21 -0.523 -21.729 -20.018 1.00 64.20 H new ATOM 332 N SER A 22 -2.235 -25.969 -22.134 1.00 51.44 N ATOM 333 CA SER A 22 -3.214 -27.047 -22.212 1.00 10.32 C ATOM 334 C SER A 22 -3.250 -27.842 -20.910 1.00 52.03 C ATOM 335 O SER A 22 -4.314 -28.265 -20.458 1.00 21.12 O ATOM 336 CB SER A 22 -2.889 -27.977 -23.382 1.00 45.31 C ATOM 337 OG SER A 22 -3.316 -27.417 -24.612 1.00 62.31 O ATOM 0 H SER A 22 -1.272 -26.282 -22.009 1.00 51.44 H new ATOM 0 HA SER A 22 -4.196 -26.602 -22.374 1.00 10.32 H new ATOM 0 HB2 SER A 22 -1.815 -28.162 -23.416 1.00 45.31 H new ATOM 0 HB3 SER A 22 -3.374 -28.941 -23.230 1.00 45.31 H new ATOM 0 HG SER A 22 -3.095 -28.030 -25.344 1.00 62.31 H new ATOM 343 N SER A 23 -2.079 -28.041 -20.313 1.00 74.43 N ATOM 344 CA SER A 23 -1.975 -28.789 -19.066 1.00 31.13 C ATOM 345 C SER A 23 -2.847 -28.162 -17.982 1.00 72.31 C ATOM 346 O SER A 23 -3.660 -27.279 -18.256 1.00 13.21 O ATOM 347 CB SER A 23 -0.519 -28.841 -18.598 1.00 34.20 C ATOM 348 OG SER A 23 0.046 -30.119 -18.833 1.00 4.00 O ATOM 0 H SER A 23 -1.190 -27.695 -20.673 1.00 74.43 H new ATOM 0 HA SER A 23 -2.327 -29.804 -19.249 1.00 31.13 H new ATOM 0 HB2 SER A 23 0.062 -28.081 -19.121 1.00 34.20 H new ATOM 0 HB3 SER A 23 -0.467 -28.607 -17.535 1.00 34.20 H new ATOM 0 HG SER A 23 0.977 -30.126 -18.527 1.00 4.00 H new ATOM 354 N THR A 24 -2.672 -28.626 -16.749 1.00 34.35 N ATOM 355 CA THR A 24 -3.443 -28.114 -15.623 1.00 1.52 C ATOM 356 C THR A 24 -3.106 -26.653 -15.345 1.00 64.13 C ATOM 357 O THR A 24 -3.390 -26.135 -14.265 1.00 50.54 O ATOM 358 CB THR A 24 -3.190 -28.938 -14.347 1.00 30.43 C ATOM 359 OG1 THR A 24 -1.824 -29.364 -14.301 1.00 64.24 O ATOM 360 CG2 THR A 24 -4.106 -30.152 -14.296 1.00 54.41 C ATOM 0 H THR A 24 -2.003 -29.356 -16.505 1.00 34.35 H new ATOM 0 HA THR A 24 -4.495 -28.196 -15.897 1.00 1.52 H new ATOM 0 HB THR A 24 -3.402 -28.305 -13.485 1.00 30.43 H new ATOM 0 HG1 THR A 24 -1.671 -29.886 -13.486 1.00 64.24 H new ATOM 0 HG21 THR A 24 -3.909 -30.719 -13.386 1.00 54.41 H new ATOM 0 HG22 THR A 24 -5.145 -29.824 -14.301 1.00 54.41 H new ATOM 0 HG23 THR A 24 -3.921 -30.784 -15.164 1.00 54.41 H new ATOM 368 N TYR A 25 -2.499 -25.994 -16.326 1.00 64.52 N ATOM 369 CA TYR A 25 -2.121 -24.593 -16.187 1.00 30.14 C ATOM 370 C TYR A 25 -3.107 -23.850 -15.291 1.00 14.31 C ATOM 371 O TYR A 25 -2.795 -23.514 -14.148 1.00 53.21 O ATOM 372 CB TYR A 25 -2.056 -23.922 -17.559 1.00 45.43 C ATOM 373 CG TYR A 25 -1.497 -22.517 -17.520 1.00 53.13 C ATOM 374 CD1 TYR A 25 -0.129 -22.289 -17.604 1.00 74.14 C ATOM 375 CD2 TYR A 25 -2.338 -21.417 -17.400 1.00 74.34 C ATOM 376 CE1 TYR A 25 0.385 -21.007 -17.568 1.00 72.53 C ATOM 377 CE2 TYR A 25 -1.833 -20.132 -17.365 1.00 71.00 C ATOM 378 CZ TYR A 25 -0.471 -19.932 -17.449 1.00 21.32 C ATOM 379 OH TYR A 25 0.037 -18.654 -17.414 1.00 23.00 O ATOM 0 H TYR A 25 -2.258 -26.408 -17.227 1.00 64.52 H new ATOM 0 HA TYR A 25 -1.135 -24.553 -15.724 1.00 30.14 H new ATOM 0 HB2 TYR A 25 -1.442 -24.530 -18.223 1.00 45.43 H new ATOM 0 HB3 TYR A 25 -3.058 -23.894 -17.988 1.00 45.43 H new ATOM 0 HD1 TYR A 25 0.544 -23.128 -17.699 1.00 74.14 H new ATOM 0 HD2 TYR A 25 -3.405 -21.570 -17.333 1.00 74.34 H new ATOM 0 HE1 TYR A 25 1.451 -20.847 -17.633 1.00 72.53 H new ATOM 0 HE2 TYR A 25 -2.501 -19.288 -17.272 1.00 71.00 H new ATOM 0 HH TYR A 25 -0.441 -18.094 -18.061 1.00 23.00 H new ATOM 389 N CYS A 26 -4.300 -23.596 -15.818 1.00 74.44 N ATOM 390 CA CYS A 26 -5.335 -22.893 -15.069 1.00 63.32 C ATOM 391 C CYS A 26 -5.521 -23.512 -13.687 1.00 22.32 C ATOM 392 O CYS A 26 -5.328 -22.850 -12.668 1.00 64.22 O ATOM 393 CB CYS A 26 -6.658 -22.923 -15.836 1.00 34.12 C ATOM 394 SG CYS A 26 -6.624 -22.013 -17.414 1.00 34.43 S ATOM 0 H CYS A 26 -4.574 -23.867 -16.762 1.00 74.44 H new ATOM 0 HA CYS A 26 -5.019 -21.857 -14.944 1.00 63.32 H new ATOM 0 HB2 CYS A 26 -6.928 -23.961 -16.033 1.00 34.12 H new ATOM 0 HB3 CYS A 26 -7.441 -22.504 -15.204 1.00 34.12 H new ATOM 399 N ASN A 27 -5.897 -24.787 -13.661 1.00 50.30 N ATOM 400 CA ASN A 27 -6.110 -25.496 -12.404 1.00 44.43 C ATOM 401 C ASN A 27 -5.149 -24.997 -11.329 1.00 41.31 C ATOM 402 O ASN A 27 -5.555 -24.721 -10.201 1.00 1.33 O ATOM 403 CB ASN A 27 -5.929 -27.001 -12.607 1.00 65.20 C ATOM 404 CG ASN A 27 -5.981 -27.771 -11.301 1.00 44.23 C ATOM 405 OD1 ASN A 27 -5.959 -27.183 -10.220 1.00 14.40 O ATOM 406 ND2 ASN A 27 -6.049 -29.094 -11.397 1.00 2.43 N ATOM 0 H ASN A 27 -6.060 -25.350 -14.496 1.00 50.30 H new ATOM 0 HA ASN A 27 -7.130 -25.301 -12.073 1.00 44.43 H new ATOM 0 HB2 ASN A 27 -6.707 -27.371 -13.275 1.00 65.20 H new ATOM 0 HB3 ASN A 27 -4.973 -27.186 -13.097 1.00 65.20 H new ATOM 0 HD21 ASN A 27 -6.085 -29.665 -10.553 1.00 2.43 H new ATOM 0 HD22 ASN A 27 -6.065 -29.539 -12.315 1.00 2.43 H new ATOM 413 N GLN A 28 -3.874 -24.884 -11.689 1.00 13.54 N ATOM 414 CA GLN A 28 -2.856 -24.418 -10.754 1.00 72.13 C ATOM 415 C GLN A 28 -2.776 -22.895 -10.751 1.00 63.12 C ATOM 416 O GLN A 28 -3.120 -22.248 -9.763 1.00 15.11 O ATOM 417 CB GLN A 28 -1.493 -25.012 -11.115 1.00 14.11 C ATOM 418 CG GLN A 28 -1.275 -26.412 -10.565 1.00 30.13 C ATOM 419 CD GLN A 28 0.037 -27.020 -11.019 1.00 44.32 C ATOM 420 OE1 GLN A 28 1.093 -26.744 -10.448 1.00 70.32 O ATOM 421 NE2 GLN A 28 -0.022 -27.852 -12.052 1.00 44.03 N ATOM 0 H GLN A 28 -3.522 -25.108 -12.620 1.00 13.54 H new ATOM 0 HA GLN A 28 -3.136 -24.750 -9.754 1.00 72.13 H new ATOM 0 HB2 GLN A 28 -1.393 -25.037 -12.200 1.00 14.11 H new ATOM 0 HB3 GLN A 28 -0.709 -24.356 -10.738 1.00 14.11 H new ATOM 0 HG2 GLN A 28 -1.297 -26.378 -9.476 1.00 30.13 H new ATOM 0 HG3 GLN A 28 -2.097 -27.054 -10.881 1.00 30.13 H new ATOM 0 HE21 GLN A 28 -0.919 -28.052 -12.495 1.00 44.03 H new ATOM 0 HE22 GLN A 28 0.829 -28.291 -12.403 1.00 44.03 H new ATOM 430 N MET A 29 -2.318 -22.329 -11.863 1.00 62.42 N ATOM 431 CA MET A 29 -2.193 -20.882 -11.988 1.00 51.23 C ATOM 432 C MET A 29 -3.276 -20.171 -11.182 1.00 62.23 C ATOM 433 O MET A 29 -2.980 -19.444 -10.234 1.00 71.15 O ATOM 434 CB MET A 29 -2.279 -20.466 -13.458 1.00 75.11 C ATOM 435 CG MET A 29 -1.133 -20.991 -14.307 1.00 23.25 C ATOM 436 SD MET A 29 0.448 -20.952 -13.439 1.00 53.23 S ATOM 437 CE MET A 29 0.551 -19.218 -13.003 1.00 2.31 C ATOM 0 H MET A 29 -2.027 -22.851 -12.690 1.00 62.42 H new ATOM 0 HA MET A 29 -1.220 -20.591 -11.592 1.00 51.23 H new ATOM 0 HB2 MET A 29 -3.221 -20.823 -13.873 1.00 75.11 H new ATOM 0 HB3 MET A 29 -2.296 -19.378 -13.519 1.00 75.11 H new ATOM 0 HG2 MET A 29 -1.351 -22.015 -14.612 1.00 23.25 H new ATOM 0 HG3 MET A 29 -1.058 -20.396 -15.217 1.00 23.25 H new ATOM 0 HE1 MET A 29 1.553 -18.847 -13.219 1.00 2.31 H new ATOM 0 HE2 MET A 29 -0.178 -18.653 -13.584 1.00 2.31 H new ATOM 0 HE3 MET A 29 0.341 -19.097 -11.940 1.00 2.31 H new ATOM 447 N MET A 30 -4.530 -20.386 -11.566 1.00 21.43 N ATOM 448 CA MET A 30 -5.656 -19.766 -10.877 1.00 72.53 C ATOM 449 C MET A 30 -5.503 -19.889 -9.365 1.00 21.14 C ATOM 450 O MET A 30 -5.782 -18.946 -8.625 1.00 1.44 O ATOM 451 CB MET A 30 -6.971 -20.410 -11.322 1.00 64.43 C ATOM 452 CG MET A 30 -7.780 -19.544 -12.273 1.00 74.13 C ATOM 453 SD MET A 30 -8.595 -18.170 -11.438 1.00 13.23 S ATOM 454 CE MET A 30 -7.566 -16.799 -11.957 1.00 23.31 C ATOM 0 H MET A 30 -4.792 -20.984 -12.350 1.00 21.43 H new ATOM 0 HA MET A 30 -5.671 -18.708 -11.138 1.00 72.53 H new ATOM 0 HB2 MET A 30 -6.754 -21.362 -11.806 1.00 64.43 H new ATOM 0 HB3 MET A 30 -7.575 -20.630 -10.441 1.00 64.43 H new ATOM 0 HG2 MET A 30 -7.123 -19.154 -13.050 1.00 74.13 H new ATOM 0 HG3 MET A 30 -8.531 -20.159 -12.769 1.00 74.13 H new ATOM 0 HE1 MET A 30 -8.162 -15.887 -11.986 1.00 23.31 H new ATOM 0 HE2 MET A 30 -6.745 -16.673 -11.252 1.00 23.31 H new ATOM 0 HE3 MET A 30 -7.164 -17.001 -12.950 1.00 23.31 H new ATOM 464 N ARG A 31 -5.058 -21.057 -8.912 1.00 55.00 N ATOM 465 CA ARG A 31 -4.870 -21.303 -7.487 1.00 50.34 C ATOM 466 C ARG A 31 -3.691 -20.498 -6.948 1.00 40.12 C ATOM 467 O ARG A 31 -3.837 -19.719 -6.007 1.00 15.44 O ATOM 468 CB ARG A 31 -4.643 -22.794 -7.231 1.00 15.32 C ATOM 469 CG ARG A 31 -3.772 -23.078 -6.018 1.00 41.54 C ATOM 470 CD ARG A 31 -3.433 -24.556 -5.910 1.00 34.05 C ATOM 471 NE ARG A 31 -2.697 -24.860 -4.686 1.00 22.23 N ATOM 472 CZ ARG A 31 -2.118 -26.032 -4.448 1.00 73.22 C ATOM 473 NH1 ARG A 31 -2.190 -27.005 -5.346 1.00 54.12 N ATOM 474 NH2 ARG A 31 -1.466 -26.233 -3.310 1.00 44.25 N ATOM 0 H ARG A 31 -4.821 -21.848 -9.511 1.00 55.00 H new ATOM 0 HA ARG A 31 -5.773 -20.985 -6.966 1.00 50.34 H new ATOM 0 HB2 ARG A 31 -5.608 -23.282 -7.097 1.00 15.32 H new ATOM 0 HB3 ARG A 31 -4.181 -23.239 -8.112 1.00 15.32 H new ATOM 0 HG2 ARG A 31 -2.852 -22.497 -6.085 1.00 41.54 H new ATOM 0 HG3 ARG A 31 -4.288 -22.755 -5.114 1.00 41.54 H new ATOM 0 HD2 ARG A 31 -4.352 -25.142 -5.935 1.00 34.05 H new ATOM 0 HD3 ARG A 31 -2.840 -24.856 -6.774 1.00 34.05 H new ATOM 0 HE ARG A 31 -2.623 -24.133 -3.975 1.00 22.23 H new ATOM 0 HH11 ARG A 31 -2.691 -26.855 -6.222 1.00 54.12 H new ATOM 0 HH12 ARG A 31 -1.745 -27.904 -5.161 1.00 54.12 H new ATOM 0 HH21 ARG A 31 -1.409 -25.487 -2.616 1.00 44.25 H new ATOM 0 HH22 ARG A 31 -1.022 -27.133 -3.129 1.00 44.25 H new ATOM 488 N ARG A 32 -2.523 -20.693 -7.551 1.00 41.04 N ATOM 489 CA ARG A 32 -1.319 -19.987 -7.131 1.00 3.01 C ATOM 490 C ARG A 32 -1.571 -18.485 -7.044 1.00 55.33 C ATOM 491 O ARG A 32 -0.834 -17.758 -6.378 1.00 22.51 O ATOM 492 CB ARG A 32 -0.172 -20.267 -8.104 1.00 2.30 C ATOM 493 CG ARG A 32 1.198 -20.267 -7.446 1.00 64.53 C ATOM 494 CD ARG A 32 2.230 -19.554 -8.306 1.00 54.43 C ATOM 495 NE ARG A 32 3.588 -20.010 -8.024 1.00 71.15 N ATOM 496 CZ ARG A 32 4.667 -19.519 -8.623 1.00 3.43 C ATOM 497 NH1 ARG A 32 4.547 -18.560 -9.531 1.00 5.03 N ATOM 498 NH2 ARG A 32 5.870 -19.986 -8.312 1.00 51.34 N ATOM 0 H ARG A 32 -2.385 -21.334 -8.332 1.00 41.04 H new ATOM 0 HA ARG A 32 -1.043 -20.349 -6.141 1.00 3.01 H new ATOM 0 HB2 ARG A 32 -0.338 -21.234 -8.579 1.00 2.30 H new ATOM 0 HB3 ARG A 32 -0.186 -19.517 -8.895 1.00 2.30 H new ATOM 0 HG2 ARG A 32 1.135 -19.780 -6.473 1.00 64.53 H new ATOM 0 HG3 ARG A 32 1.518 -21.294 -7.269 1.00 64.53 H new ATOM 0 HD2 ARG A 32 2.003 -19.722 -9.359 1.00 54.43 H new ATOM 0 HD3 ARG A 32 2.165 -18.480 -8.133 1.00 54.43 H new ATOM 0 HE ARG A 32 3.715 -20.746 -7.329 1.00 71.15 H new ATOM 0 HH11 ARG A 32 3.624 -18.197 -9.771 1.00 5.03 H new ATOM 0 HH12 ARG A 32 5.377 -18.185 -9.989 1.00 5.03 H new ATOM 0 HH21 ARG A 32 5.966 -20.722 -7.613 1.00 51.34 H new ATOM 0 HH22 ARG A 32 6.698 -19.609 -8.772 1.00 51.34 H new ATOM 512 N ARG A 33 -2.618 -18.026 -7.723 1.00 12.14 N ATOM 513 CA ARG A 33 -2.967 -16.610 -7.724 1.00 32.45 C ATOM 514 C ARG A 33 -3.771 -16.248 -6.478 1.00 42.31 C ATOM 515 O ARG A 33 -4.432 -15.211 -6.434 1.00 72.43 O ATOM 516 CB ARG A 33 -3.768 -16.262 -8.980 1.00 2.54 C ATOM 517 CG ARG A 33 -3.003 -16.493 -10.273 1.00 14.42 C ATOM 518 CD ARG A 33 -2.226 -15.254 -10.689 1.00 44.01 C ATOM 519 NE ARG A 33 -1.090 -15.583 -11.546 1.00 63.30 N ATOM 520 CZ ARG A 33 -0.325 -14.671 -12.136 1.00 14.01 C ATOM 521 NH1 ARG A 33 -0.574 -13.380 -11.962 1.00 61.31 N ATOM 522 NH2 ARG A 33 0.690 -15.049 -12.901 1.00 64.13 N ATOM 0 H ARG A 33 -3.239 -18.614 -8.279 1.00 12.14 H new ATOM 0 HA ARG A 33 -2.042 -16.033 -7.719 1.00 32.45 H new ATOM 0 HB2 ARG A 33 -4.680 -16.858 -8.996 1.00 2.54 H new ATOM 0 HB3 ARG A 33 -4.072 -15.216 -8.929 1.00 2.54 H new ATOM 0 HG2 ARG A 33 -2.316 -17.329 -10.146 1.00 14.42 H new ATOM 0 HG3 ARG A 33 -3.699 -16.770 -11.065 1.00 14.42 H new ATOM 0 HD2 ARG A 33 -2.891 -14.569 -11.215 1.00 44.01 H new ATOM 0 HD3 ARG A 33 -1.871 -14.733 -9.800 1.00 44.01 H new ATOM 0 HE ARG A 33 -0.872 -16.567 -11.700 1.00 63.30 H new ATOM 0 HH11 ARG A 33 -1.354 -13.086 -11.374 1.00 61.31 H new ATOM 0 HH12 ARG A 33 0.015 -12.681 -12.416 1.00 61.31 H new ATOM 0 HH21 ARG A 33 0.884 -16.041 -13.037 1.00 64.13 H new ATOM 0 HH22 ARG A 33 1.276 -14.348 -13.353 1.00 64.13 H new ATOM 536 N ASN A 34 -3.708 -17.109 -5.468 1.00 73.41 N ATOM 537 CA ASN A 34 -4.431 -16.880 -4.222 1.00 61.42 C ATOM 538 C ASN A 34 -5.921 -16.688 -4.485 1.00 53.32 C ATOM 539 O ASN A 34 -6.554 -15.804 -3.909 1.00 13.23 O ATOM 540 CB ASN A 34 -3.867 -15.656 -3.499 1.00 2.21 C ATOM 541 CG ASN A 34 -2.352 -15.676 -3.424 1.00 12.51 C ATOM 542 OD1 ASN A 34 -1.739 -16.738 -3.320 1.00 5.42 O ATOM 543 ND2 ASN A 34 -1.742 -14.497 -3.476 1.00 71.23 N ATOM 0 H ASN A 34 -3.164 -17.972 -5.488 1.00 73.41 H new ATOM 0 HA ASN A 34 -4.303 -17.758 -3.589 1.00 61.42 H new ATOM 0 HB2 ASN A 34 -4.191 -14.752 -4.014 1.00 2.21 H new ATOM 0 HB3 ASN A 34 -4.277 -15.612 -2.490 1.00 2.21 H new ATOM 0 HD21 ASN A 34 -0.724 -14.447 -3.429 1.00 71.23 H new ATOM 0 HD22 ASN A 34 -2.291 -13.642 -3.563 1.00 71.23 H new ATOM 550 N MET A 35 -6.475 -17.522 -5.359 1.00 40.23 N ATOM 551 CA MET A 35 -7.892 -17.444 -5.697 1.00 65.42 C ATOM 552 C MET A 35 -8.622 -18.713 -5.270 1.00 74.44 C ATOM 553 O MET A 35 -9.852 -18.777 -5.308 1.00 23.12 O ATOM 554 CB MET A 35 -8.068 -17.222 -7.201 1.00 3.45 C ATOM 555 CG MET A 35 -8.409 -15.786 -7.566 1.00 65.13 C ATOM 556 SD MET A 35 -7.051 -14.645 -7.239 1.00 14.11 S ATOM 557 CE MET A 35 -7.668 -13.792 -5.790 1.00 34.02 C ATOM 0 H MET A 35 -5.965 -18.259 -5.846 1.00 40.23 H new ATOM 0 HA MET A 35 -8.323 -16.599 -5.160 1.00 65.42 H new ATOM 0 HB2 MET A 35 -7.150 -17.510 -7.713 1.00 3.45 H new ATOM 0 HB3 MET A 35 -8.857 -17.879 -7.567 1.00 3.45 H new ATOM 0 HG2 MET A 35 -8.674 -15.737 -8.622 1.00 65.13 H new ATOM 0 HG3 MET A 35 -9.287 -15.471 -7.002 1.00 65.13 H new ATOM 0 HE1 MET A 35 -6.845 -13.604 -5.101 1.00 34.02 H new ATOM 0 HE2 MET A 35 -8.115 -12.844 -6.089 1.00 34.02 H new ATOM 0 HE3 MET A 35 -8.420 -14.409 -5.298 1.00 34.02 H new ATOM 567 N THR A 36 -7.859 -19.723 -4.865 1.00 24.14 N ATOM 568 CA THR A 36 -8.433 -20.991 -4.432 1.00 54.51 C ATOM 569 C THR A 36 -8.143 -21.251 -2.959 1.00 34.55 C ATOM 570 O THR A 36 -8.429 -22.332 -2.443 1.00 13.42 O ATOM 571 CB THR A 36 -7.892 -22.167 -5.266 1.00 41.34 C ATOM 572 OG1 THR A 36 -6.505 -22.375 -4.977 1.00 32.32 O ATOM 573 CG2 THR A 36 -8.070 -21.903 -6.754 1.00 14.42 C ATOM 0 H THR A 36 -6.840 -19.687 -4.828 1.00 24.14 H new ATOM 0 HA THR A 36 -9.510 -20.917 -4.580 1.00 54.51 H new ATOM 0 HB THR A 36 -8.457 -23.061 -5.001 1.00 41.34 H new ATOM 0 HG1 THR A 36 -6.289 -23.326 -5.075 1.00 32.32 H new ATOM 0 HG21 THR A 36 -7.680 -22.747 -7.323 1.00 14.42 H new ATOM 0 HG22 THR A 36 -9.129 -21.773 -6.976 1.00 14.42 H new ATOM 0 HG23 THR A 36 -7.528 -20.999 -7.030 1.00 14.42 H new ATOM 581 N GLN A 37 -7.575 -20.256 -2.287 1.00 0.53 N ATOM 582 CA GLN A 37 -7.247 -20.379 -0.871 1.00 43.14 C ATOM 583 C GLN A 37 -8.512 -20.410 -0.020 1.00 5.32 C ATOM 584 O GLN A 37 -8.547 -21.044 1.034 1.00 53.22 O ATOM 585 CB GLN A 37 -6.349 -19.221 -0.431 1.00 55.34 C ATOM 586 CG GLN A 37 -4.909 -19.355 -0.899 1.00 73.21 C ATOM 587 CD GLN A 37 -4.079 -20.236 0.014 1.00 50.40 C ATOM 588 OE1 GLN A 37 -3.925 -19.948 1.201 1.00 1.23 O ATOM 589 NE2 GLN A 37 -3.539 -21.317 -0.536 1.00 44.54 N ATOM 0 H GLN A 37 -7.332 -19.355 -2.700 1.00 0.53 H new ATOM 0 HA GLN A 37 -6.712 -21.318 -0.728 1.00 43.14 H new ATOM 0 HB2 GLN A 37 -6.761 -18.287 -0.814 1.00 55.34 H new ATOM 0 HB3 GLN A 37 -6.364 -19.154 0.657 1.00 55.34 H new ATOM 0 HG2 GLN A 37 -4.896 -19.768 -1.907 1.00 73.21 H new ATOM 0 HG3 GLN A 37 -4.455 -18.366 -0.954 1.00 73.21 H new ATOM 0 HE21 GLN A 37 -3.693 -21.517 -1.524 1.00 44.54 H new ATOM 0 HE22 GLN A 37 -2.970 -21.947 0.030 1.00 44.54 H new ATOM 598 N GLY A 38 -9.549 -19.719 -0.484 1.00 62.31 N ATOM 599 CA GLY A 38 -10.801 -19.680 0.248 1.00 74.42 C ATOM 600 C GLY A 38 -11.874 -20.539 -0.393 1.00 0.14 C ATOM 601 O GLY A 38 -12.589 -21.266 0.296 1.00 34.51 O ATOM 0 H GLY A 38 -9.544 -19.186 -1.354 1.00 62.31 H new ATOM 0 HA2 GLY A 38 -10.631 -20.018 1.270 1.00 74.42 H new ATOM 0 HA3 GLY A 38 -11.152 -18.650 0.307 1.00 74.42 H new ATOM 605 N ARG A 39 -11.987 -20.454 -1.714 1.00 54.40 N ATOM 606 CA ARG A 39 -12.983 -21.227 -2.447 1.00 5.10 C ATOM 607 C ARG A 39 -12.508 -21.515 -3.868 1.00 71.42 C ATOM 608 O ARG A 39 -11.683 -20.786 -4.419 1.00 25.22 O ATOM 609 CB ARG A 39 -14.315 -20.477 -2.485 1.00 53.12 C ATOM 610 CG ARG A 39 -14.173 -18.973 -2.319 1.00 2.22 C ATOM 611 CD ARG A 39 -15.526 -18.300 -2.151 1.00 73.22 C ATOM 612 NE ARG A 39 -15.438 -17.086 -1.345 1.00 42.51 N ATOM 613 CZ ARG A 39 -16.406 -16.179 -1.273 1.00 71.12 C ATOM 614 NH1 ARG A 39 -17.530 -16.350 -1.955 1.00 14.30 N ATOM 615 NH2 ARG A 39 -16.251 -15.099 -0.518 1.00 31.45 N ATOM 0 H ARG A 39 -11.401 -19.858 -2.299 1.00 54.40 H new ATOM 0 HA ARG A 39 -13.124 -22.176 -1.929 1.00 5.10 H new ATOM 0 HB2 ARG A 39 -14.812 -20.684 -3.433 1.00 53.12 H new ATOM 0 HB3 ARG A 39 -14.961 -20.862 -1.696 1.00 53.12 H new ATOM 0 HG2 ARG A 39 -13.549 -18.759 -1.451 1.00 2.22 H new ATOM 0 HG3 ARG A 39 -13.664 -18.557 -3.188 1.00 2.22 H new ATOM 0 HD2 ARG A 39 -15.933 -18.055 -3.132 1.00 73.22 H new ATOM 0 HD3 ARG A 39 -16.221 -18.996 -1.682 1.00 73.22 H new ATOM 0 HE ARG A 39 -14.586 -16.925 -0.807 1.00 42.51 H new ATOM 0 HH11 ARG A 39 -17.653 -17.179 -2.536 1.00 14.30 H new ATOM 0 HH12 ARG A 39 -18.272 -15.652 -1.898 1.00 14.30 H new ATOM 0 HH21 ARG A 39 -15.388 -14.964 0.008 1.00 31.45 H new ATOM 0 HH22 ARG A 39 -16.995 -14.404 -0.464 1.00 31.45 H new ATOM 629 N CYS A 40 -13.035 -22.584 -4.457 1.00 1.12 N ATOM 630 CA CYS A 40 -12.666 -22.971 -5.813 1.00 45.51 C ATOM 631 C CYS A 40 -13.355 -22.077 -6.840 1.00 42.02 C ATOM 632 O CYS A 40 -14.571 -22.140 -7.018 1.00 75.11 O ATOM 633 CB CYS A 40 -13.032 -24.434 -6.066 1.00 73.24 C ATOM 634 SG CYS A 40 -11.597 -25.548 -6.197 1.00 70.40 S ATOM 0 H CYS A 40 -13.720 -23.198 -4.015 1.00 1.12 H new ATOM 0 HA CYS A 40 -11.588 -22.851 -5.918 1.00 45.51 H new ATOM 0 HB2 CYS A 40 -13.675 -24.781 -5.258 1.00 73.24 H new ATOM 0 HB3 CYS A 40 -13.613 -24.498 -6.986 1.00 73.24 H new ATOM 639 N LYS A 41 -12.569 -21.245 -7.514 1.00 45.35 N ATOM 640 CA LYS A 41 -13.101 -20.339 -8.525 1.00 44.43 C ATOM 641 C LYS A 41 -13.949 -21.096 -9.542 1.00 41.51 C ATOM 642 O LYS A 41 -13.554 -22.140 -10.061 1.00 51.22 O ATOM 643 CB LYS A 41 -11.959 -19.610 -9.239 1.00 32.44 C ATOM 644 CG LYS A 41 -12.319 -18.203 -9.682 1.00 4.22 C ATOM 645 CD LYS A 41 -12.535 -17.282 -8.493 1.00 34.14 C ATOM 646 CE LYS A 41 -11.267 -17.130 -7.667 1.00 33.54 C ATOM 647 NZ LYS A 41 -11.431 -16.127 -6.579 1.00 4.42 N ATOM 0 H LYS A 41 -11.560 -21.179 -7.378 1.00 45.35 H new ATOM 0 HA LYS A 41 -13.734 -19.607 -8.023 1.00 44.43 H new ATOM 0 HB2 LYS A 41 -11.097 -19.563 -8.574 1.00 32.44 H new ATOM 0 HB3 LYS A 41 -11.657 -20.190 -10.111 1.00 32.44 H new ATOM 0 HG2 LYS A 41 -11.524 -17.804 -10.312 1.00 4.22 H new ATOM 0 HG3 LYS A 41 -13.223 -18.232 -10.290 1.00 4.22 H new ATOM 0 HD2 LYS A 41 -12.861 -16.303 -8.844 1.00 34.14 H new ATOM 0 HD3 LYS A 41 -13.334 -17.678 -7.866 1.00 34.14 H new ATOM 0 HE2 LYS A 41 -10.997 -18.094 -7.235 1.00 33.54 H new ATOM 0 HE3 LYS A 41 -10.444 -16.830 -8.316 1.00 33.54 H new ATOM 0 HZ1 LYS A 41 -10.740 -16.316 -5.825 1.00 4.42 H new ATOM 0 HZ2 LYS A 41 -11.275 -15.172 -6.961 1.00 4.42 H new ATOM 0 HZ3 LYS A 41 -12.393 -16.191 -6.190 1.00 4.42 H new ATOM 661 N PRO A 42 -15.142 -20.558 -9.836 1.00 12.12 N ATOM 662 CA PRO A 42 -16.070 -21.166 -10.795 1.00 2.45 C ATOM 663 C PRO A 42 -15.564 -21.071 -12.230 1.00 73.20 C ATOM 664 O PRO A 42 -15.565 -22.059 -12.965 1.00 53.54 O ATOM 665 CB PRO A 42 -17.348 -20.341 -10.622 1.00 71.35 C ATOM 666 CG PRO A 42 -16.883 -19.024 -10.106 1.00 3.12 C ATOM 667 CD PRO A 42 -15.677 -19.315 -9.255 1.00 74.11 C ATOM 0 HA PRO A 42 -16.206 -22.232 -10.612 1.00 2.45 H new ATOM 0 HB2 PRO A 42 -17.879 -20.230 -11.568 1.00 71.35 H new ATOM 0 HB3 PRO A 42 -18.036 -20.819 -9.924 1.00 71.35 H new ATOM 0 HG2 PRO A 42 -16.629 -18.351 -10.925 1.00 3.12 H new ATOM 0 HG3 PRO A 42 -17.664 -18.536 -9.523 1.00 3.12 H new ATOM 0 HD2 PRO A 42 -14.949 -18.505 -9.299 1.00 74.11 H new ATOM 0 HD3 PRO A 42 -15.947 -19.445 -8.207 1.00 74.11 H new ATOM 675 N VAL A 43 -15.132 -19.877 -12.623 1.00 60.21 N ATOM 676 CA VAL A 43 -14.622 -19.654 -13.971 1.00 21.44 C ATOM 677 C VAL A 43 -13.678 -18.458 -14.010 1.00 52.31 C ATOM 678 O VAL A 43 -13.688 -17.617 -13.112 1.00 51.23 O ATOM 679 CB VAL A 43 -15.768 -19.424 -14.974 1.00 1.24 C ATOM 680 CG1 VAL A 43 -15.236 -19.412 -16.399 1.00 33.23 C ATOM 681 CG2 VAL A 43 -16.844 -20.486 -14.806 1.00 1.02 C ATOM 0 H VAL A 43 -15.125 -19.049 -12.027 1.00 60.21 H new ATOM 0 HA VAL A 43 -14.076 -20.553 -14.256 1.00 21.44 H new ATOM 0 HB VAL A 43 -16.216 -18.451 -14.771 1.00 1.24 H new ATOM 0 HG11 VAL A 43 -16.060 -19.248 -17.094 1.00 33.23 H new ATOM 0 HG12 VAL A 43 -14.505 -18.611 -16.508 1.00 33.23 H new ATOM 0 HG13 VAL A 43 -14.761 -20.368 -16.618 1.00 33.23 H new ATOM 0 HG21 VAL A 43 -17.646 -20.308 -15.523 1.00 1.02 H new ATOM 0 HG22 VAL A 43 -16.413 -21.472 -14.981 1.00 1.02 H new ATOM 0 HG23 VAL A 43 -17.245 -20.440 -13.794 1.00 1.02 H new ATOM 691 N ASN A 44 -12.864 -18.388 -15.058 1.00 5.21 N ATOM 692 CA ASN A 44 -11.912 -17.293 -15.215 1.00 35.40 C ATOM 693 C ASN A 44 -11.304 -17.298 -16.614 1.00 61.10 C ATOM 694 O ASN A 44 -11.600 -18.172 -17.429 1.00 65.45 O ATOM 695 CB ASN A 44 -10.805 -17.398 -14.165 1.00 0.25 C ATOM 696 CG ASN A 44 -10.856 -16.266 -13.156 1.00 42.04 C ATOM 697 OD1 ASN A 44 -11.226 -16.467 -11.999 1.00 43.55 O ATOM 698 ND2 ASN A 44 -10.483 -15.068 -13.593 1.00 34.35 N ATOM 0 H ASN A 44 -12.844 -19.076 -15.811 1.00 5.21 H new ATOM 0 HA ASN A 44 -12.449 -16.355 -15.075 1.00 35.40 H new ATOM 0 HB2 ASN A 44 -10.892 -18.351 -13.643 1.00 0.25 H new ATOM 0 HB3 ASN A 44 -9.835 -17.395 -14.662 1.00 0.25 H new ATOM 0 HD21 ASN A 44 -10.496 -14.268 -12.961 1.00 34.35 H new ATOM 0 HD22 ASN A 44 -10.184 -14.949 -14.561 1.00 34.35 H new ATOM 705 N THR A 45 -10.451 -16.315 -16.886 1.00 23.42 N ATOM 706 CA THR A 45 -9.800 -16.205 -18.185 1.00 75.24 C ATOM 707 C THR A 45 -8.506 -15.407 -18.087 1.00 3.25 C ATOM 708 O THR A 45 -8.524 -14.207 -17.812 1.00 10.23 O ATOM 709 CB THR A 45 -10.724 -15.537 -19.221 1.00 75.10 C ATOM 710 OG1 THR A 45 -12.029 -16.125 -19.165 1.00 62.34 O ATOM 711 CG2 THR A 45 -10.157 -15.681 -20.625 1.00 71.21 C ATOM 0 H THR A 45 -10.195 -15.583 -16.223 1.00 23.42 H new ATOM 0 HA THR A 45 -9.573 -17.220 -18.511 1.00 75.24 H new ATOM 0 HB THR A 45 -10.794 -14.476 -18.982 1.00 75.10 H new ATOM 0 HG1 THR A 45 -12.611 -15.694 -19.825 1.00 62.34 H new ATOM 0 HG21 THR A 45 -10.827 -15.202 -21.339 1.00 71.21 H new ATOM 0 HG22 THR A 45 -9.177 -15.206 -20.672 1.00 71.21 H new ATOM 0 HG23 THR A 45 -10.060 -16.738 -20.872 1.00 71.21 H new ATOM 719 N PHE A 46 -7.382 -16.080 -18.313 1.00 13.31 N ATOM 720 CA PHE A 46 -6.077 -15.432 -18.249 1.00 33.21 C ATOM 721 C PHE A 46 -5.795 -14.650 -19.528 1.00 62.13 C ATOM 722 O PHE A 46 -6.613 -14.625 -20.448 1.00 32.14 O ATOM 723 CB PHE A 46 -4.979 -16.473 -18.021 1.00 2.43 C ATOM 724 CG PHE A 46 -4.833 -16.885 -16.584 1.00 4.22 C ATOM 725 CD1 PHE A 46 -4.743 -15.932 -15.582 1.00 34.23 C ATOM 726 CD2 PHE A 46 -4.784 -18.225 -16.235 1.00 61.03 C ATOM 727 CE1 PHE A 46 -4.609 -16.308 -14.258 1.00 72.13 C ATOM 728 CE2 PHE A 46 -4.650 -18.607 -14.914 1.00 13.22 C ATOM 729 CZ PHE A 46 -4.562 -17.647 -13.924 1.00 64.32 C ATOM 0 H PHE A 46 -7.349 -17.073 -18.542 1.00 13.31 H new ATOM 0 HA PHE A 46 -6.086 -14.734 -17.412 1.00 33.21 H new ATOM 0 HB2 PHE A 46 -5.195 -17.355 -18.623 1.00 2.43 H new ATOM 0 HB3 PHE A 46 -4.029 -16.071 -18.374 1.00 2.43 H new ATOM 0 HD1 PHE A 46 -4.778 -14.883 -15.838 1.00 34.23 H new ATOM 0 HD2 PHE A 46 -4.851 -18.980 -17.005 1.00 61.03 H new ATOM 0 HE1 PHE A 46 -4.541 -15.555 -13.486 1.00 72.13 H new ATOM 0 HE2 PHE A 46 -4.614 -19.655 -14.655 1.00 13.22 H new ATOM 0 HZ PHE A 46 -4.457 -17.943 -12.891 1.00 64.32 H new ATOM 739 N VAL A 47 -4.630 -14.011 -19.579 1.00 71.54 N ATOM 740 CA VAL A 47 -4.238 -13.229 -20.745 1.00 50.43 C ATOM 741 C VAL A 47 -2.741 -13.346 -21.008 1.00 61.10 C ATOM 742 O VAL A 47 -1.942 -13.450 -20.076 1.00 73.23 O ATOM 743 CB VAL A 47 -4.603 -11.742 -20.572 1.00 25.24 C ATOM 744 CG1 VAL A 47 -4.475 -11.003 -21.895 1.00 1.12 C ATOM 745 CG2 VAL A 47 -6.008 -11.601 -20.006 1.00 24.20 C ATOM 0 H VAL A 47 -3.942 -14.020 -18.826 1.00 71.54 H new ATOM 0 HA VAL A 47 -4.786 -13.634 -21.596 1.00 50.43 H new ATOM 0 HB VAL A 47 -3.905 -11.294 -19.865 1.00 25.24 H new ATOM 0 HG11 VAL A 47 -4.737 -9.954 -21.753 1.00 1.12 H new ATOM 0 HG12 VAL A 47 -3.448 -11.075 -22.254 1.00 1.12 H new ATOM 0 HG13 VAL A 47 -5.148 -11.449 -22.627 1.00 1.12 H new ATOM 0 HG21 VAL A 47 -6.249 -10.544 -19.890 1.00 24.20 H new ATOM 0 HG22 VAL A 47 -6.723 -12.064 -20.687 1.00 24.20 H new ATOM 0 HG23 VAL A 47 -6.060 -12.094 -19.035 1.00 24.20 H new ATOM 755 N HIS A 48 -2.366 -13.328 -22.283 1.00 72.33 N ATOM 756 CA HIS A 48 -0.963 -13.432 -22.669 1.00 55.25 C ATOM 757 C HIS A 48 -0.502 -12.165 -23.383 1.00 64.04 C ATOM 758 O HIS A 48 0.519 -12.166 -24.070 1.00 63.33 O ATOM 759 CB HIS A 48 -0.750 -14.647 -23.573 1.00 4.15 C ATOM 760 CG HIS A 48 -0.787 -15.952 -22.839 1.00 64.21 C ATOM 761 ND1 HIS A 48 0.190 -16.342 -21.947 1.00 60.43 N ATOM 762 CD2 HIS A 48 -1.691 -16.959 -22.868 1.00 14.41 C ATOM 763 CE1 HIS A 48 -0.111 -17.533 -21.461 1.00 14.14 C ATOM 764 NE2 HIS A 48 -1.249 -17.929 -22.003 1.00 2.11 N ATOM 0 H HIS A 48 -3.014 -13.242 -23.066 1.00 72.33 H new ATOM 0 HA HIS A 48 -0.370 -13.554 -21.763 1.00 55.25 H new ATOM 0 HB2 HIS A 48 -1.517 -14.653 -24.347 1.00 4.15 H new ATOM 0 HB3 HIS A 48 0.211 -14.550 -24.078 1.00 4.15 H new ATOM 0 HD1 HIS A 48 1.016 -15.796 -21.701 1.00 60.43 H new ATOM 0 HD2 HIS A 48 -2.593 -16.993 -23.461 1.00 14.41 H new ATOM 0 HE1 HIS A 48 0.474 -18.089 -20.743 1.00 14.14 H new ATOM 772 N GLU A 49 -1.261 -11.087 -23.216 1.00 40.20 N ATOM 773 CA GLU A 49 -0.929 -9.814 -23.846 1.00 73.43 C ATOM 774 C GLU A 49 -0.530 -8.777 -22.801 1.00 22.12 C ATOM 775 O GLU A 49 -1.028 -8.769 -21.675 1.00 73.51 O ATOM 776 CB GLU A 49 -2.116 -9.300 -24.664 1.00 12.15 C ATOM 777 CG GLU A 49 -1.832 -9.199 -26.153 1.00 21.13 C ATOM 778 CD GLU A 49 -0.946 -10.322 -26.655 1.00 24.43 C ATOM 779 OE1 GLU A 49 -1.486 -11.395 -26.999 1.00 4.24 O ATOM 780 OE2 GLU A 49 0.287 -10.130 -26.704 1.00 1.44 O ATOM 0 H GLU A 49 -2.110 -11.069 -22.650 1.00 40.20 H new ATOM 0 HA GLU A 49 -0.082 -9.977 -24.512 1.00 73.43 H new ATOM 0 HB2 GLU A 49 -2.967 -9.963 -24.509 1.00 12.15 H new ATOM 0 HB3 GLU A 49 -2.405 -8.318 -24.291 1.00 12.15 H new ATOM 0 HG2 GLU A 49 -2.774 -9.212 -26.701 1.00 21.13 H new ATOM 0 HG3 GLU A 49 -1.354 -8.242 -26.364 1.00 21.13 H new ATOM 787 N PRO A 50 0.392 -7.880 -23.180 1.00 43.02 N ATOM 788 CA PRO A 50 0.880 -6.821 -22.291 1.00 72.40 C ATOM 789 C PRO A 50 -0.181 -5.761 -22.016 1.00 41.13 C ATOM 790 O PRO A 50 -0.918 -5.357 -22.917 1.00 62.30 O ATOM 791 CB PRO A 50 2.052 -6.217 -23.068 1.00 53.14 C ATOM 792 CG PRO A 50 1.749 -6.509 -24.498 1.00 23.34 C ATOM 793 CD PRO A 50 1.030 -7.830 -24.507 1.00 14.42 C ATOM 0 HA PRO A 50 1.156 -7.207 -21.310 1.00 72.40 H new ATOM 0 HB2 PRO A 50 2.133 -5.144 -22.892 1.00 53.14 H new ATOM 0 HB3 PRO A 50 3.000 -6.663 -22.765 1.00 53.14 H new ATOM 0 HG2 PRO A 50 1.130 -5.725 -24.934 1.00 23.34 H new ATOM 0 HG3 PRO A 50 2.664 -6.558 -25.089 1.00 23.34 H new ATOM 0 HD2 PRO A 50 0.294 -7.881 -25.309 1.00 14.42 H new ATOM 0 HD3 PRO A 50 1.719 -8.662 -24.653 1.00 14.42 H new ATOM 801 N LEU A 51 -0.253 -5.313 -20.768 1.00 11.31 N ATOM 802 CA LEU A 51 -1.224 -4.298 -20.374 1.00 52.45 C ATOM 803 C LEU A 51 -1.300 -3.184 -21.414 1.00 64.23 C ATOM 804 O LEU A 51 -2.341 -2.969 -22.035 1.00 31.15 O ATOM 805 CB LEU A 51 -0.855 -3.713 -19.010 1.00 54.40 C ATOM 806 CG LEU A 51 -1.961 -2.941 -18.289 1.00 55.25 C ATOM 807 CD1 LEU A 51 -3.108 -3.870 -17.921 1.00 5.03 C ATOM 808 CD2 LEU A 51 -1.410 -2.252 -17.049 1.00 74.33 C ATOM 0 H LEU A 51 0.349 -5.636 -20.011 1.00 11.31 H new ATOM 0 HA LEU A 51 -2.202 -4.774 -20.306 1.00 52.45 H new ATOM 0 HB2 LEU A 51 -0.528 -4.528 -18.364 1.00 54.40 H new ATOM 0 HB3 LEU A 51 -0.001 -3.048 -19.141 1.00 54.40 H new ATOM 0 HG LEU A 51 -2.343 -2.176 -18.965 1.00 55.25 H new ATOM 0 HD11 LEU A 51 -3.885 -3.303 -17.409 1.00 5.03 H new ATOM 0 HD12 LEU A 51 -3.520 -4.315 -18.826 1.00 5.03 H new ATOM 0 HD13 LEU A 51 -2.741 -4.658 -17.264 1.00 5.03 H new ATOM 0 HD21 LEU A 51 -2.211 -1.708 -16.549 1.00 74.33 H new ATOM 0 HD22 LEU A 51 -1.000 -2.999 -16.370 1.00 74.33 H new ATOM 0 HD23 LEU A 51 -0.624 -1.555 -17.339 1.00 74.33 H new ATOM 820 N VAL A 52 -0.188 -2.480 -21.601 1.00 41.15 N ATOM 821 CA VAL A 52 -0.127 -1.391 -22.569 1.00 3.33 C ATOM 822 C VAL A 52 -1.038 -1.662 -23.760 1.00 70.04 C ATOM 823 O VAL A 52 -1.639 -0.743 -24.317 1.00 35.21 O ATOM 824 CB VAL A 52 1.311 -1.170 -23.076 1.00 30.34 C ATOM 825 CG1 VAL A 52 1.686 -2.234 -24.096 1.00 44.22 C ATOM 826 CG2 VAL A 52 1.459 0.224 -23.667 1.00 23.53 C ATOM 0 H VAL A 52 0.682 -2.644 -21.095 1.00 41.15 H new ATOM 0 HA VAL A 52 -0.465 -0.492 -22.054 1.00 3.33 H new ATOM 0 HB VAL A 52 1.994 -1.255 -22.231 1.00 30.34 H new ATOM 0 HG11 VAL A 52 2.705 -2.062 -24.443 1.00 44.22 H new ATOM 0 HG12 VAL A 52 1.621 -3.219 -23.634 1.00 44.22 H new ATOM 0 HG13 VAL A 52 1.001 -2.184 -24.942 1.00 44.22 H new ATOM 0 HG21 VAL A 52 2.481 0.363 -24.020 1.00 23.53 H new ATOM 0 HG22 VAL A 52 0.768 0.341 -24.502 1.00 23.53 H new ATOM 0 HG23 VAL A 52 1.235 0.969 -22.903 1.00 23.53 H new ATOM 836 N ASP A 53 -1.136 -2.929 -24.147 1.00 22.34 N ATOM 837 CA ASP A 53 -1.976 -3.323 -25.272 1.00 3.01 C ATOM 838 C ASP A 53 -3.454 -3.199 -24.916 1.00 40.33 C ATOM 839 O ASP A 53 -4.210 -2.501 -25.593 1.00 64.21 O ATOM 840 CB ASP A 53 -1.659 -4.758 -25.695 1.00 20.44 C ATOM 841 CG ASP A 53 -1.597 -4.918 -27.201 1.00 33.11 C ATOM 842 OD1 ASP A 53 -0.677 -4.345 -27.822 1.00 20.45 O ATOM 843 OD2 ASP A 53 -2.469 -5.616 -27.759 1.00 61.52 O ATOM 0 H ASP A 53 -0.644 -3.701 -23.698 1.00 22.34 H new ATOM 0 HA ASP A 53 -1.764 -2.652 -26.104 1.00 3.01 H new ATOM 0 HB2 ASP A 53 -0.706 -5.059 -25.261 1.00 20.44 H new ATOM 0 HB3 ASP A 53 -2.418 -5.428 -25.292 1.00 20.44 H new ATOM 848 N VAL A 54 -3.860 -3.881 -23.850 1.00 54.22 N ATOM 849 CA VAL A 54 -5.248 -3.847 -23.404 1.00 71.14 C ATOM 850 C VAL A 54 -5.684 -2.425 -23.071 1.00 42.42 C ATOM 851 O VAL A 54 -6.818 -2.033 -23.344 1.00 32.21 O ATOM 852 CB VAL A 54 -5.462 -4.741 -22.168 1.00 55.24 C ATOM 853 CG1 VAL A 54 -6.881 -4.589 -21.639 1.00 65.43 C ATOM 854 CG2 VAL A 54 -5.162 -6.194 -22.504 1.00 0.14 C ATOM 0 H VAL A 54 -3.248 -4.464 -23.279 1.00 54.22 H new ATOM 0 HA VAL A 54 -5.854 -4.226 -24.227 1.00 71.14 H new ATOM 0 HB VAL A 54 -4.772 -4.423 -21.386 1.00 55.24 H new ATOM 0 HG11 VAL A 54 -7.014 -5.228 -20.766 1.00 65.43 H new ATOM 0 HG12 VAL A 54 -7.055 -3.550 -21.359 1.00 65.43 H new ATOM 0 HG13 VAL A 54 -7.591 -4.880 -22.413 1.00 65.43 H new ATOM 0 HG21 VAL A 54 -5.318 -6.812 -21.620 1.00 0.14 H new ATOM 0 HG22 VAL A 54 -5.826 -6.528 -23.302 1.00 0.14 H new ATOM 0 HG23 VAL A 54 -4.127 -6.285 -22.832 1.00 0.14 H new ATOM 864 N GLN A 55 -4.775 -1.656 -22.480 1.00 65.24 N ATOM 865 CA GLN A 55 -5.066 -0.276 -22.110 1.00 24.33 C ATOM 866 C GLN A 55 -5.510 0.531 -23.325 1.00 12.54 C ATOM 867 O GLN A 55 -6.499 1.262 -23.268 1.00 64.35 O ATOM 868 CB GLN A 55 -3.836 0.373 -21.473 1.00 1.22 C ATOM 869 CG GLN A 55 -3.271 -0.413 -20.301 1.00 23.20 C ATOM 870 CD GLN A 55 -2.239 0.372 -19.515 1.00 32.43 C ATOM 871 OE1 GLN A 55 -2.487 1.505 -19.101 1.00 71.33 O ATOM 872 NE2 GLN A 55 -1.073 -0.228 -19.304 1.00 34.24 N ATOM 0 H GLN A 55 -3.831 -1.965 -22.247 1.00 65.24 H new ATOM 0 HA GLN A 55 -5.880 -0.284 -21.385 1.00 24.33 H new ATOM 0 HB2 GLN A 55 -3.061 0.486 -22.231 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -4.099 1.375 -21.135 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -4.085 -0.703 -19.636 1.00 23.20 H new ATOM 0 HG3 GLN A 55 -2.818 -1.333 -20.670 1.00 23.20 H new ATOM 0 HE21 GLN A 55 -0.910 -1.168 -19.665 1.00 34.24 H new ATOM 0 HE22 GLN A 55 -0.340 0.251 -18.781 1.00 34.24 H new ATOM 881 N ASN A 56 -4.773 0.395 -24.422 1.00 4.12 N ATOM 882 CA ASN A 56 -5.091 1.113 -25.651 1.00 4.44 C ATOM 883 C ASN A 56 -6.552 0.908 -26.038 1.00 41.02 C ATOM 884 O ASN A 56 -7.133 1.717 -26.762 1.00 31.13 O ATOM 885 CB ASN A 56 -4.179 0.648 -26.788 1.00 54.32 C ATOM 886 CG ASN A 56 -2.779 1.220 -26.678 1.00 51.00 C ATOM 887 OD1 ASN A 56 -2.597 2.436 -26.611 1.00 25.34 O ATOM 888 ND2 ASN A 56 -1.782 0.343 -26.659 1.00 40.24 N ATOM 0 H ASN A 56 -3.951 -0.206 -24.485 1.00 4.12 H new ATOM 0 HA ASN A 56 -4.927 2.176 -25.475 1.00 4.44 H new ATOM 0 HB2 ASN A 56 -4.125 -0.441 -26.784 1.00 54.32 H new ATOM 0 HB3 ASN A 56 -4.615 0.942 -27.743 1.00 54.32 H new ATOM 0 HD21 ASN A 56 -0.818 0.668 -26.586 1.00 40.24 H new ATOM 0 HD22 ASN A 56 -1.980 -0.656 -26.717 1.00 40.24 H new ATOM 895 N VAL A 57 -7.140 -0.180 -25.551 1.00 14.20 N ATOM 896 CA VAL A 57 -8.534 -0.491 -25.844 1.00 72.33 C ATOM 897 C VAL A 57 -9.470 0.538 -25.221 1.00 33.22 C ATOM 898 O VAL A 57 -10.460 0.944 -25.831 1.00 63.32 O ATOM 899 CB VAL A 57 -8.916 -1.893 -25.332 1.00 42.14 C ATOM 900 CG1 VAL A 57 -10.366 -2.207 -25.667 1.00 62.53 C ATOM 901 CG2 VAL A 57 -7.985 -2.945 -25.916 1.00 42.35 C ATOM 0 H VAL A 57 -6.673 -0.861 -24.952 1.00 14.20 H new ATOM 0 HA VAL A 57 -8.642 -0.466 -26.928 1.00 72.33 H new ATOM 0 HB VAL A 57 -8.808 -1.907 -24.247 1.00 42.14 H new ATOM 0 HG11 VAL A 57 -10.618 -3.201 -25.298 1.00 62.53 H new ATOM 0 HG12 VAL A 57 -11.016 -1.470 -25.196 1.00 62.53 H new ATOM 0 HG13 VAL A 57 -10.505 -2.176 -26.748 1.00 62.53 H new ATOM 0 HG21 VAL A 57 -8.269 -3.929 -25.544 1.00 42.35 H new ATOM 0 HG22 VAL A 57 -8.059 -2.933 -27.003 1.00 42.35 H new ATOM 0 HG23 VAL A 57 -6.959 -2.727 -25.620 1.00 42.35 H new ATOM 911 N CYS A 58 -9.151 0.957 -24.001 1.00 14.12 N ATOM 912 CA CYS A 58 -9.963 1.940 -23.293 1.00 30.52 C ATOM 913 C CYS A 58 -10.057 3.240 -24.085 1.00 53.15 C ATOM 914 O CYS A 58 -10.966 4.044 -23.875 1.00 30.30 O ATOM 915 CB CYS A 58 -9.375 2.215 -21.908 1.00 4.13 C ATOM 916 SG CYS A 58 -10.622 2.400 -20.593 1.00 52.22 S ATOM 0 H CYS A 58 -8.336 0.631 -23.482 1.00 14.12 H new ATOM 0 HA CYS A 58 -10.967 1.531 -23.180 1.00 30.52 H new ATOM 0 HB2 CYS A 58 -8.701 1.400 -21.643 1.00 4.13 H new ATOM 0 HB3 CYS A 58 -8.774 3.123 -21.954 1.00 4.13 H new ATOM 921 N PHE A 59 -9.112 3.440 -24.998 1.00 11.11 N ATOM 922 CA PHE A 59 -9.087 4.643 -25.822 1.00 75.11 C ATOM 923 C PHE A 59 -9.438 4.317 -27.271 1.00 23.40 C ATOM 924 O PHE A 59 -9.506 5.206 -28.119 1.00 5.13 O ATOM 925 CB PHE A 59 -7.709 5.304 -25.755 1.00 54.52 C ATOM 926 CG PHE A 59 -7.129 5.342 -24.370 1.00 52.44 C ATOM 927 CD1 PHE A 59 -7.683 6.156 -23.395 1.00 40.11 C ATOM 928 CD2 PHE A 59 -6.031 4.564 -24.044 1.00 4.04 C ATOM 929 CE1 PHE A 59 -7.150 6.193 -22.120 1.00 55.43 C ATOM 930 CE2 PHE A 59 -5.494 4.597 -22.770 1.00 60.22 C ATOM 931 CZ PHE A 59 -6.055 5.412 -21.807 1.00 75.11 C ATOM 0 H PHE A 59 -8.353 2.784 -25.186 1.00 11.11 H new ATOM 0 HA PHE A 59 -9.833 5.336 -25.433 1.00 75.11 H new ATOM 0 HB2 PHE A 59 -7.025 4.767 -26.412 1.00 54.52 H new ATOM 0 HB3 PHE A 59 -7.784 6.322 -26.137 1.00 54.52 H new ATOM 0 HD1 PHE A 59 -8.540 6.768 -23.634 1.00 40.11 H new ATOM 0 HD2 PHE A 59 -5.589 3.924 -24.793 1.00 4.04 H new ATOM 0 HE1 PHE A 59 -7.590 6.832 -21.369 1.00 55.43 H new ATOM 0 HE2 PHE A 59 -4.637 3.986 -22.529 1.00 60.22 H new ATOM 0 HZ PHE A 59 -5.638 5.439 -20.811 1.00 75.11 H new ATOM 941 N GLN A 60 -9.658 3.035 -27.546 1.00 12.10 N ATOM 942 CA GLN A 60 -10.000 2.591 -28.892 1.00 50.11 C ATOM 943 C GLN A 60 -11.510 2.612 -29.105 1.00 70.03 C ATOM 944 O GLN A 60 -12.023 3.403 -29.895 1.00 53.44 O ATOM 945 CB GLN A 60 -9.457 1.183 -29.140 1.00 75.45 C ATOM 946 CG GLN A 60 -7.958 1.143 -29.390 1.00 55.33 C ATOM 947 CD GLN A 60 -7.611 0.636 -30.776 1.00 22.32 C ATOM 948 OE1 GLN A 60 -8.058 1.187 -31.782 1.00 4.41 O ATOM 949 NE2 GLN A 60 -6.809 -0.421 -30.835 1.00 72.24 N ATOM 0 H GLN A 60 -9.606 2.286 -26.855 1.00 12.10 H new ATOM 0 HA GLN A 60 -9.542 3.280 -29.602 1.00 50.11 H new ATOM 0 HB2 GLN A 60 -9.690 0.556 -28.279 1.00 75.45 H new ATOM 0 HB3 GLN A 60 -9.971 0.750 -29.998 1.00 75.45 H new ATOM 0 HG2 GLN A 60 -7.545 2.143 -29.259 1.00 55.33 H new ATOM 0 HG3 GLN A 60 -7.486 0.503 -28.644 1.00 55.33 H new ATOM 0 HE21 GLN A 60 -6.462 -0.846 -29.975 1.00 72.24 H new ATOM 0 HE22 GLN A 60 -6.540 -0.807 -31.740 1.00 72.24 H new ATOM 958 N GLU A 61 -12.215 1.737 -28.395 1.00 72.35 N ATOM 959 CA GLU A 61 -13.667 1.655 -28.509 1.00 24.21 C ATOM 960 C GLU A 61 -14.321 1.648 -27.130 1.00 64.32 C ATOM 961 O GLU A 61 -13.637 1.652 -26.106 1.00 34.40 O ATOM 962 CB GLU A 61 -14.070 0.398 -29.283 1.00 41.22 C ATOM 963 CG GLU A 61 -15.455 0.483 -29.903 1.00 3.13 C ATOM 964 CD GLU A 61 -15.600 -0.396 -31.130 1.00 44.40 C ATOM 965 OE1 GLU A 61 -14.913 -1.436 -31.198 1.00 64.32 O ATOM 966 OE2 GLU A 61 -16.399 -0.043 -32.022 1.00 12.21 O ATOM 0 H GLU A 61 -11.805 1.076 -27.735 1.00 72.35 H new ATOM 0 HA GLU A 61 -14.014 2.534 -29.052 1.00 24.21 H new ATOM 0 HB2 GLU A 61 -13.339 0.217 -30.071 1.00 41.22 H new ATOM 0 HB3 GLU A 61 -14.034 -0.459 -28.611 1.00 41.22 H new ATOM 0 HG2 GLU A 61 -16.199 0.191 -29.162 1.00 3.13 H new ATOM 0 HG3 GLU A 61 -15.664 1.518 -30.175 1.00 3.13 H new ATOM 973 N LYS A 62 -15.649 1.638 -27.112 1.00 72.12 N ATOM 974 CA LYS A 62 -16.398 1.630 -25.861 1.00 61.40 C ATOM 975 C LYS A 62 -17.612 0.712 -25.960 1.00 15.22 C ATOM 976 O LYS A 62 -18.152 0.495 -27.045 1.00 31.22 O ATOM 977 CB LYS A 62 -16.845 3.048 -25.501 1.00 1.31 C ATOM 978 CG LYS A 62 -17.255 3.206 -24.047 1.00 2.11 C ATOM 979 CD LYS A 62 -17.603 4.648 -23.719 1.00 51.42 C ATOM 980 CE LYS A 62 -16.439 5.583 -24.010 1.00 22.21 C ATOM 981 NZ LYS A 62 -16.534 6.847 -23.228 1.00 65.14 N ATOM 0 H LYS A 62 -16.230 1.635 -27.951 1.00 72.12 H new ATOM 0 HA LYS A 62 -15.742 1.253 -25.076 1.00 61.40 H new ATOM 0 HB2 LYS A 62 -16.033 3.742 -25.718 1.00 1.31 H new ATOM 0 HB3 LYS A 62 -17.683 3.329 -26.139 1.00 1.31 H new ATOM 0 HG2 LYS A 62 -18.113 2.567 -23.839 1.00 2.11 H new ATOM 0 HG3 LYS A 62 -16.444 2.871 -23.401 1.00 2.11 H new ATOM 0 HD2 LYS A 62 -18.472 4.955 -24.301 1.00 51.42 H new ATOM 0 HD3 LYS A 62 -17.880 4.726 -22.668 1.00 51.42 H new ATOM 0 HE2 LYS A 62 -15.501 5.080 -23.774 1.00 22.21 H new ATOM 0 HE3 LYS A 62 -16.417 5.815 -25.075 1.00 22.21 H new ATOM 0 HZ1 LYS A 62 -15.723 7.457 -23.454 1.00 65.14 H new ATOM 0 HZ2 LYS A 62 -17.417 7.340 -23.471 1.00 65.14 H new ATOM 0 HZ3 LYS A 62 -16.529 6.628 -22.211 1.00 65.14 H new ATOM 995 N VAL A 63 -18.039 0.177 -24.820 1.00 41.40 N ATOM 996 CA VAL A 63 -19.192 -0.714 -24.778 1.00 64.31 C ATOM 997 C VAL A 63 -20.082 -0.405 -23.580 1.00 73.00 C ATOM 998 O VAL A 63 -19.775 0.474 -22.773 1.00 71.55 O ATOM 999 CB VAL A 63 -18.757 -2.191 -24.713 1.00 52.44 C ATOM 1000 CG1 VAL A 63 -17.634 -2.461 -25.703 1.00 11.30 C ATOM 1001 CG2 VAL A 63 -18.333 -2.559 -23.300 1.00 34.33 C ATOM 0 H VAL A 63 -17.603 0.346 -23.913 1.00 41.40 H new ATOM 0 HA VAL A 63 -19.754 -0.548 -25.697 1.00 64.31 H new ATOM 0 HB VAL A 63 -19.608 -2.815 -24.987 1.00 52.44 H new ATOM 0 HG11 VAL A 63 -17.340 -3.509 -25.643 1.00 11.30 H new ATOM 0 HG12 VAL A 63 -17.978 -2.238 -26.713 1.00 11.30 H new ATOM 0 HG13 VAL A 63 -16.778 -1.830 -25.464 1.00 11.30 H new ATOM 0 HG21 VAL A 63 -18.029 -3.605 -23.272 1.00 34.33 H new ATOM 0 HG22 VAL A 63 -17.497 -1.930 -22.996 1.00 34.33 H new ATOM 0 HG23 VAL A 63 -19.169 -2.406 -22.618 1.00 34.33 H new ATOM 1011 N THR A 64 -21.189 -1.134 -23.468 1.00 42.53 N ATOM 1012 CA THR A 64 -22.125 -0.937 -22.369 1.00 74.31 C ATOM 1013 C THR A 64 -21.885 -1.949 -21.255 1.00 20.14 C ATOM 1014 O THR A 64 -21.142 -2.915 -21.429 1.00 22.31 O ATOM 1015 CB THR A 64 -23.585 -1.054 -22.847 1.00 70.21 C ATOM 1016 OG1 THR A 64 -23.682 -0.670 -24.223 1.00 71.42 O ATOM 1017 CG2 THR A 64 -24.502 -0.179 -22.005 1.00 62.34 C ATOM 0 H THR A 64 -21.458 -1.866 -24.125 1.00 42.53 H new ATOM 0 HA THR A 64 -21.955 0.069 -21.985 1.00 74.31 H new ATOM 0 HB THR A 64 -23.898 -2.092 -22.737 1.00 70.21 H new ATOM 0 HG1 THR A 64 -24.613 -0.749 -24.520 1.00 71.42 H new ATOM 0 HG21 THR A 64 -25.527 -0.278 -22.361 1.00 62.34 H new ATOM 0 HG22 THR A 64 -24.448 -0.493 -20.963 1.00 62.34 H new ATOM 0 HG23 THR A 64 -24.188 0.862 -22.087 1.00 62.34 H new ATOM 1025 N CYS A 65 -22.519 -1.722 -20.109 1.00 24.01 N ATOM 1026 CA CYS A 65 -22.374 -2.614 -18.965 1.00 12.02 C ATOM 1027 C CYS A 65 -23.711 -2.808 -18.254 1.00 63.24 C ATOM 1028 O CYS A 65 -24.670 -2.078 -18.502 1.00 14.30 O ATOM 1029 CB CYS A 65 -21.339 -2.057 -17.985 1.00 35.21 C ATOM 1030 SG CYS A 65 -19.674 -2.768 -18.179 1.00 24.41 S ATOM 0 H CYS A 65 -23.138 -0.928 -19.948 1.00 24.01 H new ATOM 0 HA CYS A 65 -22.033 -3.582 -19.332 1.00 12.02 H new ATOM 0 HB2 CYS A 65 -21.278 -0.976 -18.113 1.00 35.21 H new ATOM 0 HB3 CYS A 65 -21.684 -2.239 -16.967 1.00 35.21 H new ATOM 1035 N LYS A 66 -23.766 -3.798 -17.370 1.00 24.03 N ATOM 1036 CA LYS A 66 -24.983 -4.089 -16.621 1.00 64.01 C ATOM 1037 C LYS A 66 -25.632 -2.804 -16.117 1.00 60.04 C ATOM 1038 O LYS A 66 -26.848 -2.637 -16.204 1.00 23.15 O ATOM 1039 CB LYS A 66 -24.671 -5.012 -15.441 1.00 34.21 C ATOM 1040 CG LYS A 66 -25.841 -5.890 -15.030 1.00 52.40 C ATOM 1041 CD LYS A 66 -25.977 -5.966 -13.519 1.00 20.25 C ATOM 1042 CE LYS A 66 -26.590 -7.287 -13.080 1.00 73.33 C ATOM 1043 NZ LYS A 66 -26.009 -7.770 -11.797 1.00 61.11 N ATOM 0 H LYS A 66 -22.981 -4.413 -17.154 1.00 24.03 H new ATOM 0 HA LYS A 66 -25.682 -4.589 -17.291 1.00 64.01 H new ATOM 0 HB2 LYS A 66 -23.825 -5.647 -15.701 1.00 34.21 H new ATOM 0 HB3 LYS A 66 -24.365 -4.407 -14.588 1.00 34.21 H new ATOM 0 HG2 LYS A 66 -26.762 -5.495 -15.460 1.00 52.40 H new ATOM 0 HG3 LYS A 66 -25.704 -6.893 -15.435 1.00 52.40 H new ATOM 0 HD2 LYS A 66 -24.996 -5.848 -13.058 1.00 20.25 H new ATOM 0 HD3 LYS A 66 -26.596 -5.141 -13.166 1.00 20.25 H new ATOM 0 HE2 LYS A 66 -27.668 -7.168 -12.968 1.00 73.33 H new ATOM 0 HE3 LYS A 66 -26.431 -8.036 -13.855 1.00 73.33 H new ATOM 0 HZ1 LYS A 66 -26.453 -8.672 -11.533 1.00 61.11 H new ATOM 0 HZ2 LYS A 66 -24.984 -7.909 -11.910 1.00 61.11 H new ATOM 0 HZ3 LYS A 66 -26.183 -7.067 -11.051 1.00 61.11 H new ATOM 1057 N ASN A 67 -24.813 -1.898 -15.593 1.00 64.41 N ATOM 1058 CA ASN A 67 -25.308 -0.628 -15.077 1.00 0.43 C ATOM 1059 C ASN A 67 -25.744 0.289 -16.215 1.00 52.43 C ATOM 1060 O ASN A 67 -26.599 1.156 -16.036 1.00 32.40 O ATOM 1061 CB ASN A 67 -24.230 0.061 -14.237 1.00 62.32 C ATOM 1062 CG ASN A 67 -22.878 0.067 -14.925 1.00 12.40 C ATOM 1063 OD1 ASN A 67 -22.760 0.469 -16.083 1.00 13.34 O ATOM 1064 ND2 ASN A 67 -21.850 -0.379 -14.213 1.00 71.41 N ATOM 0 H ASN A 67 -23.803 -2.020 -15.515 1.00 64.41 H new ATOM 0 HA ASN A 67 -26.174 -0.834 -14.447 1.00 0.43 H new ATOM 0 HB2 ASN A 67 -24.534 1.087 -14.031 1.00 62.32 H new ATOM 0 HB3 ASN A 67 -24.143 -0.445 -13.276 1.00 62.32 H new ATOM 0 HD21 ASN A 67 -20.916 -0.398 -14.622 1.00 71.41 H new ATOM 0 HD22 ASN A 67 -21.994 -0.703 -13.256 1.00 71.41 H new ATOM 1071 N GLY A 68 -25.150 0.091 -17.388 1.00 52.33 N ATOM 1072 CA GLY A 68 -25.490 0.907 -18.539 1.00 54.13 C ATOM 1073 C GLY A 68 -24.534 2.067 -18.731 1.00 44.10 C ATOM 1074 O GLY A 68 -24.887 3.077 -19.340 1.00 31.45 O ATOM 0 H GLY A 68 -24.439 -0.620 -17.562 1.00 52.33 H new ATOM 0 HA2 GLY A 68 -25.487 0.286 -19.435 1.00 54.13 H new ATOM 0 HA3 GLY A 68 -26.503 1.291 -18.421 1.00 54.13 H new ATOM 1078 N GLN A 69 -23.320 1.923 -18.209 1.00 43.33 N ATOM 1079 CA GLN A 69 -22.310 2.969 -18.325 1.00 14.34 C ATOM 1080 C GLN A 69 -21.190 2.543 -19.267 1.00 61.03 C ATOM 1081 O GLN A 69 -20.979 1.353 -19.499 1.00 53.45 O ATOM 1082 CB GLN A 69 -21.734 3.306 -16.948 1.00 35.51 C ATOM 1083 CG GLN A 69 -22.764 3.860 -15.977 1.00 10.13 C ATOM 1084 CD GLN A 69 -22.136 4.413 -14.713 1.00 4.12 C ATOM 1085 OE1 GLN A 69 -21.887 5.614 -14.604 1.00 5.13 O ATOM 1086 NE2 GLN A 69 -21.875 3.538 -13.749 1.00 34.23 N ATOM 0 H GLN A 69 -23.012 1.093 -17.702 1.00 43.33 H new ATOM 0 HA GLN A 69 -22.789 3.857 -18.738 1.00 14.34 H new ATOM 0 HB2 GLN A 69 -21.289 2.408 -16.520 1.00 35.51 H new ATOM 0 HB3 GLN A 69 -20.931 4.033 -17.067 1.00 35.51 H new ATOM 0 HG2 GLN A 69 -23.335 4.647 -16.469 1.00 10.13 H new ATOM 0 HG3 GLN A 69 -23.470 3.072 -15.713 1.00 10.13 H new ATOM 0 HE21 GLN A 69 -22.098 2.552 -13.882 1.00 34.23 H new ATOM 0 HE22 GLN A 69 -21.452 3.852 -12.876 1.00 34.23 H new ATOM 1095 N GLY A 70 -20.473 3.524 -19.809 1.00 33.53 N ATOM 1096 CA GLY A 70 -19.383 3.229 -20.721 1.00 14.44 C ATOM 1097 C GLY A 70 -18.084 2.938 -19.996 1.00 41.54 C ATOM 1098 O GLY A 70 -17.008 3.303 -20.468 1.00 62.42 O ATOM 0 H GLY A 70 -20.628 4.517 -19.633 1.00 33.53 H new ATOM 0 HA2 GLY A 70 -19.651 2.371 -21.338 1.00 14.44 H new ATOM 0 HA3 GLY A 70 -19.238 4.073 -21.395 1.00 14.44 H new ATOM 1102 N ASN A 71 -18.184 2.281 -18.845 1.00 51.44 N ATOM 1103 CA ASN A 71 -17.007 1.944 -18.053 1.00 71.11 C ATOM 1104 C ASN A 71 -16.284 0.736 -18.641 1.00 30.33 C ATOM 1105 O ASN A 71 -15.161 0.419 -18.248 1.00 3.00 O ATOM 1106 CB ASN A 71 -17.407 1.658 -16.604 1.00 43.11 C ATOM 1107 CG ASN A 71 -16.205 1.497 -15.694 1.00 24.31 C ATOM 1108 OD1 ASN A 71 -15.910 2.368 -14.876 1.00 0.41 O ATOM 1109 ND2 ASN A 71 -15.504 0.378 -15.833 1.00 25.53 N ATOM 0 H ASN A 71 -19.068 1.972 -18.440 1.00 51.44 H new ATOM 0 HA ASN A 71 -16.329 2.797 -18.074 1.00 71.11 H new ATOM 0 HB2 ASN A 71 -18.032 2.471 -16.235 1.00 43.11 H new ATOM 0 HB3 ASN A 71 -18.010 0.751 -16.569 1.00 43.11 H new ATOM 0 HD21 ASN A 71 -14.684 0.214 -15.248 1.00 25.53 H new ATOM 0 HD22 ASN A 71 -15.785 -0.317 -16.524 1.00 25.53 H new ATOM 1116 N CYS A 72 -16.936 0.065 -19.585 1.00 25.34 N ATOM 1117 CA CYS A 72 -16.356 -1.108 -20.228 1.00 32.53 C ATOM 1118 C CYS A 72 -15.964 -0.800 -21.670 1.00 25.13 C ATOM 1119 O CYS A 72 -16.437 0.172 -22.259 1.00 5.24 O ATOM 1120 CB CYS A 72 -17.346 -2.275 -20.195 1.00 51.33 C ATOM 1121 SG CYS A 72 -19.077 -1.774 -19.928 1.00 0.41 S ATOM 0 H CYS A 72 -17.866 0.314 -19.921 1.00 25.34 H new ATOM 0 HA CYS A 72 -15.457 -1.386 -19.677 1.00 32.53 H new ATOM 0 HB2 CYS A 72 -17.278 -2.822 -21.135 1.00 51.33 H new ATOM 0 HB3 CYS A 72 -17.052 -2.964 -19.404 1.00 51.33 H new ATOM 1126 N TYR A 73 -15.096 -1.635 -22.232 1.00 13.51 N ATOM 1127 CA TYR A 73 -14.638 -1.451 -23.604 1.00 12.42 C ATOM 1128 C TYR A 73 -14.152 -2.769 -24.197 1.00 62.31 C ATOM 1129 O TYR A 73 -13.759 -3.683 -23.472 1.00 21.32 O ATOM 1130 CB TYR A 73 -13.517 -0.411 -23.654 1.00 61.53 C ATOM 1131 CG TYR A 73 -13.673 0.698 -22.639 1.00 32.22 C ATOM 1132 CD1 TYR A 73 -13.414 0.475 -21.292 1.00 54.30 C ATOM 1133 CD2 TYR A 73 -14.079 1.969 -23.027 1.00 22.04 C ATOM 1134 CE1 TYR A 73 -13.557 1.486 -20.361 1.00 23.31 C ATOM 1135 CE2 TYR A 73 -14.222 2.986 -22.102 1.00 74.15 C ATOM 1136 CZ TYR A 73 -13.961 2.739 -20.771 1.00 4.11 C ATOM 1137 OH TYR A 73 -14.102 3.749 -19.847 1.00 32.34 O ATOM 0 H TYR A 73 -14.696 -2.445 -21.759 1.00 13.51 H new ATOM 0 HA TYR A 73 -15.480 -1.096 -24.197 1.00 12.42 H new ATOM 0 HB2 TYR A 73 -12.562 -0.910 -23.490 1.00 61.53 H new ATOM 0 HB3 TYR A 73 -13.481 0.024 -24.653 1.00 61.53 H new ATOM 0 HD1 TYR A 73 -13.096 -0.505 -20.967 1.00 54.30 H new ATOM 0 HD2 TYR A 73 -14.286 2.165 -24.069 1.00 22.04 H new ATOM 0 HE1 TYR A 73 -13.353 1.296 -19.318 1.00 23.31 H new ATOM 0 HE2 TYR A 73 -14.537 3.969 -22.420 1.00 74.15 H new ATOM 0 HH TYR A 73 -13.217 4.069 -19.574 1.00 32.34 H new ATOM 1147 N LYS A 74 -14.180 -2.860 -25.522 1.00 75.54 N ATOM 1148 CA LYS A 74 -13.741 -4.065 -26.217 1.00 34.13 C ATOM 1149 C LYS A 74 -12.498 -3.787 -27.055 1.00 23.20 C ATOM 1150 O LYS A 74 -12.389 -2.740 -27.693 1.00 70.22 O ATOM 1151 CB LYS A 74 -14.862 -4.601 -27.110 1.00 54.12 C ATOM 1152 CG LYS A 74 -15.854 -5.487 -26.377 1.00 22.45 C ATOM 1153 CD LYS A 74 -17.128 -5.683 -27.181 1.00 20.42 C ATOM 1154 CE LYS A 74 -18.330 -5.908 -26.276 1.00 5.45 C ATOM 1155 NZ LYS A 74 -19.613 -5.823 -27.026 1.00 41.21 N ATOM 0 H LYS A 74 -14.502 -2.113 -26.137 1.00 75.54 H new ATOM 0 HA LYS A 74 -13.492 -4.816 -25.467 1.00 34.13 H new ATOM 0 HB2 LYS A 74 -15.396 -3.760 -27.552 1.00 54.12 H new ATOM 0 HB3 LYS A 74 -14.422 -5.166 -27.932 1.00 54.12 H new ATOM 0 HG2 LYS A 74 -15.398 -6.456 -26.175 1.00 22.45 H new ATOM 0 HG3 LYS A 74 -16.097 -5.042 -25.412 1.00 22.45 H new ATOM 0 HD2 LYS A 74 -17.302 -4.808 -27.808 1.00 20.42 H new ATOM 0 HD3 LYS A 74 -17.010 -6.536 -27.849 1.00 20.42 H new ATOM 0 HE2 LYS A 74 -18.250 -6.887 -25.803 1.00 5.45 H new ATOM 0 HE3 LYS A 74 -18.327 -5.167 -25.477 1.00 5.45 H new ATOM 0 HZ1 LYS A 74 -20.407 -5.982 -26.374 1.00 41.21 H new ATOM 0 HZ2 LYS A 74 -19.702 -4.880 -27.457 1.00 41.21 H new ATOM 0 HZ3 LYS A 74 -19.628 -6.547 -27.772 1.00 41.21 H new ATOM 1169 N SER A 75 -11.563 -4.732 -27.050 1.00 3.13 N ATOM 1170 CA SER A 75 -10.326 -4.587 -27.808 1.00 24.30 C ATOM 1171 C SER A 75 -10.617 -4.410 -29.295 1.00 15.31 C ATOM 1172 O SER A 75 -11.428 -5.135 -29.870 1.00 51.52 O ATOM 1173 CB SER A 75 -9.427 -5.807 -27.595 1.00 44.22 C ATOM 1174 OG SER A 75 -10.145 -7.011 -27.797 1.00 31.42 O ATOM 0 H SER A 75 -11.639 -5.606 -26.530 1.00 3.13 H new ATOM 0 HA SER A 75 -9.811 -3.697 -27.448 1.00 24.30 H new ATOM 0 HB2 SER A 75 -8.582 -5.764 -28.282 1.00 44.22 H new ATOM 0 HB3 SER A 75 -9.018 -5.789 -26.585 1.00 44.22 H new ATOM 0 HG SER A 75 -10.006 -7.324 -28.715 1.00 31.42 H new ATOM 1180 N ASN A 76 -9.950 -3.439 -29.911 1.00 20.33 N ATOM 1181 CA ASN A 76 -10.137 -3.165 -31.331 1.00 13.22 C ATOM 1182 C ASN A 76 -9.777 -4.385 -32.173 1.00 4.11 C ATOM 1183 O ASN A 76 -10.033 -4.419 -33.376 1.00 71.13 O ATOM 1184 CB ASN A 76 -9.286 -1.967 -31.757 1.00 24.33 C ATOM 1185 CG ASN A 76 -10.032 -1.028 -32.684 1.00 41.31 C ATOM 1186 OD1 ASN A 76 -9.808 -1.025 -33.895 1.00 3.44 O ATOM 1187 ND2 ASN A 76 -10.925 -0.224 -32.118 1.00 42.13 N ATOM 0 H ASN A 76 -9.275 -2.829 -29.449 1.00 20.33 H new ATOM 0 HA ASN A 76 -11.189 -2.931 -31.495 1.00 13.22 H new ATOM 0 HB2 ASN A 76 -8.965 -1.419 -30.871 1.00 24.33 H new ATOM 0 HB3 ASN A 76 -8.384 -2.324 -32.255 1.00 24.33 H new ATOM 0 HD21 ASN A 76 -11.458 0.430 -32.691 1.00 42.13 H new ATOM 0 HD22 ASN A 76 -11.078 -0.261 -31.110 1.00 42.13 H new ATOM 1194 N SER A 77 -9.181 -5.385 -31.531 1.00 43.22 N ATOM 1195 CA SER A 77 -8.782 -6.606 -32.221 1.00 44.12 C ATOM 1196 C SER A 77 -8.641 -7.764 -31.238 1.00 71.22 C ATOM 1197 O SER A 77 -8.819 -7.594 -30.032 1.00 60.31 O ATOM 1198 CB SER A 77 -7.462 -6.389 -32.964 1.00 25.15 C ATOM 1199 OG SER A 77 -7.661 -6.379 -34.366 1.00 71.14 O ATOM 0 H SER A 77 -8.964 -5.373 -30.534 1.00 43.22 H new ATOM 0 HA SER A 77 -9.560 -6.857 -32.942 1.00 44.12 H new ATOM 0 HB2 SER A 77 -7.016 -5.445 -32.650 1.00 25.15 H new ATOM 0 HB3 SER A 77 -6.758 -7.178 -32.699 1.00 25.15 H new ATOM 0 HG SER A 77 -6.803 -6.237 -34.817 1.00 71.14 H new ATOM 1205 N SER A 78 -8.321 -8.942 -31.764 1.00 23.34 N ATOM 1206 CA SER A 78 -8.160 -10.131 -30.934 1.00 42.22 C ATOM 1207 C SER A 78 -6.950 -9.992 -30.016 1.00 25.44 C ATOM 1208 O SER A 78 -6.104 -9.120 -30.212 1.00 70.24 O ATOM 1209 CB SER A 78 -8.008 -11.375 -31.812 1.00 54.41 C ATOM 1210 OG SER A 78 -6.965 -11.209 -32.756 1.00 44.51 O ATOM 0 H SER A 78 -8.168 -9.099 -32.760 1.00 23.34 H new ATOM 0 HA SER A 78 -9.052 -10.237 -30.317 1.00 42.22 H new ATOM 0 HB2 SER A 78 -7.801 -12.243 -31.186 1.00 54.41 H new ATOM 0 HB3 SER A 78 -8.945 -11.573 -32.332 1.00 54.41 H new ATOM 0 HG SER A 78 -6.887 -12.018 -33.303 1.00 44.51 H new ATOM 1216 N MET A 79 -6.874 -10.860 -29.011 1.00 55.25 N ATOM 1217 CA MET A 79 -5.767 -10.836 -28.062 1.00 55.34 C ATOM 1218 C MET A 79 -5.545 -12.215 -27.451 1.00 74.40 C ATOM 1219 O MET A 79 -6.500 -12.923 -27.127 1.00 41.30 O ATOM 1220 CB MET A 79 -6.037 -9.813 -26.957 1.00 53.33 C ATOM 1221 CG MET A 79 -5.442 -8.443 -27.239 1.00 53.51 C ATOM 1222 SD MET A 79 -6.579 -7.098 -26.850 1.00 74.32 S ATOM 1223 CE MET A 79 -5.432 -5.821 -26.341 1.00 42.20 C ATOM 0 H MET A 79 -7.566 -11.588 -28.833 1.00 55.25 H new ATOM 0 HA MET A 79 -4.865 -10.548 -28.601 1.00 55.34 H new ATOM 0 HB2 MET A 79 -7.114 -9.712 -26.822 1.00 53.33 H new ATOM 0 HB3 MET A 79 -5.632 -10.190 -26.018 1.00 53.33 H new ATOM 0 HG2 MET A 79 -4.529 -8.321 -26.657 1.00 53.51 H new ATOM 0 HG3 MET A 79 -5.160 -8.383 -28.290 1.00 53.51 H new ATOM 0 HE1 MET A 79 -5.975 -4.891 -26.171 1.00 42.20 H new ATOM 0 HE2 MET A 79 -4.935 -6.125 -25.420 1.00 42.20 H new ATOM 0 HE3 MET A 79 -4.687 -5.668 -27.122 1.00 42.20 H new ATOM 1233 N HIS A 80 -4.280 -12.593 -27.296 1.00 51.42 N ATOM 1234 CA HIS A 80 -3.933 -13.888 -26.723 1.00 73.32 C ATOM 1235 C HIS A 80 -4.481 -14.019 -25.305 1.00 63.42 C ATOM 1236 O HIS A 80 -4.344 -13.106 -24.490 1.00 73.33 O ATOM 1237 CB HIS A 80 -2.416 -14.077 -26.716 1.00 51.12 C ATOM 1238 CG HIS A 80 -1.767 -13.756 -28.027 1.00 65.31 C ATOM 1239 ND1 HIS A 80 -0.415 -13.515 -28.158 1.00 53.53 N ATOM 1240 CD2 HIS A 80 -2.290 -13.640 -29.270 1.00 35.13 C ATOM 1241 CE1 HIS A 80 -0.137 -13.262 -29.425 1.00 5.34 C ATOM 1242 NE2 HIS A 80 -1.257 -13.332 -30.120 1.00 72.21 N ATOM 0 H HIS A 80 -3.478 -12.020 -27.559 1.00 51.42 H new ATOM 0 HA HIS A 80 -4.385 -14.664 -27.341 1.00 73.32 H new ATOM 0 HB2 HIS A 80 -1.983 -13.445 -25.941 1.00 51.12 H new ATOM 0 HB3 HIS A 80 -2.188 -15.109 -26.450 1.00 51.12 H new ATOM 0 HD2 HIS A 80 -3.327 -13.766 -29.542 1.00 35.13 H new ATOM 0 HE1 HIS A 80 0.841 -13.036 -29.824 1.00 5.34 H new ATOM 0 HE2 HIS A 80 -1.341 -13.182 -31.125 1.00 72.21 H new ATOM 1250 N ILE A 81 -5.100 -15.159 -25.018 1.00 74.24 N ATOM 1251 CA ILE A 81 -5.668 -15.409 -23.699 1.00 43.31 C ATOM 1252 C ILE A 81 -5.848 -16.903 -23.452 1.00 11.42 C ATOM 1253 O ILE A 81 -5.909 -17.696 -24.391 1.00 62.44 O ATOM 1254 CB ILE A 81 -7.026 -14.704 -23.528 1.00 13.21 C ATOM 1255 CG1 ILE A 81 -8.095 -15.396 -24.376 1.00 33.54 C ATOM 1256 CG2 ILE A 81 -6.912 -13.235 -23.907 1.00 11.34 C ATOM 1257 CD1 ILE A 81 -7.979 -15.101 -25.855 1.00 1.05 C ATOM 0 H ILE A 81 -5.221 -15.924 -25.681 1.00 74.24 H new ATOM 0 HA ILE A 81 -4.965 -15.005 -22.971 1.00 43.31 H new ATOM 0 HB ILE A 81 -7.322 -14.767 -22.481 1.00 13.21 H new ATOM 0 HG12 ILE A 81 -8.028 -16.473 -24.222 1.00 33.54 H new ATOM 0 HG13 ILE A 81 -9.080 -15.085 -24.028 1.00 33.54 H new ATOM 0 HG21 ILE A 81 -7.880 -12.750 -23.781 1.00 11.34 H new ATOM 0 HG22 ILE A 81 -6.177 -12.750 -23.265 1.00 11.34 H new ATOM 0 HG23 ILE A 81 -6.597 -13.151 -24.947 1.00 11.34 H new ATOM 0 HD11 ILE A 81 -8.769 -15.625 -26.394 1.00 1.05 H new ATOM 0 HD12 ILE A 81 -8.077 -14.028 -26.021 1.00 1.05 H new ATOM 0 HD13 ILE A 81 -7.008 -15.437 -26.218 1.00 1.05 H new ATOM 1269 N THR A 82 -5.935 -17.280 -22.180 1.00 72.21 N ATOM 1270 CA THR A 82 -6.110 -18.679 -21.808 1.00 43.52 C ATOM 1271 C THR A 82 -7.385 -18.877 -20.997 1.00 52.24 C ATOM 1272 O THR A 82 -7.459 -18.486 -19.832 1.00 44.44 O ATOM 1273 CB THR A 82 -4.910 -19.197 -20.992 1.00 54.32 C ATOM 1274 OG1 THR A 82 -3.720 -19.151 -21.787 1.00 53.52 O ATOM 1275 CG2 THR A 82 -5.154 -20.621 -20.517 1.00 71.22 C ATOM 0 H THR A 82 -5.887 -16.636 -21.390 1.00 72.21 H new ATOM 0 HA THR A 82 -6.182 -19.246 -22.736 1.00 43.52 H new ATOM 0 HB THR A 82 -4.788 -18.555 -20.119 1.00 54.32 H new ATOM 0 HG1 THR A 82 -3.054 -18.584 -21.346 1.00 53.52 H new ATOM 0 HG21 THR A 82 -4.294 -20.966 -19.943 1.00 71.22 H new ATOM 0 HG22 THR A 82 -6.044 -20.647 -19.888 1.00 71.22 H new ATOM 0 HG23 THR A 82 -5.300 -21.272 -21.379 1.00 71.22 H new ATOM 1283 N ASP A 83 -8.388 -19.487 -21.620 1.00 65.01 N ATOM 1284 CA ASP A 83 -9.661 -19.739 -20.955 1.00 43.00 C ATOM 1285 C ASP A 83 -9.480 -20.694 -19.779 1.00 42.30 C ATOM 1286 O ASP A 83 -8.793 -21.709 -19.890 1.00 64.41 O ATOM 1287 CB ASP A 83 -10.673 -20.316 -21.946 1.00 25.41 C ATOM 1288 CG ASP A 83 -11.654 -19.274 -22.445 1.00 21.12 C ATOM 1289 OD1 ASP A 83 -12.576 -18.916 -21.684 1.00 14.05 O ATOM 1290 OD2 ASP A 83 -11.500 -18.817 -23.597 1.00 62.10 O ATOM 0 H ASP A 83 -8.344 -19.816 -22.584 1.00 65.01 H new ATOM 0 HA ASP A 83 -10.038 -18.790 -20.574 1.00 43.00 H new ATOM 0 HB2 ASP A 83 -10.141 -20.746 -22.795 1.00 25.41 H new ATOM 0 HB3 ASP A 83 -11.222 -21.128 -21.469 1.00 25.41 H new ATOM 1295 N CYS A 84 -10.100 -20.360 -18.652 1.00 72.52 N ATOM 1296 CA CYS A 84 -10.007 -21.186 -17.454 1.00 72.44 C ATOM 1297 C CYS A 84 -11.381 -21.378 -16.818 1.00 22.01 C ATOM 1298 O CYS A 84 -11.892 -20.487 -16.140 1.00 3.35 O ATOM 1299 CB CYS A 84 -9.049 -20.551 -16.445 1.00 31.23 C ATOM 1300 SG CYS A 84 -7.393 -20.194 -17.114 1.00 62.51 S ATOM 0 H CYS A 84 -10.672 -19.523 -18.543 1.00 72.52 H new ATOM 0 HA CYS A 84 -9.621 -22.163 -17.745 1.00 72.44 H new ATOM 0 HB2 CYS A 84 -9.488 -19.624 -16.077 1.00 31.23 H new ATOM 0 HB3 CYS A 84 -8.947 -21.217 -15.588 1.00 31.23 H new ATOM 1305 N ARG A 85 -11.973 -22.547 -17.041 1.00 45.25 N ATOM 1306 CA ARG A 85 -13.287 -22.856 -16.491 1.00 3.50 C ATOM 1307 C ARG A 85 -13.278 -24.211 -15.791 1.00 31.22 C ATOM 1308 O ARG A 85 -12.731 -25.186 -16.309 1.00 33.04 O ATOM 1309 CB ARG A 85 -14.342 -22.848 -17.599 1.00 23.42 C ATOM 1310 CG ARG A 85 -15.685 -23.412 -17.164 1.00 62.14 C ATOM 1311 CD ARG A 85 -16.527 -23.830 -18.360 1.00 45.20 C ATOM 1312 NE ARG A 85 -17.795 -24.430 -17.954 1.00 3.52 N ATOM 1313 CZ ARG A 85 -18.882 -23.724 -17.665 1.00 54.33 C ATOM 1314 NH1 ARG A 85 -18.857 -22.400 -17.738 1.00 65.14 N ATOM 1315 NH2 ARG A 85 -19.999 -24.342 -17.303 1.00 53.12 N ATOM 0 H ARG A 85 -11.563 -23.296 -17.599 1.00 45.25 H new ATOM 0 HA ARG A 85 -13.536 -22.089 -15.757 1.00 3.50 H new ATOM 0 HB2 ARG A 85 -14.483 -21.825 -17.948 1.00 23.42 H new ATOM 0 HB3 ARG A 85 -13.972 -23.426 -18.446 1.00 23.42 H new ATOM 0 HG2 ARG A 85 -15.526 -24.271 -16.511 1.00 62.14 H new ATOM 0 HG3 ARG A 85 -16.224 -22.664 -16.582 1.00 62.14 H new ATOM 0 HD2 ARG A 85 -16.722 -22.960 -18.988 1.00 45.20 H new ATOM 0 HD3 ARG A 85 -15.967 -24.542 -18.967 1.00 45.20 H new ATOM 0 HE ARG A 85 -17.849 -25.447 -17.889 1.00 3.52 H new ATOM 0 HH11 ARG A 85 -18.001 -21.921 -18.017 1.00 65.14 H new ATOM 0 HH12 ARG A 85 -19.694 -21.861 -17.515 1.00 65.14 H new ATOM 0 HH21 ARG A 85 -20.023 -25.360 -17.247 1.00 53.12 H new ATOM 0 HH22 ARG A 85 -20.833 -23.799 -17.081 1.00 53.12 H new ATOM 1329 N LEU A 86 -13.887 -24.266 -14.611 1.00 44.22 N ATOM 1330 CA LEU A 86 -13.949 -25.502 -13.839 1.00 0.10 C ATOM 1331 C LEU A 86 -14.487 -26.648 -14.689 1.00 62.50 C ATOM 1332 O LEU A 86 -15.372 -26.456 -15.524 1.00 3.23 O ATOM 1333 CB LEU A 86 -14.831 -25.311 -12.604 1.00 4.44 C ATOM 1334 CG LEU A 86 -14.095 -25.152 -11.272 1.00 74.33 C ATOM 1335 CD1 LEU A 86 -15.079 -25.177 -10.113 1.00 13.11 C ATOM 1336 CD2 LEU A 86 -13.048 -26.244 -11.108 1.00 42.25 C ATOM 0 H LEU A 86 -14.345 -23.469 -14.168 1.00 44.22 H new ATOM 0 HA LEU A 86 -12.937 -25.754 -13.520 1.00 0.10 H new ATOM 0 HB2 LEU A 86 -15.454 -24.430 -12.760 1.00 4.44 H new ATOM 0 HB3 LEU A 86 -15.502 -26.166 -12.526 1.00 4.44 H new ATOM 0 HG LEU A 86 -13.588 -24.187 -11.271 1.00 74.33 H new ATOM 0 HD11 LEU A 86 -14.538 -25.063 -9.174 1.00 13.11 H new ATOM 0 HD12 LEU A 86 -15.792 -24.360 -10.223 1.00 13.11 H new ATOM 0 HD13 LEU A 86 -15.614 -26.127 -10.110 1.00 13.11 H new ATOM 0 HD21 LEU A 86 -12.534 -26.115 -10.155 1.00 42.25 H new ATOM 0 HD22 LEU A 86 -13.533 -27.220 -11.130 1.00 42.25 H new ATOM 0 HD23 LEU A 86 -12.325 -26.180 -11.921 1.00 42.25 H new ATOM 1348 N THR A 87 -13.948 -27.844 -14.470 1.00 70.12 N ATOM 1349 CA THR A 87 -14.374 -29.022 -15.215 1.00 20.22 C ATOM 1350 C THR A 87 -15.381 -29.843 -14.417 1.00 3.24 C ATOM 1351 O THR A 87 -15.282 -29.945 -13.195 1.00 32.33 O ATOM 1352 CB THR A 87 -13.176 -29.918 -15.583 1.00 1.40 C ATOM 1353 OG1 THR A 87 -12.021 -29.523 -14.834 1.00 31.32 O ATOM 1354 CG2 THR A 87 -12.874 -29.833 -17.072 1.00 13.34 C ATOM 0 H THR A 87 -13.216 -28.022 -13.783 1.00 70.12 H new ATOM 0 HA THR A 87 -14.845 -28.663 -16.130 1.00 20.22 H new ATOM 0 HB THR A 87 -13.433 -30.949 -15.338 1.00 1.40 H new ATOM 0 HG1 THR A 87 -12.155 -29.739 -13.888 1.00 31.32 H new ATOM 0 HG21 THR A 87 -12.024 -30.474 -17.308 1.00 13.34 H new ATOM 0 HG22 THR A 87 -13.745 -30.161 -17.639 1.00 13.34 H new ATOM 0 HG23 THR A 87 -12.636 -28.803 -17.337 1.00 13.34 H new ATOM 1362 N ASN A 88 -16.349 -30.426 -15.116 1.00 23.30 N ATOM 1363 CA ASN A 88 -17.374 -31.239 -14.471 1.00 51.34 C ATOM 1364 C ASN A 88 -16.743 -32.303 -13.578 1.00 53.42 C ATOM 1365 O ASN A 88 -16.263 -33.328 -14.060 1.00 40.41 O ATOM 1366 CB ASN A 88 -18.264 -31.903 -15.524 1.00 13.32 C ATOM 1367 CG ASN A 88 -19.530 -31.112 -15.792 1.00 74.21 C ATOM 1368 OD1 ASN A 88 -20.634 -31.563 -15.484 1.00 42.20 O ATOM 1369 ND2 ASN A 88 -19.376 -29.926 -16.369 1.00 70.35 N ATOM 0 H ASN A 88 -16.445 -30.351 -16.129 1.00 23.30 H new ATOM 0 HA ASN A 88 -17.984 -30.584 -13.849 1.00 51.34 H new ATOM 0 HB2 ASN A 88 -17.704 -32.013 -16.453 1.00 13.32 H new ATOM 0 HB3 ASN A 88 -18.529 -32.907 -15.191 1.00 13.32 H new ATOM 0 HD21 ASN A 88 -20.192 -29.349 -16.574 1.00 70.35 H new ATOM 0 HD22 ASN A 88 -18.442 -29.592 -16.607 1.00 70.35 H new ATOM 1376 N GLY A 89 -16.749 -32.051 -12.273 1.00 32.15 N ATOM 1377 CA GLY A 89 -16.176 -32.996 -11.332 1.00 64.24 C ATOM 1378 C GLY A 89 -15.015 -32.408 -10.555 1.00 22.42 C ATOM 1379 O GLY A 89 -14.323 -33.120 -9.827 1.00 1.04 O ATOM 0 H GLY A 89 -17.140 -31.209 -11.850 1.00 32.15 H new ATOM 0 HA2 GLY A 89 -16.947 -33.323 -10.635 1.00 64.24 H new ATOM 0 HA3 GLY A 89 -15.838 -33.881 -11.871 1.00 64.24 H new ATOM 1383 N SER A 90 -14.799 -31.106 -10.710 1.00 74.02 N ATOM 1384 CA SER A 90 -13.710 -30.424 -10.021 1.00 14.20 C ATOM 1385 C SER A 90 -14.253 -29.407 -9.021 1.00 42.34 C ATOM 1386 O SER A 90 -14.783 -28.364 -9.406 1.00 31.22 O ATOM 1387 CB SER A 90 -12.797 -29.726 -11.031 1.00 31.22 C ATOM 1388 OG SER A 90 -12.426 -30.607 -12.077 1.00 31.54 O ATOM 0 H SER A 90 -15.364 -30.502 -11.307 1.00 74.02 H new ATOM 0 HA SER A 90 -13.133 -31.171 -9.476 1.00 14.20 H new ATOM 0 HB2 SER A 90 -13.307 -28.857 -11.447 1.00 31.22 H new ATOM 0 HB3 SER A 90 -11.903 -29.360 -10.526 1.00 31.22 H new ATOM 0 HG SER A 90 -12.107 -31.451 -11.696 1.00 31.54 H new ATOM 1394 N ARG A 91 -14.116 -29.718 -7.737 1.00 21.23 N ATOM 1395 CA ARG A 91 -14.593 -28.833 -6.681 1.00 22.01 C ATOM 1396 C ARG A 91 -13.568 -28.729 -5.555 1.00 13.50 C ATOM 1397 O ARG A 91 -12.675 -29.568 -5.434 1.00 55.35 O ATOM 1398 CB ARG A 91 -15.926 -29.338 -6.126 1.00 52.14 C ATOM 1399 CG ARG A 91 -17.090 -28.396 -6.387 1.00 10.43 C ATOM 1400 CD ARG A 91 -16.855 -27.032 -5.756 1.00 64.02 C ATOM 1401 NE ARG A 91 -17.958 -26.111 -6.016 1.00 43.01 N ATOM 1402 CZ ARG A 91 -18.031 -24.888 -5.502 1.00 63.13 C ATOM 1403 NH1 ARG A 91 -17.069 -24.442 -4.706 1.00 15.33 N ATOM 1404 NH2 ARG A 91 -19.067 -24.109 -5.786 1.00 3.14 N ATOM 0 H ARG A 91 -13.678 -30.576 -7.402 1.00 21.23 H new ATOM 0 HA ARG A 91 -14.738 -27.842 -7.110 1.00 22.01 H new ATOM 0 HB2 ARG A 91 -16.149 -30.309 -6.568 1.00 52.14 H new ATOM 0 HB3 ARG A 91 -15.828 -29.492 -5.051 1.00 52.14 H new ATOM 0 HG2 ARG A 91 -17.233 -28.281 -7.461 1.00 10.43 H new ATOM 0 HG3 ARG A 91 -18.007 -28.830 -5.988 1.00 10.43 H new ATOM 0 HD2 ARG A 91 -16.726 -27.148 -4.680 1.00 64.02 H new ATOM 0 HD3 ARG A 91 -15.929 -26.608 -6.144 1.00 64.02 H new ATOM 0 HE ARG A 91 -18.714 -26.424 -6.626 1.00 43.01 H new ATOM 0 HH11 ARG A 91 -16.271 -25.038 -4.487 1.00 15.33 H new ATOM 0 HH12 ARG A 91 -17.127 -23.503 -4.313 1.00 15.33 H new ATOM 0 HH21 ARG A 91 -19.808 -24.449 -6.399 1.00 3.14 H new ATOM 0 HH22 ARG A 91 -19.123 -23.170 -5.391 1.00 3.14 H new ATOM 1418 N TYR A 92 -13.703 -27.693 -4.734 1.00 34.33 N ATOM 1419 CA TYR A 92 -12.788 -27.477 -3.620 1.00 31.15 C ATOM 1420 C TYR A 92 -12.667 -28.733 -2.762 1.00 62.55 C ATOM 1421 O TYR A 92 -13.654 -29.396 -2.443 1.00 71.24 O ATOM 1422 CB TYR A 92 -13.265 -26.305 -2.761 1.00 3.53 C ATOM 1423 CG TYR A 92 -12.220 -25.801 -1.791 1.00 11.44 C ATOM 1424 CD1 TYR A 92 -11.777 -26.597 -0.741 1.00 50.33 C ATOM 1425 CD2 TYR A 92 -11.677 -24.529 -1.922 1.00 51.42 C ATOM 1426 CE1 TYR A 92 -10.823 -26.140 0.148 1.00 34.40 C ATOM 1427 CE2 TYR A 92 -10.722 -24.065 -1.039 1.00 11.34 C ATOM 1428 CZ TYR A 92 -10.299 -24.874 -0.005 1.00 64.11 C ATOM 1429 OH TYR A 92 -9.348 -24.415 0.878 1.00 35.02 O ATOM 0 H TYR A 92 -14.437 -26.990 -4.819 1.00 34.33 H new ATOM 0 HA TYR A 92 -11.806 -27.243 -4.031 1.00 31.15 H new ATOM 0 HB2 TYR A 92 -13.568 -25.486 -3.414 1.00 3.53 H new ATOM 0 HB3 TYR A 92 -14.150 -26.611 -2.203 1.00 3.53 H new ATOM 0 HD1 TYR A 92 -12.185 -27.589 -0.618 1.00 50.33 H new ATOM 0 HD2 TYR A 92 -12.008 -23.892 -2.729 1.00 51.42 H new ATOM 0 HE1 TYR A 92 -10.490 -26.771 0.958 1.00 34.40 H new ATOM 0 HE2 TYR A 92 -10.309 -23.074 -1.157 1.00 11.34 H new ATOM 0 HH TYR A 92 -9.082 -23.505 0.629 1.00 35.02 H new ATOM 1439 N PRO A 93 -11.426 -29.070 -2.379 1.00 51.45 N ATOM 1440 CA PRO A 93 -10.243 -28.289 -2.754 1.00 13.33 C ATOM 1441 C PRO A 93 -9.921 -28.401 -4.240 1.00 24.33 C ATOM 1442 O PRO A 93 -9.272 -27.526 -4.811 1.00 65.54 O ATOM 1443 CB PRO A 93 -9.126 -28.914 -1.915 1.00 3.31 C ATOM 1444 CG PRO A 93 -9.583 -30.307 -1.652 1.00 14.33 C ATOM 1445 CD PRO A 93 -11.082 -30.238 -1.552 1.00 73.22 C ATOM 0 HA PRO A 93 -10.384 -27.223 -2.575 1.00 13.33 H new ATOM 0 HB2 PRO A 93 -8.176 -28.903 -2.450 1.00 3.31 H new ATOM 0 HB3 PRO A 93 -8.975 -28.365 -0.986 1.00 3.31 H new ATOM 0 HG2 PRO A 93 -9.276 -30.977 -2.455 1.00 14.33 H new ATOM 0 HG3 PRO A 93 -9.148 -30.693 -0.730 1.00 14.33 H new ATOM 0 HD2 PRO A 93 -11.552 -31.148 -1.926 1.00 73.22 H new ATOM 0 HD3 PRO A 93 -11.410 -30.111 -0.520 1.00 73.22 H new ATOM 1453 N ASN A 94 -10.379 -29.484 -4.860 1.00 23.03 N ATOM 1454 CA ASN A 94 -10.138 -29.711 -6.280 1.00 52.42 C ATOM 1455 C ASN A 94 -10.588 -28.510 -7.106 1.00 52.45 C ATOM 1456 O ASN A 94 -11.770 -28.164 -7.128 1.00 31.42 O ATOM 1457 CB ASN A 94 -10.871 -30.969 -6.748 1.00 72.43 C ATOM 1458 CG ASN A 94 -11.120 -31.948 -5.617 1.00 31.01 C ATOM 1459 OD1 ASN A 94 -12.178 -31.930 -4.987 1.00 3.10 O ATOM 1460 ND2 ASN A 94 -10.144 -32.809 -5.354 1.00 4.32 N ATOM 0 H ASN A 94 -10.919 -30.218 -4.401 1.00 23.03 H new ATOM 0 HA ASN A 94 -9.066 -29.848 -6.424 1.00 52.42 H new ATOM 0 HB2 ASN A 94 -11.824 -30.686 -7.196 1.00 72.43 H new ATOM 0 HB3 ASN A 94 -10.286 -31.459 -7.526 1.00 72.43 H new ATOM 0 HD21 ASN A 94 -10.254 -33.492 -4.604 1.00 4.32 H new ATOM 0 HD22 ASN A 94 -9.284 -32.788 -5.902 1.00 4.32 H new ATOM 1467 N CYS A 95 -9.638 -27.877 -7.786 1.00 51.25 N ATOM 1468 CA CYS A 95 -9.935 -26.715 -8.615 1.00 1.51 C ATOM 1469 C CYS A 95 -9.603 -26.991 -10.078 1.00 44.55 C ATOM 1470 O CYS A 95 -9.465 -26.066 -10.879 1.00 63.42 O ATOM 1471 CB CYS A 95 -9.149 -25.497 -8.123 1.00 33.41 C ATOM 1472 SG CYS A 95 -9.916 -24.638 -6.711 1.00 72.43 S ATOM 0 H CYS A 95 -8.655 -28.150 -7.779 1.00 51.25 H new ATOM 0 HA CYS A 95 -11.002 -26.507 -8.536 1.00 1.51 H new ATOM 0 HB2 CYS A 95 -8.146 -25.816 -7.839 1.00 33.41 H new ATOM 0 HB3 CYS A 95 -9.039 -24.792 -8.947 1.00 33.41 H new ATOM 1477 N ALA A 96 -9.476 -28.269 -10.420 1.00 3.32 N ATOM 1478 CA ALA A 96 -9.162 -28.667 -11.786 1.00 51.14 C ATOM 1479 C ALA A 96 -10.000 -27.884 -12.792 1.00 63.52 C ATOM 1480 O ALA A 96 -11.177 -28.181 -12.998 1.00 62.14 O ATOM 1481 CB ALA A 96 -9.381 -30.162 -11.964 1.00 32.11 C ATOM 0 H ALA A 96 -9.586 -29.047 -9.769 1.00 3.32 H new ATOM 0 HA ALA A 96 -8.112 -28.440 -11.972 1.00 51.14 H new ATOM 0 HB1 ALA A 96 -9.143 -30.445 -12.989 1.00 32.11 H new ATOM 0 HB2 ALA A 96 -8.735 -30.709 -11.277 1.00 32.11 H new ATOM 0 HB3 ALA A 96 -10.423 -30.405 -11.753 1.00 32.11 H new ATOM 1487 N TYR A 97 -9.386 -26.884 -13.415 1.00 32.32 N ATOM 1488 CA TYR A 97 -10.077 -26.057 -14.397 1.00 22.01 C ATOM 1489 C TYR A 97 -9.827 -26.569 -15.812 1.00 53.13 C ATOM 1490 O TYR A 97 -9.117 -27.554 -16.012 1.00 22.32 O ATOM 1491 CB TYR A 97 -9.620 -24.602 -14.281 1.00 4.01 C ATOM 1492 CG TYR A 97 -9.720 -24.046 -12.878 1.00 45.14 C ATOM 1493 CD1 TYR A 97 -10.927 -24.057 -12.190 1.00 25.40 C ATOM 1494 CD2 TYR A 97 -8.608 -23.508 -12.242 1.00 63.20 C ATOM 1495 CE1 TYR A 97 -11.023 -23.550 -10.909 1.00 1.23 C ATOM 1496 CE2 TYR A 97 -8.694 -23.000 -10.960 1.00 54.15 C ATOM 1497 CZ TYR A 97 -9.904 -23.023 -10.298 1.00 51.31 C ATOM 1498 OH TYR A 97 -9.995 -22.516 -9.022 1.00 1.00 O ATOM 0 H TYR A 97 -8.412 -26.627 -13.257 1.00 32.32 H new ATOM 0 HA TYR A 97 -11.146 -26.112 -14.193 1.00 22.01 H new ATOM 0 HB2 TYR A 97 -8.587 -24.526 -14.620 1.00 4.01 H new ATOM 0 HB3 TYR A 97 -10.221 -23.987 -14.950 1.00 4.01 H new ATOM 0 HD1 TYR A 97 -11.805 -24.469 -12.665 1.00 25.40 H new ATOM 0 HD2 TYR A 97 -7.660 -23.487 -12.759 1.00 63.20 H new ATOM 0 HE1 TYR A 97 -11.969 -23.566 -10.388 1.00 1.23 H new ATOM 0 HE2 TYR A 97 -7.819 -22.587 -10.479 1.00 54.15 H new ATOM 0 HH TYR A 97 -10.107 -23.252 -8.385 1.00 1.00 H new ATOM 1508 N ARG A 98 -10.417 -25.891 -16.792 1.00 22.41 N ATOM 1509 CA ARG A 98 -10.260 -26.277 -18.189 1.00 40.32 C ATOM 1510 C ARG A 98 -9.492 -25.210 -18.964 1.00 52.14 C ATOM 1511 O ARG A 98 -10.046 -24.173 -19.330 1.00 52.33 O ATOM 1512 CB ARG A 98 -11.628 -26.505 -18.834 1.00 73.21 C ATOM 1513 CG ARG A 98 -11.678 -27.724 -19.741 1.00 51.44 C ATOM 1514 CD ARG A 98 -11.255 -27.379 -21.161 1.00 15.31 C ATOM 1515 NE ARG A 98 -11.637 -28.418 -22.113 1.00 54.24 N ATOM 1516 CZ ARG A 98 -11.147 -28.502 -23.345 1.00 54.32 C ATOM 1517 NH1 ARG A 98 -10.260 -27.613 -23.771 1.00 75.13 N ATOM 1518 NH2 ARG A 98 -11.544 -29.476 -24.153 1.00 71.54 N ATOM 0 H ARG A 98 -11.007 -25.073 -16.644 1.00 22.41 H new ATOM 0 HA ARG A 98 -9.691 -27.206 -18.222 1.00 40.32 H new ATOM 0 HB2 ARG A 98 -12.376 -26.616 -18.049 1.00 73.21 H new ATOM 0 HB3 ARG A 98 -11.900 -25.621 -19.412 1.00 73.21 H new ATOM 0 HG2 ARG A 98 -11.025 -28.501 -19.344 1.00 51.44 H new ATOM 0 HG3 ARG A 98 -12.689 -28.131 -19.750 1.00 51.44 H new ATOM 0 HD2 ARG A 98 -11.710 -26.433 -21.455 1.00 15.31 H new ATOM 0 HD3 ARG A 98 -10.175 -27.237 -21.193 1.00 15.31 H new ATOM 0 HE ARG A 98 -12.317 -29.118 -21.816 1.00 54.24 H new ATOM 0 HH11 ARG A 98 -9.952 -26.863 -23.152 1.00 75.13 H new ATOM 0 HH12 ARG A 98 -9.885 -27.680 -24.717 1.00 75.13 H new ATOM 0 HH21 ARG A 98 -12.226 -30.161 -23.829 1.00 71.54 H new ATOM 0 HH22 ARG A 98 -11.167 -29.540 -25.099 1.00 71.54 H new ATOM 1532 N THR A 99 -8.212 -25.471 -19.212 1.00 33.35 N ATOM 1533 CA THR A 99 -7.368 -24.534 -19.941 1.00 62.12 C ATOM 1534 C THR A 99 -7.620 -24.621 -21.442 1.00 42.51 C ATOM 1535 O THR A 99 -7.299 -25.624 -22.078 1.00 71.32 O ATOM 1536 CB THR A 99 -5.874 -24.793 -19.667 1.00 53.12 C ATOM 1537 OG1 THR A 99 -5.669 -25.045 -18.273 1.00 5.23 O ATOM 1538 CG2 THR A 99 -5.030 -23.605 -20.103 1.00 13.40 C ATOM 0 H THR A 99 -7.738 -26.325 -18.918 1.00 33.35 H new ATOM 0 HA THR A 99 -7.627 -23.535 -19.589 1.00 62.12 H new ATOM 0 HB THR A 99 -5.567 -25.666 -20.243 1.00 53.12 H new ATOM 0 HG1 THR A 99 -5.020 -25.771 -18.164 1.00 5.23 H new ATOM 0 HG21 THR A 99 -3.979 -23.811 -19.900 1.00 13.40 H new ATOM 0 HG22 THR A 99 -5.166 -23.434 -21.171 1.00 13.40 H new ATOM 0 HG23 THR A 99 -5.339 -22.717 -19.551 1.00 13.40 H new ATOM 1546 N SER A 100 -8.196 -23.562 -22.003 1.00 4.22 N ATOM 1547 CA SER A 100 -8.493 -23.520 -23.430 1.00 14.34 C ATOM 1548 C SER A 100 -7.659 -22.450 -24.128 1.00 24.25 C ATOM 1549 O SER A 100 -7.965 -21.259 -24.081 1.00 52.32 O ATOM 1550 CB SER A 100 -9.982 -23.247 -23.654 1.00 32.44 C ATOM 1551 OG SER A 100 -10.559 -24.231 -24.495 1.00 54.52 O ATOM 0 H SER A 100 -8.466 -22.722 -21.491 1.00 4.22 H new ATOM 0 HA SER A 100 -8.239 -24.490 -23.857 1.00 14.34 H new ATOM 0 HB2 SER A 100 -10.501 -23.233 -22.696 1.00 32.44 H new ATOM 0 HB3 SER A 100 -10.111 -22.261 -24.100 1.00 32.44 H new ATOM 0 HG SER A 100 -11.511 -24.036 -24.622 1.00 54.52 H new ATOM 1557 N PRO A 101 -6.577 -22.885 -24.791 1.00 3.33 N ATOM 1558 CA PRO A 101 -5.675 -21.982 -25.512 1.00 2.31 C ATOM 1559 C PRO A 101 -6.323 -21.390 -26.759 1.00 44.21 C ATOM 1560 O PRO A 101 -6.797 -22.119 -27.630 1.00 54.34 O ATOM 1561 CB PRO A 101 -4.501 -22.886 -25.897 1.00 10.32 C ATOM 1562 CG PRO A 101 -5.079 -24.258 -25.942 1.00 23.12 C ATOM 1563 CD PRO A 101 -6.151 -24.291 -24.888 1.00 2.11 C ATOM 0 HA PRO A 101 -5.388 -21.123 -24.906 1.00 2.31 H new ATOM 0 HB2 PRO A 101 -4.082 -22.601 -26.862 1.00 10.32 H new ATOM 0 HB3 PRO A 101 -3.694 -22.820 -25.167 1.00 10.32 H new ATOM 0 HG2 PRO A 101 -5.493 -24.475 -26.927 1.00 23.12 H new ATOM 0 HG3 PRO A 101 -4.315 -25.010 -25.745 1.00 23.12 H new ATOM 0 HD2 PRO A 101 -6.977 -24.942 -25.175 1.00 2.11 H new ATOM 0 HD3 PRO A 101 -5.768 -24.662 -23.937 1.00 2.11 H new ATOM 1571 N LYS A 102 -6.338 -20.064 -26.839 1.00 54.32 N ATOM 1572 CA LYS A 102 -6.926 -19.373 -27.981 1.00 12.44 C ATOM 1573 C LYS A 102 -6.559 -17.892 -27.969 1.00 23.24 C ATOM 1574 O LYS A 102 -5.943 -17.405 -27.021 1.00 52.53 O ATOM 1575 CB LYS A 102 -8.448 -19.531 -27.971 1.00 33.25 C ATOM 1576 CG LYS A 102 -8.971 -20.457 -29.056 1.00 5.23 C ATOM 1577 CD LYS A 102 -10.301 -21.078 -28.666 1.00 32.23 C ATOM 1578 CE LYS A 102 -10.648 -22.259 -29.560 1.00 13.23 C ATOM 1579 NZ LYS A 102 -12.119 -22.474 -29.649 1.00 12.52 N ATOM 0 H LYS A 102 -5.950 -19.446 -26.127 1.00 54.32 H new ATOM 0 HA LYS A 102 -6.526 -19.822 -28.890 1.00 12.44 H new ATOM 0 HB2 LYS A 102 -8.759 -19.913 -26.998 1.00 33.25 H new ATOM 0 HB3 LYS A 102 -8.907 -18.550 -28.090 1.00 33.25 H new ATOM 0 HG2 LYS A 102 -9.087 -19.900 -29.986 1.00 5.23 H new ATOM 0 HG3 LYS A 102 -8.242 -21.245 -29.245 1.00 5.23 H new ATOM 0 HD2 LYS A 102 -10.260 -21.406 -27.627 1.00 32.23 H new ATOM 0 HD3 LYS A 102 -11.088 -20.327 -28.732 1.00 32.23 H new ATOM 0 HE2 LYS A 102 -10.245 -22.090 -30.558 1.00 13.23 H new ATOM 0 HE3 LYS A 102 -10.172 -23.160 -29.173 1.00 13.23 H new ATOM 0 HZ1 LYS A 102 -12.314 -23.287 -30.267 1.00 12.52 H new ATOM 0 HZ2 LYS A 102 -12.501 -22.661 -28.700 1.00 12.52 H new ATOM 0 HZ3 LYS A 102 -12.571 -21.624 -30.042 1.00 12.52 H new ATOM 1593 N GLU A 103 -6.942 -17.183 -29.026 1.00 64.30 N ATOM 1594 CA GLU A 103 -6.652 -15.758 -29.135 1.00 71.31 C ATOM 1595 C GLU A 103 -7.815 -15.015 -29.787 1.00 22.23 C ATOM 1596 O GLU A 103 -8.074 -15.171 -30.980 1.00 43.32 O ATOM 1597 CB GLU A 103 -5.373 -15.536 -29.944 1.00 44.31 C ATOM 1598 CG GLU A 103 -5.309 -16.357 -31.221 1.00 21.44 C ATOM 1599 CD GLU A 103 -4.138 -15.973 -32.104 1.00 24.52 C ATOM 1600 OE1 GLU A 103 -4.276 -15.014 -32.890 1.00 55.15 O ATOM 1601 OE2 GLU A 103 -3.082 -16.633 -32.007 1.00 64.34 O ATOM 0 H GLU A 103 -7.453 -17.572 -29.818 1.00 64.30 H new ATOM 0 HA GLU A 103 -6.510 -15.364 -28.129 1.00 71.31 H new ATOM 0 HB2 GLU A 103 -5.293 -14.479 -30.198 1.00 44.31 H new ATOM 0 HB3 GLU A 103 -4.512 -15.781 -29.321 1.00 44.31 H new ATOM 0 HG2 GLU A 103 -5.235 -17.414 -30.965 1.00 21.44 H new ATOM 0 HG3 GLU A 103 -6.237 -16.228 -31.778 1.00 21.44 H new ATOM 1608 N ARG A 104 -8.512 -14.208 -28.994 1.00 10.01 N ATOM 1609 CA ARG A 104 -9.648 -13.442 -29.492 1.00 40.03 C ATOM 1610 C ARG A 104 -9.838 -12.162 -28.683 1.00 20.52 C ATOM 1611 O ARG A 104 -9.232 -11.989 -27.625 1.00 42.41 O ATOM 1612 CB ARG A 104 -10.923 -14.286 -29.438 1.00 64.25 C ATOM 1613 CG ARG A 104 -11.660 -14.361 -30.766 1.00 22.25 C ATOM 1614 CD ARG A 104 -10.792 -14.979 -31.851 1.00 31.33 C ATOM 1615 NE ARG A 104 -11.551 -15.254 -33.068 1.00 43.31 N ATOM 1616 CZ ARG A 104 -12.255 -16.363 -33.261 1.00 31.34 C ATOM 1617 NH1 ARG A 104 -12.298 -17.297 -32.320 1.00 64.03 N ATOM 1618 NH2 ARG A 104 -12.919 -16.540 -34.396 1.00 33.44 N ATOM 0 H ARG A 104 -8.310 -14.068 -28.004 1.00 10.01 H new ATOM 0 HA ARG A 104 -9.444 -13.170 -30.528 1.00 40.03 H new ATOM 0 HB2 ARG A 104 -10.667 -15.296 -29.116 1.00 64.25 H new ATOM 0 HB3 ARG A 104 -11.592 -13.871 -28.684 1.00 64.25 H new ATOM 0 HG2 ARG A 104 -12.569 -14.950 -30.646 1.00 22.25 H new ATOM 0 HG3 ARG A 104 -11.967 -13.360 -31.070 1.00 22.25 H new ATOM 0 HD2 ARG A 104 -9.967 -14.306 -32.083 1.00 31.33 H new ATOM 0 HD3 ARG A 104 -10.353 -15.905 -31.480 1.00 31.33 H new ATOM 0 HE ARG A 104 -11.540 -14.555 -33.811 1.00 43.31 H new ATOM 0 HH11 ARG A 104 -11.790 -17.164 -31.446 1.00 64.03 H new ATOM 0 HH12 ARG A 104 -12.840 -18.148 -32.471 1.00 64.03 H new ATOM 0 HH21 ARG A 104 -12.889 -15.824 -35.121 1.00 33.44 H new ATOM 0 HH22 ARG A 104 -13.459 -17.392 -34.543 1.00 33.44 H new ATOM 1632 N HIS A 105 -10.683 -11.269 -29.187 1.00 71.14 N ATOM 1633 CA HIS A 105 -10.953 -10.005 -28.511 1.00 71.14 C ATOM 1634 C HIS A 105 -11.343 -10.240 -27.055 1.00 72.23 C ATOM 1635 O HIS A 105 -11.482 -11.382 -26.617 1.00 34.51 O ATOM 1636 CB HIS A 105 -12.066 -9.244 -29.233 1.00 45.11 C ATOM 1637 CG HIS A 105 -11.925 -9.248 -30.724 1.00 65.31 C ATOM 1638 ND1 HIS A 105 -11.527 -8.143 -31.446 1.00 0.42 N ATOM 1639 CD2 HIS A 105 -12.129 -10.233 -31.630 1.00 21.32 C ATOM 1640 CE1 HIS A 105 -11.495 -8.447 -32.731 1.00 3.30 C ATOM 1641 NE2 HIS A 105 -11.855 -9.710 -32.869 1.00 53.25 N ATOM 0 H HIS A 105 -11.193 -11.397 -30.061 1.00 71.14 H new ATOM 0 HA HIS A 105 -10.041 -9.408 -28.533 1.00 71.14 H new ATOM 0 HB2 HIS A 105 -13.027 -9.683 -28.966 1.00 45.11 H new ATOM 0 HB3 HIS A 105 -12.078 -8.213 -28.880 1.00 45.11 H new ATOM 0 HD2 HIS A 105 -12.448 -11.243 -31.417 1.00 21.32 H new ATOM 0 HE1 HIS A 105 -11.221 -7.777 -33.532 1.00 3.30 H new ATOM 0 HE2 HIS A 105 -11.919 -10.215 -33.753 1.00 53.25 H new ATOM 1649 N ILE A 106 -11.517 -9.153 -26.311 1.00 71.05 N ATOM 1650 CA ILE A 106 -11.891 -9.242 -24.906 1.00 12.25 C ATOM 1651 C ILE A 106 -12.522 -7.941 -24.421 1.00 42.43 C ATOM 1652 O ILE A 106 -12.306 -6.879 -25.006 1.00 44.15 O ATOM 1653 CB ILE A 106 -10.675 -9.571 -24.019 1.00 54.12 C ATOM 1654 CG1 ILE A 106 -9.380 -9.154 -24.718 1.00 4.23 C ATOM 1655 CG2 ILE A 106 -10.650 -11.055 -23.685 1.00 64.04 C ATOM 1656 CD1 ILE A 106 -8.215 -8.967 -23.770 1.00 74.31 C ATOM 0 H ILE A 106 -11.405 -8.201 -26.658 1.00 71.05 H new ATOM 0 HA ILE A 106 -12.619 -10.049 -24.824 1.00 12.25 H new ATOM 0 HB ILE A 106 -10.760 -9.011 -23.088 1.00 54.12 H new ATOM 0 HG12 ILE A 106 -9.117 -9.909 -25.459 1.00 4.23 H new ATOM 0 HG13 ILE A 106 -9.552 -8.223 -25.258 1.00 4.23 H new ATOM 0 HG21 ILE A 106 -9.785 -11.272 -23.058 1.00 64.04 H new ATOM 0 HG22 ILE A 106 -11.562 -11.323 -23.151 1.00 64.04 H new ATOM 0 HG23 ILE A 106 -10.585 -11.634 -24.606 1.00 64.04 H new ATOM 0 HD11 ILE A 106 -7.330 -8.672 -24.334 1.00 74.31 H new ATOM 0 HD12 ILE A 106 -8.458 -8.191 -23.044 1.00 74.31 H new ATOM 0 HD13 ILE A 106 -8.017 -9.903 -23.248 1.00 74.31 H new ATOM 1668 N ILE A 107 -13.301 -8.030 -23.349 1.00 24.45 N ATOM 1669 CA ILE A 107 -13.960 -6.860 -22.784 1.00 12.42 C ATOM 1670 C ILE A 107 -13.590 -6.675 -21.316 1.00 42.52 C ATOM 1671 O ILE A 107 -13.869 -7.535 -20.481 1.00 13.42 O ATOM 1672 CB ILE A 107 -15.492 -6.963 -22.906 1.00 40.30 C ATOM 1673 CG1 ILE A 107 -15.875 -7.685 -24.200 1.00 2.44 C ATOM 1674 CG2 ILE A 107 -16.121 -5.578 -22.859 1.00 74.43 C ATOM 1675 CD1 ILE A 107 -16.477 -9.053 -23.972 1.00 70.52 C ATOM 0 H ILE A 107 -13.491 -8.901 -22.854 1.00 24.45 H new ATOM 0 HA ILE A 107 -13.615 -5.998 -23.355 1.00 12.42 H new ATOM 0 HB ILE A 107 -15.871 -7.542 -22.064 1.00 40.30 H new ATOM 0 HG12 ILE A 107 -16.587 -7.071 -24.752 1.00 2.44 H new ATOM 0 HG13 ILE A 107 -14.989 -7.787 -24.826 1.00 2.44 H new ATOM 0 HG21 ILE A 107 -17.204 -5.667 -22.946 1.00 74.43 H new ATOM 0 HG22 ILE A 107 -15.872 -5.097 -21.913 1.00 74.43 H new ATOM 0 HG23 ILE A 107 -15.739 -4.977 -23.684 1.00 74.43 H new ATOM 0 HD11 ILE A 107 -16.724 -9.506 -24.932 1.00 70.52 H new ATOM 0 HD12 ILE A 107 -15.759 -9.683 -23.447 1.00 70.52 H new ATOM 0 HD13 ILE A 107 -17.382 -8.957 -23.372 1.00 70.52 H new ATOM 1687 N VAL A 108 -12.960 -5.545 -21.008 1.00 53.02 N ATOM 1688 CA VAL A 108 -12.554 -5.245 -19.641 1.00 1.44 C ATOM 1689 C VAL A 108 -13.083 -3.886 -19.196 1.00 40.30 C ATOM 1690 O VAL A 108 -13.476 -3.061 -20.021 1.00 33.34 O ATOM 1691 CB VAL A 108 -11.021 -5.259 -19.495 1.00 23.03 C ATOM 1692 CG1 VAL A 108 -10.537 -6.640 -19.079 1.00 43.11 C ATOM 1693 CG2 VAL A 108 -10.358 -4.821 -20.792 1.00 53.02 C ATOM 0 H VAL A 108 -12.720 -4.823 -21.687 1.00 53.02 H new ATOM 0 HA VAL A 108 -12.979 -6.023 -19.007 1.00 1.44 H new ATOM 0 HB VAL A 108 -10.741 -4.552 -18.714 1.00 23.03 H new ATOM 0 HG11 VAL A 108 -9.451 -6.631 -18.981 1.00 43.11 H new ATOM 0 HG12 VAL A 108 -10.986 -6.910 -18.123 1.00 43.11 H new ATOM 0 HG13 VAL A 108 -10.827 -7.370 -19.835 1.00 43.11 H new ATOM 0 HG21 VAL A 108 -9.275 -4.837 -20.670 1.00 53.02 H new ATOM 0 HG22 VAL A 108 -10.643 -5.502 -21.594 1.00 53.02 H new ATOM 0 HG23 VAL A 108 -10.680 -3.810 -21.042 1.00 53.02 H new ATOM 1703 N ALA A 109 -13.089 -3.659 -17.887 1.00 12.15 N ATOM 1704 CA ALA A 109 -13.568 -2.399 -17.332 1.00 4.32 C ATOM 1705 C ALA A 109 -12.417 -1.580 -16.756 1.00 21.30 C ATOM 1706 O ALA A 109 -11.934 -1.856 -15.657 1.00 54.11 O ATOM 1707 CB ALA A 109 -14.620 -2.658 -16.264 1.00 3.14 C ATOM 0 H ALA A 109 -12.767 -4.331 -17.191 1.00 12.15 H new ATOM 0 HA ALA A 109 -14.021 -1.824 -18.140 1.00 4.32 H new ATOM 0 HB1 ALA A 109 -14.968 -1.708 -15.859 1.00 3.14 H new ATOM 0 HB2 ALA A 109 -15.460 -3.195 -16.704 1.00 3.14 H new ATOM 0 HB3 ALA A 109 -14.186 -3.257 -15.463 1.00 3.14 H new ATOM 1713 N CYS A 110 -11.981 -0.573 -17.505 1.00 24.10 N ATOM 1714 CA CYS A 110 -10.886 0.285 -17.070 1.00 45.41 C ATOM 1715 C CYS A 110 -11.418 1.555 -16.413 1.00 11.43 C ATOM 1716 O CYS A 110 -12.521 2.007 -16.717 1.00 54.20 O ATOM 1717 CB CYS A 110 -9.992 0.649 -18.258 1.00 31.13 C ATOM 1718 SG CYS A 110 -10.838 0.589 -19.870 1.00 62.21 S ATOM 0 H CYS A 110 -12.370 -0.331 -18.417 1.00 24.10 H new ATOM 0 HA CYS A 110 -10.297 -0.264 -16.335 1.00 45.41 H new ATOM 0 HB2 CYS A 110 -9.594 1.652 -18.106 1.00 31.13 H new ATOM 0 HB3 CYS A 110 -9.141 -0.032 -18.281 1.00 31.13 H new ATOM 1723 N GLU A 111 -10.625 2.125 -15.510 1.00 54.35 N ATOM 1724 CA GLU A 111 -11.018 3.343 -14.810 1.00 62.31 C ATOM 1725 C GLU A 111 -9.829 3.954 -14.073 1.00 74.52 C ATOM 1726 O GLU A 111 -8.728 3.405 -14.087 1.00 12.24 O ATOM 1727 CB GLU A 111 -12.148 3.047 -13.822 1.00 2.14 C ATOM 1728 CG GLU A 111 -13.226 4.117 -13.792 1.00 51.22 C ATOM 1729 CD GLU A 111 -13.268 4.867 -12.475 1.00 41.30 C ATOM 1730 OE1 GLU A 111 -13.545 4.229 -11.438 1.00 70.20 O ATOM 1731 OE2 GLU A 111 -13.024 6.092 -12.481 1.00 21.21 O ATOM 0 H GLU A 111 -9.708 1.763 -15.247 1.00 54.35 H new ATOM 0 HA GLU A 111 -11.372 4.060 -15.551 1.00 62.31 H new ATOM 0 HB2 GLU A 111 -12.604 2.091 -14.080 1.00 2.14 H new ATOM 0 HB3 GLU A 111 -11.727 2.940 -12.823 1.00 2.14 H new ATOM 0 HG2 GLU A 111 -13.053 4.824 -14.603 1.00 51.22 H new ATOM 0 HG3 GLU A 111 -14.196 3.655 -13.974 1.00 51.22 H new ATOM 1738 N GLY A 112 -10.062 5.094 -13.431 1.00 4.24 N ATOM 1739 CA GLY A 112 -9.002 5.762 -12.698 1.00 22.24 C ATOM 1740 C GLY A 112 -8.126 6.615 -13.593 1.00 51.43 C ATOM 1741 O GLY A 112 -8.603 7.194 -14.570 1.00 3.13 O ATOM 0 H GLY A 112 -10.965 5.567 -13.405 1.00 4.24 H new ATOM 0 HA2 GLY A 112 -9.441 6.388 -11.921 1.00 22.24 H new ATOM 0 HA3 GLY A 112 -8.386 5.016 -12.196 1.00 22.24 H new ATOM 1745 N SER A 113 -6.842 6.696 -13.260 1.00 61.11 N ATOM 1746 CA SER A 113 -5.898 7.490 -14.039 1.00 34.25 C ATOM 1747 C SER A 113 -4.469 7.005 -13.818 1.00 62.10 C ATOM 1748 O SER A 113 -3.974 6.943 -12.693 1.00 5.55 O ATOM 1749 CB SER A 113 -6.011 8.968 -13.662 1.00 53.41 C ATOM 1750 OG SER A 113 -5.938 9.794 -14.811 1.00 41.23 O ATOM 0 H SER A 113 -6.431 6.222 -12.456 1.00 61.11 H new ATOM 0 HA SER A 113 -6.144 7.371 -15.094 1.00 34.25 H new ATOM 0 HB2 SER A 113 -6.954 9.143 -13.143 1.00 53.41 H new ATOM 0 HB3 SER A 113 -5.212 9.232 -12.969 1.00 53.41 H new ATOM 0 HG SER A 113 -6.014 10.734 -14.544 1.00 41.23 H new ATOM 1756 N PRO A 114 -3.788 6.652 -14.919 1.00 34.54 N ATOM 1757 CA PRO A 114 -4.368 6.720 -16.263 1.00 61.44 C ATOM 1758 C PRO A 114 -5.455 5.672 -16.480 1.00 43.20 C ATOM 1759 O PRO A 114 -5.625 4.763 -15.668 1.00 24.33 O ATOM 1760 CB PRO A 114 -3.172 6.447 -17.179 1.00 70.32 C ATOM 1761 CG PRO A 114 -2.226 5.657 -16.342 1.00 33.21 C ATOM 1762 CD PRO A 114 -2.401 6.158 -14.935 1.00 32.21 C ATOM 0 HA PRO A 114 -4.856 7.677 -16.448 1.00 61.44 H new ATOM 0 HB2 PRO A 114 -3.473 5.892 -18.068 1.00 70.32 H new ATOM 0 HB3 PRO A 114 -2.716 7.376 -17.522 1.00 70.32 H new ATOM 0 HG2 PRO A 114 -2.444 4.591 -16.407 1.00 33.21 H new ATOM 0 HG3 PRO A 114 -1.199 5.793 -16.680 1.00 33.21 H new ATOM 0 HD2 PRO A 114 -2.249 5.364 -14.204 1.00 32.21 H new ATOM 0 HD3 PRO A 114 -1.690 6.949 -14.699 1.00 32.21 H new ATOM 1770 N TYR A 115 -6.188 5.806 -17.580 1.00 25.32 N ATOM 1771 CA TYR A 115 -7.260 4.871 -17.902 1.00 44.50 C ATOM 1772 C TYR A 115 -6.704 3.476 -18.169 1.00 71.20 C ATOM 1773 O TYR A 115 -6.171 3.202 -19.244 1.00 51.15 O ATOM 1774 CB TYR A 115 -8.043 5.362 -19.121 1.00 12.35 C ATOM 1775 CG TYR A 115 -9.517 5.563 -18.852 1.00 14.24 C ATOM 1776 CD1 TYR A 115 -9.962 6.024 -17.619 1.00 10.35 C ATOM 1777 CD2 TYR A 115 -10.466 5.291 -19.830 1.00 3.12 C ATOM 1778 CE1 TYR A 115 -11.308 6.209 -17.368 1.00 30.21 C ATOM 1779 CE2 TYR A 115 -11.814 5.474 -19.589 1.00 5.14 C ATOM 1780 CZ TYR A 115 -12.230 5.933 -18.356 1.00 63.22 C ATOM 1781 OH TYR A 115 -13.572 6.115 -18.111 1.00 64.05 O ATOM 0 H TYR A 115 -6.060 6.552 -18.263 1.00 25.32 H new ATOM 0 HA TYR A 115 -7.931 4.817 -17.045 1.00 44.50 H new ATOM 0 HB2 TYR A 115 -7.613 6.303 -19.464 1.00 12.35 H new ATOM 0 HB3 TYR A 115 -7.925 4.643 -19.932 1.00 12.35 H new ATOM 0 HD1 TYR A 115 -9.243 6.242 -16.843 1.00 10.35 H new ATOM 0 HD2 TYR A 115 -10.144 4.930 -20.796 1.00 3.12 H new ATOM 0 HE1 TYR A 115 -11.636 6.568 -16.404 1.00 30.21 H new ATOM 0 HE2 TYR A 115 -12.538 5.259 -20.361 1.00 5.14 H new ATOM 0 HH TYR A 115 -14.086 5.420 -18.573 1.00 64.05 H new ATOM 1791 N VAL A 116 -6.834 2.596 -17.181 1.00 65.44 N ATOM 1792 CA VAL A 116 -6.347 1.227 -17.308 1.00 43.12 C ATOM 1793 C VAL A 116 -7.392 0.226 -16.830 1.00 60.54 C ATOM 1794 O VAL A 116 -8.260 0.538 -16.015 1.00 23.44 O ATOM 1795 CB VAL A 116 -5.047 1.017 -16.508 1.00 52.35 C ATOM 1796 CG1 VAL A 116 -4.218 2.292 -16.493 1.00 1.33 C ATOM 1797 CG2 VAL A 116 -5.362 0.558 -15.093 1.00 3.54 C ATOM 0 H VAL A 116 -7.272 2.806 -16.284 1.00 65.44 H new ATOM 0 HA VAL A 116 -6.145 1.060 -18.366 1.00 43.12 H new ATOM 0 HB VAL A 116 -4.461 0.238 -16.996 1.00 52.35 H new ATOM 0 HG11 VAL A 116 -3.304 2.125 -15.924 1.00 1.33 H new ATOM 0 HG12 VAL A 116 -3.963 2.572 -17.515 1.00 1.33 H new ATOM 0 HG13 VAL A 116 -4.793 3.094 -16.030 1.00 1.33 H new ATOM 0 HG21 VAL A 116 -4.433 0.414 -14.542 1.00 3.54 H new ATOM 0 HG22 VAL A 116 -5.968 1.313 -14.592 1.00 3.54 H new ATOM 0 HG23 VAL A 116 -5.911 -0.383 -15.129 1.00 3.54 H new ATOM 1807 N PRO A 117 -7.309 -1.009 -17.349 1.00 12.30 N ATOM 1808 CA PRO A 117 -8.240 -2.083 -16.989 1.00 3.31 C ATOM 1809 C PRO A 117 -8.041 -2.565 -15.556 1.00 74.30 C ATOM 1810 O PRO A 117 -6.993 -3.112 -15.214 1.00 22.20 O ATOM 1811 CB PRO A 117 -7.896 -3.197 -17.981 1.00 14.13 C ATOM 1812 CG PRO A 117 -6.478 -2.944 -18.358 1.00 43.15 C ATOM 1813 CD PRO A 117 -6.301 -1.451 -18.326 1.00 65.04 C ATOM 0 HA PRO A 117 -9.279 -1.756 -17.037 1.00 3.31 H new ATOM 0 HB2 PRO A 117 -8.016 -4.181 -17.528 1.00 14.13 H new ATOM 0 HB3 PRO A 117 -8.549 -3.166 -18.853 1.00 14.13 H new ATOM 0 HG2 PRO A 117 -5.796 -3.433 -17.662 1.00 43.15 H new ATOM 0 HG3 PRO A 117 -6.261 -3.342 -19.349 1.00 43.15 H new ATOM 0 HD2 PRO A 117 -5.293 -1.172 -18.018 1.00 65.04 H new ATOM 0 HD3 PRO A 117 -6.469 -1.005 -19.306 1.00 65.04 H new ATOM 1821 N VAL A 118 -9.056 -2.360 -14.722 1.00 5.15 N ATOM 1822 CA VAL A 118 -8.993 -2.776 -13.325 1.00 50.35 C ATOM 1823 C VAL A 118 -9.933 -3.946 -13.058 1.00 1.10 C ATOM 1824 O VAL A 118 -10.179 -4.308 -11.907 1.00 14.21 O ATOM 1825 CB VAL A 118 -9.352 -1.616 -12.378 1.00 13.12 C ATOM 1826 CG1 VAL A 118 -8.367 -0.468 -12.541 1.00 32.45 C ATOM 1827 CG2 VAL A 118 -10.777 -1.146 -12.628 1.00 52.21 C ATOM 0 H VAL A 118 -9.931 -1.909 -14.989 1.00 5.15 H new ATOM 0 HA VAL A 118 -7.966 -3.087 -13.133 1.00 50.35 H new ATOM 0 HB VAL A 118 -9.287 -1.975 -11.351 1.00 13.12 H new ATOM 0 HG11 VAL A 118 -8.637 0.342 -11.864 1.00 32.45 H new ATOM 0 HG12 VAL A 118 -7.361 -0.816 -12.307 1.00 32.45 H new ATOM 0 HG13 VAL A 118 -8.396 -0.107 -13.569 1.00 32.45 H new ATOM 0 HG21 VAL A 118 -11.014 -0.326 -11.950 1.00 52.21 H new ATOM 0 HG22 VAL A 118 -10.872 -0.804 -13.659 1.00 52.21 H new ATOM 0 HG23 VAL A 118 -11.468 -1.971 -12.455 1.00 52.21 H new ATOM 1837 N HIS A 119 -10.455 -4.535 -14.129 1.00 33.01 N ATOM 1838 CA HIS A 119 -11.368 -5.666 -14.010 1.00 73.41 C ATOM 1839 C HIS A 119 -11.586 -6.333 -15.365 1.00 31.30 C ATOM 1840 O HIS A 119 -11.486 -5.689 -16.409 1.00 42.50 O ATOM 1841 CB HIS A 119 -12.708 -5.209 -13.432 1.00 60.33 C ATOM 1842 CG HIS A 119 -13.890 -5.890 -14.050 1.00 73.31 C ATOM 1843 ND1 HIS A 119 -14.806 -6.618 -13.320 1.00 12.11 N ATOM 1844 CD2 HIS A 119 -14.305 -5.950 -15.337 1.00 50.22 C ATOM 1845 CE1 HIS A 119 -15.732 -7.097 -14.131 1.00 51.13 C ATOM 1846 NE2 HIS A 119 -15.451 -6.705 -15.361 1.00 73.51 N ATOM 0 H HIS A 119 -10.262 -4.248 -15.088 1.00 33.01 H new ATOM 0 HA HIS A 119 -10.919 -6.394 -13.334 1.00 73.41 H new ATOM 0 HB2 HIS A 119 -12.713 -5.394 -12.358 1.00 60.33 H new ATOM 0 HB3 HIS A 119 -12.806 -4.132 -13.571 1.00 60.33 H new ATOM 0 HD2 HIS A 119 -13.824 -5.489 -16.187 1.00 50.22 H new ATOM 0 HE1 HIS A 119 -16.575 -7.705 -13.839 1.00 51.13 H new ATOM 0 HE2 HIS A 119 -15.997 -6.927 -16.193 1.00 73.51 H new ATOM 1854 N PHE A 120 -11.884 -7.628 -15.341 1.00 22.24 N ATOM 1855 CA PHE A 120 -12.114 -8.383 -16.567 1.00 0.10 C ATOM 1856 C PHE A 120 -13.576 -8.806 -16.679 1.00 23.22 C ATOM 1857 O PHE A 120 -14.180 -9.253 -15.704 1.00 31.02 O ATOM 1858 CB PHE A 120 -11.209 -9.616 -16.609 1.00 74.33 C ATOM 1859 CG PHE A 120 -10.747 -9.973 -17.993 1.00 23.11 C ATOM 1860 CD1 PHE A 120 -11.603 -10.600 -18.884 1.00 1.11 C ATOM 1861 CD2 PHE A 120 -9.456 -9.681 -18.403 1.00 22.21 C ATOM 1862 CE1 PHE A 120 -11.179 -10.930 -20.157 1.00 73.04 C ATOM 1863 CE2 PHE A 120 -9.027 -10.009 -19.675 1.00 44.43 C ATOM 1864 CZ PHE A 120 -9.890 -10.633 -20.554 1.00 50.10 C ATOM 0 H PHE A 120 -11.972 -8.176 -14.486 1.00 22.24 H new ATOM 0 HA PHE A 120 -11.876 -7.737 -17.412 1.00 0.10 H new ATOM 0 HB2 PHE A 120 -10.338 -9.439 -15.978 1.00 74.33 H new ATOM 0 HB3 PHE A 120 -11.744 -10.465 -16.183 1.00 74.33 H new ATOM 0 HD1 PHE A 120 -12.613 -10.833 -18.580 1.00 1.11 H new ATOM 0 HD2 PHE A 120 -8.777 -9.191 -17.720 1.00 22.21 H new ATOM 0 HE1 PHE A 120 -11.856 -11.420 -20.841 1.00 73.04 H new ATOM 0 HE2 PHE A 120 -8.018 -9.777 -19.981 1.00 44.43 H new ATOM 0 HZ PHE A 120 -9.558 -10.888 -21.549 1.00 50.10 H new ATOM 1874 N ASP A 121 -14.137 -8.662 -17.874 1.00 13.30 N ATOM 1875 CA ASP A 121 -15.528 -9.029 -18.115 1.00 22.11 C ATOM 1876 C ASP A 121 -15.622 -10.416 -18.743 1.00 34.34 C ATOM 1877 O ASP A 121 -15.980 -11.387 -18.076 1.00 4.12 O ATOM 1878 CB ASP A 121 -16.200 -7.998 -19.023 1.00 31.02 C ATOM 1879 CG ASP A 121 -17.531 -7.524 -18.474 1.00 12.44 C ATOM 1880 OD1 ASP A 121 -18.481 -8.333 -18.440 1.00 30.43 O ATOM 1881 OD2 ASP A 121 -17.623 -6.342 -18.078 1.00 74.35 O ATOM 0 H ASP A 121 -13.650 -8.294 -18.691 1.00 13.30 H new ATOM 0 HA ASP A 121 -16.045 -9.048 -17.156 1.00 22.11 H new ATOM 0 HB2 ASP A 121 -15.537 -7.142 -19.149 1.00 31.02 H new ATOM 0 HB3 ASP A 121 -16.352 -8.432 -20.011 1.00 31.02 H new ATOM 1886 N ALA A 122 -15.301 -10.501 -20.029 1.00 61.13 N ATOM 1887 CA ALA A 122 -15.349 -11.769 -20.747 1.00 22.14 C ATOM 1888 C ALA A 122 -14.743 -11.635 -22.140 1.00 12.03 C ATOM 1889 O ALA A 122 -14.694 -10.542 -22.703 1.00 11.51 O ATOM 1890 CB ALA A 122 -16.783 -12.270 -20.838 1.00 44.23 C ATOM 0 H ALA A 122 -15.005 -9.707 -20.596 1.00 61.13 H new ATOM 0 HA ALA A 122 -14.757 -12.496 -20.191 1.00 22.14 H new ATOM 0 HB1 ALA A 122 -16.804 -13.217 -21.377 1.00 44.23 H new ATOM 0 HB2 ALA A 122 -17.182 -12.414 -19.834 1.00 44.23 H new ATOM 0 HB3 ALA A 122 -17.391 -11.538 -21.369 1.00 44.23 H new ATOM 1896 N SER A 123 -14.282 -12.754 -22.690 1.00 15.21 N ATOM 1897 CA SER A 123 -13.676 -12.760 -24.016 1.00 4.11 C ATOM 1898 C SER A 123 -14.745 -12.809 -25.103 1.00 13.33 C ATOM 1899 O SER A 123 -15.822 -13.373 -24.906 1.00 4.23 O ATOM 1900 CB SER A 123 -12.730 -13.954 -24.161 1.00 43.55 C ATOM 1901 OG SER A 123 -13.407 -15.174 -23.915 1.00 42.22 O ATOM 0 H SER A 123 -14.317 -13.668 -22.238 1.00 15.21 H new ATOM 0 HA SER A 123 -13.107 -11.837 -24.133 1.00 4.11 H new ATOM 0 HB2 SER A 123 -12.306 -13.966 -25.165 1.00 43.55 H new ATOM 0 HB3 SER A 123 -11.898 -13.849 -23.465 1.00 43.55 H new ATOM 0 HG SER A 123 -12.781 -15.921 -24.016 1.00 42.22 H new ATOM 1907 N VAL A 124 -14.441 -12.213 -26.251 1.00 44.32 N ATOM 1908 CA VAL A 124 -15.374 -12.188 -27.371 1.00 32.21 C ATOM 1909 C VAL A 124 -15.034 -13.266 -28.394 1.00 3.00 C ATOM 1910 O VAL A 124 -14.045 -13.984 -28.247 1.00 52.14 O ATOM 1911 CB VAL A 124 -15.377 -10.815 -28.069 1.00 60.43 C ATOM 1912 CG1 VAL A 124 -16.724 -10.552 -28.725 1.00 31.50 C ATOM 1913 CG2 VAL A 124 -15.033 -9.713 -27.079 1.00 23.53 C ATOM 0 H VAL A 124 -13.555 -11.740 -26.430 1.00 44.32 H new ATOM 0 HA VAL A 124 -16.365 -12.380 -26.961 1.00 32.21 H new ATOM 0 HB VAL A 124 -14.615 -10.822 -28.849 1.00 60.43 H new ATOM 0 HG11 VAL A 124 -16.707 -9.577 -29.213 1.00 31.50 H new ATOM 0 HG12 VAL A 124 -16.925 -11.326 -29.466 1.00 31.50 H new ATOM 0 HG13 VAL A 124 -17.507 -10.564 -27.966 1.00 31.50 H new ATOM 0 HG21 VAL A 124 -15.040 -8.750 -27.590 1.00 23.53 H new ATOM 0 HG22 VAL A 124 -15.769 -9.703 -26.275 1.00 23.53 H new ATOM 0 HG23 VAL A 124 -14.043 -9.895 -26.661 1.00 23.53 H new ATOM 1923 N GLU A 125 -15.859 -13.373 -29.430 1.00 54.54 N ATOM 1924 CA GLU A 125 -15.645 -14.364 -30.478 1.00 51.32 C ATOM 1925 C GLU A 125 -15.415 -13.688 -31.827 1.00 65.30 C ATOM 1926 O GLU A 125 -14.705 -14.215 -32.684 1.00 22.31 O ATOM 1927 CB GLU A 125 -16.843 -15.311 -30.568 1.00 14.21 C ATOM 1928 CG GLU A 125 -16.591 -16.673 -29.944 1.00 1.24 C ATOM 1929 CD GLU A 125 -17.832 -17.258 -29.299 1.00 32.24 C ATOM 1930 OE1 GLU A 125 -18.619 -17.914 -30.012 1.00 71.23 O ATOM 1931 OE2 GLU A 125 -18.016 -17.060 -28.079 1.00 50.13 O ATOM 0 H GLU A 125 -16.682 -12.786 -29.566 1.00 54.54 H new ATOM 0 HA GLU A 125 -14.755 -14.939 -30.222 1.00 51.32 H new ATOM 0 HB2 GLU A 125 -17.699 -14.848 -30.076 1.00 14.21 H new ATOM 0 HB3 GLU A 125 -17.111 -15.445 -31.616 1.00 14.21 H new ATOM 0 HG2 GLU A 125 -16.227 -17.358 -30.710 1.00 1.24 H new ATOM 0 HG3 GLU A 125 -15.804 -16.585 -29.195 1.00 1.24 H new