USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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 26 ASN A: amide:sc= 0.296 K(o=-2.3,f=-14!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.34 K(o=-2.3,f=-12!) USER MOD Set 1.3: A 27 HIS A:FLIP no HD1:sc= -0.328 F(o=-3.9,f=-2.3) USER MOD Set 1.4: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.5: A 29 THR OG1B: rot 180:sc= -1.93 USER MOD Set 2.1: A 13 LYS NZ A:NH3+ 151:sc= -0.229 (180deg=-0.715) USER MOD Set 2.2: A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 13 LYS NZ B:NH3+ -153:sc= -0.536 (180deg=-1.46!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl -140:sc= 0 (180deg=-0.522) USER MOD Single : A 16 SER OG A: rot -77:sc= 1.66 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.305 X(o=-0.3,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 19 SER OG A: rot 62:sc= 0.00208 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.134 USER MOD Single : A 23 TYR OH A: rot -121:sc= 0.0785 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 27 HIS B: no HD1:sc= -2.1 X(o=-2.1,f=-2.6) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.555 K(o=0.55,f=-0.043) USER MOD Single : A 32 SER OG A: rot 15:sc= 1.06 USER MOD Single : A 32 SER OG B: rot 1:sc= -0.0284 USER MOD Single : A 33 GLN A: amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 33 GLN B: amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.122 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.276 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -15.223 -2.848 0.087 0.20 0.00 N ATOM 68 N BLEU A 7 -15.034 -3.146 -0.728 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.958 -1.750 1.010 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.551 -2.078 0.140 0.80 0.00 C ATOM 71 C ALEU A 7 -16.247 -1.017 1.368 0.20 0.00 C ATOM 72 C BLEU A 7 -15.710 -1.246 0.678 0.80 0.00 C ATOM 73 O ALEU A 7 -17.202 -0.975 0.595 0.20 0.00 O ATOM 74 O BLEU A 7 -16.773 -1.149 0.065 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.955 -0.772 0.395 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.573 -1.180 -0.619 0.80 0.00 C ATOM 77 CG ALEU A 7 -13.000 -1.356 -0.646 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.088 -1.501 -0.439 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.226 -0.248 -1.343 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.824 -2.975 -0.709 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.045 -2.348 0.003 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.239 -0.628 -1.353 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.535 -2.169 1.923 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.035 -2.536 0.984 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.510 0.044 -0.068 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.810 -1.235 -1.682 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.362 -0.337 1.200 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.742 -0.149 -0.308 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.590 -1.885 -1.394 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.812 -1.287 0.593 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.552 -0.684 -2.080 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.763 -3.185 -0.576 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.924 0.425 -1.842 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.404 -3.582 -0.013 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.647 0.310 -0.607 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.116 -3.216 -1.731 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.373 -2.754 -0.753 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.186 -0.870 -1.212 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.462 -1.842 0.773 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.517 -0.810 -2.391 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.615 -3.160 0.455 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.406 0.422 -1.111 0.80 0.00 H new ATOM 105 N APRO A 8 -16.273 -0.423 2.570 0.20 0.00 N ATOM 106 N BPRO A 8 -15.503 -0.628 1.850 0.80 0.00 N ATOM 107 CA APRO A 8 -17.438 0.323 3.058 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.517 0.209 2.495 0.80 0.00 C ATOM 109 C APRO A 8 -17.650 1.629 2.300 0.20 0.00 C ATOM 110 C BPRO A 8 -16.758 1.513 1.740 0.80 0.00 C ATOM 111 O APRO A 8 -16.841 2.025 1.461 0.20 0.00 O ATOM 112 O BPRO A 8 -15.960 1.928 0.902 0.80 0.00 O ATOM 113 CB APRO A 8 -17.089 0.606 4.522 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.919 0.494 3.874 0.80 0.00 C ATOM 115 CG APRO A 8 -15.601 0.583 4.568 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.447 0.362 3.684 0.80 0.00 C ATOM 117 CD APRO A 8 -15.171 -0.431 3.546 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.260 -0.701 2.637 0.80 0.00 C ATOM 0 HA APRO A 8 -18.364 -0.236 2.926 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.489 -0.284 2.530 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.480 1.572 4.843 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.185 1.492 4.222 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.517 -0.147 5.184 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.287 -0.212 4.619 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.188 1.566 4.340 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -14.008 1.307 3.364 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.245 0.310 5.562 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.956 0.082 4.616 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.223 -0.157 3.083 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.382 -0.508 2.020 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.036 -1.417 3.991 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.125 -1.686 3.084 0.80 0.00 H new ATOM 133 N APRO A 9 -18.765 2.314 2.599 0.20 0.00 N ATOM 134 N BPRO A 9 -17.885 2.172 2.044 0.80 0.00 N ATOM 135 CA APRO A 9 -19.107 3.585 1.955 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.257 3.439 1.406 0.80 0.00 C ATOM 137 C APRO A 9 -18.179 4.719 2.379 0.20 0.00 C ATOM 138 C BPRO A 9 -17.352 4.590 1.830 0.80 0.00 C ATOM 139 O APRO A 9 -18.464 5.445 3.330 0.20 0.00 O ATOM 140 O BPRO A 9 -16.923 4.663 2.981 0.80 0.00 O ATOM 141 CB APRO A 9 -20.534 3.854 2.440 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.688 3.677 1.896 0.80 0.00 C ATOM 143 CG APRO A 9 -20.640 3.120 3.733 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.774 2.937 3.185 0.80 0.00 C ATOM 145 CD APRO A 9 -19.773 1.900 3.588 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.883 1.736 3.034 0.80 0.00 C ATOM 0 HA APRO A 9 -19.012 3.531 0.870 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.165 3.390 0.321 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.712 4.921 2.575 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.887 4.740 2.035 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.271 3.497 1.720 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.419 3.307 1.177 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.304 3.741 4.563 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.448 3.562 4.016 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.673 2.842 3.941 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.801 2.637 3.395 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.314 1.618 4.536 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.417 1.461 3.980 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.345 1.039 3.242 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.439 0.865 2.687 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.067 4.864 1.666 0.20 0.00 N ATOM 162 N BGLY A 10 -17.063 5.487 0.893 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.114 5.912 1.983 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.209 6.623 1.188 0.80 0.00 C ATOM 165 C AGLY A 10 -14.679 5.469 1.786 0.20 0.00 C ATOM 166 C BGLY A 10 -14.758 6.366 0.838 0.80 0.00 C ATOM 167 O AGLY A 10 -13.778 5.922 2.494 0.20 0.00 O ATOM 168 O BGLY A 10 -14.024 7.289 0.488 0.80 0.00 O ATOM 0 H AGLY A 10 -16.809 4.275 0.875 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.406 5.447 -0.067 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.312 6.781 1.356 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.564 7.493 0.635 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.255 6.227 3.017 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.286 6.865 2.248 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.462 4.580 0.822 0.20 0.00 N ATOM 176 N BTRP A 11 -14.343 5.107 0.930 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.125 4.075 0.535 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.968 4.731 0.621 0.80 0.00 C ATOM 179 C ATRP A 11 -13.031 3.572 -0.902 0.20 0.00 C ATOM 180 C BTRP A 11 -12.817 4.391 -0.857 0.80 0.00 C ATOM 181 O ATRP A 11 -13.723 2.631 -1.286 0.20 0.00 O ATOM 182 O BTRP A 11 -13.736 3.856 -1.478 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.764 2.949 1.506 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.539 3.538 1.477 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.315 3.445 2.848 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.569 3.822 2.948 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.041 3.444 4.004 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.656 3.753 3.775 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.043 4.016 3.171 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.466 4.223 3.767 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.295 3.979 5.028 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.292 4.086 5.057 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.065 4.337 4.542 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.955 4.378 5.080 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.885 4.284 2.435 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.112 4.464 3.521 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.977 4.913 5.189 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.135 4.764 6.138 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.806 4.858 3.077 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.300 4.848 4.572 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.855 5.166 4.444 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.814 4.994 5.868 0.80 0.00 C ATOM 0 H ATRP A 11 -15.195 4.195 0.227 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.939 4.330 1.216 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.418 4.895 0.661 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.325 5.582 0.847 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.630 2.300 1.637 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.194 2.693 1.264 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.973 2.340 1.068 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.530 3.240 1.192 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.052 3.077 4.100 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.653 3.477 3.466 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.607 4.091 5.993 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.917 4.112 5.862 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.835 4.046 1.383 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.706 4.352 2.526 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.015 5.152 6.241 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.529 4.878 7.137 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.908 5.074 2.516 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.252 5.039 4.392 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -7.993 5.611 4.918 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.154 5.294 6.669 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.168 4.207 -1.690 0.20 0.00 N ATOM 224 N BGLU A 12 -11.651 4.704 -1.416 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.986 3.821 -3.085 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.381 4.431 -2.823 0.80 0.00 C ATOM 227 C AGLU A 12 -10.576 3.284 -3.321 0.20 0.00 C ATOM 228 C BGLU A 12 -10.015 3.773 -2.997 0.80 0.00 C ATOM 229 O AGLU A 12 -9.638 3.635 -2.605 0.20 0.00 O ATOM 230 O BGLU A 12 -9.067 4.085 -2.277 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.246 5.017 -4.004 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.444 5.725 -3.637 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.983 5.759 -4.413 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.309 5.620 -4.882 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.371 5.209 -5.685 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.131 4.298 -5.605 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.963 4.283 -6.277 0.20 0.00 O ATOM 238 OE1BGLU A 12 -11.049 4.085 -6.194 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.299 5.705 -6.090 0.20 0.00 O ATOM 240 OE2BGLU A 12 -13.071 3.478 -5.582 0.80 0.00 O ATOM 0 H AGLU A 12 -11.586 4.988 -1.388 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.880 5.146 -0.916 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.701 3.031 -3.314 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.145 3.744 -3.187 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.760 4.670 -4.901 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.829 6.524 -3.004 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.918 5.712 -3.500 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.433 6.009 -3.930 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.215 6.815 -4.553 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.356 5.740 -4.604 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.252 5.697 -3.606 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.064 6.437 -5.560 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.436 2.430 -4.329 0.20 0.00 N ATOM 254 N BLYS A 13 -9.924 2.861 -3.959 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.144 1.843 -4.662 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.675 2.158 -4.230 0.80 0.00 C ATOM 257 C ALYS A 13 -8.285 2.828 -5.445 0.20 0.00 C ATOM 258 C BLYS A 13 -7.845 2.906 -5.269 0.80 0.00 C ATOM 259 O ALYS A 13 -8.624 3.208 -6.566 0.20 0.00 O ATOM 260 O BLYS A 13 -8.305 3.149 -6.387 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.338 0.560 -5.473 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.961 0.737 -4.718 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.234 -0.463 -5.268 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.716 -0.027 -5.136 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.640 -1.833 -5.782 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.069 -1.343 -5.807 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.999 -2.947 -4.968 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.316 -2.441 -4.784 0.80 0.00 C ATOM 269 NZ ALYS A 13 -8.432 -2.909 -3.542 0.20 0.00 N ATOM 270 NZ BLYS A 13 -7.045 -3.061 -4.318 0.80 0.00 N ATOM 0 H ALYS A 13 -11.203 2.129 -4.930 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.700 2.591 -4.564 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.631 1.602 -3.731 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.106 2.109 -3.302 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.293 0.110 -5.202 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.466 0.185 -3.926 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.394 0.814 -6.531 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.649 0.784 -5.562 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.331 -0.133 -5.783 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.125 0.584 -5.819 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.990 -0.529 -4.208 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.095 -0.219 -4.261 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.725 -1.930 -5.743 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.958 -1.211 -6.423 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.349 -1.931 -6.828 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.260 -1.641 -6.474 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -8.261 -3.912 -5.402 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.853 -2.028 -3.930 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -6.914 -2.858 -5.021 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.955 -3.208 -5.222 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -8.410 -3.871 -3.147 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.227 -4.039 -4.014 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -7.789 -2.297 -3.000 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.354 -3.063 -5.095 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -9.400 -2.533 -3.483 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.665 -2.515 -3.519 0.80 0.00 H new ATOM 297 N AARG A 14 -7.168 3.236 -4.851 0.20 0.00 N ATOM 298 N BARG A 14 -6.622 3.265 -4.895 0.80 0.00 N ATOM 299 CA AARG A 14 -6.259 4.176 -5.494 0.20 0.00 C ATOM 300 CA BARG A 14 -5.728 3.984 -5.796 0.80 0.00 C ATOM 301 C AARG A 14 -4.907 3.524 -5.770 0.20 0.00 C ATOM 302 C BARG A 14 -4.374 3.286 -5.893 0.80 0.00 C ATOM 303 O AARG A 14 -4.536 2.544 -5.124 0.20 0.00 O ATOM 304 O BARG A 14 -4.075 2.382 -5.112 0.80 0.00 O ATOM 305 CB AARG A 14 -6.070 5.415 -4.619 0.20 0.00 C ATOM 306 CB BARG A 14 -5.537 5.424 -5.317 0.80 0.00 C ATOM 307 CG AARG A 14 -6.755 6.658 -5.164 0.20 0.00 C ATOM 308 CG BARG A 14 -6.841 6.189 -5.154 0.80 0.00 C ATOM 309 CD AARG A 14 -5.894 7.898 -4.977 0.20 0.00 C ATOM 310 CD BARG A 14 -7.020 7.226 -6.251 0.80 0.00 C ATOM 311 NE AARG A 14 -5.745 8.654 -6.216 0.20 0.00 N ATOM 312 NE BARG A 14 -5.909 8.173 -6.296 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.792 9.560 -6.414 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.855 9.203 -7.134 0.80 0.00 C ATOM 315 NH1AARG A 14 -3.910 9.819 -5.459 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.843 9.418 -7.991 0.80 0.00 N ATOM 317 NH2AARG A 14 -4.722 10.208 -7.570 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.810 10.021 -7.114 0.80 0.00 N ATOM 0 H AARG A 14 -6.871 2.930 -3.925 0.20 0.00 H new ATOM 0 H BARG A 14 -6.227 3.070 -3.975 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.700 4.475 -6.445 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.184 3.994 -6.786 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.456 5.206 -3.621 0.20 0.00 H new ATOM 0 HB2BARG A 14 -5.010 5.414 -4.363 0.80 0.00 H new ATOM 0 HB3AARG A 14 -5.004 5.615 -4.513 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.901 5.953 -6.027 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.971 6.520 -6.224 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.678 5.491 -5.172 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.711 6.798 -4.659 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.856 6.681 -4.181 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.340 8.537 -4.214 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.107 6.723 -7.214 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.910 7.604 -4.612 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.952 7.768 -6.089 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.408 8.478 -6.971 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.132 8.036 -5.649 0.80 0.00 H new ATOM 0 HH11AARG A 14 -3.961 9.323 -4.569 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.648 8.792 -8.009 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.180 10.514 -5.614 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.798 10.210 -8.633 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.399 10.011 -8.307 0.20 0.00 H new ATOM 0 HH21BARG A 14 -4.048 9.859 -6.455 0.80 0.00 H new ATOM 0 HH22AARG A 14 -3.991 10.903 -7.722 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.769 10.811 -7.757 0.80 0.00 H new ATOM 345 N AMET A 15 -4.177 4.074 -6.734 0.20 0.00 N ATOM 346 N BMET A 15 -3.561 3.710 -6.853 0.80 0.00 N ATOM 347 CA AMET A 15 -2.866 3.547 -7.094 0.20 0.00 C ATOM 348 CA BMET A 15 -2.241 3.126 -7.051 0.80 0.00 C ATOM 349 C AMET A 15 -1.766 4.552 -6.770 0.20 0.00 C ATOM 350 C BMET A 15 -1.179 4.213 -7.183 0.80 0.00 C ATOM 351 O AMET A 15 -2.042 5.663 -6.320 0.20 0.00 O ATOM 352 O BMET A 15 -1.351 5.173 -7.934 0.80 0.00 O ATOM 353 CB AMET A 15 -2.826 3.192 -8.583 0.20 0.00 C ATOM 354 CB BMET A 15 -2.233 2.235 -8.294 0.80 0.00 C ATOM 355 CG AMET A 15 -1.992 1.960 -8.893 0.20 0.00 C ATOM 356 CG BMET A 15 -0.846 1.752 -8.688 0.80 0.00 C ATOM 357 SD AMET A 15 -0.612 2.316 -9.997 0.20 0.00 S ATOM 358 SD BMET A 15 -0.863 0.092 -9.389 0.80 0.00 S ATOM 359 CE AMET A 15 0.006 0.665 -10.311 0.20 0.00 C ATOM 360 CE BMET A 15 0.824 -0.045 -9.976 0.80 0.00 C ATOM 0 H AMET A 15 -4.471 4.884 -7.280 0.20 0.00 H new ATOM 0 H BMET A 15 -3.794 4.457 -7.507 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.693 2.645 -6.507 0.20 0.00 H new ATOM 0 HA BMET A 15 -2.007 2.518 -6.177 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.844 3.029 -8.937 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.872 1.371 -8.115 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.427 4.040 -9.139 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.667 2.786 -9.128 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.609 1.542 -7.962 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.417 2.444 -9.413 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.628 1.200 -9.346 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.198 1.766 -7.812 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.864 0.719 -10.981 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.833 -0.551 -10.941 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.308 0.205 -9.370 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.254 0.951 -10.084 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.778 0.065 -10.773 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.413 -0.618 -9.260 0.80 0.00 H new ATOM 379 N ASER A 16 -0.519 4.154 -7.002 0.20 0.00 N ATOM 380 N BSER A 16 -0.082 4.058 -6.448 0.80 0.00 N ATOM 381 CA ASER A 16 0.622 5.021 -6.730 0.20 0.00 C ATOM 382 CA BSER A 16 1.005 5.027 -6.481 0.80 0.00 C ATOM 383 C ASER A 16 1.225 5.547 -8.029 0.20 0.00 C ATOM 384 C BSER A 16 1.534 5.202 -7.902 0.80 0.00 C ATOM 385 O ASER A 16 0.861 5.105 -9.119 0.20 0.00 O ATOM 386 O BSER A 16 1.173 4.451 -8.807 0.80 0.00 O ATOM 387 CB ASER A 16 1.685 4.263 -5.931 0.20 0.00 C ATOM 388 CB BSER A 16 2.138 4.588 -5.552 0.80 0.00 C ATOM 389 OG ASER A 16 1.994 3.022 -6.542 0.20 0.00 O ATOM 390 OG BSER A 16 2.644 5.684 -4.810 0.80 0.00 O ATOM 0 H ASER A 16 -0.273 3.238 -7.377 0.20 0.00 H new ATOM 0 H BSER A 16 0.077 3.269 -5.822 0.80 0.00 H new ATOM 0 HA ASER A 16 0.272 5.870 -6.142 0.20 0.00 H new ATOM 0 HA BSER A 16 0.615 5.985 -6.137 0.80 0.00 H new ATOM 0 HB2ASER A 16 2.588 4.869 -5.855 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.775 3.819 -4.869 0.80 0.00 H new ATOM 0 HB3ASER A 16 1.328 4.093 -4.915 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.940 4.141 -6.139 0.80 0.00 H new ATOM 0 HG ASER A 16 1.282 2.377 -6.351 0.20 0.00 H new ATOM 0 HG BSER A 16 3.366 5.376 -4.223 0.80 0.00 H new ATOM 401 N AARG A 17 2.149 6.495 -7.903 0.20 0.00 N ATOM 402 N BARG A 17 2.392 6.199 -8.087 0.80 0.00 N ATOM 403 CA AARG A 17 2.802 7.084 -9.066 0.20 0.00 C ATOM 404 CA BARG A 17 2.973 6.473 -9.397 0.80 0.00 C ATOM 405 C AARG A 17 4.318 6.963 -8.956 0.20 0.00 C ATOM 406 C BARG A 17 4.492 6.331 -9.362 0.80 0.00 C ATOM 407 O AARG A 17 5.010 6.760 -9.954 0.20 0.00 O ATOM 408 O BARG A 17 5.122 6.041 -10.377 0.80 0.00 O ATOM 409 CB AARG A 17 2.405 8.555 -9.210 0.20 0.00 C ATOM 410 CB BARG A 17 2.593 7.881 -9.861 0.80 0.00 C ATOM 411 CG AARG A 17 3.177 9.290 -10.293 0.20 0.00 C ATOM 412 CG BARG A 17 3.340 8.335 -11.104 0.80 0.00 C ATOM 413 CD AARG A 17 2.830 10.770 -10.318 0.20 0.00 C ATOM 414 CD BARG A 17 2.958 9.754 -11.497 0.80 0.00 C ATOM 415 NE AARG A 17 1.386 10.993 -10.271 0.20 0.00 N ATOM 416 NE BARG A 17 1.511 9.950 -11.501 0.80 0.00 N ATOM 417 CZ AARG A 17 0.586 10.862 -11.323 0.20 0.00 C ATOM 418 CZ BARG A 17 0.931 11.143 -11.536 0.80 0.00 C ATOM 419 NH1AARG A 17 1.087 10.511 -12.500 0.20 0.00 N ATOM 420 NH1BARG A 17 1.671 12.243 -11.567 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.717 11.081 -11.200 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.392 11.241 -11.538 0.80 0.00 N ATOM 0 H AARG A 17 2.462 6.871 -7.008 0.20 0.00 H new ATOM 0 H BARG A 17 2.701 6.830 -7.348 0.80 0.00 H new ATOM 0 HA AARG A 17 2.475 6.539 -9.951 0.20 0.00 H new ATOM 0 HA BARG A 17 2.575 5.743 -10.102 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.339 8.615 -9.431 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.522 7.912 -10.060 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.562 9.060 -8.257 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.788 8.586 -9.053 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.247 9.169 -10.124 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.414 8.283 -10.924 0.80 0.00 H new ATOM 0 HG3AARG A 17 2.955 8.847 -11.264 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.122 7.657 -11.929 0.80 0.00 H new ATOM 0 HD2AARG A 17 3.302 11.268 -9.471 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.417 10.458 -10.803 0.80 0.00 H new ATOM 0 HD3AARG A 17 3.238 11.223 -11.221 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.357 9.976 -12.487 0.80 0.00 H new ATOM 0 HE AARG A 17 0.970 11.264 -9.380 0.20 0.00 H new ATOM 0 HE BARG A 17 0.913 9.124 -11.475 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.088 10.341 -12.598 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.689 12.173 -11.564 0.80 0.00 H new ATOM 0 HH12AARG A 17 0.471 10.411 -13.307 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.223 13.159 -11.594 0.80 0.00 H new ATOM 0 HH21AARG A 17 -1.106 11.350 -10.296 0.20 0.00 H new ATOM 0 HH21BARG A 17 -0.966 10.398 -11.513 0.80 0.00 H new ATOM 0 HH22AARG A 17 -1.330 10.980 -12.009 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.835 12.159 -11.565 0.80 0.00 H new ATOM 449 N AASN A 18 4.832 7.090 -7.735 0.20 0.00 N ATOM 450 N BASN A 18 5.073 6.538 -8.183 0.80 0.00 N ATOM 451 CA AASN A 18 6.267 6.995 -7.496 0.20 0.00 C ATOM 452 CA BASN A 18 6.517 6.433 -8.015 0.80 0.00 C ATOM 453 C AASN A 18 6.591 5.799 -6.605 0.20 0.00 C ATOM 454 C BASN A 18 6.946 4.974 -7.895 0.80 0.00 C ATOM 455 O AASN A 18 7.250 5.940 -5.575 0.20 0.00 O ATOM 456 O BASN A 18 7.849 4.522 -8.602 0.80 0.00 O ATOM 457 CB AASN A 18 6.781 8.282 -6.848 0.20 0.00 C ATOM 458 CB BASN A 18 6.964 7.210 -6.775 0.80 0.00 C ATOM 459 CG AASN A 18 8.202 8.611 -7.266 0.20 0.00 C ATOM 460 CG BASN A 18 8.469 7.398 -6.722 0.80 0.00 C ATOM 461 OD1AASN A 18 8.480 9.710 -7.746 0.20 0.00 O ATOM 462 OD1BASN A 18 9.129 6.945 -5.788 0.80 0.00 O ATOM 463 ND2AASN A 18 9.108 7.658 -7.082 0.20 0.00 N ATOM 464 ND2BASN A 18 9.016 8.068 -7.729 0.80 0.00 N ATOM 0 H AASN A 18 4.275 7.259 -6.897 0.20 0.00 H new ATOM 0 H BASN A 18 4.565 6.779 -7.332 0.80 0.00 H new ATOM 0 HA AASN A 18 6.763 6.855 -8.456 0.20 0.00 H new ATOM 0 HA BASN A 18 6.993 6.862 -8.897 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.125 9.109 -7.118 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.478 8.186 -6.766 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.738 8.182 -5.763 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.635 6.682 -5.880 0.80 0.00 H new ATOM 0 HD21AASN A 18 10.081 7.822 -7.342 0.20 0.00 H new ATOM 0 HD21BASN A 18 10.024 8.225 -7.749 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.831 6.762 -6.681 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.429 8.425 -8.482 0.80 0.00 H new ATOM 477 N ASER A 19 6.127 4.623 -7.011 0.20 0.00 N ATOM 478 N BSER A 19 6.293 4.242 -7.001 0.80 0.00 N ATOM 479 CA ASER A 19 6.366 3.402 -6.250 0.20 0.00 C ATOM 480 CA BSER A 19 6.609 2.834 -6.786 0.80 0.00 C ATOM 481 C ASER A 19 5.831 2.183 -6.995 0.20 0.00 C ATOM 482 C BSER A 19 5.567 1.937 -7.446 0.80 0.00 C ATOM 483 O ASER A 19 6.598 1.372 -7.511 0.20 0.00 O ATOM 484 O BSER A 19 5.878 1.177 -8.363 0.80 0.00 O ATOM 485 CB ASER A 19 5.709 3.499 -4.871 0.20 0.00 C ATOM 486 CB BSER A 19 6.686 2.528 -5.289 0.80 0.00 C ATOM 487 OG ASER A 19 6.679 3.459 -3.839 0.20 0.00 O ATOM 488 OG BSER A 19 5.464 2.841 -4.642 0.80 0.00 O ATOM 0 H ASER A 19 5.583 4.489 -7.863 0.20 0.00 H new ATOM 0 H BSER A 19 5.541 4.600 -6.412 0.80 0.00 H new ATOM 0 HA ASER A 19 7.443 3.286 -6.125 0.20 0.00 H new ATOM 0 HA BSER A 19 7.579 2.632 -7.241 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.138 4.425 -4.801 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.920 1.474 -5.141 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.003 2.678 -4.743 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.497 3.100 -4.839 0.80 0.00 H new ATOM 0 HG ASER A 19 7.278 4.230 -3.923 0.20 0.00 H new ATOM 0 HG BSER A 19 5.538 2.635 -3.687 0.80 0.00 H new ATOM 499 N AGLY A 20 4.507 2.061 -7.047 0.20 0.00 N ATOM 500 N BGLY A 20 4.328 2.031 -6.973 0.80 0.00 N ATOM 501 CA AGLY A 20 3.891 0.941 -7.731 0.20 0.00 C ATOM 502 CA BGLY A 20 3.258 1.225 -7.530 0.80 0.00 C ATOM 503 C AGLY A 20 2.862 0.232 -6.872 0.20 0.00 C ATOM 504 C BGLY A 20 2.545 0.402 -6.473 0.80 0.00 C ATOM 505 O AGLY A 20 1.867 -0.282 -7.383 0.20 0.00 O ATOM 506 O BGLY A 20 2.038 -0.683 -6.761 0.80 0.00 O ATOM 0 H AGLY A 20 3.851 2.719 -6.627 0.20 0.00 H new ATOM 0 H BGLY A 20 4.046 2.651 -6.214 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.415 1.295 -8.645 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.538 1.875 -8.028 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.663 0.231 -8.028 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.666 0.560 -8.291 0.80 0.00 H new ATOM 513 N AARG A 21 3.102 0.204 -5.565 0.20 0.00 N ATOM 514 N BARG A 21 2.506 0.918 -5.250 0.80 0.00 N ATOM 515 CA AARG A 21 2.189 -0.448 -4.634 0.20 0.00 C ATOM 516 CA BARG A 21 1.851 0.223 -4.147 0.80 0.00 C ATOM 517 C AARG A 21 0.790 0.153 -4.735 0.20 0.00 C ATOM 518 C BARG A 21 0.388 0.641 -4.035 0.80 0.00 C ATOM 519 O AARG A 21 0.534 1.017 -5.571 0.20 0.00 O ATOM 520 O BARG A 21 0.073 1.829 -3.968 0.80 0.00 O ATOM 521 CB AARG A 21 2.711 -0.320 -3.203 0.20 0.00 C ATOM 522 CB BARG A 21 2.578 0.511 -2.834 0.80 0.00 C ATOM 523 CG AARG A 21 4.132 -0.829 -3.023 0.20 0.00 C ATOM 524 CG BARG A 21 3.473 -0.628 -2.372 0.80 0.00 C ATOM 525 CD AARG A 21 4.689 -0.454 -1.659 0.20 0.00 C ATOM 526 CD BARG A 21 4.623 -0.120 -1.518 0.80 0.00 C ATOM 527 NE AARG A 21 3.699 -0.618 -0.599 0.20 0.00 N ATOM 528 NE BARG A 21 4.157 0.681 -0.388 0.80 0.00 N ATOM 529 CZ AARG A 21 3.769 0.001 0.574 0.20 0.00 C ATOM 530 CZ BARG A 21 4.879 0.903 0.704 0.80 0.00 C ATOM 531 NH1AARG A 21 4.776 0.824 0.835 0.20 0.00 N ATOM 532 NH1BARG A 21 6.096 0.387 0.815 0.80 0.00 N ATOM 533 NH2AARG A 21 2.828 -0.200 1.489 0.20 0.00 N ATOM 534 NH2BARG A 21 4.384 1.641 1.689 0.80 0.00 N ATOM 0 H AARG A 21 3.921 0.625 -5.127 0.20 0.00 H new ATOM 0 H BARG A 21 2.920 1.815 -4.997 0.80 0.00 H new ATOM 0 HA AARG A 21 2.131 -1.504 -4.898 0.20 0.00 H new ATOM 0 HA BARG A 21 1.890 -0.848 -4.348 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.669 0.727 -2.903 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.181 1.411 -2.952 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.050 -0.871 -2.534 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.841 0.721 -2.059 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.149 -1.913 -3.139 0.20 0.00 H new ATOM 0 HG2BARG A 21 2.884 -1.347 -1.802 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.770 -0.415 -3.804 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.868 -1.157 -3.239 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.560 -1.073 -1.441 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.201 -0.967 -1.148 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.030 0.581 -1.679 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.294 0.479 -2.134 0.80 0.00 H new ATOM 0 HE AARG A 21 2.910 -1.242 -0.768 0.20 0.00 H new ATOM 0 HE BARG A 21 3.225 1.092 -0.441 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.500 0.983 0.134 0.20 0.00 H new ATOM 0 HH11BARG A 21 6.479 -0.182 0.060 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.827 1.298 1.737 0.20 0.00 H new ATOM 0 HH12BARG A 21 6.648 0.559 1.655 0.80 0.00 H new ATOM 0 HH21AARG A 21 2.051 -0.830 1.291 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.448 2.038 1.608 0.80 0.00 H new ATOM 0 HH22AARG A 21 2.882 0.276 2.390 0.20 0.00 H new ATOM 0 HH22BARG A 21 4.939 1.811 2.528 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.111 -0.312 -3.874 0.20 0.00 N ATOM 562 N BVAL A 22 -0.503 -0.345 -4.013 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.483 0.180 -3.864 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.933 -0.081 -3.907 0.80 0.00 C ATOM 565 C AVAL A 22 -1.958 0.455 -2.442 0.20 0.00 C ATOM 566 C BVAL A 22 -2.308 0.355 -2.495 0.80 0.00 C ATOM 567 O AVAL A 22 -1.362 -0.018 -1.475 0.20 0.00 O ATOM 568 O BVAL A 22 -1.811 -0.194 -1.513 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.444 -0.825 -4.529 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.764 -1.322 -4.288 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.158 -0.930 -6.020 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.247 -1.055 -4.080 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.336 -2.187 -3.860 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.482 -1.730 -5.726 0.80 0.00 C ATOM 0 H AVAL A 22 0.085 -1.028 -3.175 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.260 -1.334 -4.067 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.490 1.110 -4.432 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.158 0.725 -4.605 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.465 -0.464 -4.403 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.474 -2.147 -3.638 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -2.846 -1.644 -6.473 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.818 -1.942 -4.354 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.290 0.047 -6.485 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.430 -0.815 -3.033 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.133 -1.268 -6.171 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.557 -0.217 -4.704 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.021 -2.884 -4.342 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.077 -2.608 -5.978 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.315 -2.558 -3.953 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.743 -0.910 -6.395 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.594 -2.096 -2.805 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.423 -1.965 -5.837 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.036 1.222 -2.322 0.20 0.00 N ATOM 594 N BTYR A 23 -3.189 1.346 -2.402 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.590 1.563 -1.018 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.630 1.857 -1.110 0.80 0.00 C ATOM 597 C ATYR A 23 -5.019 2.083 -1.152 0.20 0.00 C ATOM 598 C BTYR A 23 -5.083 2.317 -1.174 0.80 0.00 C ATOM 599 O ATYR A 23 -5.587 2.093 -2.243 0.20 0.00 O ATOM 600 O BTYR A 23 -5.713 2.278 -2.231 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.718 2.610 -0.326 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.736 3.015 -0.664 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.433 3.824 -1.183 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.791 4.213 -1.586 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.203 4.975 -1.068 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.748 5.205 -1.408 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.397 3.817 -2.109 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.891 4.350 -2.634 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.947 6.084 -1.849 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.803 6.301 -2.248 0.80 0.00 C ATOM 611 CE2ATYR A 23 -1.135 4.924 -2.894 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.937 5.443 -3.478 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.913 6.056 -2.759 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.896 6.416 -3.281 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.655 7.158 -3.541 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.947 7.506 -4.119 0.80 0.00 O ATOM 0 H ATYR A 23 -3.543 1.619 -3.113 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.611 1.811 -3.206 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.607 0.657 -0.412 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.555 1.048 -0.383 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.210 2.931 0.592 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -3.031 3.325 0.339 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.773 2.150 -0.037 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.706 2.664 -0.599 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -4.015 5.002 -0.356 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.460 5.118 -0.601 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.787 2.932 -2.217 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.142 3.589 -2.792 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.555 6.971 -1.747 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.552 7.064 -2.096 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.326 4.903 -3.609 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.227 5.535 -4.287 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.723 6.911 -4.487 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.238 7.435 -4.792 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.592 2.513 -0.034 0.20 0.00 N ATOM 636 N BTYR A 24 -5.609 2.751 -0.033 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.953 3.034 -0.023 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.989 3.217 0.043 0.80 0.00 C ATOM 639 C ATYR A 24 -6.965 4.528 0.289 0.20 0.00 C ATOM 640 C BTYR A 24 -7.055 4.636 0.601 0.80 0.00 C ATOM 641 O ATYR A 24 -6.061 5.042 0.947 0.20 0.00 O ATOM 642 O BTYR A 24 -6.425 4.945 1.613 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.802 2.280 1.001 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.821 2.274 0.914 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.554 0.790 1.016 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.567 0.810 0.633 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.361 -0.076 0.289 0.20 0.00 C ATOM 648 CD1BTYR A 24 -7.955 0.238 -0.573 0.80 0.00 C ATOM 649 CD2ATYR A 24 -6.512 0.247 1.759 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.943 0.000 1.573 0.80 0.00 C ATOM 651 CE1ATYR A 24 -8.138 -1.439 0.299 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.726 -1.100 -0.834 0.80 0.00 C ATOM 653 CE2ATYR A 24 -6.280 -1.116 1.774 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.711 -1.338 1.320 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.096 -1.955 1.044 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.104 -1.884 0.116 0.80 0.00 C ATOM 657 OH ATYR A 24 -6.870 -3.312 1.057 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.874 -3.216 -0.140 0.80 0.00 O ATOM 0 H ATYR A 24 -5.134 2.511 0.878 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.101 2.790 0.851 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.378 2.887 -1.016 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.400 3.224 -0.967 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.601 2.683 1.994 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.606 2.477 1.963 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.856 2.462 0.791 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.879 2.487 0.759 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -9.177 0.324 -0.294 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.443 0.849 -1.318 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -5.873 0.901 2.334 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.634 0.423 2.517 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -8.775 -2.098 -0.273 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -8.032 -1.529 -1.776 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -5.464 -1.522 2.354 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -6.224 -1.954 2.062 0.80 0.00 H new ATOM 0 HH ATYR A 24 -6.099 -3.510 1.629 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.427 -3.625 0.630 0.80 0.00 H new ATOM 677 N APHE A 25 -7.994 5.217 -0.191 0.20 0.00 N ATOM 678 N BPHE A 25 -7.823 5.492 -0.062 0.80 0.00 N ATOM 679 CA APHE A 25 -8.124 6.653 0.035 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.973 6.877 0.367 0.80 0.00 C ATOM 681 C APHE A 25 -9.531 7.003 0.511 0.20 0.00 C ATOM 682 C BPHE A 25 -9.447 7.245 0.513 0.80 0.00 C ATOM 683 O APHE A 25 -10.521 6.614 -0.107 0.20 0.00 O ATOM 684 O BPHE A 25 -10.292 6.783 -0.250 0.80 0.00 O ATOM 685 CB APHE A 25 -7.800 7.424 -1.245 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.297 7.819 -0.632 0.80 0.00 C ATOM 687 CG APHE A 25 -8.083 8.895 -1.146 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.609 9.269 -0.395 0.80 0.00 C ATOM 689 CD1APHE A 25 -9.300 9.410 -1.563 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.677 9.875 -1.037 0.80 0.00 C ATOM 691 CD2APHE A 25 -7.131 9.765 -0.637 0.20 0.00 C ATOM 692 CD2BPHE A 25 -6.834 10.025 0.469 0.80 0.00 C ATOM 693 CE1APHE A 25 -9.565 10.762 -1.474 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.967 11.209 -0.822 0.80 0.00 C ATOM 695 CE2APHE A 25 -7.391 11.118 -0.544 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.120 11.358 0.691 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.608 11.620 -0.964 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.187 11.953 0.044 0.80 0.00 C ATOM 0 H APHE A 25 -8.750 4.806 -0.739 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.352 5.251 -0.900 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.415 6.939 0.812 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.492 6.984 1.339 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.748 7.280 -1.490 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.218 7.675 -0.582 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.379 7.005 -2.068 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.608 7.549 -1.641 0.80 0.00 H new ATOM 0 HD1APHE A 25 -10.051 8.745 -1.963 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -9.290 9.298 -1.713 0.80 0.00 H new ATOM 0 HD2APHE A 25 -6.176 9.381 -0.310 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -5.997 9.567 0.975 0.80 0.00 H new ATOM 0 HE1APHE A 25 -10.518 11.149 -1.802 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.802 11.670 -1.330 0.80 0.00 H new ATOM 0 HE2APHE A 25 -6.642 11.785 -0.142 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.510 11.935 1.370 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.811 12.678 -0.894 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.411 12.996 0.214 0.80 0.00 H new ATOM 717 N AASN A 26 -9.611 7.739 1.616 0.20 0.00 N ATOM 718 N BASN A 26 -9.745 8.080 1.503 0.80 0.00 N ATOM 719 CA AASN A 26 -10.895 8.140 2.176 0.20 0.00 C ATOM 720 CA BASN A 26 -11.117 8.512 1.751 0.80 0.00 C ATOM 721 C AASN A 26 -11.269 9.550 1.724 0.20 0.00 C ATOM 722 C BASN A 26 -11.326 9.952 1.297 0.80 0.00 C ATOM 723 O AASN A 26 -10.638 10.529 2.127 0.20 0.00 O ATOM 724 O BASN A 26 -10.598 10.858 1.710 0.80 0.00 O ATOM 725 CB AASN A 26 -10.851 8.076 3.704 0.20 0.00 C ATOM 726 CB BASN A 26 -11.453 8.379 3.237 0.80 0.00 C ATOM 727 CG AASN A 26 -12.203 8.356 4.332 0.20 0.00 C ATOM 728 CG BASN A 26 -12.948 8.389 3.497 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.601 9.511 4.486 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.715 8.993 2.745 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.916 7.297 4.699 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.369 7.719 4.561 0.80 0.00 N ATOM 0 H AASN A 26 -8.801 8.069 2.140 0.20 0.00 H new ATOM 0 H BASN A 26 -9.056 8.471 2.146 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.654 7.448 1.812 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.783 7.870 1.175 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.506 7.090 4.014 0.20 0.00 H new ATOM 0 HB2BASN A 26 -11.027 7.452 3.621 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.124 8.799 4.075 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.986 9.196 3.786 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.833 7.423 5.128 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.364 7.689 4.784 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.547 6.358 4.552 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.698 7.233 5.156 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.297 9.644 0.888 0.20 0.00 N ATOM 746 N BHIS A 27 -12.325 10.161 0.447 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.755 10.935 0.384 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.631 11.492 -0.063 0.80 0.00 C ATOM 749 C AHIS A 27 -13.853 11.508 1.275 0.20 0.00 C ATOM 750 C BHIS A 27 -13.443 12.288 0.954 0.80 0.00 C ATOM 751 O AHIS A 27 -14.822 12.089 0.786 0.20 0.00 O ATOM 752 O BHIS A 27 -13.539 13.515 0.864 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.267 10.793 -1.049 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.399 11.394 -1.382 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.539 10.009 -1.155 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.599 10.501 -1.310 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.132 9.159 -0.283 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.829 10.927 -0.857 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.358 10.048 -2.265 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.755 9.197 -1.642 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.285 8.706 -0.876 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.688 9.925 -0.907 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.399 9.258 -2.070 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -16.061 8.864 -1.382 0.80 0.00 N ATOM 0 H AHIS A 27 -12.829 8.844 0.545 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.937 9.425 0.096 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.909 11.622 0.394 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.689 12.012 -0.239 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.426 11.786 -1.470 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.716 12.392 -1.683 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.500 10.309 -1.654 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.728 11.025 -2.158 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -15.176 10.633 -3.154 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.993 8.541 -2.038 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.985 8.011 -0.437 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.726 9.966 -0.610 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -17.161 9.101 -2.730 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.479 7.946 -1.531 0.80 0.00 H new ATOM 779 N AILE A 28 -13.695 11.337 2.584 0.20 0.00 N ATOM 780 N BILE A 28 -14.027 11.587 1.918 0.80 0.00 N ATOM 781 CA AILE A 28 -14.673 11.838 3.541 0.20 0.00 C ATOM 782 CA BILE A 28 -14.831 12.229 2.952 0.80 0.00 C ATOM 783 C AILE A 28 -13.995 12.622 4.661 0.20 0.00 C ATOM 784 C BILE A 28 -13.959 12.710 4.105 0.80 0.00 C ATOM 785 O AILE A 28 -14.485 13.668 5.086 0.20 0.00 O ATOM 786 O BILE A 28 -14.078 13.850 4.556 0.80 0.00 O ATOM 787 CB AILE A 28 -15.495 10.692 4.160 0.20 0.00 C ATOM 788 CB BILE A 28 -15.910 11.276 3.499 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.293 9.965 3.073 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.876 10.868 2.385 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.423 11.226 5.240 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.662 11.933 4.647 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.376 10.817 2.451 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.997 9.970 2.856 0.80 0.00 C ATOM 0 H AILE A 28 -12.900 10.856 3.005 0.20 0.00 H new ATOM 0 H BILE A 28 -13.959 10.573 2.006 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.342 12.499 2.990 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.319 13.086 2.487 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.810 9.980 4.620 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.423 10.377 3.876 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.609 9.633 2.292 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.304 11.766 1.939 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.746 9.071 3.502 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.318 10.357 1.600 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.996 10.403 5.667 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.422 11.248 5.024 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.833 11.702 6.023 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.963 12.176 5.448 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.105 11.956 4.805 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.141 12.846 4.293 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.901 10.240 1.690 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.642 9.721 2.013 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.082 11.128 3.221 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.579 9.055 3.275 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.927 11.698 1.993 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.580 10.485 3.619 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.862 12.111 5.131 0.20 0.00 N ATOM 818 N BTHR A 29 -13.078 11.833 4.580 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.116 12.762 6.200 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.185 12.167 5.682 0.80 0.00 C ATOM 821 C ATHR A 29 -10.677 13.032 5.780 0.20 0.00 C ATOM 822 C BTHR A 29 -10.864 12.733 5.168 0.80 0.00 C ATOM 823 O ATHR A 29 -9.775 13.086 6.616 0.20 0.00 O ATOM 824 O BTHR A 29 -10.126 13.379 5.909 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.112 11.909 7.484 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.896 10.938 6.563 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.979 10.781 7.325 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.935 9.747 5.771 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.561 12.733 8.682 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.906 10.834 7.696 0.80 0.00 C ATOM 0 H ATHR A 29 -12.441 11.248 4.788 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.965 10.886 4.218 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.617 13.709 6.403 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.692 12.923 6.282 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.094 11.563 7.661 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.902 11.054 6.994 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.970 10.243 8.144 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.749 8.970 6.339 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.550 12.110 9.577 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.681 9.958 8.305 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.883 13.576 8.818 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.852 11.730 8.315 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.571 13.104 8.510 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.910 10.740 7.281 0.80 0.00 H new ATOM 845 N AASN A 30 -10.467 13.202 4.478 0.20 0.00 N ATOM 846 N BASN A 30 -10.576 12.483 3.894 0.80 0.00 N ATOM 847 CA AASN A 30 -9.135 13.467 3.947 0.20 0.00 C ATOM 848 CA BASN A 30 -9.345 12.967 3.281 0.80 0.00 C ATOM 849 C AASN A 30 -8.116 12.488 4.522 0.20 0.00 C ATOM 850 C BASN A 30 -8.122 12.354 3.959 0.80 0.00 C ATOM 851 O AASN A 30 -6.956 12.839 4.736 0.20 0.00 O ATOM 852 O BASN A 30 -7.298 13.063 4.536 0.80 0.00 O ATOM 853 CB AASN A 30 -8.713 14.904 4.263 0.20 0.00 C ATOM 854 CB BASN A 30 -9.276 14.492 3.364 0.80 0.00 C ATOM 855 CG AASN A 30 -9.345 15.912 3.325 0.20 0.00 C ATOM 856 CG BASN A 30 -8.353 15.086 2.317 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.309 16.592 3.683 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.798 15.779 1.402 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.807 16.014 2.115 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.060 14.817 2.447 0.80 0.00 N ATOM 0 H AASN A 30 -11.202 13.161 3.772 0.20 0.00 H new ATOM 0 H BASN A 30 -11.178 11.949 3.267 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.169 13.335 2.866 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.347 12.666 2.233 0.80 0.00 H new ATOM 0 HB2AASN A 30 -8.990 15.144 5.290 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.277 14.906 3.239 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.628 14.983 4.199 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.932 14.784 4.356 0.80 0.00 H new ATOM 0 HD21AASN A 30 -9.191 16.675 1.440 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.391 15.189 1.773 0.80 0.00 H new ATOM 0 HD22AASN A 30 -8.009 15.431 1.861 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.735 14.238 3.221 0.80 0.00 H new ATOM 873 N AALA A 31 -8.557 11.259 4.765 0.20 0.00 N ATOM 874 N BALA A 31 -8.012 11.031 3.883 0.80 0.00 N ATOM 875 CA AALA A 31 -7.682 10.227 5.311 0.20 0.00 C ATOM 876 CA BALA A 31 -6.889 10.323 4.486 0.80 0.00 C ATOM 877 C AALA A 31 -7.155 9.316 4.208 0.20 0.00 C ATOM 878 C BALA A 31 -6.612 9.014 3.757 0.80 0.00 C ATOM 879 O AALA A 31 -7.774 9.179 3.153 0.20 0.00 O ATOM 880 O BALA A 31 -7.478 8.484 3.062 0.80 0.00 O ATOM 881 CB AALA A 31 -8.421 9.413 6.363 0.20 0.00 C ATOM 882 CB BALA A 31 -7.162 10.062 5.961 0.80 0.00 C ATOM 0 H AALA A 31 -9.515 10.953 4.593 0.20 0.00 H new ATOM 0 H BALA A 31 -8.686 10.429 3.410 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.829 10.717 5.780 0.20 0.00 H new ATOM 0 HA BALA A 31 -6.003 10.952 4.397 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.757 8.646 6.762 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.316 9.533 6.400 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.744 10.070 7.171 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.304 11.011 6.478 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.292 8.939 5.911 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.062 9.455 6.063 0.80 0.00 H new ATOM 893 N ASER A 32 -6.007 8.694 4.461 0.20 0.00 N ATOM 894 N BSER A 32 -5.398 8.497 3.921 0.80 0.00 N ATOM 895 CA ASER A 32 -5.393 7.798 3.489 0.20 0.00 C ATOM 896 CA BSER A 32 -5.004 7.251 3.274 0.80 0.00 C ATOM 897 C ASER A 32 -4.381 6.876 4.162 0.20 0.00 C ATOM 898 C BSER A 32 -4.543 6.225 4.305 0.80 0.00 C ATOM 899 O ASER A 32 -3.301 7.310 4.562 0.20 0.00 O ATOM 900 O BSER A 32 -4.002 6.582 5.350 0.80 0.00 O ATOM 901 CB ASER A 32 -4.709 8.604 2.382 0.20 0.00 C ATOM 902 CB BSER A 32 -3.888 7.508 2.259 0.80 0.00 C ATOM 903 OG ASER A 32 -3.550 9.259 2.871 0.20 0.00 O ATOM 904 OG BSER A 32 -3.992 6.630 1.152 0.80 0.00 O ATOM 0 H ASER A 32 -5.484 8.795 5.331 0.20 0.00 H new ATOM 0 H BSER A 32 -4.671 8.922 4.496 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.180 7.185 3.050 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.874 6.851 2.753 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.437 7.942 1.560 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.937 8.541 1.914 0.80 0.00 H new ATOM 0 HB3ASER A 32 -5.405 9.341 1.981 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.918 7.379 2.740 0.80 0.00 H new ATOM 0 HG ASER A 32 -3.300 8.877 3.738 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.769 6.045 1.270 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.740 5.602 4.281 0.20 0.00 N ATOM 916 N BGLN A 33 -4.765 4.951 4.001 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.864 4.619 4.906 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.375 3.872 4.902 0.80 0.00 C ATOM 919 C AGLN A 33 -3.709 3.386 4.021 0.20 0.00 C ATOM 920 C BGLN A 33 -4.057 2.600 4.123 0.80 0.00 C ATOM 921 O AGLN A 33 -4.553 3.114 3.166 0.20 0.00 O ATOM 922 O BGLN A 33 -4.798 2.212 3.220 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.412 4.213 6.275 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.485 3.599 5.917 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.844 3.707 6.231 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.090 2.608 7.000 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.154 2.731 7.349 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.138 2.483 8.089 0.80 0.00 C ATOM 929 OE1AGLN A 33 -5.301 2.437 8.187 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.225 3.326 8.983 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.379 2.218 7.366 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.940 1.428 8.019 0.80 0.00 N ATOM 0 H AGLN A 33 -5.630 5.227 3.953 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.212 4.640 3.139 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.883 5.076 5.036 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.476 4.185 5.434 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.774 3.436 6.697 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.777 4.539 6.385 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.359 5.069 6.947 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.361 3.220 5.391 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.527 4.554 6.294 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.923 1.630 6.548 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.025 3.223 5.271 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.145 2.920 7.445 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.055 2.489 6.652 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.832 0.755 7.260 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -7.643 1.553 8.093 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.665 1.290 8.724 0.80 0.00 H new ATOM 949 N APHE A 34 -2.627 2.645 4.232 0.20 0.00 N ATOM 950 N BPHE A 34 -2.953 1.955 4.478 0.80 0.00 N ATOM 951 CA APHE A 34 -2.362 1.441 3.453 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.535 0.725 3.812 0.80 0.00 C ATOM 953 C APHE A 34 -3.174 0.261 3.979 0.20 0.00 C ATOM 954 C BPHE A 34 -3.287 -0.478 4.372 0.80 0.00 C ATOM 955 O APHE A 34 -3.533 -0.644 3.225 0.20 0.00 O ATOM 956 O BPHE A 34 -3.594 -1.422 3.645 0.80 0.00 O ATOM 957 CB APHE A 34 -0.871 1.103 3.487 0.20 0.00 C ATOM 958 CB BPHE A 34 -1.027 0.519 3.973 0.80 0.00 C ATOM 959 CG APHE A 34 0.019 2.302 3.325 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.202 1.568 3.283 0.80 0.00 C ATOM 961 CD1APHE A 34 0.642 2.872 4.423 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.731 2.309 3.989 0.80 0.00 C ATOM 963 CD2APHE A 34 0.234 2.859 2.073 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.361 1.813 1.929 0.80 0.00 C ATOM 965 CE1APHE A 34 1.462 3.976 4.278 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.492 3.274 3.358 0.80 0.00 C ATOM 967 CE2APHE A 34 1.052 3.962 1.922 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.397 2.778 1.292 0.80 0.00 C ATOM 969 CZ APHE A 34 1.667 4.521 3.026 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.324 3.509 2.009 0.80 0.00 C ATOM 0 H APHE A 34 -1.919 2.857 4.936 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.329 2.263 5.224 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.661 1.634 2.423 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.770 0.817 2.752 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.639 0.613 4.433 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.780 0.514 5.035 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.651 0.387 2.695 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.758 -0.461 3.579 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.485 2.449 5.404 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.865 2.130 5.046 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.243 2.426 1.207 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -1.085 1.244 1.365 0.80 0.00 H new ATOM 0 HE1APHE A 34 1.941 4.411 5.142 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.217 3.844 3.920 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.211 4.387 0.942 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.265 2.960 0.236 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.307 5.383 2.910 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.917 4.264 1.514 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.460 0.280 5.278 0.20 0.00 N ATOM 990 N BGLU A 35 -3.578 -0.436 5.668 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.230 -0.788 5.904 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.294 -1.524 6.325 0.80 0.00 C ATOM 993 C AGLU A 35 -5.682 -0.756 5.443 0.20 0.00 C ATOM 994 C BGLU A 35 -5.774 -1.502 5.959 0.80 0.00 C ATOM 995 O AGLU A 35 -6.270 0.315 5.283 0.20 0.00 O ATOM 996 O BGLU A 35 -6.421 -0.455 6.005 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.162 -0.668 7.428 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.131 -1.428 7.843 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.240 -2.003 8.149 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.696 -1.194 8.288 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.593 -1.965 9.519 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.320 -2.025 9.501 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.525 -2.589 9.688 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -1.108 -2.241 9.717 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -4.153 -1.312 10.424 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -3.234 -2.459 10.231 0.80 0.00 O ATOM 0 H AGLU A 35 -3.170 1.022 5.915 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.330 0.338 6.284 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.795 -1.740 5.602 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.867 -2.466 5.980 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.232 -0.170 7.703 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.755 -0.616 8.216 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -4.978 -0.032 7.770 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.498 -2.348 8.298 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.285 -2.295 8.253 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.021 -1.431 7.466 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -3.754 -2.768 7.543 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.558 -0.138 8.519 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.258 -1.936 5.232 0.20 0.00 N ATOM 1020 N BARG A 36 -6.307 -2.665 5.596 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.642 -2.044 4.788 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.710 -2.779 5.221 0.80 0.00 C ATOM 1023 C AARG A 36 -8.593 -1.466 5.831 0.20 0.00 C ATOM 1024 C BARG A 36 -8.611 -2.163 6.287 0.80 0.00 C ATOM 1025 O AARG A 36 -8.486 -1.743 7.027 0.20 0.00 O ATOM 1026 O BARG A 36 -8.768 -2.697 7.386 0.80 0.00 O ATOM 1027 CB AARG A 36 -7.998 -3.503 4.509 0.20 0.00 C ATOM 1028 CB BARG A 36 -8.085 -4.247 5.009 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.422 -3.699 4.014 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.538 -4.453 4.607 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.861 -5.151 4.134 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.985 -5.884 4.852 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.063 -5.547 5.526 0.20 0.00 N ATOM 1034 NE BARG A 36 -11.384 -5.958 5.266 0.80 0.00 N ATOM 1035 CZ AARG A 36 -10.766 -6.612 5.893 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.909 -6.998 5.902 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.333 -7.383 4.975 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.156 -8.050 6.195 0.80 0.00 N ATOM 1039 NH2AARG A 36 -10.906 -6.907 7.178 0.20 0.00 N ATOM 1040 NH2BARG A 36 -13.190 -6.991 6.246 0.80 0.00 N ATOM 0 H AARG A 36 -5.786 -2.831 5.362 0.20 0.00 H new ATOM 0 H BARG A 36 -5.787 -3.541 5.554 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.748 -1.470 3.867 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.855 -2.234 4.288 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.306 -3.901 3.767 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.440 -4.670 4.239 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.856 -4.083 5.421 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.889 -4.800 5.928 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.098 -3.065 4.588 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.173 -3.770 5.172 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.493 -3.381 2.974 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.663 -4.207 3.553 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.787 -5.297 3.577 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.845 -6.468 3.942 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.110 -5.796 3.679 0.20 0.00 H new ATOM 0 HD3BARG A 36 -9.356 -6.334 5.620 0.80 0.00 H new ATOM 0 HE AARG A 36 -9.641 -4.974 6.256 0.20 0.00 H new ATOM 0 HE BARG A 36 -11.991 -5.166 5.055 0.80 0.00 H new ATOM 0 HH11AARG A 36 -11.229 -7.158 3.985 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.171 -8.061 5.931 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.873 -8.201 5.258 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.562 -8.848 6.684 0.80 0.00 H new ATOM 0 HH21AARG A 36 -10.473 -6.315 7.887 0.20 0.00 H new ATOM 0 HH21BARG A 36 -13.774 -6.185 6.022 0.80 0.00 H new ATOM 0 HH22AARG A 36 -11.447 -7.726 7.457 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.591 -7.791 6.735 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.550 -0.643 5.372 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.214 -1.010 5.958 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.538 -0.011 6.249 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.108 -0.296 6.875 0.80 0.00 C ATOM 1071 C APRO A 37 -11.537 -1.014 6.815 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.424 -1.034 7.095 0.80 0.00 C ATOM 1073 O APRO A 37 -11.966 -1.936 6.122 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.754 -1.966 6.361 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.244 0.986 5.325 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.356 1.035 6.161 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.072 0.422 3.958 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.141 0.737 4.718 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.736 -0.270 3.960 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.070 -0.317 4.668 0.80 0.00 C ATOM 0 HA APRO A 37 -10.074 0.449 7.121 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.672 -0.190 7.869 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.298 1.086 5.582 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.367 1.400 6.343 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.802 1.979 5.402 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.671 1.806 6.512 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.873 -0.278 3.721 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.060 0.382 4.252 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.103 1.209 3.204 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.834 1.632 4.176 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.735 -1.145 3.309 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.214 -0.997 3.828 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.941 0.389 3.610 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.079 0.122 4.556 0.80 0.00 H new ATOM 1095 N ASER A 38 -11.905 -0.827 8.078 0.20 0.00 N ATOM 1096 N BSER A 38 -12.169 -0.614 8.112 0.80 0.00 N ATOM 1097 CA ASER A 38 -12.852 -1.718 8.739 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.448 -1.240 8.431 0.80 0.00 C ATOM 1099 C ASER A 38 -14.277 -1.434 8.275 0.20 0.00 C ATOM 1100 C BSER A 38 -14.499 -0.186 8.765 0.80 0.00 C ATOM 1101 O ASER A 38 -14.938 -2.298 7.702 0.20 0.00 O ATOM 1102 O BSER A 38 -14.185 0.993 8.920 0.80 0.00 O ATOM 1103 CB ASER A 38 -12.756 -1.562 10.258 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.288 -2.207 9.606 0.80 0.00 C ATOM 1105 OG ASER A 38 -12.994 -0.221 10.650 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.517 -2.841 9.915 0.80 0.00 O ATOM 0 H ASER A 38 -11.562 -0.066 8.665 0.20 0.00 H new ATOM 0 H BSER A 38 -11.910 0.156 8.729 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.598 -2.744 8.470 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.781 -1.796 7.555 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.480 -2.219 10.740 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.538 -2.960 9.362 0.80 0.00 H new ATOM 0 HB3ASER A 38 -11.768 -1.873 10.597 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.924 -1.666 10.480 0.80 0.00 H new ATOM 0 HG ASER A 38 -12.929 -0.149 11.625 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.388 -3.455 10.668 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.745 -0.216 8.529 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.751 -0.622 8.873 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.089 0.160 8.134 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.830 0.295 9.188 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.094 -0.014 9.255 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.188 -0.381 9.177 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.092 -1.032 9.948 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.442 -1.227 10.032 0.80 0.00 O ATOM 0 H AGLY A 39 -14.217 0.517 9.002 0.20 0.00 H new ATOM 0 H BGLY A 39 -16.036 -1.593 8.748 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.091 1.200 7.807 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.654 0.734 10.170 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.395 -0.443 7.279 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.829 1.113 8.468 0.80 0.00 H new