USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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= 0.239 K(o=-7.4,f=-20!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -5.96! C(o=-7.4!,f=-17!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= -0.712 USER MOD Set 1.4: A 29 THR OG1B: rot 170:sc= -0.959 USER MOD Set 2.1: A 5 SER OG A: rot 167:sc= 0.0154 USER MOD Set 2.2: A 6 LYS NZ A:NH3+ 154:sc= 0.589 (180deg=0) USER MOD Single : A 5 SER OG B: rot 180:sc= 0 USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 96:sc= 1.81 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.223 K(o=-0.22,f=-1.2!) USER MOD Single : A 18 ASN B: amide:sc= -0.0431 X(o=-0.043,f=-0.27) USER MOD Single : A 19 SER OG A: rot 170:sc= 0.109 USER MOD Single : A 19 SER OG B: rot -120:sc= 0.136 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 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 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HD1:sc= -1.47 K(o=-1.5,f=-4.6!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.122 K(o=0.12,f=-1.4!) USER MOD Single : A 30 ASN A: amide:sc= 0.369 X(o=0.37,f=-0.037) USER MOD Single : A 30 ASN B: amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.0192 USER MOD Single : A 32 SER OG B: rot 71:sc= 0.0107 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 33 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.107 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.077 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.073 -2.010 -7.231 0.50 0.00 N ATOM 2 N BSER A 5 -13.263 -2.816 -7.037 0.50 0.00 N ATOM 3 CA ASER A 5 -11.691 -3.369 -6.868 0.50 0.00 C ATOM 4 CA BSER A 5 -12.701 -3.935 -6.289 0.50 0.00 C ATOM 5 C ASER A 5 -12.744 -4.007 -5.968 0.50 0.00 C ATOM 6 C BSER A 5 -13.310 -4.014 -4.893 0.50 0.00 C ATOM 7 O ASER A 5 -13.504 -4.874 -6.398 0.50 0.00 O ATOM 8 O BSER A 5 -14.168 -3.209 -4.530 0.50 0.00 O ATOM 9 CB ASER A 5 -10.332 -3.370 -6.163 0.50 0.00 C ATOM 10 CB BSER A 5 -11.182 -3.795 -6.188 0.50 0.00 C ATOM 11 OG ASER A 5 -10.168 -4.535 -5.374 0.50 0.00 O ATOM 12 OG BSER A 5 -10.819 -2.902 -5.149 0.50 0.00 O ATOM 0 HA ASER A 5 -11.617 -3.955 -7.784 0.50 0.00 H new ATOM 0 HA BSER A 5 -12.939 -4.855 -6.823 0.50 0.00 H new ATOM 0 HB2ASER A 5 -9.534 -3.313 -6.904 0.50 0.00 H new ATOM 0 HB2BSER A 5 -10.735 -4.772 -6.004 0.50 0.00 H new ATOM 0 HB3ASER A 5 -10.245 -2.485 -5.533 0.50 0.00 H new ATOM 0 HB3BSER A 5 -10.783 -3.435 -7.137 0.50 0.00 H new ATOM 0 HG ASER A 5 -9.229 -4.618 -5.105 0.50 0.00 H new ATOM 0 HG BSER A 5 -9.843 -2.831 -5.105 0.50 0.00 H new ATOM 23 N ALYS A 6 -12.781 -3.572 -4.713 0.50 0.00 N ATOM 24 N BLYS A 6 -12.860 -4.991 -4.113 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.741 -4.098 -3.748 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.357 -5.177 -2.754 0.50 0.00 C ATOM 27 C ALYS A 6 -13.667 -3.331 -2.434 0.50 0.00 C ATOM 28 C BLYS A 6 -12.846 -4.077 -1.831 0.50 0.00 C ATOM 29 O ALYS A 6 -13.240 -3.869 -1.410 0.50 0.00 O ATOM 30 O BLYS A 6 -11.646 -3.984 -1.566 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.480 -5.586 -3.499 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.934 -6.547 -2.219 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.053 -5.891 -3.079 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.436 -6.786 -2.276 0.50 0.00 C ATOM 35 CD ALYS A 6 -11.610 -7.261 -3.565 0.50 0.00 C ATOM 36 CD BLYS A 6 -11.108 -8.115 -2.936 0.50 0.00 C ATOM 37 CE ALYS A 6 -11.463 -7.296 -5.079 0.50 0.00 C ATOM 38 CE BLYS A 6 -10.860 -7.950 -4.428 0.50 0.00 C ATOM 39 NZ ALYS A 6 -10.037 -7.384 -5.497 0.50 0.00 N ATOM 40 NZ BLYS A 6 -9.746 -8.814 -4.905 0.50 0.00 N ATOM 0 H ALYS A 6 -12.157 -2.856 -4.340 0.50 0.00 H new ATOM 0 H BLYS A 6 -12.151 -5.667 -4.399 0.50 0.00 H new ATOM 0 HA ALYS A 6 -14.741 -3.975 -4.163 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.445 -5.124 -2.781 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -14.161 -5.941 -2.726 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -13.270 -6.644 -1.187 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.710 -6.144 -4.407 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.439 -7.324 -2.793 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -11.384 -5.128 -3.478 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -10.958 -5.977 -2.828 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -11.975 -5.846 -1.993 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -11.025 -6.769 -1.267 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -10.660 -7.523 -3.100 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -10.226 -8.548 -2.465 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -12.336 -8.011 -3.252 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -11.929 -8.814 -2.778 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -12.011 -8.150 -5.477 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -11.770 -8.195 -4.976 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -11.912 -6.400 -5.508 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -10.629 -6.907 -4.644 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -9.977 -7.834 -6.432 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -9.609 -8.672 -5.926 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -9.630 -6.428 -5.546 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -8.872 -8.563 -4.400 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -9.507 -7.951 -4.805 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -9.977 -9.811 -4.722 0.50 0.00 H new ATOM 67 N ALEU A 7 -14.087 -2.070 -2.464 0.50 0.00 N ATOM 68 N BLEU A 7 -13.760 -3.248 -1.344 0.50 0.00 N ATOM 69 CA ALEU A 7 -14.070 -1.227 -1.275 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.401 -2.154 -0.447 0.50 0.00 C ATOM 71 C ALEU A 7 -15.475 -0.750 -0.924 0.50 0.00 C ATOM 72 C BLEU A 7 -14.646 -1.438 0.067 0.50 0.00 C ATOM 73 O ALEU A 7 -16.371 -0.710 -1.768 0.50 0.00 O ATOM 74 O BLEU A 7 -15.713 -1.480 -0.545 0.50 0.00 O ATOM 75 CB ALEU A 7 -13.149 -0.025 -1.489 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.489 -1.157 -1.167 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.667 -0.250 -1.185 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.165 -0.243 -2.189 0.50 0.00 C ATOM 79 CD1ALEU A 7 -11.178 -1.532 -1.843 0.50 0.00 C ATOM 80 CD1BLEU A 7 -13.026 1.214 -1.777 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.840 0.940 -1.649 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.579 -0.468 -3.575 0.50 0.00 C ATOM 0 H ALEU A 7 -14.444 -1.609 -3.301 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.756 -3.311 -1.554 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.691 -1.823 -0.445 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.869 -2.577 0.405 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.241 0.298 -2.526 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.003 -0.533 -0.417 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.506 0.796 -0.867 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.703 -1.716 -1.674 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.547 -0.350 -0.106 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.226 -0.488 -2.222 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -10.122 -1.677 -1.617 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.513 1.849 -2.517 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.750 -2.378 -1.462 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.495 1.364 -0.805 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.311 -1.461 -2.922 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.970 1.475 -1.714 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.788 0.762 -1.424 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -13.072 0.191 -4.290 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.964 1.072 -2.724 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.511 -0.251 -3.558 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.174 1.839 -1.132 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.734 -1.505 -3.871 0.50 0.00 H new ATOM 105 N APRO A 8 -15.674 -0.376 0.347 0.50 0.00 N ATOM 106 N BPRO A 8 -14.509 -0.765 1.220 0.50 0.00 N ATOM 107 CA APRO A 8 -16.969 0.108 0.837 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.612 -0.027 1.841 0.50 0.00 C ATOM 109 C APRO A 8 -17.324 1.480 0.275 0.50 0.00 C ATOM 110 C BPRO A 8 -15.997 1.216 1.047 0.50 0.00 C ATOM 111 O APRO A 8 -16.522 2.130 -0.395 0.50 0.00 O ATOM 112 O BPRO A 8 -15.230 1.722 0.227 0.50 0.00 O ATOM 113 CB APRO A 8 -16.769 0.185 2.353 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.049 0.366 3.209 0.50 0.00 C ATOM 115 CG APRO A 8 -15.300 0.362 2.531 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.572 0.393 3.017 0.50 0.00 C ATOM 117 CD APRO A 8 -14.652 -0.397 1.407 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.266 -0.674 2.003 0.50 0.00 C ATOM 0 HA APRO A 8 -17.789 -0.544 0.535 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.523 -0.623 1.894 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.324 1.019 2.784 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.425 1.338 3.527 0.50 0.00 H new ATOM 0 HB3APRO A 8 -17.121 -0.721 2.846 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.335 -0.353 3.976 0.50 0.00 H new ATOM 0 HG2APRO A 8 -15.027 1.417 2.498 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.242 1.371 2.666 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.975 -0.021 3.499 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.053 0.199 3.956 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.726 0.078 1.082 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.416 -0.402 1.377 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.400 -1.416 1.703 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.021 -1.623 2.480 0.50 0.00 H new ATOM 133 N APRO A 9 -18.555 1.935 0.555 0.50 0.00 N ATOM 134 N BPRO A 9 -17.214 1.724 1.294 0.50 0.00 N ATOM 135 CA APRO A 9 -19.044 3.234 0.088 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.728 2.915 0.610 0.50 0.00 C ATOM 137 C APRO A 9 -18.351 4.400 0.786 0.50 0.00 C ATOM 138 C BPRO A 9 -17.004 4.187 1.041 0.50 0.00 C ATOM 139 O APRO A 9 -18.413 4.530 2.007 0.50 0.00 O ATOM 140 O BPRO A 9 -16.586 4.317 2.189 0.50 0.00 O ATOM 141 CB APRO A 9 -20.532 3.206 0.448 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.196 2.965 1.042 0.50 0.00 C ATOM 143 CG APRO A 9 -20.626 2.251 1.588 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.232 2.245 2.346 0.50 0.00 C ATOM 145 CD APRO A 9 -19.564 1.213 1.347 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.182 1.173 2.257 0.50 0.00 C ATOM 0 HA APRO A 9 -18.851 3.382 -0.975 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.588 2.858 -0.469 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.890 4.196 0.730 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.543 3.993 1.148 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.138 2.876 -0.396 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.842 2.485 0.307 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.465 2.760 2.538 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.026 2.925 3.173 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.615 1.794 1.634 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.216 1.813 2.526 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.148 0.839 2.283 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.721 0.981 3.226 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.958 0.352 0.807 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.601 0.228 1.910 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.689 5.246 0.001 0.50 0.00 N ATOM 162 N BGLY A 10 -16.859 5.124 0.107 0.50 0.00 N ATOM 163 CA AGLY A 10 -16.993 6.388 0.561 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.184 6.373 0.409 0.50 0.00 C ATOM 165 C AGLY A 10 -15.496 6.320 0.343 0.50 0.00 C ATOM 166 C BGLY A 10 -14.701 6.319 0.102 0.50 0.00 C ATOM 167 O AGLY A 10 -14.803 7.334 0.425 0.50 0.00 O ATOM 168 O BGLY A 10 -14.127 7.294 -0.386 0.50 0.00 O ATOM 0 H AGLY A 10 -17.623 5.160 -1.013 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.197 5.040 -0.852 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.381 7.302 0.111 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.642 7.178 -0.166 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.199 6.446 1.630 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.325 6.613 1.463 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.993 5.122 0.068 0.50 0.00 N ATOM 176 N BTRP A 11 -14.079 5.180 0.386 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.567 4.924 -0.162 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.653 5.007 0.138 0.50 0.00 C ATOM 179 C ATRP A 11 -13.266 4.803 -1.650 0.50 0.00 C ATOM 180 C BTRP A 11 -12.386 4.754 -1.342 0.50 0.00 C ATOM 181 O ATRP A 11 -14.136 4.435 -2.442 0.50 0.00 O ATOM 182 O BTRP A 11 -13.163 4.082 -2.017 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.081 3.674 0.573 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.108 3.846 0.971 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.760 3.920 2.016 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.306 4.030 2.445 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.600 3.758 3.081 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.440 3.763 3.160 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.512 4.373 2.551 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.344 4.523 3.385 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.947 4.083 4.247 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.239 4.059 4.487 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.666 4.465 3.950 0.50 0.00 C ATOM 194 CE2BTRP A 11 -11.963 4.526 4.650 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.279 4.711 1.987 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.021 4.959 3.280 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.635 4.878 4.786 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.301 4.952 5.800 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.256 5.123 2.820 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.367 5.381 4.423 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.437 5.201 4.207 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.006 5.374 5.668 0.50 0.00 C ATOM 0 H ATRP A 11 -15.553 4.272 -0.001 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.540 4.363 0.788 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.038 5.795 0.225 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.144 5.926 0.429 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.846 2.901 0.505 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.596 2.923 0.658 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.193 3.289 0.071 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.044 3.729 0.766 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.625 3.424 3.017 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.358 3.376 2.744 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.352 4.046 5.182 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -13.929 3.949 5.230 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.128 4.651 0.919 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.518 4.966 2.324 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.774 4.942 5.855 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -11.793 4.949 6.762 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.300 5.390 2.394 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.345 5.722 4.354 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.616 5.522 4.831 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.466 5.708 6.542 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.030 5.113 -2.028 0.50 0.00 N ATOM 224 N BGLU A 12 -11.279 5.299 -1.841 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.616 5.040 -3.425 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.911 5.132 -3.241 0.50 0.00 C ATOM 227 C AGLU A 12 -10.276 4.323 -3.558 0.50 0.00 C ATOM 228 C BGLU A 12 -9.579 4.399 -3.370 0.50 0.00 C ATOM 229 O AGLU A 12 -9.265 4.764 -3.010 0.50 0.00 O ATOM 230 O BGLU A 12 -8.667 4.598 -2.568 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.518 6.443 -4.026 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.824 6.494 -3.935 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.294 6.448 -5.528 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.985 7.420 -3.604 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.094 7.846 -6.084 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.386 8.290 -4.779 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.146 8.004 -7.323 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.695 9.481 -4.555 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.884 8.780 -5.283 0.50 0.00 O ATOM 240 OE2BGLU A 12 -12.391 7.785 -5.920 0.50 0.00 O ATOM 0 H AGLU A 12 -11.298 5.417 -1.387 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.623 5.859 -1.296 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.369 4.471 -3.971 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.684 4.534 -3.724 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.434 6.990 -3.802 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.890 6.979 -3.650 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.701 6.979 -3.544 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.788 6.341 -5.014 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.421 5.839 -5.763 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.842 6.825 -3.288 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.149 5.984 -6.021 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.710 8.056 -2.762 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.275 3.214 -4.289 0.50 0.00 N ATOM 254 N BLYS A 13 -9.474 3.549 -4.386 0.50 0.00 N ATOM 255 CA ALYS A 13 -9.060 2.436 -4.498 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.255 2.785 -4.623 0.50 0.00 C ATOM 257 C ALYS A 13 -8.199 3.052 -5.596 0.50 0.00 C ATOM 258 C BLYS A 13 -7.407 3.437 -5.710 0.50 0.00 C ATOM 259 O ALYS A 13 -8.524 2.954 -6.778 0.50 0.00 O ATOM 260 O BLYS A 13 -7.829 3.541 -6.860 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.413 0.992 -4.861 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.599 1.349 -5.023 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.198 0.109 -5.094 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.422 0.579 -5.597 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.921 -0.079 -6.576 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.515 0.464 -7.110 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.144 -1.359 -6.840 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.099 -0.918 -7.589 0.50 0.00 C ATOM 269 NZ ALYS A 13 -6.298 -1.253 -8.061 0.50 0.00 N ATOM 270 NZ BLYS A 13 -7.862 -1.338 -8.798 0.50 0.00 N ATOM 0 H ALYS A 13 -11.103 2.833 -4.747 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.220 3.372 -5.059 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.490 2.443 -3.569 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.679 2.770 -3.698 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -10.016 0.562 -4.061 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.978 0.818 -4.150 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -10.029 0.992 -5.760 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.403 1.368 -5.758 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.326 0.554 -4.614 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.492 1.079 -5.326 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.358 -0.863 -4.627 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -7.389 -0.418 -5.157 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.864 -0.105 -7.123 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.537 0.669 -7.430 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -7.357 0.774 -6.953 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -6.879 1.218 -7.573 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -6.514 -1.585 -5.980 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.032 -0.919 -7.814 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -7.840 -2.190 -6.952 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.257 -1.642 -6.790 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.785 -2.146 -8.206 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -7.550 -2.285 -9.094 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.902 -1.063 -8.886 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -8.878 -1.362 -8.576 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -5.616 -0.476 -7.944 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -7.692 -0.661 -9.569 0.50 0.00 H new ATOM 297 N AARG A 14 -7.101 3.683 -5.196 0.50 0.00 N ATOM 298 N BARG A 14 -6.208 3.874 -5.335 0.50 0.00 N ATOM 299 CA AARG A 14 -6.193 4.314 -6.146 0.50 0.00 C ATOM 300 CA BARG A 14 -5.301 4.515 -6.279 0.50 0.00 C ATOM 301 C AARG A 14 -4.862 3.571 -6.203 0.50 0.00 C ATOM 302 C BARG A 14 -3.937 3.831 -6.273 0.50 0.00 C ATOM 303 O AARG A 14 -4.579 2.720 -5.361 0.50 0.00 O ATOM 304 O BARG A 14 -3.479 3.348 -5.237 0.50 0.00 O ATOM 305 CB AARG A 14 -5.957 5.777 -5.765 0.50 0.00 C ATOM 306 CB BARG A 14 -5.140 5.997 -5.934 0.50 0.00 C ATOM 307 CG AARG A 14 -7.225 6.611 -5.735 0.50 0.00 C ATOM 308 CG BARG A 14 -6.414 6.646 -5.422 0.50 0.00 C ATOM 309 CD AARG A 14 -7.105 7.842 -6.622 0.50 0.00 C ATOM 310 CD BARG A 14 -6.674 7.981 -6.103 0.50 0.00 C ATOM 311 NE AARG A 14 -8.263 8.722 -6.497 0.50 0.00 N ATOM 312 NE BARG A 14 -6.770 7.846 -7.556 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.609 9.618 -7.417 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.386 8.727 -8.336 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.887 9.749 -8.522 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.956 9.802 -7.807 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.676 10.381 -7.233 0.50 0.00 N ATOM 318 NH2BARG A 14 -7.431 8.534 -9.648 0.50 0.00 N ATOM 0 H AARG A 14 -6.818 3.771 -4.220 0.50 0.00 H new ATOM 0 H BARG A 14 -5.843 3.796 -4.386 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.655 4.273 -7.133 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.730 4.423 -7.277 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.483 5.816 -4.784 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.360 6.103 -5.180 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.258 6.220 -6.474 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.801 6.533 -6.821 0.50 0.00 H new ATOM 0 HG2AARG A 14 -8.068 6.004 -6.065 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.258 5.978 -5.594 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.435 6.919 -4.711 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.340 6.795 -4.345 0.50 0.00 H new ATOM 0 HD2AARG A 14 -6.202 8.392 -6.358 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.598 8.411 -5.717 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.997 7.531 -7.661 0.50 0.00 H new ATOM 0 HD3BARG A 14 -5.872 8.676 -5.856 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.838 8.646 -5.658 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.341 7.031 -7.994 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.065 9.162 -8.667 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.922 9.954 -6.799 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.153 10.437 -9.227 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.428 10.477 -8.408 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.234 10.282 -6.385 0.50 0.00 H new ATOM 0 HH21BARG A 14 -6.993 7.709 -10.057 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.940 11.068 -7.940 0.50 0.00 H new ATOM 0 HH22BARG A 14 -7.904 9.211 -10.247 0.50 0.00 H new ATOM 345 N AMET A 15 -4.050 3.899 -7.203 0.50 0.00 N ATOM 346 N BMET A 15 -3.295 3.793 -7.435 0.50 0.00 N ATOM 347 CA AMET A 15 -2.747 3.262 -7.368 0.50 0.00 C ATOM 348 CA BMET A 15 -1.984 3.167 -7.565 0.50 0.00 C ATOM 349 C AMET A 15 -1.644 4.307 -7.502 0.50 0.00 C ATOM 350 C BMET A 15 -0.964 4.152 -8.125 0.50 0.00 C ATOM 351 O AMET A 15 -1.863 5.387 -8.051 0.50 0.00 O ATOM 352 O BMET A 15 -1.150 4.699 -9.213 0.50 0.00 O ATOM 353 CB AMET A 15 -2.754 2.350 -8.596 0.50 0.00 C ATOM 354 CB BMET A 15 -2.071 1.935 -8.466 0.50 0.00 C ATOM 355 CG AMET A 15 -1.858 1.129 -8.453 0.50 0.00 C ATOM 356 CG BMET A 15 -1.132 0.811 -8.051 0.50 0.00 C ATOM 357 SD AMET A 15 -0.405 1.207 -9.515 0.50 0.00 S ATOM 358 SD BMET A 15 -1.899 -0.816 -8.174 0.50 0.00 S ATOM 359 CE AMET A 15 -0.223 -0.514 -9.967 0.50 0.00 C ATOM 360 CE BMET A 15 -1.265 -1.371 -9.752 0.50 0.00 C ATOM 0 H AMET A 15 -4.270 4.600 -7.910 0.50 0.00 H new ATOM 0 H BMET A 15 -3.661 4.188 -8.301 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.548 2.662 -6.480 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.656 2.859 -6.572 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.775 2.020 -8.788 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.095 1.562 -8.461 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.436 2.924 -9.466 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.844 2.228 -9.491 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.540 1.036 -7.415 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.241 0.837 -8.679 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.431 0.233 -8.692 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.804 0.977 -7.025 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.638 -0.628 -10.626 0.50 0.00 H new ATOM 0 HE1BMET A 15 -1.651 -2.367 -9.970 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.074 -1.112 -9.068 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.581 -0.680 -10.534 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.122 -0.852 -10.483 0.50 0.00 H new ATOM 0 HE3BMET A 15 -0.176 -1.404 -9.715 0.50 0.00 H new ATOM 379 N ASER A 16 -0.460 3.978 -6.997 0.50 0.00 N ATOM 380 N BSER A 16 0.112 4.373 -7.378 0.50 0.00 N ATOM 381 CA ASER A 16 0.677 4.890 -7.059 0.50 0.00 C ATOM 382 CA BSER A 16 1.160 5.295 -7.801 0.50 0.00 C ATOM 383 C ASER A 16 1.783 4.323 -7.942 0.50 0.00 C ATOM 384 C BSER A 16 1.800 4.830 -9.104 0.50 0.00 C ATOM 385 O ASER A 16 2.372 3.288 -7.629 0.50 0.00 O ATOM 386 O BSER A 16 1.719 3.655 -9.464 0.50 0.00 O ATOM 387 CB ASER A 16 1.219 5.159 -5.654 0.50 0.00 C ATOM 388 CB BSER A 16 2.227 5.421 -6.711 0.50 0.00 C ATOM 389 OG ASER A 16 0.757 6.404 -5.157 0.50 0.00 O ATOM 390 OG BSER A 16 1.940 6.503 -5.839 0.50 0.00 O ATOM 0 H ASER A 16 -0.262 3.088 -6.541 0.50 0.00 H new ATOM 0 H BSER A 16 0.282 3.927 -6.477 0.50 0.00 H new ATOM 0 HA ASER A 16 0.334 5.828 -7.495 0.50 0.00 H new ATOM 0 HA BSER A 16 0.705 6.271 -7.969 0.50 0.00 H new ATOM 0 HB2ASER A 16 0.909 4.358 -4.982 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.280 4.494 -6.140 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.309 5.154 -5.674 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.205 5.569 -7.170 0.50 0.00 H new ATOM 0 HG ASER A 16 -0.036 6.260 -4.599 0.50 0.00 H new ATOM 0 HG BSER A 16 2.635 6.562 -5.151 0.50 0.00 H new ATOM 401 N AARG A 17 2.060 5.006 -9.047 0.50 0.00 N ATOM 402 N BARG A 17 2.438 5.760 -9.809 0.50 0.00 N ATOM 403 CA AARG A 17 3.093 4.572 -9.977 0.50 0.00 C ATOM 404 CA BARG A 17 3.092 5.447 -11.072 0.50 0.00 C ATOM 405 C AARG A 17 4.482 4.753 -9.371 0.50 0.00 C ATOM 406 C BARG A 17 4.608 5.393 -10.902 0.50 0.00 C ATOM 407 O AARG A 17 4.628 5.317 -8.289 0.50 0.00 O ATOM 408 O BARG A 17 5.356 5.836 -11.772 0.50 0.00 O ATOM 409 CB AARG A 17 2.992 5.353 -11.289 0.50 0.00 C ATOM 410 CB BARG A 17 2.724 6.487 -12.133 0.50 0.00 C ATOM 411 CG AARG A 17 3.514 6.777 -11.190 0.50 0.00 C ATOM 412 CG BARG A 17 1.226 6.643 -12.339 0.50 0.00 C ATOM 413 CD AARG A 17 2.513 7.776 -11.750 0.50 0.00 C ATOM 414 CD BARG A 17 0.861 8.073 -12.703 0.50 0.00 C ATOM 415 NE AARG A 17 1.209 7.666 -11.101 0.50 0.00 N ATOM 416 NE BARG A 17 1.265 9.023 -11.669 0.50 0.00 N ATOM 417 CZ AARG A 17 0.928 8.202 -9.919 0.50 0.00 C ATOM 418 CZ BARG A 17 0.594 9.207 -10.538 0.50 0.00 C ATOM 419 NH1AARG A 17 1.857 8.882 -9.259 0.50 0.00 N ATOM 420 NH1BARG A 17 -0.509 8.510 -10.296 0.50 0.00 N ATOM 421 NH2AARG A 17 -0.280 8.058 -9.393 0.50 0.00 N ATOM 422 NH2BARG A 17 1.024 10.089 -9.646 0.50 0.00 N ATOM 0 H AARG A 17 1.582 5.864 -9.320 0.50 0.00 H new ATOM 0 H BARG A 17 2.515 6.737 -9.525 0.50 0.00 H new ATOM 0 HA AARG A 17 2.939 3.512 -10.181 0.50 0.00 H new ATOM 0 HA BARG A 17 2.745 4.466 -11.398 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.549 4.823 -12.062 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.145 7.451 -11.846 0.50 0.00 H new ATOM 0 HB3AARG A 17 1.950 5.378 -11.608 0.50 0.00 H new ATOM 0 HB3BARG A 17 3.185 6.206 -13.080 0.50 0.00 H new ATOM 0 HG2AARG A 17 3.725 7.017 -10.148 0.50 0.00 H new ATOM 0 HG2BARG A 17 0.894 5.969 -13.129 0.50 0.00 H new ATOM 0 HG3AARG A 17 4.455 6.860 -11.733 0.50 0.00 H new ATOM 0 HG3BARG A 17 0.700 6.352 -11.430 0.50 0.00 H new ATOM 0 HD2AARG A 17 2.899 8.787 -11.620 0.50 0.00 H new ATOM 0 HD2BARG A 17 1.338 8.340 -13.646 0.50 0.00 H new ATOM 0 HD3AARG A 17 2.399 7.613 -12.822 0.50 0.00 H new ATOM 0 HD3BARG A 17 -0.215 8.144 -12.859 0.50 0.00 H new ATOM 0 HE AARG A 17 0.473 7.149 -11.582 0.50 0.00 H new ATOM 0 HE BARG A 17 2.109 9.575 -11.824 0.50 0.00 H new ATOM 0 HH11AARG A 17 2.788 8.994 -9.660 0.50 0.00 H new ATOM 0 HH11BARG A 17 -0.843 7.831 -10.980 0.50 0.00 H new ATOM 0 HH12AARG A 17 1.640 9.293 -8.351 0.50 0.00 H new ATOM 0 HH12BARG A 17 -1.022 8.653 -9.426 0.50 0.00 H new ATOM 0 HH21AARG A 17 -0.996 7.534 -9.896 0.50 0.00 H new ATOM 0 HH21BARG A 17 1.871 10.627 -9.828 0.50 0.00 H new ATOM 0 HH22AARG A 17 -0.493 8.471 -8.485 0.50 0.00 H new ATOM 0 HH22BARG A 17 0.508 10.229 -8.778 0.50 0.00 H new ATOM 449 N AASN A 18 5.498 4.269 -10.077 0.50 0.00 N ATOM 450 N BASN A 18 5.052 4.847 -9.775 0.50 0.00 N ATOM 451 CA AASN A 18 6.875 4.376 -9.609 0.50 0.00 C ATOM 452 CA BASN A 18 6.477 4.736 -9.489 0.50 0.00 C ATOM 453 C AASN A 18 7.101 3.495 -8.382 0.50 0.00 C ATOM 454 C BASN A 18 6.763 3.527 -8.602 0.50 0.00 C ATOM 455 O AASN A 18 7.712 2.431 -8.475 0.50 0.00 O ATOM 456 O BASN A 18 7.731 2.801 -8.820 0.50 0.00 O ATOM 457 CB AASN A 18 7.209 5.831 -9.274 0.50 0.00 C ATOM 458 CB BASN A 18 6.984 6.011 -8.811 0.50 0.00 C ATOM 459 CG AASN A 18 8.249 6.415 -10.212 0.50 0.00 C ATOM 460 CG BASN A 18 7.746 6.911 -9.767 0.50 0.00 C ATOM 461 OD1AASN A 18 9.113 5.700 -10.722 0.50 0.00 O ATOM 462 OD1BASN A 18 8.636 6.457 -10.487 0.50 0.00 O ATOM 463 ND2AASN A 18 8.170 7.720 -10.444 0.50 0.00 N ATOM 464 ND2BASN A 18 7.398 8.192 -9.778 0.50 0.00 N ATOM 0 H AASN A 18 5.394 3.798 -10.976 0.50 0.00 H new ATOM 0 H BASN A 18 4.445 4.474 -9.045 0.50 0.00 H new ATOM 0 HA AASN A 18 7.533 4.034 -10.408 0.50 0.00 H new ATOM 0 HA BASN A 18 7.002 4.602 -10.435 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.300 6.431 -9.324 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.138 6.559 -8.396 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.574 5.891 -8.249 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.631 5.743 -7.976 0.50 0.00 H new ATOM 0 HD21AASN A 18 8.842 8.169 -11.066 0.50 0.00 H new ATOM 0 HD21BASN A 18 7.874 8.845 -10.401 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.437 8.274 -10.000 0.50 0.00 H new ATOM 0 HD22BASN A 18 6.654 8.524 -9.164 0.50 0.00 H new ATOM 477 N ASER A 19 6.606 3.947 -7.236 0.50 0.00 N ATOM 478 N BSER A 19 5.912 3.321 -7.603 0.50 0.00 N ATOM 479 CA ASER A 19 6.758 3.204 -5.991 0.50 0.00 C ATOM 480 CA BSER A 19 6.073 2.202 -6.680 0.50 0.00 C ATOM 481 C ASER A 19 6.192 1.793 -6.128 0.50 0.00 C ATOM 482 C BSER A 19 4.926 1.207 -6.827 0.50 0.00 C ATOM 483 O ASER A 19 6.695 0.848 -5.521 0.50 0.00 O ATOM 484 O BSER A 19 5.032 0.055 -6.409 0.50 0.00 O ATOM 485 CB ASER A 19 6.055 3.936 -4.846 0.50 0.00 C ATOM 486 CB BSER A 19 6.141 2.709 -5.238 0.50 0.00 C ATOM 487 OG ASER A 19 6.985 4.359 -3.864 0.50 0.00 O ATOM 488 OG BSER A 19 4.918 3.306 -4.849 0.50 0.00 O ATOM 0 H ASER A 19 6.096 4.825 -7.143 0.50 0.00 H new ATOM 0 H BSER A 19 5.104 3.913 -7.411 0.50 0.00 H new ATOM 0 HA ASER A 19 7.823 3.131 -5.768 0.50 0.00 H new ATOM 0 HA BSER A 19 7.006 1.693 -6.924 0.50 0.00 H new ATOM 0 HB2ASER A 19 5.517 4.799 -5.238 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.374 1.881 -4.569 0.50 0.00 H new ATOM 0 HB3ASER A 19 5.314 3.279 -4.391 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.950 3.434 -5.142 0.50 0.00 H new ATOM 0 HG ASER A 19 6.540 4.959 -3.229 0.50 0.00 H new ATOM 0 HG BSER A 19 5.075 4.241 -4.601 0.50 0.00 H new ATOM 499 N AGLY A 20 5.143 1.659 -6.934 0.50 0.00 N ATOM 500 N BGLY A 20 3.829 1.662 -7.425 0.50 0.00 N ATOM 501 CA AGLY A 20 4.525 0.361 -7.140 0.50 0.00 C ATOM 502 CA BGLY A 20 2.677 0.799 -7.617 0.50 0.00 C ATOM 503 C AGLY A 20 3.839 -0.157 -5.892 0.50 0.00 C ATOM 504 C BGLY A 20 2.106 0.296 -6.307 0.50 0.00 C ATOM 505 O AGLY A 20 4.143 -1.251 -5.415 0.50 0.00 O ATOM 506 O BGLY A 20 1.451 -0.745 -6.269 0.50 0.00 O ATOM 0 H AGLY A 20 4.710 2.426 -7.448 0.50 0.00 H new ATOM 0 H BGLY A 20 3.717 2.612 -7.780 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.797 0.432 -7.948 0.50 0.00 H new ATOM 0 HA2BGLY A 20 1.905 1.344 -8.161 0.50 0.00 H new ATOM 0 HA3AGLY A 20 5.284 -0.354 -7.457 0.50 0.00 H new ATOM 0 HA3BGLY A 20 2.963 -0.052 -8.236 0.50 0.00 H new ATOM 513 N AARG A 21 2.910 0.630 -5.359 0.50 0.00 N ATOM 514 N BARG A 21 2.357 1.033 -5.230 0.50 0.00 N ATOM 515 CA AARG A 21 2.179 0.246 -4.158 0.50 0.00 C ATOM 516 CA BARG A 21 1.866 0.652 -3.913 0.50 0.00 C ATOM 517 C AARG A 21 0.718 0.680 -4.246 0.50 0.00 C ATOM 518 C BARG A 21 0.411 1.076 -3.731 0.50 0.00 C ATOM 519 O AARG A 21 0.334 1.417 -5.154 0.50 0.00 O ATOM 520 O BARG A 21 0.125 2.136 -3.176 0.50 0.00 O ATOM 521 CB AARG A 21 2.832 0.864 -2.920 0.50 0.00 C ATOM 522 CB BARG A 21 2.730 1.284 -2.820 0.50 0.00 C ATOM 523 CG AARG A 21 3.022 -0.119 -1.776 0.50 0.00 C ATOM 524 CG BARG A 21 3.930 0.438 -2.429 0.50 0.00 C ATOM 525 CD AARG A 21 4.472 -0.168 -1.320 0.50 0.00 C ATOM 526 CD BARG A 21 5.131 1.302 -2.076 0.50 0.00 C ATOM 527 NE AARG A 21 4.961 1.144 -0.909 0.50 0.00 N ATOM 528 NE BARG A 21 4.916 2.062 -0.847 0.50 0.00 N ATOM 529 CZ AARG A 21 5.780 1.886 -1.646 0.50 0.00 C ATOM 530 CZ BARG A 21 4.539 3.335 -0.826 0.50 0.00 C ATOM 531 NH1AARG A 21 6.200 1.445 -2.825 0.50 0.00 N ATOM 532 NH1BARG A 21 4.336 3.988 -1.961 0.50 0.00 N ATOM 533 NH2AARG A 21 6.183 3.071 -1.205 0.50 0.00 N ATOM 534 NH2BARG A 21 4.365 3.959 0.333 0.50 0.00 N ATOM 0 H AARG A 21 2.646 1.538 -5.741 0.50 0.00 H new ATOM 0 H BARG A 21 2.898 1.898 -5.245 0.50 0.00 H new ATOM 0 HA AARG A 21 2.212 -0.840 -4.075 0.50 0.00 H new ATOM 0 HA BARG A 21 1.924 -0.433 -3.832 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.802 1.276 -3.199 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.079 2.258 -3.162 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.220 1.697 -2.574 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.115 1.458 -1.937 0.50 0.00 H new ATOM 0 HG2AARG A 21 2.385 0.168 -0.939 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.671 -0.191 -1.578 0.50 0.00 H new ATOM 0 HG3AARG A 21 2.705 -1.113 -2.092 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.190 -0.229 -3.251 0.50 0.00 H new ATOM 0 HD2AARG A 21 4.567 -0.867 -0.489 0.50 0.00 H new ATOM 0 HD2BARG A 21 6.011 0.670 -1.962 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.094 -0.549 -2.130 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.337 1.990 -2.896 0.50 0.00 H new ATOM 0 HE AARG A 21 4.658 1.511 -0.007 0.50 0.00 H new ATOM 0 HE BARG A 21 5.064 1.589 0.044 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.894 0.534 -3.167 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.469 3.513 -2.854 0.50 0.00 H new ATOM 0 HH12AARG A 21 6.829 2.017 -3.389 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.046 4.966 -1.942 0.50 0.00 H new ATOM 0 HH21AARG A 21 5.864 3.413 -0.299 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.521 3.460 1.209 0.50 0.00 H new ATOM 0 HH22AARG A 21 6.812 3.639 -1.772 0.50 0.00 H new ATOM 0 HH22BARG A 21 4.075 4.937 0.347 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.089 0.216 -3.298 0.50 0.00 N ATOM 562 N BVAL A 22 -0.507 0.238 -4.204 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.507 0.557 -3.269 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.933 0.523 -4.095 0.50 0.00 C ATOM 565 C AVAL A 22 -1.835 1.443 -2.073 0.50 0.00 C ATOM 566 C BVAL A 22 -2.312 0.883 -2.662 0.50 0.00 C ATOM 567 O AVAL A 22 -1.334 1.226 -0.970 0.50 0.00 O ATOM 568 O BVAL A 22 -1.799 0.301 -1.708 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.385 -0.707 -3.214 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.782 -0.676 -4.554 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.858 -0.331 -3.142 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.842 -1.736 -3.465 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.112 -1.598 -4.416 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.181 -0.219 -4.942 0.50 0.00 C ATOM 0 H AVAL A 22 0.214 -0.396 -2.541 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.288 -0.644 -4.667 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.722 1.101 -4.189 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.138 1.372 -4.747 0.50 0.00 H new ATOM 0 HB AVAL A 22 -2.132 -1.265 -2.312 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.311 -1.118 -5.432 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.463 -1.237 -3.104 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.446 -2.576 -3.808 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -4.038 0.264 -2.247 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.834 -2.083 -3.239 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.129 0.249 -4.024 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.289 -1.310 -2.567 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.741 -2.486 -4.361 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.768 -1.079 -5.264 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.336 -1.052 -5.332 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.663 0.248 -4.083 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -1.063 -1.895 -4.418 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.115 0.502 -5.757 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.679 2.444 -2.299 0.50 0.00 N ATOM 594 N BTYR A 23 -3.214 1.847 -2.519 0.50 0.00 N ATOM 595 CA ATYR A 23 -3.072 3.366 -1.240 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.662 2.288 -1.204 0.50 0.00 C ATOM 597 C ATYR A 23 -4.542 3.754 -1.375 0.50 0.00 C ATOM 598 C BTYR A 23 -5.121 2.731 -1.246 0.50 0.00 C ATOM 599 O ATYR A 23 -5.057 3.904 -2.484 0.50 0.00 O ATOM 600 O BTYR A 23 -5.739 2.774 -2.309 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.197 4.620 -1.275 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.783 3.431 -0.699 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.485 5.527 -2.449 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.803 4.651 -1.594 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.398 6.569 -2.341 0.50 0.00 C ATOM 606 CD1BTYR A 23 -1.989 4.722 -2.720 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.844 5.342 -3.670 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.631 5.730 -1.316 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.666 7.400 -3.411 0.50 0.00 C ATOM 610 CE1BTYR A 23 -2.003 5.833 -3.541 0.50 0.00 C ATOM 611 CE2ATYR A 23 -2.104 6.170 -4.745 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.653 6.844 -2.133 0.50 0.00 C ATOM 613 CZ ATYR A 23 -3.014 7.197 -4.611 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.836 6.891 -3.243 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.277 8.022 -5.681 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.853 7.999 -4.057 0.50 0.00 O ATOM 0 H ATYR A 23 -3.104 2.637 -3.206 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.650 2.339 -3.299 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.933 2.862 -0.284 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.578 1.445 -0.518 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.341 5.179 -0.351 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.113 3.718 0.300 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.149 4.321 -1.306 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.757 3.075 -0.606 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.908 6.732 -1.403 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.336 3.895 -2.956 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -1.131 4.538 -3.779 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.269 5.698 -0.445 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.381 8.203 -3.310 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.365 5.873 -4.412 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.597 6.014 -5.686 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.306 7.673 -1.904 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.735 7.745 -6.449 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.495 8.652 -3.707 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.210 3.917 -0.239 0.50 0.00 N ATOM 636 N BTYR A 24 -5.666 3.061 -0.080 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.621 4.287 -0.228 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.053 3.501 0.020 0.50 0.00 C ATOM 639 C ATYR A 24 -6.806 5.718 0.268 0.50 0.00 C ATOM 640 C BTYR A 24 -7.140 4.898 0.626 0.50 0.00 C ATOM 641 O ATYR A 24 -6.045 6.198 1.107 0.50 0.00 O ATOM 642 O BTYR A 24 -6.672 5.134 1.740 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.416 3.322 0.654 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.862 2.516 0.864 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.201 1.867 0.306 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.959 1.135 0.256 0.50 0.00 C ATOM 647 CD1ATYR A 24 -6.666 0.982 1.234 0.50 0.00 C ATOM 648 CD1BTYR A 24 -9.042 0.779 -0.540 0.50 0.00 C ATOM 649 CD2ATYR A 24 -7.531 1.376 -0.951 0.50 0.00 C ATOM 650 CD2BTYR A 24 -6.970 0.185 0.479 0.50 0.00 C ATOM 651 CE1ATYR A 24 -6.467 -0.348 0.921 0.50 0.00 C ATOM 652 CE1BTYR A 24 -9.136 -0.481 -1.096 0.50 0.00 C ATOM 653 CE2ATYR A 24 -7.338 0.048 -1.272 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.054 -1.078 -0.075 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.805 -0.812 -0.333 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.139 -1.407 -0.862 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.610 -2.137 -0.649 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.227 -2.664 -1.414 0.50 0.00 O ATOM 0 H ATYR A 24 -4.798 3.799 0.686 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.168 3.032 0.810 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.994 4.226 -1.250 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.470 3.535 -0.987 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.138 3.483 1.696 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.407 2.438 1.852 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.477 3.555 0.568 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.867 2.913 1.006 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -6.401 1.341 2.218 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.823 1.501 -0.727 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -7.946 2.046 -1.690 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.121 0.438 1.096 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -6.049 -1.022 1.654 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.985 -0.741 -1.711 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -7.603 -0.317 -2.253 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.275 -1.804 0.107 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.901 -2.300 -1.571 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.444 -3.192 -1.152 0.50 0.00 H new ATOM 677 N APHE A 25 -7.822 6.392 -0.258 0.50 0.00 N ATOM 678 N BPHE A 25 -7.741 5.822 -0.116 0.50 0.00 N ATOM 679 CA APHE A 25 -8.108 7.769 0.130 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.890 7.196 0.346 0.50 0.00 C ATOM 681 C APHE A 25 -9.610 7.987 0.291 0.50 0.00 C ATOM 682 C BPHE A 25 -9.360 7.603 0.377 0.50 0.00 C ATOM 683 O APHE A 25 -10.371 7.866 -0.668 0.50 0.00 O ATOM 684 O BPHE A 25 -10.091 7.401 -0.591 0.50 0.00 O ATOM 685 CB APHE A 25 -7.547 8.742 -0.909 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.103 8.149 -0.557 0.50 0.00 C ATOM 687 CG APHE A 25 -7.042 10.026 -0.317 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.336 9.600 -0.246 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.916 11.059 -0.021 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.118 10.383 -1.080 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.693 10.201 -0.057 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.775 10.180 0.880 0.50 0.00 C ATOM 693 CE1APHE A 25 -7.455 12.242 0.525 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.335 11.718 -0.796 0.50 0.00 C ATOM 695 CE2APHE A 25 -5.225 11.381 0.488 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.989 11.513 1.168 0.50 0.00 C ATOM 697 CZ APHE A 25 -6.107 12.404 0.780 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.768 12.284 0.329 0.50 0.00 C ATOM 0 H APHE A 25 -8.461 6.008 -0.954 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.133 5.643 -1.041 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.626 7.958 1.089 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.493 7.257 1.359 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.734 8.256 -1.449 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.039 7.932 -0.461 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.324 8.969 -1.639 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.375 7.960 -1.596 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.971 10.939 -0.219 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.563 9.945 -1.961 0.50 0.00 H new ATOM 0 HD2APHE A 25 -4.999 9.405 -0.283 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -6.163 9.583 1.540 0.50 0.00 H new ATOM 0 HE1APHE A 25 -8.148 13.039 0.752 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -8.947 12.318 -1.453 0.50 0.00 H new ATOM 0 HE2APHE A 25 -4.170 11.504 0.686 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.547 11.953 2.050 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.744 13.327 1.206 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -7.934 13.328 0.552 0.50 0.00 H new ATOM 717 N AASN A 26 -10.028 8.312 1.509 0.50 0.00 N ATOM 718 N BASN A 26 -9.786 8.180 1.496 0.50 0.00 N ATOM 719 CA AASN A 26 -11.439 8.548 1.797 0.50 0.00 C ATOM 720 CA BASN A 26 -11.168 8.617 1.654 0.50 0.00 C ATOM 721 C AASN A 26 -11.791 10.022 1.619 0.50 0.00 C ATOM 722 C BASN A 26 -11.237 10.116 1.928 0.50 0.00 C ATOM 723 O AASN A 26 -11.129 10.900 2.172 0.50 0.00 O ATOM 724 O BASN A 26 -10.625 10.614 2.872 0.50 0.00 O ATOM 725 CB AASN A 26 -11.773 8.099 3.220 0.50 0.00 C ATOM 726 CB BASN A 26 -11.840 7.846 2.792 0.50 0.00 C ATOM 727 CG AASN A 26 -13.267 8.012 3.464 0.50 0.00 C ATOM 728 CG BASN A 26 -13.246 8.342 3.075 0.50 0.00 C ATOM 729 OD1AASN A 26 -14.064 8.569 2.709 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.613 8.582 4.225 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.654 7.312 4.523 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.040 8.495 2.022 0.50 0.00 N ATOM 0 H AASN A 26 -9.410 8.418 2.314 0.50 0.00 H new ATOM 0 H BASN A 26 -9.193 8.356 2.307 0.50 0.00 H new ATOM 0 HA AASN A 26 -12.031 7.964 1.092 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.697 8.413 0.723 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.320 7.125 3.406 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.876 6.787 2.538 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.332 8.797 3.931 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.237 7.937 3.695 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.647 7.219 4.738 0.50 0.00 H new ATOM 0 HD21BASN A 26 -14.997 8.824 2.149 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.959 6.867 5.122 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.693 8.284 1.086 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.840 10.283 0.845 0.50 0.00 N ATOM 746 N BHIS A 27 -11.990 10.829 1.096 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.283 11.651 0.597 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.143 12.272 1.249 0.50 0.00 C ATOM 749 C AHIS A 27 -14.172 12.150 1.730 0.50 0.00 C ATOM 750 C BHIS A 27 -13.057 12.600 2.426 0.50 0.00 C ATOM 751 O AHIS A 27 -14.582 13.311 1.745 0.50 0.00 O ATOM 752 O BHIS A 27 -13.007 13.701 2.973 0.50 0.00 O ATOM 753 CB AHIS A 27 -14.034 11.732 -0.733 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.704 12.886 -0.035 0.50 0.00 C ATOM 755 CG AHIS A 27 -13.598 10.705 -1.732 0.50 0.00 C ATOM 756 CG BHIS A 27 -13.869 12.132 -0.597 0.50 0.00 C ATOM 757 ND1AHIS A 27 -14.484 9.955 -2.477 0.50 0.00 N ATOM 758 ND1BHIS A 27 -13.729 11.067 -1.464 0.50 0.00 N ATOM 759 CD2AHIS A 27 -12.360 10.308 -2.110 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.201 12.293 -0.415 0.50 0.00 C ATOM 761 CE1AHIS A 27 -13.811 9.141 -3.268 0.50 0.00 C ATOM 762 CE1BHIS A 27 -14.924 10.608 -1.791 0.50 0.00 C ATOM 763 NE2AHIS A 27 -12.520 9.334 -3.065 0.50 0.00 N ATOM 764 NE2BHIS A 27 -15.833 11.336 -1.167 0.50 0.00 N ATOM 0 H AHIS A 27 -13.398 9.567 0.380 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.503 10.431 0.309 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.401 12.289 0.547 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.159 12.698 1.446 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -15.101 11.614 -0.546 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.009 13.913 0.166 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.893 12.725 -1.160 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -11.913 12.928 -0.784 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -11.422 10.686 -1.731 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -15.677 13.037 0.207 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -14.242 8.436 -3.964 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -15.124 9.780 -2.455 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -11.765 8.840 -3.540 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -16.843 11.207 -1.234 0.50 0.00 H new ATOM 779 N AILE A 28 -14.466 11.265 2.675 0.50 0.00 N ATOM 780 N BILE A 28 -13.890 11.639 2.808 0.50 0.00 N ATOM 781 CA AILE A 28 -15.307 11.616 3.815 0.50 0.00 C ATOM 782 CA BILE A 28 -14.813 11.826 3.920 0.50 0.00 C ATOM 783 C AILE A 28 -14.465 11.885 5.058 0.50 0.00 C ATOM 784 C BILE A 28 -14.078 11.807 5.254 0.50 0.00 C ATOM 785 O AILE A 28 -14.704 12.849 5.785 0.50 0.00 O ATOM 786 O BILE A 28 -14.443 12.524 6.188 0.50 0.00 O ATOM 787 CB AILE A 28 -16.325 10.504 4.128 0.50 0.00 C ATOM 788 CB BILE A 28 -15.907 10.740 3.933 0.50 0.00 C ATOM 789 CG1AILE A 28 -17.085 10.108 2.860 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.888 10.958 2.779 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.290 10.958 5.212 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.640 10.742 5.266 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.393 9.398 3.138 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.041 9.982 2.773 0.50 0.00 C ATOM 0 H AILE A 28 -14.135 10.300 2.675 0.50 0.00 H new ATOM 0 H BILE A 28 -13.945 10.722 2.364 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.846 12.523 3.541 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.281 12.800 3.780 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.786 9.630 4.494 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.433 9.767 3.803 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.284 11.003 2.271 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.282 11.973 2.835 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.451 9.461 2.253 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.349 10.877 1.835 0.50 0.00 H new ATOM 0 HG21AILE A 28 -18.003 10.161 5.422 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.409 9.970 5.259 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.733 11.195 6.119 0.50 0.00 H new ATOM 0 HG22BILE A 28 -15.932 10.542 6.071 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.826 11.845 4.874 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.104 11.715 5.424 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.878 9.147 2.195 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.695 10.197 1.928 0.50 0.00 H new ATOM 0 HD12AILE A 28 -18.199 8.485 3.701 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.657 8.966 2.686 0.50 0.00 H new ATOM 0 HD13AILE A 28 -19.045 10.051 3.719 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.604 10.079 3.701 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.479 11.027 5.295 0.50 0.00 N ATOM 818 N BTHR A 29 -13.039 10.983 5.341 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.600 11.170 6.449 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.250 10.870 6.561 0.50 0.00 C ATOM 821 C ATHR A 29 -11.271 11.802 6.053 0.50 0.00 C ATOM 822 C BTHR A 29 -11.038 11.793 6.521 0.50 0.00 C ATOM 823 O ATHR A 29 -10.592 12.412 6.878 0.50 0.00 O ATOM 824 O BTHR A 29 -10.493 12.163 7.558 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.329 9.813 7.121 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.774 9.423 6.790 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.736 8.909 6.182 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.008 8.976 5.666 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.617 9.211 7.665 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.955 8.492 7.010 0.50 0.00 C ATOM 0 H ATHR A 29 -13.268 10.224 4.702 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.724 10.383 4.579 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.113 11.821 7.157 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.899 11.165 7.385 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.642 9.976 7.951 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.150 9.406 7.684 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.566 8.049 6.619 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.576 8.123 5.883 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.400 8.252 8.135 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.593 7.476 7.169 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.052 9.887 8.402 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.517 8.818 7.885 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.323 9.063 6.848 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.603 8.513 6.134 0.50 0.00 H new ATOM 845 N AASN A 30 -10.906 11.654 4.784 0.50 0.00 N ATOM 846 N BASN A 30 -10.622 12.162 5.312 0.50 0.00 N ATOM 847 CA AASN A 30 -9.657 12.211 4.278 0.50 0.00 C ATOM 848 CA BASN A 30 -9.473 13.042 5.138 0.50 0.00 C ATOM 849 C AASN A 30 -8.455 11.487 4.876 0.50 0.00 C ATOM 850 C BASN A 30 -8.190 12.363 5.605 0.50 0.00 C ATOM 851 O AASN A 30 -7.369 12.053 4.989 0.50 0.00 O ATOM 852 O BASN A 30 -7.332 12.993 6.222 0.50 0.00 O ATOM 853 CB AASN A 30 -9.574 13.706 4.595 0.50 0.00 C ATOM 854 CB BASN A 30 -9.682 14.347 5.907 0.50 0.00 C ATOM 855 CG AASN A 30 -8.866 14.489 3.510 0.50 0.00 C ATOM 856 CG BASN A 30 -9.171 15.556 5.146 0.50 0.00 C ATOM 857 OD1AASN A 30 -9.360 15.517 3.044 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.842 16.586 5.071 0.50 0.00 O ATOM 859 ND2AASN A 30 -7.698 14.009 3.099 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.977 15.435 4.577 0.50 0.00 N ATOM 0 H AASN A 30 -11.457 11.153 4.087 0.50 0.00 H new ATOM 0 H BASN A 30 -11.063 11.865 4.441 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.641 12.074 3.197 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.377 13.266 4.075 0.50 0.00 H new ATOM 0 HB2AASN A 30 -10.581 14.103 4.727 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.744 14.476 6.117 0.50 0.00 H new ATOM 0 HB3AASN A 30 -9.050 13.845 5.540 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.172 14.284 6.868 0.50 0.00 H new ATOM 0 HD21AASN A 30 -7.175 14.495 2.371 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.581 16.215 4.052 0.50 0.00 H new ATOM 0 HD22AASN A 30 -7.324 13.154 3.511 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.456 14.562 4.665 0.50 0.00 H new ATOM 873 N AALA A 31 -8.659 10.231 5.259 0.50 0.00 N ATOM 874 N BALA A 31 -8.065 11.074 5.306 0.50 0.00 N ATOM 875 CA AALA A 31 -7.594 9.426 5.843 0.50 0.00 C ATOM 876 CA BALA A 31 -6.887 10.309 5.693 0.50 0.00 C ATOM 877 C AALA A 31 -6.807 8.689 4.765 0.50 0.00 C ATOM 878 C BALA A 31 -6.685 9.109 4.774 0.50 0.00 C ATOM 879 O AALA A 31 -7.328 8.405 3.686 0.50 0.00 O ATOM 880 O BALA A 31 -7.646 8.451 4.375 0.50 0.00 O ATOM 881 CB AALA A 31 -8.168 8.437 6.847 0.50 0.00 C ATOM 882 CB BALA A 31 -7.005 9.854 7.141 0.50 0.00 C ATOM 0 H AALA A 31 -9.554 9.749 5.175 0.50 0.00 H new ATOM 0 H BALA A 31 -8.767 10.537 4.796 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.910 10.098 6.361 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.016 10.957 5.597 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.361 7.843 7.275 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.118 9.284 7.417 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.679 8.981 7.642 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.092 10.725 7.790 0.50 0.00 H new ATOM 0 HB3AALA A 31 -8.876 7.778 6.345 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.889 9.227 7.254 0.50 0.00 H new ATOM 893 N ASER A 32 -5.546 8.386 5.062 0.50 0.00 N ATOM 894 N BSER A 32 -5.428 8.830 4.441 0.50 0.00 N ATOM 895 CA ASER A 32 -4.687 7.686 4.114 0.50 0.00 C ATOM 896 CA BSER A 32 -5.100 7.711 3.566 0.50 0.00 C ATOM 897 C ASER A 32 -3.986 6.509 4.784 0.50 0.00 C ATOM 898 C BSER A 32 -4.560 6.532 4.369 0.50 0.00 C ATOM 899 O ASER A 32 -3.403 6.649 5.859 0.50 0.00 O ATOM 900 O BSER A 32 -4.111 6.693 5.504 0.50 0.00 O ATOM 901 CB ASER A 32 -3.647 8.647 3.532 0.50 0.00 C ATOM 902 CB BSER A 32 -4.072 8.141 2.518 0.50 0.00 C ATOM 903 OG ASER A 32 -2.400 8.507 4.187 0.50 0.00 O ATOM 904 OG BSER A 32 -3.589 9.447 2.783 0.50 0.00 O ATOM 0 H ASER A 32 -5.098 8.614 5.950 0.50 0.00 H new ATOM 0 H BSER A 32 -4.621 9.364 4.764 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.313 7.304 3.307 0.50 0.00 H new ATOM 0 HA BSER A 32 -6.014 7.396 3.062 0.50 0.00 H new ATOM 0 HB2ASER A 32 -3.525 8.454 2.466 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.240 7.437 2.510 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.000 9.673 3.631 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.524 8.111 1.527 0.50 0.00 H new ATOM 0 HG ASER A 32 -1.753 9.131 3.796 0.50 0.00 H new ATOM 0 HG BSER A 32 -3.016 9.429 3.578 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.049 5.347 4.142 0.50 0.00 N ATOM 916 N BGLN A 33 -4.611 5.345 3.773 0.50 0.00 N ATOM 917 CA AGLN A 33 -3.423 4.143 4.675 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.129 4.137 4.433 0.50 0.00 C ATOM 919 C AGLN A 33 -3.276 3.080 3.593 0.50 0.00 C ATOM 920 C BGLN A 33 -3.723 3.082 3.410 0.50 0.00 C ATOM 921 O AGLN A 33 -3.917 3.155 2.543 0.50 0.00 O ATOM 922 O BGLN A 33 -4.344 2.956 2.352 0.50 0.00 O ATOM 923 CB AGLN A 33 -4.242 3.590 5.842 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.205 3.575 5.363 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.516 2.883 5.410 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.651 2.999 6.657 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.266 2.268 6.575 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.724 2.791 7.707 0.50 0.00 C ATOM 929 OE1AGLN A 33 -5.666 1.674 7.470 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.863 3.586 8.638 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.588 2.406 6.567 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.490 1.714 7.566 0.50 0.00 N ATOM 0 H AGLN A 33 -4.528 5.214 3.251 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.981 5.194 2.835 0.50 0.00 H new ATOM 0 HA AGLN A 33 -2.429 4.410 5.033 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.251 4.401 5.022 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -3.625 2.894 6.410 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.916 4.366 5.602 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -4.501 4.409 6.514 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -5.758 2.797 4.837 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -6.166 3.593 4.899 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.163 2.047 6.447 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -5.268 2.103 4.690 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -3.887 3.669 7.051 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -8.044 2.907 5.804 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.341 1.081 6.780 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.147 2.011 7.324 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.227 1.520 8.244 0.50 0.00 H new ATOM 949 N APHE A 34 -2.429 2.088 3.853 0.50 0.00 N ATOM 950 N BPHE A 34 -2.677 2.328 3.728 0.50 0.00 N ATOM 951 CA APHE A 34 -2.198 1.010 2.900 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.185 1.285 2.835 0.50 0.00 C ATOM 953 C APHE A 34 -2.716 -0.318 3.445 0.50 0.00 C ATOM 954 C BPHE A 34 -3.051 0.032 2.935 0.50 0.00 C ATOM 955 O APHE A 34 -1.995 -1.314 3.468 0.50 0.00 O ATOM 956 O BPHE A 34 -3.306 -0.639 1.937 0.50 0.00 O ATOM 957 CB APHE A 34 -0.707 0.896 2.579 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.731 0.942 3.167 0.50 0.00 C ATOM 959 CG APHE A 34 0.020 2.209 2.633 0.50 0.00 C ATOM 960 CG BPHE A 34 0.230 2.059 2.876 0.50 0.00 C ATOM 961 CD1APHE A 34 -0.369 3.264 1.824 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.463 2.468 1.572 0.50 0.00 C ATOM 963 CD2APHE A 34 1.092 2.387 3.493 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.900 2.700 3.905 0.50 0.00 C ATOM 965 CE1APHE A 34 0.298 4.474 1.871 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.346 3.496 1.302 0.50 0.00 C ATOM 967 CE2APHE A 34 1.762 3.595 3.545 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.785 3.728 3.640 0.50 0.00 C ATOM 969 CZ APHE A 34 1.366 4.638 2.733 0.50 0.00 C ATOM 970 CZ BPHE A 34 2.009 4.125 2.336 0.50 0.00 C ATOM 0 H APHE A 34 -1.892 2.010 4.716 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.153 2.419 4.598 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.743 1.244 1.985 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.237 1.662 1.813 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.244 0.204 3.283 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.660 0.678 4.222 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.590 0.465 1.585 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.435 0.061 2.598 0.50 0.00 H new ATOM 0 HD1APHE A 34 -1.203 3.140 1.149 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.051 1.978 0.758 0.50 0.00 H new ATOM 0 HD2APHE A 34 1.407 1.573 4.129 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.729 2.393 4.926 0.50 0.00 H new ATOM 0 HE1APHE A 34 -0.015 5.289 1.236 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.517 3.807 0.282 0.50 0.00 H new ATOM 0 HE2APHE A 34 2.595 3.722 4.221 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.301 4.220 4.451 0.50 0.00 H new ATOM 0 HZ APHE A 34 1.890 5.582 2.771 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.702 4.926 2.126 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.970 -0.322 3.884 0.50 0.00 N ATOM 990 N BGLU A 35 -3.498 -0.276 4.148 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.585 -1.526 4.431 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.334 -1.449 4.379 0.50 0.00 C ATOM 993 C AGLU A 35 -6.086 -1.544 4.159 0.50 0.00 C ATOM 994 C BGLU A 35 -5.801 -1.133 4.105 0.50 0.00 C ATOM 995 O AGLU A 35 -6.729 -0.496 4.099 0.50 0.00 O ATOM 996 O BGLU A 35 -6.184 0.030 3.981 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.327 -1.618 5.936 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.168 -1.946 5.817 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.080 -2.411 6.294 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.717 -2.112 6.239 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.821 -1.570 6.248 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.110 -0.821 6.756 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -0.808 -2.047 5.695 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -0.884 -0.798 6.996 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -1.847 -0.433 6.764 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -2.858 0.164 6.919 0.50 0.00 O ATOM 0 H AGLU A 35 -4.581 0.495 3.872 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.296 0.270 4.986 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.135 -2.388 3.939 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.014 -2.233 3.692 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.236 -0.611 6.342 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.657 -1.245 6.494 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.190 -2.078 6.416 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.681 -2.902 5.924 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.196 -2.831 7.293 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.653 -2.876 7.014 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.977 -3.250 5.606 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.134 -2.469 5.390 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.638 -2.742 3.992 0.50 0.00 N ATOM 1020 N BARG A 36 -6.618 -2.177 4.011 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.062 -2.896 3.725 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.041 -2.013 3.750 0.50 0.00 C ATOM 1023 C AARG A 36 -8.893 -2.109 4.735 0.50 0.00 C ATOM 1024 C BARG A 36 -8.819 -1.857 5.054 0.50 0.00 C ATOM 1025 O AARG A 36 -8.991 -2.467 5.908 0.50 0.00 O ATOM 1026 O BARG A 36 -8.949 -2.792 5.845 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.454 -4.374 3.769 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.579 -3.211 2.963 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.812 -4.663 3.149 0.50 0.00 C ATOM 1030 CG BARG A 36 -10.016 -3.038 2.499 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.717 -4.797 1.638 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.765 -4.362 2.498 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.312 -6.043 1.159 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.061 -5.388 1.730 0.50 0.00 N ATOM 1035 CZ AARG A 36 -10.035 -6.583 -0.020 0.50 0.00 C ATOM 1036 CZ BARG A 36 -10.530 -6.616 1.544 0.50 0.00 C ATOM 1037 NH1AARG A 36 -9.176 -5.994 -0.839 0.50 0.00 N ATOM 1038 NH1BARG A 36 -11.697 -6.970 2.065 0.50 0.00 N ATOM 1039 NH2AARG A 36 -10.616 -7.720 -0.385 0.50 0.00 N ATOM 1040 NH2BARG A 36 -9.833 -7.493 0.834 0.50 0.00 N ATOM 0 H AARG A 36 -6.120 -3.619 4.037 0.50 0.00 H new ATOM 0 H BARG A 36 -6.317 -3.146 4.112 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.264 -2.503 2.729 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.174 -1.108 3.157 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.695 -4.958 3.249 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.943 -3.379 2.094 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.459 -4.709 4.806 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.512 -4.104 3.585 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.218 -5.582 3.572 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.527 -2.330 3.151 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.506 -3.862 3.401 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.027 -2.612 1.496 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.219 -3.952 1.167 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.898 -4.704 3.524 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.671 -4.756 1.336 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.761 -4.215 2.080 0.50 0.00 H new ATOM 0 HE AARG A 36 -10.977 -6.524 1.765 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.161 -5.147 1.315 0.50 0.00 H new ATOM 0 HH11AARG A 36 -8.725 -5.122 -0.564 0.50 0.00 H new ATOM 0 HH11BARG A 36 -12.237 -6.298 2.610 0.50 0.00 H new ATOM 0 HH12AARG A 36 -8.966 -6.413 -1.745 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.055 -7.914 1.920 0.50 0.00 H new ATOM 0 HH21AARG A 36 -11.277 -8.179 0.242 0.50 0.00 H new ATOM 0 HH21BARG A 36 -8.936 -7.224 0.430 0.50 0.00 H new ATOM 0 HH22AARG A 36 -10.402 -8.134 -1.292 0.50 0.00 H new ATOM 0 HH22BARG A 36 -10.194 -8.436 0.692 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.508 -1.011 4.268 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.351 -0.646 5.284 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.341 -0.152 5.112 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.124 -0.339 6.492 0.50 0.00 C ATOM 1071 C APRO A 37 -11.646 -0.828 5.519 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.475 -1.042 6.508 0.50 0.00 C ATOM 1073 O APRO A 37 -12.212 -1.615 4.759 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.095 -1.245 5.464 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.623 1.059 4.217 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.311 1.178 6.414 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.495 0.541 2.828 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.215 1.499 4.962 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.435 -0.526 2.879 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.236 0.513 4.385 0.50 0.00 C ATOM 0 HA APRO A 37 -9.847 0.099 6.050 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.619 -0.675 7.398 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.619 1.462 4.399 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.275 1.479 6.823 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.914 1.865 4.406 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.545 1.701 6.986 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.442 0.133 2.475 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.188 1.412 4.478 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.214 1.337 2.139 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.873 2.523 4.810 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.633 -1.324 2.163 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.488 0.251 3.357 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.449 -0.125 2.644 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.222 0.913 4.373 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.119 -0.516 6.721 0.50 0.00 N ATOM 1096 N BSER A 38 -11.929 -1.414 7.701 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.357 -1.096 7.230 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.207 -2.099 7.853 0.50 0.00 C ATOM 1099 C ASER A 38 -14.413 -0.018 7.447 0.50 0.00 C ATOM 1100 C BSER A 38 -14.370 -1.149 7.579 0.50 0.00 C ATOM 1101 O ASER A 38 -14.131 1.174 7.342 0.50 0.00 O ATOM 1102 O BSER A 38 -15.053 -1.263 6.562 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.094 -1.841 8.540 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.334 -2.683 9.262 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.222 -2.609 8.924 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.192 -1.672 10.246 0.50 0.00 O ATOM 0 H ASER A 38 -11.664 0.135 7.361 0.50 0.00 H new ATOM 0 H BSER A 38 -11.431 -1.252 8.576 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.731 -1.801 6.488 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.243 -2.910 7.126 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.228 -2.493 8.424 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.303 -3.169 9.372 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.852 -1.126 9.326 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.574 -3.450 9.411 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.029 -3.077 9.763 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.279 -2.069 11.138 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.635 -0.447 7.753 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.586 -0.210 8.494 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.716 0.495 7.981 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.665 0.748 8.333 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.101 0.590 9.445 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.879 0.401 9.174 0.50 0.00 C ATOM 1123 O AGLY A 39 -16.472 1.317 10.214 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.730 0.176 10.374 0.50 0.00 O ATOM 0 H AGLY A 39 -15.895 -1.429 7.847 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.034 -0.095 9.344 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.418 1.480 7.622 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.309 1.741 8.607 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.586 0.193 7.398 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -15.955 0.792 7.283 0.50 0.00 H new TER 1131 GLY A 39