USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=23 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= 0.88 K(o=-0.36,f=-15!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.237 K(o=-0.36,f=-10!) USER MOD Set 1.3: A 29 THR OG1B: rot 180:sc= -1 USER MOD Single : A 5 SER OG A: rot 180:sc= -0.02 USER MOD Single : A 5 SER OG B: rot 180:sc= 0 USER MOD Single : A 6 LYS NZ A:NH3+ 177:sc= 0 (180deg=-0.0114) USER MOD Single : A 6 LYS NZ B:NH3+ 155:sc=-0.00434 (180deg=-0.391) USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ -141:sc= -0.565 (180deg=-2.98!) USER MOD Single : A 15 MET CE A:methyl -151:sc= -0.32 (180deg=-1.62!) USER MOD Single : A 15 MET CE B:methyl -129:sc= 0 (180deg=-0.635) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 18 ASN B:FLIP amide:sc= -0.0255 F(o=-0.75,f=-0.025) USER MOD Single : A 19 SER OG A: rot 60:sc= 0.0174 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.112 USER MOD Single : A 23 TYR OH A: rot 80:sc= 1.29 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc=-0.00869 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A:FLIP no HD1:sc= -0.348 F(o=-1.7,f=-0.35) USER MOD Single : A 27 HIS B: no HD1:sc= -2.42 X(o=-2.4,f=-2.6) USER MOD Single : A 29 THR OG1A: rot 64:sc= 0.551 USER MOD Single : A 30 ASN A: amide:sc= 0.0018 X(o=0.0018,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.514 K(o=0.51,f=-0.044) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.0863 USER MOD Single : A 32 SER OG B: rot 180:sc= 0 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 33 GLN B: amide:sc= 1.01 K(o=1,f=-1.1) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.108 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.23 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.025 -4.248 -3.611 0.20 0.00 N ATOM 2 N BSER A 5 -12.708 -4.437 -4.179 0.80 0.00 N ATOM 3 CA ASER A 5 -13.190 -4.899 -4.200 0.20 0.00 C ATOM 4 CA BSER A 5 -13.940 -5.085 -4.616 0.80 0.00 C ATOM 5 C ASER A 5 -14.417 -4.728 -3.310 0.20 0.00 C ATOM 6 C BSER A 5 -15.076 -4.804 -3.637 0.80 0.00 C ATOM 7 O ASER A 5 -15.525 -4.501 -3.796 0.20 0.00 O ATOM 8 O BSER A 5 -16.032 -4.099 -3.963 0.80 0.00 O ATOM 9 CB ASER A 5 -12.911 -6.387 -4.424 0.20 0.00 C ATOM 10 CB BSER A 5 -13.729 -6.594 -4.749 0.80 0.00 C ATOM 11 OG ASER A 5 -14.062 -7.168 -4.154 0.20 0.00 O ATOM 12 OG BSER A 5 -14.734 -7.180 -5.559 0.80 0.00 O ATOM 0 HA ASER A 5 -13.392 -4.426 -5.161 0.20 0.00 H new ATOM 0 HA BSER A 5 -14.211 -4.677 -5.590 0.80 0.00 H new ATOM 0 HB2ASER A 5 -12.591 -6.549 -5.453 0.20 0.00 H new ATOM 0 HB2BSER A 5 -12.748 -6.790 -5.182 0.80 0.00 H new ATOM 0 HB3ASER A 5 -12.091 -6.707 -3.781 0.20 0.00 H new ATOM 0 HB3BSER A 5 -13.739 -7.054 -3.761 0.80 0.00 H new ATOM 0 HG ASER A 5 -13.858 -8.114 -4.306 0.20 0.00 H new ATOM 0 HG BSER A 5 -14.576 -8.145 -5.630 0.80 0.00 H new ATOM 23 N ALYS A 6 -14.210 -4.839 -2.002 0.20 0.00 N ATOM 24 N BLYS A 6 -14.965 -5.359 -2.436 0.80 0.00 N ATOM 25 CA ALYS A 6 -15.297 -4.696 -1.041 0.20 0.00 C ATOM 26 CA BLYS A 6 -15.981 -5.169 -1.407 0.80 0.00 C ATOM 27 C ALYS A 6 -14.943 -3.672 0.033 0.20 0.00 C ATOM 28 C BLYS A 6 -15.508 -4.174 -0.353 0.80 0.00 C ATOM 29 O ALYS A 6 -14.250 -3.988 1.001 0.20 0.00 O ATOM 30 O BLYS A 6 -15.604 -4.434 0.847 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.610 -6.046 -0.390 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.322 -6.506 -0.746 0.80 0.00 C ATOM 33 CG ALYS A 6 -16.251 -7.045 -1.339 0.20 0.00 C ATOM 34 CG BLYS A 6 -16.583 -7.627 -1.737 0.80 0.00 C ATOM 35 CD ALYS A 6 -16.130 -8.467 -0.816 0.20 0.00 C ATOM 36 CD BLYS A 6 -16.800 -8.956 -1.032 0.80 0.00 C ATOM 37 CE ALYS A 6 -17.038 -9.420 -1.579 0.20 0.00 C ATOM 38 CE BLYS A 6 -15.479 -9.657 -0.749 0.80 0.00 C ATOM 39 NZ ALYS A 6 -16.650 -9.526 -3.012 0.20 0.00 N ATOM 40 NZ BLYS A 6 -15.018 -9.429 0.647 0.80 0.00 N ATOM 0 H ALYS A 6 -13.299 -5.028 -1.583 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.181 -5.945 -2.150 0.80 0.00 H new ATOM 0 HA ALYS A 6 -16.179 -4.344 -1.577 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.875 -4.768 -1.884 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.688 -6.472 0.004 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -15.502 -6.797 -0.090 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -16.275 -5.885 0.459 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.203 -6.376 -0.117 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -17.303 -6.795 -1.476 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.460 -7.386 -2.338 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -15.777 -6.975 -2.318 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -15.740 -7.711 -2.423 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -15.096 -8.801 -0.902 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -17.333 -8.790 -0.096 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -16.385 -8.489 0.243 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -17.430 -9.598 -1.648 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -16.998 -10.407 -1.118 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -15.591 -10.727 -0.924 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -18.070 -9.075 -1.506 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -14.721 -9.298 -1.445 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -17.260 -10.222 -3.486 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -14.396 -10.209 0.939 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -16.761 -8.599 -3.471 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -14.495 -8.532 0.698 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -15.658 -9.830 -3.081 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -15.841 -9.386 1.282 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.424 -2.447 -0.144 0.20 0.00 N ATOM 68 N BLEU A 7 -15.000 -3.034 -0.807 0.80 0.00 N ATOM 69 CA ALEU A 7 -15.159 -1.376 0.812 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.513 -1.998 0.097 0.80 0.00 C ATOM 71 C ALEU A 7 -16.436 -0.608 1.134 0.20 0.00 C ATOM 72 C BLEU A 7 -15.672 -1.183 0.664 0.80 0.00 C ATOM 73 O ALEU A 7 -17.362 -0.525 0.327 0.20 0.00 O ATOM 74 O BLEU A 7 -16.740 -1.076 0.064 0.80 0.00 O ATOM 75 CB ALEU A 7 -14.101 -0.420 0.255 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.534 -1.075 -0.631 0.80 0.00 C ATOM 77 CG ALEU A 7 -13.153 -1.005 -0.791 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.049 -1.380 -0.429 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.285 0.088 -1.394 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.761 -2.846 -0.715 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.289 -2.097 -0.177 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.197 -0.484 -1.317 0.80 0.00 C ATOM 0 H ALEU A 7 -15.999 -2.170 -0.940 0.20 0.00 H new ATOM 0 H BLEU A 7 -14.914 -2.803 -1.797 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.785 -1.826 1.732 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.996 -2.485 0.923 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.610 0.438 -0.185 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.751 -1.117 -1.698 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.505 -0.045 1.087 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.722 -0.051 -0.307 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.750 -1.448 -1.588 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.793 -1.178 0.611 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.616 -0.347 -2.137 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.700 -3.044 -0.566 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.920 0.835 -1.870 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.345 -3.470 -0.039 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.696 0.560 -0.608 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.032 -3.076 -1.746 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.620 -2.502 -0.937 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.143 -0.714 -1.161 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.700 -1.679 0.639 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.455 -0.656 -2.362 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.927 -2.893 0.206 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.382 0.560 -1.065 0.80 0.00 H new ATOM 105 N APRO A 8 -16.488 -0.028 2.343 0.20 0.00 N ATOM 106 N BPRO A 8 -15.455 -0.591 1.849 0.80 0.00 N ATOM 107 CA APRO A 8 -17.645 0.748 2.800 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.467 0.227 2.523 0.80 0.00 C ATOM 109 C APRO A 8 -17.789 2.069 2.053 0.20 0.00 C ATOM 110 C BPRO A 8 -16.721 1.546 1.799 0.80 0.00 C ATOM 111 O APRO A 8 -16.939 2.451 1.249 0.20 0.00 O ATOM 112 O BPRO A 8 -15.926 1.990 0.970 0.80 0.00 O ATOM 113 CB APRO A 8 -17.342 1.000 4.279 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.857 0.483 3.901 0.80 0.00 C ATOM 115 CG APRO A 8 -15.856 0.929 4.378 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.388 0.362 3.694 0.80 0.00 C ATOM 117 CD APRO A 8 -15.422 -0.085 3.356 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.204 -0.675 2.621 0.80 0.00 C ATOM 0 HA APRO A 8 -18.583 0.221 2.627 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.436 -0.270 2.558 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.714 1.973 4.599 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.124 1.472 4.274 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.817 0.252 4.914 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.215 -0.241 4.633 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.405 1.901 4.180 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.957 1.316 3.392 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.545 0.632 5.380 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.888 0.063 4.615 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.450 0.164 2.931 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.334 -0.462 2.001 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.334 -1.081 3.791 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.058 -1.669 3.043 0.80 0.00 H new ATOM 133 N APRO A 9 -18.892 2.784 2.322 0.20 0.00 N ATOM 134 N BPRO A 9 -17.855 2.189 2.118 0.80 0.00 N ATOM 135 CA APRO A 9 -19.173 4.074 1.685 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.239 3.466 1.512 0.80 0.00 C ATOM 137 C APRO A 9 -18.226 5.172 2.158 0.20 0.00 C ATOM 138 C BPRO A 9 -17.343 4.615 1.964 0.80 0.00 C ATOM 139 O APRO A 9 -18.534 5.911 3.091 0.20 0.00 O ATOM 140 O BPRO A 9 -16.933 4.676 3.122 0.80 0.00 O ATOM 141 CB APRO A 9 -20.608 4.381 2.122 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.672 3.676 2.007 0.80 0.00 C ATOM 143 CG APRO A 9 -20.782 3.633 3.399 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.750 2.905 3.277 0.80 0.00 C ATOM 145 CD APRO A 9 -19.949 2.389 3.268 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.848 1.716 3.098 0.80 0.00 C ATOM 0 HA APRO A 9 -19.042 4.032 0.604 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.148 3.447 0.426 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.758 5.451 2.266 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.883 4.733 2.172 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.329 4.056 1.371 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.399 3.315 1.279 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.457 4.232 4.249 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.430 3.513 4.123 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.830 3.385 3.566 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.774 2.591 3.480 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.534 2.080 4.228 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.378 1.422 4.037 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.535 1.551 2.889 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.395 0.848 2.730 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.072 5.273 1.505 0.20 0.00 N ATOM 162 N BGLY A 10 -17.046 5.525 1.042 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.098 6.284 1.873 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.203 6.661 1.367 0.80 0.00 C ATOM 165 C AGLY A 10 -14.671 5.792 1.733 0.20 0.00 C ATOM 166 C BGLY A 10 -14.749 6.426 1.004 0.80 0.00 C ATOM 167 O AGLY A 10 -13.787 6.213 2.480 0.20 0.00 O ATOM 168 O BGLY A 10 -14.025 7.365 0.680 0.80 0.00 O ATOM 0 H AGLY A 10 -16.795 4.673 0.728 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.374 5.496 0.076 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.239 7.165 1.246 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.568 7.543 0.841 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.273 6.595 2.903 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.279 6.872 2.434 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.446 4.901 0.775 0.20 0.00 N ATOM 176 N BTRP A 11 -14.323 5.168 1.061 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.115 4.350 0.542 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.947 4.814 0.737 0.80 0.00 C ATOM 179 C ATRP A 11 -12.983 3.836 -0.888 0.20 0.00 C ATOM 180 C BTRP A 11 -12.797 4.516 -0.751 0.80 0.00 C ATOM 181 O ATRP A 11 -13.645 2.873 -1.273 0.20 0.00 O ATOM 182 O BTRP A 11 -13.720 4.004 -1.385 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.827 3.221 1.532 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.503 3.603 1.560 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.404 3.711 2.884 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.524 3.850 3.037 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.149 3.705 4.028 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.600 3.745 3.872 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.136 4.278 3.231 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.417 4.245 3.857 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.422 4.237 5.066 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.230 4.052 5.159 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.184 4.595 4.603 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.895 4.360 5.177 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.966 4.550 2.517 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.068 4.508 3.603 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.105 5.168 5.272 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.072 4.730 6.235 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.896 5.119 3.182 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.253 4.876 4.656 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.972 5.423 4.548 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.756 4.983 5.958 0.80 0.00 C ATOM 0 H ATRP A 11 -15.166 4.544 0.147 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.911 4.378 1.328 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.387 5.147 0.691 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.312 5.665 0.983 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.720 2.605 1.640 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.153 2.759 1.331 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -12.045 2.580 1.124 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.494 3.319 1.260 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.161 3.336 4.106 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.596 3.462 3.565 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.751 4.347 6.025 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.849 4.051 5.970 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.899 4.320 1.464 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.670 4.425 2.602 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.161 5.403 6.325 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.458 4.815 7.240 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.987 5.333 2.640 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.210 5.085 4.472 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.119 5.868 5.039 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.092 5.271 6.760 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.124 4.483 -1.669 0.20 0.00 N ATOM 224 N BGLU A 12 -11.631 4.836 -1.300 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.906 4.090 -3.055 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.362 4.602 -2.714 0.80 0.00 C ATOM 227 C AGLU A 12 -10.493 3.550 -3.253 0.20 0.00 C ATOM 228 C BGLU A 12 -9.997 3.947 -2.908 0.80 0.00 C ATOM 229 O AGLU A 12 -9.572 3.903 -2.515 0.20 0.00 O ATOM 230 O BGLU A 12 -9.040 4.258 -2.200 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.146 5.278 -3.990 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.424 5.918 -3.493 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.873 6.014 -4.377 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.265 5.838 -4.757 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.232 5.449 -5.628 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.074 4.533 -5.503 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.820 4.527 -6.233 0.20 0.00 O ATOM 238 OE1BGLU A 12 -10.989 4.341 -6.093 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.141 5.929 -6.005 0.20 0.00 O ATOM 240 OE2BGLU A 12 -13.006 3.703 -5.498 0.80 0.00 O ATOM 0 H AGLU A 12 -11.568 5.282 -1.365 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.857 5.258 -0.788 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.615 3.298 -3.296 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.127 3.926 -3.095 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.640 4.924 -4.895 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.830 6.695 -2.845 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.828 5.978 -3.507 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.411 6.221 -3.759 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.101 7.068 -4.534 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.317 5.953 -4.497 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.162 5.961 -3.553 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.007 6.669 -5.414 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.327 2.692 -4.253 0.20 0.00 N ATOM 254 N BLYS A 13 -9.916 3.037 -3.872 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.028 2.102 -4.550 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.671 2.337 -4.161 0.80 0.00 C ATOM 257 C ALYS A 13 -8.156 3.076 -5.339 0.20 0.00 C ATOM 258 C BLYS A 13 -7.848 3.095 -5.201 0.80 0.00 C ATOM 259 O ALYS A 13 -8.484 3.441 -6.468 0.20 0.00 O ATOM 260 O BLYS A 13 -8.308 3.326 -6.320 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.201 0.803 -5.338 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.961 0.919 -4.660 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.094 -0.209 -5.095 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.720 0.165 -5.106 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.516 -1.608 -5.512 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.077 -1.156 -5.765 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.506 -2.652 -5.062 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.209 -2.274 -4.743 0.80 0.00 C ATOM 269 NZ ALYS A 13 -6.244 -2.577 -5.849 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.932 -3.020 -4.568 0.80 0.00 N ATOM 0 H ALYS A 13 -11.078 2.389 -4.873 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.699 2.767 -4.467 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.533 1.881 -3.604 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.094 2.280 -3.238 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.158 0.353 -5.074 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.452 0.357 -3.866 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.241 1.036 -6.402 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.662 0.972 -5.493 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.203 0.084 -5.651 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.151 0.779 -5.804 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.825 -0.209 -4.039 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.076 -0.019 -4.246 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.492 -1.837 -5.085 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -9.014 -1.049 -6.311 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.625 -1.649 -6.596 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.311 -1.418 -6.495 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.284 -2.510 -4.004 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.519 -1.856 -3.785 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -7.940 -3.646 -5.166 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.992 -2.964 -5.058 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -5.581 -3.304 -5.512 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.135 -4.034 -4.460 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -6.452 -2.737 -6.855 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.328 -2.875 -5.402 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -5.816 -1.637 -5.730 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.440 -2.673 -3.720 0.80 0.00 H new ATOM 297 N AARG A 14 -7.045 3.489 -4.739 0.20 0.00 N ATOM 298 N BARG A 14 -6.634 3.476 -4.824 0.80 0.00 N ATOM 299 CA AARG A 14 -6.128 4.419 -5.385 0.20 0.00 C ATOM 300 CA BARG A 14 -5.749 4.207 -5.725 0.80 0.00 C ATOM 301 C AARG A 14 -4.782 3.755 -5.656 0.20 0.00 C ATOM 302 C BARG A 14 -4.400 3.506 -5.849 0.80 0.00 C ATOM 303 O AARG A 14 -4.424 2.769 -5.012 0.20 0.00 O ATOM 304 O BARG A 14 -4.087 2.597 -5.081 0.80 0.00 O ATOM 305 CB AARG A 14 -5.930 5.662 -4.516 0.20 0.00 C ATOM 306 CB BARG A 14 -5.547 5.638 -5.225 0.80 0.00 C ATOM 307 CG AARG A 14 -6.611 6.905 -5.066 0.20 0.00 C ATOM 308 CG BARG A 14 -6.844 6.409 -5.044 0.80 0.00 C ATOM 309 CD AARG A 14 -5.758 8.147 -4.852 0.20 0.00 C ATOM 310 CD BARG A 14 -7.008 7.482 -6.107 0.80 0.00 C ATOM 311 NE AARG A 14 -5.622 8.934 -6.075 0.20 0.00 N ATOM 312 NE BARG A 14 -5.886 8.417 -6.120 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.661 9.832 -6.267 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.581 9.188 -7.158 0.80 0.00 C ATOM 315 NH1AARG A 14 -3.758 10.054 -5.321 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.311 9.135 -8.263 0.80 0.00 N ATOM 317 NH2AARG A 14 -4.602 10.509 -7.406 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.545 10.014 -7.092 0.80 0.00 N ATOM 0 H AARG A 14 -6.758 3.194 -3.806 0.20 0.00 H new ATOM 0 H BARG A 14 -6.239 3.292 -3.902 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.565 4.717 -6.338 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.217 4.235 -6.709 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.314 5.460 -3.516 0.20 0.00 H new ATOM 0 HB2BARG A 14 -5.015 5.610 -4.274 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.863 5.858 -4.415 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.911 6.174 -5.930 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.805 6.774 -6.131 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.687 5.720 -5.088 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.577 7.037 -4.580 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.860 6.869 -4.056 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.204 8.764 -4.072 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.099 7.011 -7.086 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.770 7.852 -4.499 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.934 8.029 -5.929 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.301 8.787 -6.822 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.304 8.482 -5.285 0.80 0.00 H new ATOM 0 HH11AARG A 14 -3.800 9.535 -4.444 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.109 8.501 -8.317 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.022 10.744 -5.471 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.075 9.728 -9.059 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.295 10.341 -8.136 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.981 10.058 -6.243 0.80 0.00 H new ATOM 0 HH22AARG A 14 -3.864 11.198 -7.552 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.312 10.605 -7.890 0.80 0.00 H new ATOM 345 N AMET A 15 -4.038 4.301 -6.614 0.20 0.00 N ATOM 346 N BMET A 15 -3.603 3.935 -6.823 0.80 0.00 N ATOM 347 CA AMET A 15 -2.731 3.761 -6.968 0.20 0.00 C ATOM 348 CA BMET A 15 -2.287 3.347 -7.047 0.80 0.00 C ATOM 349 C AMET A 15 -1.636 4.802 -6.748 0.20 0.00 C ATOM 350 C BMET A 15 -1.226 4.434 -7.194 0.80 0.00 C ATOM 351 O AMET A 15 -1.918 5.954 -6.424 0.20 0.00 O ATOM 352 O BMET A 15 -1.409 5.398 -7.937 0.80 0.00 O ATOM 353 CB AMET A 15 -2.725 3.299 -8.427 0.20 0.00 C ATOM 354 CB BMET A 15 -2.305 2.464 -8.295 0.80 0.00 C ATOM 355 CG AMET A 15 -2.164 1.899 -8.618 0.20 0.00 C ATOM 356 CG BMET A 15 -0.927 1.981 -8.719 0.80 0.00 C ATOM 357 SD AMET A 15 -1.471 1.648 -10.263 0.20 0.00 S ATOM 358 SD BMET A 15 -0.909 0.235 -9.162 0.80 0.00 S ATOM 359 CE AMET A 15 0.217 1.207 -9.857 0.20 0.00 C ATOM 360 CE BMET A 15 0.693 0.104 -9.954 0.80 0.00 C ATOM 0 H AMET A 15 -4.319 5.117 -7.158 0.20 0.00 H new ATOM 0 H BMET A 15 -3.845 4.687 -7.469 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.531 2.906 -6.322 0.20 0.00 H new ATOM 0 HA BMET A 15 -2.038 2.734 -6.181 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.744 3.329 -8.814 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.942 1.600 -8.109 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.138 4.001 -9.020 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.755 3.021 -9.117 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.392 1.716 -7.871 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.585 2.571 -9.569 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.954 1.168 -8.445 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.220 2.153 -7.907 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.878 1.513 -10.668 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.580 -0.376 -10.926 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.513 1.711 -8.937 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.115 1.100 -10.088 0.80 0.00 H new ATOM 0 HE3AMET A 15 0.288 0.128 -9.719 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.360 -0.491 -9.330 0.80 0.00 H new ATOM 379 N ASER A 16 -0.387 4.382 -6.924 0.20 0.00 N ATOM 380 N BSER A 16 -0.116 4.270 -6.481 0.80 0.00 N ATOM 381 CA ASER A 16 0.751 5.276 -6.740 0.20 0.00 C ATOM 382 CA BSER A 16 0.973 5.239 -6.530 0.80 0.00 C ATOM 383 C ASER A 16 1.344 5.685 -8.085 0.20 0.00 C ATOM 384 C BSER A 16 1.490 5.405 -7.955 0.80 0.00 C ATOM 385 O ASER A 16 0.934 5.187 -9.132 0.20 0.00 O ATOM 386 O BSER A 16 1.125 4.644 -8.853 0.80 0.00 O ATOM 387 CB ASER A 16 1.821 4.602 -5.880 0.20 0.00 C ATOM 388 CB BSER A 16 2.115 4.802 -5.610 0.80 0.00 C ATOM 389 OG ASER A 16 2.330 5.497 -4.904 0.20 0.00 O ATOM 390 OG BSER A 16 2.717 5.918 -4.976 0.80 0.00 O ATOM 0 H ASER A 16 -0.138 3.430 -7.193 0.20 0.00 H new ATOM 0 H BSER A 16 0.053 3.476 -5.863 0.80 0.00 H new ATOM 0 HA ASER A 16 0.399 6.173 -6.231 0.20 0.00 H new ATOM 0 HA BSER A 16 0.586 6.199 -6.188 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.398 3.725 -5.389 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.735 4.113 -4.856 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.634 4.251 -6.515 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.864 4.260 -6.188 0.80 0.00 H new ATOM 0 HG ASER A 16 3.011 5.042 -4.366 0.20 0.00 H new ATOM 0 HG BSER A 16 3.442 5.611 -4.393 0.80 0.00 H new ATOM 401 N AARG A 17 2.313 6.593 -8.045 0.20 0.00 N ATOM 402 N BARG A 17 2.338 6.408 -8.159 0.80 0.00 N ATOM 403 CA AARG A 17 2.963 7.070 -9.260 0.20 0.00 C ATOM 404 CA BARG A 17 2.905 6.677 -9.474 0.80 0.00 C ATOM 405 C AARG A 17 4.465 6.805 -9.212 0.20 0.00 C ATOM 406 C BARG A 17 4.425 6.545 -9.449 0.80 0.00 C ATOM 407 O AARG A 17 5.090 6.532 -10.236 0.20 0.00 O ATOM 408 O BARG A 17 5.049 6.263 -10.472 0.80 0.00 O ATOM 409 CB AARG A 17 2.704 8.566 -9.449 0.20 0.00 C ATOM 410 CB BARG A 17 2.510 8.077 -9.946 0.80 0.00 C ATOM 411 CG AARG A 17 3.536 9.193 -10.556 0.20 0.00 C ATOM 412 CG BARG A 17 3.244 8.528 -11.199 0.80 0.00 C ATOM 413 CD AARG A 17 3.260 10.683 -10.684 0.20 0.00 C ATOM 414 CD BARG A 17 2.855 9.943 -11.595 0.80 0.00 C ATOM 415 NE AARG A 17 1.830 10.975 -10.696 0.20 0.00 N ATOM 416 NE BARG A 17 1.409 10.139 -11.575 0.80 0.00 N ATOM 417 CZ AARG A 17 1.324 12.184 -10.472 0.20 0.00 C ATOM 418 CZ BARG A 17 0.829 11.333 -11.553 0.80 0.00 C ATOM 419 NH1AARG A 17 2.130 13.206 -10.220 0.20 0.00 N ATOM 420 NH1BARG A 17 1.568 12.434 -11.545 0.80 0.00 N ATOM 421 NH2AARG A 17 0.012 12.370 -10.499 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.495 11.429 -11.537 0.80 0.00 N ATOM 0 H AARG A 17 2.665 7.013 -7.185 0.20 0.00 H new ATOM 0 H BARG A 17 2.648 7.049 -7.428 0.80 0.00 H new ATOM 0 HA AARG A 17 2.542 6.526 -10.105 0.20 0.00 H new ATOM 0 HA BARG A 17 2.506 5.940 -10.172 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.647 8.718 -9.670 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.437 8.097 -10.137 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.912 9.083 -8.512 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.705 8.790 -9.145 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.595 9.034 -10.351 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.320 8.480 -11.029 0.80 0.00 H new ATOM 0 HG3AARG A 17 3.317 8.699 -11.502 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.020 7.845 -12.019 0.80 0.00 H new ATOM 0 HD2AARG A 17 3.731 11.211 -9.855 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.326 10.652 -10.915 0.80 0.00 H new ATOM 0 HD3AARG A 17 3.714 11.058 -11.601 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.236 10.158 -12.593 0.80 0.00 H new ATOM 0 HE AARG A 17 1.183 10.210 -10.887 0.20 0.00 H new ATOM 0 HE BARG A 17 0.811 9.313 -11.578 0.80 0.00 H new ATOM 0 HH11AARG A 17 3.140 13.066 -10.198 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.586 12.365 -11.556 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.740 14.133 -10.048 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.119 13.350 -11.528 0.80 0.00 H new ATOM 0 HH21AARG A 17 -0.610 11.585 -10.692 0.20 0.00 H new ATOM 0 HH21BARG A 17 -1.068 10.585 -11.542 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.375 13.298 -10.327 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.940 12.347 -11.520 0.80 0.00 H new ATOM 449 N AASN A 18 5.038 6.889 -8.016 0.20 0.00 N ATOM 450 N BASN A 18 5.013 6.752 -8.277 0.80 0.00 N ATOM 451 CA AASN A 18 6.467 6.660 -7.834 0.20 0.00 C ATOM 452 CA BASN A 18 6.459 6.657 -8.120 0.80 0.00 C ATOM 453 C AASN A 18 6.715 5.419 -6.981 0.20 0.00 C ATOM 454 C BASN A 18 6.901 5.200 -8.013 0.80 0.00 C ATOM 455 O AASN A 18 7.479 5.459 -6.018 0.20 0.00 O ATOM 456 O BASN A 18 7.806 4.763 -8.725 0.80 0.00 O ATOM 457 CB AASN A 18 7.123 7.879 -7.184 0.20 0.00 C ATOM 458 CB BASN A 18 6.910 7.428 -6.879 0.80 0.00 C ATOM 459 CG AASN A 18 8.531 8.117 -7.690 0.20 0.00 C ATOM 460 CG BASN A 18 8.386 7.774 -6.916 0.80 0.00 C ATOM 461 OD1AASN A 18 8.888 9.235 -8.065 0.20 0.00 O ATOM 462 OD1BASN A 18 9.234 6.757 -6.806 0.80 0.00 O flip ATOM 463 ND2AASN A 18 9.342 7.065 -7.705 0.20 0.00 N ATOM 464 ND2BASN A 18 8.759 8.941 -7.043 0.80 0.00 N flip ATOM 0 H AASN A 18 4.535 7.114 -7.158 0.20 0.00 H new ATOM 0 H BASN A 18 4.510 6.987 -7.421 0.80 0.00 H new ATOM 0 HA AASN A 18 6.911 6.499 -8.816 0.20 0.00 H new ATOM 0 HA BASN A 18 6.924 7.096 -9.003 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.515 8.763 -7.380 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.327 8.345 -6.793 0.80 0.00 H new ATOM 0 HB3AASN A 18 7.147 7.742 -6.103 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.702 6.833 -5.990 0.80 0.00 H new ATOM 0 HD21AASN A 18 10.302 7.165 -8.036 0.20 0.00 H new ATOM 0 HD21BASN A 18 8.072 9.690 -7.124 0.80 0.00 H new ATOM 0 HD22AASN A 18 9.005 6.157 -7.385 0.20 0.00 H new ATOM 0 HD22BASN A 18 9.755 9.158 -7.067 0.80 0.00 H new ATOM 477 N ASER A 19 6.063 4.320 -7.343 0.20 0.00 N ATOM 478 N BSER A 19 6.256 4.455 -7.124 0.80 0.00 N ATOM 479 CA ASER A 19 6.210 3.067 -6.610 0.20 0.00 C ATOM 480 CA BSER A 19 6.583 3.049 -6.923 0.80 0.00 C ATOM 481 C ASER A 19 5.501 1.927 -7.333 0.20 0.00 C ATOM 482 C BSER A 19 5.533 2.147 -7.569 0.80 0.00 C ATOM 483 O ASER A 19 6.142 1.038 -7.894 0.20 0.00 O ATOM 484 O BSER A 19 5.826 1.405 -8.503 0.80 0.00 O ATOM 485 CB ASER A 19 5.650 3.213 -5.193 0.20 0.00 C ATOM 486 CB BSER A 19 6.691 2.735 -5.429 0.80 0.00 C ATOM 487 OG ASER A 19 6.681 3.112 -4.224 0.20 0.00 O ATOM 488 OG BSER A 19 5.487 3.058 -4.753 0.80 0.00 O ATOM 0 H ASER A 19 5.428 4.271 -8.139 0.20 0.00 H new ATOM 0 H BSER A 19 5.503 4.801 -6.530 0.80 0.00 H new ATOM 0 HA ASER A 19 7.273 2.831 -6.552 0.20 0.00 H new ATOM 0 HA BSER A 19 7.545 2.856 -7.398 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.147 4.175 -5.095 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.917 1.678 -5.292 0.80 0.00 H new ATOM 0 HB3ASER A 19 4.901 2.442 -5.013 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.518 3.297 -4.995 0.80 0.00 H new ATOM 0 HG ASER A 19 7.346 3.814 -4.380 0.20 0.00 H new ATOM 0 HG BSER A 19 5.580 2.847 -3.801 0.80 0.00 H new ATOM 499 N AGLY A 20 4.172 1.958 -7.315 0.20 0.00 N ATOM 500 N BGLY A 20 4.306 2.222 -7.060 0.80 0.00 N ATOM 501 CA AGLY A 20 3.396 0.922 -7.972 0.20 0.00 C ATOM 502 CA BGLY A 20 3.231 1.410 -7.598 0.80 0.00 C ATOM 503 C AGLY A 20 2.401 0.263 -7.039 0.20 0.00 C ATOM 504 C BGLY A 20 2.533 0.592 -6.530 0.80 0.00 C ATOM 505 O AGLY A 20 1.328 -0.165 -7.466 0.20 0.00 O ATOM 506 O BGLY A 20 2.037 -0.502 -6.801 0.80 0.00 O ATOM 0 H AGLY A 20 3.619 2.682 -6.857 0.20 0.00 H new ATOM 0 H BGLY A 20 4.038 2.830 -6.286 0.80 0.00 H new ATOM 0 HA2AGLY A 20 2.864 1.354 -8.820 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.504 2.055 -8.090 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.071 0.165 -8.372 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.631 0.741 -8.360 0.80 0.00 H new ATOM 513 N AARG A 21 2.755 0.179 -5.761 0.20 0.00 N ATOM 514 N BARG A 21 2.494 1.121 -5.312 0.80 0.00 N ATOM 515 CA AARG A 21 1.886 -0.435 -4.765 0.20 0.00 C ATOM 516 CA BARG A 21 1.854 0.432 -4.200 0.80 0.00 C ATOM 517 C AARG A 21 0.502 0.207 -4.782 0.20 0.00 C ATOM 518 C BARG A 21 0.391 0.850 -4.069 0.80 0.00 C ATOM 519 O AARG A 21 0.261 1.170 -5.511 0.20 0.00 O ATOM 520 O BARG A 21 0.082 2.038 -3.978 0.80 0.00 O ATOM 521 CB AARG A 21 2.502 -0.307 -3.371 0.20 0.00 C ATOM 522 CB BARG A 21 2.597 0.725 -2.894 0.80 0.00 C ATOM 523 CG AARG A 21 3.954 -0.751 -3.303 0.20 0.00 C ATOM 524 CG BARG A 21 3.523 -0.398 -2.455 0.80 0.00 C ATOM 525 CD AARG A 21 4.848 0.350 -2.753 0.20 0.00 C ATOM 526 CD BARG A 21 4.805 0.144 -1.844 0.80 0.00 C ATOM 527 NE AARG A 21 4.327 0.905 -1.507 0.20 0.00 N ATOM 528 NE BARG A 21 4.542 1.192 -0.860 0.80 0.00 N ATOM 529 CZ AARG A 21 4.341 0.253 -0.349 0.20 0.00 C ATOM 530 CZ BARG A 21 4.016 0.960 0.337 0.80 0.00 C ATOM 531 NH1AARG A 21 4.847 -0.971 -0.279 0.20 0.00 N ATOM 532 NH1BARG A 21 3.701 -0.276 0.697 0.80 0.00 N ATOM 533 NH2AARG A 21 3.848 0.826 0.742 0.20 0.00 N ATOM 534 NH2BARG A 21 3.808 1.965 1.177 0.80 0.00 N ATOM 0 H AARG A 21 3.639 0.529 -5.391 0.20 0.00 H new ATOM 0 H BARG A 21 2.899 2.026 -5.071 0.80 0.00 H new ATOM 0 HA AARG A 21 1.781 -1.491 -5.013 0.20 0.00 H new ATOM 0 HA BARG A 21 1.892 -0.639 -4.400 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.433 0.731 -3.047 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.179 1.639 -3.014 0.80 0.00 H new ATOM 0 HB3AARG A 21 1.916 -0.900 -2.669 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.868 0.913 -2.105 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.036 -1.636 -2.673 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.011 -1.030 -1.729 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.296 -1.036 -4.298 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.765 -1.028 -3.311 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.849 -0.047 -2.583 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.353 -0.670 -1.369 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.942 1.145 -3.493 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.444 0.540 -2.633 0.80 0.00 H new ATOM 0 HE AARG A 21 3.931 1.845 -1.526 0.20 0.00 H new ATOM 0 HE BARG A 21 4.775 2.154 -1.106 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.227 -1.414 -1.115 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.863 -1.051 0.054 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.856 -1.469 0.611 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.297 -0.452 1.617 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.458 1.767 0.692 0.20 0.00 H new ATOM 0 HH21BARG A 21 4.052 2.917 0.904 0.80 0.00 H new ATOM 0 HH22AARG A 21 3.859 0.325 1.630 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.404 1.786 2.096 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.406 -0.333 -3.975 0.20 0.00 N ATOM 562 N BVAL A 22 -0.501 -0.134 -4.059 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.766 0.187 -3.896 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.930 0.131 -3.941 0.80 0.00 C ATOM 565 C AVAL A 22 -2.141 0.529 -2.459 0.20 0.00 C ATOM 566 C BVAL A 22 -2.296 0.537 -2.517 0.80 0.00 C ATOM 567 O AVAL A 22 -1.458 0.128 -1.515 0.20 0.00 O ATOM 568 O BVAL A 22 -1.796 -0.035 -1.549 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.785 -0.822 -4.456 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.765 -1.099 -4.343 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.734 -0.845 -5.975 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.246 -0.835 -4.117 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.531 -2.209 -3.884 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.497 -1.472 -5.793 0.80 0.00 C ATOM 0 H AVAL A 22 -0.224 -1.131 -3.366 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.260 -1.122 -4.131 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.794 1.094 -4.500 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.157 0.952 -4.621 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.784 -0.508 -4.155 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.470 -1.939 -3.715 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.461 -1.564 -6.353 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.821 -1.715 -4.406 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.969 0.146 -6.362 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.420 -0.618 -3.063 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.735 -1.134 -6.301 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.560 0.018 -4.719 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.260 -2.909 -4.291 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.095 -2.343 -6.061 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.526 -2.535 -4.153 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.764 -0.636 -6.439 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.624 -2.178 -2.798 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.440 -1.705 -5.919 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.231 1.270 -2.298 0.20 0.00 N ATOM 594 N BTYR A 23 -3.174 1.527 -2.398 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.697 1.667 -0.975 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.607 2.010 -1.092 0.80 0.00 C ATOM 597 C ATYR A 23 -5.130 2.189 -1.035 0.20 0.00 C ATOM 598 C BTYR A 23 -5.063 2.463 -1.134 0.80 0.00 C ATOM 599 O ATYR A 23 -5.768 2.163 -2.088 0.20 0.00 O ATOM 600 O BTYR A 23 -5.700 2.448 -2.188 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.777 2.740 -0.387 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.715 3.165 -0.632 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.459 3.859 -1.352 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.777 4.375 -1.536 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.412 3.743 -2.259 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.884 4.525 -2.590 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.203 5.032 -1.357 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.727 5.370 -1.335 0.80 0.00 C ATOM 609 CE1ATYR A 23 -1.117 4.764 -3.143 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.936 5.629 -3.418 0.80 0.00 C ATOM 611 CE2ATYR A 23 -2.916 6.057 -2.238 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.785 6.478 -2.158 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.872 5.919 -3.128 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.889 6.603 -3.199 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.581 6.937 -4.006 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.944 7.705 -4.022 0.80 0.00 O ATOM 0 H ATYR A 23 -3.809 1.608 -3.068 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.599 2.010 -3.189 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.676 0.787 -0.332 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.522 1.188 -0.382 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.246 3.161 0.503 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -3.007 3.460 0.376 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.846 2.273 -0.066 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.684 2.816 -0.576 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -0.819 2.840 -2.273 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -1.137 3.765 -2.765 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -4.020 5.145 -0.660 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.431 5.275 -0.522 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -0.300 4.658 -3.842 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -1.234 5.730 -4.233 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -3.506 6.961 -2.230 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.528 7.243 -1.987 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.956 6.727 -4.887 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.672 8.294 -3.732 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.629 2.661 0.101 0.20 0.00 N ATOM 636 N BTYR A 24 -5.584 2.867 0.018 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.987 3.187 0.179 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.965 3.323 0.115 0.80 0.00 C ATOM 639 C ATYR A 24 -6.975 4.684 0.471 0.20 0.00 C ATOM 640 C BTYR A 24 -7.035 4.728 0.707 0.80 0.00 C ATOM 641 O ATYR A 24 -6.091 5.186 1.164 0.20 0.00 O ATOM 642 O BTYR A 24 -6.424 5.014 1.736 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.780 2.451 1.260 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.785 2.357 0.973 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.595 0.951 1.232 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.523 0.900 0.661 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.506 0.353 1.854 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.880 0.079 1.578 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.509 0.131 0.582 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.920 0.348 -0.551 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.333 -1.018 1.830 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.640 -1.253 1.297 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.345 -1.240 0.553 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.685 -0.982 -0.838 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.256 -1.810 1.179 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.043 -1.778 0.087 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.088 -3.176 1.152 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.806 -3.104 -0.197 0.80 0.00 O ATOM 0 H ATYR A 24 -5.114 2.690 0.981 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.070 2.888 0.899 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.468 3.028 -0.786 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.382 3.350 -0.892 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.480 2.827 2.238 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.564 2.540 2.024 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.839 2.680 1.141 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.845 2.566 0.829 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.782 0.970 2.365 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.562 0.488 2.526 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.363 0.574 0.091 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.420 0.969 -1.280 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.480 -1.467 2.318 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.140 -1.879 2.021 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -9.065 -1.862 0.043 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -8.003 -1.397 -1.783 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.826 -3.587 0.654 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.153 -3.315 -1.089 0.80 0.00 H new ATOM 677 N APHE A 25 -7.965 5.391 -0.063 0.20 0.00 N ATOM 678 N BPHE A 25 -7.786 5.605 0.046 0.80 0.00 N ATOM 679 CA APHE A 25 -8.070 6.832 0.139 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.936 6.979 0.503 0.80 0.00 C ATOM 681 C APHE A 25 -9.482 7.219 0.572 0.20 0.00 C ATOM 682 C BPHE A 25 -9.410 7.346 0.649 0.80 0.00 C ATOM 683 O APHE A 25 -10.463 6.850 -0.072 0.20 0.00 O ATOM 684 O BPHE A 25 -10.250 6.911 -0.139 0.80 0.00 O ATOM 685 CB APHE A 25 -7.697 7.577 -1.144 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.254 7.942 -0.472 0.80 0.00 C ATOM 687 CG APHE A 25 -7.966 9.053 -1.080 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.580 9.387 -0.216 0.80 0.00 C ATOM 689 CD1APHE A 25 -7.335 9.846 -0.134 0.20 0.00 C ATOM 690 CD1BPHE A 25 -6.979 10.070 0.827 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.851 9.649 -1.965 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.486 10.060 -1.020 0.80 0.00 C ATOM 693 CE1APHE A 25 -7.581 11.204 -0.074 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.275 11.398 1.067 0.80 0.00 C ATOM 695 CE2APHE A 25 -9.100 11.006 -1.909 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.785 11.387 -0.786 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.465 11.785 -0.961 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.179 12.059 0.260 0.80 0.00 C ATOM 0 H APHE A 25 -8.706 4.990 -0.639 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.299 5.386 -0.808 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.375 7.114 0.930 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.459 7.064 1.480 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.639 7.417 -1.353 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.174 7.805 -0.410 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.254 7.150 -1.978 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.550 7.686 -1.489 0.80 0.00 H new ATOM 0 HD1APHE A 25 -6.644 9.397 0.564 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -6.270 9.559 1.461 0.80 0.00 H new ATOM 0 HD2APHE A 25 -9.352 9.045 -2.707 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -8.963 9.541 -1.838 0.80 0.00 H new ATOM 0 HE1APHE A 25 -7.082 11.811 0.667 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -6.800 11.918 1.885 0.80 0.00 H new ATOM 0 HE2APHE A 25 -9.791 11.458 -2.606 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.492 11.901 -1.420 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.660 12.846 -0.914 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.412 13.097 0.445 0.80 0.00 H new ATOM 717 N AASN A 26 -9.574 7.964 1.668 0.20 0.00 N ATOM 718 N BASN A 26 -9.718 8.149 1.663 0.80 0.00 N ATOM 719 CA AASN A 26 -10.865 8.401 2.189 0.20 0.00 C ATOM 720 CA BASN A 26 -11.090 8.573 1.912 0.80 0.00 C ATOM 721 C AASN A 26 -11.196 9.811 1.710 0.20 0.00 C ATOM 722 C BASN A 26 -11.293 10.029 1.506 0.80 0.00 C ATOM 723 O AASN A 26 -10.579 10.786 2.143 0.20 0.00 O ATOM 724 O BASN A 26 -10.542 10.912 1.921 0.80 0.00 O ATOM 725 CB AASN A 26 -10.862 8.357 3.718 0.20 0.00 C ATOM 726 CB BASN A 26 -11.441 8.394 3.392 0.80 0.00 C ATOM 727 CG AASN A 26 -12.219 8.687 4.309 0.20 0.00 C ATOM 728 CG BASN A 26 -12.937 8.364 3.632 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.667 9.833 4.260 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.701 9.045 2.947 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.881 7.682 4.871 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.364 7.574 4.610 0.80 0.00 N ATOM 0 H AASN A 26 -8.771 8.278 2.213 0.20 0.00 H new ATOM 0 H BASN A 26 -9.036 8.519 2.325 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.630 7.721 1.814 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.750 7.950 1.309 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.556 7.365 4.050 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.999 7.467 3.758 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.122 9.062 4.098 0.20 0.00 H new ATOM 0 HB3BASN A 26 -11.000 9.207 3.968 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.799 7.844 5.285 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.361 7.514 4.819 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.471 6.748 4.889 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.695 7.027 5.152 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.174 9.912 0.816 0.20 0.00 N ATOM 746 N BHIS A 27 -12.314 10.273 0.690 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.589 11.204 0.280 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.617 11.623 0.226 0.80 0.00 C ATOM 749 C AHIS A 27 -13.721 11.800 1.110 0.20 0.00 C ATOM 750 C BHIS A 27 -13.402 12.395 1.281 0.80 0.00 C ATOM 751 O AHIS A 27 -14.626 12.439 0.574 0.20 0.00 O ATOM 752 O BHIS A 27 -13.449 13.626 1.256 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.031 11.057 -1.177 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.409 11.570 -1.081 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.341 10.348 -1.335 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.602 10.667 -1.023 0.80 0.00 C ATOM 757 ND1AHIS A 27 -14.992 9.495 -0.509 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.846 11.089 -0.603 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.138 10.480 -2.453 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.737 9.357 -1.336 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.159 9.133 -1.136 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.694 10.078 -0.658 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.223 9.741 -2.308 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -16.046 9.015 -1.099 0.80 0.00 N ATOM 0 H AHIS A 27 -12.694 9.116 0.447 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.945 9.554 0.337 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.735 11.880 0.327 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.674 12.141 0.049 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.106 12.047 -1.627 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.738 12.577 -1.338 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.264 10.513 -1.728 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.750 11.236 -1.882 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.910 11.092 -3.313 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.960 8.703 -1.704 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.904 8.461 -0.736 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.739 10.114 -0.388 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.981 9.654 -2.985 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.452 8.090 -1.241 0.80 0.00 H new ATOM 779 N AILE A 28 -13.665 11.583 2.420 0.20 0.00 N ATOM 780 N BILE A 28 -14.020 11.667 2.204 0.80 0.00 N ATOM 781 CA AILE A 28 -14.685 12.099 3.324 0.20 0.00 C ATOM 782 CA BILE A 28 -14.803 12.284 3.265 0.80 0.00 C ATOM 783 C AILE A 28 -14.059 12.901 4.460 0.20 0.00 C ATOM 784 C BILE A 28 -13.915 12.695 4.437 0.80 0.00 C ATOM 785 O AILE A 28 -14.578 13.943 4.859 0.20 0.00 O ATOM 786 O BILE A 28 -14.051 13.790 4.980 0.80 0.00 O ATOM 787 CB AILE A 28 -15.536 10.962 3.920 0.20 0.00 C ATOM 788 CB BILE A 28 -15.904 11.336 3.778 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.251 10.194 2.807 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.876 10.991 2.649 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.540 11.520 4.917 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.644 11.968 4.948 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.218 11.043 2.012 0.20 0.00 C ATOM 794 CD1BILE A 28 -18.013 10.094 3.085 0.80 0.00 C ATOM 0 H AILE A 28 -12.924 11.053 2.879 0.20 0.00 H new ATOM 0 H BILE A 28 -13.993 10.648 2.238 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.328 12.752 2.734 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.270 13.171 2.837 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.877 10.271 4.446 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.437 10.414 4.124 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.507 9.775 2.130 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.288 11.914 2.240 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.792 9.355 3.245 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.327 10.503 1.844 0.80 0.00 H new ATOM 0 HG21AILE A 28 -17.134 10.705 5.330 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.419 11.286 5.299 0.80 0.00 H new ATOM 0 HG22AILE A 28 -16.009 12.027 5.723 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.942 12.168 5.757 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.197 12.229 4.413 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.102 12.903 4.626 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.688 10.433 1.241 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.663 9.890 2.234 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.984 11.441 2.677 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.610 9.156 3.467 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.679 11.867 1.545 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.586 10.588 3.869 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.938 12.406 4.978 0.20 0.00 N ATOM 818 N BTHR A 29 -13.002 11.806 4.819 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.241 13.076 6.068 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.092 12.075 5.925 0.80 0.00 C ATOM 821 C ATHR A 29 -10.783 13.341 5.708 0.20 0.00 C ATOM 822 C BTHR A 29 -10.784 12.681 5.424 0.80 0.00 C ATOM 823 O ATHR A 29 -9.922 13.417 6.583 0.20 0.00 O ATOM 824 O BTHR A 29 -10.060 13.328 6.180 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.294 12.244 7.364 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.779 10.794 6.720 0.80 0.00 C ATOM 827 OG1ATHR A 29 -11.207 11.313 7.394 0.20 0.00 O ATOM 828 OG1BTHR A 29 -12.428 9.671 6.114 0.80 0.00 O ATOM 829 CG2ATHR A 29 -13.614 11.495 7.472 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.234 10.929 8.165 0.80 0.00 C ATOM 0 H ATHR A 29 -12.495 11.544 4.660 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.874 10.895 4.379 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.751 14.025 6.233 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.593 12.787 6.581 0.80 0.00 H new ATOM 0 HB ATHR A 29 -12.211 12.925 8.211 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.700 10.640 6.708 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -10.358 11.802 7.427 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -12.223 8.860 6.624 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -13.629 10.915 8.395 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.002 10.012 8.707 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -14.438 12.209 7.479 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -11.717 11.767 8.632 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.723 10.824 6.620 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.309 11.105 8.193 0.80 0.00 H new ATOM 845 N AASN A 30 -10.515 13.479 4.414 0.20 0.00 N ATOM 846 N BASN A 30 -10.489 12.467 4.147 0.80 0.00 N ATOM 847 CA AASN A 30 -9.160 13.736 3.938 0.20 0.00 C ATOM 848 CA BASN A 30 -9.268 12.992 3.546 0.80 0.00 C ATOM 849 C AASN A 30 -8.160 12.800 4.611 0.20 0.00 C ATOM 850 C BASN A 30 -8.034 12.373 4.195 0.80 0.00 C ATOM 851 O AASN A 30 -7.103 13.231 5.068 0.20 0.00 O ATOM 852 O BASN A 30 -7.221 13.073 4.799 0.80 0.00 O ATOM 853 CB AASN A 30 -8.771 15.192 4.203 0.20 0.00 C ATOM 854 CB BASN A 30 -9.222 14.515 3.683 0.80 0.00 C ATOM 855 CG AASN A 30 -7.944 15.783 3.078 0.20 0.00 C ATOM 856 CG BASN A 30 -8.309 15.160 2.658 0.80 0.00 C ATOM 857 OD1AASN A 30 -8.293 16.820 2.514 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.766 15.878 1.768 0.80 0.00 O ATOM 859 ND2AASN A 30 -6.840 15.124 2.746 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.011 14.906 2.778 0.80 0.00 N ATOM 0 H AASN A 30 -11.217 13.417 3.677 0.20 0.00 H new ATOM 0 H BASN A 30 -11.078 11.934 3.508 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.138 13.551 2.864 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.270 12.730 2.488 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.674 15.788 4.338 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.229 14.918 3.573 0.80 0.00 H new ATOM 0 HB3AASN A 30 -8.208 15.251 5.134 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.882 14.777 4.685 0.80 0.00 H new ATOM 0 HD21AASN A 30 -6.243 15.474 1.997 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.349 15.312 2.117 0.80 0.00 H new ATOM 0 HD22AASN A 30 -6.589 14.268 3.241 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.676 14.305 3.531 0.80 0.00 H new ATOM 873 N AALA A 31 -8.504 11.517 4.666 0.20 0.00 N ATOM 874 N BALA A 31 -7.899 11.057 4.064 0.80 0.00 N ATOM 875 CA AALA A 31 -7.637 10.521 5.281 0.20 0.00 C ATOM 876 CA BALA A 31 -6.762 10.346 4.635 0.80 0.00 C ATOM 877 C AALA A 31 -7.095 9.547 4.240 0.20 0.00 C ATOM 878 C BALA A 31 -6.506 9.037 3.894 0.80 0.00 C ATOM 879 O AALA A 31 -7.674 9.388 3.166 0.20 0.00 O ATOM 880 O BALA A 31 -7.417 8.462 3.300 0.80 0.00 O ATOM 881 CB AALA A 31 -8.385 9.768 6.371 0.20 0.00 C ATOM 882 CB BALA A 31 -6.996 10.079 6.114 0.80 0.00 C ATOM 0 H AALA A 31 -9.377 11.144 4.292 0.20 0.00 H new ATOM 0 H BALA A 31 -8.563 10.462 3.568 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.791 11.041 5.730 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.879 10.975 4.526 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.724 9.027 6.821 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.139 9.547 6.528 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.717 10.470 7.136 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.124 11.026 6.639 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.251 9.266 5.938 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.893 9.472 6.237 0.80 0.00 H new ATOM 893 N ASER A 32 -5.982 8.898 4.565 0.20 0.00 N ATOM 894 N BSER A 32 -5.261 8.575 3.933 0.80 0.00 N ATOM 895 CA ASER A 32 -5.361 7.943 3.655 0.20 0.00 C ATOM 896 CA BSER A 32 -4.883 7.337 3.262 0.80 0.00 C ATOM 897 C ASER A 32 -4.621 6.856 4.430 0.20 0.00 C ATOM 898 C BSER A 32 -4.192 6.383 4.229 0.80 0.00 C ATOM 899 O ASER A 32 -3.442 7.001 4.749 0.20 0.00 O ATOM 900 O BSER A 32 -3.487 6.810 5.143 0.80 0.00 O ATOM 901 CB ASER A 32 -4.394 8.659 2.712 0.20 0.00 C ATOM 902 CB BSER A 32 -3.963 7.636 2.078 0.80 0.00 C ATOM 903 OG ASER A 32 -4.724 8.410 1.357 0.20 0.00 O ATOM 904 OG BSER A 32 -3.710 9.027 1.964 0.80 0.00 O ATOM 0 H ASER A 32 -5.492 9.016 5.452 0.20 0.00 H new ATOM 0 H BSER A 32 -4.496 9.040 4.422 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.150 7.474 3.067 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.792 6.859 2.896 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.421 9.732 2.905 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.021 7.101 2.202 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.375 8.325 2.909 0.20 0.00 H new ATOM 0 HB3BSER A 32 -4.419 7.270 1.158 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.092 8.880 0.775 0.20 0.00 H new ATOM 0 HG BSER A 32 -3.118 9.190 1.200 0.80 0.00 H new ATOM 915 N AGLN A 33 -5.324 5.768 4.728 0.20 0.00 N ATOM 916 N BGLN A 33 -4.400 5.086 4.022 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.735 4.657 5.466 0.20 0.00 C ATOM 918 CA BGLN A 33 -3.799 4.070 4.876 0.80 0.00 C ATOM 919 C AGLN A 33 -4.274 3.556 4.516 0.20 0.00 C ATOM 920 C BGLN A 33 -3.613 2.760 4.117 0.80 0.00 C ATOM 921 O AGLN A 33 -4.875 3.338 3.464 0.20 0.00 O ATOM 922 O BGLN A 33 -4.470 2.362 3.327 0.80 0.00 O ATOM 923 CB AGLN A 33 -5.743 4.092 6.469 0.20 0.00 C ATOM 924 CB BGLN A 33 -4.664 3.837 6.115 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.309 2.776 7.092 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.974 3.126 5.817 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.162 2.384 8.281 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.849 2.973 7.046 0.80 0.00 C ATOM 929 OE1AGLN A 33 -7.380 2.570 8.276 0.20 0.00 O ATOM 930 OE1BGLN A 33 -7.390 3.952 7.561 0.80 0.00 O ATOM 931 NE2AGLN A 33 -5.527 1.833 9.310 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.993 1.743 7.522 0.80 0.00 N ATOM 0 H AGLN A 33 -6.301 5.632 4.470 0.20 0.00 H new ATOM 0 H BGLN A 33 -4.980 4.715 3.270 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.866 5.033 6.007 0.20 0.00 H new ATOM 0 HA BGLN A 33 -2.819 4.429 5.189 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -5.904 4.824 7.261 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -4.098 3.250 6.838 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -6.700 3.949 5.968 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -4.880 4.797 6.583 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -5.358 1.989 6.340 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -6.519 3.682 5.055 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -4.268 2.853 7.406 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -5.762 2.141 5.402 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -4.517 1.697 9.272 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.526 0.961 7.063 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -6.050 1.546 10.137 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.571 1.580 8.347 0.80 0.00 H new ATOM 949 N APHE A 34 -3.203 2.866 4.894 0.20 0.00 N ATOM 950 N BPHE A 34 -2.490 2.094 4.362 0.80 0.00 N ATOM 951 CA APHE A 34 -2.660 1.788 4.075 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.191 0.829 3.701 0.80 0.00 C ATOM 953 C APHE A 34 -3.407 0.483 4.330 0.20 0.00 C ATOM 954 C BPHE A 34 -2.980 -0.315 4.332 0.80 0.00 C ATOM 955 O APHE A 34 -3.586 -0.328 3.421 0.20 0.00 O ATOM 956 O BPHE A 34 -3.355 -1.270 3.656 0.80 0.00 O ATOM 957 CB APHE A 34 -1.169 1.601 4.365 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.691 0.532 3.774 0.80 0.00 C ATOM 959 CG APHE A 34 -0.276 2.336 3.408 0.20 0.00 C ATOM 960 CG BPHE A 34 0.171 1.688 3.353 0.80 0.00 C ATOM 961 CD1APHE A 34 0.650 3.256 3.872 0.20 0.00 C ATOM 962 CD1BPHE A 34 1.106 2.225 4.223 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.361 2.107 2.044 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.044 2.239 2.088 0.80 0.00 C ATOM 965 CE1APHE A 34 1.475 3.934 2.994 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.901 3.287 3.840 0.80 0.00 C ATOM 967 CE2APHE A 34 0.461 2.782 1.161 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.836 3.303 1.700 0.80 0.00 C ATOM 969 CZ APHE A 34 1.379 3.698 1.637 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.764 3.829 2.577 0.80 0.00 C ATOM 0 H APHE A 34 -2.694 3.034 5.762 0.20 0.00 H new ATOM 0 H BPHE A 34 -1.771 2.409 5.014 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.788 2.060 3.027 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.486 0.916 2.655 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.959 1.940 5.379 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.434 0.251 4.795 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.930 0.538 4.329 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.468 -0.327 3.141 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.728 3.446 4.932 0.20 0.00 H new ATOM 0 HD1BPHE A 34 1.214 1.808 5.213 0.80 0.00 H new ATOM 0 HD2APHE A 34 -1.078 1.393 1.666 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.681 1.833 1.398 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.194 4.647 3.369 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.629 3.693 4.527 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.386 2.593 0.100 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.729 3.723 0.711 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.020 4.229 0.949 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.381 4.662 2.276 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.841 0.288 5.570 0.20 0.00 N ATOM 990 N BGLU A 35 -3.223 -0.208 5.635 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.567 -0.920 5.945 0.20 0.00 C ATOM 992 CA BGLU A 35 -3.964 -1.235 6.358 0.80 0.00 C ATOM 993 C AGLU A 35 -6.031 -0.829 5.519 0.20 0.00 C ATOM 994 C BGLU A 35 -5.432 -1.243 5.939 0.80 0.00 C ATOM 995 O AGLU A 35 -6.646 0.234 5.600 0.20 0.00 O ATOM 996 O BGLU A 35 -6.058 -0.190 5.811 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.478 -1.149 7.456 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.856 -1.006 7.868 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.462 -2.616 7.848 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.428 -1.039 8.386 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.739 -2.861 9.159 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.109 -2.320 9.134 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -4.420 -2.973 10.200 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -2.986 -2.805 9.878 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -2.492 -2.940 9.144 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -0.983 -2.835 8.976 0.80 0.00 O ATOM 0 H AGLU A 35 -3.703 0.951 6.333 0.20 0.00 H new ATOM 0 H BGLU A 35 -2.918 0.577 6.210 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.107 -1.763 5.430 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.527 -2.203 6.112 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.575 -0.670 7.835 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.301 -0.042 8.114 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.324 -0.661 7.940 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.439 -1.768 8.386 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.487 -2.978 7.929 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.739 -0.930 7.549 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -3.982 -3.194 7.059 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.265 -0.187 9.046 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.579 -1.951 5.065 0.20 0.00 N ATOM 1020 N BARG A 36 -5.974 -2.438 5.727 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.968 -1.998 4.624 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.367 -2.584 5.320 0.80 0.00 C ATOM 1023 C AARG A 36 -8.894 -1.409 5.684 0.20 0.00 C ATOM 1024 C BARG A 36 -8.305 -2.022 6.383 0.80 0.00 C ATOM 1025 O AARG A 36 -8.789 -1.710 6.872 0.20 0.00 O ATOM 1026 O BARG A 36 -8.419 -2.551 7.488 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.379 -3.439 4.315 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.694 -4.055 5.063 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.834 -3.582 3.901 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.114 -4.287 4.575 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.225 -5.041 3.735 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.605 -5.683 4.933 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.676 -5.635 4.991 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.627 -6.158 4.003 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.414 -6.736 5.061 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.480 -7.136 4.287 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.784 -7.362 3.952 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.434 -7.738 5.468 0.80 0.00 N ATOM 1039 NH2AARG A 36 -11.786 -7.215 6.242 0.20 0.00 N ATOM 1040 NH2BARG A 36 -12.380 -7.513 3.388 0.80 0.00 N ATOM 0 H AARG A 36 -6.083 -2.839 4.993 0.20 0.00 H new ATOM 0 H BARG A 36 -5.470 -3.319 5.830 0.80 0.00 H new ATOM 0 HA AARG A 36 -8.056 -1.401 3.717 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.511 -2.021 4.398 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.744 -3.826 3.518 0.20 0.00 H new ATOM 0 HB2BARG A 36 -6.996 -4.450 4.325 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.198 -4.056 5.195 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.538 -4.619 5.983 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.474 -3.116 4.650 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.777 -3.543 5.015 0.80 0.00 H new ATOM 0 HG3AARG A 36 -10.001 -3.051 2.964 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.155 -4.151 3.494 0.80 0.00 H new ATOM 0 HD2AARG A 36 -11.018 -5.121 2.991 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.763 -6.375 4.931 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.373 -5.603 3.354 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.010 -5.677 5.945 0.80 0.00 H new ATOM 0 HE AARG A 36 -10.409 -5.178 5.863 0.20 0.00 H new ATOM 0 HE BARG A 36 -10.689 -5.715 3.086 0.80 0.00 H new ATOM 0 HH11AARG A 36 -11.501 -6.998 3.042 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.743 -7.450 6.161 0.80 0.00 H new ATOM 0 HH12AARG A 36 -12.351 -8.208 4.009 0.20 0.00 H new ATOM 0 HH12BARG A 36 -12.090 -8.489 5.684 0.80 0.00 H new ATOM 0 HH21AARG A 36 -11.505 -6.737 7.098 0.20 0.00 H new ATOM 0 HH21BARG A 36 -12.417 -7.052 2.479 0.80 0.00 H new ATOM 0 HH22AARG A 36 -12.353 -8.061 6.293 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.035 -8.264 3.606 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.826 -0.549 5.244 0.20 0.00 N ATOM 1068 N BPRO A 37 -8.994 -0.920 6.043 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.789 0.100 6.138 0.20 0.00 C ATOM 1070 CA BPRO A 37 -9.936 -0.263 6.954 0.80 0.00 C ATOM 1071 C APRO A 37 -11.816 -0.880 6.693 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.191 -1.094 7.192 0.80 0.00 C ATOM 1073 O APRO A 37 -12.261 -1.791 5.994 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.448 -2.065 6.480 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.469 1.134 5.236 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.283 1.036 6.226 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.323 0.588 3.858 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.054 0.736 4.785 0.80 0.00 C ATOM 1079 CD APRO A 37 -10.009 -0.145 3.839 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.908 -0.236 4.743 0.80 0.00 C ATOM 0 HA APRO A 37 -10.305 0.531 7.015 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.507 -0.112 7.944 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.518 1.262 5.502 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.317 1.329 6.410 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.995 2.111 5.327 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.654 1.859 6.564 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.147 -0.082 3.615 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -10.946 0.308 4.329 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.334 1.388 3.118 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.817 1.644 4.230 0.80 0.00 H new ATOM 0 HD2APRO A 37 -10.039 -1.007 3.173 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.005 -0.936 3.913 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.196 0.495 3.495 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -7.953 0.274 4.620 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.189 -0.689 7.954 0.20 0.00 N ATOM 1096 N BSER A 38 -11.969 -0.708 8.196 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.163 -1.558 8.605 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.197 -1.422 8.531 0.80 0.00 C ATOM 1099 C ASER A 38 -14.571 -1.276 8.093 0.20 0.00 C ATOM 1100 C BSER A 38 -14.338 -0.442 8.796 0.80 0.00 C ATOM 1101 O ASER A 38 -15.215 -2.143 7.503 0.20 0.00 O ATOM 1102 O BSER A 38 -14.122 0.763 8.907 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.112 -1.371 10.122 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.979 -2.312 9.754 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.341 -0.018 10.477 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.159 -3.022 10.086 0.80 0.00 O ATOM 0 H ASER A 38 -11.831 0.061 8.546 0.20 0.00 H new ATOM 0 H BSER A 38 -11.772 0.095 8.793 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.909 -2.590 8.365 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.468 -2.048 7.681 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.861 -2.006 10.595 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.171 -3.016 9.556 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.140 -1.690 10.498 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.668 -1.701 10.601 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.305 0.075 11.452 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.992 -3.585 10.871 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.044 -0.055 8.322 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.553 -0.974 8.896 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.373 0.321 7.878 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.710 -0.135 9.147 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.429 0.080 8.938 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.015 -0.898 9.029 0.80 0.00 C ATOM 1123 O AGLY A 39 -18.440 -0.573 8.681 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.185 -1.650 8.070 0.80 0.00 O ATOM 0 H AGLY A 39 -14.530 0.681 8.807 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.756 -1.970 8.808 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.375 1.375 7.601 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.633 0.296 10.145 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.627 -0.245 6.982 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.713 0.696 8.441 0.80 0.00 H new TER 1131 GLY A 39