USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 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= 0.402 K(o=-6.9,f=-19!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -6.65! C(o=-6.9!,f=-19!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot -168:sc= -0.639 USER MOD Set 2.1: A 5 SER OG A: rot 27:sc= 0.166 USER MOD Set 2.2: A 5 SER OG B: rot 150:sc= -0.0167 USER MOD Set 2.3: A 13 LYS NZ A:NH3+ 178:sc= -0.487 (180deg=-0.00621) USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ -109:sc= -0.209 (180deg=-1.61) 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 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.0229 X(o=-0.023,f=-0.11) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 19 SER OG A: rot -120:sc= 0.103 USER MOD Single : A 19 SER OG B: rot -100:sc= -0.929 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 HE2:sc= -1.11 K(o=-1.1,f=-2.7!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.443 K(o=0.44,f=-2.4!) USER MOD Single : A 30 ASN A: amide:sc= -0.119 X(o=-0.12,f=-0.001) USER MOD Single : A 30 ASN B: amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.00186 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN B: amide:sc= -0.928 K(o=-0.93,f=-4.6!) USER MOD Single : A 38 SER OG A: rot 112:sc= 0.134 USER MOD Single : A 38 SER OG B: rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -13.658 -2.445 -8.123 0.50 0.00 N ATOM 2 N BSER A 5 -14.709 -3.595 -6.803 0.50 0.00 N ATOM 3 CA ASER A 5 -12.807 -2.505 -6.942 0.50 0.00 C ATOM 4 CA BSER A 5 -13.486 -3.835 -6.047 0.50 0.00 C ATOM 5 C ASER A 5 -13.443 -3.368 -5.858 0.50 0.00 C ATOM 6 C BSER A 5 -13.797 -4.082 -4.574 0.50 0.00 C ATOM 7 O ASER A 5 -14.436 -4.056 -6.097 0.50 0.00 O ATOM 8 O BSER A 5 -14.572 -3.350 -3.960 0.50 0.00 O ATOM 9 CB ASER A 5 -12.546 -1.098 -6.402 0.50 0.00 C ATOM 10 CB BSER A 5 -12.534 -2.645 -6.185 0.50 0.00 C ATOM 11 OG ASER A 5 -12.051 -0.245 -7.419 0.50 0.00 O ATOM 12 OG BSER A 5 -11.851 -2.682 -7.427 0.50 0.00 O ATOM 0 HA ASER A 5 -11.858 -2.956 -7.232 0.50 0.00 H new ATOM 0 HA BSER A 5 -13.006 -4.725 -6.454 0.50 0.00 H new ATOM 0 HB2ASER A 5 -13.468 -0.685 -5.994 0.50 0.00 H new ATOM 0 HB2BSER A 5 -13.095 -1.714 -6.102 0.50 0.00 H new ATOM 0 HB3ASER A 5 -11.829 -1.147 -5.583 0.50 0.00 H new ATOM 0 HB3BSER A 5 -11.812 -2.656 -5.368 0.50 0.00 H new ATOM 0 HG ASER A 5 -12.372 -0.555 -8.291 0.50 0.00 H new ATOM 0 HG BSER A 5 -11.648 -1.768 -7.716 0.50 0.00 H new ATOM 23 N ALYS A 6 -12.865 -3.327 -4.662 0.50 0.00 N ATOM 24 N BLYS A 6 -13.189 -5.121 -4.013 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.374 -4.103 -3.537 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.398 -5.466 -2.612 0.50 0.00 C ATOM 27 C ALYS A 6 -13.340 -3.284 -2.251 0.50 0.00 C ATOM 28 C BLYS A 6 -12.890 -4.356 -1.695 0.50 0.00 C ATOM 29 O ALYS A 6 -12.944 -3.781 -1.196 0.50 0.00 O ATOM 30 O BLYS A 6 -11.691 -4.251 -1.439 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.554 -5.382 -3.362 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.692 -6.781 -2.277 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.528 -6.263 -4.599 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.241 -6.824 -2.725 0.50 0.00 C ATOM 35 CD ALYS A 6 -11.112 -6.457 -5.115 0.50 0.00 C ATOM 36 CD BLYS A 6 -11.053 -7.740 -3.924 0.50 0.00 C ATOM 37 CE ALYS A 6 -10.311 -7.380 -4.211 0.50 0.00 C ATOM 38 CE BLYS A 6 -10.109 -7.130 -4.948 0.50 0.00 C ATOM 39 NZ ALYS A 6 -8.894 -7.498 -4.654 0.50 0.00 N ATOM 40 NZ BLYS A 6 -8.937 -8.010 -5.215 0.50 0.00 N ATOM 0 H ALYS A 6 -12.042 -2.764 -4.447 0.50 0.00 H new ATOM 0 H BLYS A 6 -12.547 -5.740 -4.508 0.50 0.00 H new ATOM 0 HA ALYS A 6 -14.410 -4.369 -3.750 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.469 -5.585 -2.450 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -11.532 -5.114 -3.096 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -12.736 -6.943 -1.200 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -12.961 -5.953 -2.528 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.233 -7.603 -2.745 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -12.967 -7.233 -4.365 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -10.908 -5.818 -2.979 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -13.142 -5.814 -5.379 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -10.615 -7.168 -1.902 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -11.144 -6.871 -6.123 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -10.659 -8.700 -3.591 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -10.613 -5.490 -5.184 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -12.019 -7.935 -4.389 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -10.342 -7.003 -3.189 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -10.648 -6.951 -5.878 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -10.772 -8.368 -4.201 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -9.762 -6.161 -4.590 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -8.382 -8.136 -4.012 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -8.317 -7.559 -5.918 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -8.863 -7.881 -5.620 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -8.408 -8.160 -4.333 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -8.446 -6.559 -4.640 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -9.267 -8.926 -5.581 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.759 -2.027 -2.344 0.50 0.00 N ATOM 68 N BLEU A 7 -13.811 -3.534 -1.204 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.778 -1.139 -1.187 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.455 -2.433 -0.315 0.50 0.00 C ATOM 71 C ALEU A 7 -15.199 -0.682 -0.874 0.50 0.00 C ATOM 72 C BLEU A 7 -14.705 -1.723 0.197 0.50 0.00 C ATOM 73 O ALEU A 7 -16.081 -0.679 -1.733 0.50 0.00 O ATOM 74 O BLEU A 7 -15.771 -1.773 -0.415 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.883 0.077 -1.437 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.549 -1.438 -1.039 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.402 -0.098 -1.100 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.212 -0.597 -2.131 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.854 -1.363 -1.746 0.50 0.00 C ATOM 80 CD1BLEU A 7 -13.181 0.877 -1.764 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.605 1.118 -1.546 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.530 -0.830 -3.472 0.50 0.00 C ATOM 0 H ALEU A 7 -14.090 -1.600 -3.209 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.808 -3.609 -1.406 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.397 -1.693 -0.329 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.918 -2.846 0.539 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.965 0.354 -2.488 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.120 -0.763 -0.299 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.271 0.914 -0.856 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.721 -1.989 -1.485 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.304 -0.194 -0.019 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.254 -0.906 -2.217 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.799 -1.472 -1.496 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.657 1.459 -2.553 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.405 -2.228 -1.377 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.716 1.030 -0.827 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.965 -1.296 -2.828 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -12.147 1.201 -1.648 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.553 0.975 -1.298 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -13.015 -0.224 -4.237 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.709 1.246 -2.623 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.479 -0.550 -3.399 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -10.980 2.006 -1.037 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.607 -1.883 -3.741 0.50 0.00 H new ATOM 105 N APRO A 8 -15.430 -0.287 0.387 0.50 0.00 N ATOM 106 N BPRO A 8 -14.570 -1.042 1.344 0.50 0.00 N ATOM 107 CA APRO A 8 -16.742 0.181 0.842 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.677 -0.303 1.962 0.50 0.00 C ATOM 109 C APRO A 8 -17.113 1.535 0.245 0.50 0.00 C ATOM 110 C BPRO A 8 -16.067 0.932 1.159 0.50 0.00 C ATOM 111 O APRO A 8 -16.308 2.191 -0.417 0.50 0.00 O ATOM 112 O BPRO A 8 -15.307 1.431 0.330 0.50 0.00 O ATOM 113 CB APRO A 8 -16.572 0.296 2.359 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.114 0.100 3.328 0.50 0.00 C ATOM 115 CG APRO A 8 -15.111 0.504 2.562 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.638 0.133 3.135 0.50 0.00 C ATOM 117 CD APRO A 8 -14.426 -0.264 1.466 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.326 -0.937 2.127 0.50 0.00 C ATOM 0 HA APRO A 8 -17.543 -0.494 0.539 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.586 -0.901 2.021 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.150 1.129 2.760 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.494 1.072 3.641 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.918 -0.605 2.866 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.396 -0.616 4.099 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.857 1.563 2.513 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.313 1.111 2.779 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.799 0.146 3.543 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.118 -0.053 4.075 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.505 0.225 1.148 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.478 -0.663 1.499 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.158 -1.271 1.787 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.074 -1.882 2.609 0.50 0.00 H new ATOM 133 N APRO A 9 -18.362 1.965 0.482 0.50 0.00 N ATOM 134 N BPRO A 9 -17.284 1.441 1.410 0.50 0.00 N ATOM 135 CA APRO A 9 -18.868 3.244 -0.023 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.803 2.626 0.723 0.50 0.00 C ATOM 137 C APRO A 9 -18.219 4.439 0.671 0.50 0.00 C ATOM 138 C BPRO A 9 -17.075 3.901 1.135 0.50 0.00 C ATOM 139 O APRO A 9 -18.422 4.661 1.864 0.50 0.00 O ATOM 140 O BPRO A 9 -16.613 4.025 2.269 0.50 0.00 O ATOM 141 CB APRO A 9 -20.363 3.187 0.300 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.267 2.679 1.164 0.50 0.00 C ATOM 143 CG APRO A 9 -20.465 2.252 1.455 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.293 1.970 2.473 0.50 0.00 C ATOM 145 CD APRO A 9 -19.376 1.236 1.263 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.244 0.898 2.386 0.50 0.00 C ATOM 0 HA APRO A 9 -18.652 3.378 -1.083 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.671 2.561 -0.357 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.751 4.173 0.554 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.614 3.708 1.264 0.50 0.00 H new ATOM 0 HB3APRO A 9 -20.939 2.827 -0.553 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.917 2.193 0.437 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.341 2.783 2.399 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.082 2.657 3.293 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.444 1.774 1.484 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.276 1.539 2.664 0.50 0.00 H new ATOM 0 HD2APRO A 9 -18.977 0.890 2.216 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.775 0.715 3.353 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.737 0.356 0.731 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.665 -0.050 2.051 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.439 5.205 -0.087 0.50 0.00 N ATOM 162 N BGLY A 10 -16.980 4.849 0.210 0.50 0.00 N ATOM 163 CA AGLY A 10 -16.774 6.366 0.473 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.308 6.103 0.497 0.50 0.00 C ATOM 165 C AGLY A 10 -15.274 6.334 0.261 0.50 0.00 C ATOM 166 C BGLY A 10 -14.837 6.070 0.134 0.50 0.00 C ATOM 167 O AGLY A 10 -14.616 7.374 0.271 0.50 0.00 O ATOM 168 O BGLY A 10 -14.300 7.040 -0.402 0.50 0.00 O ATOM 0 H AGLY A 10 -17.257 5.042 -1.077 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.357 4.772 -0.735 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.183 7.269 0.019 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.797 6.907 -0.053 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -16.986 6.422 1.541 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.412 6.333 1.557 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.731 5.137 0.069 0.50 0.00 N ATOM 176 N BTRP A 11 -14.182 4.952 0.427 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.298 4.974 -0.148 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.762 4.797 0.130 0.50 0.00 C ATOM 179 C ATRP A 11 -12.982 4.838 -1.634 0.50 0.00 C ATOM 180 C BTRP A 11 -12.549 4.449 -1.340 0.50 0.00 C ATOM 181 O ATRP A 11 -13.832 4.426 -2.422 0.50 0.00 O ATOM 182 O BTRP A 11 -13.358 3.745 -1.943 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.785 3.748 0.610 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.151 3.713 1.017 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.467 4.027 2.047 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.409 3.925 2.478 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.318 3.922 3.110 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.517 3.545 3.178 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.210 4.460 2.579 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.541 4.570 3.416 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.666 4.264 4.270 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.392 3.913 4.496 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.372 4.596 3.971 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.189 4.544 4.669 0.50 0.00 C ATOM 195 CE3ATRP A 11 -9.963 4.742 2.015 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.281 5.168 3.323 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.333 5.003 4.805 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.617 5.092 5.813 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -8.934 5.148 2.844 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.715 5.709 4.461 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.124 5.275 4.225 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.381 5.669 5.692 0.50 0.00 C ATOM 0 H ATRP A 11 -15.261 4.266 0.059 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.611 4.140 0.870 0.50 0.00 H new ATOM 0 HA ATRP A 11 -12.795 5.864 0.229 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.267 5.746 0.335 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.534 2.958 0.558 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.552 2.743 0.722 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -11.890 3.372 0.114 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.075 3.678 0.847 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.352 3.615 3.048 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.368 3.030 2.757 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.079 4.270 5.203 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.083 3.744 5.227 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -9.806 4.645 0.951 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.759 5.206 2.378 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.477 5.100 5.871 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.130 5.063 6.763 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -7.967 5.371 2.419 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.741 6.171 4.400 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.300 5.594 4.845 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.911 6.102 6.563 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.755 5.189 -2.008 0.50 0.00 N ATOM 224 N BGLU A 12 -11.455 4.947 -1.909 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.330 5.106 -3.399 0.50 0.00 C ATOM 226 CA BGLU A 12 -11.139 4.689 -3.308 0.50 0.00 C ATOM 227 C AGLU A 12 -10.025 4.327 -3.524 0.50 0.00 C ATOM 228 C BGLU A 12 -9.723 4.138 -3.452 0.50 0.00 C ATOM 229 O AGLU A 12 -9.005 4.701 -2.944 0.50 0.00 O ATOM 230 O BGLU A 12 -8.833 4.466 -2.665 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.157 6.509 -3.987 0.50 0.00 C ATOM 232 CB BGLU A 12 -11.288 5.968 -4.134 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.855 6.698 -5.324 0.50 0.00 C ATOM 234 CG BGLU A 12 -10.189 6.985 -3.881 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.380 7.937 -6.060 0.50 0.00 C ATOM 236 CD BGLU A 12 -9.579 7.517 -5.164 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.808 8.141 -7.215 0.50 0.00 O ATOM 238 OE1BGLU A 12 -9.569 8.753 -5.347 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.578 8.699 -5.481 0.50 0.00 O ATOM 240 OE2BGLU A 12 -9.115 6.699 -5.984 0.50 0.00 O ATOM 0 H AGLU A 12 -11.040 5.533 -1.367 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.774 5.530 -1.423 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.103 4.578 -3.957 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.841 3.943 -3.681 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -11.543 7.241 -3.278 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -11.295 5.708 -5.193 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.093 6.714 -4.109 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -12.252 6.424 -3.911 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -11.682 5.821 -5.947 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -10.594 7.816 -3.304 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.931 6.766 -5.162 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -9.408 6.527 -3.274 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.061 3.239 -4.285 0.50 0.00 N ATOM 254 N BLYS A 13 -9.519 3.301 -4.463 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.884 2.405 -4.488 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.211 2.704 -4.713 0.50 0.00 C ATOM 257 C ALYS A 13 -8.029 2.939 -5.633 0.50 0.00 C ATOM 258 C BLYS A 13 -7.431 3.518 -5.742 0.50 0.00 C ATOM 259 O ALYS A 13 -8.360 2.757 -6.805 0.50 0.00 O ATOM 260 O BLYS A 13 -7.977 3.928 -6.766 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.297 0.960 -4.779 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.370 1.262 -5.200 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.149 0.078 -5.235 0.50 0.00 C ATOM 264 CG BLYS A 13 -9.245 0.409 -4.298 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.249 -1.318 -4.642 0.50 0.00 C ATOM 266 CD BLYS A 13 -8.941 -1.070 -4.465 0.50 0.00 C ATOM 267 CE ALYS A 13 -8.251 -2.385 -5.726 0.50 0.00 C ATOM 268 CE BLYS A 13 -9.474 -1.603 -5.785 0.50 0.00 C ATOM 269 NZ ALYS A 13 -9.547 -2.432 -6.457 0.50 0.00 N ATOM 270 NZ BLYS A 13 -8.547 -1.313 -6.916 0.50 0.00 N ATOM 0 H ALYS A 13 -10.896 2.914 -4.773 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.243 3.020 -5.124 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.293 2.429 -3.572 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.653 2.704 -3.777 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.739 0.530 -3.880 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.796 1.271 -6.203 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -10.071 0.960 -5.547 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -7.385 0.802 -5.277 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -8.149 0.013 -6.323 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -9.089 0.698 -3.259 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.202 0.532 -4.943 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -10.295 0.594 -4.527 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -7.412 -1.488 -3.965 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.864 -1.229 -4.416 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.160 -1.398 -4.049 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -9.384 -1.629 -3.640 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -7.444 -2.188 -6.431 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -9.626 -2.680 -5.707 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -8.052 -3.358 -5.278 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -10.447 -1.158 -5.990 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -9.496 -3.148 -7.209 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -8.966 -0.586 -7.530 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -10.310 -2.679 -5.795 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -7.640 -0.969 -6.542 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -9.742 -1.501 -6.878 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -8.388 -2.181 -7.466 0.50 0.00 H new ATOM 297 N AARG A 14 -6.928 3.600 -5.286 0.50 0.00 N ATOM 298 N BARG A 14 -6.150 3.743 -5.463 0.50 0.00 N ATOM 299 CA AARG A 14 -6.026 4.160 -6.286 0.50 0.00 C ATOM 300 CA BARG A 14 -5.298 4.506 -6.365 0.50 0.00 C ATOM 301 C AARG A 14 -4.662 3.479 -6.230 0.50 0.00 C ATOM 302 C BARG A 14 -4.000 3.754 -6.652 0.50 0.00 C ATOM 303 O AARG A 14 -4.371 2.726 -5.299 0.50 0.00 O ATOM 304 O BARG A 14 -3.489 3.032 -5.798 0.50 0.00 O ATOM 305 CB AARG A 14 -5.867 5.666 -6.072 0.50 0.00 C ATOM 306 CB BARG A 14 -4.981 5.878 -5.766 0.50 0.00 C ATOM 307 CG AARG A 14 -7.180 6.428 -6.110 0.50 0.00 C ATOM 308 CG BARG A 14 -6.180 6.551 -5.116 0.50 0.00 C ATOM 309 CD AARG A 14 -7.128 7.579 -7.103 0.50 0.00 C ATOM 310 CD BARG A 14 -6.420 7.937 -5.692 0.50 0.00 C ATOM 311 NE AARG A 14 -8.311 8.430 -7.019 0.50 0.00 N ATOM 312 NE BARG A 14 -6.729 7.892 -7.118 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.710 9.235 -7.997 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.366 8.864 -7.763 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.025 9.296 -9.130 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.758 9.949 -7.112 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.798 9.979 -7.844 0.50 0.00 N ATOM 318 NH2BARG A 14 -7.611 8.750 -9.062 0.50 0.00 N ATOM 0 H AARG A 14 -6.640 3.760 -4.321 0.50 0.00 H new ATOM 0 H BARG A 14 -5.682 3.408 -4.621 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.459 3.984 -7.270 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.836 4.642 -7.303 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.384 5.839 -5.110 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.191 5.767 -5.024 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.203 6.065 -6.838 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.592 6.527 -6.551 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.988 5.749 -6.381 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.068 5.936 -5.263 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.407 6.814 -5.116 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.018 6.626 -4.041 0.50 0.00 H new ATOM 0 HD2AARG A 14 -6.237 8.178 -6.916 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.242 8.414 -5.158 0.50 0.00 H new ATOM 0 HD3AARG A 14 -7.039 7.181 -8.114 0.50 0.00 H new ATOM 0 HD3BARG A 14 -5.536 8.554 -5.532 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.862 8.405 -6.161 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.440 7.070 -7.648 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.189 8.724 -9.252 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.571 10.040 -6.113 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.333 9.915 -9.880 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.247 10.693 -7.609 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.329 9.933 -6.974 0.50 0.00 H new ATOM 0 HH21BARG A 14 -7.310 7.916 -9.566 0.50 0.00 H new ATOM 0 HH22AARG A 14 -10.103 10.597 -8.596 0.50 0.00 H new ATOM 0 HH22BARG A 14 -8.100 9.496 -9.556 0.50 0.00 H new ATOM 345 N AMET A 15 -3.829 3.751 -7.230 0.50 0.00 N ATOM 346 N BMET A 15 -3.477 3.928 -7.861 0.50 0.00 N ATOM 347 CA AMET A 15 -2.495 3.164 -7.292 0.50 0.00 C ATOM 348 CA BMET A 15 -2.239 3.266 -8.259 0.50 0.00 C ATOM 349 C AMET A 15 -1.442 4.240 -7.545 0.50 0.00 C ATOM 350 C BMET A 15 -1.104 4.275 -8.400 0.50 0.00 C ATOM 351 O AMET A 15 -1.665 5.171 -8.317 0.50 0.00 O ATOM 352 O BMET A 15 -1.132 5.134 -9.281 0.50 0.00 O ATOM 353 CB AMET A 15 -2.434 2.104 -8.392 0.50 0.00 C ATOM 354 CB BMET A 15 -2.440 2.518 -9.578 0.50 0.00 C ATOM 355 CG AMET A 15 -1.328 1.079 -8.186 0.50 0.00 C ATOM 356 CG BMET A 15 -3.101 1.159 -9.411 0.50 0.00 C ATOM 357 SD AMET A 15 -1.915 -0.617 -8.345 0.50 0.00 S ATOM 358 SD BMET A 15 -2.050 -0.025 -8.547 0.50 0.00 S ATOM 359 CE AMET A 15 -0.899 -1.202 -9.698 0.50 0.00 C ATOM 360 CE BMET A 15 -1.399 -0.966 -9.926 0.50 0.00 C ATOM 0 H AMET A 15 -4.054 4.373 -8.007 0.50 0.00 H new ATOM 0 H BMET A 15 -3.890 4.521 -8.581 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.284 2.693 -6.332 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.970 2.552 -7.481 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.393 1.588 -8.442 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.049 3.130 -10.244 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.287 2.597 -9.353 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.473 2.385 -10.062 0.50 0.00 H new ATOM 0 HG2AMET A 15 -0.535 1.255 -8.913 0.50 0.00 H new ATOM 0 HG2BMET A 15 -4.035 1.279 -8.861 0.50 0.00 H new ATOM 0 HG3AMET A 15 -0.890 1.217 -7.197 0.50 0.00 H new ATOM 0 HG3BMET A 15 -3.358 0.762 -10.393 0.50 0.00 H new ATOM 0 HE1AMET A 15 -1.146 -2.241 -9.916 0.50 0.00 H new ATOM 0 HE1BMET A 15 -0.729 -1.741 -9.554 0.50 0.00 H new ATOM 0 HE2AMET A 15 -1.084 -0.592 -10.582 0.50 0.00 H new ATOM 0 HE2BMET A 15 -2.222 -1.429 -10.471 0.50 0.00 H new ATOM 0 HE3AMET A 15 0.153 -1.129 -9.421 0.50 0.00 H new ATOM 0 HE3BMET A 15 -0.850 -0.301 -10.593 0.50 0.00 H new ATOM 379 N ASER A 16 -0.293 4.101 -6.889 0.50 0.00 N ATOM 380 N BSER A 16 -0.107 4.163 -7.530 0.50 0.00 N ATOM 381 CA ASER A 16 0.793 5.061 -7.041 0.50 0.00 C ATOM 382 CA BSER A 16 1.036 5.067 -7.556 0.50 0.00 C ATOM 383 C ASER A 16 1.876 4.515 -7.966 0.50 0.00 C ATOM 384 C BSER A 16 1.813 4.924 -8.861 0.50 0.00 C ATOM 385 O ASER A 16 2.188 3.325 -7.939 0.50 0.00 O ATOM 386 O BSER A 16 1.715 3.906 -9.545 0.50 0.00 O ATOM 387 CB ASER A 16 1.395 5.401 -5.676 0.50 0.00 C ATOM 388 CB BSER A 16 1.958 4.793 -6.366 0.50 0.00 C ATOM 389 OG ASER A 16 2.785 5.657 -5.781 0.50 0.00 O ATOM 390 OG BSER A 16 2.005 5.903 -5.488 0.50 0.00 O ATOM 0 H ASER A 16 -0.091 3.333 -6.248 0.50 0.00 H new ATOM 0 H BSER A 16 -0.067 3.454 -6.797 0.50 0.00 H new ATOM 0 HA ASER A 16 0.384 5.968 -7.486 0.50 0.00 H new ATOM 0 HA BSER A 16 0.661 6.088 -7.488 0.50 0.00 H new ATOM 0 HB2ASER A 16 0.892 6.274 -5.260 0.50 0.00 H new ATOM 0 HB2BSER A 16 1.607 3.914 -5.826 0.50 0.00 H new ATOM 0 HB3ASER A 16 1.225 4.576 -4.984 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.962 4.567 -6.725 0.50 0.00 H new ATOM 0 HG ASER A 16 3.146 5.873 -4.896 0.50 0.00 H new ATOM 0 HG BSER A 16 2.600 5.700 -4.736 0.50 0.00 H new ATOM 401 N AARG A 17 2.447 5.396 -8.781 0.50 0.00 N ATOM 402 N BARG A 17 2.584 5.953 -9.198 0.50 0.00 N ATOM 403 CA AARG A 17 3.494 5.002 -9.717 0.50 0.00 C ATOM 404 CA BARG A 17 3.378 5.942 -10.421 0.50 0.00 C ATOM 405 C AARG A 17 4.860 5.005 -9.034 0.50 0.00 C ATOM 406 C BARG A 17 4.870 5.912 -10.101 0.50 0.00 C ATOM 407 O AARG A 17 4.960 5.206 -7.825 0.50 0.00 O ATOM 408 O BARG A 17 5.659 6.633 -10.710 0.50 0.00 O ATOM 409 CB AARG A 17 3.514 5.946 -10.920 0.50 0.00 C ATOM 410 CB BARG A 17 3.053 7.170 -11.275 0.50 0.00 C ATOM 411 CG AARG A 17 4.319 7.214 -10.688 0.50 0.00 C ATOM 412 CG BARG A 17 3.564 7.071 -12.703 0.50 0.00 C ATOM 413 CD AARG A 17 3.848 8.344 -11.589 0.50 0.00 C ATOM 414 CD BARG A 17 3.632 8.438 -13.366 0.50 0.00 C ATOM 415 NE AARG A 17 2.438 8.659 -11.384 0.50 0.00 N ATOM 416 NE BARG A 17 2.417 9.216 -13.142 0.50 0.00 N ATOM 417 CZ AARG A 17 1.814 9.668 -11.981 0.50 0.00 C ATOM 418 CZ BARG A 17 2.360 10.538 -13.256 0.50 0.00 C ATOM 419 NH1AARG A 17 2.474 10.457 -12.819 0.50 0.00 N ATOM 420 NH1BARG A 17 3.443 11.227 -13.589 0.50 0.00 N ATOM 421 NH2AARG A 17 0.527 9.889 -11.744 0.50 0.00 N ATOM 422 NH2BARG A 17 1.217 11.174 -13.036 0.50 0.00 N ATOM 0 H AARG A 17 2.203 6.386 -8.812 0.50 0.00 H new ATOM 0 H BARG A 17 2.676 6.803 -8.642 0.50 0.00 H new ATOM 0 HA AARG A 17 3.278 3.990 -10.061 0.50 0.00 H new ATOM 0 HA BARG A 17 3.126 5.041 -10.980 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.926 5.417 -11.779 0.50 0.00 H new ATOM 0 HB2BARG A 17 1.973 7.313 -11.294 0.50 0.00 H new ATOM 0 HB3AARG A 17 2.490 6.218 -11.174 0.50 0.00 H new ATOM 0 HB3BARG A 17 3.484 8.054 -10.804 0.50 0.00 H new ATOM 0 HG2AARG A 17 4.230 7.517 -9.645 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.554 6.614 -12.706 0.50 0.00 H new ATOM 0 HG3AARG A 17 5.375 7.015 -10.873 0.50 0.00 H new ATOM 0 HG3BARG A 17 2.910 6.417 -13.280 0.50 0.00 H new ATOM 0 HD2AARG A 17 4.449 9.233 -11.399 0.50 0.00 H new ATOM 0 HD2BARG A 17 4.490 8.987 -12.978 0.50 0.00 H new ATOM 0 HD3AARG A 17 4.009 8.067 -12.631 0.50 0.00 H new ATOM 0 HD3BARG A 17 3.791 8.314 -14.437 0.50 0.00 H new ATOM 0 HE AARG A 17 1.901 8.071 -10.746 0.50 0.00 H new ATOM 0 HE BARG A 17 1.566 8.717 -12.884 0.50 0.00 H new ATOM 0 HH11AARG A 17 3.463 10.289 -13.006 0.50 0.00 H new ATOM 0 HH11BARG A 17 4.324 10.742 -13.759 0.50 0.00 H new ATOM 0 HH12AARG A 17 1.993 11.231 -13.276 0.50 0.00 H new ATOM 0 HH12BARG A 17 3.395 12.242 -13.676 0.50 0.00 H new ATOM 0 HH21AARG A 17 0.015 9.283 -11.102 0.50 0.00 H new ATOM 0 HH21BARG A 17 0.382 10.648 -12.779 0.50 0.00 H new ATOM 0 HH22AARG A 17 0.050 10.664 -12.204 0.50 0.00 H new ATOM 0 HH22BARG A 17 1.173 12.189 -13.124 0.50 0.00 H new ATOM 449 N AASN A 18 5.908 4.776 -9.819 0.50 0.00 N ATOM 450 N BASN A 18 5.247 5.073 -9.142 0.50 0.00 N ATOM 451 CA AASN A 18 7.267 4.751 -9.292 0.50 0.00 C ATOM 452 CA BASN A 18 6.645 4.949 -8.741 0.50 0.00 C ATOM 453 C AASN A 18 7.481 3.529 -8.399 0.50 0.00 C ATOM 454 C BASN A 18 6.951 3.532 -8.268 0.50 0.00 C ATOM 455 O AASN A 18 8.114 2.557 -8.804 0.50 0.00 O ATOM 456 O BASN A 18 7.996 2.969 -8.597 0.50 0.00 O ATOM 457 CB AASN A 18 7.555 6.030 -8.502 0.50 0.00 C ATOM 458 CB BASN A 18 6.967 5.950 -7.630 0.50 0.00 C ATOM 459 CG AASN A 18 8.617 6.888 -9.161 0.50 0.00 C ATOM 460 CG BASN A 18 7.882 7.065 -8.104 0.50 0.00 C ATOM 461 OD1AASN A 18 9.682 6.397 -9.535 0.50 0.00 O ATOM 462 OD1BASN A 18 8.961 6.811 -8.639 0.50 0.00 O ATOM 463 ND2AASN A 18 8.332 8.177 -9.304 0.50 0.00 N ATOM 464 ND2BASN A 18 7.452 8.307 -7.908 0.50 0.00 N ATOM 0 H AASN A 18 5.842 4.605 -10.822 0.50 0.00 H new ATOM 0 H BASN A 18 4.605 4.469 -8.628 0.50 0.00 H new ATOM 0 HA AASN A 18 7.956 4.690 -10.135 0.50 0.00 H new ATOM 0 HA BASN A 18 7.268 5.165 -9.609 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.636 6.607 -8.402 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.040 6.380 -7.252 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.877 5.767 -7.495 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.438 5.426 -6.798 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.009 8.804 -9.739 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.024 9.098 -8.205 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.436 8.540 -8.979 0.50 0.00 H new ATOM 0 HD22BASN A 18 6.550 8.470 -7.460 0.50 0.00 H new ATOM 477 N ASER A 19 6.946 3.592 -7.184 0.50 0.00 N ATOM 478 N BSER A 19 6.032 2.961 -7.496 0.50 0.00 N ATOM 479 CA ASER A 19 7.081 2.494 -6.233 0.50 0.00 C ATOM 480 CA BSER A 19 6.207 1.608 -6.975 0.50 0.00 C ATOM 481 C ASER A 19 6.131 1.353 -6.584 0.50 0.00 C ATOM 482 C BSER A 19 4.883 0.848 -6.988 0.50 0.00 C ATOM 483 O ASER A 19 6.422 0.186 -6.327 0.50 0.00 O ATOM 484 O BSER A 19 4.727 -0.159 -6.300 0.50 0.00 O ATOM 485 CB ASER A 19 6.803 2.987 -4.812 0.50 0.00 C ATOM 486 CB BSER A 19 6.766 1.656 -5.551 0.50 0.00 C ATOM 487 OG ASER A 19 5.444 3.363 -4.659 0.50 0.00 O ATOM 488 OG BSER A 19 5.865 2.306 -4.670 0.50 0.00 O ATOM 0 H ASER A 19 6.416 4.390 -6.835 0.50 0.00 H new ATOM 0 H BSER A 19 5.160 3.412 -7.217 0.50 0.00 H new ATOM 0 HA ASER A 19 8.104 2.121 -6.287 0.50 0.00 H new ATOM 0 HA BSER A 19 6.915 1.085 -7.618 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.049 2.202 -4.097 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.957 0.643 -5.198 0.50 0.00 H new ATOM 0 HB3ASER A 19 7.447 3.837 -4.586 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.722 2.180 -5.550 0.50 0.00 H new ATOM 0 HG ASER A 19 5.393 4.308 -4.405 0.50 0.00 H new ATOM 0 HG BSER A 19 6.157 3.230 -4.527 0.50 0.00 H new ATOM 499 N AGLY A 20 4.990 1.700 -7.172 0.50 0.00 N ATOM 500 N BGLY A 20 3.933 1.341 -7.776 0.50 0.00 N ATOM 501 CA AGLY A 20 4.014 0.694 -7.548 0.50 0.00 C ATOM 502 CA BGLY A 20 2.635 0.695 -7.865 0.50 0.00 C ATOM 503 C AGLY A 20 3.326 0.078 -6.348 0.50 0.00 C ATOM 504 C BGLY A 20 2.055 0.371 -6.502 0.50 0.00 C ATOM 505 O AGLY A 20 3.183 -1.143 -6.263 0.50 0.00 O ATOM 506 O BGLY A 20 1.327 -0.611 -6.348 0.50 0.00 O ATOM 0 H AGLY A 20 4.724 2.659 -7.395 0.50 0.00 H new ATOM 0 H BGLY A 20 4.038 2.175 -8.354 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.266 1.144 -8.201 0.50 0.00 H new ATOM 0 HA2BGLY A 20 1.946 1.344 -8.405 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.508 -0.090 -8.122 0.50 0.00 H new ATOM 0 HA3BGLY A 20 2.728 -0.223 -8.445 0.50 0.00 H new ATOM 513 N AARG A 21 2.895 0.922 -5.415 0.50 0.00 N ATOM 514 N BARG A 21 2.378 1.195 -5.512 0.50 0.00 N ATOM 515 CA AARG A 21 2.221 0.452 -4.211 0.50 0.00 C ATOM 516 CA BARG A 21 1.885 0.991 -4.154 0.50 0.00 C ATOM 517 C AARG A 21 0.754 0.872 -4.210 0.50 0.00 C ATOM 518 C BARG A 21 0.388 1.267 -4.073 0.50 0.00 C ATOM 519 O AARG A 21 0.407 1.953 -4.686 0.50 0.00 O ATOM 520 O BARG A 21 -0.043 2.420 -4.100 0.50 0.00 O ATOM 521 CB AARG A 21 2.920 0.996 -2.963 0.50 0.00 C ATOM 522 CB BARG A 21 2.637 1.892 -3.175 0.50 0.00 C ATOM 523 CG AARG A 21 4.121 0.172 -2.529 0.50 0.00 C ATOM 524 CG BARG A 21 3.165 1.158 -1.953 0.50 0.00 C ATOM 525 CD AARG A 21 5.302 1.060 -2.164 0.50 0.00 C ATOM 526 CD BARG A 21 4.671 1.316 -1.814 0.50 0.00 C ATOM 527 NE AARG A 21 5.082 1.771 -0.909 0.50 0.00 N ATOM 528 NE BARG A 21 5.034 2.611 -1.246 0.50 0.00 N ATOM 529 CZ AARG A 21 4.699 3.041 -0.841 0.50 0.00 C ATOM 530 CZ BARG A 21 6.209 3.198 -1.447 0.50 0.00 C ATOM 531 NH1AARG A 21 4.493 3.735 -1.953 0.50 0.00 N ATOM 532 NH1BARG A 21 7.128 2.606 -2.198 0.50 0.00 N ATOM 533 NH2AARG A 21 4.520 3.621 0.339 0.50 0.00 N ATOM 534 NH2BARG A 21 6.467 4.377 -0.896 0.50 0.00 N ATOM 0 H AARG A 21 3.001 1.935 -5.471 0.50 0.00 H new ATOM 0 H BARG A 21 2.979 2.011 -5.624 0.50 0.00 H new ATOM 0 HA AARG A 21 2.269 -0.637 -4.200 0.50 0.00 H new ATOM 0 HA BARG A 21 2.059 -0.050 -3.883 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.242 2.019 -3.155 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.472 2.362 -3.695 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.202 1.036 -2.144 0.50 0.00 H new ATOM 0 HB3BARG A 21 1.974 2.693 -2.849 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.850 -0.446 -1.673 0.50 0.00 H new ATOM 0 HG2BARG A 21 2.674 1.540 -1.058 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.408 -0.506 -3.333 0.50 0.00 H new ATOM 0 HG3BARG A 21 2.915 0.100 -2.027 0.50 0.00 H new ATOM 0 HD2AARG A 21 6.202 0.451 -2.083 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.062 0.520 -1.181 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.475 1.780 -2.964 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.139 1.205 -2.792 0.50 0.00 H new ATOM 0 HE AARG A 21 5.230 1.265 -0.036 0.50 0.00 H new ATOM 0 HE BARG A 21 4.348 3.091 -0.663 0.50 0.00 H new ATOM 0 HH11AARG A 21 4.629 3.293 -2.862 0.50 0.00 H new ATOM 0 HH11BARG A 21 6.933 1.699 -2.622 0.50 0.00 H new ATOM 0 HH12AARG A 21 4.199 4.710 -1.898 0.50 0.00 H new ATOM 0 HH12BARG A 21 8.030 3.058 -2.352 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.677 3.091 1.197 0.50 0.00 H new ATOM 0 HH21BARG A 21 5.763 4.834 -0.317 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.226 4.596 0.388 0.50 0.00 H new ATOM 0 HH22BARG A 21 7.370 4.826 -1.051 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.103 0.010 -3.674 0.50 0.00 N ATOM 562 N BVAL A 22 -0.402 0.203 -3.972 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.532 0.292 -3.610 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.852 0.330 -3.886 0.50 0.00 C ATOM 565 C AVAL A 22 -1.882 1.079 -2.352 0.50 0.00 C ATOM 566 C BVAL A 22 -2.284 0.727 -2.478 0.50 0.00 C ATOM 567 O AVAL A 22 -1.571 0.659 -1.236 0.50 0.00 O ATOM 568 O BVAL A 22 -1.694 0.291 -1.489 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.362 -1.004 -3.639 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.556 -0.982 -4.277 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.850 -0.689 -3.607 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.748 -1.870 -3.058 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.011 -1.835 -4.865 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.890 -0.691 -4.950 0.50 0.00 C ATOM 0 H AVAL A 22 0.167 -0.890 -3.277 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.062 -0.758 -3.948 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.775 0.890 -4.488 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.144 1.111 -4.588 0.50 0.00 H new ATOM 0 HB AVAL A 22 -2.120 -1.588 -2.751 0.50 0.00 H new ATOM 0 HB BVAL A 22 -1.924 -1.514 -4.988 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.419 -1.618 -3.628 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.247 -2.792 -3.355 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -4.086 -0.140 -2.696 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.777 -2.107 -2.624 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.112 -0.083 -4.474 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.358 -1.349 -2.320 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.607 -2.747 -4.869 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.374 -1.630 -5.220 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.221 -1.260 -5.767 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.530 -0.137 -4.264 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.952 -2.094 -4.838 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.722 -0.098 -5.849 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.531 2.223 -2.537 0.50 0.00 N ATOM 594 N BTYR A 23 -3.321 1.554 -2.395 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.922 3.071 -1.418 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.834 2.011 -1.109 0.50 0.00 C ATOM 597 C ATYR A 23 -4.409 3.406 -1.480 0.50 0.00 C ATOM 598 C BTYR A 23 -5.267 2.517 -1.242 0.50 0.00 C ATOM 599 O ATYR A 23 -5.045 3.261 -2.525 0.50 0.00 O ATOM 600 O BTYR A 23 -5.792 2.645 -2.348 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.097 4.359 -1.412 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.940 3.117 -0.545 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.451 5.308 -2.537 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.859 4.339 -1.429 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.824 5.214 -3.773 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.766 5.383 -1.291 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.408 6.298 -2.361 0.50 0.00 C ATOM 608 CD2BTYR A 23 -1.877 4.451 -2.406 0.50 0.00 C ATOM 609 CE1ATYR A 23 -2.141 6.078 -4.803 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.696 6.503 -2.098 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.735 7.167 -3.384 0.50 0.00 C ATOM 612 CE2BTYR A 23 -1.798 5.568 -3.216 0.50 0.00 C ATOM 613 CZ ATYR A 23 -3.098 7.053 -4.603 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.709 6.590 -3.059 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.419 7.916 -5.625 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.636 7.702 -3.865 0.50 0.00 O ATOM 0 H ATYR A 23 -2.798 2.585 -3.453 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.823 1.921 -3.204 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.731 2.521 -0.496 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.830 1.164 -0.423 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.240 4.868 -0.459 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.316 3.412 0.435 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.040 4.104 -1.481 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.936 2.720 -0.395 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -1.075 4.452 -3.931 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.539 5.318 -0.540 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -3.906 6.391 -1.407 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.163 3.651 -2.535 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.644 5.992 -5.758 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.409 7.305 -1.977 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.484 7.930 -3.231 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.026 5.640 -3.968 0.50 0.00 H new ATOM 0 HH ATYR A 23 -4.111 8.540 -5.321 0.50 0.00 H new ATOM 0 HH BTYR A 23 -1.885 7.606 -4.487 0.50 0.00 H new ATOM 635 N ATYR A 24 -4.955 3.854 -0.357 0.50 0.00 N ATOM 636 N BTYR A 24 -5.894 2.802 -0.105 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.368 4.209 -0.281 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.267 3.291 -0.092 0.50 0.00 C ATOM 639 C ATYR A 24 -6.545 5.642 0.212 0.50 0.00 C ATOM 640 C BTYR A 24 -7.342 4.686 0.520 0.50 0.00 C ATOM 641 O ATYR A 24 -5.776 6.123 1.045 0.50 0.00 O ATOM 642 O BTYR A 24 -6.874 4.913 1.635 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.109 3.244 0.645 0.50 0.00 C ATOM 644 CB BTYR A 24 -8.166 2.330 0.687 0.50 0.00 C ATOM 645 CG ATYR A 24 -6.969 1.793 0.244 0.50 0.00 C ATOM 646 CG BTYR A 24 -8.127 0.909 0.171 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.304 1.370 -1.035 0.50 0.00 C ATOM 648 CD1BTYR A 24 -9.144 0.416 -0.638 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.501 0.845 1.147 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.074 0.061 0.490 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.179 0.044 -1.406 0.50 0.00 C ATOM 652 CE1BTYR A 24 -9.113 -0.882 -1.111 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.372 -0.482 0.784 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.035 -1.236 0.019 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.712 -0.877 -0.492 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.056 -1.704 -0.781 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.584 -2.197 -0.856 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.020 -2.996 -1.250 0.50 0.00 O ATOM 0 H ATYR A 24 -4.441 3.981 0.515 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.473 2.703 0.819 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.789 4.135 -1.284 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.616 3.347 -1.123 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -6.735 3.369 1.661 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.867 2.335 1.735 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.166 3.508 0.660 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -9.193 2.694 0.647 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.669 2.090 -1.753 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.972 1.058 -0.901 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.234 1.151 2.148 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.272 0.423 1.117 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.445 -0.268 -2.405 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.913 -1.251 -1.736 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -6.006 -1.206 1.497 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.208 -1.882 0.276 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.241 -2.714 -0.097 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.208 -3.439 -0.926 0.50 0.00 H new ATOM 677 N APHE A 25 -7.563 6.319 -0.309 0.50 0.00 N ATOM 678 N BPHE A 25 -7.935 5.618 -0.219 0.50 0.00 N ATOM 679 CA APHE A 25 -7.842 7.696 0.078 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.073 6.992 0.251 0.50 0.00 C ATOM 681 C APHE A 25 -9.341 7.921 0.247 0.50 0.00 C ATOM 682 C BPHE A 25 -9.536 7.419 0.259 0.50 0.00 C ATOM 683 O APHE A 25 -10.110 7.789 -0.705 0.50 0.00 O ATOM 684 O BPHE A 25 -10.287 7.125 -0.671 0.50 0.00 O ATOM 685 CB APHE A 25 -7.284 8.666 -0.967 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.257 7.938 -0.633 0.50 0.00 C ATOM 687 CG APHE A 25 -6.673 9.902 -0.373 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.529 9.391 -0.364 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.425 11.054 -0.210 0.50 0.00 C ATOM 690 CD1BPHE A 25 -6.888 10.048 0.674 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.345 9.913 0.022 0.50 0.00 C ATOM 692 CD2BPHE A 25 -8.425 10.100 -1.149 0.50 0.00 C ATOM 693 CE1APHE A 25 -6.867 12.193 0.337 0.50 0.00 C ATOM 694 CE1BPHE A 25 -7.135 11.385 0.923 0.50 0.00 C ATOM 695 CE2APHE A 25 -4.780 11.049 0.569 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.675 11.437 -0.903 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.541 12.191 0.726 0.50 0.00 C ATOM 698 CZ BPHE A 25 -8.030 12.081 0.134 0.50 0.00 C ATOM 0 H APHE A 25 -8.208 5.936 -1.000 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.327 5.447 -1.145 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.354 7.883 1.035 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.694 7.042 1.272 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.532 8.150 -1.565 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.196 7.741 -0.481 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.086 8.957 -1.645 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.474 7.723 -1.679 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.461 11.062 -0.515 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -6.188 9.510 1.295 0.50 0.00 H new ATOM 0 HD2APHE A 25 -4.745 9.023 -0.099 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -8.933 9.602 -1.962 0.50 0.00 H new ATOM 0 HE1APHE A 25 -7.466 13.083 0.460 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -6.628 11.886 1.735 0.50 0.00 H new ATOM 0 HE2APHE A 25 -3.744 11.044 0.874 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -9.375 11.978 -1.522 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.101 13.080 1.152 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.225 13.126 0.328 0.50 0.00 H new ATOM 717 N AASN A 26 -9.751 8.261 1.465 0.50 0.00 N ATOM 718 N BASN A 26 -9.938 8.117 1.317 0.50 0.00 N ATOM 719 CA AASN A 26 -11.159 8.502 1.759 0.50 0.00 C ATOM 720 CA BASN A 26 -11.313 8.585 1.449 0.50 0.00 C ATOM 721 C AASN A 26 -11.525 9.961 1.502 0.50 0.00 C ATOM 722 C BASN A 26 -11.355 10.099 1.639 0.50 0.00 C ATOM 723 O AASN A 26 -10.944 10.873 2.091 0.50 0.00 O ATOM 724 O BASN A 26 -10.504 10.675 2.317 0.50 0.00 O ATOM 725 CB AASN A 26 -11.466 8.136 3.212 0.50 0.00 C ATOM 726 CB BASN A 26 -12.000 7.892 2.626 0.50 0.00 C ATOM 727 CG AASN A 26 -12.957 8.103 3.496 0.50 0.00 C ATOM 728 CG BASN A 26 -13.403 8.414 2.865 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.760 8.601 2.708 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.795 8.676 4.004 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.330 7.514 4.626 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.169 8.564 1.791 0.50 0.00 N ATOM 0 H AASN A 26 -9.128 8.376 2.264 0.50 0.00 H new ATOM 0 H BASN A 26 -9.330 8.371 2.096 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.757 7.874 1.099 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.845 8.336 0.531 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.034 7.161 3.438 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.041 6.819 2.438 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.988 8.858 3.875 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.404 8.035 3.527 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.319 7.461 4.871 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.124 8.909 1.890 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.628 7.115 5.249 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.803 8.335 0.867 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.494 10.175 0.617 0.50 0.00 N ATOM 746 N BHIS A 27 -12.355 10.738 1.039 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.941 11.522 0.283 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.512 12.184 1.143 0.50 0.00 C ATOM 749 C AHIS A 27 -13.873 12.069 1.358 0.50 0.00 C ATOM 750 C BHIS A 27 -13.270 12.558 2.411 0.50 0.00 C ATOM 751 O AHIS A 27 -14.347 13.202 1.265 0.50 0.00 O ATOM 752 O BHIS A 27 -13.111 13.657 2.940 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.649 11.527 -1.072 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.243 12.729 -0.083 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.930 10.752 -1.080 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.515 12.002 -0.395 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.074 11.183 -0.440 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.543 10.755 -0.984 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.246 9.568 -1.656 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.807 12.351 -0.196 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.037 10.296 -0.621 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.797 10.370 -1.134 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.562 9.307 -1.355 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.584 11.320 -0.663 0.50 0.00 N ATOM 0 H AHIS A 27 -12.984 9.432 0.119 0.50 0.00 H new ATOM 0 H BHIS A 27 -13.069 10.276 0.475 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.062 12.165 0.228 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.518 12.630 1.191 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.855 12.557 -1.361 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.467 13.784 0.077 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.978 11.113 -1.825 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.580 12.671 -0.946 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.163 12.050 0.090 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.587 8.945 -2.243 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -16.161 13.270 0.248 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.043 10.368 -0.234 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -16.124 9.437 -1.568 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.604 11.292 -0.649 0.50 0.00 H new ATOM 779 N AILE A 28 -14.130 11.259 2.378 0.50 0.00 N ATOM 780 N BILE A 28 -14.099 11.636 2.893 0.50 0.00 N ATOM 781 CA AILE A 28 -15.007 11.663 3.471 0.50 0.00 C ATOM 782 CA BILE A 28 -14.883 11.871 4.100 0.50 0.00 C ATOM 783 C AILE A 28 -14.201 12.191 4.655 0.50 0.00 C ATOM 784 C BILE A 28 -14.008 11.802 5.346 0.50 0.00 C ATOM 785 O AILE A 28 -14.514 13.241 5.215 0.50 0.00 O ATOM 786 O BILE A 28 -14.222 12.537 6.310 0.50 0.00 O ATOM 787 CB AILE A 28 -15.890 10.493 3.948 0.50 0.00 C ATOM 788 CB BILE A 28 -16.028 10.848 4.233 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.748 9.971 2.794 0.50 0.00 C ATOM 790 CG1BILE A 28 -17.042 11.034 3.102 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.765 10.931 5.112 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.708 10.989 5.588 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.922 9.132 3.246 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.250 10.133 3.218 0.50 0.00 C ATOM 0 H AILE A 28 -13.744 10.319 2.471 0.50 0.00 H new ATOM 0 H BILE A 28 -14.244 10.721 2.466 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.647 12.457 3.085 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.307 12.871 4.012 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.244 9.684 4.290 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.609 9.844 4.159 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.118 10.817 2.215 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.373 12.072 3.090 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.123 9.377 2.127 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.549 10.845 2.148 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.383 10.094 5.438 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.515 10.260 5.668 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.134 11.259 5.938 0.50 0.00 H new ATOM 0 HG22BILE A 28 -15.980 10.813 6.380 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.406 11.754 4.796 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.117 11.995 5.687 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.486 8.796 2.376 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.925 10.320 2.383 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.559 8.266 3.799 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.930 9.091 3.200 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.569 9.728 3.889 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.767 10.337 4.155 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.158 11.455 5.030 0.50 0.00 N ATOM 818 N BTHR A 29 -13.016 10.915 5.319 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.307 11.848 6.145 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.108 10.752 6.446 0.50 0.00 C ATOM 821 C ATHR A 29 -10.911 12.229 5.663 0.50 0.00 C ATOM 822 C BTHR A 29 -10.909 11.684 6.326 0.50 0.00 C ATOM 823 O ATHR A 29 -9.997 12.413 6.465 0.50 0.00 O ATOM 824 O BTHR A 29 -10.347 12.122 7.329 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.189 10.720 7.187 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.605 9.299 6.555 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.676 9.535 6.569 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.796 8.975 5.418 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.539 10.425 7.821 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.771 8.329 6.648 0.50 0.00 C ATOM 0 H ATHR A 29 -12.883 10.583 4.577 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.823 10.300 4.529 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.776 12.714 6.611 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.671 11.004 7.345 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.503 11.047 7.969 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.007 9.211 7.462 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.602 8.823 7.238 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.632 8.009 5.398 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.430 9.625 8.553 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.391 7.310 6.724 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -13.912 11.322 8.316 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.368 8.561 7.530 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.244 10.117 7.049 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.392 8.419 5.756 0.50 0.00 H new ATOM 845 N AASN A 30 -10.756 12.346 4.348 0.50 0.00 N ATOM 846 N BASN A 30 -10.522 11.988 5.091 0.50 0.00 N ATOM 847 CA AASN A 30 -9.470 12.705 3.760 0.50 0.00 C ATOM 848 CA BASN A 30 -9.391 12.871 4.839 0.50 0.00 C ATOM 849 C AASN A 30 -8.339 11.904 4.396 0.50 0.00 C ATOM 850 C BASN A 30 -8.085 12.226 5.295 0.50 0.00 C ATOM 851 O AASN A 30 -7.203 12.372 4.480 0.50 0.00 O ATOM 852 O BASN A 30 -7.194 12.900 5.812 0.50 0.00 O ATOM 853 CB AASN A 30 -9.209 14.202 3.931 0.50 0.00 C ATOM 854 CB BASN A 30 -9.589 14.208 5.557 0.50 0.00 C ATOM 855 CG AASN A 30 -10.488 15.016 3.947 0.50 0.00 C ATOM 856 CG BASN A 30 -9.170 15.390 4.705 0.50 0.00 C ATOM 857 OD1AASN A 30 -10.715 15.820 4.850 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.875 16.396 4.630 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.334 14.807 2.943 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.016 15.272 4.058 0.50 0.00 N ATOM 0 H AASN A 30 -11.504 12.198 3.670 0.50 0.00 H new ATOM 0 H BASN A 30 -10.976 11.635 4.249 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.505 12.468 2.697 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.334 13.048 3.765 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.664 14.369 4.860 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.638 14.317 5.834 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.570 14.551 3.120 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.013 14.209 6.483 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.212 15.324 2.900 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.681 16.035 3.469 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.105 14.130 2.215 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.465 14.419 4.150 0.50 0.00 H new ATOM 873 N AALA A 31 -8.656 10.693 4.843 0.50 0.00 N ATOM 874 N BALA A 31 -7.980 10.915 5.102 0.50 0.00 N ATOM 875 CA AALA A 31 -7.667 9.825 5.468 0.50 0.00 C ATOM 876 CA BALA A 31 -6.785 10.179 5.491 0.50 0.00 C ATOM 877 C AALA A 31 -7.098 8.826 4.467 0.50 0.00 C ATOM 878 C BALA A 31 -6.638 8.898 4.676 0.50 0.00 C ATOM 879 O AALA A 31 -7.728 8.523 3.453 0.50 0.00 O ATOM 880 O BALA A 31 -7.605 8.162 4.479 0.50 0.00 O ATOM 881 CB AALA A 31 -8.279 9.095 6.654 0.50 0.00 C ATOM 882 CB BALA A 31 -6.821 9.859 6.978 0.50 0.00 C ATOM 0 H AALA A 31 -9.592 10.291 4.783 0.50 0.00 H new ATOM 0 H BALA A 31 -8.709 10.341 4.678 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.847 10.450 5.822 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.919 10.809 5.287 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.528 8.450 7.111 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.921 9.309 7.254 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.628 9.822 7.388 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.868 10.786 7.549 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.119 8.489 6.314 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.699 9.252 7.198 0.50 0.00 H new ATOM 893 N ASER A 32 -5.905 8.319 4.755 0.50 0.00 N ATOM 894 N BSER A 32 -5.424 8.637 4.204 0.50 0.00 N ATOM 895 CA ASER A 32 -5.250 7.358 3.874 0.50 0.00 C ATOM 896 CA BSER A 32 -5.153 7.447 3.406 0.50 0.00 C ATOM 897 C ASER A 32 -4.771 6.141 4.661 0.50 0.00 C ATOM 898 C BSER A 32 -4.326 6.438 4.199 0.50 0.00 C ATOM 899 O ASER A 32 -4.333 6.261 5.805 0.50 0.00 O ATOM 900 O BSER A 32 -3.759 6.769 5.240 0.50 0.00 O ATOM 901 CB ASER A 32 -4.068 8.012 3.158 0.50 0.00 C ATOM 902 CB BSER A 32 -4.418 7.826 2.119 0.50 0.00 C ATOM 903 OG ASER A 32 -3.073 7.056 2.834 0.50 0.00 O ATOM 904 OG BSER A 32 -3.849 9.119 2.218 0.50 0.00 O ATOM 0 H ASER A 32 -5.371 8.557 5.591 0.50 0.00 H new ATOM 0 H BSER A 32 -4.612 9.234 4.360 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.977 7.028 3.132 0.50 0.00 H new ATOM 0 HA BSER A 32 -6.107 6.987 3.149 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.416 8.501 2.248 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.635 7.096 1.915 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.639 8.787 3.793 0.50 0.00 H new ATOM 0 HB3BSER A 32 -5.111 7.794 1.278 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.329 7.500 2.376 0.50 0.00 H new ATOM 0 HG BSER A 32 -3.384 9.336 1.383 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.861 4.970 4.038 0.50 0.00 N ATOM 916 N BGLN A 33 -4.264 5.210 3.697 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.437 3.730 4.680 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.508 4.152 4.357 0.50 0.00 C ATOM 919 C AGLN A 33 -3.948 2.722 3.646 0.50 0.00 C ATOM 920 C BGLN A 33 -3.292 2.970 3.419 0.50 0.00 C ATOM 921 O AGLN A 33 -4.460 2.664 2.528 0.50 0.00 O ATOM 922 O BGLN A 33 -4.063 2.758 2.484 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.588 3.130 5.489 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.235 3.691 5.620 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.151 2.515 6.807 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.536 2.955 5.340 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.320 2.036 7.645 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.098 2.273 6.572 0.50 0.00 C ATOM 929 OE1AGLN A 33 -6.568 2.549 8.736 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.654 1.189 6.954 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.046 1.047 7.138 0.50 0.00 N ATOM 932 NE2BGLN A 33 -7.081 2.905 7.200 0.50 0.00 N ATOM 0 H AGLN A 33 -5.223 4.854 3.091 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.728 4.922 2.835 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.612 3.963 5.353 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.533 4.554 4.633 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.325 3.908 5.688 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -3.574 3.039 6.192 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -6.084 2.367 4.889 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.446 4.559 6.245 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.484 1.676 6.608 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.271 3.660 4.952 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.579 3.250 7.374 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -5.367 2.210 4.562 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -6.805 0.651 6.230 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.418 3.801 6.848 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.845 0.683 7.657 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.500 2.495 8.034 0.50 0.00 H new ATOM 949 N APHE A 34 -2.951 1.928 4.024 0.50 0.00 N ATOM 950 N BPHE A 34 -2.238 2.202 3.676 0.50 0.00 N ATOM 951 CA APHE A 34 -2.391 0.923 3.130 0.50 0.00 C ATOM 952 CA BPHE A 34 -1.919 1.041 2.853 0.50 0.00 C ATOM 953 C APHE A 34 -3.166 -0.388 3.231 0.50 0.00 C ATOM 954 C BPHE A 34 -2.538 -0.226 3.439 0.50 0.00 C ATOM 955 O APHE A 34 -3.341 -1.094 2.240 0.50 0.00 O ATOM 956 O BPHE A 34 -1.921 -1.291 3.426 0.50 0.00 O ATOM 957 CB APHE A 34 -0.915 0.684 3.458 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.403 0.874 2.733 0.50 0.00 C ATOM 959 CG APHE A 34 -0.014 1.802 3.019 0.50 0.00 C ATOM 960 CG BPHE A 34 0.344 2.176 2.743 0.50 0.00 C ATOM 961 CD1APHE A 34 0.176 2.067 1.672 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.311 3.019 1.643 0.50 0.00 C ATOM 963 CD2APHE A 34 0.643 2.586 3.952 0.50 0.00 C ATOM 964 CD2BPHE A 34 1.085 2.559 3.851 0.50 0.00 C ATOM 965 CE1APHE A 34 1.005 3.096 1.265 0.50 0.00 C ATOM 966 CE1BPHE A 34 0.997 4.219 1.647 0.50 0.00 C ATOM 967 CE2APHE A 34 1.472 3.616 3.550 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.772 3.757 3.861 0.50 0.00 C ATOM 969 CZ APHE A 34 1.654 3.871 2.205 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.731 4.586 2.758 0.50 0.00 C ATOM 0 H APHE A 34 -2.514 1.962 4.945 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.590 2.363 4.448 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.473 1.295 2.109 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.338 1.204 1.860 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.808 0.543 4.534 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.047 0.253 3.556 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.591 -0.241 2.982 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.176 0.341 1.810 0.50 0.00 H new ATOM 0 HD1APHE A 34 -0.329 1.463 0.932 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.259 2.734 0.771 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.506 2.391 5.005 0.50 0.00 H new ATOM 0 HD2BPHE A 34 1.125 1.913 4.716 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.145 3.293 0.212 0.50 0.00 H new ATOM 0 HE1BPHE A 34 0.959 4.868 0.784 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.978 4.222 4.288 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.342 4.045 4.732 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.303 4.675 1.889 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.272 5.521 2.764 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.626 -0.704 4.437 0.50 0.00 N ATOM 990 N BGLU A 35 -3.757 -0.101 3.952 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.381 -1.931 4.670 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.456 -1.235 4.543 0.50 0.00 C ATOM 993 C AGLU A 35 -5.814 -1.790 4.161 0.50 0.00 C ATOM 994 C BGLU A 35 -5.968 -1.059 4.431 0.50 0.00 C ATOM 995 O AGLU A 35 -6.227 -0.717 3.726 0.50 0.00 O ATOM 996 O BGLU A 35 -6.520 -0.044 4.856 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.387 -2.279 6.159 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.058 -1.399 6.010 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.032 -2.117 6.828 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.831 -2.271 6.215 0.50 0.00 C ATOM 1001 CD AGLU A 35 -2.858 -0.755 7.471 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.661 -1.504 6.800 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -2.098 0.069 6.920 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -0.900 -2.096 7.594 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -3.481 -0.514 8.526 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.505 -0.311 6.463 0.50 0.00 O ATOM 0 H AGLU A 35 -3.490 -0.128 5.268 0.50 0.00 H new ATOM 0 H BGLU A 35 -4.281 0.774 3.970 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.895 -2.737 4.120 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.170 -2.132 3.994 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -5.112 -1.645 6.669 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -3.869 -0.415 6.438 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -4.722 -3.309 6.281 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.895 -1.830 6.559 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.910 -2.891 7.586 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -3.085 -3.099 6.877 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.246 -2.269 6.089 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.535 -2.705 5.260 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.565 -2.887 4.220 0.50 0.00 N ATOM 1020 N BARG A 36 -6.632 -2.057 3.856 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.950 -2.888 3.767 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.080 -2.013 3.687 0.50 0.00 C ATOM 1023 C AARG A 36 -8.852 -2.174 4.770 0.50 0.00 C ATOM 1024 C BARG A 36 -8.774 -1.728 5.014 0.50 0.00 C ATOM 1025 O AARG A 36 -9.050 -2.628 5.897 0.50 0.00 O ATOM 1026 O BARG A 36 -8.815 -2.567 5.915 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.439 -4.322 3.556 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.587 -3.336 3.107 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.943 -4.432 3.366 0.50 0.00 C ATOM 1030 CG BARG A 36 -10.051 -3.299 2.700 0.50 0.00 C ATOM 1031 CD AARG A 36 -10.368 -5.869 3.111 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.698 -4.670 2.828 0.50 0.00 C ATOM 1033 NE AARG A 36 -11.688 -5.946 2.492 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.274 -5.577 1.764 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.908 -5.741 1.199 0.50 0.00 C ATOM 1036 CZ BARG A 36 -10.827 -6.765 1.546 0.50 0.00 C ATOM 1037 NH1AARG A 36 -10.898 -5.447 0.390 0.50 0.00 N ATOM 1038 NH1BARG A 36 -11.822 -7.186 2.314 0.50 0.00 N ATOM 1039 NH2AARG A 36 -13.138 -5.830 0.711 0.50 0.00 N ATOM 1040 NH2BARG A 36 -10.386 -7.531 0.558 0.50 0.00 N ATOM 0 H AARG A 36 -6.237 -3.784 4.577 0.50 0.00 H new ATOM 0 H BARG A 36 -6.191 -2.905 3.500 0.50 0.00 H new ATOM 0 HA AARG A 36 -7.995 -2.352 2.819 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.316 -1.206 2.994 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.940 -4.742 2.683 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.983 -3.598 2.238 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.145 -4.927 4.414 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.443 -4.126 3.845 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.452 -4.053 4.252 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.586 -2.583 3.324 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.252 -3.806 2.529 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.135 -2.950 1.671 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.636 -6.355 2.466 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.443 -5.102 3.796 0.50 0.00 H new ATOM 0 HD3AARG A 36 -10.376 -6.417 4.053 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.782 -4.563 2.802 0.50 0.00 H new ATOM 0 HE AARG A 36 -12.486 -6.170 3.086 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.511 -5.282 1.155 0.50 0.00 H new ATOM 0 HH11AARG A 36 -9.950 -5.378 0.761 0.50 0.00 H new ATOM 0 HH11BARG A 36 -12.164 -6.597 3.074 0.50 0.00 H new ATOM 0 HH12AARG A 36 -11.069 -5.290 -0.603 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.246 -8.098 2.145 0.50 0.00 H new ATOM 0 HH21AARG A 36 -13.917 -6.056 1.329 0.50 0.00 H new ATOM 0 HH21BARG A 36 -9.622 -7.208 -0.035 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.305 -5.672 -0.283 0.50 0.00 H new ATOM 0 HH22BARG A 36 -10.811 -8.443 0.391 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.411 -1.030 4.352 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.334 -0.516 5.142 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.301 -0.229 5.198 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.037 -0.092 6.356 0.50 0.00 C ATOM 1071 C APRO A 37 -11.643 -0.910 5.438 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.357 -0.830 6.549 0.50 0.00 C ATOM 1073 O APRO A 37 -12.381 -1.198 4.496 0.50 0.00 O ATOM 1074 O BPRO A 37 -11.934 -1.351 5.593 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.492 1.060 4.394 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.289 1.400 6.119 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.257 0.659 2.977 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.301 1.549 4.637 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.219 -0.428 3.022 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.324 0.534 4.108 0.50 0.00 C ATOM 0 HA APRO A 37 -9.882 -0.070 6.192 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.459 -0.303 7.256 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.494 1.467 4.530 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.236 1.716 6.557 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.789 1.831 4.709 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.508 2.011 6.572 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.177 0.301 2.515 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.299 1.375 4.236 0.50 0.00 H new ATOM 0 HG3APRO A 37 -9.911 1.505 2.384 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.011 2.558 4.344 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.367 -1.158 2.226 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.633 0.146 3.137 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.212 -0.027 2.904 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.330 0.962 3.978 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.954 -1.168 6.705 0.50 0.00 N ATOM 1096 N BSER A 38 -11.832 -0.870 7.790 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.207 -1.820 7.067 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.084 -1.548 8.108 0.50 0.00 C ATOM 1099 C ASER A 38 -14.392 -0.890 6.832 0.50 0.00 C ATOM 1100 C BSER A 38 -14.150 -0.545 8.536 0.50 0.00 C ATOM 1101 O ASER A 38 -15.168 -1.079 5.895 0.50 0.00 O ATOM 1102 O BSER A 38 -13.838 0.551 9.001 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.171 -2.259 8.532 0.50 0.00 C ATOM 1104 CB BSER A 38 -12.863 -2.578 9.217 0.50 0.00 C ATOM 1105 OG ASER A 38 -12.914 -1.160 9.388 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.617 -3.754 8.979 0.50 0.00 O ATOM 0 H ASER A 38 -11.355 -0.935 7.497 0.50 0.00 H new ATOM 0 H BSER A 38 -11.369 -0.441 8.591 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.327 -2.699 6.433 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.430 -2.060 7.210 0.50 0.00 H new ATOM 0 HB2ASER A 38 -14.122 -2.718 8.801 0.50 0.00 H new ATOM 0 HB2BSER A 38 -11.804 -2.828 9.280 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.401 -3.018 8.668 0.50 0.00 H new ATOM 0 HB3BSER A 38 -13.147 -2.149 10.178 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.712 -0.969 9.924 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.457 -4.397 9.701 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.527 0.117 7.690 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.412 -0.928 8.375 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.619 1.063 7.558 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.508 -0.053 8.749 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.743 0.789 8.538 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.513 0.270 10.229 0.50 0.00 C ATOM 1123 O AGLY A 39 -16.878 -0.346 8.991 0.50 0.00 O ATOM 1124 O BGLY A 39 -17.176 -0.406 11.017 0.50 0.00 O ATOM 0 H AGLY A 39 -13.899 0.294 8.474 0.50 0.00 H new ATOM 0 H BGLY A 39 -15.696 -1.830 7.992 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.242 2.073 7.715 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -16.440 0.873 8.178 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.010 1.023 6.541 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -17.453 -0.525 8.480 0.50 0.00 H new TER 1131 GLY A 39