USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 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 B: amide:sc= -1.73 K(o=-3.9,f=-14!) USER MOD Set 1.2: A 29 THR OG1B: rot 180:sc= -2.15 USER MOD Set 2.1: A 13 LYS NZ B:NH3+ -176:sc= -0.721 (180deg=-0.818) USER MOD Set 2.2: A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot 46:sc= 0.67 USER MOD Single : A 5 SER OG B: rot -45:sc= 0.923 USER MOD Single : A 6 LYS NZ A:NH3+ -157:sc= 0 (180deg=-0.0032) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ A:NH3+ -178:sc= 0 (180deg=-0.0025) USER MOD Single : A 15 MET CE A:methyl -143:sc= -0.184 (180deg=-2.3!) 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= -0.0291 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.721 K(o=-0.72,f=-0.0044) USER MOD Single : A 19 SER OG A: rot 62:sc= 0.0177 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.0491 USER MOD Single : A 23 TYR OH A: rot -119:sc= 1.25 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 30:sc= -0.646 USER MOD Single : A 26 ASN A: amide:sc= -0.949 K(o=-0.95,f=-12!) USER MOD Single : A 27 HIS A: no HE2:sc= -3.53 K(o=-3.5,f=-1.9) USER MOD Single : A 27 HIS B: no HD1:sc= -1.72 K(o=-1.7,f=-2.4) USER MOD Single : A 29 THR OG1A: rot 180:sc=-0.00348 USER MOD Single : A 30 ASN A: amide:sc= -2.44! C(o=-2.4!,f=-2.1!) USER MOD Single : A 30 ASN B: amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.075 USER MOD Single : A 32 SER OG B: rot 155:sc= 0.871 USER MOD Single : A 33 GLN A: amide:sc= 1.12 K(o=1.1,f=-0.013) USER MOD Single : A 33 GLN B: amide:sc= -0.0932 K(o=-0.093,f=0.54) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.167 USER MOD Single : A 38 SER OG B: rot 57:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -13.806 -7.909 -2.932 0.20 0.00 N ATOM 2 N BSER A 5 -13.413 -7.805 -2.855 0.80 0.00 N ATOM 3 CA ASER A 5 -13.741 -6.469 -3.148 0.20 0.00 C ATOM 4 CA BSER A 5 -13.555 -6.639 -3.718 0.80 0.00 C ATOM 5 C ASER A 5 -15.040 -5.795 -2.720 0.20 0.00 C ATOM 6 C BSER A 5 -14.726 -5.770 -3.266 0.80 0.00 C ATOM 7 O ASER A 5 -15.981 -5.674 -3.508 0.20 0.00 O ATOM 8 O BSER A 5 -15.444 -5.198 -4.088 0.80 0.00 O ATOM 9 CB ASER A 5 -13.457 -6.165 -4.621 0.20 0.00 C ATOM 10 CB BSER A 5 -13.759 -7.076 -5.170 0.80 0.00 C ATOM 11 OG ASER A 5 -14.437 -6.751 -5.460 0.20 0.00 O ATOM 12 OG BSER A 5 -13.856 -5.953 -6.030 0.80 0.00 O ATOM 0 HA ASER A 5 -12.929 -6.072 -2.539 0.20 0.00 H new ATOM 0 HA BSER A 5 -12.640 -6.051 -3.649 0.80 0.00 H new ATOM 0 HB2ASER A 5 -13.439 -5.086 -4.776 0.20 0.00 H new ATOM 0 HB2BSER A 5 -12.928 -7.708 -5.483 0.80 0.00 H new ATOM 0 HB3ASER A 5 -12.470 -6.542 -4.890 0.20 0.00 H new ATOM 0 HB3BSER A 5 -14.664 -7.678 -5.249 0.80 0.00 H new ATOM 0 HG ASER A 5 -15.329 -6.576 -5.093 0.20 0.00 H new ATOM 0 HG BSER A 5 -14.448 -5.283 -5.628 0.80 0.00 H new ATOM 23 N ALYS A 6 -15.088 -5.359 -1.466 0.20 0.00 N ATOM 24 N BLYS A 6 -14.911 -5.674 -1.955 0.80 0.00 N ATOM 25 CA ALYS A 6 -16.271 -4.696 -0.931 0.20 0.00 C ATOM 26 CA BLYS A 6 -15.993 -4.875 -1.391 0.80 0.00 C ATOM 27 C ALYS A 6 -15.882 -3.550 -0.003 0.20 0.00 C ATOM 28 C BLYS A 6 -15.462 -3.912 -0.333 0.80 0.00 C ATOM 29 O ALYS A 6 -16.369 -3.456 1.124 0.20 0.00 O ATOM 30 O BLYS A 6 -14.716 -4.307 0.562 0.80 0.00 O ATOM 31 CB ALYS A 6 -17.146 -5.701 -0.177 0.20 0.00 C ATOM 32 CB BLYS A 6 -17.061 -5.784 -0.777 0.80 0.00 C ATOM 33 CG ALYS A 6 -17.850 -6.696 -1.085 0.20 0.00 C ATOM 34 CG BLYS A 6 -17.476 -6.930 -1.684 0.80 0.00 C ATOM 35 CD ALYS A 6 -18.358 -7.898 -0.307 0.20 0.00 C ATOM 36 CD BLYS A 6 -18.584 -7.760 -1.057 0.80 0.00 C ATOM 37 CE ALYS A 6 -18.238 -9.179 -1.120 0.20 0.00 C ATOM 38 CE BLYS A 6 -18.038 -8.726 -0.018 0.80 0.00 C ATOM 39 NZ ALYS A 6 -16.834 -9.670 -1.177 0.20 0.00 N ATOM 40 NZ BLYS A 6 -18.853 -9.970 0.065 0.80 0.00 N ATOM 0 H ALYS A 6 -14.321 -5.453 -0.801 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.326 -6.140 -1.262 0.80 0.00 H new ATOM 0 HA ALYS A 6 -16.836 -4.286 -1.768 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.440 -4.293 -2.197 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -16.527 -6.247 0.535 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -16.684 -6.192 0.161 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -17.893 -5.158 0.401 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.940 -5.186 -0.535 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -18.685 -6.206 -1.585 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.813 -6.534 -2.642 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -17.163 -7.029 -1.863 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -16.614 -7.565 -1.888 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -17.792 -7.999 0.619 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -19.316 -7.099 -0.592 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -19.400 -7.739 -0.028 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -19.106 -8.318 -1.834 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -18.874 -9.948 -0.682 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -17.008 -8.982 -0.266 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -18.602 -9.002 -2.132 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -18.019 -8.238 0.957 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -16.712 -10.277 -2.013 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -18.448 -10.603 0.784 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -16.185 -8.860 -1.240 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -19.830 -9.728 0.327 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -16.622 -10.217 -0.318 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -18.850 -10.449 -0.858 0.80 0.00 H new ATOM 67 N ALEU A 7 -14.999 -2.681 -0.483 0.20 0.00 N ATOM 68 N BLEU A 7 -15.852 -2.646 -0.445 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.543 -1.541 0.304 0.20 0.00 C ATOM 70 CA BLEU A 7 -15.419 -1.626 0.502 0.80 0.00 C ATOM 71 C ALEU A 7 -15.725 -0.785 0.902 0.20 0.00 C ATOM 72 C BLEU A 7 -16.581 -0.725 0.905 0.80 0.00 C ATOM 73 O ALEU A 7 -16.812 -0.731 0.329 0.20 0.00 O ATOM 74 O BLEU A 7 -17.513 -0.494 0.135 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.708 -0.599 -0.566 0.20 0.00 C ATOM 76 CB BLEU A 7 -14.292 -0.786 -0.103 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.194 -0.668 -0.366 0.20 0.00 C ATOM 78 CG BLEU A 7 -13.142 -1.565 -0.741 0.80 0.00 C ATOM 79 CD1ALEU A 7 -11.741 -2.111 -0.202 0.20 0.00 C ATOM 80 CD1BLEU A 7 -12.762 -0.953 -2.081 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.471 -0.010 -1.533 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.941 -1.601 0.190 0.80 0.00 C ATOM 0 H ALEU A 7 -14.585 -2.744 -1.413 0.20 0.00 H new ATOM 0 H BLEU A 7 -16.467 -2.303 -1.183 0.80 0.00 H new ATOM 0 HA ALEU A 7 -13.925 -1.917 1.120 0.20 0.00 H new ATOM 0 HA BLEU A 7 -15.050 -2.130 1.395 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -13.926 -0.813 -1.612 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -14.722 -0.128 -0.858 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -14.034 0.424 -0.375 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.882 -0.148 0.679 0.80 0.00 H new ATOM 0 HG ALEU A 7 -11.943 -0.124 0.545 0.20 0.00 H new ATOM 0 HG BLEU A 7 -13.474 -2.589 -0.913 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -10.661 -2.139 -0.061 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -11.942 -1.520 -2.521 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.232 -2.550 0.666 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -13.622 -0.980 -2.750 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -12.005 -2.679 -1.094 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.450 0.081 -1.933 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -10.394 -0.068 -1.374 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -11.132 -2.160 -0.281 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.729 -0.525 -2.458 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.608 -0.583 0.394 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -11.771 1.035 -1.604 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -12.220 -2.086 1.125 0.80 0.00 H new ATOM 105 N APRO A 8 -15.507 -0.185 2.082 0.20 0.00 N ATOM 106 N BPRO A 8 -16.525 -0.200 2.138 0.80 0.00 N ATOM 107 CA APRO A 8 -16.543 0.581 2.783 0.20 0.00 C ATOM 108 CA BPRO A 8 -17.564 0.687 2.668 0.80 0.00 C ATOM 109 C APRO A 8 -16.879 1.886 2.070 0.20 0.00 C ATOM 110 C BPRO A 8 -17.569 2.050 1.983 0.80 0.00 C ATOM 111 O APRO A 8 -16.180 2.322 1.155 0.20 0.00 O ATOM 112 O BPRO A 8 -16.662 2.395 1.227 0.80 0.00 O ATOM 113 CB APRO A 8 -15.910 0.867 4.147 0.20 0.00 C ATOM 114 CB BPRO A 8 -17.187 0.833 4.145 0.80 0.00 C ATOM 115 CG APRO A 8 -14.442 0.820 3.902 0.20 0.00 C ATOM 116 CG BPRO A 8 -15.718 0.579 4.187 0.80 0.00 C ATOM 117 CD APRO A 8 -14.235 -0.207 2.822 0.20 0.00 C ATOM 118 CD BPRO A 8 -15.443 -0.432 3.109 0.80 0.00 C ATOM 0 HA APRO A 8 -17.485 0.036 2.840 0.20 0.00 H new ATOM 0 HA BPRO A 8 -18.564 0.284 2.506 0.80 0.00 H new ATOM 0 HB2APRO A 8 -16.216 1.841 4.529 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -17.428 1.828 4.519 0.80 0.00 H new ATOM 0 HB3APRO A 8 -16.212 0.125 4.887 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -17.730 0.120 4.765 0.80 0.00 H new ATOM 0 HG2APRO A 8 -14.067 1.795 3.591 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -15.158 1.498 4.013 0.80 0.00 H new ATOM 0 HG3APRO A 8 -13.903 0.546 4.809 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -15.415 0.201 5.163 0.80 0.00 H new ATOM 0 HD2APRO A 8 -13.392 0.049 2.180 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -14.461 -0.283 2.660 0.80 0.00 H new ATOM 0 HD3APRO A 8 -14.030 -1.193 3.239 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -15.464 -1.450 3.498 0.80 0.00 H new ATOM 133 N APRO A 9 -17.978 2.528 2.498 0.20 0.00 N ATOM 134 N BPRO A 9 -18.616 2.843 2.251 0.80 0.00 N ATOM 135 CA APRO A 9 -18.433 3.794 1.914 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.764 4.181 1.672 0.80 0.00 C ATOM 137 C APRO A 9 -17.504 4.955 2.251 0.20 0.00 C ATOM 138 C BPRO A 9 -17.746 5.170 2.228 0.80 0.00 C ATOM 139 O APRO A 9 -17.040 5.082 3.384 0.20 0.00 O ATOM 140 O BPRO A 9 -17.628 5.338 3.441 0.80 0.00 O ATOM 141 CB APRO A 9 -19.808 4.005 2.553 0.20 0.00 C ATOM 142 CB BPRO A 9 -20.183 4.589 2.076 0.80 0.00 C ATOM 143 CG APRO A 9 -19.747 3.255 3.839 0.20 0.00 C ATOM 144 CG BPRO A 9 -20.466 3.802 3.309 0.80 0.00 C ATOM 145 CD APRO A 9 -18.860 2.067 3.583 0.20 0.00 C ATOM 146 CD BPRO A 9 -19.735 2.497 3.142 0.80 0.00 C ATOM 0 HA APRO A 9 -18.455 3.756 0.825 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.598 4.179 0.595 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.008 5.063 2.721 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -20.248 5.660 2.266 0.80 0.00 H new ATOM 0 HB3APRO A 9 -20.605 3.628 1.912 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.900 4.361 1.287 0.80 0.00 H new ATOM 0 HG2APRO A 9 -19.343 3.879 4.636 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -20.122 4.331 4.198 0.80 0.00 H new ATOM 0 HG3APRO A 9 -20.741 2.939 4.154 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -21.537 3.637 3.430 0.80 0.00 H new ATOM 0 HD2APRO A 9 -18.293 1.790 4.472 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -19.382 2.109 4.098 0.80 0.00 H new ATOM 0 HD3APRO A 9 -19.437 1.191 3.287 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -20.375 1.731 2.704 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.234 5.800 1.259 0.20 0.00 N ATOM 162 N BGLY A 10 -17.012 5.824 1.333 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.363 6.940 1.472 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.012 6.789 1.754 0.80 0.00 C ATOM 165 C AGLY A 10 -14.951 6.687 0.983 0.20 0.00 C ATOM 166 C BGLY A 10 -14.603 6.235 1.680 0.80 0.00 C ATOM 167 O AGLY A 10 -14.258 7.614 0.561 0.20 0.00 O ATOM 168 O BGLY A 10 -13.745 6.597 2.483 0.80 0.00 O ATOM 0 H AGLY A 10 -17.604 5.714 0.312 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.092 5.703 0.323 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.773 7.808 0.957 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.083 7.678 1.127 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.339 7.182 2.535 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.222 7.103 2.776 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.520 5.432 1.043 0.20 0.00 N ATOM 176 N BTRP A 11 -14.366 5.355 0.714 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.180 5.062 0.605 0.20 0.00 C ATOM 178 CA BTRP A 11 -13.050 4.748 0.540 0.80 0.00 C ATOM 179 C ATRP A 11 -13.182 4.647 -0.863 0.20 0.00 C ATOM 180 C BTRP A 11 -12.767 4.481 -0.934 0.80 0.00 C ATOM 181 O ATRP A 11 -14.239 4.410 -1.448 0.20 0.00 O ATOM 182 O BTRP A 11 -13.496 3.738 -1.590 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.635 3.922 1.467 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.958 3.445 1.335 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.377 4.326 2.888 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.962 3.653 2.821 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.223 4.173 3.950 0.20 0.00 C ATOM 188 CD1BTRP A 11 -14.054 3.689 3.639 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.194 4.947 3.401 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.821 3.857 3.659 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.637 4.664 5.092 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.660 3.902 4.937 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.391 5.144 4.782 0.20 0.00 C ATOM 194 CE2BTRP A 11 -12.295 4.008 4.976 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.986 5.356 2.828 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.445 3.924 3.427 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.426 5.730 5.595 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.440 4.223 6.054 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -9.030 5.939 3.637 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.597 4.139 4.496 0.80 0.00 C ATOM 201 CH2ATRP A 11 -9.254 6.122 5.008 0.20 0.00 C ATOM 202 CH2BTRP A 11 -10.096 4.285 5.798 0.80 0.00 C ATOM 0 H ATRP A 11 -15.080 4.654 1.391 0.20 0.00 H new ATOM 0 H BTRP A 11 -15.066 5.046 0.040 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.535 5.934 0.717 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.301 5.446 0.914 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.345 3.095 1.455 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.795 2.802 1.063 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.708 3.554 1.027 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -12.047 2.918 1.052 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.207 3.731 3.899 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -15.077 3.568 3.314 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -13.061 4.670 6.020 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -14.283 3.970 5.742 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.804 5.219 1.772 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -10.051 3.810 2.428 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.596 5.871 6.652 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.823 4.337 7.057 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -8.093 6.259 3.205 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.532 4.196 4.326 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.487 6.581 5.613 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.408 4.449 6.614 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.994 4.562 -1.451 0.20 0.00 N ATOM 224 N BGLU A 12 -11.703 5.090 -1.448 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.861 4.177 -2.852 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.325 4.916 -2.845 0.80 0.00 C ATOM 227 C AGLU A 12 -10.505 3.527 -3.111 0.20 0.00 C ATOM 228 C BGLU A 12 -9.972 4.218 -2.961 0.80 0.00 C ATOM 229 O AGLU A 12 -9.518 3.834 -2.442 0.20 0.00 O ATOM 230 O BGLU A 12 -9.029 4.546 -2.240 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.034 5.396 -3.759 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.274 6.269 -3.555 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.812 6.295 -3.812 0.20 0.00 C ATOM 234 CG BGLU A 12 -11.847 6.241 -4.961 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.130 6.277 -5.166 0.20 0.00 C ATOM 236 CD BGLU A 12 -11.551 4.943 -5.688 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.194 5.229 -5.845 0.20 0.00 O ATOM 238 OE1BGLU A 12 -10.442 4.819 -6.249 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.536 7.305 -5.548 0.20 0.00 O ATOM 240 OE2BGLU A 12 -12.425 4.051 -5.693 0.80 0.00 O ATOM 0 H AGLU A 12 -11.110 4.754 -0.980 0.20 0.00 H new ATOM 0 H BGLU A 12 -11.088 5.708 -0.918 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.643 3.452 -3.077 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.079 4.291 -3.323 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.269 5.057 -4.768 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.823 7.001 -2.963 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.888 5.978 -3.412 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.239 6.607 -3.600 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.107 7.317 -3.572 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -12.926 6.387 -4.912 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.101 5.981 -3.048 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -11.438 7.074 -5.532 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.463 2.625 -4.087 0.20 0.00 N ATOM 254 N BLYS A 13 -9.886 3.254 -3.871 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.229 1.933 -4.436 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.651 2.510 -4.082 0.80 0.00 C ATOM 257 C ALYS A 13 -8.302 2.841 -5.239 0.20 0.00 C ATOM 258 C BLYS A 13 -7.774 3.194 -5.125 0.80 0.00 C ATOM 259 O ALYS A 13 -8.622 3.234 -6.361 0.20 0.00 O ATOM 260 O BLYS A 13 -8.203 3.427 -6.254 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.542 0.668 -5.240 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.964 1.077 -4.522 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.420 -0.356 -5.224 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.725 0.243 -4.802 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.749 -1.557 -6.095 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.071 -1.038 -5.539 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.237 -2.849 -5.477 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.396 -2.168 -4.574 0.80 0.00 C ATOM 269 NZ ALYS A 13 -6.750 -2.882 -5.409 0.20 0.00 N ATOM 270 NZ BLYS A 13 -7.186 -2.640 -3.846 0.80 0.00 N ATOM 0 H ALYS A 13 -11.270 2.357 -4.650 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.658 2.970 -4.474 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.723 1.655 -3.511 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.107 2.483 -3.138 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.447 0.209 -4.842 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.553 0.588 -3.746 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.754 0.947 -6.272 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.582 1.108 -5.420 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.498 0.108 -5.575 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.019 0.825 -5.394 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.241 -0.686 -4.200 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.228 0.001 -3.862 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.828 -1.622 -6.235 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.924 -0.862 -6.195 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.307 -1.424 -7.082 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.235 -1.330 -6.174 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -8.649 -2.959 -4.474 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -9.143 -1.829 -3.856 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.592 -3.697 -6.062 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.837 -3.000 -5.124 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -6.441 -3.793 -5.013 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.436 -3.454 -3.249 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -6.356 -2.768 -6.365 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.457 -2.924 -4.531 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -6.413 -2.108 -4.801 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.819 -1.872 -3.248 0.80 0.00 H new ATOM 297 N AARG A 14 -7.156 3.170 -4.654 0.20 0.00 N ATOM 298 N BARG A 14 -6.543 3.514 -4.738 0.80 0.00 N ATOM 299 CA AARG A 14 -6.182 4.032 -5.314 0.20 0.00 C ATOM 300 CA BARG A 14 -5.606 4.171 -5.640 0.80 0.00 C ATOM 301 C AARG A 14 -4.844 3.315 -5.479 0.20 0.00 C ATOM 302 C BARG A 14 -4.276 3.424 -5.683 0.80 0.00 C ATOM 303 O AARG A 14 -4.582 2.313 -4.816 0.20 0.00 O ATOM 304 O BARG A 14 -4.015 2.555 -4.854 0.80 0.00 O ATOM 305 CB AARG A 14 -5.987 5.322 -4.516 0.20 0.00 C ATOM 306 CB BARG A 14 -5.377 5.620 -5.205 0.80 0.00 C ATOM 307 CG AARG A 14 -6.801 6.493 -5.043 0.20 0.00 C ATOM 308 CG BARG A 14 -6.658 6.424 -5.063 0.80 0.00 C ATOM 309 CD AARG A 14 -5.980 7.773 -5.071 0.20 0.00 C ATOM 310 CD BARG A 14 -6.814 7.429 -6.194 0.80 0.00 C ATOM 311 NE AARG A 14 -5.915 8.351 -6.410 0.20 0.00 N ATOM 312 NE BARG A 14 -5.682 8.348 -6.270 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.994 9.233 -6.787 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.620 9.368 -7.117 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.067 9.633 -5.930 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.619 9.600 -7.957 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.001 9.715 -8.022 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.555 10.163 -7.125 0.80 0.00 N ATOM 0 H AARG A 14 -6.878 2.853 -3.725 0.20 0.00 H new ATOM 0 H BARG A 14 -6.172 3.329 -3.806 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.566 4.280 -6.304 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.038 4.163 -6.641 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.258 5.141 -3.476 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.848 5.625 -4.252 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.931 5.590 -4.528 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.729 6.110 -5.932 0.80 0.00 H new ATOM 0 HG2AARG A 14 -7.159 6.266 -6.047 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.514 5.749 -5.054 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.681 6.637 -4.416 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.656 6.948 -4.107 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.415 8.498 -4.384 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.913 6.897 -7.140 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.971 7.564 -4.717 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.733 7.997 -6.050 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.615 8.062 -7.094 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.896 8.198 -5.638 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.059 9.264 -4.979 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.439 8.994 -7.954 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.361 10.310 -6.221 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.567 10.385 -8.606 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.714 9.409 -8.685 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.784 9.990 -6.480 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.294 10.391 -8.309 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.508 10.947 -7.776 0.80 0.00 H new ATOM 345 N AMET A 15 -4.005 3.839 -6.366 0.20 0.00 N ATOM 346 N BMET A 15 -3.439 3.772 -6.656 0.80 0.00 N ATOM 347 CA AMET A 15 -2.694 3.251 -6.617 0.20 0.00 C ATOM 348 CA BMET A 15 -2.136 3.134 -6.806 0.80 0.00 C ATOM 349 C AMET A 15 -1.586 4.276 -6.393 0.20 0.00 C ATOM 350 C BMET A 15 -1.040 4.177 -6.998 0.80 0.00 C ATOM 351 O AMET A 15 -1.843 5.393 -5.946 0.20 0.00 O ATOM 352 O BMET A 15 -1.173 5.089 -7.814 0.80 0.00 O ATOM 353 CB AMET A 15 -2.620 2.704 -8.043 0.20 0.00 C ATOM 354 CB BMET A 15 -2.151 2.168 -7.993 0.80 0.00 C ATOM 355 CG AMET A 15 -1.865 1.391 -8.154 0.20 0.00 C ATOM 356 CG BMET A 15 -0.789 1.565 -8.301 0.80 0.00 C ATOM 357 SD AMET A 15 -0.556 1.445 -9.394 0.20 0.00 S ATOM 358 SD BMET A 15 -0.905 -0.109 -8.959 0.80 0.00 S ATOM 359 CE AMET A 15 -0.169 -0.296 -9.552 0.20 0.00 C ATOM 360 CE BMET A 15 0.515 -0.142 -10.051 0.80 0.00 C ATOM 0 H AMET A 15 -4.209 4.669 -6.923 0.20 0.00 H new ATOM 0 H BMET A 15 -3.640 4.491 -7.351 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.552 2.430 -5.914 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.925 2.575 -5.895 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.632 2.564 -8.422 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.858 1.364 -7.788 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.140 3.445 -8.682 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.514 2.695 -8.875 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.432 1.142 -7.185 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.269 2.199 -9.020 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.565 0.594 -8.405 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.187 1.553 -7.392 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.904 -0.418 -9.696 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.580 -1.117 -10.534 0.80 0.00 H new ATOM 0 HE2AMET A 15 -0.476 -0.821 -8.647 0.20 0.00 H new ATOM 0 HE2BMET A 15 0.408 0.633 -10.810 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.700 -0.710 -10.409 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.422 0.038 -9.474 0.80 0.00 H new ATOM 379 N ASER A 16 -0.355 3.885 -6.707 0.20 0.00 N ATOM 380 N BSER A 16 0.042 4.037 -6.239 0.80 0.00 N ATOM 381 CA ASER A 16 0.794 4.770 -6.537 0.20 0.00 C ATOM 382 CA BSER A 16 1.159 4.971 -6.323 0.80 0.00 C ATOM 383 C ASER A 16 1.286 5.287 -7.885 0.20 0.00 C ATOM 384 C BSER A 16 1.710 5.036 -7.744 0.80 0.00 C ATOM 385 O ASER A 16 0.873 4.799 -8.937 0.20 0.00 O ATOM 386 O BSER A 16 1.347 4.224 -8.598 0.80 0.00 O ATOM 387 CB ASER A 16 1.925 4.036 -5.815 0.20 0.00 C ATOM 388 CB BSER A 16 2.270 4.559 -5.354 0.80 0.00 C ATOM 389 OG ASER A 16 1.893 4.292 -4.422 0.20 0.00 O ATOM 390 OG BSER A 16 2.931 5.694 -4.824 0.80 0.00 O ATOM 0 H ASER A 16 -0.127 2.963 -7.080 0.20 0.00 H new ATOM 0 H BSER A 16 0.169 3.287 -5.560 0.80 0.00 H new ATOM 0 HA ASER A 16 0.480 5.622 -5.934 0.20 0.00 H new ATOM 0 HA BSER A 16 0.793 5.960 -6.048 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.838 2.964 -5.993 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.847 3.968 -4.541 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.885 4.350 -6.223 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.990 3.923 -5.870 0.80 0.00 H new ATOM 0 HG ASER A 16 2.625 3.810 -3.984 0.20 0.00 H new ATOM 0 HG BSER A 16 3.635 5.404 -4.207 0.80 0.00 H new ATOM 401 N AARG A 17 2.169 6.279 -7.845 0.20 0.00 N ATOM 402 N BARG A 17 2.584 6.005 -7.992 0.80 0.00 N ATOM 403 CA AARG A 17 2.718 6.863 -9.063 0.20 0.00 C ATOM 404 CA BARG A 17 3.183 6.175 -9.310 0.80 0.00 C ATOM 405 C AARG A 17 4.237 6.730 -9.093 0.20 0.00 C ATOM 406 C BARG A 17 4.698 6.007 -9.246 0.80 0.00 C ATOM 407 O AARG A 17 4.833 6.555 -10.156 0.20 0.00 O ATOM 408 O BARG A 17 5.336 5.657 -10.236 0.80 0.00 O ATOM 409 CB AARG A 17 2.321 8.338 -9.167 0.20 0.00 C ATOM 410 CB BARG A 17 2.835 7.553 -9.875 0.80 0.00 C ATOM 411 CG AARG A 17 2.590 8.945 -10.535 0.20 0.00 C ATOM 412 CG BARG A 17 1.377 7.939 -9.687 0.80 0.00 C ATOM 413 CD AARG A 17 2.276 10.433 -10.557 0.20 0.00 C ATOM 414 CD BARG A 17 1.111 9.358 -10.164 0.80 0.00 C ATOM 415 NE AARG A 17 0.929 10.698 -11.057 0.20 0.00 N ATOM 416 NE BARG A 17 1.608 9.583 -11.518 0.80 0.00 N ATOM 417 CZ AARG A 17 0.620 10.739 -12.348 0.20 0.00 C ATOM 418 CZ BARG A 17 1.549 10.758 -12.138 0.80 0.00 C ATOM 419 NH1AARG A 17 1.556 10.530 -13.265 0.20 0.00 N ATOM 420 NH1BARG A 17 1.020 11.808 -11.525 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.627 10.987 -12.725 0.20 0.00 N ATOM 422 NH2BARG A 17 2.023 10.883 -13.371 0.80 0.00 N ATOM 0 H AARG A 17 2.520 6.695 -6.982 0.20 0.00 H new ATOM 0 H BARG A 17 2.893 6.685 -7.297 0.80 0.00 H new ATOM 0 HA AARG A 17 2.308 6.321 -9.915 0.20 0.00 H new ATOM 0 HA BARG A 17 2.779 5.406 -9.968 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.260 8.437 -8.937 0.20 0.00 H new ATOM 0 HB2BARG A 17 3.465 8.302 -9.396 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.865 8.906 -8.413 0.20 0.00 H new ATOM 0 HB3BARG A 17 3.072 7.570 -10.939 0.80 0.00 H new ATOM 0 HG2AARG A 17 3.635 8.789 -10.804 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.742 7.244 -10.236 0.80 0.00 H new ATOM 0 HG3AARG A 17 1.987 8.434 -11.286 0.20 0.00 H new ATOM 0 HG3BARG A 17 1.109 7.852 -8.634 0.80 0.00 H new ATOM 0 HD2AARG A 17 2.376 10.840 -9.551 0.20 0.00 H new ATOM 0 HD2BARG A 17 0.039 9.556 -10.134 0.80 0.00 H new ATOM 0 HD3AARG A 17 3.004 10.948 -11.184 0.20 0.00 H new ATOM 0 HD3BARG A 17 1.585 10.064 -9.482 0.80 0.00 H new ATOM 0 HE AARG A 17 0.186 10.860 -10.378 0.20 0.00 H new ATOM 0 HE BARG A 17 2.023 8.796 -12.016 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.516 10.337 -12.979 0.20 0.00 H new ATOM 0 HH11BARG A 17 0.657 11.715 -10.576 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.316 10.562 -14.256 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.976 12.708 -12.002 0.80 0.00 H new ATOM 0 HH21AARG A 17 -1.350 11.146 -12.023 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.433 10.078 -13.844 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.863 11.018 -13.717 0.20 0.00 H new ATOM 0 HH22BARG A 17 1.977 11.785 -13.846 0.80 0.00 H new ATOM 449 N AASN A 18 4.857 6.816 -7.922 0.20 0.00 N ATOM 450 N BASN A 18 5.266 6.261 -8.071 0.80 0.00 N ATOM 451 CA AASN A 18 6.307 6.706 -7.814 0.20 0.00 C ATOM 452 CA BASN A 18 6.706 6.138 -7.878 0.80 0.00 C ATOM 453 C AASN A 18 6.702 5.482 -6.991 0.20 0.00 C ATOM 454 C BASN A 18 7.110 4.678 -7.694 0.80 0.00 C ATOM 455 O AASN A 18 7.540 5.569 -6.095 0.20 0.00 O ATOM 456 O BASN A 18 8.017 4.185 -8.362 0.80 0.00 O ATOM 457 CB AASN A 18 6.890 7.970 -7.181 0.20 0.00 C ATOM 458 CB BASN A 18 7.150 6.957 -6.663 0.80 0.00 C ATOM 459 CG AASN A 18 8.281 8.286 -7.696 0.20 0.00 C ATOM 460 CG BASN A 18 8.618 7.332 -6.723 0.80 0.00 C ATOM 461 OD1AASN A 18 8.533 9.378 -8.206 0.20 0.00 O ATOM 462 OD1BASN A 18 8.966 8.508 -6.842 0.80 0.00 O ATOM 463 ND2AASN A 18 9.194 7.330 -7.564 0.20 0.00 N ATOM 464 ND2BASN A 18 9.487 6.331 -6.643 0.80 0.00 N ATOM 0 H AASN A 18 4.378 6.962 -7.033 0.20 0.00 H new ATOM 0 H BASN A 18 4.752 6.553 -7.240 0.80 0.00 H new ATOM 0 HA AASN A 18 6.712 6.591 -8.819 0.20 0.00 H new ATOM 0 HA BASN A 18 7.200 6.523 -8.770 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.230 8.813 -7.385 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.549 7.864 -6.600 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.925 7.848 -6.098 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.961 6.386 -5.754 0.80 0.00 H new ATOM 0 HD21AASN A 18 10.147 7.486 -7.891 0.20 0.00 H new ATOM 0 HD21BASN A 18 10.488 6.521 -6.679 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.942 6.440 -7.135 0.20 0.00 H new ATOM 0 HD22BASN A 18 9.153 5.372 -6.545 0.80 0.00 H new ATOM 477 N ASER A 19 6.089 4.345 -7.304 0.20 0.00 N ATOM 478 N BSER A 19 6.425 3.992 -6.784 0.80 0.00 N ATOM 479 CA ASER A 19 6.374 3.104 -6.592 0.20 0.00 C ATOM 480 CA BSER A 19 6.713 2.589 -6.509 0.80 0.00 C ATOM 481 C ASER A 19 5.648 1.928 -7.239 0.20 0.00 C ATOM 482 C BSER A 19 5.652 1.685 -7.130 0.80 0.00 C ATOM 483 O ASER A 19 6.268 1.073 -7.872 0.20 0.00 O ATOM 484 O BSER A 19 5.944 0.884 -8.019 0.80 0.00 O ATOM 485 CB ASER A 19 5.960 3.229 -5.124 0.20 0.00 C ATOM 486 CB BSER A 19 6.786 2.346 -5.001 0.80 0.00 C ATOM 487 OG ASER A 19 7.088 3.166 -4.269 0.20 0.00 O ATOM 488 OG BSER A 19 5.579 2.725 -4.364 0.80 0.00 O ATOM 0 H ASER A 19 5.393 4.257 -8.044 0.20 0.00 H new ATOM 0 H BSER A 19 5.667 4.385 -6.225 0.80 0.00 H new ATOM 0 HA ASER A 19 7.447 2.920 -6.646 0.20 0.00 H new ATOM 0 HA BSER A 19 7.678 2.348 -6.955 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.435 4.172 -4.970 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.987 1.292 -4.809 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.262 2.431 -4.870 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.617 2.911 -4.578 0.80 0.00 H new ATOM 0 HG ASER A 19 7.689 3.914 -4.465 0.20 0.00 H new ATOM 0 HG BSER A 19 5.651 2.558 -3.401 0.80 0.00 H new ATOM 499 N AGLY A 20 4.328 1.891 -7.075 0.20 0.00 N ATOM 500 N BGLY A 20 4.418 1.820 -6.656 0.80 0.00 N ATOM 501 CA AGLY A 20 3.540 0.816 -7.648 0.20 0.00 C ATOM 502 CA BGLY A 20 3.330 1.011 -7.175 0.80 0.00 C ATOM 503 C AGLY A 20 2.529 0.254 -6.669 0.20 0.00 C ATOM 504 C BGLY A 20 2.591 0.264 -6.082 0.80 0.00 C ATOM 505 O AGLY A 20 1.458 -0.205 -7.068 0.20 0.00 O ATOM 506 O BGLY A 20 2.070 -0.828 -6.311 0.80 0.00 O ATOM 0 H AGLY A 20 3.792 2.586 -6.556 0.20 0.00 H new ATOM 0 H BGLY A 20 4.151 2.475 -5.921 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.020 1.183 -8.533 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.629 1.651 -7.711 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.205 0.018 -7.977 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.725 0.296 -7.897 0.80 0.00 H new ATOM 513 N AARG A 21 2.870 0.285 -5.386 0.20 0.00 N ATOM 514 N BARG A 21 2.546 0.854 -4.892 0.80 0.00 N ATOM 515 CA AARG A 21 1.985 -0.227 -4.347 0.20 0.00 C ATOM 516 CA BARG A 21 1.867 0.234 -3.759 0.80 0.00 C ATOM 517 C AARG A 21 0.618 0.448 -4.415 0.20 0.00 C ATOM 518 C BARG A 21 0.410 0.682 -3.688 0.80 0.00 C ATOM 519 O AARG A 21 0.381 1.310 -5.260 0.20 0.00 O ATOM 520 O BARG A 21 0.117 1.879 -3.675 0.80 0.00 O ATOM 521 CB AARG A 21 2.605 -0.011 -2.966 0.20 0.00 C ATOM 522 CB BARG A 21 2.585 0.586 -2.454 0.80 0.00 C ATOM 523 CG AARG A 21 4.042 -0.497 -2.860 0.20 0.00 C ATOM 524 CG BARG A 21 3.470 -0.530 -1.928 0.80 0.00 C ATOM 525 CD AARG A 21 4.974 0.618 -2.413 0.20 0.00 C ATOM 526 CD BARG A 21 4.803 0.005 -1.428 0.80 0.00 C ATOM 527 NE AARG A 21 4.507 1.265 -1.189 0.20 0.00 N ATOM 528 NE BARG A 21 4.636 1.171 -0.564 0.80 0.00 N ATOM 529 CZ AARG A 21 4.677 0.752 0.025 0.20 0.00 C ATOM 530 CZ BARG A 21 4.210 1.099 0.693 0.80 0.00 C ATOM 531 NH1AARG A 21 5.301 -0.409 0.176 0.20 0.00 N ATOM 532 NH1BARG A 21 3.908 -0.075 1.226 0.80 0.00 N ATOM 533 NH2AARG A 21 4.224 1.400 1.090 0.20 0.00 N ATOM 534 NH2BARG A 21 4.083 2.204 1.414 0.80 0.00 N ATOM 0 H AARG A 21 3.754 0.660 -5.040 0.20 0.00 H new ATOM 0 H BARG A 21 2.970 1.759 -4.687 0.80 0.00 H new ATOM 0 HA AARG A 21 1.851 -1.296 -4.514 0.20 0.00 H new ATOM 0 HA BARG A 21 1.890 -0.847 -3.899 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.571 1.051 -2.724 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.193 1.477 -2.612 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.000 -0.527 -2.221 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.842 0.837 -1.697 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.096 -1.324 -2.152 0.20 0.00 H new ATOM 0 HG2BARG A 21 2.959 -1.050 -1.118 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.370 -0.882 -3.826 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.643 -1.261 -2.717 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.972 0.212 -2.250 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.326 -0.779 -0.881 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.057 1.361 -3.206 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.429 0.272 -2.280 0.80 0.00 H new ATOM 0 HE AARG A 21 4.024 2.160 -1.271 0.20 0.00 H new ATOM 0 HE BARG A 21 4.858 2.090 -0.946 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.651 -0.910 -0.641 0.20 0.00 H new ATOM 0 HH11BARG A 21 4.002 -0.926 0.672 0.80 0.00 H new ATOM 0 HH12AARG A 21 5.430 -0.801 1.109 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.581 -0.128 2.191 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.744 2.293 0.978 0.20 0.00 H new ATOM 0 HH21BARG A 21 4.312 3.110 1.004 0.80 0.00 H new ATOM 0 HH22AARG A 21 4.355 1.005 2.021 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.756 2.149 2.379 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.278 0.048 -3.518 0.20 0.00 N ATOM 562 N BVAL A 22 -0.500 -0.285 -3.644 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.621 0.615 -3.475 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.926 0.008 -3.574 0.80 0.00 C ATOM 565 C AVAL A 22 -2.002 1.019 -2.056 0.20 0.00 C ATOM 566 C BVAL A 22 -2.317 0.505 -2.187 0.80 0.00 C ATOM 567 O AVAL A 22 -1.343 0.630 -1.091 0.20 0.00 O ATOM 568 O BVAL A 22 -1.850 -0.018 -1.173 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.668 -0.379 -4.014 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.774 -1.229 -3.922 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.624 -0.430 -5.533 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.253 -0.932 -3.745 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.444 -1.760 -3.418 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.479 -1.695 -5.340 0.80 0.00 C ATOM 0 H AVAL A 22 -0.098 -0.666 -2.812 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.275 -1.280 -3.656 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.611 1.500 -4.111 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.123 0.790 -4.307 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.659 -0.036 -3.716 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.508 -2.034 -3.237 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.370 -1.137 -5.895 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.835 -1.819 -3.996 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.836 0.560 -5.937 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.447 -0.652 -2.709 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.634 -0.749 -5.858 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.541 -0.111 -4.402 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.192 -2.450 -3.809 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.087 -2.570 -5.569 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.448 -2.114 -3.685 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.715 -0.895 -6.042 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.531 -1.707 -2.333 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.424 -1.954 -5.426 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.071 1.798 -1.934 0.20 0.00 N ATOM 594 N BTYR A 23 -3.175 1.518 -2.147 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.539 2.256 -0.632 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.629 2.086 -0.883 0.80 0.00 C ATOM 597 C ATYR A 23 -5.004 2.674 -0.696 0.20 0.00 C ATOM 598 C BTYR A 23 -5.062 2.596 -0.998 0.80 0.00 C ATOM 599 O ATYR A 23 -5.658 2.533 -1.731 0.20 0.00 O ATOM 600 O BTYR A 23 -5.660 2.568 -2.074 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.685 3.426 -0.141 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.705 3.224 -0.451 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.387 4.449 -1.213 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.721 4.408 -1.391 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.178 5.583 -1.358 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.668 5.416 -1.253 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.314 4.283 -2.081 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.791 4.521 -2.417 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.909 6.520 -2.337 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.689 6.499 -2.110 0.80 0.00 C ATOM 611 CE2ATYR A 23 -1.038 5.216 -3.061 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.804 5.601 -3.277 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.838 6.332 -3.185 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.753 6.587 -3.121 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.566 7.263 -4.162 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.769 7.664 -3.976 0.80 0.00 O ATOM 0 H ATYR A 23 -3.630 2.126 -2.722 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.570 1.963 -2.975 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.446 1.428 0.070 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.602 1.299 -0.130 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.198 3.917 0.686 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.995 3.558 0.545 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.745 3.039 0.252 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.686 2.844 -0.376 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -4.017 5.734 -0.694 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.400 5.351 -0.462 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.686 3.410 -1.987 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.045 3.751 -2.544 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.534 7.395 -2.438 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.433 7.272 -1.990 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.200 5.072 -3.727 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.073 5.672 -4.069 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.627 6.839 -5.044 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.044 7.574 -4.629 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.515 3.187 0.417 0.20 0.00 N ATOM 636 N BTYR A 24 -5.607 3.065 0.120 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.904 3.625 0.490 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.971 3.581 0.146 0.80 0.00 C ATOM 639 C ATYR A 24 -6.991 5.113 0.817 0.20 0.00 C ATOM 640 C BTYR A 24 -7.003 5.009 0.682 0.80 0.00 C ATOM 641 O ATYR A 24 -6.191 5.638 1.589 0.20 0.00 O ATOM 642 O BTYR A 24 -6.318 5.336 1.652 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.662 2.816 1.543 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.862 2.682 1.007 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.471 1.322 1.412 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.775 1.217 0.642 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.347 0.696 1.937 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.769 0.411 1.161 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.415 0.536 0.762 0.20 0.00 C ATOM 650 CD2BTYR A 24 -8.699 0.640 -0.219 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.168 -0.669 1.818 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.685 -0.928 0.830 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.244 -0.830 0.640 0.20 0.00 C ATOM 654 CE2BTYR A 24 -8.625 -0.700 -0.553 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.119 -1.427 1.170 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.616 -1.478 -0.025 0.80 0.00 C ATOM 657 OH ATYR A 24 -6.946 -2.787 1.049 0.20 0.00 O ATOM 658 OH BTYR A 24 -7.537 -2.812 -0.358 0.80 0.00 O ATOM 0 H ATYR A 24 -4.988 3.310 1.282 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.126 3.098 1.019 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.361 3.458 -0.485 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.350 3.587 -0.876 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.336 3.130 2.534 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.584 2.804 2.054 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.725 3.046 1.470 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.897 3.011 0.911 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.600 1.287 2.447 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.041 0.838 1.834 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.297 1.000 0.345 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -9.489 1.248 -0.635 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.288 -1.139 2.231 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -5.895 -1.540 1.239 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -8.987 -1.427 0.132 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -9.352 -1.134 -1.223 0.80 0.00 H new ATOM 0 HH ATYR A 24 -6.431 -3.121 1.813 0.20 0.00 H new ATOM 0 HH BTYR A 24 -8.269 -3.041 -0.969 0.80 0.00 H new ATOM 677 N APHE A 25 -7.970 5.787 0.221 0.20 0.00 N ATOM 678 N BPHE A 25 -7.803 5.856 0.042 0.80 0.00 N ATOM 679 CA APHE A 25 -8.163 7.214 0.447 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.926 7.250 0.452 0.80 0.00 C ATOM 681 C APHE A 25 -9.648 7.556 0.531 0.20 0.00 C ATOM 682 C BPHE A 25 -9.378 7.602 0.756 0.80 0.00 C ATOM 683 O APHE A 25 -10.400 7.332 -0.416 0.20 0.00 O ATOM 684 O BPHE A 25 -10.297 7.136 0.080 0.80 0.00 O ATOM 685 CB APHE A 25 -7.505 8.023 -0.672 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.382 8.175 -0.640 0.80 0.00 C ATOM 687 CG APHE A 25 -7.477 9.501 -0.408 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.755 9.616 -0.445 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.630 10.260 -0.519 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.533 10.276 -1.382 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.296 10.132 -0.048 0.20 0.00 C ATOM 692 CD2BPHE A 25 -7.328 10.309 0.675 0.80 0.00 C ATOM 693 CE1APHE A 25 -8.607 11.620 -0.275 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.877 11.604 -1.206 0.80 0.00 C ATOM 695 CE2APHE A 25 -6.268 11.492 0.197 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.670 11.637 0.857 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.424 12.235 0.082 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.445 12.285 -0.085 0.80 0.00 C ATOM 0 H APHE A 25 -8.641 5.367 -0.422 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.376 5.601 -0.763 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.694 7.472 1.397 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.340 7.388 1.361 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.484 7.668 -0.814 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.296 8.090 -0.669 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.039 7.839 -1.604 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.754 7.839 -1.608 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.558 9.784 -0.799 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -8.875 9.748 -2.260 0.80 0.00 H new ATOM 0 HD2APHE A 25 -5.388 9.554 0.042 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -6.721 9.807 1.414 0.80 0.00 H new ATOM 0 HE1APHE A 25 -9.513 12.201 -0.364 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.483 12.108 -1.945 0.80 0.00 H new ATOM 0 HE2APHE A 25 -5.342 11.972 0.478 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -7.331 12.167 1.735 0.80 0.00 H new ATOM 0 HZ APHE A 25 -7.404 13.298 0.271 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.713 13.322 0.055 0.80 0.00 H new ATOM 717 N AASN A 26 -10.060 8.098 1.672 0.20 0.00 N ATOM 718 N BASN A 26 -9.581 8.426 1.779 0.80 0.00 N ATOM 719 CA AASN A 26 -11.455 8.471 1.880 0.20 0.00 C ATOM 720 CA BASN A 26 -10.922 8.841 2.173 0.80 0.00 C ATOM 721 C AASN A 26 -11.735 9.868 1.333 0.20 0.00 C ATOM 722 C BASN A 26 -11.163 10.306 1.825 0.80 0.00 C ATOM 723 O AASN A 26 -10.990 10.812 1.605 0.20 0.00 O ATOM 724 O BASN A 26 -10.426 11.189 2.263 0.80 0.00 O ATOM 725 CB AASN A 26 -11.802 8.416 3.369 0.20 0.00 C ATOM 726 CB BASN A 26 -11.124 8.622 3.674 0.80 0.00 C ATOM 727 CG AASN A 26 -13.298 8.413 3.616 0.20 0.00 C ATOM 728 CG BASN A 26 -12.589 8.606 4.064 0.80 0.00 C ATOM 729 OD1AASN A 26 -14.043 9.160 2.980 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.414 9.276 3.443 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.744 7.573 4.541 0.20 0.00 N ATOM 732 ND2BASN A 26 -12.919 7.839 5.097 0.80 0.00 N ATOM 0 H AASN A 26 -9.449 8.289 2.466 0.20 0.00 H new ATOM 0 H BASN A 26 -8.833 8.820 2.350 0.80 0.00 H new ATOM 0 HA AASN A 26 -12.079 7.758 1.340 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.640 8.233 1.623 0.80 0.00 H new ATOM 0 HB2AASN A 26 -11.363 7.521 3.808 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.663 7.679 3.966 0.80 0.00 H new ATOM 0 HB3AASN A 26 -11.355 9.272 3.875 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.613 9.411 4.226 0.80 0.00 H new ATOM 0 HD21AASN A 26 -14.741 7.527 4.750 0.20 0.00 H new ATOM 0 HD21BASN A 26 -13.890 7.788 5.405 0.80 0.00 H new ATOM 0 HD22AASN A 26 -13.090 6.973 5.043 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.201 7.301 5.582 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.809 9.992 0.562 0.20 0.00 N ATOM 746 N BHIS A 27 -12.202 10.555 1.031 0.80 0.00 N ATOM 747 CA AHIS A 27 -13.187 11.273 -0.023 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.542 11.915 0.623 0.80 0.00 C ATOM 749 C AHIS A 27 -14.131 12.035 0.902 0.20 0.00 C ATOM 750 C BHIS A 27 -13.320 12.633 1.722 0.80 0.00 C ATOM 751 O AHIS A 27 -14.970 12.811 0.446 0.20 0.00 O ATOM 752 O BHIS A 27 -13.400 13.861 1.736 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.850 11.061 -1.384 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.360 11.892 -0.667 0.80 0.00 C ATOM 755 CG AHIS A 27 -15.255 10.550 -1.293 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.564 11.003 -0.596 0.80 0.00 C ATOM 757 ND1AHIS A 27 -16.189 10.735 -2.290 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.772 11.413 -0.069 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.884 9.857 -0.315 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.743 9.721 -0.989 0.80 0.00 C ATOM 761 CE1AHIS A 27 -17.333 10.179 -1.930 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.641 10.420 -0.142 0.80 0.00 C ATOM 763 NE2AHIS A 27 -17.173 9.637 -0.734 0.20 0.00 N ATOM 764 NE2BHIS A 27 -16.041 9.382 -0.696 0.80 0.00 N ATOM 0 H AHIS A 27 -13.434 9.221 0.327 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.821 9.835 0.659 0.80 0.00 H new ATOM 0 HA AHIS A 27 -12.281 11.864 -0.157 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.614 12.459 0.446 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.850 12.005 -1.930 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.681 12.907 -0.902 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -13.253 10.357 -1.964 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.722 11.561 -1.487 0.80 0.00 H new ATOM 0 HD1AHIS A 27 -16.023 11.225 -3.169 0.20 0.00 H new ATOM 0 HD2AHIS A 27 -15.452 9.536 0.621 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -14.003 9.083 -1.448 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -18.242 10.169 -2.513 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.667 10.452 0.194 0.80 0.00 H new ATOM 0 HE2BHIS A 27 -16.472 8.475 -0.877 0.80 0.00 H new ATOM 779 N AILE A 28 -13.986 11.808 2.203 0.20 0.00 N ATOM 780 N BILE A 28 -13.887 11.859 2.640 0.80 0.00 N ATOM 781 CA AILE A 28 -14.825 12.473 3.192 0.20 0.00 C ATOM 782 CA BILE A 28 -14.658 12.422 3.741 0.80 0.00 C ATOM 783 C AILE A 28 -13.985 13.293 4.164 0.20 0.00 C ATOM 784 C BILE A 28 -13.745 12.879 4.873 0.80 0.00 C ATOM 785 O AILE A 28 -14.366 14.399 4.555 0.20 0.00 O ATOM 786 O BILE A 28 -13.899 13.979 5.406 0.80 0.00 O ATOM 787 CB AILE A 28 -15.669 11.461 3.989 0.20 0.00 C ATOM 788 CB BILE A 28 -15.673 11.405 4.296 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.703 10.796 3.077 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.673 11.005 3.207 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.353 12.146 5.162 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.400 11.984 5.501 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.833 11.716 2.674 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.736 10.042 3.687 0.80 0.00 C ATOM 0 H AILE A 28 -13.296 11.169 2.597 0.20 0.00 H new ATOM 0 H BILE A 28 -13.827 10.841 2.644 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.492 13.137 2.642 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.197 13.281 3.342 0.80 0.00 H new ATOM 0 HB AILE A 28 -15.007 10.689 4.381 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.134 10.513 4.616 0.80 0.00 H new ATOM 0 HG12AILE A 28 -16.203 10.433 2.179 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.155 11.903 2.821 0.80 0.00 H new ATOM 0 HG13AILE A 28 -17.118 9.926 3.585 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.132 10.552 2.377 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.945 11.416 5.714 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.114 11.253 5.881 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.600 12.576 5.822 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.677 12.225 6.281 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.005 12.937 4.792 0.20 0.00 H new ATOM 0 HG23BILE A 28 -16.931 12.889 5.205 0.80 0.00 H new ATOM 0 HD11AILE A 28 -18.527 11.178 2.029 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.409 9.803 2.863 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.358 12.060 3.565 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.263 9.128 4.047 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.429 12.574 2.137 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.303 10.500 4.497 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.835 12.748 4.552 0.20 0.00 N ATOM 818 N BTHR A 29 -12.790 12.029 5.238 0.80 0.00 N ATOM 819 CA ATHR A 29 -11.940 13.427 5.477 0.20 0.00 C ATOM 820 CA BTHR A 29 -11.851 12.346 6.306 0.80 0.00 C ATOM 821 C ATHR A 29 -10.533 13.536 4.902 0.20 0.00 C ATOM 822 C BTHR A 29 -10.588 12.993 5.752 0.80 0.00 C ATOM 823 O ATHR A 29 -9.553 13.611 5.641 0.20 0.00 O ATOM 824 O BTHR A 29 -9.837 13.638 6.484 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.874 12.699 6.833 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.462 11.085 7.103 0.80 0.00 C ATOM 827 OG1ATHR A 29 -11.083 11.512 6.711 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.540 9.929 6.261 0.80 0.00 O ATOM 829 CG2ATHR A 29 -13.268 12.339 7.323 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.371 10.904 8.308 0.80 0.00 C ATOM 0 H ATHR A 29 -12.503 11.836 4.238 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.647 11.115 4.809 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.345 14.427 5.630 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.353 13.048 6.972 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.414 13.369 7.560 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.438 11.207 7.456 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -11.044 11.055 7.577 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.290 9.133 6.775 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -13.195 11.826 8.282 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.077 10.008 8.854 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -13.858 13.248 7.441 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.286 11.772 8.962 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.751 11.685 6.597 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.403 10.802 7.973 0.80 0.00 H new ATOM 845 N AASN A 30 -10.440 13.544 3.575 0.20 0.00 N ATOM 846 N BASN A 30 -10.357 12.821 4.454 0.80 0.00 N ATOM 847 CA AASN A 30 -9.151 13.643 2.900 0.20 0.00 C ATOM 848 CA BASN A 30 -9.183 13.389 3.803 0.80 0.00 C ATOM 849 C AASN A 30 -8.092 12.820 3.625 0.20 0.00 C ATOM 850 C BASN A 30 -7.902 12.761 4.346 0.80 0.00 C ATOM 851 O AASN A 30 -6.972 13.281 3.839 0.20 0.00 O ATOM 852 O BASN A 30 -6.989 13.464 4.774 0.80 0.00 O ATOM 853 CB AASN A 30 -8.708 15.106 2.816 0.20 0.00 C ATOM 854 CB BASN A 30 -9.146 14.905 4.006 0.80 0.00 C ATOM 855 CG AASN A 30 -9.088 15.897 4.052 0.20 0.00 C ATOM 856 CG BASN A 30 -8.534 15.631 2.825 0.80 0.00 C ATOM 857 OD1AASN A 30 -8.285 16.057 4.972 0.20 0.00 O ATOM 858 OD1BASN A 30 -9.192 16.436 2.166 0.80 0.00 O ATOM 859 ND2AASN A 30 -10.318 16.397 4.079 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.264 15.349 2.551 0.80 0.00 N ATOM 0 H AASN A 30 -11.242 13.483 2.947 0.20 0.00 H new ATOM 0 H BASN A 30 -10.969 12.292 3.832 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.265 13.246 1.891 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.249 13.173 2.737 0.80 0.00 H new ATOM 0 HB2AASN A 30 -7.627 15.148 2.679 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.159 15.272 4.169 0.80 0.00 H new ATOM 0 HB3AASN A 30 -9.159 15.569 1.939 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.575 15.135 4.906 0.80 0.00 H new ATOM 0 HD21AASN A 30 -10.631 16.939 4.885 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.797 15.807 1.768 0.80 0.00 H new ATOM 0 HD22AASN A 30 -10.950 16.239 3.294 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.756 14.675 3.124 0.80 0.00 H new ATOM 873 N AALA A 31 -8.456 11.598 4.001 0.20 0.00 N ATOM 874 N BALA A 31 -7.845 11.433 4.320 0.80 0.00 N ATOM 875 CA AALA A 31 -7.536 10.709 4.701 0.20 0.00 C ATOM 876 CA BALA A 31 -6.675 10.711 4.807 0.80 0.00 C ATOM 877 C AALA A 31 -6.890 9.720 3.736 0.20 0.00 C ATOM 878 C BALA A 31 -6.519 9.375 4.090 0.80 0.00 C ATOM 879 O AALA A 31 -7.330 9.571 2.597 0.20 0.00 O ATOM 880 O BALA A 31 -7.499 8.792 3.623 0.80 0.00 O ATOM 881 CB AALA A 31 -8.263 9.966 5.813 0.20 0.00 C ATOM 882 CB BALA A 31 -6.775 10.498 6.311 0.80 0.00 C ATOM 0 H AALA A 31 -9.381 11.201 3.833 0.20 0.00 H new ATOM 0 H BALA A 31 -8.594 10.836 3.968 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.746 11.317 5.142 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.791 11.313 4.595 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.564 9.306 6.327 0.20 0.00 H new ATOM 0 HB1BALA A 31 -5.895 9.958 6.661 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.673 10.684 6.523 0.20 0.00 H new ATOM 0 HB2BALA A 31 -6.831 11.464 6.812 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.073 9.375 5.386 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.670 9.919 6.538 0.80 0.00 H new ATOM 893 N ASER A 32 -5.842 9.047 4.202 0.20 0.00 N ATOM 894 N BSER A 32 -5.284 8.894 4.005 0.80 0.00 N ATOM 895 CA ASER A 32 -5.131 8.074 3.379 0.20 0.00 C ATOM 896 CA BSER A 32 -4.999 7.627 3.341 0.80 0.00 C ATOM 897 C ASER A 32 -4.489 6.996 4.245 0.20 0.00 C ATOM 898 C BSER A 32 -4.233 6.688 4.268 0.80 0.00 C ATOM 899 O ASER A 32 -3.357 7.147 4.707 0.20 0.00 O ATOM 900 O BSER A 32 -3.490 7.133 5.144 0.80 0.00 O ATOM 901 CB ASER A 32 -4.061 8.773 2.536 0.20 0.00 C ATOM 902 CB BSER A 32 -4.197 7.867 2.062 0.80 0.00 C ATOM 903 OG ASER A 32 -3.969 8.195 1.247 0.20 0.00 O ATOM 904 OG BSER A 32 -3.957 6.652 1.375 0.80 0.00 O ATOM 0 H ASER A 32 -5.467 9.157 5.144 0.20 0.00 H new ATOM 0 H BSER A 32 -4.463 9.363 4.388 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.853 7.599 2.715 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.949 7.158 3.083 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.299 9.833 2.446 0.20 0.00 H new ATOM 0 HB2BSER A 32 -4.739 8.554 1.413 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.096 8.705 3.038 0.20 0.00 H new ATOM 0 HB3BSER A 32 -3.248 8.343 2.308 0.80 0.00 H new ATOM 0 HG ASER A 32 -3.280 8.660 0.728 0.20 0.00 H new ATOM 0 HG BSER A 32 -3.823 6.836 0.422 0.80 0.00 H new ATOM 915 N AGLN A 33 -5.218 5.906 4.460 0.20 0.00 N ATOM 916 N BGLN A 33 -4.419 5.388 4.068 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.721 4.802 5.270 0.20 0.00 C ATOM 918 CA BGLN A 33 -3.745 4.385 4.884 0.80 0.00 C ATOM 919 C AGLN A 33 -4.078 3.730 4.397 0.20 0.00 C ATOM 920 C BGLN A 33 -3.568 3.083 4.112 0.80 0.00 C ATOM 921 O AGLN A 33 -4.493 3.513 3.258 0.20 0.00 O ATOM 922 O BGLN A 33 -4.456 2.663 3.371 0.80 0.00 O ATOM 923 CB AGLN A 33 -5.858 4.192 6.092 0.20 0.00 C ATOM 924 CB BGLN A 33 -4.536 4.128 6.167 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.482 2.888 6.777 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.946 3.613 5.921 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.635 2.282 7.553 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.765 3.521 7.193 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.912 2.677 8.686 0.20 0.00 O ATOM 930 OE1BGLN A 33 -7.296 2.463 7.529 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.318 1.318 6.945 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.871 4.634 7.910 0.80 0.00 N ATOM 0 H AGLN A 33 -6.155 5.764 4.084 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.031 5.004 3.348 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.963 5.196 5.947 0.20 0.00 H new ATOM 0 HA BGLN A 33 -2.758 4.767 5.144 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -6.175 4.911 6.847 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -3.996 3.405 6.778 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -6.713 4.016 5.439 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -4.591 5.053 6.741 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -5.139 2.175 6.028 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -6.451 4.272 5.215 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -4.647 3.066 7.454 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -5.893 2.629 5.456 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -7.055 1.021 6.005 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.414 5.490 7.594 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.106 0.875 7.418 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.409 4.633 8.776 0.80 0.00 H new ATOM 949 N APHE A 34 -3.064 3.063 4.935 0.20 0.00 N ATOM 950 N BPHE A 34 -2.414 2.447 4.291 0.80 0.00 N ATOM 951 CA APHE A 34 -2.362 2.015 4.204 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.120 1.191 3.609 0.80 0.00 C ATOM 953 C APHE A 34 -3.019 0.657 4.436 0.20 0.00 C ATOM 954 C BPHE A 34 -2.891 0.036 4.240 0.80 0.00 C ATOM 955 O APHE A 34 -3.091 -0.172 3.530 0.20 0.00 O ATOM 956 O BPHE A 34 -3.274 -0.914 3.557 0.80 0.00 O ATOM 957 CB APHE A 34 -0.894 1.963 4.628 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.618 0.902 3.654 0.80 0.00 C ATOM 959 CG APHE A 34 0.043 2.569 3.621 0.20 0.00 C ATOM 960 CG BPHE A 34 0.228 2.044 3.169 0.80 0.00 C ATOM 961 CD1APHE A 34 0.888 3.608 3.978 0.20 0.00 C ATOM 962 CD1BPHE A 34 1.017 2.764 4.051 0.80 0.00 C ATOM 963 CD2APHE A 34 0.078 2.101 2.318 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.232 2.399 1.829 0.80 0.00 C ATOM 965 CE1APHE A 34 1.751 4.167 3.055 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.797 3.815 3.608 0.80 0.00 C ATOM 967 CE2APHE A 34 0.939 2.655 1.389 0.20 0.00 C ATOM 968 CE2BPHE A 34 1.012 3.448 1.381 0.80 0.00 C ATOM 969 CZ APHE A 34 1.775 3.692 1.759 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.792 4.159 2.269 0.80 0.00 C ATOM 0 H APHE A 34 -2.709 3.230 5.877 0.20 0.00 H new ATOM 0 H BPHE A 34 -1.668 2.780 4.902 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.417 2.249 3.141 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.433 1.288 2.570 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.780 2.484 5.578 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.334 0.659 4.678 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.610 0.925 4.798 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.407 0.021 3.047 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.872 3.985 4.990 0.20 0.00 H new ATOM 0 HD1BPHE A 34 1.023 2.500 5.098 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.576 1.293 2.024 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.380 1.851 1.129 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.406 4.975 3.347 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.409 4.367 4.306 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.958 2.279 0.377 0.20 0.00 H new ATOM 0 HE2BPHE A 34 1.011 3.712 0.334 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.446 4.130 1.035 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.397 4.982 1.919 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.495 0.439 5.658 0.20 0.00 N ATOM 990 N BGLU A 35 -3.116 0.126 5.547 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.145 -0.820 6.010 0.20 0.00 C ATOM 992 CA BGLU A 35 -3.840 -0.913 6.270 0.80 0.00 C ATOM 993 C AGLU A 35 -5.506 -0.938 5.330 0.20 0.00 C ATOM 994 C BGLU A 35 -5.338 -0.821 5.997 0.80 0.00 C ATOM 995 O AGLU A 35 -6.057 0.051 4.845 0.20 0.00 O ATOM 996 O BGLU A 35 -6.020 0.070 6.505 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.307 -0.927 7.528 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.577 -0.798 7.774 0.80 0.00 C ATOM 999 CG AGLU A 35 -3.094 -0.447 8.306 0.20 0.00 C ATOM 1000 CG BGLU A 35 -4.020 -2.017 8.564 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.053 -0.998 9.719 0.20 0.00 C ATOM 1002 CD BGLU A 35 -3.765 -1.872 10.052 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.527 -2.114 9.906 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.834 -2.893 10.767 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -3.547 -0.310 10.638 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -3.496 -0.737 10.500 0.80 0.00 O ATOM 0 H AGLU A 35 -3.443 1.115 6.420 0.20 0.00 H new ATOM 0 H BGLU A 35 -2.808 0.907 6.126 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.514 -1.637 5.661 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.482 -1.881 5.919 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -5.177 -0.346 7.834 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -2.511 -0.638 7.937 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -4.509 -1.965 7.791 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.094 0.081 8.159 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -2.188 -0.743 7.778 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -5.083 -2.187 8.396 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -3.099 0.642 8.345 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -3.494 -2.897 8.193 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.041 -2.154 5.301 0.20 0.00 N ATOM 1020 N BARG A 36 -5.846 -1.749 5.190 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.337 -2.402 4.680 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.262 -1.773 4.847 0.80 0.00 C ATOM 1023 C AARG A 36 -8.474 -2.014 5.620 0.20 0.00 C ATOM 1024 C BARG A 36 -8.125 -1.791 6.105 0.80 0.00 C ATOM 1025 O AARG A 36 -8.643 -2.584 6.697 0.20 0.00 O ATOM 1026 O BARG A 36 -7.855 -2.516 7.063 0.80 0.00 O ATOM 1027 CB AARG A 36 -7.465 -3.875 4.289 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.579 -2.992 3.981 0.80 0.00 C ATOM 1029 CG AARG A 36 -8.668 -4.169 3.410 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.046 -3.102 3.596 0.80 0.00 C ATOM 1031 CD AARG A 36 -8.860 -5.666 3.211 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.403 -4.516 3.167 0.80 0.00 C ATOM 1033 NE AARG A 36 -8.625 -6.069 1.827 0.20 0.00 N ATOM 1034 NE BARG A 36 -8.480 -5.032 2.159 0.80 0.00 N ATOM 1035 CZ AARG A 36 -8.339 -7.312 1.463 0.20 0.00 C ATOM 1036 CZ BARG A 36 -8.460 -6.300 1.762 0.80 0.00 C ATOM 1037 NH1AARG A 36 -8.256 -8.272 2.375 0.20 0.00 N ATOM 1038 NH1BARG A 36 -9.308 -7.175 2.283 0.80 0.00 N ATOM 1039 NH2AARG A 36 -8.137 -7.602 0.183 0.20 0.00 N ATOM 1040 NH2BARG A 36 -7.591 -6.693 0.839 0.80 0.00 N ATOM 0 H AARG A 36 -5.598 -2.982 5.700 0.20 0.00 H new ATOM 0 H BARG A 36 -5.296 -2.494 4.762 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.405 -1.787 3.783 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.489 -0.868 4.284 0.80 0.00 H new ATOM 0 HB2AARG A 36 -6.560 -4.183 3.766 0.20 0.00 H new ATOM 0 HB2BARG A 36 -6.976 -2.949 3.074 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.531 -4.478 5.195 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.284 -3.894 4.517 0.80 0.00 H new ATOM 0 HG2AARG A 36 -9.564 -3.743 3.862 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.668 -2.809 4.441 0.80 0.00 H new ATOM 0 HG3AARG A 36 -8.539 -3.686 2.442 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.264 -2.408 2.784 0.80 0.00 H new ATOM 0 HD2AARG A 36 -8.180 -6.209 3.867 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.393 -5.172 4.037 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.873 -5.943 3.502 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.418 -4.529 2.770 0.80 0.00 H new ATOM 0 HE AARG A 36 -8.684 -5.355 1.101 0.20 0.00 H new ATOM 0 HE BARG A 36 -7.815 -4.384 1.737 0.80 0.00 H new ATOM 0 HH11AARG A 36 -8.412 -8.055 3.359 0.20 0.00 H new ATOM 0 HH11BARG A 36 -9.979 -6.876 2.991 0.80 0.00 H new ATOM 0 HH12AARG A 36 -8.036 -9.227 2.092 0.20 0.00 H new ATOM 0 HH12BARG A 36 -9.290 -8.148 1.976 0.80 0.00 H new ATOM 0 HH21AARG A 36 -8.202 -6.868 -0.523 0.20 0.00 H new ATOM 0 HH21BARG A 36 -6.938 -6.022 0.434 0.80 0.00 H new ATOM 0 HH22AARG A 36 -7.917 -8.559 -0.095 0.20 0.00 H new ATOM 0 HH22BARG A 36 -7.576 -7.666 0.534 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.273 -1.020 5.204 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.189 -0.975 6.106 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.407 -0.533 5.994 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.115 -0.879 7.238 0.80 0.00 C ATOM 1071 C APRO A 37 -11.543 -1.548 6.064 0.20 0.00 C ATOM 1072 C BPRO A 37 -10.958 -2.140 7.406 0.80 0.00 C ATOM 1073 O APRO A 37 -12.196 -1.835 5.062 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.009 -2.987 6.515 0.80 0.00 O ATOM 1075 CB APRO A 37 -10.856 0.720 5.237 0.20 0.00 C ATOM 1076 CB BPRO A 37 -11.003 0.313 6.873 0.80 0.00 C ATOM 1077 CG APRO A 37 -10.405 0.495 3.834 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.949 0.382 5.386 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.129 -0.296 3.930 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.573 -0.083 4.997 0.80 0.00 C ATOM 0 HA APRO A 37 -10.129 -0.344 7.031 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.589 -0.760 8.185 0.80 0.00 H new ATOM 0 HB2APRO A 37 -11.937 0.849 5.290 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -12.024 0.169 7.226 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.407 1.620 5.658 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -10.636 1.234 7.326 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.159 -0.048 3.264 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.715 -0.251 4.938 0.80 0.00 H new ATOM 0 HG3APRO A 37 -10.239 1.442 3.321 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -11.130 1.398 5.036 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.016 -0.980 3.089 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.581 -0.609 4.042 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.253 0.353 3.933 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.880 0.752 4.895 0.80 0.00 H new ATOM 1095 N ASER A 38 -11.775 -2.089 7.256 0.20 0.00 N ATOM 1096 N BSER A 38 -11.616 -2.256 8.555 0.80 0.00 N ATOM 1097 CA ASER A 38 -12.829 -3.076 7.457 0.20 0.00 C ATOM 1098 CA BSER A 38 -12.455 -3.414 8.840 0.80 0.00 C ATOM 1099 C ASER A 38 -14.196 -2.485 7.120 0.20 0.00 C ATOM 1100 C BSER A 38 -13.917 -3.121 8.516 0.80 0.00 C ATOM 1101 O ASER A 38 -14.292 -1.380 6.589 0.20 0.00 O ATOM 1102 O BSER A 38 -14.763 -3.058 9.409 0.80 0.00 O ATOM 1103 CB ASER A 38 -12.820 -3.576 8.902 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.318 -3.819 10.309 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.611 -4.744 9.041 0.20 0.00 O ATOM 1106 OG BSER A 38 -12.689 -2.756 11.169 0.80 0.00 O ATOM 0 H ASER A 38 -11.246 -1.860 8.098 0.20 0.00 H new ATOM 0 H BSER A 38 -11.584 -1.563 9.303 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.639 -3.916 6.789 0.20 0.00 H new ATOM 0 HA BSER A 38 -12.120 -4.238 8.209 0.80 0.00 H new ATOM 0 HB2ASER A 38 -11.796 -3.787 9.211 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.944 -4.688 10.509 0.80 0.00 H new ATOM 0 HB3ASER A 38 -13.198 -2.796 9.563 0.20 0.00 H new ATOM 0 HB3BSER A 38 -11.289 -4.114 10.513 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.588 -5.046 9.973 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.603 -2.470 10.961 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.249 -3.231 7.435 0.20 0.00 N ATOM 1118 N BGLY A 39 -14.207 -2.939 7.231 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.596 -2.767 7.158 0.20 0.00 C ATOM 1120 CA BGLY A 39 -15.567 -2.655 6.811 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.288 -3.593 6.092 0.20 0.00 C ATOM 1122 C BGLY A 39 -16.565 -3.657 7.356 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.009 -3.444 4.903 0.20 0.00 O ATOM 1124 O BGLY A 39 -16.153 -4.717 7.825 0.80 0.00 O ATOM 0 H AGLY A 39 -15.194 -4.149 7.877 0.20 0.00 H new ATOM 0 H BGLY A 39 -13.525 -2.983 6.474 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -17.183 -2.799 8.076 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -15.844 -1.654 7.142 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.559 -1.725 6.839 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -15.615 -2.655 5.722 0.80 0.00 H new TER 1131 GLY A 39