USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=22 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= 0.574 K(o=-3.2,f=-15!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -1.79 K(o=-3.2,f=-14!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot 180:sc= -2.02 USER MOD Set 2.1: A 13 LYS NZ A:NH3+ -151:sc= 0 (180deg=-0.0136) USER MOD Set 2.2: A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot -12:sc= 0.652 USER MOD Single : A 5 SER OG B: rot -19:sc= 0.381 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+ -137:sc= -0.54 (180deg=-2.95!) USER MOD Single : A 15 MET CE A:methyl -139:sc= -0.686 (180deg=-3.62!) USER MOD Single : A 15 MET CE B:methyl -118:sc= 0 (180deg=-0.117) 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= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.204 K(o=-0.2,f=-2.3!) USER MOD Single : A 19 SER OG A: rot 60:sc= 0.0466 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.119 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= -0.0151 USER MOD Single : A 27 HIS A: no HE2:sc= -2.87 K(o=-2.9,f=-1.5) USER MOD Single : A 27 HIS B: no HE2:sc= -1.72 K(o=-1.7,f=-2.4) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.66 K(o=0.66,f=-0.043) USER MOD Single : A 32 SER OG A: rot -36:sc= -0.0168 USER MOD Single : A 32 SER OG B: rot 1:sc= 0.467 USER MOD Single : A 33 GLN A: amide:sc= -1.14 K(o=-1.1,f=-3.5!) USER MOD Single : A 33 GLN B: amide:sc= 0.963 K(o=0.96,f=-0.0013) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0931 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.854 -6.353 -5.208 0.20 0.00 N ATOM 2 N BSER A 5 -13.515 -6.594 -4.265 0.80 0.00 N ATOM 3 CA ASER A 5 -12.870 -5.053 -4.549 0.20 0.00 C ATOM 4 CA BSER A 5 -13.510 -5.144 -4.119 0.80 0.00 C ATOM 5 C ASER A 5 -14.174 -4.845 -3.784 0.20 0.00 C ATOM 6 C BSER A 5 -14.643 -4.686 -3.205 0.80 0.00 C ATOM 7 O ASER A 5 -15.238 -4.685 -4.381 0.20 0.00 O ATOM 8 O BSER A 5 -15.249 -3.636 -3.426 0.80 0.00 O ATOM 9 CB ASER A 5 -12.682 -3.933 -5.575 0.20 0.00 C ATOM 10 CB BSER A 5 -13.640 -4.472 -5.487 0.80 0.00 C ATOM 11 OG ASER A 5 -13.114 -4.344 -6.860 0.20 0.00 O ATOM 12 OG BSER A 5 -14.545 -5.175 -6.318 0.80 0.00 O ATOM 0 HA ASER A 5 -12.045 -5.026 -3.838 0.20 0.00 H new ATOM 0 HA BSER A 5 -12.562 -4.852 -3.668 0.80 0.00 H new ATOM 0 HB2ASER A 5 -13.243 -3.052 -5.264 0.20 0.00 H new ATOM 0 HB2BSER A 5 -13.982 -3.445 -5.360 0.80 0.00 H new ATOM 0 HB3ASER A 5 -11.632 -3.645 -5.616 0.20 0.00 H new ATOM 0 HB3BSER A 5 -12.662 -4.426 -5.967 0.80 0.00 H new ATOM 0 HG ASER A 5 -13.260 -5.313 -6.862 0.20 0.00 H new ATOM 0 HG BSER A 5 -14.668 -6.084 -5.972 0.80 0.00 H new ATOM 23 N ALYS A 6 -14.082 -4.848 -2.458 0.20 0.00 N ATOM 24 N BLYS A 6 -14.923 -5.481 -2.179 0.80 0.00 N ATOM 25 CA ALYS A 6 -15.252 -4.658 -1.611 0.20 0.00 C ATOM 26 CA BLYS A 6 -15.983 -5.158 -1.229 0.80 0.00 C ATOM 27 C ALYS A 6 -14.935 -3.727 -0.444 0.20 0.00 C ATOM 28 C BLYS A 6 -15.481 -4.190 -0.162 0.80 0.00 C ATOM 29 O ALYS A 6 -14.365 -4.148 0.562 0.20 0.00 O ATOM 30 O BLYS A 6 -15.483 -4.506 1.027 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.746 -6.007 -1.079 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.508 -6.434 -0.567 0.80 0.00 C ATOM 33 CG ALYS A 6 -16.670 -6.738 -2.040 0.20 0.00 C ATOM 34 CG BLYS A 6 -16.796 -7.557 -1.551 0.80 0.00 C ATOM 35 CD ALYS A 6 -17.066 -8.102 -1.503 0.20 0.00 C ATOM 36 CD BLYS A 6 -17.187 -8.838 -0.836 0.80 0.00 C ATOM 37 CE ALYS A 6 -16.760 -9.205 -2.504 0.20 0.00 C ATOM 38 CE BLYS A 6 -15.992 -9.477 -0.144 0.80 0.00 C ATOM 39 NZ ALYS A 6 -17.138 -10.549 -1.982 0.20 0.00 N ATOM 40 NZ BLYS A 6 -16.362 -10.747 0.540 0.80 0.00 N ATOM 0 H ALYS A 6 -13.209 -4.980 -1.948 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.432 -6.353 -1.983 0.80 0.00 H new ATOM 0 HA ALYS A 6 -16.036 -4.201 -2.215 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.794 -4.679 -1.777 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.885 -6.640 -0.863 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -15.777 -6.781 0.164 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -16.269 -5.847 -0.136 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.421 -6.200 -0.019 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -17.565 -6.140 -2.212 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.599 -7.255 -2.224 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -16.175 -6.855 -3.004 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -15.915 -7.737 -2.167 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -16.534 -8.296 -0.572 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -17.963 -8.623 -0.101 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -18.130 -8.107 -1.269 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -17.612 -9.541 -1.553 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -17.297 -9.012 -3.433 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -15.210 -9.674 -0.877 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -15.697 -9.194 -2.743 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -15.578 -8.779 0.584 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -16.914 -11.273 -2.694 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -15.521 -11.152 0.999 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -16.607 -10.745 -1.110 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -17.090 -10.556 1.257 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -18.158 -10.568 -1.778 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -16.733 -11.422 -0.159 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.310 -2.460 -0.588 0.20 0.00 N ATOM 68 N BLEU A 7 -15.056 -3.008 -0.596 0.80 0.00 N ATOM 69 CA ALEU A 7 -15.067 -1.470 0.454 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.553 -1.992 0.322 0.80 0.00 C ATOM 71 C ALEU A 7 -16.330 -0.670 0.751 0.20 0.00 C ATOM 72 C BLEU A 7 -15.703 -1.230 0.972 0.80 0.00 C ATOM 73 O ALEU A 7 -17.216 -0.524 -0.093 0.20 0.00 O ATOM 74 O BLEU A 7 -16.807 -1.142 0.434 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.939 -0.525 0.034 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.635 -1.017 -0.418 0.80 0.00 C ATOM 77 CG ALEU A 7 -13.025 -1.025 -1.085 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.135 -1.302 -0.320 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.101 0.085 -1.557 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.841 -2.745 -0.699 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.221 -2.231 -0.616 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.352 -0.345 -1.206 0.80 0.00 C ATOM 0 H ALEU A 7 -15.783 -2.095 -1.415 0.20 0.00 H new ATOM 0 H BLEU A 7 -15.050 -2.730 -1.577 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.772 -1.999 1.361 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.984 -2.494 1.105 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.382 0.420 -0.281 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.916 -1.013 -1.471 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.325 -0.313 0.909 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.820 -0.013 -0.035 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.646 -1.332 -1.927 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.821 -1.148 0.712 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.458 -0.290 -2.353 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.769 -2.930 -0.624 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.695 0.918 -1.933 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.373 -3.414 -0.023 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.485 0.425 -0.724 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.169 -2.927 -1.722 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.576 -2.575 -1.424 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.287 -0.562 -1.124 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.610 -1.950 0.242 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.668 -0.467 -2.242 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.901 -3.033 -0.329 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.539 0.681 -0.888 0.80 0.00 H new ATOM 105 N APRO A 8 -16.419 -0.137 1.980 0.20 0.00 N ATOM 106 N BPRO A 8 -15.441 -0.663 2.160 0.80 0.00 N ATOM 107 CA APRO A 8 -17.571 0.660 2.414 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.440 0.104 2.909 0.80 0.00 C ATOM 109 C APRO A 8 -17.637 2.013 1.716 0.20 0.00 C ATOM 110 C BPRO A 8 -16.775 1.433 2.238 0.80 0.00 C ATOM 111 O APRO A 8 -16.705 2.432 1.030 0.20 0.00 O ATOM 112 O BPRO A 8 -16.099 1.872 1.308 0.80 0.00 O ATOM 113 CB APRO A 8 -17.327 0.845 3.915 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.763 0.344 4.260 0.80 0.00 C ATOM 115 CG APRO A 8 -15.852 0.718 4.077 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.304 0.276 3.971 0.80 0.00 C ATOM 117 CD APRO A 8 -15.403 -0.269 3.036 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.149 -0.726 2.860 0.80 0.00 C ATOM 0 HA APRO A 8 -18.517 0.172 2.177 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.390 -0.426 2.980 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.681 1.818 4.257 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.039 1.313 4.674 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.856 0.091 4.498 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.057 -0.410 4.990 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.360 1.681 3.939 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.919 1.251 3.674 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.598 0.371 5.079 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.745 -0.031 4.855 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.405 -0.035 2.665 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.321 -0.468 2.199 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.366 -1.283 3.433 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -13.950 -1.726 3.246 0.80 0.00 H new ATOM 133 N APRO A 9 -18.766 2.716 1.892 0.20 0.00 N ATOM 134 N BPRO A 9 -17.842 2.088 2.718 0.80 0.00 N ATOM 135 CA APRO A 9 -18.981 4.034 1.285 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.288 3.375 2.180 0.80 0.00 C ATOM 137 C APRO A 9 -18.099 5.109 1.909 0.20 0.00 C ATOM 138 C BPRO A 9 -17.322 4.508 2.508 0.80 0.00 C ATOM 139 O APRO A 9 -18.364 5.581 3.014 0.20 0.00 O ATOM 140 O BPRO A 9 -16.843 4.622 3.638 0.80 0.00 O ATOM 141 CB APRO A 9 -20.457 4.321 1.572 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.632 3.603 2.873 0.80 0.00 C ATOM 143 CG APRO A 9 -20.768 3.518 2.788 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.545 2.822 4.139 0.80 0.00 C ATOM 145 CD APRO A 9 -19.920 2.278 2.696 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.693 1.621 3.826 0.80 0.00 C ATOM 0 HA APRO A 9 -18.730 4.040 0.224 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.350 3.361 1.092 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.628 5.384 1.745 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.800 4.661 3.072 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.088 4.029 0.732 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.460 3.260 2.253 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.541 4.079 3.694 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.101 3.419 4.936 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.827 3.264 2.827 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.535 2.520 4.480 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.614 1.926 3.681 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.099 1.314 4.687 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.456 1.459 2.217 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.299 0.763 3.534 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.046 5.493 1.193 0.20 0.00 N ATOM 162 N BGLY A 10 -17.037 5.346 1.516 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.140 6.511 1.693 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.129 6.459 1.721 0.80 0.00 C ATOM 165 C AGLY A 10 -14.696 6.226 1.338 0.20 0.00 C ATOM 166 C BGLY A 10 -14.676 6.057 1.570 0.80 0.00 C ATOM 167 O AGLY A 10 -13.886 7.146 1.210 0.20 0.00 O ATOM 168 O BGLY A 10 -13.813 6.533 2.310 0.80 0.00 O ATOM 0 H AGLY A 10 -16.804 5.117 0.276 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.419 5.274 0.573 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.427 7.480 1.285 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.360 7.249 1.006 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.238 6.580 2.776 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.286 6.874 2.717 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.367 4.949 1.179 0.20 0.00 N ATOM 176 N BTRP A 11 -14.403 5.179 0.611 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.008 4.544 0.840 0.20 0.00 C ATOM 178 CA BTRP A 11 -13.043 4.710 0.367 0.80 0.00 C ATOM 179 C ATRP A 11 -12.901 4.183 -0.638 0.20 0.00 C ATOM 180 C BTRP A 11 -12.826 4.419 -1.112 0.80 0.00 C ATOM 181 O ATRP A 11 -13.675 3.371 -1.143 0.20 0.00 O ATOM 182 O BTRP A 11 -13.738 3.967 -1.804 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.577 3.356 1.701 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.756 3.458 1.196 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.249 3.734 3.114 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.592 3.738 2.660 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.069 3.632 4.201 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.567 3.699 3.616 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.012 4.276 3.591 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.382 4.102 3.332 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.418 4.078 5.325 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.035 4.015 4.842 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.154 4.478 4.978 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.696 4.266 4.695 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.800 4.607 2.982 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.063 4.301 2.916 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.128 4.998 5.762 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.739 4.623 5.641 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.783 5.124 3.762 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.114 4.656 3.856 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.951 5.314 5.140 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.454 4.813 5.206 0.80 0.00 C ATOM 0 H ATRP A 11 -15.024 4.175 1.280 0.20 0.00 H new ATOM 0 H BTRP A 11 -15.105 4.777 -0.010 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.344 5.386 1.038 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.353 5.499 0.667 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.374 2.613 1.707 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.570 2.746 1.059 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.705 2.885 1.247 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.850 2.983 0.821 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.081 3.256 4.180 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.603 3.456 3.434 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.811 4.107 6.266 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.553 4.056 5.720 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.660 4.462 1.921 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.790 4.180 1.878 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.257 5.147 6.824 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.001 4.746 6.682 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.842 5.386 3.301 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.092 4.815 3.544 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.136 5.718 5.722 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.689 5.089 5.917 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.939 4.791 -1.323 0.20 0.00 N ATOM 224 N BGLU A 12 -11.612 4.676 -1.592 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.732 4.532 -2.744 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.278 4.440 -2.990 0.80 0.00 C ATOM 227 C AGLU A 12 -10.313 4.035 -3.005 0.20 0.00 C ATOM 228 C BGLU A 12 -9.920 3.754 -3.115 0.80 0.00 C ATOM 229 O AGLU A 12 -9.338 4.645 -2.567 0.20 0.00 O ATOM 230 O BGLU A 12 -8.994 4.042 -2.359 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.000 5.799 -3.560 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.270 5.759 -3.766 0.80 0.00 C ATOM 233 CG AGLU A 12 -11.400 5.762 -4.955 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.622 6.449 -3.807 0.80 0.00 C ATOM 235 CD AGLU A 12 -12.052 6.756 -5.897 0.20 0.00 C ATOM 236 CD BGLU A 12 -13.624 5.717 -4.679 0.80 0.00 C ATOM 237 OE1AGLU A 12 -11.578 6.881 -7.046 0.20 0.00 O ATOM 238 OE1BGLU A 12 -13.290 4.618 -5.168 0.80 0.00 O ATOM 239 OE2AGLU A 12 -13.034 7.408 -5.485 0.20 0.00 O ATOM 240 OE2BGLU A 12 -14.739 6.245 -4.871 0.80 0.00 O ATOM 0 H AGLU A 12 -11.290 5.466 -0.918 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.845 5.048 -1.032 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.432 3.756 -3.052 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.038 3.784 -3.414 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -13.077 5.948 -3.640 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -10.542 6.432 -3.314 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -11.598 6.659 -3.023 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.938 5.568 -4.786 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -10.332 5.972 -4.893 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.017 6.528 -2.794 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -11.504 4.757 -5.365 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.496 7.466 -4.180 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.206 2.923 -3.724 0.20 0.00 N ATOM 254 N BLYS A 13 -9.812 2.841 -4.077 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.908 2.343 -4.048 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.570 2.115 -4.304 0.80 0.00 C ATOM 257 C ALYS A 13 -8.101 3.277 -4.944 0.20 0.00 C ATOM 258 C BLYS A 13 -7.700 2.830 -5.334 0.80 0.00 C ATOM 259 O ALYS A 13 -8.661 3.990 -5.777 0.20 0.00 O ATOM 260 O BLYS A 13 -8.013 2.839 -6.524 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.089 0.988 -4.737 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.868 0.690 -4.775 0.80 0.00 C ATOM 263 CG ALYS A 13 -7.842 0.121 -4.711 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.622 -0.125 -5.079 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.139 -1.293 -5.183 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.959 -1.401 -5.832 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.253 -2.312 -4.482 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.058 -2.592 -4.893 0.80 0.00 C ATOM 269 NZ ALYS A 13 -7.700 -2.568 -3.084 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.738 -3.245 -4.680 0.80 0.00 N ATOM 0 H ALYS A 13 -11.003 2.405 -4.094 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.570 2.588 -4.710 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.360 2.200 -3.116 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.025 2.074 -3.361 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -9.905 0.451 -4.254 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.449 0.177 -4.008 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.385 1.153 -5.773 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.490 0.735 -5.669 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.075 0.565 -5.346 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.929 0.475 -5.670 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.439 0.091 -3.699 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.114 -0.375 -4.148 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.186 -1.529 -4.994 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.904 -1.274 -6.361 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -7.987 -1.358 -6.260 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.195 -1.593 -6.585 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.261 -3.247 -5.043 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.460 -2.265 -3.934 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -6.224 -1.954 -4.474 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.760 -3.319 -5.302 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -6.881 -2.837 -2.501 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -6.852 -4.278 -4.716 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -8.134 -1.707 -2.695 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.077 -2.943 -5.424 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -8.397 -3.340 -3.078 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.361 -2.971 -3.750 0.80 0.00 H new ATOM 297 N AARG A 14 -6.784 3.268 -4.766 0.20 0.00 N ATOM 298 N BARG A 14 -6.608 3.426 -4.868 0.80 0.00 N ATOM 299 CA AARG A 14 -5.900 4.116 -5.559 0.20 0.00 C ATOM 300 CA BARG A 14 -5.694 4.143 -5.749 0.80 0.00 C ATOM 301 C AARG A 14 -4.546 3.444 -5.768 0.20 0.00 C ATOM 302 C BARG A 14 -4.352 3.422 -5.845 0.80 0.00 C ATOM 303 O AARG A 14 -4.226 2.452 -5.113 0.20 0.00 O ATOM 304 O BARG A 14 -4.060 2.526 -5.051 0.80 0.00 O ATOM 305 CB AARG A 14 -5.710 5.470 -4.873 0.20 0.00 C ATOM 306 CB BARG A 14 -5.482 5.572 -5.247 0.80 0.00 C ATOM 307 CG AARG A 14 -6.576 6.575 -5.458 0.20 0.00 C ATOM 308 CG BARG A 14 -6.776 6.338 -5.025 0.80 0.00 C ATOM 309 CD AARG A 14 -5.902 7.933 -5.339 0.20 0.00 C ATOM 310 CD BARG A 14 -6.960 7.430 -6.066 0.80 0.00 C ATOM 311 NE AARG A 14 -6.086 8.744 -6.540 0.20 0.00 N ATOM 312 NE BARG A 14 -5.838 8.365 -6.083 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.301 9.764 -6.867 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.733 9.372 -6.943 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.280 10.096 -6.086 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.679 9.576 -7.850 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.531 10.453 -7.975 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.682 10.180 -6.895 0.80 0.00 N ATOM 0 H AARG A 14 -6.305 2.684 -4.081 0.20 0.00 H new ATOM 0 H BARG A 14 -6.334 3.427 -3.885 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.363 4.271 -6.534 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.141 4.177 -6.743 0.80 0.00 H new ATOM 0 HB2AARG A 14 -5.937 5.365 -3.812 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.923 5.540 -4.312 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.663 5.762 -4.948 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.868 6.114 -5.967 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.782 6.361 -6.507 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.620 5.649 -5.065 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.536 6.598 -4.943 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.773 6.780 -4.029 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.307 8.464 -4.478 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.069 6.977 -7.051 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.837 7.794 -5.156 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.882 7.974 -5.862 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.861 8.514 -7.162 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.094 8.238 -5.397 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.097 9.567 -5.233 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.490 8.959 -7.889 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.678 10.880 -6.339 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.595 10.350 -8.509 0.80 0.00 H new ATOM 0 HH21AARG A 14 -6.313 10.201 -8.580 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.954 10.028 -6.197 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.926 11.236 -8.223 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.602 10.953 -7.556 0.80 0.00 H new ATOM 345 N AMET A 15 -3.756 3.991 -6.686 0.20 0.00 N ATOM 346 N BMET A 15 -3.541 3.817 -6.820 0.80 0.00 N ATOM 347 CA AMET A 15 -2.437 3.446 -6.979 0.20 0.00 C ATOM 348 CA BMET A 15 -2.231 3.209 -7.018 0.80 0.00 C ATOM 349 C AMET A 15 -1.355 4.505 -6.790 0.20 0.00 C ATOM 350 C BMET A 15 -1.161 4.276 -7.227 0.80 0.00 C ATOM 351 O AMET A 15 -1.654 5.681 -6.586 0.20 0.00 O ATOM 352 O BMET A 15 -1.333 5.191 -8.031 0.80 0.00 O ATOM 353 CB AMET A 15 -2.392 2.905 -8.409 0.20 0.00 C ATOM 354 CB BMET A 15 -2.260 2.260 -8.218 0.80 0.00 C ATOM 355 CG AMET A 15 -1.802 1.507 -8.513 0.20 0.00 C ATOM 356 CG BMET A 15 -0.888 1.753 -8.626 0.80 0.00 C ATOM 357 SD AMET A 15 -1.156 1.147 -10.157 0.20 0.00 S ATOM 358 SD BMET A 15 -0.938 0.081 -9.301 0.80 0.00 S ATOM 359 CE AMET A 15 0.598 1.040 -9.816 0.20 0.00 C ATOM 360 CE BMET A 15 0.664 -0.009 -10.098 0.80 0.00 C ATOM 0 H AMET A 15 -4.007 4.811 -7.239 0.20 0.00 H new ATOM 0 H BMET A 15 -3.768 4.556 -7.486 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.246 2.630 -6.282 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.984 2.642 -6.121 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.403 2.895 -8.817 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.897 1.408 -7.981 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.806 3.585 -9.027 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.715 2.773 -9.065 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.002 1.399 -7.781 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.461 2.428 -9.368 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.568 0.774 -8.259 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.226 1.772 -7.760 0.80 0.00 H new ATOM 0 HE1AMET A 15 1.155 1.530 -10.615 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.530 -0.157 -11.169 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.815 1.532 -8.868 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.209 0.919 -9.926 0.80 0.00 H new ATOM 0 HE3AMET A 15 0.894 -0.007 -9.757 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.230 -0.844 -9.684 0.80 0.00 H new ATOM 379 N ASER A 16 -0.097 4.081 -6.861 0.20 0.00 N ATOM 380 N BSER A 16 -0.059 4.154 -6.493 0.80 0.00 N ATOM 381 CA ASER A 16 1.027 4.993 -6.694 0.20 0.00 C ATOM 382 CA BSER A 16 1.036 5.111 -6.596 0.80 0.00 C ATOM 383 C ASER A 16 1.860 5.069 -7.971 0.20 0.00 C ATOM 384 C BSER A 16 1.533 5.219 -8.033 0.80 0.00 C ATOM 385 O ASER A 16 2.061 4.066 -8.655 0.20 0.00 O ATOM 386 O BSER A 16 1.135 4.440 -8.899 0.80 0.00 O ATOM 387 CB ASER A 16 1.906 4.543 -5.525 0.20 0.00 C ATOM 388 CB BSER A 16 2.188 4.701 -5.675 0.80 0.00 C ATOM 389 OG ASER A 16 2.524 5.652 -4.895 0.20 0.00 O ATOM 390 OG BSER A 16 2.750 5.828 -5.028 0.80 0.00 O ATOM 0 H ASER A 16 0.169 3.111 -7.033 0.20 0.00 H new ATOM 0 H BSER A 16 0.099 3.403 -5.821 0.80 0.00 H new ATOM 0 HA ASER A 16 0.629 5.985 -6.481 0.20 0.00 H new ATOM 0 HA BSER A 16 0.662 6.087 -6.287 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.301 3.999 -4.799 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.827 3.992 -4.930 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.669 3.853 -5.885 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.957 4.190 -6.255 0.80 0.00 H new ATOM 0 HG ASER A 16 3.079 5.338 -4.151 0.20 0.00 H new ATOM 0 HG BSER A 16 3.482 5.539 -4.444 0.80 0.00 H new ATOM 401 N AARG A 17 2.341 6.268 -8.286 0.20 0.00 N ATOM 402 N BARG A 17 2.405 6.191 -8.281 0.80 0.00 N ATOM 403 CA AARG A 17 3.150 6.476 -9.479 0.20 0.00 C ATOM 404 CA BARG A 17 2.956 6.402 -9.614 0.80 0.00 C ATOM 405 C AARG A 17 4.634 6.536 -9.128 0.20 0.00 C ATOM 406 C BARG A 17 4.473 6.247 -9.607 0.80 0.00 C ATOM 407 O AARG A 17 5.490 6.565 -10.010 0.20 0.00 O ATOM 408 O BARG A 17 5.075 5.895 -10.619 0.80 0.00 O ATOM 409 CB AARG A 17 2.730 7.766 -10.188 0.20 0.00 C ATOM 410 CB BARG A 17 2.576 7.792 -10.130 0.80 0.00 C ATOM 411 CG AARG A 17 2.680 8.976 -9.268 0.20 0.00 C ATOM 412 CG BARG A 17 1.079 8.044 -10.158 0.80 0.00 C ATOM 413 CD AARG A 17 2.269 10.231 -10.021 0.20 0.00 C ATOM 414 CD BARG A 17 0.764 9.495 -10.493 0.80 0.00 C ATOM 415 NE AARG A 17 3.034 10.406 -11.253 0.20 0.00 N ATOM 416 NE BARG A 17 1.483 9.952 -11.679 0.80 0.00 N ATOM 417 CZ AARG A 17 2.711 11.279 -12.200 0.20 0.00 C ATOM 418 CZ BARG A 17 1.417 11.193 -12.144 0.80 0.00 C ATOM 419 NH1AARG A 17 1.645 12.054 -12.058 0.20 0.00 N ATOM 420 NH1BARG A 17 0.665 12.097 -11.529 0.80 0.00 N ATOM 421 NH2AARG A 17 3.456 11.379 -13.293 0.20 0.00 N ATOM 422 NH2BARG A 17 2.102 11.535 -13.228 0.80 0.00 N ATOM 0 H AARG A 17 2.184 7.109 -7.731 0.20 0.00 H new ATOM 0 H BARG A 17 2.745 6.845 -7.576 0.80 0.00 H new ATOM 0 HA AARG A 17 2.987 5.631 -10.149 0.20 0.00 H new ATOM 0 HA BARG A 17 2.535 5.647 -10.278 0.80 0.00 H new ATOM 0 HB2AARG A 17 3.427 7.967 -11.002 0.20 0.00 H new ATOM 0 HB2BARG A 17 3.051 8.546 -9.502 0.80 0.00 H new ATOM 0 HB3AARG A 17 1.748 7.621 -10.638 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.976 7.918 -11.136 0.80 0.00 H new ATOM 0 HG2AARG A 17 1.975 8.789 -8.458 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.613 7.390 -10.895 0.80 0.00 H new ATOM 0 HG3AARG A 17 3.658 9.128 -8.811 0.20 0.00 H new ATOM 0 HG3BARG A 17 0.648 7.791 -9.189 0.80 0.00 H new ATOM 0 HD2AARG A 17 1.206 10.180 -10.258 0.20 0.00 H new ATOM 0 HD2BARG A 17 -0.308 9.605 -10.655 0.80 0.00 H new ATOM 0 HD3AARG A 17 2.411 11.101 -9.380 0.20 0.00 H new ATOM 0 HD3BARG A 17 1.025 10.128 -9.645 0.80 0.00 H new ATOM 0 HE AARG A 17 3.861 9.826 -11.394 0.20 0.00 H new ATOM 0 HE BARG A 17 2.068 9.281 -12.177 0.80 0.00 H new ATOM 0 HH11AARG A 17 1.070 11.981 -11.219 0.20 0.00 H new ATOM 0 HH11BARG A 17 0.136 11.839 -10.696 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.400 12.723 -12.788 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.616 13.050 -11.889 0.80 0.00 H new ATOM 0 HH21AARG A 17 4.277 10.785 -13.406 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.680 10.843 -13.705 0.80 0.00 H new ATOM 0 HH22AARG A 17 3.207 12.050 -14.020 0.20 0.00 H new ATOM 0 HH22BARG A 17 2.050 12.489 -13.584 0.80 0.00 H new ATOM 449 N AASN A 18 4.929 6.556 -7.831 0.20 0.00 N ATOM 450 N BASN A 18 5.085 6.512 -8.457 0.80 0.00 N ATOM 451 CA AASN A 18 6.309 6.614 -7.363 0.20 0.00 C ATOM 452 CA BASN A 18 6.532 6.402 -8.318 0.80 0.00 C ATOM 453 C AASN A 18 6.667 5.359 -6.570 0.20 0.00 C ATOM 454 C BASN A 18 6.954 4.946 -8.151 0.80 0.00 C ATOM 455 O AASN A 18 7.424 5.419 -5.602 0.20 0.00 O ATOM 456 O BASN A 18 7.844 4.462 -8.850 0.80 0.00 O ATOM 457 CB AASN A 18 6.523 7.855 -6.496 0.20 0.00 C ATOM 458 CB BASN A 18 7.014 7.224 -7.120 0.80 0.00 C ATOM 459 CG AASN A 18 7.891 8.476 -6.704 0.20 0.00 C ATOM 460 CG BASN A 18 6.601 8.680 -7.214 0.80 0.00 C ATOM 461 OD1AASN A 18 8.019 9.693 -6.837 0.20 0.00 O ATOM 462 OD1BASN A 18 5.978 9.099 -8.191 0.80 0.00 O ATOM 463 ND2AASN A 18 8.922 7.640 -6.734 0.20 0.00 N ATOM 464 ND2BASN A 18 6.945 9.460 -6.197 0.80 0.00 N ATOM 0 H AASN A 18 4.232 6.533 -7.087 0.20 0.00 H new ATOM 0 H BASN A 18 4.601 6.804 -7.608 0.80 0.00 H new ATOM 0 HA AASN A 18 6.960 6.671 -8.235 0.20 0.00 H new ATOM 0 HA BASN A 18 6.989 6.792 -9.227 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.754 8.592 -6.725 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.612 6.794 -6.203 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.405 7.586 -5.446 0.20 0.00 H new ATOM 0 HB3BASN A 18 8.100 7.161 -7.053 0.80 0.00 H new ATOM 0 HD21AASN A 18 9.866 8.000 -6.872 0.20 0.00 H new ATOM 0 HD21BASN A 18 6.693 10.448 -6.205 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.770 6.638 -6.619 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.461 9.071 -5.408 0.80 0.00 H new ATOM 477 N ASER A 19 6.120 4.224 -6.992 0.20 0.00 N ATOM 478 N BSER A 19 6.307 4.250 -7.221 0.80 0.00 N ATOM 479 CA ASER A 19 6.379 2.954 -6.321 0.20 0.00 C ATOM 480 CA BSER A 19 6.617 2.850 -6.960 0.80 0.00 C ATOM 481 C ASER A 19 5.736 1.799 -7.079 0.20 0.00 C ATOM 482 C BSER A 19 5.551 1.937 -7.561 0.80 0.00 C ATOM 483 O ASER A 19 6.427 0.928 -7.609 0.20 0.00 O ATOM 484 O BSER A 19 5.831 1.143 -8.457 0.80 0.00 O ATOM 485 CB ASER A 19 5.850 2.996 -4.886 0.20 0.00 C ATOM 486 CB BSER A 19 6.728 2.602 -5.454 0.80 0.00 C ATOM 487 OG ASER A 19 6.913 2.947 -3.950 0.20 0.00 O ATOM 488 OG BSER A 19 5.533 2.969 -4.788 0.80 0.00 O ATOM 0 H ASER A 19 5.495 4.157 -7.795 0.20 0.00 H new ATOM 0 H BSER A 19 5.565 4.634 -6.636 0.80 0.00 H new ATOM 0 HA ASER A 19 7.457 2.795 -6.299 0.20 0.00 H new ATOM 0 HA BSER A 19 7.574 2.621 -7.429 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.270 3.906 -4.735 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.942 1.549 -5.270 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.175 2.157 -4.719 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.564 3.172 -5.049 0.80 0.00 H new ATOM 0 HG ASER A 19 7.510 3.711 -4.093 0.20 0.00 H new ATOM 0 HG BSER A 19 5.628 2.799 -3.828 0.80 0.00 H new ATOM 499 N AGLY A 20 4.407 1.795 -7.128 0.20 0.00 N ATOM 500 N BGLY A 20 4.327 2.058 -7.056 0.80 0.00 N ATOM 501 CA AGLY A 20 3.693 0.740 -7.822 0.20 0.00 C ATOM 502 CA BGLY A 20 3.237 1.237 -7.554 0.80 0.00 C ATOM 503 C AGLY A 20 2.635 0.087 -6.953 0.20 0.00 C ATOM 504 C BGLY A 20 2.546 0.459 -6.450 0.80 0.00 C ATOM 505 O AGLY A 20 1.597 -0.350 -7.452 0.20 0.00 O ATOM 506 O BGLY A 20 2.029 -0.633 -6.681 0.80 0.00 O ATOM 0 H AGLY A 20 3.812 2.504 -6.699 0.20 0.00 H new ATOM 0 H BGLY A 20 4.070 2.708 -6.313 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.222 1.151 -8.715 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.508 1.872 -8.058 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.403 -0.017 -8.155 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.622 0.541 -8.299 0.80 0.00 H new ATOM 513 N AARG A 21 2.899 0.020 -5.653 0.20 0.00 N ATOM 514 N BARG A 21 2.538 1.024 -5.247 0.80 0.00 N ATOM 515 CA AARG A 21 1.964 -0.588 -4.716 0.20 0.00 C ATOM 516 CA BARG A 21 1.909 0.374 -4.103 0.80 0.00 C ATOM 517 C AARG A 21 0.600 0.095 -4.788 0.20 0.00 C ATOM 518 C BARG A 21 0.448 0.796 -3.975 0.80 0.00 C ATOM 519 O AARG A 21 0.391 1.002 -5.593 0.20 0.00 O ATOM 520 O BARG A 21 0.139 1.986 -3.887 0.80 0.00 O ATOM 521 CB AARG A 21 2.512 -0.504 -3.288 0.20 0.00 C ATOM 522 CB BARG A 21 2.663 0.716 -2.816 0.80 0.00 C ATOM 523 CG AARG A 21 3.903 -1.097 -3.137 0.20 0.00 C ATOM 524 CG BARG A 21 3.579 -0.397 -2.335 0.80 0.00 C ATOM 525 CD AARG A 21 4.773 -0.249 -2.221 0.20 0.00 C ATOM 526 CD BARG A 21 4.852 0.160 -1.713 0.80 0.00 C ATOM 527 NE AARG A 21 4.073 0.127 -0.997 0.20 0.00 N ATOM 528 NE BARG A 21 4.575 1.244 -0.778 0.80 0.00 N ATOM 529 CZ AARG A 21 4.546 1.006 -0.122 0.20 0.00 C ATOM 530 CZ BARG A 21 4.008 1.065 0.411 0.80 0.00 C ATOM 531 NH1AARG A 21 5.714 1.596 -0.334 0.20 0.00 N ATOM 532 NH1BARG A 21 3.661 -0.153 0.805 0.80 0.00 N ATOM 533 NH2AARG A 21 3.852 1.298 0.971 0.20 0.00 N ATOM 534 NH2BARG A 21 3.789 2.103 1.206 0.80 0.00 N ATOM 0 H AARG A 21 3.752 0.379 -5.225 0.20 0.00 H new ATOM 0 H BARG A 21 2.959 1.929 -5.039 0.80 0.00 H new ATOM 0 HA AARG A 21 1.843 -1.636 -4.992 0.20 0.00 H new ATOM 0 HA BARG A 21 1.947 -0.704 -4.263 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.535 0.540 -2.977 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.254 1.617 -2.979 0.80 0.00 H new ATOM 0 HB3AARG A 21 1.830 -1.022 -2.614 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.942 0.946 -2.032 0.80 0.00 H new ATOM 0 HG2AARG A 21 3.827 -2.108 -2.736 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.054 -1.012 -1.604 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.374 -1.177 -4.117 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.835 -1.046 -3.172 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.678 -0.801 -1.966 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.382 -0.639 -1.195 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.087 0.651 -2.750 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.512 0.521 -2.501 0.80 0.00 H new ATOM 0 HE AARG A 21 3.172 -0.309 -0.803 0.20 0.00 H new ATOM 0 HE BARG A 21 4.831 2.193 -1.052 0.80 0.00 H new ATOM 0 HH11AARG A 21 6.252 1.375 -1.172 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.829 -0.953 0.196 0.80 0.00 H new ATOM 0 HH12AARG A 21 6.074 2.271 0.341 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.226 -0.289 1.717 0.80 0.00 H new ATOM 0 HH21AARG A 21 2.953 0.847 1.140 0.20 0.00 H new ATOM 0 HH21BARG A 21 4.056 3.041 0.906 0.80 0.00 H new ATOM 0 HH22AARG A 21 4.218 1.974 1.642 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.354 1.964 2.118 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.324 -0.347 -3.940 0.20 0.00 N ATOM 562 N BVAL A 22 -0.448 -0.186 -3.968 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.666 0.222 -3.907 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.876 0.082 -3.850 0.80 0.00 C ATOM 565 C AVAL A 22 -2.062 0.611 -2.488 0.20 0.00 C ATOM 566 C BVAL A 22 -2.243 0.496 -2.429 0.80 0.00 C ATOM 567 O AVAL A 22 -1.404 0.227 -1.519 0.20 0.00 O ATOM 568 O BVAL A 22 -1.742 -0.072 -1.457 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.706 -0.766 -4.468 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.712 -1.150 -4.246 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.708 -0.732 -5.988 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.193 -0.886 -4.015 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.436 -2.173 -3.958 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.450 -1.526 -5.697 0.80 0.00 C ATOM 0 H AVAL A 22 -0.167 -1.097 -3.267 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.210 -1.175 -4.043 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.649 1.114 -4.533 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.102 0.901 -4.533 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.693 -0.463 -4.120 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.414 -1.989 -3.617 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.449 -1.436 -6.367 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.768 -1.767 -4.300 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.955 0.273 -6.329 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.363 -0.667 -2.961 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.721 -1.009 -6.359 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.509 -0.035 -4.618 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.181 -2.857 -4.365 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.048 -2.398 -5.961 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.442 -2.490 -4.273 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.721 -0.691 -6.344 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.491 -2.182 -2.869 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.393 -1.758 -5.828 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.144 1.375 -2.371 0.20 0.00 N ATOM 594 N BTYR A 23 -3.120 1.487 -2.315 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.628 1.817 -1.070 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.552 1.977 -1.012 0.80 0.00 C ATOM 597 C ATYR A 23 -5.065 2.323 -1.166 0.20 0.00 C ATOM 598 C BTYR A 23 -5.005 2.444 -1.061 0.80 0.00 C ATOM 599 O ATYR A 23 -5.628 2.424 -2.257 0.20 0.00 O ATOM 600 O BTYR A 23 -5.657 2.375 -2.105 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.725 2.917 -0.513 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.653 3.126 -0.552 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.705 4.171 -1.357 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.679 4.323 -1.475 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.328 5.335 -0.923 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.711 4.489 -2.457 0.80 0.00 C ATOM 607 CD2ATYR A 23 -2.068 4.192 -2.591 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.670 5.290 -1.362 0.80 0.00 C ATOM 609 CE1ATYR A 23 -3.314 6.483 -1.692 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.730 5.582 -3.301 0.80 0.00 C ATOM 611 CE2ATYR A 23 -2.047 5.335 -3.366 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.698 6.385 -2.203 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.671 6.478 -2.913 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.726 6.527 -3.171 0.80 0.00 C ATOM 615 OH ATYR A 23 -2.656 7.617 -3.682 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.749 7.618 -4.010 0.80 0.00 O ATOM 0 H ATYR A 23 -3.701 1.700 -3.161 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.545 1.966 -3.109 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.607 0.962 -0.394 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.475 1.156 -0.299 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.056 3.172 0.494 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.961 3.440 0.445 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.709 2.532 -0.426 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.628 2.764 -0.470 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -3.832 5.342 0.032 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -0.930 3.751 -2.562 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -1.580 3.298 -2.951 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.431 5.184 -0.604 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.803 7.379 -1.340 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -0.969 5.696 -4.059 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -1.544 5.333 -4.322 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.477 7.126 -2.103 0.80 0.00 H new ATOM 0 HH ATYR A 23 -2.161 7.446 -4.510 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.515 8.186 -3.787 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.651 2.642 -0.018 0.20 0.00 N ATOM 636 N BTYR A 24 -5.505 2.919 0.074 0.80 0.00 N ATOM 637 CA ATYR A 24 -7.022 3.136 0.029 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.881 3.396 0.164 0.80 0.00 C ATOM 639 C ATYR A 24 -7.052 4.631 0.331 0.20 0.00 C ATOM 640 C BTYR A 24 -6.930 4.814 0.721 0.80 0.00 C ATOM 641 O ATYR A 24 -6.261 5.131 1.131 0.20 0.00 O ATOM 642 O BTYR A 24 -6.231 5.143 1.680 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.826 2.375 1.084 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.710 2.460 1.043 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.638 0.876 1.022 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.499 0.993 0.735 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.559 0.264 1.646 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.824 0.168 1.625 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.541 0.070 0.339 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.976 0.436 -0.444 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.383 -1.105 1.592 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.627 -1.171 1.348 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.375 -1.300 0.281 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.787 -0.902 -0.729 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.294 -1.883 0.908 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.112 -1.701 0.169 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.123 -3.247 0.852 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.921 -3.035 -0.110 0.80 0.00 O ATOM 0 H ATYR A 24 -5.198 2.567 0.893 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.978 2.984 0.945 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.474 2.972 -0.949 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.302 3.406 -0.841 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.537 2.729 2.074 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.462 2.642 2.089 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.884 2.606 0.959 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.766 2.700 0.920 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.844 0.870 2.183 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.447 0.580 2.549 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.388 0.523 -0.155 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.504 1.060 -1.150 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.537 -1.564 2.082 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.097 -1.799 2.049 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -9.088 -1.911 -0.252 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -8.166 -1.320 -1.650 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.852 -3.647 0.333 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.324 -3.249 -0.977 0.80 0.00 H new ATOM 677 N APHE A 25 -7.971 5.340 -0.313 0.20 0.00 N ATOM 678 N BPHE A 25 -7.763 5.654 0.114 0.80 0.00 N ATOM 679 CA APHE A 25 -8.107 6.780 -0.115 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.907 7.038 0.549 0.80 0.00 C ATOM 681 C APHE A 25 -9.517 7.133 0.351 0.20 0.00 C ATOM 682 C BPHE A 25 -9.375 7.396 0.754 0.80 0.00 C ATOM 683 O APHE A 25 -10.491 6.923 -0.368 0.20 0.00 O ATOM 684 O BPHE A 25 -10.245 6.926 0.023 0.80 0.00 O ATOM 685 CB APHE A 25 -7.783 7.525 -1.409 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.277 7.983 -0.477 0.80 0.00 C ATOM 687 CG APHE A 25 -7.883 9.019 -1.281 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.625 9.427 -0.253 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.779 9.736 -2.056 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.547 10.065 -1.067 0.80 0.00 C ATOM 691 CD2APHE A 25 -7.080 9.707 -0.384 0.20 0.00 C ATOM 692 CD2BPHE A 25 -7.032 10.147 0.771 0.80 0.00 C ATOM 693 CE1APHE A 25 -8.874 11.110 -1.940 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.873 11.395 -0.864 0.80 0.00 C ATOM 695 CE2APHE A 25 -7.171 11.081 -0.263 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.351 11.476 0.980 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.069 11.782 -1.043 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.272 12.100 0.160 0.80 0.00 C ATOM 0 H APHE A 25 -8.634 4.942 -0.978 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.349 5.399 -0.681 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.401 7.085 0.658 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.390 7.149 1.502 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.774 7.262 -1.728 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.193 7.870 -0.447 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.462 7.189 -2.192 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.600 7.690 -1.476 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.411 9.215 -2.760 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -9.017 9.518 -1.870 0.80 0.00 H new ATOM 0 HD2APHE A 25 -6.375 9.163 0.227 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -6.311 9.664 1.414 0.80 0.00 H new ATOM 0 HE1APHE A 25 -9.577 11.657 -2.551 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.595 11.880 -1.504 0.80 0.00 H new ATOM 0 HE2APHE A 25 -6.541 11.605 0.440 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.881 12.025 1.782 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.141 12.856 -0.951 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.522 13.139 0.320 0.80 0.00 H new ATOM 717 N AASN A 26 -9.615 7.674 1.563 0.20 0.00 N ATOM 718 N BASN A 26 -9.641 8.227 1.754 0.80 0.00 N ATOM 719 CA AASN A 26 -10.903 8.058 2.126 0.20 0.00 C ATOM 720 CA BASN A 26 -11.004 8.648 2.057 0.80 0.00 C ATOM 721 C AASN A 26 -11.241 9.503 1.776 0.20 0.00 C ATOM 722 C BASN A 26 -11.255 10.073 1.574 0.80 0.00 C ATOM 723 O AASN A 26 -10.604 10.437 2.267 0.20 0.00 O ATOM 724 O BASN A 26 -10.531 11.000 1.938 0.80 0.00 O ATOM 725 CB AASN A 26 -10.893 7.875 3.646 0.20 0.00 C ATOM 726 CB BASN A 26 -11.267 8.553 3.561 0.80 0.00 C ATOM 727 CG AASN A 26 -12.213 8.268 4.282 0.20 0.00 C ATOM 728 CG BASN A 26 -12.748 8.537 3.889 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.482 9.449 4.499 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.552 9.181 3.216 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.041 7.275 4.587 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.114 7.799 4.931 0.80 0.00 N ATOM 0 H AASN A 26 -8.817 7.856 2.172 0.20 0.00 H new ATOM 0 H BASN A 26 -8.931 8.623 2.370 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.668 7.412 1.695 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.688 7.981 1.532 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.674 6.834 3.883 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.801 7.648 3.952 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.092 8.475 4.077 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.795 9.397 4.064 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.942 7.477 5.020 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.096 7.750 5.201 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.775 6.310 4.389 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.413 7.281 5.461 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.247 9.681 0.927 0.20 0.00 N ATOM 746 N BHIS A 27 -12.286 10.241 0.751 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.671 11.015 0.513 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.634 11.554 0.219 0.80 0.00 C ATOM 749 C AHIS A 27 -13.748 11.555 1.447 0.20 0.00 C ATOM 750 C BHIS A 27 -13.426 12.363 1.242 0.80 0.00 C ATOM 751 O AHIS A 27 -14.760 12.096 0.995 0.20 0.00 O ATOM 752 O BHIS A 27 -13.511 13.587 1.147 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.194 10.983 -0.924 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.442 11.408 -1.069 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.425 10.149 -1.097 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.628 10.504 -0.933 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.113 10.060 -2.287 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.861 10.941 -0.493 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.092 9.363 -0.218 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.768 9.181 -1.182 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.151 9.255 -2.135 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.705 9.925 -0.477 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.160 8.817 -0.889 0.20 0.00 N ATOM 764 NE2BHIS A 27 -16.067 8.846 -0.889 0.80 0.00 N ATOM 0 H AHIS A 27 -12.784 8.920 0.512 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.895 9.485 0.438 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.807 11.677 0.562 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.708 12.086 -0.000 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.408 12.002 -1.246 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.781 12.393 -1.389 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.411 10.599 -1.578 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.791 11.024 -1.855 0.80 0.00 H new ATOM 0 HD1AHIS A 27 -14.861 10.540 -3.151 0.20 0.00 H new ATOM 0 HD1BHIS A 27 -16.085 11.899 -0.223 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.833 9.196 0.817 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -14.001 8.513 -1.544 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.869 8.999 -2.900 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.742 9.970 -0.177 0.80 0.00 H new ATOM 779 N AILE A 28 -13.528 11.406 2.749 0.20 0.00 N ATOM 780 N BILE A 28 -14.004 11.669 2.217 0.80 0.00 N ATOM 781 CA AILE A 28 -14.480 11.881 3.744 0.20 0.00 C ATOM 782 CA BILE A 28 -14.789 12.324 3.256 0.80 0.00 C ATOM 783 C AILE A 28 -13.768 12.581 4.896 0.20 0.00 C ATOM 784 C BILE A 28 -13.893 12.859 4.368 0.80 0.00 C ATOM 785 O AILE A 28 -14.227 13.611 5.392 0.20 0.00 O ATOM 786 O BILE A 28 -14.020 14.011 4.783 0.80 0.00 O ATOM 787 CB AILE A 28 -15.329 10.726 4.308 0.20 0.00 C ATOM 788 CB BILE A 28 -15.827 11.361 3.867 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.305 10.216 3.245 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.792 10.867 2.789 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.078 11.177 5.551 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.587 12.049 4.993 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.447 11.168 2.968 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.859 9.935 3.316 0.80 0.00 C ATOM 0 H AILE A 28 -12.698 10.960 3.139 0.20 0.00 H new ATOM 0 H BILE A 28 -13.944 10.655 2.309 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.135 12.591 3.239 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.310 13.156 2.781 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.665 9.908 4.586 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.304 10.499 4.281 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.759 10.036 2.319 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.271 11.726 2.320 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.712 9.257 3.567 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.225 10.355 2.012 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.673 10.350 5.937 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.316 11.358 5.415 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.364 11.496 6.310 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.887 12.357 5.770 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.735 12.009 5.298 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.103 12.926 4.601 0.80 0.00 H new ATOM 0 HD11AILE A 28 -18.099 10.742 2.205 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.508 9.624 2.497 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.017 11.329 3.883 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.389 9.057 3.760 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.050 12.120 2.616 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.451 10.450 4.072 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.639 12.019 5.318 0.20 0.00 N ATOM 818 N BTHR A 29 -12.983 12.014 4.845 0.80 0.00 N ATOM 819 CA ATHR A 29 -11.862 12.590 6.410 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.063 12.402 5.906 0.80 0.00 C ATOM 821 C ATHR A 29 -10.427 12.864 5.978 0.20 0.00 C ATOM 822 C BTHR A 29 -10.779 12.993 5.336 0.80 0.00 C ATOM 823 O ATHR A 29 -9.508 12.845 6.797 0.20 0.00 O ATOM 824 O BTHR A 29 -10.048 13.698 6.028 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.848 11.658 7.636 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.707 11.203 6.807 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.675 10.515 7.392 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.741 9.991 6.045 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.338 12.389 8.876 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.672 11.099 7.978 0.80 0.00 C ATOM 0 H ATHR A 29 -12.243 11.168 4.919 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.864 11.057 4.513 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.342 13.530 6.683 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.572 13.159 6.503 0.80 0.00 H new ATOM 0 HB ATHR A 29 -10.822 11.333 7.806 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.702 11.358 7.199 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.659 9.927 8.176 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.513 9.234 6.624 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.319 11.711 9.729 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.400 10.245 8.599 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.689 13.242 9.076 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.622 12.011 8.573 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.357 12.739 8.713 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.687 10.966 7.603 0.80 0.00 H new ATOM 845 N AASN A 30 -10.239 13.120 4.687 0.20 0.00 N ATOM 846 N BASN A 30 -10.513 12.702 4.067 0.80 0.00 N ATOM 847 CA AASN A 30 -8.913 13.398 4.147 0.20 0.00 C ATOM 848 CA BASN A 30 -9.317 13.205 3.402 0.80 0.00 C ATOM 849 C AASN A 30 -7.897 12.374 4.644 0.20 0.00 C ATOM 850 C BASN A 30 -8.056 12.624 4.035 0.80 0.00 C ATOM 851 O AASN A 30 -6.740 12.705 4.895 0.20 0.00 O ATOM 852 O BASN A 30 -7.209 13.358 4.542 0.80 0.00 O ATOM 853 CB AASN A 30 -8.467 14.808 4.537 0.20 0.00 C ATOM 854 CB BASN A 30 -9.276 14.732 3.468 0.80 0.00 C ATOM 855 CG AASN A 30 -9.048 15.873 3.628 0.20 0.00 C ATOM 856 CG BASN A 30 -8.427 15.338 2.368 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.035 16.524 3.967 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.936 16.016 1.475 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.435 16.055 2.464 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.121 15.094 2.427 0.80 0.00 N ATOM 0 H AASN A 30 -10.988 13.141 3.995 0.20 0.00 H new ATOM 0 H BASN A 30 -11.110 12.120 3.479 0.80 0.00 H new ATOM 0 HA AASN A 30 -8.968 13.329 3.061 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.355 12.893 2.358 0.80 0.00 H new ATOM 0 HB2AASN A 30 -8.767 15.009 5.565 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.291 15.123 3.396 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.379 14.863 4.506 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.883 15.040 4.437 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.780 16.758 1.810 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.498 15.474 1.714 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.619 15.492 2.224 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.742 14.527 3.185 0.80 0.00 H new ATOM 873 N AALA A 31 -8.340 11.128 4.781 0.20 0.00 N ATOM 874 N BALA A 31 -7.941 11.301 4.000 0.80 0.00 N ATOM 875 CA AALA A 31 -7.469 10.056 5.245 0.20 0.00 C ATOM 876 CA BALA A 31 -6.783 10.620 4.567 0.80 0.00 C ATOM 877 C AALA A 31 -6.898 9.267 4.071 0.20 0.00 C ATOM 878 C BALA A 31 -6.552 9.272 3.891 0.80 0.00 C ATOM 879 O AALA A 31 -7.457 9.274 2.976 0.20 0.00 O ATOM 880 O BALA A 31 -7.493 8.638 3.413 0.80 0.00 O ATOM 881 CB AALA A 31 -8.227 9.130 6.185 0.20 0.00 C ATOM 882 CB BALA A 31 -6.961 10.436 6.067 0.80 0.00 C ATOM 0 H AALA A 31 -9.296 10.837 4.577 0.20 0.00 H new ATOM 0 H BALA A 31 -8.635 10.679 3.585 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.637 10.506 5.787 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.905 11.241 4.389 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.564 8.334 6.524 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.089 9.926 6.477 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.583 9.697 7.045 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.069 11.411 6.543 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.077 8.695 5.660 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.853 9.839 6.257 0.80 0.00 H new ATOM 893 N ASER A 32 -5.779 8.589 4.309 0.20 0.00 N ATOM 894 N BSER A 32 -5.295 8.841 3.857 0.80 0.00 N ATOM 895 CA ASER A 32 -5.129 7.799 3.271 0.20 0.00 C ATOM 896 CA BSER A 32 -4.942 7.569 3.236 0.80 0.00 C ATOM 897 C ASER A 32 -4.173 6.782 3.882 0.20 0.00 C ATOM 898 C BSER A 32 -4.403 6.590 4.273 0.80 0.00 C ATOM 899 O ASER A 32 -2.956 6.968 3.863 0.20 0.00 O ATOM 900 O BSER A 32 -3.839 6.995 5.289 0.80 0.00 O ATOM 901 CB ASER A 32 -4.370 8.713 2.304 0.20 0.00 C ATOM 902 CB BSER A 32 -3.902 7.789 2.134 0.80 0.00 C ATOM 903 OG ASER A 32 -5.123 9.877 2.008 0.20 0.00 O ATOM 904 OG BSER A 32 -4.053 6.837 1.094 0.80 0.00 O ATOM 0 H ASER A 32 -5.304 8.571 5.212 0.20 0.00 H new ATOM 0 H BSER A 32 -4.505 9.352 4.251 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.901 7.261 2.721 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.844 7.143 2.796 0.80 0.00 H new ATOM 0 HB2ASER A 32 -3.413 8.996 2.742 0.20 0.00 H new ATOM 0 HB2BSER A 32 -4.005 8.795 1.728 0.80 0.00 H new ATOM 0 HB3ASER A 32 -4.152 8.173 1.383 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.899 7.716 2.556 0.80 0.00 H new ATOM 0 HG ASER A 32 -6.075 9.649 1.967 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.809 6.247 1.298 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.731 5.703 4.422 0.20 0.00 N ATOM 916 N BGLN A 33 -4.580 5.300 4.007 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.927 4.655 5.040 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.112 4.261 4.918 0.80 0.00 C ATOM 919 C AGLN A 33 -3.799 3.450 4.114 0.20 0.00 C ATOM 920 C BGLN A 33 -3.789 2.978 4.161 0.80 0.00 C ATOM 921 O AGLN A 33 -4.613 3.260 3.209 0.20 0.00 O ATOM 922 O BGLN A 33 -4.544 2.552 3.287 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.547 4.225 6.371 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.166 3.982 5.991 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.997 3.785 6.253 0.20 0.00 C ATOM 926 CG BGLN A 33 -4.731 2.950 7.017 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.350 2.674 7.223 0.20 0.00 C ATOM 928 CD BGLN A 33 -5.754 2.752 8.119 0.80 0.00 C ATOM 929 OE1AGLN A 33 -5.540 2.290 8.067 0.20 0.00 O ATOM 930 OE1BGLN A 33 -5.692 3.400 9.163 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.566 2.153 7.108 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.705 1.852 7.888 0.80 0.00 N ATOM 0 H AGLN A 33 -5.736 5.532 4.444 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.044 4.949 3.169 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.931 5.057 5.224 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.200 4.617 5.397 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.960 3.406 6.788 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.406 4.913 6.504 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.484 5.054 7.076 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.081 3.639 5.509 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.648 4.640 6.433 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.554 1.998 6.516 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.189 3.448 5.234 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -3.783 3.259 7.458 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.205 2.502 6.394 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.717 1.338 7.007 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -7.861 1.404 7.734 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.422 1.676 8.592 0.80 0.00 H new ATOM 949 N APHE A 34 -2.772 2.640 4.345 0.20 0.00 N ATOM 950 N BPHE A 34 -2.658 2.366 4.500 0.80 0.00 N ATOM 951 CA APHE A 34 -2.535 1.454 3.531 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.234 1.131 3.851 0.80 0.00 C ATOM 953 C APHE A 34 -3.400 0.288 4.001 0.20 0.00 C ATOM 954 C BPHE A 34 -2.965 -0.071 4.436 0.80 0.00 C ATOM 955 O APHE A 34 -3.790 -0.568 3.209 0.20 0.00 O ATOM 956 O BPHE A 34 -3.252 -1.039 3.733 0.80 0.00 O ATOM 957 CB APHE A 34 -1.057 1.059 3.581 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.722 0.947 4.000 0.80 0.00 C ATOM 959 CG APHE A 34 -0.121 2.222 3.416 0.20 0.00 C ATOM 960 CG BPHE A 34 0.084 2.041 3.359 0.80 0.00 C ATOM 961 CD1APHE A 34 0.786 2.545 4.411 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.879 2.874 4.130 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.149 2.993 2.265 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.045 2.234 1.988 0.80 0.00 C ATOM 965 CE1APHE A 34 1.650 3.615 4.262 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.621 3.882 3.543 0.80 0.00 C ATOM 967 CE2APHE A 34 0.712 4.063 2.109 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.786 3.240 1.397 0.80 0.00 C ATOM 969 CZ APHE A 34 1.612 4.375 3.110 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.574 4.067 2.175 0.80 0.00 C ATOM 0 H APHE A 34 -2.090 2.783 5.090 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.020 2.705 5.220 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.805 1.693 2.502 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.482 1.202 2.792 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.852 0.570 4.533 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.473 0.898 5.060 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.858 0.328 2.797 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.436 -0.009 3.561 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.819 1.954 5.315 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.919 2.734 5.200 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.852 2.755 1.480 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.570 1.592 1.375 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.353 3.855 5.046 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.237 4.525 4.154 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.681 4.654 1.206 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.749 3.380 0.327 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.284 5.212 2.991 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.151 4.855 1.715 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.694 0.264 5.298 0.20 0.00 N ATOM 990 N BGLU A 35 -3.263 -0.003 5.731 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.512 -0.797 5.874 0.20 0.00 C ATOM 992 CA BGLU A 35 -3.960 -1.088 6.411 0.80 0.00 C ATOM 993 C AGLU A 35 -5.947 -0.716 5.364 0.20 0.00 C ATOM 994 C BGLU A 35 -5.435 -1.114 6.022 0.80 0.00 C ATOM 995 O AGLU A 35 -6.526 0.367 5.276 0.20 0.00 O ATOM 996 O BGLU A 35 -6.096 -0.077 5.981 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.497 -0.707 7.403 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.824 -0.938 7.929 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.756 -2.037 8.092 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.393 -0.728 8.392 0.80 0.00 C ATOM 1001 CD AGLU A 35 -4.170 -2.092 9.490 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.122 -1.349 9.749 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.942 -1.906 9.626 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -0.939 -1.424 10.142 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -4.937 -2.324 10.447 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -3.093 -1.761 10.417 0.80 0.00 O ATOM 0 H AGLU A 35 -3.379 0.966 5.968 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.033 0.791 6.328 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.090 -1.754 5.567 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.504 -2.029 6.103 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.530 -0.322 7.727 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.431 -0.095 8.259 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.251 0.012 7.724 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.226 -1.829 8.411 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.831 -2.212 8.145 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.711 -1.156 7.658 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.332 -2.842 7.492 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.183 0.341 8.437 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.515 -1.869 5.028 0.20 0.00 N ATOM 1020 N BARG A 36 -5.945 -2.309 5.740 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.882 -1.931 4.524 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.341 -2.472 5.353 0.80 0.00 C ATOM 1023 C AARG A 36 -8.870 -1.428 5.571 0.20 0.00 C ATOM 1024 C BARG A 36 -8.273 -1.920 6.428 0.80 0.00 C ATOM 1025 O AARG A 36 -8.777 -1.754 6.754 0.20 0.00 O ATOM 1026 O BARG A 36 -8.380 -2.462 7.528 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.235 -3.362 4.118 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.654 -3.948 5.102 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.682 -3.533 3.682 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.085 -4.200 4.652 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.031 -4.999 3.471 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.531 -5.615 4.978 0.80 0.00 C ATOM 1033 NE AARG A 36 -11.052 -5.457 4.407 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.319 -6.204 3.901 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.798 -6.540 4.209 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.137 -7.238 4.067 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.635 -7.270 3.113 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.274 -7.793 5.263 0.80 0.00 N ATOM 1039 NH2AARG A 36 -12.708 -6.893 5.107 0.20 0.00 N ATOM 1040 NH2BARG A 36 -11.822 -7.716 3.036 0.80 0.00 N ATOM 0 H AARG A 36 -6.049 -2.774 5.096 0.20 0.00 H new ATOM 0 H BARG A 36 -5.412 -3.178 5.772 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.949 -1.287 3.647 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.503 -1.911 4.433 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.580 -3.671 3.303 0.20 0.00 H new ATOM 0 HB2BARG A 36 -6.971 -4.332 4.344 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.036 -4.028 4.957 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.465 -4.511 6.016 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.343 -3.105 4.436 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.751 -3.487 5.138 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.852 -2.981 2.758 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.165 -4.031 3.578 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.384 -5.145 2.450 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.655 -6.236 5.167 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.133 -5.606 3.588 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.120 -5.607 5.895 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.202 -4.917 5.259 0.20 0.00 H new ATOM 0 HE BARG A 36 -10.238 -5.800 2.968 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.936 -7.001 2.420 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.751 -7.426 6.058 0.80 0.00 H new ATOM 0 HH12AARG A 36 -12.208 -8.100 2.963 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.902 -8.587 5.388 0.80 0.00 H new ATOM 0 HH21AARG A 36 -12.836 -6.334 5.950 0.20 0.00 H new ATOM 0 HH21BARG A 36 -11.721 -7.290 2.115 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.280 -7.724 4.954 0.20 0.00 H new ATOM 0 HH22BARG A 36 -12.450 -8.510 3.165 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.842 -0.616 5.128 0.20 0.00 N ATOM 1068 N BPRO A 37 -8.959 -0.814 6.107 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.867 -0.051 6.011 0.20 0.00 C ATOM 1070 CA BPRO A 37 -9.893 -0.164 7.031 0.80 0.00 C ATOM 1071 C APRO A 37 -11.845 -1.108 6.512 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.150 -0.997 7.267 0.80 0.00 C ATOM 1073 O APRO A 37 -12.214 -2.024 5.778 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.414 -1.956 6.544 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.585 0.962 5.117 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.244 1.145 6.320 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.369 0.467 3.730 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.023 0.862 4.874 0.80 0.00 C ATOM 1079 CD APRO A 37 -10.013 -0.186 3.731 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.880 -0.114 4.813 0.80 0.00 C ATOM 0 HA APRO A 37 -10.435 0.386 6.911 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.456 -0.023 8.020 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.647 1.017 5.356 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.277 1.436 6.513 0.80 0.00 H new ATOM 0 HB3APRO A 37 -11.176 1.964 5.247 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.612 1.964 6.664 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.144 -0.244 3.444 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -10.919 0.442 4.417 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.407 1.287 3.012 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.785 1.776 4.329 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.973 -1.031 3.043 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -8.985 -0.804 3.976 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.232 0.510 3.426 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -7.924 0.394 4.689 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.262 -0.973 7.766 0.20 0.00 N ATOM 1096 N BSER A 38 -11.921 -0.621 8.282 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.197 -1.918 8.367 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.149 -1.335 8.616 0.80 0.00 C ATOM 1099 C ASER A 38 -14.602 -1.727 7.803 0.20 0.00 C ATOM 1100 C BSER A 38 -14.290 -0.358 8.878 0.80 0.00 C ATOM 1101 O ASER A 38 -15.178 -2.643 7.221 0.20 0.00 O ATOM 1102 O BSER A 38 -14.080 0.853 8.962 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.218 -1.750 9.888 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.930 -2.224 9.839 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.482 -0.407 10.250 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.103 -2.956 10.154 0.80 0.00 O ATOM 0 H ASER A 38 -11.968 -0.219 8.386 0.20 0.00 H new ATOM 0 H BSER A 38 -11.718 0.174 8.888 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.862 -2.926 8.124 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.419 -1.962 7.766 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.978 -2.402 10.318 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.107 -2.913 9.649 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.260 -2.060 10.304 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.641 -1.610 10.692 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.492 -0.327 11.227 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.937 -3.518 10.939 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.146 -0.526 7.982 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.501 -0.892 9.005 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.477 -0.235 7.487 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.659 -0.055 9.258 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.560 -0.593 8.486 0.20 0.00 C ATOM 1122 C BGLY A 39 -17.933 -0.860 9.416 0.80 0.00 C ATOM 1123 O AGLY A 39 -18.623 -1.084 8.109 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.035 -1.639 10.363 0.80 0.00 O ATOM 0 H AGLY A 39 -14.688 0.249 8.461 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.701 -1.890 8.937 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.547 0.825 7.245 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.489 0.531 10.161 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.645 -0.785 6.561 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.779 0.652 8.437 0.80 0.00 H new TER 1131 GLY A 39