USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 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= 0.543 K(o=-6.4,f=-18!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -6.51! C(o=-6.4!,f=-17!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc=-0.00867 USER MOD Set 1.4: A 29 THR OG1B: rot -175:sc= -0.403 USER MOD Set 2.1: A 13 LYS NZ B:NH3+ -131:sc= -0.659 (180deg=-3.13!) USER MOD Set 2.2: A 15 MET CE B:methyl -111:sc= -0.358 (180deg=-0.114) USER MOD Set 3.1: A 5 SER OG A: rot 37:sc= 0.049 USER MOD Set 3.2: A 13 LYS NZ A:NH3+ -153:sc= 0.0386 (180deg=-0.0998) USER MOD Single : A 5 SER OG B: rot 180:sc= -0.0201 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 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 35:sc= 0.0234 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.0484 K(o=-0.048,f=-1.4) USER MOD Single : A 18 ASN B: amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot -72:sc= -0.0669 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HE2:sc= -1.49 K(o=-1.5,f=-2.2!) USER MOD Single : A 27 HIS B: no HD1:sc= -1.73 K(o=-1.7,f=-3.5!) USER MOD Single : A 30 ASN A: amide:sc= -0.227 X(o=-0.23,f=-0.077) USER MOD Single : A 30 ASN B: amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= -0.0859 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN B: amide:sc= -1.55 K(o=-1.6,f=-5!) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.00827 USER MOD Single : A 38 SER OG B: rot -62:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -11.389 -1.498 -6.402 0.50 0.00 N ATOM 2 N BSER A 5 -11.138 -2.859 -6.572 0.50 0.00 N ATOM 3 CA ASER A 5 -12.180 -2.509 -7.093 0.50 0.00 C ATOM 4 CA BSER A 5 -12.224 -3.832 -6.611 0.50 0.00 C ATOM 5 C ASER A 5 -13.190 -3.150 -6.146 0.50 0.00 C ATOM 6 C BSER A 5 -12.751 -4.114 -5.208 0.50 0.00 C ATOM 7 O ASER A 5 -14.302 -3.497 -6.548 0.50 0.00 O ATOM 8 O BSER A 5 -13.823 -3.645 -4.827 0.50 0.00 O ATOM 9 CB ASER A 5 -11.268 -3.586 -7.688 0.50 0.00 C ATOM 10 CB BSER A 5 -11.750 -5.131 -7.264 0.50 0.00 C ATOM 11 OG ASER A 5 -10.446 -3.048 -8.710 0.50 0.00 O ATOM 12 OG BSER A 5 -12.573 -6.220 -6.886 0.50 0.00 O ATOM 0 HA ASER A 5 -12.724 -2.018 -7.900 0.50 0.00 H new ATOM 0 HA BSER A 5 -13.035 -3.412 -7.206 0.50 0.00 H new ATOM 0 HB2ASER A 5 -10.645 -4.014 -6.903 0.50 0.00 H new ATOM 0 HB2BSER A 5 -11.761 -5.022 -8.348 0.50 0.00 H new ATOM 0 HB3ASER A 5 -11.873 -4.397 -8.093 0.50 0.00 H new ATOM 0 HB3BSER A 5 -10.719 -5.332 -6.974 0.50 0.00 H new ATOM 0 HG ASER A 5 -10.180 -2.136 -8.470 0.50 0.00 H new ATOM 0 HG BSER A 5 -12.251 -7.039 -7.318 0.50 0.00 H new ATOM 23 N ALYS A 6 -12.796 -3.304 -4.886 0.50 0.00 N ATOM 24 N BLYS A 6 -11.988 -4.888 -4.441 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.666 -3.900 -3.880 0.50 0.00 C ATOM 26 CA BLYS A 6 -12.374 -5.235 -3.080 0.50 0.00 C ATOM 27 C ALYS A 6 -13.619 -3.106 -2.579 0.50 0.00 C ATOM 28 C BLYS A 6 -12.003 -4.118 -2.108 0.50 0.00 C ATOM 29 O ALYS A 6 -13.200 -3.619 -1.541 0.50 0.00 O ATOM 30 O BLYS A 6 -10.828 -3.909 -1.807 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.255 -5.351 -3.618 0.50 0.00 C ATOM 32 CB BLYS A 6 -11.701 -6.542 -2.653 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.136 -6.187 -4.881 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.780 -7.635 -3.703 0.50 0.00 C ATOM 35 CD ALYS A 6 -12.428 -7.505 -4.613 0.50 0.00 C ATOM 36 CD BLYS A 6 -11.242 -8.955 -3.175 0.50 0.00 C ATOM 37 CE ALYS A 6 -13.392 -8.680 -4.689 0.50 0.00 C ATOM 38 CE BLYS A 6 -12.368 -9.921 -2.841 0.50 0.00 C ATOM 39 NZ ALYS A 6 -12.719 -9.970 -4.368 0.50 0.00 N ATOM 40 NZ BLYS A 6 -12.418 -11.064 -3.795 0.50 0.00 N ATOM 0 H ALYS A 6 -11.879 -3.024 -4.538 0.50 0.00 H new ATOM 0 H BLYS A 6 -11.098 -5.286 -4.741 0.50 0.00 H new ATOM 0 HA ALYS A 6 -14.687 -3.879 -4.261 0.50 0.00 H new ATOM 0 HA BLYS A 6 -13.456 -5.368 -3.059 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -12.299 -5.360 -3.095 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -10.654 -6.344 -2.424 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.986 -5.813 -2.954 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -12.167 -6.898 -1.734 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -14.130 -6.382 -5.284 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -12.815 -7.763 -4.019 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.589 -5.627 -5.639 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -11.212 -7.336 -4.584 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -11.626 -7.643 -5.339 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -10.584 -9.405 -3.919 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -11.964 -7.476 -3.627 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -10.640 -8.774 -2.284 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -14.217 -8.518 -3.996 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -12.234 -10.299 -1.828 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -13.822 -8.733 -5.689 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -13.320 -9.390 -2.860 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -13.408 -10.746 -4.430 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -13.198 -11.700 -3.534 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -11.947 -10.137 -5.045 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -12.571 -10.705 -4.759 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -12.331 -9.929 -3.404 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -11.519 -11.586 -3.759 0.50 0.00 H new ATOM 67 N ALEU A 7 -14.051 -1.850 -2.643 0.50 0.00 N ATOM 68 N BLEU A 7 -13.012 -3.406 -1.619 0.50 0.00 N ATOM 69 CA ALEU A 7 -14.059 -0.984 -1.470 0.50 0.00 C ATOM 70 CA BLEU A 7 -12.792 -2.313 -0.678 0.50 0.00 C ATOM 71 C ALEU A 7 -15.471 -0.493 -1.166 0.50 0.00 C ATOM 72 C BLEU A 7 -14.117 -1.768 -0.157 0.50 0.00 C ATOM 73 O ALEU A 7 -16.342 -0.452 -2.037 0.50 0.00 O ATOM 74 O BLEU A 7 -15.163 -1.897 -0.794 0.50 0.00 O ATOM 75 CB ALEU A 7 -13.127 0.209 -1.684 0.50 0.00 C ATOM 76 CB BLEU A 7 -11.994 -1.193 -1.348 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.651 -0.025 -1.354 0.50 0.00 C ATOM 78 CG BLEU A 7 -12.754 -0.346 -2.369 0.50 0.00 C ATOM 79 CD1ALEU A 7 -11.164 -1.322 -1.980 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.875 1.092 -1.888 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.807 1.149 -1.828 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.065 -0.400 -3.724 0.50 0.00 C ATOM 0 H ALEU A 7 -14.400 -1.410 -3.495 0.50 0.00 H new ATOM 0 H BLEU A 7 -13.991 -3.566 -1.858 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.704 -1.565 -0.619 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.224 -2.701 0.167 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.201 0.520 -2.726 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.611 -0.532 -0.571 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.487 1.040 -1.077 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.130 -1.636 -1.844 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.548 -0.107 -0.272 0.50 0.00 H new ATOM 0 HG BLEU A 7 -13.758 -0.756 -2.477 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -10.113 -1.472 -1.735 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.419 1.679 -2.628 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.750 -2.156 -1.592 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.413 1.115 -0.940 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.280 -1.270 -3.063 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.880 1.515 -1.750 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.760 0.966 -1.585 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.619 0.208 -4.439 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.915 1.263 -2.907 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.049 -0.016 -3.631 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.140 2.061 -1.332 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.032 -1.432 -4.075 0.50 0.00 H new ATOM 105 N APRO A 8 -15.705 -0.107 0.096 0.50 0.00 N ATOM 106 N BPRO A 8 -14.075 -1.142 1.029 0.50 0.00 N ATOM 107 CA APRO A 8 -17.009 0.392 0.544 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.263 -0.562 1.661 0.50 0.00 C ATOM 109 C APRO A 8 -17.334 1.763 -0.039 0.50 0.00 C ATOM 110 C BPRO A 8 -15.773 0.669 0.918 0.50 0.00 C ATOM 111 O APRO A 8 -16.503 2.408 -0.678 0.50 0.00 O ATOM 112 O BPRO A 8 -15.058 1.288 0.129 0.50 0.00 O ATOM 113 CB APRO A 8 -16.854 0.481 2.063 0.50 0.00 C ATOM 114 CB BPRO A 8 -14.770 -0.178 3.058 0.50 0.00 C ATOM 115 CG APRO A 8 -15.390 0.644 2.284 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.302 0.023 2.900 0.50 0.00 C ATOM 117 CD APRO A 8 -14.715 -0.129 1.186 0.50 0.00 C ATOM 118 CD BPRO A 8 -12.863 -0.951 1.842 0.50 0.00 C ATOM 0 HA APRO A 8 -17.825 -0.256 0.224 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.102 -1.258 1.667 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.412 1.324 2.469 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.258 0.729 3.414 0.50 0.00 H new ATOM 0 HB3APRO A 8 -17.231 -0.417 2.553 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -14.986 -0.962 3.784 0.50 0.00 H new ATOM 0 HG2APRO A 8 -15.106 1.696 2.252 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.078 1.048 2.604 0.50 0.00 H new ATOM 0 HG3APRO A 8 -15.099 0.265 3.264 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -12.780 -0.159 3.839 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.776 0.336 0.886 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.039 -0.555 1.248 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.481 -1.147 1.496 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -12.519 -1.889 2.278 0.50 0.00 H new ATOM 133 N APRO A 9 -18.575 2.222 0.184 0.50 0.00 N ATOM 134 N BPRO A 9 -17.037 1.036 1.176 0.50 0.00 N ATOM 135 CA APRO A 9 -19.039 3.523 -0.309 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.668 2.198 0.543 0.50 0.00 C ATOM 137 C APRO A 9 -18.372 4.687 0.412 0.50 0.00 C ATOM 138 C BPRO A 9 -17.082 3.516 1.035 0.50 0.00 C ATOM 139 O APRO A 9 -18.510 4.842 1.626 0.50 0.00 O ATOM 140 O BPRO A 9 -16.674 3.633 2.188 0.50 0.00 O ATOM 141 CB APRO A 9 -20.541 3.501 -0.012 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.136 2.075 0.962 0.50 0.00 C ATOM 143 CG APRO A 9 -20.687 2.550 1.127 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.103 1.297 2.232 0.50 0.00 C ATOM 145 CD APRO A 9 -19.620 1.508 0.938 0.50 0.00 C ATOM 146 CD BPRO A 9 -17.947 0.345 2.106 0.50 0.00 C ATOM 0 HA APRO A 9 -18.801 3.667 -1.363 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.517 2.207 -0.536 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.907 4.493 0.251 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.589 3.055 1.110 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.112 3.170 -0.880 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.724 1.564 0.200 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.566 3.063 2.081 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -18.973 1.957 3.090 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.678 2.097 1.132 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.038 0.757 2.383 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.245 1.139 1.893 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.472 0.159 3.069 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.994 0.645 0.387 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.263 -0.622 1.715 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.647 5.510 -0.342 0.50 0.00 N ATOM 162 N BGLY A 10 -17.044 4.509 0.149 0.50 0.00 N ATOM 163 CA AGLY A 10 -16.970 6.651 0.243 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.507 5.806 0.513 0.50 0.00 C ATOM 165 C AGLY A 10 -15.463 6.577 0.083 0.50 0.00 C ATOM 166 C BGLY A 10 -15.026 5.924 0.215 0.50 0.00 C ATOM 167 O AGLY A 10 -14.773 7.593 0.163 0.50 0.00 O ATOM 168 O BGLY A 10 -14.555 6.973 -0.226 0.50 0.00 O ATOM 0 H AGLY A 10 -17.517 5.405 -1.348 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.376 4.437 -0.813 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.337 7.565 -0.223 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -17.046 6.584 -0.027 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.217 6.712 1.303 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.676 5.981 1.576 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.954 5.371 -0.142 0.50 0.00 N ATOM 176 N BTRP A 11 -14.288 4.847 0.458 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.519 5.168 -0.313 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.850 4.834 0.215 0.50 0.00 C ATOM 179 C ATRP A 11 -13.153 5.088 -1.791 0.50 0.00 C ATOM 180 C BTRP A 11 -12.549 4.604 -1.261 0.50 0.00 C ATOM 181 O ATRP A 11 -13.965 4.680 -2.619 0.50 0.00 O ATOM 182 O BTRP A 11 -13.305 3.927 -1.959 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.075 3.894 0.404 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.177 3.751 1.060 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.805 4.096 1.864 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.486 3.863 2.524 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.696 3.955 2.892 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.605 3.409 3.162 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.562 4.479 2.460 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.666 4.468 3.529 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.081 4.228 4.089 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.530 3.695 4.503 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.772 4.552 3.852 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.349 4.344 4.754 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.291 4.768 1.956 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.420 5.100 3.513 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.756 4.900 4.741 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.829 4.831 5.950 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.286 5.114 2.838 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.903 5.583 4.701 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.522 5.178 4.218 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.606 5.446 5.905 0.50 0.00 C ATOM 0 H ATRP A 11 -15.512 4.520 -0.210 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.662 3.971 0.823 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.002 6.022 0.125 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.451 5.807 0.501 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.846 3.132 0.287 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.495 2.771 0.703 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.174 3.512 -0.075 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.098 3.808 0.918 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.732 3.671 2.779 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.428 2.900 2.682 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.527 4.195 5.006 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.238 3.462 5.199 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.098 4.722 0.894 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.871 5.209 2.590 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.936 4.949 5.805 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.370 4.728 6.879 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.301 5.339 2.457 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.941 6.074 4.701 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.715 5.452 4.881 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -10.175 5.833 6.816 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.924 5.482 -2.114 0.50 0.00 N ATOM 224 N BGLU A 12 -11.442 5.170 -1.731 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.452 5.455 -3.493 0.50 0.00 C ATOM 226 CA BGLU A 12 -11.046 5.025 -3.127 0.50 0.00 C ATOM 227 C AGLU A 12 -10.099 4.757 -3.591 0.50 0.00 C ATOM 228 C BGLU A 12 -9.683 4.346 -3.237 0.50 0.00 C ATOM 229 O AGLU A 12 -9.105 5.221 -3.030 0.50 0.00 O ATOM 230 O BGLU A 12 -8.839 4.473 -2.350 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.347 6.877 -4.046 0.50 0.00 C ATOM 232 CB BGLU A 12 -11.000 6.392 -3.812 0.50 0.00 C ATOM 233 CG AGLU A 12 -10.844 6.936 -5.480 0.50 0.00 C ATOM 234 CG BGLU A 12 -9.781 7.220 -3.442 0.50 0.00 C ATOM 235 CD AGLU A 12 -10.394 8.327 -5.884 0.50 0.00 C ATOM 236 CD BGLU A 12 -8.979 7.653 -4.654 0.50 0.00 C ATOM 237 OE1AGLU A 12 -10.437 8.637 -7.092 0.50 0.00 O ATOM 238 OE1BGLU A 12 -8.980 6.913 -5.660 0.50 0.00 O ATOM 239 OE2AGLU A 12 -9.997 9.106 -4.991 0.50 0.00 O ATOM 240 OE2BGLU A 12 -8.348 8.728 -4.596 0.50 0.00 O ATOM 0 H AGLU A 12 -11.239 5.823 -1.440 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.805 5.732 -1.167 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.174 4.894 -4.087 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.788 4.401 -3.625 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.327 7.352 -3.993 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -11.016 6.248 -4.892 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.677 7.457 -3.411 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -11.900 6.950 -3.551 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.013 6.241 -5.598 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -10.101 8.103 -2.888 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -11.635 6.605 -6.152 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -9.142 6.641 -2.776 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.068 3.639 -4.307 0.50 0.00 N ATOM 254 N BLYS A 13 -9.477 3.622 -4.332 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.836 2.875 -4.480 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.219 2.921 -4.560 0.50 0.00 C ATOM 257 C ALYS A 13 -7.913 3.553 -5.488 0.50 0.00 C ATOM 258 C BLYS A 13 -7.399 3.615 -5.644 0.50 0.00 C ATOM 259 O ALYS A 13 -8.262 3.708 -6.658 0.50 0.00 O ATOM 260 O BLYS A 13 -7.916 3.943 -6.711 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.156 1.452 -4.944 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.485 1.467 -4.958 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.924 0.595 -5.174 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.228 0.693 -5.313 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.235 -0.883 -5.023 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.558 -0.658 -5.923 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.390 -1.730 -5.963 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.455 -1.132 -6.859 0.50 0.00 C ATOM 269 NZ ALYS A 13 -8.137 -2.919 -6.460 0.50 0.00 N ATOM 270 NZ BLYS A 13 -5.744 -2.322 -6.319 0.50 0.00 N ATOM 0 H ALYS A 13 -10.881 3.241 -4.777 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.165 3.505 -5.076 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.326 2.832 -3.518 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.649 2.937 -3.631 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.789 0.970 -4.199 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.993 0.962 -4.137 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.732 1.501 -5.868 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.164 1.451 -5.810 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.530 0.784 -6.172 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.629 1.273 -6.015 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.146 0.878 -4.465 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.622 0.551 -4.418 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.054 -1.190 -3.993 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.703 -1.391 -5.129 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.292 -1.056 -5.227 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.498 -0.591 -6.471 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -7.069 -1.123 -6.809 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.883 -1.375 -7.831 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.488 -2.058 -5.445 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -5.741 -0.324 -7.018 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -7.466 -3.678 -6.694 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -4.717 -2.165 -6.369 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.792 -3.251 -5.723 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -6.023 -2.473 -5.329 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -8.676 -2.660 -7.311 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -5.994 -3.160 -6.881 0.50 0.00 H new ATOM 297 N AARG A 14 -6.733 3.953 -5.025 0.50 0.00 N ATOM 298 N BARG A 14 -6.117 3.829 -5.362 0.50 0.00 N ATOM 299 CA AARG A 14 -5.759 4.613 -5.887 0.50 0.00 C ATOM 300 CA BARG A 14 -5.227 4.484 -6.313 0.50 0.00 C ATOM 301 C AARG A 14 -4.461 3.815 -5.951 0.50 0.00 C ATOM 302 C BARG A 14 -3.926 3.700 -6.467 0.50 0.00 C ATOM 303 O AARG A 14 -4.185 2.989 -5.083 0.50 0.00 O ATOM 304 O BARG A 14 -3.593 2.861 -5.630 0.50 0.00 O ATOM 305 CB AARG A 14 -5.475 6.030 -5.379 0.50 0.00 C ATOM 306 CB BARG A 14 -4.923 5.912 -5.861 0.50 0.00 C ATOM 307 CG AARG A 14 -6.729 6.809 -5.016 0.50 0.00 C ATOM 308 CG BARG A 14 -6.113 6.853 -5.969 0.50 0.00 C ATOM 309 CD AARG A 14 -6.859 8.073 -5.853 0.50 0.00 C ATOM 310 CD BARG A 14 -5.763 8.108 -6.754 0.50 0.00 C ATOM 311 NE AARG A 14 -6.830 7.788 -7.284 0.50 0.00 N ATOM 312 NE BARG A 14 -6.918 8.982 -6.929 0.50 0.00 N ATOM 313 CZ AARG A 14 -7.319 8.607 -8.207 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.012 9.889 -7.897 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.873 9.758 -7.850 0.50 0.00 N ATOM 316 NH1BARG A 14 -6.027 10.037 -8.770 0.50 0.00 N ATOM 317 NH2AARG A 14 -7.257 8.276 -9.491 0.50 0.00 N ATOM 318 NH2BARG A 14 -8.097 10.648 -7.992 0.50 0.00 N ATOM 0 H AARG A 14 -6.428 3.832 -4.059 0.50 0.00 H new ATOM 0 H BARG A 14 -5.673 3.559 -4.484 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.179 4.671 -6.891 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.730 4.516 -7.280 0.50 0.00 H new ATOM 0 HB2AARG A 14 -4.828 5.970 -4.504 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.580 5.891 -4.827 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.926 6.578 -6.144 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.103 6.307 -6.461 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.606 6.180 -5.166 0.50 0.00 H new ATOM 0 HG2BARG A 14 -6.942 6.338 -6.455 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.702 7.072 -3.959 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.451 7.130 -4.970 0.50 0.00 H new ATOM 0 HD2AARG A 14 -7.792 8.579 -5.603 0.50 0.00 H new ATOM 0 HD2BARG A 14 -4.972 8.651 -6.236 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.048 8.758 -5.603 0.50 0.00 H new ATOM 0 HD3BARG A 14 -5.370 7.827 -7.731 0.50 0.00 H new ATOM 0 HE AARG A 14 -6.411 6.911 -7.592 0.50 0.00 H new ATOM 0 HE BARG A 14 -7.695 8.893 -6.274 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.924 10.015 -6.864 0.50 0.00 H new ATOM 0 HH11BARG A 14 -5.193 9.454 -8.701 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.248 10.386 -8.561 0.50 0.00 H new ATOM 0 HH12BARG A 14 -6.103 10.734 -9.511 0.50 0.00 H new ATOM 0 HH21AARG A 14 -6.833 7.391 -9.770 0.50 0.00 H new ATOM 0 HH21BARG A 14 -8.858 10.535 -7.323 0.50 0.00 H new ATOM 0 HH22AARG A 14 -7.633 8.907 -10.199 0.50 0.00 H new ATOM 0 HH22BARG A 14 -8.169 11.344 -8.734 0.50 0.00 H new ATOM 345 N AMET A 15 -3.670 4.069 -6.989 0.50 0.00 N ATOM 346 N BMET A 15 -3.194 3.982 -7.539 0.50 0.00 N ATOM 347 CA AMET A 15 -2.401 3.373 -7.168 0.50 0.00 C ATOM 348 CA BMET A 15 -1.930 3.304 -7.801 0.50 0.00 C ATOM 349 C AMET A 15 -1.275 4.360 -7.458 0.50 0.00 C ATOM 350 C BMET A 15 -0.828 4.311 -8.116 0.50 0.00 C ATOM 351 O AMET A 15 -1.465 5.334 -8.188 0.50 0.00 O ATOM 352 O BMET A 15 -0.793 4.886 -9.204 0.50 0.00 O ATOM 353 CB AMET A 15 -2.507 2.355 -8.305 0.50 0.00 C ATOM 354 CB BMET A 15 -2.084 2.320 -8.962 0.50 0.00 C ATOM 355 CG AMET A 15 -1.620 1.135 -8.114 0.50 0.00 C ATOM 356 CG BMET A 15 -1.670 0.900 -8.613 0.50 0.00 C ATOM 357 SD AMET A 15 -2.565 -0.390 -7.934 0.50 0.00 S ATOM 358 SD BMET A 15 -2.839 0.089 -7.505 0.50 0.00 S ATOM 359 CE AMET A 15 -2.493 -1.032 -9.606 0.50 0.00 C ATOM 360 CE BMET A 15 -3.360 -1.295 -8.516 0.50 0.00 C ATOM 0 H AMET A 15 -3.885 4.750 -7.717 0.50 0.00 H new ATOM 0 H BMET A 15 -3.454 4.675 -8.240 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.171 2.848 -6.241 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.650 2.753 -6.903 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.543 2.030 -8.395 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.124 2.317 -9.289 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.243 2.842 -9.244 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.486 2.668 -9.804 0.50 0.00 H new ATOM 0 HG2AMET A 15 -0.948 1.043 -8.967 0.50 0.00 H new ATOM 0 HG2BMET A 15 -1.579 0.317 -9.529 0.50 0.00 H new ATOM 0 HG3AMET A 15 -0.997 1.278 -7.231 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.685 0.917 -8.147 0.50 0.00 H new ATOM 0 HE1AMET A 15 -3.035 -1.977 -9.657 0.50 0.00 H new ATOM 0 HE1BMET A 15 -4.400 -1.158 -8.812 0.50 0.00 H new ATOM 0 HE2AMET A 15 -2.947 -0.316 -10.291 0.50 0.00 H new ATOM 0 HE2BMET A 15 -2.733 -1.352 -9.406 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.453 -1.195 -9.889 0.50 0.00 H new ATOM 0 HE3BMET A 15 -3.264 -2.219 -7.945 0.50 0.00 H new ATOM 379 N ASER A 16 -0.104 4.105 -6.884 0.50 0.00 N ATOM 380 N BSER A 16 0.069 4.520 -7.157 0.50 0.00 N ATOM 381 CA ASER A 16 1.049 4.973 -7.078 0.50 0.00 C ATOM 382 CA BSER A 16 1.169 5.460 -7.332 0.50 0.00 C ATOM 383 C ASER A 16 1.737 4.674 -8.408 0.50 0.00 C ATOM 384 C BSER A 16 2.212 4.903 -8.295 0.50 0.00 C ATOM 385 O ASER A 16 1.579 3.590 -8.971 0.50 0.00 O ATOM 386 O BSER A 16 2.684 3.777 -8.135 0.50 0.00 O ATOM 387 CB ASER A 16 2.043 4.803 -5.929 0.50 0.00 C ATOM 388 CB BSER A 16 1.820 5.772 -5.983 0.50 0.00 C ATOM 389 OG ASER A 16 1.764 5.709 -4.875 0.50 0.00 O ATOM 390 OG BSER A 16 2.198 7.136 -5.903 0.50 0.00 O ATOM 0 H ASER A 16 0.071 3.302 -6.280 0.50 0.00 H new ATOM 0 H BSER A 16 0.055 4.051 -6.251 0.50 0.00 H new ATOM 0 HA ASER A 16 0.696 6.004 -7.094 0.50 0.00 H new ATOM 0 HA BSER A 16 0.764 6.380 -7.754 0.50 0.00 H new ATOM 0 HB2ASER A 16 2.000 3.780 -5.555 0.50 0.00 H new ATOM 0 HB2BSER A 16 1.125 5.536 -5.177 0.50 0.00 H new ATOM 0 HB3ASER A 16 3.057 4.966 -6.294 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.697 5.139 -5.844 0.50 0.00 H new ATOM 0 HG ASER A 16 0.795 5.832 -4.798 0.50 0.00 H new ATOM 0 HG BSER A 16 2.610 7.311 -5.031 0.50 0.00 H new ATOM 401 N AARG A 17 2.501 5.643 -8.904 0.50 0.00 N ATOM 402 N BARG A 17 2.569 5.700 -9.296 0.50 0.00 N ATOM 403 CA AARG A 17 3.211 5.485 -10.166 0.50 0.00 C ATOM 404 CA BARG A 17 3.556 5.289 -10.287 0.50 0.00 C ATOM 405 C AARG A 17 4.391 4.528 -10.011 0.50 0.00 C ATOM 406 C BARG A 17 4.960 5.287 -9.689 0.50 0.00 C ATOM 407 O AARG A 17 4.402 3.443 -10.589 0.50 0.00 O ATOM 408 O BARG A 17 5.154 5.661 -8.534 0.50 0.00 O ATOM 409 CB AARG A 17 3.705 6.842 -10.671 0.50 0.00 C ATOM 410 CB BARG A 17 3.510 6.219 -11.502 0.50 0.00 C ATOM 411 CG AARG A 17 4.562 6.750 -11.923 0.50 0.00 C ATOM 412 CG BARG A 17 4.225 7.541 -11.285 0.50 0.00 C ATOM 413 CD AARG A 17 5.225 8.082 -12.244 0.50 0.00 C ATOM 414 CD BARG A 17 3.478 8.693 -11.937 0.50 0.00 C ATOM 415 NE AARG A 17 4.248 9.158 -12.385 0.50 0.00 N ATOM 416 NE BARG A 17 3.179 8.424 -13.342 0.50 0.00 N ATOM 417 CZ AARG A 17 4.494 10.293 -13.032 0.50 0.00 C ATOM 418 CZ BARG A 17 2.691 9.336 -14.176 0.50 0.00 C ATOM 419 NH1AARG A 17 5.677 10.496 -13.595 0.50 0.00 N ATOM 420 NH1BARG A 17 2.448 10.569 -13.749 0.50 0.00 N ATOM 421 NH2AARG A 17 3.554 11.225 -13.118 0.50 0.00 N ATOM 422 NH2BARG A 17 2.444 9.016 -15.440 0.50 0.00 N ATOM 0 H AARG A 17 2.643 6.545 -8.450 0.50 0.00 H new ATOM 0 H BARG A 17 2.189 6.635 -9.442 0.50 0.00 H new ATOM 0 HA AARG A 17 2.517 5.064 -10.894 0.50 0.00 H new ATOM 0 HA BARG A 17 3.313 4.275 -10.604 0.50 0.00 H new ATOM 0 HB2AARG A 17 2.845 7.479 -10.876 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.957 5.710 -12.356 0.50 0.00 H new ATOM 0 HB3AARG A 17 4.280 7.327 -9.882 0.50 0.00 H new ATOM 0 HB3BARG A 17 2.469 6.417 -11.758 0.50 0.00 H new ATOM 0 HG2AARG A 17 5.327 5.985 -11.786 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.326 7.730 -10.216 0.50 0.00 H new ATOM 0 HG3AARG A 17 3.945 6.437 -12.765 0.50 0.00 H new ATOM 0 HG3BARG A 17 5.233 7.482 -11.695 0.50 0.00 H new ATOM 0 HD2AARG A 17 5.932 8.335 -11.454 0.50 0.00 H new ATOM 0 HD2BARG A 17 2.549 8.875 -11.397 0.50 0.00 H new ATOM 0 HD3AARG A 17 5.798 7.989 -13.167 0.50 0.00 H new ATOM 0 HD3BARG A 17 4.075 9.602 -11.861 0.50 0.00 H new ATOM 0 HE AARG A 17 3.327 9.032 -11.964 0.50 0.00 H new ATOM 0 HE BARG A 17 3.354 7.486 -13.702 0.50 0.00 H new ATOM 0 HH11AARG A 17 6.401 9.780 -13.532 0.50 0.00 H new ATOM 0 HH11BARG A 17 2.636 10.819 -12.778 0.50 0.00 H new ATOM 0 HH12AARG A 17 5.863 11.368 -14.091 0.50 0.00 H new ATOM 0 HH12BARG A 17 2.073 11.267 -14.392 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.642 11.071 -12.688 0.50 0.00 H new ATOM 0 HH21BARG A 17 2.629 8.069 -15.772 0.50 0.00 H new ATOM 0 HH22AARG A 17 3.743 12.096 -13.614 0.50 0.00 H new ATOM 0 HH22BARG A 17 2.069 9.717 -16.080 0.50 0.00 H new ATOM 449 N AASN A 18 5.381 4.942 -9.226 0.50 0.00 N ATOM 450 N BASN A 18 5.937 4.862 -10.485 0.50 0.00 N ATOM 451 CA AASN A 18 6.565 4.123 -8.994 0.50 0.00 C ATOM 452 CA BASN A 18 7.322 4.809 -10.034 0.50 0.00 C ATOM 453 C AASN A 18 6.305 3.087 -7.903 0.50 0.00 C ATOM 454 C BASN A 18 7.433 4.074 -8.700 0.50 0.00 C ATOM 455 O AASN A 18 5.722 3.396 -6.866 0.50 0.00 O ATOM 456 O BASN A 18 8.273 4.408 -7.864 0.50 0.00 O ATOM 457 CB AASN A 18 7.754 5.004 -8.604 0.50 0.00 C ATOM 458 CB BASN A 18 7.890 6.225 -9.897 0.50 0.00 C ATOM 459 CG AASN A 18 8.034 6.082 -9.632 0.50 0.00 C ATOM 460 CG BASN A 18 8.353 6.791 -11.224 0.50 0.00 C ATOM 461 OD1AASN A 18 7.621 5.978 -10.787 0.50 0.00 O ATOM 462 OD1BASN A 18 7.853 6.410 -12.284 0.50 0.00 O ATOM 463 ND2AASN A 18 8.740 7.127 -9.215 0.50 0.00 N ATOM 464 ND2BASN A 18 9.314 7.706 -11.174 0.50 0.00 N ATOM 0 H AASN A 18 5.387 5.839 -8.740 0.50 0.00 H new ATOM 0 H BASN A 18 5.794 4.550 -11.445 0.50 0.00 H new ATOM 0 HA AASN A 18 6.800 3.599 -9.920 0.50 0.00 H new ATOM 0 HA BASN A 18 7.900 4.262 -10.779 0.50 0.00 H new ATOM 0 HB2AASN A 18 7.557 5.469 -7.638 0.50 0.00 H new ATOM 0 HB2BASN A 18 7.129 6.879 -9.471 0.50 0.00 H new ATOM 0 HB3AASN A 18 8.640 4.381 -8.483 0.50 0.00 H new ATOM 0 HB3BASN A 18 8.727 6.212 -9.198 0.50 0.00 H new ATOM 0 HD21AASN A 18 8.960 7.885 -9.861 0.50 0.00 H new ATOM 0 HD21BASN A 18 9.667 8.123 -12.036 0.50 0.00 H new ATOM 0 HD22AASN A 18 9.062 7.172 -8.248 0.50 0.00 H new ATOM 0 HD22BASN A 18 9.699 7.992 -10.274 0.50 0.00 H new ATOM 477 N ASER A 19 6.746 1.856 -8.147 0.50 0.00 N ATOM 478 N BSER A 19 6.578 3.075 -8.511 0.50 0.00 N ATOM 479 CA ASER A 19 6.560 0.775 -7.188 0.50 0.00 C ATOM 480 CA BSER A 19 6.577 2.294 -7.278 0.50 0.00 C ATOM 481 C ASER A 19 5.095 0.351 -7.125 0.50 0.00 C ATOM 482 C BSER A 19 5.611 1.119 -7.380 0.50 0.00 C ATOM 483 O ASER A 19 4.726 -0.534 -6.352 0.50 0.00 O ATOM 484 O BSER A 19 5.873 0.036 -6.859 0.50 0.00 O ATOM 485 CB ASER A 19 7.037 1.206 -5.800 0.50 0.00 C ATOM 486 CB BSER A 19 6.200 3.179 -6.089 0.50 0.00 C ATOM 487 OG ASER A 19 8.103 0.388 -5.350 0.50 0.00 O ATOM 488 OG BSER A 19 4.857 3.621 -6.188 0.50 0.00 O ATOM 0 H ASER A 19 7.234 1.584 -9.000 0.50 0.00 H new ATOM 0 H BSER A 19 5.878 2.787 -9.194 0.50 0.00 H new ATOM 0 HA ASER A 19 7.154 -0.077 -7.520 0.50 0.00 H new ATOM 0 HA BSER A 19 7.582 1.902 -7.125 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.361 2.246 -5.830 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.336 2.624 -5.161 0.50 0.00 H new ATOM 0 HB3ASER A 19 6.209 1.150 -5.094 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.867 4.040 -6.046 0.50 0.00 H new ATOM 0 HG ASER A 19 8.391 0.685 -4.462 0.50 0.00 H new ATOM 0 HG BSER A 19 4.784 4.287 -6.903 0.50 0.00 H new ATOM 499 N AGLY A 20 4.266 0.988 -7.945 0.50 0.00 N ATOM 500 N BGLY A 20 4.488 1.342 -8.057 0.50 0.00 N ATOM 501 CA AGLY A 20 2.851 0.664 -7.967 0.50 0.00 C ATOM 502 CA BGLY A 20 3.495 0.294 -8.216 0.50 0.00 C ATOM 503 C AGLY A 20 2.289 0.421 -6.581 0.50 0.00 C ATOM 504 C BGLY A 20 2.871 -0.117 -6.897 0.50 0.00 C ATOM 505 O AGLY A 20 1.448 -0.457 -6.389 0.50 0.00 O ATOM 506 O BGLY A 20 2.716 -1.307 -6.619 0.50 0.00 O ATOM 0 H AGLY A 20 4.548 1.722 -8.594 0.50 0.00 H new ATOM 0 H BGLY A 20 4.248 2.230 -8.498 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.303 1.479 -8.440 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.713 0.638 -8.893 0.50 0.00 H new ATOM 0 HA3AGLY A 20 2.694 -0.224 -8.580 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.960 -0.575 -8.681 0.50 0.00 H new ATOM 513 N AARG A 21 2.758 1.198 -5.609 0.50 0.00 N ATOM 514 N BARG A 21 2.512 0.867 -6.081 0.50 0.00 N ATOM 515 CA AARG A 21 2.299 1.061 -4.233 0.50 0.00 C ATOM 516 CA BARG A 21 1.904 0.602 -4.782 0.50 0.00 C ATOM 517 C AARG A 21 0.818 1.412 -4.115 0.50 0.00 C ATOM 518 C BARG A 21 0.389 0.773 -4.848 0.50 0.00 C ATOM 519 O AARG A 21 0.392 2.494 -4.520 0.50 0.00 O ATOM 520 O BARG A 21 -0.170 1.057 -5.907 0.50 0.00 O ATOM 521 CB AARG A 21 3.122 1.959 -3.306 0.50 0.00 C ATOM 522 CB BARG A 21 2.487 1.536 -3.721 0.50 0.00 C ATOM 523 CG AARG A 21 4.416 1.319 -2.830 0.50 0.00 C ATOM 524 CG BARG A 21 3.113 0.804 -2.544 0.50 0.00 C ATOM 525 CD AARG A 21 5.513 2.354 -2.643 0.50 0.00 C ATOM 526 CD BARG A 21 4.421 1.450 -2.117 0.50 0.00 C ATOM 527 NE AARG A 21 5.191 3.308 -1.585 0.50 0.00 N ATOM 528 NE BARG A 21 4.211 2.755 -1.499 0.50 0.00 N ATOM 529 CZ AARG A 21 4.689 4.517 -1.815 0.50 0.00 C ATOM 530 CZ BARG A 21 4.380 3.908 -2.138 0.50 0.00 C ATOM 531 NH1AARG A 21 4.452 4.915 -3.056 0.50 0.00 N ATOM 532 NH1BARG A 21 4.760 3.916 -3.407 0.50 0.00 N ATOM 533 NH2AARG A 21 4.421 5.329 -0.799 0.50 0.00 N ATOM 534 NH2BARG A 21 4.169 5.055 -1.506 0.50 0.00 N ATOM 0 H AARG A 21 3.456 1.929 -5.750 0.50 0.00 H new ATOM 0 H BARG A 21 2.631 1.857 -6.296 0.50 0.00 H new ATOM 0 HA AARG A 21 2.433 0.021 -3.934 0.50 0.00 H new ATOM 0 HA BARG A 21 2.126 -0.429 -4.508 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.356 2.888 -3.827 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.240 2.173 -4.184 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.517 2.224 -2.439 0.50 0.00 H new ATOM 0 HB3BARG A 21 1.698 2.191 -3.353 0.50 0.00 H new ATOM 0 HG2AARG A 21 4.241 0.799 -1.888 0.50 0.00 H new ATOM 0 HG2BARG A 21 2.417 0.800 -1.705 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.740 0.570 -3.553 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.291 -0.237 -2.815 0.50 0.00 H new ATOM 0 HD2AARG A 21 6.450 1.850 -2.404 0.50 0.00 H new ATOM 0 HD2BARG A 21 4.936 0.795 -1.414 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.669 2.890 -3.579 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.071 1.560 -2.985 0.50 0.00 H new ATOM 0 HE AARG A 21 5.360 3.032 -0.618 0.50 0.00 H new ATOM 0 HE BARG A 21 3.918 2.784 -0.522 0.50 0.00 H new ATOM 0 HH11AARG A 21 4.655 4.293 -3.839 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.924 3.036 -3.896 0.50 0.00 H new ATOM 0 HH12AARG A 21 4.067 5.843 -3.229 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.889 4.802 -3.895 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.600 5.025 0.158 0.50 0.00 H new ATOM 0 HH21BARG A 21 3.877 5.053 -0.529 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.036 6.257 -0.976 0.50 0.00 H new ATOM 0 HH22BARG A 21 4.299 5.939 -1.997 0.50 0.00 H new ATOM 561 N AVAL A 22 0.040 0.490 -3.557 0.50 0.00 N ATOM 562 N BVAL A 22 -0.271 0.596 -3.708 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.392 0.701 -3.387 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.721 0.731 -3.634 0.50 0.00 C ATOM 565 C AVAL A 22 -1.680 1.544 -2.148 0.50 0.00 C ATOM 566 C BVAL A 22 -2.168 1.099 -2.223 0.50 0.00 C ATOM 567 O AVAL A 22 -1.056 1.363 -1.103 0.50 0.00 O ATOM 568 O BVAL A 22 -1.652 0.571 -1.240 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.147 -0.636 -3.269 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.428 -0.569 -4.062 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.633 -0.394 -3.054 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.171 -1.675 -3.049 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.912 -1.491 -4.505 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.920 -0.330 -4.237 0.50 0.00 C ATOM 0 H AVAL A 22 0.378 -0.410 -3.215 0.50 0.00 H new ATOM 0 H BVAL A 22 0.176 0.359 -2.822 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.741 1.230 -4.274 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.000 1.531 -4.320 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.762 -1.175 -2.403 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.019 -0.886 -5.021 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.149 -1.350 -2.973 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -2.678 -2.586 -3.368 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.780 0.176 -2.137 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.099 -1.862 -2.979 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.036 0.166 -3.898 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -2.551 -1.371 -2.074 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.453 -2.432 -4.405 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.404 -1.259 -4.539 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.268 -0.960 -5.388 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.347 0.011 -3.294 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.846 -1.694 -4.609 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.080 0.429 -5.003 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.627 2.466 -2.275 0.50 0.00 N ATOM 594 N BTYR A 23 -3.132 2.009 -2.134 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.995 3.340 -1.167 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.648 2.451 -0.843 0.50 0.00 C ATOM 597 C ATYR A 23 -4.445 3.799 -1.295 0.50 0.00 C ATOM 598 C BTYR A 23 -5.116 2.853 -0.952 0.50 0.00 C ATOM 599 O ATYR A 23 -4.887 4.204 -2.371 0.50 0.00 O ATOM 600 O BTYR A 23 -5.691 2.856 -2.041 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.067 4.553 -1.115 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.823 3.625 -0.314 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.272 5.523 -2.256 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.848 4.838 -1.219 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.089 6.638 -2.107 0.50 0.00 C ATOM 606 CD1BTYR A 23 -1.910 4.991 -2.232 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.653 5.325 -3.484 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.808 5.828 -1.059 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.281 7.526 -3.147 0.50 0.00 C ATOM 610 CE1BTYR A 23 -1.926 6.098 -3.060 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.839 6.209 -4.529 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.834 6.936 -1.883 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.654 7.307 -4.357 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.892 7.067 -2.882 0.50 0.00 C ATOM 615 OH ATYR A 23 -2.841 8.189 -5.396 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.913 8.170 -3.703 0.50 0.00 O ATOM 0 H ATYR A 23 -3.154 2.628 -3.133 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.572 2.455 -2.939 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.892 2.774 -0.241 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.569 1.618 -0.145 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.221 5.077 -0.172 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.198 3.908 0.670 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.033 4.209 -1.123 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.790 3.302 -0.181 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.582 6.813 -1.162 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.155 4.232 -2.375 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -1.015 4.465 -3.624 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.547 5.730 -0.277 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -3.919 8.388 -3.014 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.187 6.204 -3.841 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.348 6.041 -5.476 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.589 7.696 -1.746 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.328 7.890 -6.176 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.656 8.755 -3.446 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.179 3.736 -0.190 0.50 0.00 N ATOM 636 N BTYR A 24 -5.715 3.193 0.182 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.579 4.145 -0.177 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.116 3.597 0.216 0.50 0.00 C ATOM 639 C ATYR A 24 -6.734 5.540 0.421 0.50 0.00 C ATOM 640 C BTYR A 24 -7.265 4.999 0.800 0.50 0.00 C ATOM 641 O ATYR A 24 -6.008 5.919 1.341 0.50 0.00 O ATOM 642 O BTYR A 24 -6.793 5.280 1.902 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.416 3.142 0.617 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.935 2.602 1.040 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.111 1.699 0.284 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.890 1.189 0.501 0.50 0.00 C ATOM 647 CD1ATYR A 24 -6.567 0.846 1.238 0.50 0.00 C ATOM 648 CD1BTYR A 24 -7.006 0.253 1.023 0.50 0.00 C ATOM 649 CD2ATYR A 24 -7.364 1.188 -0.983 0.50 0.00 C ATOM 650 CD2BTYR A 24 -8.731 0.790 -0.531 0.50 0.00 C ATOM 651 CE1ATYR A 24 -6.284 -0.472 0.937 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.961 -1.038 0.534 0.50 0.00 C ATOM 653 CE2ATYR A 24 -7.086 -0.130 -1.290 0.50 0.00 C ATOM 654 CE2BTYR A 24 -8.693 -0.498 -1.026 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.547 -0.956 -0.327 0.50 0.00 C ATOM 656 CZ BTYR A 24 -7.806 -1.409 -0.490 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.268 -2.269 -0.631 0.50 0.00 O ATOM 658 OH BTYR A 24 -7.765 -2.693 -0.981 0.50 0.00 O ATOM 0 H ATYR A 24 -4.828 3.406 0.709 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.253 3.197 1.091 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.934 4.170 -1.207 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.489 3.607 -0.808 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.247 3.304 1.682 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.567 2.603 2.066 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.472 3.334 0.429 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.972 2.937 1.073 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -6.362 1.220 2.230 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.342 0.540 1.825 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -7.785 1.832 -1.741 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -9.427 1.500 -0.953 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -5.859 -1.121 1.688 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -6.268 -1.753 0.952 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -7.290 -0.511 -2.280 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -9.354 -0.791 -1.828 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.514 -2.448 -1.563 0.50 0.00 H new ATOM 0 HH BTYR A 24 -8.425 -2.790 -1.699 0.50 0.00 H new ATOM 677 N APHE A 25 -7.686 6.300 -0.109 0.50 0.00 N ATOM 678 N BPHE A 25 -7.926 5.875 0.051 0.50 0.00 N ATOM 679 CA APHE A 25 -7.937 7.655 0.371 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.140 7.249 0.492 0.50 0.00 C ATOM 681 C APHE A 25 -9.435 7.931 0.451 0.50 0.00 C ATOM 682 C BPHE A 25 -9.626 7.591 0.508 0.50 0.00 C ATOM 683 O APHE A 25 -10.148 7.851 -0.547 0.50 0.00 O ATOM 684 O BPHE A 25 -10.346 7.319 -0.451 0.50 0.00 O ATOM 685 CB APHE A 25 -7.268 8.677 -0.550 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.390 8.222 -0.422 0.50 0.00 C ATOM 687 CG APHE A 25 -6.686 9.852 0.182 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.649 9.666 -0.100 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.417 11.019 0.340 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.556 10.403 -0.845 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.408 9.790 0.714 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.985 10.288 0.946 0.50 0.00 C ATOM 693 CE1APHE A 25 -6.884 12.101 1.015 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.797 11.732 -0.552 0.50 0.00 C ATOM 695 CE2APHE A 25 -4.870 10.869 1.390 0.50 0.00 C ATOM 696 CE2BPHE A 25 -7.223 11.615 1.243 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.608 12.027 1.539 0.50 0.00 C ATOM 698 CZ BPHE A 25 -8.129 12.339 0.492 0.50 0.00 C ATOM 0 H APHE A 25 -8.296 6.002 -0.870 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.323 5.659 -0.863 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.513 7.746 1.371 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.754 7.343 1.507 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.477 8.183 -1.115 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.320 8.027 -0.347 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.000 9.036 -1.274 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.677 8.031 -1.456 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.414 11.084 -0.069 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -9.081 9.933 -1.664 0.50 0.00 H new ATOM 0 HD2APHE A 25 -4.825 8.888 0.599 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -6.274 9.728 1.535 0.50 0.00 H new ATOM 0 HE1APHE A 25 -7.465 13.004 1.133 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.507 12.295 -1.139 0.50 0.00 H new ATOM 0 HE2APHE A 25 -3.873 10.807 1.801 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.701 12.087 2.062 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.188 12.873 2.064 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.314 13.378 0.722 0.50 0.00 H new ATOM 717 N AASN A 26 -9.907 8.260 1.652 0.50 0.00 N ATOM 718 N BASN A 26 -10.077 8.190 1.605 0.50 0.00 N ATOM 719 CA AASN A 26 -11.319 8.549 1.864 0.50 0.00 C ATOM 720 CA BASN A 26 -11.478 8.570 1.748 0.50 0.00 C ATOM 721 C AASN A 26 -11.617 10.025 1.617 0.50 0.00 C ATOM 722 C BASN A 26 -11.608 10.047 2.107 0.50 0.00 C ATOM 723 O AASN A 26 -11.011 10.903 2.233 0.50 0.00 O ATOM 724 O BASN A 26 -11.002 10.517 3.069 0.50 0.00 O ATOM 725 CB AASN A 26 -11.730 8.167 3.288 0.50 0.00 C ATOM 726 CB BASN A 26 -12.154 7.710 2.817 0.50 0.00 C ATOM 727 CG AASN A 26 -13.236 8.136 3.467 0.50 0.00 C ATOM 728 CG BASN A 26 -13.566 8.170 3.123 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.979 8.701 2.665 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.929 8.373 4.281 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.691 7.474 4.523 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.372 8.338 2.079 0.50 0.00 N ATOM 0 H AASN A 26 -9.331 8.332 2.491 0.50 0.00 H new ATOM 0 H BASN A 26 -9.493 8.423 2.408 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.895 7.957 1.153 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.974 8.404 0.792 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.318 7.188 3.532 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.177 6.673 2.483 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.298 8.879 3.991 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.560 7.738 3.731 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.695 7.418 4.696 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.334 8.647 2.222 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.037 7.021 5.161 0.50 0.00 H new ATOM 0 HD22BASN A 26 -14.029 8.158 1.136 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.552 10.290 0.711 0.50 0.00 N ATOM 746 N BHIS A 27 -12.405 10.772 1.328 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.930 11.660 0.381 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.616 12.196 1.566 0.50 0.00 C ATOM 749 C AHIS A 27 -13.877 12.231 1.435 0.50 0.00 C ATOM 750 C BHIS A 27 -13.521 12.416 2.775 0.50 0.00 C ATOM 751 O AHIS A 27 -14.235 13.408 1.389 0.50 0.00 O ATOM 752 O BHIS A 27 -13.513 13.488 3.380 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.590 11.713 -0.997 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.228 12.854 0.329 0.50 0.00 C ATOM 755 CG AHIS A 27 -15.031 11.304 -0.987 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.371 12.084 -0.257 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.043 12.124 -0.532 0.50 0.00 N ATOM 758 ND1BHIS A 27 -15.536 11.827 0.432 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.628 10.155 -1.380 0.50 0.00 C ATOM 760 CD2BHIS A 27 -14.522 11.517 -1.475 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.200 11.497 -0.645 0.50 0.00 C ATOM 762 CE1BHIS A 27 -16.356 11.133 -0.338 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.976 10.301 -1.156 0.50 0.00 N ATOM 764 NE2BHIS A 27 -15.763 10.930 -1.501 0.50 0.00 N ATOM 0 H AHIS A 27 -13.062 9.575 0.192 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.915 10.398 0.528 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.024 12.266 0.364 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.648 12.654 1.771 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.511 12.727 -1.390 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.572 13.854 0.593 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.041 11.063 -1.679 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.454 12.973 -0.429 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -15.917 13.068 -0.165 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -15.137 9.286 -1.792 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -13.800 11.524 -2.278 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.165 11.895 -0.367 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -17.343 10.790 -0.063 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -16.162 10.420 -2.289 0.50 0.00 H new ATOM 779 N AILE A 28 -14.281 11.387 2.378 0.50 0.00 N ATOM 780 N BILE A 28 -14.302 11.396 3.118 0.50 0.00 N ATOM 781 CA AILE A 28 -15.186 11.808 3.441 0.50 0.00 C ATOM 782 CA BILE A 28 -15.211 11.480 4.253 0.50 0.00 C ATOM 783 C AILE A 28 -14.416 12.179 4.703 0.50 0.00 C ATOM 784 C BILE A 28 -14.453 11.382 5.574 0.50 0.00 C ATOM 785 O AILE A 28 -14.648 13.232 5.300 0.50 0.00 O ATOM 786 O BILE A 28 -14.871 11.947 6.586 0.50 0.00 O ATOM 787 CB AILE A 28 -16.205 10.705 3.781 0.50 0.00 C ATOM 788 CB BILE A 28 -16.276 10.370 4.204 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.957 10.270 2.523 0.50 0.00 C ATOM 790 CG1BILE A 28 -17.327 10.686 3.139 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.178 11.193 4.845 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.931 10.202 5.566 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.261 9.559 2.812 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.469 9.696 3.099 0.50 0.00 C ATOM 0 H AILE A 28 -13.997 10.409 2.428 0.50 0.00 H new ATOM 0 H BILE A 28 -14.323 10.503 2.626 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.720 12.684 3.073 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.704 12.450 4.190 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.667 9.843 4.176 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.787 9.432 3.939 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.160 11.148 1.909 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.728 11.683 3.322 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.316 9.612 1.936 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.845 10.711 2.162 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.892 10.402 5.075 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.682 9.413 5.514 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.627 11.458 5.747 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.174 9.935 6.303 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.712 12.068 4.476 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.408 11.138 5.858 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.739 9.280 1.873 0.50 0.00 H new ATOM 0 HD11BILE A 28 -19.174 9.985 2.320 0.50 0.00 H new ATOM 0 HD12AILE A 28 -18.064 8.662 3.399 0.50 0.00 H new ATOM 0 HD12BILE A 28 -18.080 8.700 2.885 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.921 10.222 3.372 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.977 9.688 4.063 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.494 11.309 5.107 0.50 0.00 N ATOM 818 N BTHR A 29 -13.333 10.665 5.556 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.688 11.546 6.297 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.516 10.495 6.750 0.50 0.00 C ATOM 821 C ATHR A 29 -11.287 12.016 5.929 0.50 0.00 C ATOM 822 C BTHR A 29 -11.337 11.462 6.751 0.50 0.00 C ATOM 823 O ATHR A 29 -10.438 12.212 6.798 0.50 0.00 O ATOM 824 O BTHR A 29 -10.846 11.854 7.809 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.580 10.277 7.164 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.984 9.055 6.866 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.957 9.225 6.417 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.212 8.722 5.707 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.955 9.824 7.635 0.50 0.00 C ATOM 830 CG2BTHR A 29 -13.131 8.065 7.018 0.50 0.00 C ATOM 0 H ATHR A 29 -13.288 10.433 4.626 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.972 10.193 4.727 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.191 12.326 6.868 0.50 0.00 H new ATOM 0 HA BTHR A 29 -13.158 10.707 7.605 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.973 10.512 8.038 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.352 8.996 7.752 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.891 8.422 6.975 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.950 7.779 5.748 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.853 8.927 8.245 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.731 7.054 7.098 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.416 10.615 8.227 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.700 8.302 7.917 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.582 9.606 6.771 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.784 8.129 6.148 0.50 0.00 H new ATOM 845 N AASN A 30 -11.049 12.194 4.633 0.50 0.00 N ATOM 846 N BASN A 30 -10.889 11.843 5.560 0.50 0.00 N ATOM 847 CA AASN A 30 -9.748 12.643 4.149 0.50 0.00 C ATOM 848 CA BASN A 30 -9.768 12.764 5.424 0.50 0.00 C ATOM 849 C AASN A 30 -8.621 11.844 4.797 0.50 0.00 C ATOM 850 C BASN A 30 -8.469 12.113 5.891 0.50 0.00 C ATOM 851 O AASN A 30 -7.506 12.339 4.954 0.50 0.00 O ATOM 852 O BASN A 30 -7.635 12.755 6.529 0.50 0.00 O ATOM 853 CB AASN A 30 -9.560 14.134 4.432 0.50 0.00 C ATOM 854 CB BASN A 30 -10.027 14.040 6.226 0.50 0.00 C ATOM 855 CG AASN A 30 -10.878 14.884 4.479 0.50 0.00 C ATOM 856 CG BASN A 30 -9.633 15.293 5.469 0.50 0.00 C ATOM 857 OD1AASN A 30 -11.176 15.579 5.450 0.50 0.00 O ATOM 858 OD1BASN A 30 -10.370 16.277 5.447 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.675 14.746 3.425 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.465 15.258 4.838 0.50 0.00 N ATOM 0 H AASN A 30 -11.740 12.034 3.900 0.50 0.00 H new ATOM 0 H BASN A 30 -11.286 11.528 4.675 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.713 12.479 3.072 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.668 13.020 4.369 0.50 0.00 H new ATOM 0 HB2AASN A 30 -9.040 14.258 5.382 0.50 0.00 H new ATOM 0 HB2BASN A 30 -11.084 14.094 6.485 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.924 14.570 3.662 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.471 13.996 7.162 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.574 15.227 3.399 0.50 0.00 H new ATOM 0 HD21BASN A 30 -8.147 16.069 4.308 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.388 14.159 2.642 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.886 14.420 4.884 0.50 0.00 H new ATOM 873 N AALA A 31 -8.923 10.605 5.174 0.50 0.00 N ATOM 874 N BALA A 31 -8.305 10.835 5.567 0.50 0.00 N ATOM 875 CA AALA A 31 -7.935 9.737 5.804 0.50 0.00 C ATOM 876 CA BALA A 31 -7.107 10.096 5.952 0.50 0.00 C ATOM 877 C AALA A 31 -7.279 8.818 4.779 0.50 0.00 C ATOM 878 C BALA A 31 -6.895 8.886 5.048 0.50 0.00 C ATOM 879 O AALA A 31 -7.853 8.534 3.728 0.50 0.00 O ATOM 880 O BALA A 31 -7.833 8.139 4.766 0.50 0.00 O ATOM 881 CB AALA A 31 -8.583 8.919 6.912 0.50 0.00 C ATOM 882 CB BALA A 31 -7.199 9.662 7.408 0.50 0.00 C ATOM 0 H AALA A 31 -9.843 10.181 5.054 0.50 0.00 H new ATOM 0 H BALA A 31 -8.986 10.289 5.039 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.158 10.366 6.238 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.248 10.758 5.836 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.835 8.275 7.374 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.299 9.112 7.681 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.999 9.590 7.664 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.294 10.542 8.045 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.380 8.305 6.493 0.50 0.00 H new ATOM 0 HB3BALA A 31 -8.070 9.021 7.542 0.50 0.00 H new ATOM 893 N ASER A 32 -6.073 8.358 5.092 0.50 0.00 N ATOM 894 N BSER A 32 -5.659 8.699 4.599 0.50 0.00 N ATOM 895 CA ASER A 32 -5.336 7.474 4.197 0.50 0.00 C ATOM 896 CA BSER A 32 -5.325 7.582 3.724 0.50 0.00 C ATOM 897 C ASER A 32 -4.826 6.245 4.943 0.50 0.00 C ATOM 898 C BSER A 32 -4.522 6.524 4.475 0.50 0.00 C ATOM 899 O ASER A 32 -4.269 6.356 6.035 0.50 0.00 O ATOM 900 O BSER A 32 -4.036 6.768 5.579 0.50 0.00 O ATOM 901 CB ASER A 32 -4.162 8.220 3.560 0.50 0.00 C ATOM 902 CB BSER A 32 -4.532 8.074 2.511 0.50 0.00 C ATOM 903 OG ASER A 32 -2.949 7.936 4.236 0.50 0.00 O ATOM 904 OG BSER A 32 -4.261 9.461 2.610 0.50 0.00 O ATOM 0 H ASER A 32 -5.585 8.583 5.959 0.50 0.00 H new ATOM 0 H BSER A 32 -4.872 9.307 4.827 0.50 0.00 H new ATOM 0 HA ASER A 32 -6.017 7.145 3.413 0.50 0.00 H new ATOM 0 HA BSER A 32 -6.257 7.131 3.381 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.073 7.936 2.511 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.596 7.521 2.436 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.353 9.293 3.584 0.50 0.00 H new ATOM 0 HB3BSER A 32 -5.094 7.874 1.599 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.214 8.424 3.808 0.50 0.00 H new ATOM 0 HG BSER A 32 -3.752 9.752 1.825 0.50 0.00 H new ATOM 915 N AGLN A 33 -5.021 5.074 4.345 0.50 0.00 N ATOM 916 N BGLN A 33 -4.385 5.350 3.866 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.584 3.823 4.954 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.641 4.255 4.478 0.50 0.00 C ATOM 919 C AGLN A 33 -3.907 2.926 3.923 0.50 0.00 C ATOM 920 C BGLN A 33 -3.532 3.071 3.522 0.50 0.00 C ATOM 921 O AGLN A 33 -4.111 3.079 2.720 0.50 0.00 O ATOM 922 O BGLN A 33 -4.443 2.808 2.737 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.772 3.094 5.581 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.316 3.815 5.778 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.555 2.721 7.040 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.718 3.258 5.577 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.856 2.503 7.787 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.107 2.261 6.651 0.50 0.00 C ATOM 929 OE1AGLN A 33 -7.306 3.367 8.539 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.509 1.193 6.771 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.470 1.345 7.580 0.50 0.00 N ATOM 932 NE2BGLN A 33 -7.119 2.607 7.441 0.50 0.00 N ATOM 0 H AGLN A 33 -5.478 4.965 3.440 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.779 5.133 2.951 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.861 4.060 5.735 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.636 4.612 4.702 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.657 3.725 5.504 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -3.698 3.057 6.260 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.975 2.189 5.009 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.366 4.665 6.458 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.954 1.814 7.093 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.434 4.079 5.572 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.986 3.510 7.532 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -5.778 2.777 4.601 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.061 0.657 6.948 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.588 3.503 7.307 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.351 1.143 8.053 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.427 1.976 8.181 0.50 0.00 H new ATOM 949 N APHE A 34 -3.098 1.985 4.405 0.50 0.00 N ATOM 950 N BPHE A 34 -2.411 2.361 3.594 0.50 0.00 N ATOM 951 CA APHE A 34 -2.391 1.063 3.526 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.182 1.206 2.735 0.50 0.00 C ATOM 953 C APHE A 34 -2.909 -0.362 3.701 0.50 0.00 C ATOM 954 C BPHE A 34 -3.079 0.040 3.139 0.50 0.00 C ATOM 955 O APHE A 34 -2.200 -1.328 3.428 0.50 0.00 O ATOM 956 O BPHE A 34 -3.540 -0.724 2.291 0.50 0.00 O ATOM 957 CB APHE A 34 -0.887 1.109 3.807 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.713 0.780 2.797 0.50 0.00 C ATOM 959 CG APHE A 34 -0.076 1.616 2.650 0.50 0.00 C ATOM 960 CG BPHE A 34 0.245 1.875 2.424 0.50 0.00 C ATOM 961 CD1APHE A 34 0.479 0.734 1.737 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.384 2.271 1.104 0.50 0.00 C ATOM 963 CD2APHE A 34 0.133 2.974 2.475 0.50 0.00 C ATOM 964 CD2BPHE A 34 1.008 2.508 3.393 0.50 0.00 C ATOM 965 CE1APHE A 34 1.226 1.196 0.670 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.266 3.278 0.757 0.50 0.00 C ATOM 967 CE2APHE A 34 0.879 3.442 1.411 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.889 3.515 3.053 0.50 0.00 C ATOM 969 CZ APHE A 34 1.427 2.553 0.507 0.50 0.00 C ATOM 970 CZ BPHE A 34 2.019 3.901 1.734 0.50 0.00 C ATOM 0 H APHE A 34 -2.917 1.843 5.399 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.647 2.565 4.238 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.571 1.372 2.496 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.427 1.492 1.712 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.707 1.746 4.673 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.485 0.437 3.806 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.544 0.108 4.070 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.560 -0.068 2.130 0.50 0.00 H new ATOM 0 HD1APHE A 34 0.326 -0.328 1.861 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.203 1.788 0.337 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.292 3.675 3.178 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.912 2.210 4.427 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.652 0.497 -0.035 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.366 3.577 -0.276 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.034 4.503 1.286 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.476 4.001 3.818 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.011 2.918 -0.325 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.708 4.688 1.466 0.50 0.00 H new ATOM 989 N AGLU A 35 -4.150 -0.481 4.160 0.50 0.00 N ATOM 990 N BGLU A 35 -3.321 -0.090 4.440 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.764 -1.786 4.373 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.160 -1.162 4.957 0.50 0.00 C ATOM 993 C AGLU A 35 -6.257 -1.743 4.067 0.50 0.00 C ATOM 994 C BGLU A 35 -5.627 -0.918 4.616 0.50 0.00 C ATOM 995 O AGLU A 35 -6.866 -0.672 4.040 0.50 0.00 O ATOM 996 O BGLU A 35 -6.052 0.224 4.438 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.539 -2.252 5.812 0.50 0.00 C ATOM 998 CB BGLU A 35 -3.992 -1.287 6.473 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.108 -2.076 6.293 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.869 -2.226 6.886 0.50 0.00 C ATOM 1001 CD AGLU A 35 -2.823 -0.667 6.777 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.509 -1.555 6.858 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -3.619 -0.148 7.588 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.446 -0.332 7.099 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -1.806 -0.085 6.347 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -0.508 -2.254 6.597 0.50 0.00 O ATOM 0 H AGLU A 35 -4.750 0.310 4.392 0.50 0.00 H new ATOM 0 H BGLU A 35 -2.947 0.535 5.154 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.293 -2.495 3.692 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.845 -2.093 4.486 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -5.206 -1.698 6.473 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -3.801 -0.299 6.892 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -4.813 -3.304 5.891 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.928 -1.641 6.906 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.911 -2.780 7.101 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -3.065 -2.601 7.891 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.423 -2.323 5.482 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.858 -3.089 6.220 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.843 -2.914 3.839 0.50 0.00 N ATOM 1020 N BARG A 36 -6.397 -1.998 4.527 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.266 -3.010 3.534 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.816 -1.901 4.206 0.50 0.00 C ATOM 1023 C AARG A 36 -9.092 -2.217 4.543 0.50 0.00 C ATOM 1024 C BARG A 36 -8.647 -1.701 5.471 0.50 0.00 C ATOM 1025 O AARG A 36 -9.250 -2.609 5.699 0.50 0.00 O ATOM 1026 O BARG A 36 -8.697 -2.561 6.351 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.711 -4.474 3.533 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.280 -3.160 3.470 0.50 0.00 C ATOM 1029 CG AARG A 36 -10.177 -4.664 3.181 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.548 -2.955 2.657 0.50 0.00 C ATOM 1031 CD AARG A 36 -10.460 -4.268 1.740 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.094 -4.275 2.137 0.50 0.00 C ATOM 1033 NE AARG A 36 -11.638 -4.944 1.206 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.319 -5.237 3.213 0.50 0.00 N ATOM 1035 CZ AARG A 36 -12.879 -4.690 1.610 0.50 0.00 C ATOM 1036 CZ BARG A 36 -11.398 -5.235 3.987 0.50 0.00 C ATOM 1037 NH1AARG A 36 -13.099 -3.776 2.546 0.50 0.00 N ATOM 1038 NH1BARG A 36 -12.347 -4.326 3.805 0.50 0.00 N ATOM 1039 NH2AARG A 36 -13.899 -5.349 1.077 0.50 0.00 N ATOM 1040 NH2BARG A 36 -11.531 -6.142 4.946 0.50 0.00 N ATOM 0 H AARG A 36 -6.355 -3.809 3.860 0.50 0.00 H new ATOM 0 H BARG A 36 -6.062 -2.950 4.673 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.430 -2.587 2.543 0.50 0.00 H new ATOM 0 HA BARG A 36 -7.959 -1.036 3.558 0.50 0.00 H new ATOM 0 HB2AARG A 36 -8.100 -5.030 2.822 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.484 -3.498 2.807 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.524 -4.903 4.518 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.448 -3.955 4.197 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.457 -5.706 3.335 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.302 -2.465 3.273 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.794 -4.066 3.852 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.341 -2.290 1.819 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.605 -3.189 1.683 0.50 0.00 H new ATOM 0 HD2BARG A 36 -11.031 -4.097 1.609 0.50 0.00 H new ATOM 0 HD3AARG A 36 -9.594 -4.507 1.122 0.50 0.00 H new ATOM 0 HD3BARG A 36 -9.395 -4.697 1.414 0.50 0.00 H new ATOM 0 HE AARG A 36 -11.502 -5.650 0.483 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.608 -5.949 3.379 0.50 0.00 H new ATOM 0 HH11AARG A 36 -12.316 -3.267 2.956 0.50 0.00 H new ATOM 0 HH11BARG A 36 -12.249 -3.627 3.069 0.50 0.00 H new ATOM 0 HH12AARG A 36 -14.051 -3.582 2.855 0.50 0.00 H new ATOM 0 HH12BARG A 36 -13.175 -4.327 4.401 0.50 0.00 H new ATOM 0 HH21AARG A 36 -13.732 -6.051 0.357 0.50 0.00 H new ATOM 0 HH21BARG A 36 -10.804 -6.843 5.090 0.50 0.00 H new ATOM 0 HH22AARG A 36 -14.851 -5.153 1.388 0.50 0.00 H new ATOM 0 HH22BARG A 36 -12.361 -6.139 5.540 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.634 -1.074 4.096 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.314 -0.543 5.565 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.454 -0.203 4.943 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.156 -0.204 6.716 0.50 0.00 C ATOM 1071 C APRO A 37 -11.805 -0.825 5.280 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.422 -1.051 6.778 0.50 0.00 C ATOM 1073 O APRO A 37 -12.646 -1.019 4.402 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.089 -1.264 5.765 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.641 1.052 4.084 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.507 1.266 6.478 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.489 0.576 2.681 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.400 1.448 5.004 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.487 -0.545 2.730 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.301 0.526 4.552 0.50 0.00 C ATOM 0 HA APRO A 37 -9.983 -0.011 5.907 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.646 -0.387 7.662 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.621 1.500 4.246 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.512 1.495 6.833 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.899 1.812 4.327 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.822 1.927 7.009 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.442 0.230 2.281 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.341 1.204 4.511 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.143 1.380 2.031 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.168 2.483 4.754 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.699 -1.306 1.979 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.490 0.135 3.552 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.474 -0.187 2.544 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.338 1.035 4.518 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.006 -1.134 6.556 0.50 0.00 N ATOM 1096 N BSER A 38 -11.748 -1.533 7.974 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.254 -1.738 7.009 0.50 0.00 C ATOM 1098 CA BSER A 38 -12.934 -2.360 8.167 0.50 0.00 C ATOM 1099 C ASER A 38 -14.358 -0.691 7.111 0.50 0.00 C ATOM 1100 C BSER A 38 -13.833 -1.774 9.251 0.50 0.00 C ATOM 1101 O ASER A 38 -14.152 0.478 6.787 0.50 0.00 O ATOM 1102 O BSER A 38 -14.082 -2.406 10.277 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.054 -2.420 8.362 0.50 0.00 C ATOM 1104 CB BSER A 38 -12.530 -3.788 8.541 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.185 -3.198 8.714 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.660 -4.639 8.600 0.50 0.00 O ATOM 0 H ASER A 38 -11.321 -0.976 7.295 0.50 0.00 H new ATOM 0 H BSER A 38 -11.208 -1.365 8.823 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.554 -2.486 6.275 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.490 -2.381 7.230 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.169 -3.055 8.325 0.50 0.00 H new ATOM 0 HB2BSER A 38 -11.820 -4.172 7.809 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.874 -1.667 9.129 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.023 -3.785 9.506 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.031 -3.625 9.583 0.50 0.00 H new ATOM 0 HG BSER A 38 -14.268 -4.327 9.302 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.532 -1.119 7.565 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.320 -0.559 9.014 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.652 -0.207 7.702 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.188 0.093 9.976 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.241 -0.218 9.099 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.359 -0.780 10.388 0.50 0.00 C ATOM 1123 O AGLY A 39 -18.447 -0.413 9.239 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.315 -1.438 11.428 0.50 0.00 O ATOM 0 H AGLY A 39 -15.727 -2.082 7.840 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.128 -0.015 8.173 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.326 0.804 7.457 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -14.609 0.360 10.860 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.426 -0.476 6.983 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -15.565 1.023 9.549 0.50 0.00 H new TER 1131 GLY A 39