USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN B: amide:sc= -1.75 K(o=-4,f=-14!) USER MOD Set 1.2: A 29 THR OG1B: rot 180:sc= -2.22 USER MOD Set 2.1: A 16 SER OG A: rot -47:sc= 0.979 USER MOD Set 2.2: A 16 SER OG B: rot 180:sc= 0 USER MOD Set 2.3: A 19 SER OG A: rot 180:sc= -0.27 USER MOD Set 2.4: A 19 SER OG B: rot 180:sc= -1.34 USER MOD Single : A 5 SER OG A: rot 52:sc= 1.05 USER MOD Single : A 5 SER OG B: rot -52:sc= 1.01 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 A:NH3+ 163:sc= -0.0196 (180deg=-0.17) USER MOD Single : A 13 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 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN A: amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 23 TYR OH A: rot -148:sc= 1.18 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= -0.053 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 26 ASN A: amide:sc= -1.55 K(o=-1.6,f=-12!) USER MOD Single : A 27 HIS A:FLIP no HD1:sc= -1.75 F(o=-3.1,f=-1.8) USER MOD Single : A 27 HIS B: no HE2:sc= -1.88 K(o=-1.9,f=-2.5) USER MOD Single : A 29 THR OG1A: rot 180:sc=-0.00976 USER MOD Single : A 30 ASN A: amide:sc= -2.04! C(o=-2!,f=-1.8!) USER MOD Single : A 30 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG A: rot 53:sc= 1.08 USER MOD Single : A 32 SER OG B: rot -137:sc= -0.0282 USER MOD Single : A 33 GLN A: amide:sc= 0.64 K(o=0.64,f=-0.5) USER MOD Single : A 33 GLN B: amide:sc= 1.08 K(o=1.1,f=-0.57) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.115 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.308 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.560 -6.162 -4.816 0.20 0.00 N ATOM 2 N BSER A 5 -13.943 -5.989 -4.785 0.80 0.00 N ATOM 3 CA ASER A 5 -13.061 -4.812 -4.581 0.20 0.00 C ATOM 4 CA BSER A 5 -14.333 -4.585 -4.749 0.80 0.00 C ATOM 5 C ASER A 5 -14.277 -4.835 -3.662 0.20 0.00 C ATOM 6 C BSER A 5 -15.421 -4.351 -3.704 0.80 0.00 C ATOM 7 O ASER A 5 -15.419 -4.856 -4.123 0.20 0.00 O ATOM 8 O BSER A 5 -16.326 -3.540 -3.903 0.80 0.00 O ATOM 9 CB ASER A 5 -13.421 -4.141 -5.908 0.20 0.00 C ATOM 10 CB BSER A 5 -14.831 -4.139 -6.127 0.80 0.00 C ATOM 11 OG ASER A 5 -14.474 -4.834 -6.558 0.20 0.00 O ATOM 12 OG BSER A 5 -15.201 -2.770 -6.116 0.80 0.00 O ATOM 0 HA ASER A 5 -12.272 -4.238 -4.094 0.20 0.00 H new ATOM 0 HA BSER A 5 -13.458 -3.995 -4.476 0.80 0.00 H new ATOM 0 HB2ASER A 5 -13.717 -3.107 -5.729 0.20 0.00 H new ATOM 0 HB2BSER A 5 -14.050 -4.302 -6.870 0.80 0.00 H new ATOM 0 HB3ASER A 5 -12.545 -4.114 -6.555 0.20 0.00 H new ATOM 0 HB3BSER A 5 -15.685 -4.748 -6.423 0.80 0.00 H new ATOM 0 HG ASER A 5 -15.224 -4.947 -5.937 0.20 0.00 H new ATOM 0 HG BSER A 5 -15.824 -2.605 -5.378 0.80 0.00 H new ATOM 23 N ALYS A 6 -14.026 -4.836 -2.357 0.20 0.00 N ATOM 24 N BLYS A 6 -15.321 -5.063 -2.588 0.80 0.00 N ATOM 25 CA ALYS A 6 -15.098 -4.855 -1.370 0.20 0.00 C ATOM 26 CA BLYS A 6 -16.291 -4.933 -1.508 0.80 0.00 C ATOM 27 C ALYS A 6 -14.804 -3.889 -0.226 0.20 0.00 C ATOM 28 C BLYS A 6 -15.766 -4.014 -0.411 0.80 0.00 C ATOM 29 O ALYS A 6 -14.225 -4.274 0.791 0.20 0.00 O ATOM 30 O BLYS A 6 -15.790 -4.363 0.771 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.286 -6.271 -0.819 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.621 -6.308 -0.921 0.80 0.00 C ATOM 33 CG ALYS A 6 -15.522 -7.316 -1.898 0.20 0.00 C ATOM 34 CG BLYS A 6 -15.400 -7.066 -0.426 0.80 0.00 C ATOM 35 CD ALYS A 6 -15.335 -8.723 -1.360 0.20 0.00 C ATOM 36 CD BLYS A 6 -15.791 -8.358 0.274 0.80 0.00 C ATOM 37 CE ALYS A 6 -16.610 -9.545 -1.490 0.20 0.00 C ATOM 38 CE BLYS A 6 -15.675 -9.552 -0.661 0.80 0.00 C ATOM 39 NZ ALYS A 6 -17.381 -9.578 -0.218 0.20 0.00 N ATOM 40 NZ BLYS A 6 -16.611 -10.647 -0.280 0.80 0.00 N ATOM 0 H ALYS A 6 -13.087 -4.824 -1.958 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.577 -5.737 -2.407 0.80 0.00 H new ATOM 0 HA ALYS A 6 -16.017 -4.537 -1.863 0.20 0.00 H new ATOM 0 HA BLYS A 6 -17.199 -4.494 -1.922 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.403 -6.548 -0.243 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -17.321 -6.183 -0.095 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -16.130 -6.275 -0.130 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.127 -6.906 -1.679 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -16.531 -7.208 -2.296 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -14.745 -7.291 -1.267 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -14.834 -7.147 -2.726 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -14.833 -6.437 0.260 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -14.527 -9.216 -1.900 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -15.151 -8.511 1.143 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -15.036 -8.676 -0.313 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -16.814 -8.279 0.641 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -17.232 -9.127 -2.281 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -15.883 -9.235 -1.683 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -16.357 -10.563 -1.788 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -14.652 -9.927 -0.646 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -18.241 -10.147 -0.348 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -16.502 -11.443 -0.941 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -16.797 -10.000 0.531 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -16.396 -10.967 0.686 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -17.645 -8.609 0.053 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -17.589 -10.297 -0.319 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.207 -2.636 -0.398 0.20 0.00 N ATOM 68 N BLEU A 7 -15.293 -2.837 -0.808 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.988 -1.614 0.619 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.764 -1.865 0.143 0.80 0.00 C ATOM 71 C ALEU A 7 -16.279 -0.859 0.920 0.20 0.00 C ATOM 72 C BLEU A 7 -15.892 -1.098 0.823 0.80 0.00 C ATOM 73 O ALEU A 7 -17.185 -0.777 0.091 0.20 0.00 O ATOM 74 O BLEU A 7 -16.992 -0.958 0.288 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.904 -0.634 0.163 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.822 -0.890 -0.567 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.965 -1.137 -0.932 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.337 -1.253 -0.542 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.058 -0.015 -1.414 0.20 0.00 C ATOM 80 CD1BLEU A 7 -12.127 -2.679 -1.024 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.140 -2.313 -0.430 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.536 -0.278 -1.390 0.80 0.00 C ATOM 0 H ALEU A 7 -15.688 -2.302 -1.233 0.20 0.00 H new ATOM 0 H BLEU A 7 -15.265 -2.533 -1.781 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.658 -2.111 1.532 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.208 -2.407 0.908 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.390 0.275 -0.192 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -14.137 -0.804 -1.607 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.304 -0.357 1.030 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.942 0.095 -0.115 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.569 -1.476 -1.774 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.984 -1.184 0.487 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.396 -0.392 -2.194 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -11.064 -2.919 -0.999 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.665 0.797 -1.814 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.669 -3.366 -0.375 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.462 0.355 -0.580 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.497 -2.776 -2.045 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.477 -2.658 -1.224 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.481 -0.552 -1.361 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.546 -2.000 0.429 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.892 -0.314 -2.420 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.805 -3.124 -0.135 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.660 0.732 -0.998 0.80 0.00 H new ATOM 105 N APRO A 8 -16.365 -0.292 2.132 0.20 0.00 N ATOM 106 N BPRO A 8 -15.615 -0.584 2.030 0.80 0.00 N ATOM 107 CA APRO A 8 -17.539 0.469 2.570 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.592 0.182 2.809 0.80 0.00 C ATOM 109 C APRO A 8 -17.677 1.795 1.832 0.20 0.00 C ATOM 110 C BPRO A 8 -16.888 1.544 2.190 0.80 0.00 C ATOM 111 O APRO A 8 -16.779 2.228 1.110 0.20 0.00 O ATOM 112 O BPRO A 8 -16.201 1.999 1.276 0.80 0.00 O ATOM 113 CB APRO A 8 -17.273 0.708 4.058 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.909 0.350 4.169 0.80 0.00 C ATOM 115 CG APRO A 8 -15.790 0.649 4.192 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.453 0.253 3.876 0.80 0.00 C ATOM 117 CD APRO A 8 -15.322 -0.352 3.171 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.324 -0.710 2.728 0.80 0.00 C ATOM 0 HA APRO A 8 -18.469 -0.064 2.371 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.557 -0.322 2.861 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.661 1.674 4.379 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.159 1.310 4.621 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.757 -0.051 4.673 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.224 -0.424 4.869 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.343 1.627 4.014 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -14.042 1.228 3.615 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.501 0.345 5.198 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.903 -0.102 4.747 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.342 -0.091 2.772 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.489 -0.450 2.078 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.237 -1.351 3.598 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.153 -1.729 3.075 0.80 0.00 H new ATOM 133 N APRO A 9 -18.828 2.458 2.016 0.20 0.00 N ATOM 134 N BPRO A 9 -17.935 2.211 2.696 0.80 0.00 N ATOM 135 CA APRO A 9 -19.110 3.747 1.378 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.344 3.530 2.208 0.80 0.00 C ATOM 137 C APRO A 9 -18.256 4.875 1.944 0.20 0.00 C ATOM 138 C BPRO A 9 -17.345 4.622 2.578 0.80 0.00 C ATOM 139 O APRO A 9 -18.539 5.401 3.020 0.20 0.00 O ATOM 140 O BPRO A 9 -16.851 4.668 3.705 0.80 0.00 O ATOM 141 CB APRO A 9 -20.589 3.985 1.696 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.683 3.770 2.912 0.80 0.00 C ATOM 143 CG APRO A 9 -20.839 3.207 2.942 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.615 2.939 4.147 0.80 0.00 C ATOM 145 CD APRO A 9 -19.943 2.003 2.865 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.799 1.729 3.786 0.80 0.00 C ATOM 0 HA APRO A 9 -18.886 3.730 0.311 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.407 3.559 1.120 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.797 5.045 1.843 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.821 4.824 3.151 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.229 3.645 0.882 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.521 3.474 2.281 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.615 3.804 3.826 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.153 3.492 4.965 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.886 2.911 3.014 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.612 2.652 4.480 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.597 1.697 3.852 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.214 1.372 4.634 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.457 1.147 2.428 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.430 0.901 3.462 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.208 5.243 1.212 0.20 0.00 N ATOM 162 N BGLY A 10 -17.052 5.499 1.623 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.328 6.308 1.661 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.113 6.578 1.869 0.80 0.00 C ATOM 165 C AGLY A 10 -14.892 6.094 1.222 0.20 0.00 C ATOM 166 C BGLY A 10 -14.672 6.135 1.727 0.80 0.00 C ATOM 167 O AGLY A 10 -14.172 7.054 0.947 0.20 0.00 O ATOM 168 O BGLY A 10 -13.807 6.552 2.498 0.80 0.00 O ATOM 0 H AGLY A 10 -16.953 4.824 0.318 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.448 5.482 0.683 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.686 7.261 1.271 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.310 7.393 1.172 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.367 6.374 2.748 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.272 6.972 2.873 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.475 4.835 1.162 0.20 0.00 N ATOM 176 N BTRP A 11 -14.410 5.287 0.737 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.116 4.501 0.758 0.20 0.00 C ATOM 178 CA BTRP A 11 -13.061 4.786 0.496 0.80 0.00 C ATOM 179 C ATRP A 11 -13.060 4.141 -0.723 0.20 0.00 C ATOM 180 C BTRP A 11 -12.827 4.551 -0.991 0.80 0.00 C ATOM 181 O ATRP A 11 -13.889 3.378 -1.216 0.20 0.00 O ATOM 182 O BTRP A 11 -13.731 4.137 -1.713 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.583 3.338 1.597 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.830 3.489 1.274 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.219 3.733 2.996 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.679 3.701 2.750 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.953 3.514 4.127 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.669 3.662 3.689 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.034 4.418 3.413 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.466 3.984 3.456 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.296 4.020 5.220 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.145 3.906 4.936 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.114 4.579 4.810 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.795 4.105 4.819 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.910 4.908 2.742 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.134 4.145 3.067 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.115 5.212 5.545 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.839 4.381 5.793 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.918 5.536 3.474 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.186 4.420 4.035 0.80 0.00 C ATOM 201 CH2ATRP A 11 -9.026 5.682 4.863 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.542 4.533 5.385 0.80 0.00 C ATOM 0 H ATRP A 11 -15.058 4.029 1.388 0.20 0.00 H new ATOM 0 H BTRP A 11 -15.114 4.933 0.089 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.490 5.378 0.924 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.352 5.539 0.842 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.336 2.551 1.634 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.666 2.812 1.095 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.706 2.917 1.106 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.935 2.998 0.891 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.911 3.015 4.157 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.711 3.468 3.482 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.633 3.986 6.182 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.675 3.934 5.807 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.818 4.798 1.672 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.850 4.056 2.029 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.197 5.328 6.616 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.112 4.472 6.834 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -8.046 5.920 2.966 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.154 4.550 3.745 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.234 6.175 5.406 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.778 4.744 6.118 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.079 4.699 -1.428 0.20 0.00 N ATOM 224 N BGLU A 12 -11.603 4.815 -1.442 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.919 4.437 -2.853 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.252 4.631 -2.845 0.80 0.00 C ATOM 227 C AGLU A 12 -10.548 3.834 -3.144 0.20 0.00 C ATOM 228 C BGLU A 12 -9.894 3.945 -2.978 0.80 0.00 C ATOM 229 O AGLU A 12 -9.594 4.039 -2.395 0.20 0.00 O ATOM 230 O BGLU A 12 -8.937 4.295 -2.289 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.100 5.727 -3.654 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.227 5.980 -3.568 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.829 6.548 -3.784 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.533 6.747 -3.466 0.80 0.00 C ATOM 235 CD AGLU A 12 -11.089 8.041 -3.722 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.335 8.249 -3.548 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.671 8.675 -2.730 0.20 0.00 O ATOM 238 OE1BGLU A 12 -12.660 8.833 -4.604 0.80 0.00 O ATOM 239 OE2AGLU A 12 -11.710 8.574 -4.664 0.20 0.00 O ATOM 240 OE2BGLU A 12 -11.854 8.839 -2.559 0.80 0.00 O ATOM 0 H AGLU A 12 -11.385 5.334 -1.035 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.840 5.156 -0.857 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.684 3.721 -3.153 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.009 3.995 -3.304 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.464 5.477 -4.651 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -10.424 6.590 -3.155 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.868 6.336 -3.177 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.993 5.815 -4.620 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -10.139 6.270 -2.988 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.201 6.428 -4.266 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.340 6.307 -4.728 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -13.023 6.500 -2.524 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.459 3.083 -4.238 0.20 0.00 N ATOM 254 N BLYS A 13 -9.819 2.966 -3.873 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.206 2.450 -4.631 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.581 2.229 -4.101 0.80 0.00 C ATOM 257 C ALYS A 13 -8.303 3.435 -5.362 0.20 0.00 C ATOM 258 C BLYS A 13 -7.715 2.930 -5.142 0.80 0.00 C ATOM 259 O ALYS A 13 -8.754 4.171 -6.243 0.20 0.00 O ATOM 260 O BLYS A 13 -8.097 3.047 -6.305 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.483 1.236 -5.522 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.890 0.801 -4.557 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.471 0.116 -5.356 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.666 0.037 -5.033 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.897 -1.136 -6.104 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.035 -1.346 -5.543 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.207 -2.375 -5.556 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.117 -2.355 -4.406 0.80 0.00 C ATOM 269 NZ ALYS A 13 -8.736 -2.760 -4.219 0.20 0.00 N ATOM 270 NZ BLYS A 13 -9.363 -3.167 -4.475 0.80 0.00 N ATOM 0 H ALYS A 13 -11.240 2.899 -4.867 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.602 2.664 -4.453 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.695 2.121 -3.726 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.031 2.193 -3.161 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.478 0.851 -5.298 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.350 0.257 -3.732 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.491 1.555 -6.564 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.622 0.836 -5.363 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.499 0.446 -5.721 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.171 0.598 -5.826 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.352 -0.114 -4.297 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -6.952 -0.055 -4.214 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.978 -1.256 -6.028 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.993 -1.301 -6.061 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.662 -1.026 -7.163 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.294 -1.676 -6.271 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -8.342 -3.203 -6.252 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -7.251 -3.015 -4.443 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -7.135 -2.191 -5.483 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.078 -1.831 -3.451 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -8.464 -3.741 -4.007 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -9.382 -3.842 -3.684 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -8.341 -2.127 -3.494 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -10.190 -2.539 -4.414 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -9.773 -2.681 -4.220 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -9.389 -3.687 -5.375 0.80 0.00 H new ATOM 297 N AARG A 14 -7.025 3.446 -4.996 0.20 0.00 N ATOM 298 N BARG A 14 -6.544 3.394 -4.715 0.80 0.00 N ATOM 299 CA AARG A 14 -6.059 4.343 -5.619 0.20 0.00 C ATOM 300 CA BARG A 14 -5.623 4.085 -5.610 0.80 0.00 C ATOM 301 C AARG A 14 -4.698 3.667 -5.750 0.20 0.00 C ATOM 302 C BARG A 14 -4.266 3.385 -5.639 0.80 0.00 C ATOM 303 O AARG A 14 -4.398 2.708 -5.039 0.20 0.00 O ATOM 304 O BARG A 14 -3.981 2.529 -4.801 0.80 0.00 O ATOM 305 CB AARG A 14 -5.925 5.629 -4.802 0.20 0.00 C ATOM 306 CB BARG A 14 -5.449 5.540 -5.175 0.80 0.00 C ATOM 307 CG AARG A 14 -6.818 6.757 -5.292 0.20 0.00 C ATOM 308 CG BARG A 14 -6.759 6.303 -5.061 0.80 0.00 C ATOM 309 CD AARG A 14 -6.106 8.101 -5.226 0.20 0.00 C ATOM 310 CD BARG A 14 -6.920 7.306 -6.192 0.80 0.00 C ATOM 311 NE AARG A 14 -6.327 8.896 -6.431 0.20 0.00 N ATOM 312 NE BARG A 14 -5.814 8.256 -6.241 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.823 8.584 -7.620 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.652 9.147 -7.215 0.80 0.00 C ATOM 315 NH1AARG A 14 -5.077 7.498 -7.763 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.522 9.207 -8.213 0.80 0.00 N ATOM 317 NH2AARG A 14 -6.069 9.358 -8.669 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.618 9.978 -7.190 0.80 0.00 N ATOM 0 H AARG A 14 -6.635 2.844 -4.271 0.20 0.00 H new ATOM 0 H BARG A 14 -6.211 3.304 -3.755 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.421 4.591 -6.617 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.046 4.063 -6.614 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.164 5.414 -3.760 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.940 5.564 -4.212 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.887 5.960 -4.829 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.803 6.049 -5.890 0.80 0.00 H new ATOM 0 HG2AARG A 14 -7.127 6.558 -6.318 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.593 5.601 -5.075 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.724 6.794 -4.687 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.796 6.823 -4.104 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.458 8.656 -4.356 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.984 6.775 -7.142 0.80 0.00 H new ATOM 0 HD3AARG A 14 -5.037 7.939 -5.090 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.858 7.847 -6.066 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.900 9.737 -6.356 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.127 8.236 -5.487 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.889 6.899 -6.959 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.318 8.569 -8.235 0.80 0.00 H new ATOM 0 HH12AARG A 14 -4.691 7.261 -8.677 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.396 9.891 -8.959 0.80 0.00 H new ATOM 0 HH21AARG A 14 -6.645 10.193 -8.563 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.947 9.934 -6.423 0.80 0.00 H new ATOM 0 HH22AARG A 14 -5.682 9.118 -9.582 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.494 10.661 -7.937 0.80 0.00 H new ATOM 345 N AMET A 15 -3.877 4.174 -6.665 0.20 0.00 N ATOM 346 N BMET A 15 -3.436 3.755 -6.607 0.80 0.00 N ATOM 347 CA AMET A 15 -2.547 3.619 -6.888 0.20 0.00 C ATOM 348 CA BMET A 15 -2.110 3.165 -6.744 0.80 0.00 C ATOM 349 C AMET A 15 -1.470 4.672 -6.637 0.20 0.00 C ATOM 350 C BMET A 15 -1.055 4.244 -6.973 0.80 0.00 C ATOM 351 O AMET A 15 -1.760 5.768 -6.159 0.20 0.00 O ATOM 352 O BMET A 15 -1.225 5.122 -7.819 0.80 0.00 O ATOM 353 CB AMET A 15 -2.429 3.083 -8.316 0.20 0.00 C ATOM 354 CB BMET A 15 -2.092 2.165 -7.899 0.80 0.00 C ATOM 355 CG AMET A 15 -1.659 1.775 -8.411 0.20 0.00 C ATOM 356 CG BMET A 15 -0.696 1.682 -8.264 0.80 0.00 C ATOM 357 SD AMET A 15 -0.294 1.857 -9.587 0.20 0.00 S ATOM 358 SD BMET A 15 -0.689 -0.003 -8.908 0.80 0.00 S ATOM 359 CE AMET A 15 -0.410 0.240 -10.350 0.20 0.00 C ATOM 360 CE BMET A 15 0.277 0.210 -10.401 0.80 0.00 C ATOM 0 H AMET A 15 -4.109 4.967 -7.263 0.20 0.00 H new ATOM 0 H BMET A 15 -3.658 4.461 -7.309 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.399 2.799 -6.186 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.874 2.643 -5.817 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.429 2.937 -8.725 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.707 1.305 -7.634 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.937 3.831 -8.937 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.549 2.626 -8.775 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.270 1.514 -7.427 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.267 2.353 -9.008 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.340 0.977 -8.706 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.056 1.733 -7.383 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.371 0.136 -11.103 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.371 -0.748 -10.913 0.80 0.00 H new ATOM 0 HE2AMET A 15 -0.285 -0.531 -9.590 0.20 0.00 H new ATOM 0 HE2BMET A 15 -0.220 0.925 -11.057 0.80 0.00 H new ATOM 0 HE3AMET A 15 -1.386 0.130 -10.822 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.268 0.582 -10.143 0.80 0.00 H new ATOM 379 N ASER A 16 -0.228 4.330 -6.964 0.20 0.00 N ATOM 380 N BSER A 16 0.033 4.171 -6.211 0.80 0.00 N ATOM 381 CA ASER A 16 0.893 5.243 -6.770 0.20 0.00 C ATOM 382 CA BSER A 16 1.113 5.143 -6.330 0.80 0.00 C ATOM 383 C ASER A 16 1.636 5.477 -8.081 0.20 0.00 C ATOM 384 C BSER A 16 1.657 5.184 -7.755 0.80 0.00 C ATOM 385 O ASER A 16 1.518 4.693 -9.023 0.20 0.00 O ATOM 386 O BSER A 16 1.173 4.473 -8.634 0.80 0.00 O ATOM 387 CB ASER A 16 1.855 4.688 -5.717 0.20 0.00 C ATOM 388 CB BSER A 16 2.240 4.807 -5.350 0.80 0.00 C ATOM 389 OG ASER A 16 2.833 3.854 -6.311 0.20 0.00 O ATOM 390 OG BSER A 16 2.431 5.852 -4.413 0.80 0.00 O ATOM 0 H ASER A 16 0.028 3.427 -7.365 0.20 0.00 H new ATOM 0 H BSER A 16 0.189 3.450 -5.506 0.80 0.00 H new ATOM 0 HA ASER A 16 0.496 6.197 -6.422 0.20 0.00 H new ATOM 0 HA BSER A 16 0.710 6.126 -6.087 0.80 0.00 H new ATOM 0 HB2ASER A 16 2.343 5.511 -5.195 0.20 0.00 H new ATOM 0 HB2BSER A 16 2.005 3.882 -4.824 0.80 0.00 H new ATOM 0 HB3ASER A 16 1.296 4.124 -4.970 0.20 0.00 H new ATOM 0 HB3BSER A 16 3.165 4.635 -5.900 0.80 0.00 H new ATOM 0 HG ASER A 16 2.398 3.227 -6.927 0.20 0.00 H new ATOM 0 HG BSER A 16 3.155 5.612 -3.798 0.80 0.00 H new ATOM 401 N AARG A 17 2.401 6.563 -8.134 0.20 0.00 N ATOM 402 N BARG A 17 2.664 6.022 -7.973 0.80 0.00 N ATOM 403 CA AARG A 17 3.162 6.903 -9.331 0.20 0.00 C ATOM 404 CA BARG A 17 3.273 6.156 -9.290 0.80 0.00 C ATOM 405 C AARG A 17 4.644 7.063 -9.004 0.20 0.00 C ATOM 406 C BARG A 17 4.788 5.998 -9.208 0.80 0.00 C ATOM 407 O AARG A 17 5.317 7.938 -9.546 0.20 0.00 O ATOM 408 O BARG A 17 5.412 5.429 -10.104 0.80 0.00 O ATOM 409 CB AARG A 17 2.625 8.192 -9.955 0.20 0.00 C ATOM 410 CB BARG A 17 2.924 7.516 -9.901 0.80 0.00 C ATOM 411 CG AARG A 17 3.046 8.389 -11.402 0.20 0.00 C ATOM 412 CG BARG A 17 3.685 7.822 -11.181 0.80 0.00 C ATOM 413 CD AARG A 17 2.625 9.755 -11.922 0.20 0.00 C ATOM 414 CD BARG A 17 3.296 9.178 -11.748 0.80 0.00 C ATOM 415 NE AARG A 17 1.233 10.060 -11.600 0.20 0.00 N ATOM 416 NE BARG A 17 1.848 9.364 -11.776 0.80 0.00 N ATOM 417 CZ AARG A 17 0.723 11.285 -11.632 0.20 0.00 C ATOM 418 CZ BARG A 17 1.262 10.551 -11.881 0.80 0.00 C ATOM 419 NH1AARG A 17 1.485 12.315 -11.970 0.20 0.00 N ATOM 420 NH1BARG A 17 1.997 11.652 -11.970 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.554 11.481 -11.324 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.062 10.641 -11.899 0.80 0.00 N ATOM 0 H AARG A 17 2.510 7.222 -7.363 0.20 0.00 H new ATOM 0 H BARG A 17 3.075 6.618 -7.255 0.80 0.00 H new ATOM 0 HA AARG A 17 3.050 6.088 -10.046 0.20 0.00 H new ATOM 0 HA BARG A 17 2.877 5.366 -9.927 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.536 8.186 -9.900 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.854 7.548 -10.108 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.970 9.042 -9.366 0.20 0.00 H new ATOM 0 HB3BARG A 17 3.131 8.297 -9.170 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.128 8.284 -11.485 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.757 7.803 -10.982 0.80 0.00 H new ATOM 0 HG3AARG A 17 2.602 7.610 -12.021 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.484 7.046 -11.920 0.80 0.00 H new ATOM 0 HD2AARG A 17 3.272 10.521 -11.494 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.751 9.966 -11.148 0.80 0.00 H new ATOM 0 HD3AARG A 17 2.763 9.789 -13.003 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.694 9.276 -12.758 0.80 0.00 H new ATOM 0 HE AARG A 17 0.619 9.289 -11.336 0.20 0.00 H new ATOM 0 HE BARG A 17 1.254 8.537 -11.711 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.466 12.168 -12.206 0.20 0.00 H new ATOM 0 HH11BARG A 17 3.015 11.588 -11.958 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.090 13.255 -11.994 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.544 12.562 -12.051 0.80 0.00 H new ATOM 0 HH21AARG A 17 -1.143 10.690 -11.063 0.20 0.00 H new ATOM 0 HH21BARG A 17 -0.631 9.797 -11.832 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.946 12.422 -11.349 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.510 11.554 -11.980 0.80 0.00 H new ATOM 449 N AASN A 18 5.144 6.212 -8.112 0.20 0.00 N ATOM 450 N BASN A 18 5.373 6.507 -8.130 0.80 0.00 N ATOM 451 CA AASN A 18 6.546 6.261 -7.713 0.20 0.00 C ATOM 452 CA BASN A 18 6.815 6.421 -7.931 0.80 0.00 C ATOM 453 C AASN A 18 7.091 4.857 -7.469 0.20 0.00 C ATOM 454 C BASN A 18 7.175 5.223 -7.060 0.80 0.00 C ATOM 455 O AASN A 18 8.100 4.461 -8.051 0.20 0.00 O ATOM 456 O BASN A 18 8.215 5.212 -6.398 0.80 0.00 O ATOM 457 CB AASN A 18 6.708 7.110 -6.449 0.20 0.00 C ATOM 458 CB BASN A 18 7.339 7.708 -7.289 0.80 0.00 C ATOM 459 CG AASN A 18 7.826 8.126 -6.577 0.20 0.00 C ATOM 460 CG BASN A 18 8.728 8.074 -7.776 0.80 0.00 C ATOM 461 OD1AASN A 18 8.817 8.070 -5.849 0.20 0.00 O ATOM 462 OD1BASN A 18 9.693 8.046 -7.011 0.80 0.00 O ATOM 463 ND2AASN A 18 7.672 9.062 -7.507 0.20 0.00 N ATOM 464 ND2BASN A 18 8.836 8.419 -9.053 0.80 0.00 N ATOM 0 H AASN A 18 4.600 5.482 -7.653 0.20 0.00 H new ATOM 0 H BASN A 18 4.871 6.983 -7.381 0.80 0.00 H new ATOM 0 HA AASN A 18 7.114 6.716 -8.524 0.20 0.00 H new ATOM 0 HA BASN A 18 7.284 6.291 -8.907 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.772 7.628 -6.239 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.653 8.526 -7.509 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.909 6.458 -5.599 0.20 0.00 H new ATOM 0 HB3BASN A 18 7.357 7.589 -6.206 0.80 0.00 H new ATOM 0 HD21AASN A 18 8.392 9.772 -7.640 0.20 0.00 H new ATOM 0 HD21BASN A 18 9.746 8.675 -9.437 0.80 0.00 H new ATOM 0 HD22AASN A 18 6.834 9.070 -8.088 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.009 8.428 -9.650 0.80 0.00 H new ATOM 477 N ASER A 19 6.413 4.106 -6.604 0.20 0.00 N ATOM 478 N BSER A 19 6.310 4.214 -7.063 0.80 0.00 N ATOM 479 CA ASER A 19 6.830 2.748 -6.281 0.20 0.00 C ATOM 480 CA BSER A 19 6.535 3.010 -6.270 0.80 0.00 C ATOM 481 C ASER A 19 5.979 1.725 -7.027 0.20 0.00 C ATOM 482 C BSER A 19 5.743 1.835 -6.832 0.80 0.00 C ATOM 483 O ASER A 19 6.497 0.774 -7.608 0.20 0.00 O ATOM 484 O BSER A 19 6.311 0.814 -7.217 0.80 0.00 O ATOM 485 CB ASER A 19 6.731 2.507 -4.775 0.20 0.00 C ATOM 486 CB BSER A 19 6.142 3.254 -4.812 0.80 0.00 C ATOM 487 OG ASER A 19 5.395 2.242 -4.385 0.20 0.00 O ATOM 488 OG BSER A 19 4.767 3.582 -4.701 0.80 0.00 O ATOM 0 H ASER A 19 5.573 4.417 -6.116 0.20 0.00 H new ATOM 0 H BSER A 19 5.446 4.206 -7.606 0.80 0.00 H new ATOM 0 HA ASER A 19 7.867 2.629 -6.594 0.20 0.00 H new ATOM 0 HA BSER A 19 7.596 2.766 -6.317 0.80 0.00 H new ATOM 0 HB2ASER A 19 7.367 1.667 -4.496 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.355 2.363 -4.221 0.80 0.00 H new ATOM 0 HB3ASER A 19 7.103 3.380 -4.239 0.20 0.00 H new ATOM 0 HB3BSER A 19 6.746 4.062 -4.400 0.80 0.00 H new ATOM 0 HG ASER A 19 5.361 2.090 -3.417 0.20 0.00 H new ATOM 0 HG BSER A 19 4.541 3.732 -3.759 0.80 0.00 H new ATOM 499 N AGLY A 20 4.664 1.931 -7.006 0.20 0.00 N ATOM 500 N BGLY A 20 4.422 1.986 -6.876 0.80 0.00 N ATOM 501 CA AGLY A 20 3.761 1.020 -7.685 0.20 0.00 C ATOM 502 CA BGLY A 20 3.570 0.930 -7.392 0.80 0.00 C ATOM 503 C AGLY A 20 2.716 0.439 -6.751 0.20 0.00 C ATOM 504 C BGLY A 20 2.853 0.174 -6.290 0.80 0.00 C ATOM 505 O AGLY A 20 1.604 0.123 -7.174 0.20 0.00 O ATOM 506 O BGLY A 20 2.500 -0.995 -6.458 0.80 0.00 O ATOM 0 H AGLY A 20 4.210 2.711 -6.532 0.20 0.00 H new ATOM 0 H BGLY A 20 3.927 2.821 -6.563 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.264 1.546 -8.500 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.834 1.360 -8.072 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.336 0.209 -8.132 0.20 0.00 H new ATOM 0 HA3BGLY A 20 4.173 0.233 -7.974 0.80 0.00 H new ATOM 513 N AARG A 21 3.075 0.297 -5.479 0.20 0.00 N ATOM 514 N BARG A 21 2.638 0.839 -5.161 0.80 0.00 N ATOM 515 CA AARG A 21 2.161 -0.253 -4.485 0.20 0.00 C ATOM 516 CA BARG A 21 1.961 0.221 -4.028 0.80 0.00 C ATOM 517 C AARG A 21 0.837 0.504 -4.487 0.20 0.00 C ATOM 518 C BARG A 21 0.514 0.697 -3.933 0.80 0.00 C ATOM 519 O AARG A 21 0.677 1.496 -5.199 0.20 0.00 O ATOM 520 O BARG A 21 0.244 1.899 -3.931 0.80 0.00 O ATOM 521 CB AARG A 21 2.792 -0.193 -3.093 0.20 0.00 C ATOM 522 CB BARG A 21 2.700 0.544 -2.727 0.80 0.00 C ATOM 523 CG AARG A 21 4.211 -0.740 -3.044 0.20 0.00 C ATOM 524 CG BARG A 21 3.558 -0.602 -2.215 0.80 0.00 C ATOM 525 CD AARG A 21 4.713 -0.857 -1.613 0.20 0.00 C ATOM 526 CD BARG A 21 4.523 -0.137 -1.136 0.80 0.00 C ATOM 527 NE AARG A 21 4.406 0.335 -0.825 0.20 0.00 N ATOM 528 NE BARG A 21 3.836 0.555 -0.048 0.80 0.00 N ATOM 529 CZ AARG A 21 4.387 0.355 0.501 0.20 0.00 C ATOM 530 CZ BARG A 21 4.351 0.704 1.167 0.80 0.00 C ATOM 531 NH1AARG A 21 4.655 -0.747 1.189 0.20 0.00 N ATOM 532 NH1BARG A 21 5.550 0.215 1.448 0.80 0.00 N ATOM 533 NH2AARG A 21 4.099 1.479 1.145 0.20 0.00 N ATOM 534 NH2BARG A 21 3.664 1.346 2.106 0.80 0.00 N ATOM 0 H AARG A 21 3.991 0.555 -5.113 0.20 0.00 H new ATOM 0 H BARG A 21 2.923 1.806 -5.006 0.80 0.00 H new ATOM 0 HA AARG A 21 1.966 -1.294 -4.744 0.20 0.00 H new ATOM 0 HA BARG A 21 1.962 -0.858 -4.182 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.798 0.842 -2.750 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.332 1.418 -2.885 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.170 -0.756 -2.397 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.971 0.812 -1.962 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.242 -1.719 -3.523 0.20 0.00 H new ATOM 0 HG2BARG A 21 2.917 -1.388 -1.817 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.874 -0.087 -3.611 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.118 -1.036 -3.043 0.80 0.00 H new ATOM 0 HD2AARG A 21 4.262 -1.730 -1.141 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.061 -0.996 -0.736 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.791 -1.020 -1.619 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.266 0.528 -1.576 0.80 0.00 H new ATOM 0 HE AARG A 21 4.195 1.200 -1.323 0.20 0.00 H new ATOM 0 HE BARG A 21 2.911 0.945 -0.231 0.80 0.00 H new ATOM 0 HH11AARG A 21 4.877 -1.613 0.698 0.20 0.00 H new ATOM 0 HH11BARG A 21 6.081 -0.278 0.730 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.640 -0.728 2.209 0.20 0.00 H new ATOM 0 HH12BARG A 21 5.942 0.332 2.382 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.892 2.329 0.620 0.20 0.00 H new ATOM 0 HH21BARG A 21 2.741 1.724 1.894 0.80 0.00 H new ATOM 0 HH22AARG A 21 4.085 1.493 2.165 0.20 0.00 H new ATOM 0 HH22BARG A 21 4.060 1.460 3.039 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.111 0.029 -3.685 0.20 0.00 N ATOM 562 N BVAL A 22 -0.412 -0.253 -3.856 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.422 0.662 -3.593 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.830 0.069 -3.762 0.80 0.00 C ATOM 565 C AVAL A 22 -1.767 1.006 -2.149 0.20 0.00 C ATOM 566 C BVAL A 22 -2.198 0.524 -2.354 0.80 0.00 C ATOM 567 O AVAL A 22 -1.116 0.535 -1.215 0.20 0.00 O ATOM 568 O BVAL A 22 -1.685 -0.002 -1.365 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.526 -0.247 -4.170 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.707 -1.140 -4.142 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.473 -0.250 -5.689 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.179 -0.818 -3.939 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.392 -1.660 -3.621 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.439 -1.559 -5.581 0.80 0.00 C ATOM 0 H AVAL A 22 0.004 -0.791 -3.090 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.205 -1.252 -3.857 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.372 1.579 -4.180 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.017 0.881 -4.465 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.495 0.147 -3.864 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.449 -1.974 -3.489 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.259 -0.897 -6.079 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.782 -1.684 -4.213 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.620 0.764 -6.060 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.356 -0.569 -2.893 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.502 -0.620 -6.018 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.456 0.030 -4.566 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.179 -2.289 -4.038 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.066 -2.414 -5.834 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.419 -2.066 -3.896 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.669 -0.730 -6.250 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.482 -1.638 -2.535 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.390 -1.834 -5.691 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.794 1.830 -1.973 0.20 0.00 N ATOM 594 N BTYR A 23 -3.089 1.505 -2.269 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.225 2.239 -0.640 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.525 2.033 -0.982 0.80 0.00 C ATOM 597 C ATYR A 23 -4.719 2.542 -0.620 0.20 0.00 C ATOM 598 C BTYR A 23 -4.974 2.507 -1.049 0.80 0.00 C ATOM 599 O ATYR A 23 -5.414 2.364 -1.621 0.20 0.00 O ATOM 600 O BTYR A 23 -5.609 2.451 -2.102 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.436 3.467 -0.182 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.619 3.186 -0.547 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.295 4.529 -1.251 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.705 4.397 -1.448 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.202 5.579 -1.338 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.689 5.360 -1.259 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.258 4.482 -2.172 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.806 4.578 -2.492 0.80 0.00 C ATOM 609 CE1ATYR A 23 -3.078 6.551 -2.311 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.773 6.468 -2.080 0.80 0.00 C ATOM 611 CE2ATYR A 23 -1.124 5.450 -3.148 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.880 5.682 -3.317 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.038 6.481 -3.214 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.866 6.625 -3.107 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.910 7.447 -4.186 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.944 7.726 -3.928 0.80 0.00 O ATOM 0 H ATYR A 23 -3.343 2.228 -2.735 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.524 1.951 -3.077 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.032 1.415 0.047 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.459 1.230 -0.248 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -2.929 3.902 0.688 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.882 3.480 0.469 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.443 3.152 0.139 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.587 2.836 -0.520 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -4.018 5.635 -0.632 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.401 5.240 -0.456 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.543 3.674 -2.125 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.035 3.841 -2.661 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.791 7.361 -2.364 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.544 7.207 -1.919 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.309 5.400 -3.855 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.171 5.807 -4.122 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.519 7.050 -4.992 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.231 7.685 -4.599 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.207 3.003 0.525 0.20 0.00 N ATOM 636 N BTYR A 24 -5.489 2.974 0.083 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.619 3.330 0.678 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.864 3.457 0.154 0.80 0.00 C ATOM 639 C ATYR A 24 -6.806 4.815 0.977 0.20 0.00 C ATOM 640 C BTYR A 24 -6.911 4.893 0.665 0.80 0.00 C ATOM 641 O ATYR A 24 -6.125 5.379 1.833 0.20 0.00 O ATOM 642 O BTYR A 24 -6.216 5.249 1.617 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.241 2.493 1.798 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.697 2.552 1.064 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.251 1.010 1.507 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.476 1.077 0.819 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.359 0.402 0.929 0.20 0.00 C ATOM 648 CD1BTYR A 24 -8.064 0.436 -0.265 0.80 0.00 C ATOM 649 CD2ATYR A 24 -6.154 0.213 1.813 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.678 0.323 1.670 0.80 0.00 C ATOM 651 CE1ATYR A 24 -8.374 -0.953 0.664 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.865 -0.912 -0.493 0.80 0.00 C ATOM 653 CE2ATYR A 24 -6.159 -1.143 1.552 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.472 -1.026 1.449 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.271 -1.721 0.976 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.068 -1.637 0.367 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.281 -3.072 0.713 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.865 -2.981 0.144 0.80 0.00 O ATOM 0 H ATYR A 24 -4.645 3.159 1.362 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.976 3.029 0.963 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.121 3.100 -0.262 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.283 3.435 -0.852 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -6.691 2.670 2.722 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.459 2.778 2.103 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.264 2.829 1.967 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.753 2.781 0.921 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -9.224 1.000 0.683 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.688 1.002 -0.941 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -5.281 0.663 2.263 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.210 0.799 2.519 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -9.244 -1.409 0.215 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -8.331 -1.395 -1.339 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -5.298 -1.747 1.797 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -5.848 -1.597 2.120 0.80 0.00 H new ATOM 0 HH ATYR A 24 -6.428 -3.466 0.992 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.278 -3.343 0.840 0.80 0.00 H new ATOM 677 N APHE A 25 -7.735 5.443 0.264 0.20 0.00 N ATOM 678 N BPHE A 25 -7.736 5.716 0.026 0.80 0.00 N ATOM 679 CA APHE A 25 -8.012 6.863 0.450 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.874 7.115 0.415 0.80 0.00 C ATOM 681 C APHE A 25 -9.514 7.115 0.545 0.20 0.00 C ATOM 682 C BPHE A 25 -9.328 7.448 0.734 0.80 0.00 C ATOM 683 O APHE A 25 -10.273 6.753 -0.353 0.20 0.00 O ATOM 684 O BPHE A 25 -10.249 6.948 0.087 0.80 0.00 O ATOM 685 CB APHE A 25 -7.419 7.675 -0.703 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.362 8.028 -0.700 0.80 0.00 C ATOM 687 CG APHE A 25 -7.408 9.157 -0.449 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.741 9.471 -0.515 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.589 9.882 -0.463 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.613 10.089 -1.394 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.219 9.822 -0.199 0.20 0.00 C ATOM 692 CD2BPHE A 25 -7.222 10.205 0.540 0.80 0.00 C ATOM 693 CE1APHE A 25 -8.582 11.246 -0.230 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.964 11.416 -1.225 0.80 0.00 C ATOM 695 CE2APHE A 25 -6.208 11.184 0.036 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.568 11.532 0.712 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.391 11.897 0.019 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.439 12.138 -0.172 0.80 0.00 C ATOM 0 H APHE A 25 -8.309 4.991 -0.448 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.319 5.438 -0.763 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.548 7.180 1.384 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.277 7.279 1.312 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.399 7.338 -0.887 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.276 7.950 -0.753 0.80 0.00 H new ATOM 0 HB3APHE A 25 -7.990 7.474 -1.610 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.754 7.677 -1.655 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.524 9.378 -0.658 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -9.024 9.529 -2.221 0.80 0.00 H new ATOM 0 HD2APHE A 25 -5.291 9.270 -0.188 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -6.541 9.736 1.234 0.80 0.00 H new ATOM 0 HE1APHE A 25 -9.508 11.801 -0.243 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.648 11.887 -1.916 0.80 0.00 H new ATOM 0 HE2APHE A 25 -5.275 11.691 0.233 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -7.157 12.095 1.537 0.80 0.00 H new ATOM 0 HZ APHE A 25 -7.384 12.962 0.200 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.709 13.175 -0.040 0.80 0.00 H new ATOM 717 N AASN A 26 -9.935 7.741 1.639 0.20 0.00 N ATOM 718 N BASN A 26 -9.527 8.297 1.736 0.80 0.00 N ATOM 719 CA AASN A 26 -11.345 8.042 1.853 0.20 0.00 C ATOM 720 CA BASN A 26 -10.869 8.697 2.144 0.80 0.00 C ATOM 721 C AASN A 26 -11.695 9.424 1.309 0.20 0.00 C ATOM 722 C BASN A 26 -11.135 10.157 1.784 0.80 0.00 C ATOM 723 O AASN A 26 -10.979 10.396 1.549 0.20 0.00 O ATOM 724 O BASN A 26 -10.395 11.053 2.189 0.80 0.00 O ATOM 725 CB AASN A 26 -11.684 7.966 3.342 0.20 0.00 C ATOM 726 CB BASN A 26 -11.051 8.492 3.649 0.80 0.00 C ATOM 727 CG AASN A 26 -13.177 7.868 3.592 0.20 0.00 C ATOM 728 CG BASN A 26 -12.512 8.473 4.057 0.80 0.00 C ATOM 729 OD1AASN A 26 -13.965 8.615 3.014 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.349 9.128 3.438 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.571 6.942 4.459 0.20 0.00 N ATOM 732 ND2BASN A 26 -12.822 7.720 5.106 0.80 0.00 N ATOM 0 H AASN A 26 -9.319 8.050 2.391 0.20 0.00 H new ATOM 0 H BASN A 26 -8.776 8.722 2.281 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.935 7.300 1.315 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.584 8.072 1.610 0.80 0.00 H new ATOM 0 HB2AASN A 26 -11.188 7.101 3.781 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.582 7.554 3.945 0.80 0.00 H new ATOM 0 HB3AASN A 26 -11.291 8.849 3.847 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.537 9.289 4.186 0.80 0.00 H new ATOM 0 HD21AASN A 26 -14.563 6.829 4.669 0.20 0.00 H new ATOM 0 HD21BASN A 26 -13.788 7.668 5.429 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.882 6.344 4.915 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.094 7.194 5.589 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.802 9.503 0.577 0.20 0.00 N ATOM 746 N BHIS A 27 -12.196 10.388 1.016 0.80 0.00 N ATOM 747 CA AHIS A 27 -13.248 10.767 0.001 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.560 11.737 0.600 0.80 0.00 C ATOM 749 C AHIS A 27 -14.197 11.491 0.950 0.20 0.00 C ATOM 750 C BHIS A 27 -13.307 12.465 1.714 0.80 0.00 C ATOM 751 O AHIS A 27 -15.100 12.208 0.514 0.20 0.00 O ATOM 752 O BHIS A 27 -13.379 13.693 1.726 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.938 10.523 -1.341 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.421 11.691 -0.662 0.80 0.00 C ATOM 755 CG AHIS A 27 -15.301 9.916 -1.213 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.606 10.784 -0.545 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.866 9.217 -0.202 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.811 11.184 -0.004 0.80 0.00 N ATOM 759 CD2AHIS A 27 -16.256 9.994 -2.205 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.769 9.490 -0.905 0.80 0.00 C ATOM 761 CE1AHIS A 27 -17.142 8.889 -0.597 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.662 10.174 -0.035 0.80 0.00 C ATOM 763 NE2AHIS A 27 -17.351 9.371 -1.808 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -16.055 9.135 -0.578 0.80 0.00 N ATOM 0 H AHIS A 27 -13.406 8.708 0.369 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.818 9.658 0.670 0.80 0.00 H new ATOM 0 HA AHIS A 27 -12.372 11.396 -0.158 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.642 12.284 0.383 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -14.020 11.470 -1.875 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.766 12.699 -0.893 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -13.313 9.867 -1.947 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.805 11.365 -1.500 0.80 0.00 H new ATOM 0 HD1BHIS A 27 -16.013 12.114 0.363 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -16.128 10.487 -3.157 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -14.026 8.854 -1.364 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.856 8.329 -0.012 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.681 10.195 0.323 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -18.212 9.278 -2.346 0.20 0.00 H new ATOM 779 N AILE A 28 -13.989 11.300 2.248 0.20 0.00 N ATOM 780 N BILE A 28 -13.864 11.697 2.646 0.80 0.00 N ATOM 781 CA AILE A 28 -14.826 11.937 3.258 0.20 0.00 C ATOM 782 CA BILE A 28 -14.606 12.269 3.763 0.80 0.00 C ATOM 783 C AILE A 28 -13.993 12.794 4.203 0.20 0.00 C ATOM 784 C BILE A 28 -13.664 12.734 4.868 0.80 0.00 C ATOM 785 O AILE A 28 -14.410 13.880 4.606 0.20 0.00 O ATOM 786 O BILE A 28 -13.795 13.843 5.389 0.80 0.00 O ATOM 787 CB AILE A 28 -15.605 10.894 4.082 0.20 0.00 C ATOM 788 CB BILE A 28 -15.609 11.258 4.349 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.659 10.206 3.212 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.614 10.826 3.280 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.254 11.551 5.291 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.328 11.861 5.547 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.845 11.090 2.890 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.673 9.876 3.794 0.80 0.00 C ATOM 0 H AILE A 28 -13.248 10.709 2.626 0.20 0.00 H new ATOM 0 H BILE A 28 -13.815 10.678 2.649 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.534 12.572 2.726 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.154 13.126 3.372 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.905 10.137 4.436 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.062 10.377 4.683 0.80 0.00 H new ATOM 0 HG12AILE A 28 -16.195 9.881 2.281 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.100 11.712 2.871 0.80 0.00 H new ATOM 0 HG13AILE A 28 -17.012 9.310 3.722 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.077 10.349 2.460 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.801 10.801 5.863 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.034 11.135 5.951 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.484 11.997 5.920 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.600 12.124 6.314 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.944 12.326 4.957 0.20 0.00 H new ATOM 0 HG23BILE A 28 -16.866 12.756 5.236 0.80 0.00 H new ATOM 0 HD11AILE A 28 -18.552 10.539 2.271 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.350 9.612 2.982 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.334 11.395 3.815 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.197 8.973 4.177 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.504 11.974 2.352 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.236 10.357 4.594 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.809 12.300 4.552 0.20 0.00 N ATOM 818 N BTHR A 29 -12.710 11.879 5.224 0.80 0.00 N ATOM 819 CA ATHR A 29 -11.913 13.023 5.448 0.20 0.00 C ATOM 820 CA BTHR A 29 -11.745 12.200 6.266 0.80 0.00 C ATOM 821 C ATHR A 29 -10.517 13.145 4.851 0.20 0.00 C ATOM 822 C BTHR A 29 -10.485 12.826 5.678 0.80 0.00 C ATOM 823 O ATHR A 29 -9.528 13.249 5.575 0.20 0.00 O ATOM 824 O BTHR A 29 -9.669 13.399 6.399 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.812 12.328 6.820 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.352 10.949 7.073 0.80 0.00 C ATOM 827 OG1ATHR A 29 -11.003 11.152 6.716 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.415 9.787 6.239 0.80 0.00 O ATOM 829 CG2ATHR A 29 -13.192 11.953 7.340 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.270 10.767 8.274 0.80 0.00 C ATOM 0 H ATHR A 29 -12.448 11.403 4.228 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.586 10.958 4.804 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.336 14.019 5.581 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.227 12.917 6.931 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.352 13.025 7.521 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.332 11.083 7.432 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -10.943 10.718 7.592 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.162 8.996 6.760 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -13.095 11.464 8.309 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -11.972 9.877 8.828 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -13.798 12.853 7.447 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.197 11.640 8.923 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.673 11.273 6.637 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.299 10.654 7.932 0.80 0.00 H new ATOM 845 N AASN A 30 -10.443 13.132 3.523 0.20 0.00 N ATOM 846 N BASN A 30 -10.335 12.716 4.362 0.80 0.00 N ATOM 847 CA AASN A 30 -9.166 13.243 2.827 0.20 0.00 C ATOM 848 CA BASN A 30 -9.175 13.271 3.676 0.80 0.00 C ATOM 849 C AASN A 30 -8.079 12.463 3.560 0.20 0.00 C ATOM 850 C BASN A 30 -7.883 12.656 4.204 0.80 0.00 C ATOM 851 O AASN A 30 -6.971 12.961 3.759 0.20 0.00 O ATOM 852 O BASN A 30 -6.956 13.368 4.584 0.80 0.00 O ATOM 853 CB AASN A 30 -8.757 14.711 2.699 0.20 0.00 C ATOM 854 CB BASN A 30 -9.136 14.792 3.846 0.80 0.00 C ATOM 855 CG AASN A 30 -9.157 15.532 3.912 0.20 0.00 C ATOM 856 CG BASN A 30 -10.024 15.509 2.847 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.248 16.100 3.959 0.20 0.00 O ATOM 858 OD1BASN A 30 -11.183 15.808 3.132 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.271 15.596 4.899 0.20 0.00 N ATOM 860 ND2BASN A 30 -9.481 15.787 1.667 0.80 0.00 N ATOM 0 H AASN A 30 -11.252 13.046 2.908 0.20 0.00 H new ATOM 0 H BASN A 30 -11.003 12.247 3.750 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.285 12.818 1.830 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.263 13.032 2.616 0.80 0.00 H new ATOM 0 HB2AASN A 30 -7.678 14.774 2.561 0.20 0.00 H new ATOM 0 HB2BASN A 30 -9.450 15.050 4.857 0.80 0.00 H new ATOM 0 HB3AASN A 30 -9.217 15.137 1.808 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.110 15.141 3.732 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.483 16.133 5.740 0.20 0.00 H new ATOM 0 HD21BASN A 30 -10.029 16.267 0.954 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.379 15.109 4.816 0.20 0.00 H new ATOM 0 HD22BASN A 30 -8.516 15.520 1.474 0.80 0.00 H new ATOM 873 N AALA A 31 -8.403 11.237 3.957 0.20 0.00 N ATOM 874 N BALA A 31 -7.832 11.328 4.225 0.80 0.00 N ATOM 875 CA AALA A 31 -7.454 10.387 4.665 0.20 0.00 C ATOM 876 CA BALA A 31 -6.654 10.616 4.705 0.80 0.00 C ATOM 877 C AALA A 31 -6.706 9.476 3.698 0.20 0.00 C ATOM 878 C BALA A 31 -6.497 9.274 3.996 0.80 0.00 C ATOM 879 O AALA A 31 -7.066 9.372 2.524 0.20 0.00 O ATOM 880 O BALA A 31 -7.472 8.698 3.517 0.80 0.00 O ATOM 881 CB AALA A 31 -8.172 9.561 5.723 0.20 0.00 C ATOM 882 CB BALA A 31 -6.737 10.413 6.210 0.80 0.00 C ATOM 0 H AALA A 31 -9.316 10.810 3.800 0.20 0.00 H new ATOM 0 H BALA A 31 -8.593 10.724 3.915 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.724 11.030 5.156 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.776 11.222 4.479 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.451 8.931 6.244 0.20 0.00 H new ATOM 0 HB1BALA A 31 -5.851 9.880 6.555 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.655 10.227 6.438 0.20 0.00 H new ATOM 0 HB2BALA A 31 -6.793 11.382 6.705 0.80 0.00 H new ATOM 0 HB3AALA A 31 -8.924 8.933 5.246 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.627 9.831 6.450 0.80 0.00 H new ATOM 893 N ASER A 32 -5.664 8.818 4.196 0.20 0.00 N ATOM 894 N BSER A 32 -5.263 8.786 3.932 0.80 0.00 N ATOM 895 CA ASER A 32 -4.863 7.918 3.375 0.20 0.00 C ATOM 896 CA BSER A 32 -4.976 7.515 3.277 0.80 0.00 C ATOM 897 C ASER A 32 -4.272 6.794 4.218 0.20 0.00 C ATOM 898 C BSER A 32 -4.252 6.566 4.226 0.80 0.00 C ATOM 899 O ASER A 32 -3.119 6.864 4.644 0.20 0.00 O ATOM 900 O BSER A 32 -3.490 6.999 5.090 0.80 0.00 O ATOM 901 CB ASER A 32 -3.743 8.692 2.678 0.20 0.00 C ATOM 902 CB BSER A 32 -4.133 7.743 2.020 0.80 0.00 C ATOM 903 OG ASER A 32 -2.837 9.237 3.622 0.20 0.00 O ATOM 904 OG BSER A 32 -4.805 7.276 0.864 0.80 0.00 O ATOM 0 H ASER A 32 -5.355 8.892 5.165 0.20 0.00 H new ATOM 0 H BSER A 32 -4.445 9.251 4.326 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.515 7.477 2.621 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.924 7.060 2.991 0.80 0.00 H new ATOM 0 HB2ASER A 32 -3.209 8.030 1.996 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.914 8.805 1.913 0.80 0.00 H new ATOM 0 HB3ASER A 32 -4.171 9.493 2.075 0.20 0.00 H new ATOM 0 HB3BSER A 32 -3.177 7.229 2.121 0.80 0.00 H new ATOM 0 HG ASER A 32 -2.525 8.528 4.223 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.173 6.795 0.290 0.80 0.00 H new ATOM 915 N AGLN A 33 -5.069 5.757 4.455 0.20 0.00 N ATOM 916 N BGLN A 33 -4.493 5.270 4.057 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.627 4.618 5.249 0.20 0.00 C ATOM 918 CA BGLN A 33 -3.864 4.260 4.899 0.80 0.00 C ATOM 919 C AGLN A 33 -3.916 3.589 4.375 0.20 0.00 C ATOM 920 C BGLN A 33 -3.684 2.951 4.136 0.80 0.00 C ATOM 921 O AGLN A 33 -4.124 3.542 3.163 0.20 0.00 O ATOM 922 O BGLN A 33 -4.575 2.520 3.401 0.80 0.00 O ATOM 923 CB AGLN A 33 -5.817 3.969 5.957 0.20 0.00 C ATOM 924 CB BGLN A 33 -4.702 4.020 6.155 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.416 2.900 6.962 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.966 3.216 5.900 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.533 2.563 7.931 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.762 2.963 7.165 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.650 3.170 8.997 0.20 0.00 O ATOM 930 OE1BGLN A 33 -7.364 3.879 7.727 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.360 1.591 7.567 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.770 1.716 7.622 0.80 0.00 N ATOM 0 H AGLN A 33 -6.025 5.683 4.108 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.119 4.895 3.345 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.923 4.981 5.998 0.20 0.00 H new ATOM 0 HA BGLN A 33 -2.880 4.628 5.191 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -6.390 4.742 6.470 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -4.093 3.499 6.894 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -6.476 3.526 5.211 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -4.975 4.982 6.589 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -5.119 1.998 6.428 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -6.591 3.747 5.182 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -4.545 3.241 7.522 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -5.700 2.262 5.446 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -7.226 1.115 6.675 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.257 0.987 7.125 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.130 1.320 8.179 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.289 1.487 8.470 0.80 0.00 H new ATOM 949 N APHE A 34 -3.079 2.768 4.999 0.20 0.00 N ATOM 950 N BPHE A 34 -2.526 2.325 4.313 0.80 0.00 N ATOM 951 CA APHE A 34 -2.336 1.741 4.278 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.227 1.065 3.641 0.80 0.00 C ATOM 953 C APHE A 34 -3.052 0.396 4.356 0.20 0.00 C ATOM 954 C BPHE A 34 -3.012 -0.085 4.267 0.80 0.00 C ATOM 955 O APHE A 34 -3.046 -0.377 3.400 0.20 0.00 O ATOM 956 O BPHE A 34 -3.388 -1.037 3.583 0.80 0.00 O ATOM 957 CB APHE A 34 -0.920 1.612 4.843 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.728 0.769 3.708 0.80 0.00 C ATOM 959 CG APHE A 34 0.129 2.259 3.987 0.20 0.00 C ATOM 960 CG BPHE A 34 0.129 1.918 3.261 0.80 0.00 C ATOM 961 CD1APHE A 34 0.981 3.215 4.516 0.20 0.00 C ATOM 962 CD1BPHE A 34 1.001 2.534 4.145 0.80 0.00 C ATOM 963 CD2APHE A 34 0.264 1.911 2.653 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.064 2.383 1.958 0.80 0.00 C ATOM 965 CE1APHE A 34 1.950 3.813 3.732 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.791 3.592 3.738 0.80 0.00 C ATOM 967 CE2APHE A 34 1.231 2.505 1.863 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.853 3.439 1.543 0.80 0.00 C ATOM 969 CZ APHE A 34 2.073 3.458 2.402 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.717 4.047 2.436 0.80 0.00 C ATOM 0 H APHE A 34 -2.898 2.793 6.002 0.20 0.00 H new ATOM 0 H BPHE A 34 -1.779 2.669 4.916 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.275 2.040 3.232 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.525 1.160 2.597 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.892 2.058 5.837 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.463 0.505 4.732 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.680 0.555 4.961 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.509 -0.100 3.088 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.887 3.497 5.554 0.20 0.00 H new ATOM 0 HD1BPHE A 34 1.064 2.183 5.164 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.393 1.168 2.225 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.612 1.915 1.258 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.609 4.555 4.158 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.466 4.063 4.437 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.328 2.224 0.825 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.795 3.789 0.523 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.826 3.925 1.785 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.332 4.875 2.116 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.668 0.126 5.504 0.20 0.00 N ATOM 990 N BGLU A 35 -3.255 0.012 5.570 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.387 -1.126 5.707 0.20 0.00 C ATOM 992 CA BGLU A 35 -3.993 -1.022 6.288 0.80 0.00 C ATOM 993 C AGLU A 35 -5.850 -0.985 5.297 0.20 0.00 C ATOM 994 C BGLU A 35 -5.447 -1.066 5.832 0.80 0.00 C ATOM 995 O AGLU A 35 -6.455 0.074 5.465 0.20 0.00 O ATOM 996 O BGLU A 35 -6.085 -0.028 5.647 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.295 -1.558 7.172 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.927 -0.770 7.795 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.744 -0.489 8.154 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.689 -1.352 8.456 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.649 -0.095 9.127 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.416 -0.747 9.820 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -3.558 1.105 9.463 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.262 0.036 10.301 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -2.887 -0.987 9.553 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.357 -1.054 10.405 0.80 0.00 O ATOM 0 H AGLU A 35 -3.683 0.757 6.306 0.20 0.00 H new ATOM 0 H BGLU A 35 -2.952 0.795 6.150 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.925 -1.889 5.080 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.532 -1.984 6.067 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -4.904 -2.451 7.317 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -3.954 0.304 7.977 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -3.265 -1.835 7.396 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.814 -1.195 8.265 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.069 0.393 7.602 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.810 -2.430 8.559 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -5.607 -0.852 8.712 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -1.826 -1.188 7.811 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.414 -2.060 4.757 0.20 0.00 N ATOM 1020 N BARG A 36 -5.968 -2.276 5.650 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.804 -2.057 4.322 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.347 -2.458 5.213 0.80 0.00 C ATOM 1023 C AARG A 36 -8.723 -1.562 5.434 0.20 0.00 C ATOM 1024 C BARG A 36 -8.322 -1.937 6.263 0.80 0.00 C ATOM 1025 O AARG A 36 -8.586 -1.937 6.599 0.20 0.00 O ATOM 1026 O BARG A 36 -8.438 -2.480 7.362 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.227 -3.461 3.885 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.624 -3.935 4.929 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.670 -3.544 3.413 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.018 -4.200 4.385 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.250 -4.933 3.632 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.455 -5.632 4.645 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.601 -5.584 2.373 0.20 0.00 N ATOM 1034 NE BARG A 36 -9.802 -6.331 3.410 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.128 -6.801 2.296 0.20 0.00 C ATOM 1036 CZ BARG A 36 -10.567 -7.418 3.371 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.362 -7.495 3.401 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.060 -7.926 4.491 0.80 0.00 N ATOM 1039 NH2AARG A 36 -11.421 -7.326 1.112 0.20 0.00 N ATOM 1040 NH2BARG A 36 -10.838 -7.998 2.209 0.80 0.00 N ATOM 0 H AARG A 36 -5.928 -2.945 4.610 0.20 0.00 H new ATOM 0 H BARG A 36 -5.455 -3.145 5.799 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.890 -1.377 3.474 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.490 -1.887 4.295 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.571 -3.795 3.081 0.20 0.00 H new ATOM 0 HB2BARG A 36 -6.888 -4.303 4.214 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.086 -4.149 4.718 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.488 -4.505 5.848 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.272 -2.809 3.948 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.727 -3.513 4.847 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.723 -3.289 2.354 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.035 -4.002 3.313 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.527 -5.547 4.169 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.654 -6.169 5.153 0.80 0.00 H new ATOM 0 HD3AARG A 36 -11.136 -4.861 4.262 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.314 -5.633 5.316 0.80 0.00 H new ATOM 0 HE AARG A 36 -10.432 -5.076 1.505 0.20 0.00 H new ATOM 0 HE BARG A 36 -9.438 -5.966 2.530 0.80 0.00 H new ATOM 0 HH11AARG A 36 -11.137 -7.095 4.312 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.853 -7.483 5.386 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.767 -8.429 3.340 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.647 -8.760 4.458 0.80 0.00 H new ATOM 0 HH21AARG A 36 -11.241 -6.795 0.260 0.20 0.00 H new ATOM 0 HH21BARG A 36 -10.459 -7.610 1.345 0.80 0.00 H new ATOM 0 HH22AARG A 36 -11.826 -8.261 1.055 0.20 0.00 H new ATOM 0 HH22BARG A 36 -11.425 -8.832 2.180 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.681 -0.697 5.071 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.044 -0.859 5.920 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.640 -0.132 6.024 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.022 -0.242 6.820 0.80 0.00 C ATOM 1071 C APRO A 37 -11.635 -1.169 6.532 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.253 -1.120 7.027 0.80 0.00 C ATOM 1073 O APRO A 37 -12.029 -2.075 5.799 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.491 -2.060 6.270 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.361 0.943 5.207 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.405 1.050 6.095 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.229 0.494 3.792 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.140 0.770 4.656 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.902 -0.205 3.700 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.959 -0.161 4.626 0.80 0.00 C ATOM 0 HA APRO A 37 -10.147 0.250 6.918 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.614 -0.083 7.818 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.408 1.028 5.500 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.452 1.303 6.263 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.908 1.923 5.355 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.813 1.893 6.450 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.043 -0.177 3.518 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.009 0.314 4.181 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.271 1.342 3.108 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.926 1.690 4.112 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.927 -1.022 2.979 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.017 -0.857 3.789 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.111 0.475 3.384 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.020 0.383 4.524 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.035 -1.032 7.792 0.20 0.00 N ATOM 1096 N BSER A 38 -12.029 -0.806 8.060 0.80 0.00 N ATOM 1097 CA ASER A 38 -12.981 -1.962 8.400 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.234 -1.568 8.369 0.80 0.00 C ATOM 1099 C ASER A 38 -14.391 -1.730 7.863 0.20 0.00 C ATOM 1100 C BSER A 38 -14.391 -0.638 8.716 0.80 0.00 C ATOM 1101 O ASER A 38 -14.980 -2.609 7.236 0.20 0.00 O ATOM 1102 O BSER A 38 -14.205 0.565 8.889 0.80 0.00 O ATOM 1103 CB ASER A 38 -12.971 -1.810 9.922 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.970 -2.528 9.532 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.258 -0.475 10.303 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.124 -3.294 9.833 0.80 0.00 O ATOM 0 H ASER A 38 -11.719 -0.286 8.412 0.20 0.00 H new ATOM 0 H BSER A 38 -11.845 -0.030 8.696 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.674 -2.976 8.142 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.507 -2.144 7.485 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.706 -2.483 10.363 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.144 -3.193 9.279 0.80 0.00 H new ATOM 0 HB3ASER A 38 -11.996 -2.102 10.313 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.665 -1.962 10.413 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.247 -0.404 11.280 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.929 -3.900 10.578 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.924 -0.541 8.117 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.589 -1.205 8.815 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.260 -0.213 7.653 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.761 -0.414 9.138 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.327 -0.546 8.677 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.006 -1.263 9.311 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.950 -1.607 8.610 0.20 0.00 O ATOM 1124 O BGLY A 39 -17.891 -2.486 9.383 0.80 0.00 O ATOM 0 H AGLY A 39 -14.456 0.202 8.636 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.769 -2.200 8.677 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.308 0.850 7.415 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.576 0.145 10.055 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.464 -0.756 6.730 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.931 0.317 8.348 0.80 0.00 H new TER 1131 GLY A 39