USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 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= 0.505 K(o=0.15,f=-9.8!) USER MOD Set 1.2: A 29 THR OG1A: rot 180:sc= -0.105 USER MOD Set 1.3: A 29 THR OG1B: rot -22:sc= -0.252 USER MOD Set 2.1: A 13 LYS NZ B:NH3+ -148:sc= 0.166 (180deg=0.00234) USER MOD Set 2.2: A 15 MET CE A:methyl 148:sc= -0.228 (180deg=0) USER MOD Set 2.3: A 15 MET CE B:methyl 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 78:sc= 1.62 USER MOD Single : A 18 ASN A: amide:sc= -0.0223 X(o=-0.022,f=-0.18) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot -110:sc= 0.684 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 26 ASN B: amide:sc= -2.55 K(o=-2.5,f=-13!) USER MOD Single : A 27 HIS A: no HD1:sc= -1.27 K(o=-1.3,f=-2.1!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.00812 K(o=0.0081,f=-1.6!) USER MOD Single : A 30 ASN A: amide:sc= -0.287 X(o=-0.29,f=-0.11) USER MOD Single : A 30 ASN B: amide:sc= -0.368 X(o=-0.37,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 USER MOD Single : A 33 GLN A: amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 33 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= 0 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -13.515 -4.649 -4.426 0.50 0.00 N ATOM 24 N BLYS A 6 -12.680 -3.203 -4.534 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.493 -5.052 -3.024 0.50 0.00 C ATOM 26 CA BLYS A 6 -12.858 -4.016 -3.336 0.50 0.00 C ATOM 27 C ALYS A 6 -12.925 -3.938 -2.149 0.50 0.00 C ATOM 28 C BLYS A 6 -12.840 -3.147 -2.083 0.50 0.00 C ATOM 29 O ALYS A 6 -11.715 -3.858 -1.935 0.50 0.00 O ATOM 30 O BLYS A 6 -12.333 -3.560 -1.038 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.661 -6.323 -2.851 0.50 0.00 C ATOM 32 CB BLYS A 6 -11.760 -5.079 -3.251 0.50 0.00 C ATOM 33 CG ALYS A 6 -11.292 -6.250 -3.504 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.638 -5.930 -4.502 0.50 0.00 C ATOM 35 CD ALYS A 6 -10.198 -6.724 -2.562 0.50 0.00 C ATOM 36 CD BLYS A 6 -10.356 -6.745 -4.500 0.50 0.00 C ATOM 37 CE ALYS A 6 -9.911 -8.207 -2.740 0.50 0.00 C ATOM 38 CE BLYS A 6 -10.548 -8.086 -3.808 0.50 0.00 C ATOM 39 NZ ALYS A 6 -8.831 -8.675 -1.828 0.50 0.00 N ATOM 40 NZ BLYS A 6 -10.411 -9.224 -4.757 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.518 -5.251 -2.712 0.50 0.00 H new ATOM 0 HA BLYS A 6 -13.828 -4.509 -3.400 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -12.536 -6.523 -1.787 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -10.805 -4.588 -3.061 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.210 -7.166 -3.271 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -11.960 -5.728 -2.398 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -11.286 -6.861 -4.407 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -12.495 -6.599 -4.573 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -11.089 -5.224 -3.812 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -11.661 -5.289 -5.383 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -9.288 -6.152 -2.743 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -10.026 -6.908 -5.526 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -10.496 -6.531 -1.531 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -9.568 -6.184 -3.997 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -10.820 -8.778 -2.550 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -9.815 -8.190 -3.008 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -9.623 -8.400 -3.773 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -11.534 -8.117 -3.343 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -8.665 -9.690 -1.979 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -10.549 -10.120 -4.247 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -7.957 -8.148 -2.026 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -11.127 -9.139 -5.507 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -9.116 -8.514 -0.841 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -9.462 -9.210 -5.182 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.807 -3.082 -1.646 0.50 0.00 N ATOM 68 N BLEU A 7 -13.395 -1.946 -2.193 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.395 -1.972 -0.791 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.444 -1.020 -1.065 0.50 0.00 C ATOM 71 C ALEU A 7 -14.605 -1.298 -0.152 0.50 0.00 C ATOM 72 C BLEU A 7 -14.886 -0.677 -0.704 0.50 0.00 C ATOM 73 O ALEU A 7 -15.718 -1.342 -0.675 0.50 0.00 O ATOM 74 O BLEU A 7 -15.803 -0.812 -1.515 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.593 -0.950 -1.600 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.671 0.258 -1.397 0.50 0.00 C ATOM 77 CG ALEU A 7 -13.339 -0.271 -2.748 0.50 0.00 C ATOM 78 CG BLEU A 7 -11.169 0.224 -1.121 0.50 0.00 C ATOM 79 CD1ALEU A 7 -14.000 1.014 -2.270 0.50 0.00 C ATOM 80 CD1BLEU A 7 -10.538 -1.012 -1.743 0.50 0.00 C ATOM 81 CD2ALEU A 7 -12.392 0.016 -3.905 0.50 0.00 C ATOM 82 CD2BLEU A 7 -10.499 1.485 -1.646 0.50 0.00 C ATOM 0 H ALEU A 7 -14.812 -3.134 -1.815 0.50 0.00 H new ATOM 0 H BLEU A 7 -13.817 -1.590 -3.050 0.50 0.00 H new ATOM 0 HA ALEU A 7 -12.765 -2.372 0.004 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.980 -1.506 -0.206 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.234 -0.178 -0.919 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.821 0.486 -2.452 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -11.714 -1.449 -2.009 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -13.106 1.080 -0.828 0.50 0.00 H new ATOM 0 HG ALEU A 7 -14.117 -0.949 -3.099 0.50 0.00 H new ATOM 0 HG BLEU A 7 -11.021 0.180 -0.042 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -14.526 1.483 -3.101 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -9.468 -1.018 -1.535 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -14.709 0.784 -1.475 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -10.995 -1.906 -1.319 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -13.239 1.696 -1.891 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -10.698 -0.999 -2.821 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -12.941 0.499 -4.713 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -9.430 1.442 -1.440 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -11.592 0.674 -3.566 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -10.658 1.561 -2.722 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.964 -0.919 -4.266 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -10.928 2.357 -1.153 0.50 0.00 H new ATOM 105 N APRO A 8 -14.383 -0.654 1.002 0.50 0.00 N ATOM 106 N BPRO A 8 -15.093 -0.219 0.540 0.50 0.00 N ATOM 107 CA APRO A 8 -15.442 0.047 1.735 0.50 0.00 C ATOM 108 CA BPRO A 8 -16.420 0.156 1.035 0.50 0.00 C ATOM 109 C APRO A 8 -15.914 1.303 1.013 0.50 0.00 C ATOM 110 C BPRO A 8 -16.947 1.426 0.375 0.50 0.00 C ATOM 111 O APRO A 8 -15.218 1.857 0.161 0.50 0.00 O ATOM 112 O BPRO A 8 -16.248 2.095 -0.383 0.50 0.00 O ATOM 113 CB APRO A 8 -14.772 0.411 3.063 0.50 0.00 C ATOM 114 CB BPRO A 8 -16.188 0.386 2.530 0.50 0.00 C ATOM 115 CG APRO A 8 -13.318 0.473 2.748 0.50 0.00 C ATOM 116 CG BPRO A 8 -14.745 0.742 2.639 0.50 0.00 C ATOM 117 CD APRO A 8 -13.080 -0.559 1.683 0.50 0.00 C ATOM 118 CD BPRO A 8 -14.045 -0.033 1.557 0.50 0.00 C ATOM 0 HA APRO A 8 -16.336 -0.567 1.847 0.50 0.00 H new ATOM 0 HA BPRO A 8 -17.167 -0.607 0.818 0.50 0.00 H new ATOM 0 HB2APRO A 8 -15.136 1.366 3.442 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -16.823 1.186 2.911 0.50 0.00 H new ATOM 0 HB3APRO A 8 -14.980 -0.336 3.829 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -16.420 -0.508 3.109 0.50 0.00 H new ATOM 0 HG2APRO A 8 -13.037 1.466 2.398 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -14.597 1.814 2.510 0.50 0.00 H new ATOM 0 HG3APRO A 8 -12.718 0.265 3.634 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -14.352 0.482 3.622 0.50 0.00 H new ATOM 0 HD2APRO A 8 -12.290 -0.254 0.997 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -13.191 0.515 1.159 0.50 0.00 H new ATOM 0 HD3APRO A 8 -12.779 -1.516 2.110 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.668 -0.987 1.925 0.50 0.00 H new ATOM 133 N APRO A 9 -17.125 1.767 1.359 0.50 0.00 N ATOM 134 N BPRO A 9 -18.212 1.764 0.669 0.50 0.00 N ATOM 135 CA APRO A 9 -17.714 2.964 0.755 0.50 0.00 C ATOM 136 CA BPRO A 9 -18.861 2.956 0.114 0.50 0.00 C ATOM 137 C APRO A 9 -16.996 4.242 1.179 0.50 0.00 C ATOM 138 C BPRO A 9 -18.280 4.247 0.681 0.50 0.00 C ATOM 139 O APRO A 9 -16.542 4.361 2.316 0.50 0.00 O ATOM 140 O BPRO A 9 -18.507 4.586 1.841 0.50 0.00 O ATOM 141 CB APRO A 9 -19.150 2.958 1.287 0.50 0.00 C ATOM 142 CB BPRO A 9 -20.322 2.796 0.542 0.50 0.00 C ATOM 143 CG APRO A 9 -19.079 2.194 2.563 0.50 0.00 C ATOM 144 CG BPRO A 9 -20.268 1.942 1.761 0.50 0.00 C ATOM 145 CD APRO A 9 -18.008 1.157 2.367 0.50 0.00 C ATOM 146 CD BPRO A 9 -19.105 1.010 1.564 0.50 0.00 C ATOM 0 HA APRO A 9 -17.646 2.947 -0.333 0.50 0.00 H new ATOM 0 HA BPRO A 9 -18.724 3.030 -0.965 0.50 0.00 H new ATOM 0 HB2APRO A 9 -19.515 3.972 1.453 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -20.780 3.762 0.755 0.50 0.00 H new ATOM 0 HB3APRO A 9 -19.832 2.485 0.580 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -20.916 2.328 -0.243 0.50 0.00 H new ATOM 0 HG2APRO A 9 -18.837 2.851 3.398 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -20.134 2.549 2.657 0.50 0.00 H new ATOM 0 HG3APRO A 9 -20.037 1.727 2.792 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -21.196 1.385 1.889 0.50 0.00 H new ATOM 0 HD2APRO A 9 -17.475 0.949 3.295 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -18.618 0.770 2.509 0.50 0.00 H new ATOM 0 HD3APRO A 9 -18.423 0.211 2.019 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -19.418 0.066 1.118 0.50 0.00 H new ATOM 161 N AGLY A 10 -16.898 5.194 0.256 0.50 0.00 N ATOM 162 N BGLY A 10 -17.528 4.966 -0.148 0.50 0.00 N ATOM 163 CA AGLY A 10 -16.234 6.449 0.554 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.927 6.213 0.287 0.50 0.00 C ATOM 165 C AGLY A 10 -14.746 6.400 0.272 0.50 0.00 C ATOM 166 C BGLY A 10 -15.432 6.255 0.034 0.50 0.00 C ATOM 167 O AGLY A 10 -14.103 7.436 0.111 0.50 0.00 O ATOM 168 O BGLY A 10 -14.875 7.315 -0.250 0.50 0.00 O ATOM 0 H AGLY A 10 -17.266 5.118 -0.692 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.325 4.706 -1.113 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -16.686 7.245 -0.037 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -17.404 7.044 -0.233 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -16.394 6.701 1.602 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -17.116 6.352 1.351 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.197 5.191 0.212 0.50 0.00 N ATOM 176 N BTRP A 11 -14.783 5.102 0.137 0.50 0.00 N ATOM 177 CA ATRP A 11 -12.773 5.011 -0.051 0.50 0.00 C ATOM 178 CA BTRP A 11 -13.345 5.011 -0.078 0.50 0.00 C ATOM 179 C ATRP A 11 -12.522 4.758 -1.534 0.50 0.00 C ATOM 180 C BTRP A 11 -13.029 4.827 -1.559 0.50 0.00 C ATOM 181 O ATRP A 11 -13.382 4.228 -2.237 0.50 0.00 O ATOM 182 O BTRP A 11 -13.853 4.323 -2.321 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.224 3.848 0.777 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.758 3.852 0.728 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.341 4.065 2.256 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.603 4.163 2.187 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.443 3.847 3.032 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.579 4.124 3.140 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.316 4.544 3.134 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.401 4.560 2.855 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.167 4.162 4.340 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.057 4.475 4.361 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.870 4.590 4.430 0.50 0.00 C ATOM 194 CE2BTRP A 11 -11.723 4.746 4.213 0.50 0.00 C ATOM 195 CE3ATRP A 11 -9.988 4.935 2.954 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.085 4.776 2.439 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -11.136 5.015 5.536 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -10.775 5.138 5.156 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.263 5.356 4.053 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.146 5.163 3.376 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.838 5.392 5.330 0.50 0.00 C ATOM 202 CH2BTRP A 11 -9.493 5.341 4.721 0.50 0.00 C ATOM 0 H ATRP A 11 -14.715 4.322 0.342 0.50 0.00 H new ATOM 0 H BTRP A 11 -15.231 4.215 0.369 0.50 0.00 H new ATOM 0 HA ATRP A 11 -12.257 5.927 0.235 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.893 5.943 0.260 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -12.757 2.936 0.507 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -13.400 2.979 0.616 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -11.176 3.692 0.522 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.785 3.587 0.315 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.392 3.481 2.670 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.610 3.857 2.961 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.822 4.089 5.118 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -13.579 4.526 5.236 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -9.535 4.909 1.974 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.807 4.643 1.404 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -11.577 5.045 6.521 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -11.042 5.277 6.193 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.235 5.663 3.925 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.125 5.331 3.065 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -9.244 5.724 6.169 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -8.735 5.644 5.428 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.339 5.140 -2.002 0.50 0.00 N ATOM 224 N BGLU A 12 -11.830 5.239 -1.959 0.50 0.00 N ATOM 225 CA AGLU A 12 -10.975 4.955 -3.402 0.50 0.00 C ATOM 226 CA BGLU A 12 -11.407 5.118 -3.350 0.50 0.00 C ATOM 227 C AGLU A 12 -9.560 4.400 -3.529 0.50 0.00 C ATOM 228 C BGLU A 12 -10.099 4.339 -3.456 0.50 0.00 C ATOM 229 O AGLU A 12 -8.594 5.023 -3.086 0.50 0.00 O ATOM 230 O BGLU A 12 -9.206 4.486 -2.620 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.085 6.279 -4.161 0.50 0.00 C ATOM 232 CB BGLU A 12 -11.240 6.505 -3.977 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.310 6.109 -5.655 0.50 0.00 C ATOM 234 CG BGLU A 12 -12.487 7.368 -3.885 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.337 7.433 -6.394 0.50 0.00 C ATOM 236 CD BGLU A 12 -13.021 7.769 -5.247 0.50 0.00 C ATOM 237 OE1AGLU A 12 -10.648 7.546 -7.429 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.561 8.800 -5.784 0.50 0.00 O ATOM 239 OE2AGLU A 12 -12.045 8.354 -5.937 0.50 0.00 O ATOM 240 OE2BGLU A 12 -13.895 7.053 -5.777 0.50 0.00 O ATOM 0 H AGLU A 12 -10.616 5.580 -1.433 0.50 0.00 H new ATOM 0 H BGLU A 12 -11.135 5.659 -1.341 0.50 0.00 H new ATOM 0 HA AGLU A 12 -11.669 4.236 -3.838 0.50 0.00 H new ATOM 0 HA BGLU A 12 -12.179 4.572 -3.892 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -11.906 6.861 -3.743 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -10.415 7.020 -3.485 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.173 6.855 -4.003 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.964 6.390 -5.025 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.520 5.482 -6.069 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -13.260 6.826 -3.341 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.252 5.586 -5.820 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -12.262 8.265 -3.309 0.50 0.00 H new ATOM 253 N ALYS A 13 -9.443 3.225 -4.135 0.50 0.00 N ATOM 254 N BLYS A 13 -9.992 3.512 -4.490 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.147 2.583 -4.322 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.794 2.708 -4.706 0.50 0.00 C ATOM 257 C ALYS A 13 -7.388 3.220 -5.481 0.50 0.00 C ATOM 258 C BLYS A 13 -7.875 3.370 -5.728 0.50 0.00 C ATOM 259 O ALYS A 13 -7.884 3.273 -6.607 0.50 0.00 O ATOM 260 O BLYS A 13 -8.130 3.322 -6.932 0.50 0.00 O ATOM 261 CB ALYS A 13 -8.327 1.086 -4.578 0.50 0.00 C ATOM 262 CB BLYS A 13 -9.175 1.305 -5.183 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.018 0.339 -4.772 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.985 0.462 -5.607 0.50 0.00 C ATOM 265 CD ALYS A 13 -6.594 0.330 -6.232 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.836 0.432 -7.119 0.50 0.00 C ATOM 267 CE ALYS A 13 -6.255 -1.076 -6.704 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.174 -0.853 -7.589 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.299 -1.624 -7.613 0.50 0.00 N ATOM 270 NZ BLYS A 13 -6.272 -0.622 -8.752 0.50 0.00 N ATOM 0 H ALYS A 13 -10.232 2.696 -4.506 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.720 3.381 -5.192 0.50 0.00 H new ATOM 0 HA ALYS A 13 -7.567 2.721 -3.410 0.50 0.00 H new ATOM 0 HA BLYS A 13 -8.262 2.631 -3.758 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -8.866 0.645 -3.740 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.707 0.791 -4.383 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -8.948 0.950 -5.463 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.866 1.391 -6.022 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -6.239 0.805 -4.168 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -7.076 0.862 -5.158 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.126 -0.686 -4.417 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -8.105 -0.554 -5.232 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -7.395 0.738 -6.848 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.817 0.528 -7.584 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -5.728 0.978 -6.365 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -7.244 1.287 -7.444 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -5.295 -1.064 -7.220 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.604 -1.288 -6.768 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.145 -1.732 -5.841 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.941 -1.577 -7.863 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -7.030 -2.583 -7.912 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -6.271 -1.464 -9.363 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.210 -1.660 -7.113 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -6.608 0.199 -9.294 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -7.387 -1.012 -8.450 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -5.306 -0.440 -8.412 0.50 0.00 H new ATOM 297 N AARG A 14 -6.180 3.698 -5.200 0.50 0.00 N ATOM 298 N BARG A 14 -6.804 3.988 -5.241 0.50 0.00 N ATOM 299 CA AARG A 14 -5.352 4.329 -6.220 0.50 0.00 C ATOM 300 CA BARG A 14 -5.845 4.658 -6.112 0.50 0.00 C ATOM 301 C AARG A 14 -3.996 3.639 -6.324 0.50 0.00 C ATOM 302 C BARG A 14 -4.489 3.963 -6.063 0.50 0.00 C ATOM 303 O AARG A 14 -3.516 3.045 -5.361 0.50 0.00 O ATOM 304 O BARG A 14 -4.222 3.160 -5.170 0.50 0.00 O ATOM 305 CB AARG A 14 -5.157 5.813 -5.902 0.50 0.00 C ATOM 306 CB BARG A 14 -5.694 6.125 -5.703 0.50 0.00 C ATOM 307 CG AARG A 14 -6.416 6.499 -5.395 0.50 0.00 C ATOM 308 CG BARG A 14 -7.019 6.849 -5.529 0.50 0.00 C ATOM 309 CD AARG A 14 -6.671 7.808 -6.125 0.50 0.00 C ATOM 310 CD BARG A 14 -7.162 7.996 -6.516 0.50 0.00 C ATOM 311 NE AARG A 14 -7.913 8.443 -5.694 0.50 0.00 N ATOM 312 NE BARG A 14 -7.612 7.534 -7.827 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.561 9.353 -6.413 0.50 0.00 C ATOM 314 CZ BARG A 14 -8.885 7.309 -8.128 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.088 9.732 -7.590 0.50 0.00 N ATOM 316 NH1BARG A 14 -9.830 7.500 -7.218 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.688 9.884 -5.953 0.50 0.00 N ATOM 318 NH2BARG A 14 -9.217 6.891 -9.344 0.50 0.00 N ATOM 0 H AARG A 14 -5.753 3.660 -4.274 0.50 0.00 H new ATOM 0 H BARG A 14 -6.578 4.039 -4.248 0.50 0.00 H new ATOM 0 HA AARG A 14 -5.864 4.233 -7.178 0.50 0.00 H new ATOM 0 HA BARG A 14 -6.222 4.609 -7.134 0.50 0.00 H new ATOM 0 HB2AARG A 14 -4.371 5.915 -5.153 0.50 0.00 H new ATOM 0 HB2BARG A 14 -5.136 6.177 -4.768 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.811 6.326 -6.799 0.50 0.00 H new ATOM 0 HB3BARG A 14 -5.102 6.644 -6.457 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.271 5.836 -5.526 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.840 6.145 -5.666 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.322 6.690 -4.326 0.50 0.00 H new ATOM 0 HG3BARG A 14 -7.094 7.232 -4.511 0.50 0.00 H new ATOM 0 HD2AARG A 14 -5.837 8.488 -5.951 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.872 8.725 -6.125 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.713 7.622 -7.198 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.205 8.507 -6.620 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.305 8.173 -4.792 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.910 7.376 -8.550 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.224 9.325 -7.947 0.50 0.00 H new ATOM 0 HH11BARG A 14 -9.580 7.821 -6.283 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.588 10.431 -8.140 0.50 0.00 H new ATOM 0 HH12BARG A 14 -10.807 7.326 -7.453 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.056 9.593 -5.047 0.50 0.00 H new ATOM 0 HH21BARG A 14 -8.493 6.743 -10.047 0.50 0.00 H new ATOM 0 HH22AARG A 14 -10.185 10.583 -6.505 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.196 6.718 -9.574 0.50 0.00 H new ATOM 345 N AMET A 15 -3.385 3.723 -7.502 0.50 0.00 N ATOM 346 N BMET A 15 -3.633 4.275 -7.034 0.50 0.00 N ATOM 347 CA AMET A 15 -2.083 3.106 -7.731 0.50 0.00 C ATOM 348 CA BMET A 15 -2.304 3.681 -7.102 0.50 0.00 C ATOM 349 C AMET A 15 -1.080 4.131 -8.254 0.50 0.00 C ATOM 350 C BMET A 15 -1.240 4.752 -7.319 0.50 0.00 C ATOM 351 O AMET A 15 -1.234 4.660 -9.355 0.50 0.00 O ATOM 352 O BMET A 15 -1.471 5.737 -8.021 0.50 0.00 O ATOM 353 CB AMET A 15 -2.212 1.950 -8.726 0.50 0.00 C ATOM 354 CB BMET A 15 -2.241 2.649 -8.229 0.50 0.00 C ATOM 355 CG AMET A 15 -0.901 1.225 -8.985 0.50 0.00 C ATOM 356 CG BMET A 15 -1.634 1.322 -7.801 0.50 0.00 C ATOM 357 SD AMET A 15 -1.000 -0.539 -8.627 0.50 0.00 S ATOM 358 SD BMET A 15 -2.853 -0.004 -7.712 0.50 0.00 S ATOM 359 CE AMET A 15 -2.411 -1.009 -9.624 0.50 0.00 C ATOM 360 CE BMET A 15 -2.758 -0.666 -9.373 0.50 0.00 C ATOM 0 H AMET A 15 -3.770 4.211 -8.311 0.50 0.00 H new ATOM 0 H BMET A 15 -3.838 4.936 -7.783 0.50 0.00 H new ATOM 0 HA AMET A 15 -1.719 2.720 -6.779 0.50 0.00 H new ATOM 0 HA BMET A 15 -2.106 3.185 -6.152 0.50 0.00 H new ATOM 0 HB2AMET A 15 -2.945 1.236 -8.349 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.248 2.474 -8.608 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.598 2.335 -9.670 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.657 3.058 -9.054 0.50 0.00 H new ATOM 0 HG2AMET A 15 -0.613 1.365 -10.027 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.850 1.042 -8.504 0.50 0.00 H new ATOM 0 HG3AMET A 15 -0.116 1.672 -8.375 0.50 0.00 H new ATOM 0 HG3BMET A 15 -1.161 1.441 -6.826 0.50 0.00 H new ATOM 0 HE1AMET A 15 -2.283 -2.032 -9.976 0.50 0.00 H new ATOM 0 HE1BMET A 15 -3.457 -1.496 -9.474 0.50 0.00 H new ATOM 0 HE2AMET A 15 -3.319 -0.943 -9.024 0.50 0.00 H new ATOM 0 HE2BMET A 15 -3.014 0.113 -10.091 0.50 0.00 H new ATOM 0 HE3AMET A 15 -2.492 -0.338 -10.479 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.745 -1.019 -9.567 0.50 0.00 H new ATOM 379 N ASER A 16 -0.053 4.405 -7.455 0.50 0.00 N ATOM 380 N BSER A 16 -0.075 4.555 -6.709 0.50 0.00 N ATOM 381 CA ASER A 16 0.973 5.371 -7.835 0.50 0.00 C ATOM 382 CA BSER A 16 1.023 5.507 -6.833 0.50 0.00 C ATOM 383 C ASER A 16 1.798 4.853 -9.010 0.50 0.00 C ATOM 384 C BSER A 16 2.090 4.983 -7.789 0.50 0.00 C ATOM 385 O ASER A 16 1.683 3.689 -9.397 0.50 0.00 O ATOM 386 O BSER A 16 2.685 3.931 -7.558 0.50 0.00 O ATOM 387 CB ASER A 16 1.888 5.668 -6.647 0.50 0.00 C ATOM 388 CB BSER A 16 1.642 5.785 -5.462 0.50 0.00 C ATOM 389 OG ASER A 16 2.199 7.048 -6.574 0.50 0.00 O ATOM 390 OG BSER A 16 1.002 6.876 -4.824 0.50 0.00 O ATOM 0 H ASER A 16 0.091 3.973 -6.542 0.50 0.00 H new ATOM 0 H BSER A 16 0.133 3.745 -6.124 0.50 0.00 H new ATOM 0 HA ASER A 16 0.475 6.292 -8.140 0.50 0.00 H new ATOM 0 HA BSER A 16 0.622 6.436 -7.238 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.403 5.352 -5.723 0.50 0.00 H new ATOM 0 HB2BSER A 16 1.561 4.896 -4.836 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.807 5.089 -6.739 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.705 5.999 -5.576 0.50 0.00 H new ATOM 0 HG ASER A 16 2.784 7.211 -5.805 0.50 0.00 H new ATOM 0 HG BSER A 16 0.146 6.580 -4.450 0.50 0.00 H new ATOM 401 N AARG A 17 2.627 5.724 -9.571 0.50 0.00 N ATOM 402 N BARG A 17 2.328 5.727 -8.865 0.50 0.00 N ATOM 403 CA AARG A 17 3.471 5.357 -10.703 0.50 0.00 C ATOM 404 CA BARG A 17 3.322 5.338 -9.857 0.50 0.00 C ATOM 405 C AARG A 17 4.863 4.947 -10.231 0.50 0.00 C ATOM 406 C BARG A 17 4.704 5.209 -9.222 0.50 0.00 C ATOM 407 O AARG A 17 5.856 5.186 -10.917 0.50 0.00 O ATOM 408 O BARG A 17 4.847 5.297 -8.004 0.50 0.00 O ATOM 409 CB AARG A 17 3.576 6.522 -11.689 0.50 0.00 C ATOM 410 CB BARG A 17 3.367 6.361 -10.994 0.50 0.00 C ATOM 411 CG AARG A 17 2.234 6.988 -12.226 0.50 0.00 C ATOM 412 CG BARG A 17 4.071 7.657 -10.621 0.50 0.00 C ATOM 413 CD AARG A 17 2.224 8.489 -12.476 0.50 0.00 C ATOM 414 CD BARG A 17 3.365 8.865 -11.217 0.50 0.00 C ATOM 415 NE AARG A 17 2.460 9.249 -11.251 0.50 0.00 N ATOM 416 NE BARG A 17 1.977 8.963 -10.771 0.50 0.00 N ATOM 417 CZ AARG A 17 2.118 10.523 -11.100 0.50 0.00 C ATOM 418 CZ BARG A 17 1.270 10.088 -10.809 0.50 0.00 C ATOM 419 NH1AARG A 17 1.528 11.178 -12.090 0.50 0.00 N ATOM 420 NH1BARG A 17 1.818 11.203 -11.269 0.50 0.00 N ATOM 421 NH2AARG A 17 2.368 11.146 -9.954 0.50 0.00 N ATOM 422 NH2BARG A 17 0.013 10.096 -10.386 0.50 0.00 N ATOM 0 H AARG A 17 2.734 6.690 -9.261 0.50 0.00 H new ATOM 0 H BARG A 17 1.846 6.602 -9.071 0.50 0.00 H new ATOM 0 HA AARG A 17 3.011 4.507 -11.207 0.50 0.00 H new ATOM 0 HA BARG A 17 3.034 4.367 -10.260 0.50 0.00 H new ATOM 0 HB2AARG A 17 4.072 7.359 -11.198 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.873 5.917 -11.851 0.50 0.00 H new ATOM 0 HB3AARG A 17 4.208 6.223 -12.525 0.50 0.00 H new ATOM 0 HB3BARG A 17 2.348 6.588 -11.307 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.010 6.462 -13.154 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.107 7.754 -9.536 0.50 0.00 H new ATOM 0 HG3AARG A 17 1.448 6.731 -11.516 0.50 0.00 H new ATOM 0 HG3BARG A 17 5.102 7.627 -10.973 0.50 0.00 H new ATOM 0 HD2AARG A 17 2.989 8.739 -13.211 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.901 9.772 -10.937 0.50 0.00 H new ATOM 0 HD3AARG A 17 1.264 8.779 -12.903 0.50 0.00 H new ATOM 0 HD3BARG A 17 3.393 8.801 -12.305 0.50 0.00 H new ATOM 0 HE AARG A 17 2.912 8.775 -10.469 0.50 0.00 H new ATOM 0 HE BARG A 17 1.526 8.122 -10.411 0.50 0.00 H new ATOM 0 HH11AARG A 17 1.335 10.703 -12.972 0.50 0.00 H new ATOM 0 HH11BARG A 17 2.784 11.199 -11.595 0.50 0.00 H new ATOM 0 HH12AARG A 17 1.267 12.157 -11.970 0.50 0.00 H new ATOM 0 HH12BARG A 17 1.273 12.065 -11.297 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.823 10.646 -9.190 0.50 0.00 H new ATOM 0 HH21BARG A 17 -0.411 9.239 -10.031 0.50 0.00 H new ATOM 0 HH22AARG A 17 2.105 12.125 -9.838 0.50 0.00 H new ATOM 0 HH22BARG A 17 -0.529 10.959 -10.415 0.50 0.00 H new ATOM 449 N AASN A 18 4.928 4.329 -9.057 0.50 0.00 N ATOM 450 N BASN A 18 5.715 4.997 -10.057 0.50 0.00 N ATOM 451 CA AASN A 18 6.198 3.887 -8.493 0.50 0.00 C ATOM 452 CA BASN A 18 7.086 4.854 -9.577 0.50 0.00 C ATOM 453 C AASN A 18 6.000 2.670 -7.595 0.50 0.00 C ATOM 454 C BASN A 18 7.283 3.507 -8.888 0.50 0.00 C ATOM 455 O AASN A 18 5.335 2.749 -6.564 0.50 0.00 O ATOM 456 O BASN A 18 7.989 2.636 -9.396 0.50 0.00 O ATOM 457 CB AASN A 18 6.849 5.021 -7.699 0.50 0.00 C ATOM 458 CB BASN A 18 7.430 5.989 -8.610 0.50 0.00 C ATOM 459 CG AASN A 18 8.047 5.616 -8.414 0.50 0.00 C ATOM 460 CG BASN A 18 8.923 6.241 -8.524 0.50 0.00 C ATOM 461 OD1AASN A 18 8.934 4.893 -8.870 0.50 0.00 O ATOM 462 OD1BASN A 18 9.457 7.111 -9.214 0.50 0.00 O ATOM 463 ND2AASN A 18 8.077 6.939 -8.517 0.50 0.00 N ATOM 464 ND2BASN A 18 9.605 5.482 -7.674 0.50 0.00 N ATOM 0 H AASN A 18 4.115 4.123 -8.477 0.50 0.00 H new ATOM 0 H BASN A 18 5.612 4.920 -11.069 0.50 0.00 H new ATOM 0 HA AASN A 18 6.855 3.606 -9.316 0.50 0.00 H new ATOM 0 HA BASN A 18 7.753 4.903 -10.437 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.112 5.804 -7.518 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.928 6.902 -8.931 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.161 4.646 -6.724 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.047 5.747 -7.619 0.50 0.00 H new ATOM 0 HD21AASN A 18 8.857 7.396 -8.989 0.50 0.00 H new ATOM 0 HD21BASN A 18 10.612 5.608 -7.573 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.320 7.498 -8.124 0.50 0.00 H new ATOM 0 HD22BASN A 18 9.122 4.773 -7.122 0.50 0.00 H new ATOM 477 N ASER A 19 6.585 1.544 -7.996 0.50 0.00 N ATOM 478 N BSER A 19 6.653 3.344 -7.730 0.50 0.00 N ATOM 479 CA ASER A 19 6.470 0.309 -7.229 0.50 0.00 C ATOM 480 CA BSER A 19 6.760 2.104 -6.969 0.50 0.00 C ATOM 481 C ASER A 19 5.029 -0.191 -7.217 0.50 0.00 C ATOM 482 C BSER A 19 5.546 1.211 -7.209 0.50 0.00 C ATOM 483 O ASER A 19 4.671 -1.065 -6.429 0.50 0.00 O ATOM 484 O BSER A 19 5.635 -0.013 -7.127 0.50 0.00 O ATOM 485 CB ASER A 19 6.959 0.527 -5.796 0.50 0.00 C ATOM 486 CB BSER A 19 6.896 2.406 -5.475 0.50 0.00 C ATOM 487 OG ASER A 19 8.117 -0.243 -5.531 0.50 0.00 O ATOM 488 OG BSER A 19 5.737 3.052 -4.978 0.50 0.00 O ATOM 0 H ASER A 19 7.142 1.462 -8.846 0.50 0.00 H new ATOM 0 H BSER A 19 6.063 4.055 -7.297 0.50 0.00 H new ATOM 0 HA ASER A 19 7.094 -0.446 -7.707 0.50 0.00 H new ATOM 0 HA BSER A 19 7.651 1.576 -7.309 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.177 1.583 -5.639 0.50 0.00 H new ATOM 0 HB2BSER A 19 7.063 1.479 -4.927 0.50 0.00 H new ATOM 0 HB3ASER A 19 6.170 0.257 -5.094 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.769 3.037 -5.306 0.50 0.00 H new ATOM 0 HG ASER A 19 8.411 -0.085 -4.610 0.50 0.00 H new ATOM 0 HG BSER A 19 5.949 3.984 -4.762 0.50 0.00 H new ATOM 499 N AGLY A 20 4.205 0.371 -8.098 0.50 0.00 N ATOM 500 N BGLY A 20 4.410 1.835 -7.508 0.50 0.00 N ATOM 501 CA AGLY A 20 2.814 -0.029 -8.173 0.50 0.00 C ATOM 502 CA BGLY A 20 3.195 1.084 -7.756 0.50 0.00 C ATOM 503 C AGLY A 20 2.167 -0.138 -6.805 0.50 0.00 C ATOM 504 C BGLY A 20 2.607 0.496 -6.489 0.50 0.00 C ATOM 505 O AGLY A 20 1.323 -1.004 -6.578 0.50 0.00 O ATOM 506 O BGLY A 20 2.211 -0.669 -6.463 0.50 0.00 O ATOM 0 H AGLY A 20 4.478 1.097 -8.761 0.50 0.00 H new ATOM 0 H BGLY A 20 4.311 2.847 -7.583 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.263 0.694 -8.775 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.458 1.736 -8.226 0.50 0.00 H new ATOM 0 HA3AGLY A 20 2.742 -0.990 -8.683 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.406 0.280 -8.462 0.50 0.00 H new ATOM 513 N AARG A 21 2.565 0.742 -5.893 0.50 0.00 N ATOM 514 N BARG A 21 2.551 1.303 -5.434 0.50 0.00 N ATOM 515 CA AARG A 21 2.021 0.740 -4.540 0.50 0.00 C ATOM 516 CA BARG A 21 2.010 0.856 -4.157 0.50 0.00 C ATOM 517 C AARG A 21 0.519 1.005 -4.558 0.50 0.00 C ATOM 518 C BARG A 21 0.584 1.362 -3.962 0.50 0.00 C ATOM 519 O AARG A 21 0.037 1.851 -5.311 0.50 0.00 O ATOM 520 O BARG A 21 0.369 2.516 -3.588 0.50 0.00 O ATOM 521 CB AARG A 21 2.726 1.791 -3.681 0.50 0.00 C ATOM 522 CB BARG A 21 2.895 1.339 -3.006 0.50 0.00 C ATOM 523 CG AARG A 21 3.987 1.278 -3.003 0.50 0.00 C ATOM 524 CG BARG A 21 3.823 0.267 -2.459 0.50 0.00 C ATOM 525 CD AARG A 21 4.997 2.394 -2.791 0.50 0.00 C ATOM 526 CD BARG A 21 5.202 0.828 -2.152 0.50 0.00 C ATOM 527 NE AARG A 21 4.508 3.405 -1.859 0.50 0.00 N ATOM 528 NE BARG A 21 5.185 1.729 -1.003 0.50 0.00 N ATOM 529 CZ AARG A 21 3.946 4.548 -2.240 0.50 0.00 C ATOM 530 CZ BARG A 21 5.166 3.053 -1.110 0.50 0.00 C ATOM 531 NH1AARG A 21 3.805 4.821 -3.528 0.50 0.00 N ATOM 532 NH1BARG A 21 5.165 3.625 -2.305 0.50 0.00 N ATOM 533 NH2AARG A 21 3.526 5.418 -1.331 0.50 0.00 N ATOM 534 NH2BARG A 21 5.150 3.805 -0.017 0.50 0.00 N ATOM 0 H AARG A 21 3.262 1.466 -6.066 0.50 0.00 H new ATOM 0 H BARG A 21 2.874 2.270 -5.439 0.50 0.00 H new ATOM 0 HA AARG A 21 2.193 -0.246 -4.108 0.50 0.00 H new ATOM 0 HA BARG A 21 1.993 -0.234 -4.161 0.50 0.00 H new ATOM 0 HB2AARG A 21 2.982 2.646 -4.306 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.492 2.184 -3.348 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.034 2.149 -2.919 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.260 1.704 -2.199 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.729 0.831 -2.043 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.393 -0.160 -1.553 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.434 0.491 -3.611 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.911 -0.543 -3.183 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.928 1.973 -2.413 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.892 0.007 -1.958 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.225 2.863 -3.748 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.579 1.361 -3.025 0.50 0.00 H new ATOM 0 HE AARG A 21 4.603 3.225 -0.860 0.50 0.00 H new ATOM 0 HE BARG A 21 5.188 1.320 -0.069 0.50 0.00 H new ATOM 0 HH11AARG A 21 4.128 4.154 -4.229 0.50 0.00 H new ATOM 0 HH11BARG A 21 5.179 3.049 -3.146 0.50 0.00 H new ATOM 0 HH12AARG A 21 3.374 5.698 -3.819 0.50 0.00 H new ATOM 0 HH12BARG A 21 5.150 4.642 -2.384 0.50 0.00 H new ATOM 0 HH21AARG A 21 3.634 5.210 -0.338 0.50 0.00 H new ATOM 0 HH21BARG A 21 5.152 3.366 0.904 0.50 0.00 H new ATOM 0 HH22AARG A 21 3.095 6.295 -1.625 0.50 0.00 H new ATOM 0 HH22BARG A 21 5.135 4.822 -0.098 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.217 0.277 -3.724 0.50 0.00 N ATOM 562 N BVAL A 22 -0.388 0.493 -4.220 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.664 0.435 -3.644 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.793 0.851 -4.074 0.50 0.00 C ATOM 565 C AVAL A 22 -2.096 0.829 -2.235 0.50 0.00 C ATOM 566 C BVAL A 22 -2.057 1.504 -2.721 0.50 0.00 C ATOM 567 O AVAL A 22 -1.537 0.352 -1.247 0.50 0.00 O ATOM 568 O BVAL A 22 -1.582 1.027 -1.687 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.393 -0.861 -4.048 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.706 -0.381 -4.221 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.898 -0.695 -3.897 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.552 -1.308 -3.027 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.030 -1.250 -5.473 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.155 0.046 -4.392 0.50 0.00 C ATOM 0 H AVAL A 22 0.165 -0.428 -3.094 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.227 -0.465 -4.531 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.935 1.228 -4.340 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.021 1.561 -4.869 0.50 0.00 H new ATOM 0 HB AVAL A 22 -2.073 -1.663 -3.383 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.405 -0.928 -5.114 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.397 -1.620 -4.187 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.205 -2.172 -3.150 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -4.136 -0.464 -2.859 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.517 -1.643 -2.957 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.240 0.118 -4.537 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -2.823 -0.775 -2.115 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.553 -2.167 -5.744 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.785 -0.838 -4.494 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.323 -0.451 -6.154 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.471 0.618 -3.520 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.954 -1.411 -5.543 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.249 0.664 -5.285 0.50 0.00 H new ATOM 593 N ATYR A 23 -3.094 1.701 -2.151 0.50 0.00 N ATOM 594 N BTYR A 23 -2.813 2.594 -2.734 0.50 0.00 N ATOM 595 CA ATYR A 23 -3.601 2.162 -0.864 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.138 3.313 -1.507 0.50 0.00 C ATOM 597 C ATYR A 23 -5.060 2.594 -0.975 0.50 0.00 C ATOM 598 C BTYR A 23 -4.607 3.727 -1.490 0.50 0.00 C ATOM 599 O ATYR A 23 -5.644 2.575 -2.059 0.50 0.00 O ATOM 600 O BTYR A 23 -5.113 4.297 -2.456 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.751 3.324 -0.343 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.248 4.548 -1.364 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.741 4.524 -1.261 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.482 5.591 -2.434 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.928 4.556 -2.388 0.50 0.00 C ATOM 606 CD1BTYR A 23 -1.780 5.558 -3.632 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.545 5.628 -1.003 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.408 6.611 -2.246 0.50 0.00 C ATOM 609 CE1ATYR A 23 -1.914 5.652 -3.228 0.50 0.00 C ATOM 610 CE1BTYR A 23 -1.991 6.509 -4.612 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.539 6.726 -1.840 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.627 7.566 -3.220 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.722 6.734 -2.951 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.916 7.510 -4.401 0.50 0.00 C ATOM 615 OH ATYR A 23 -2.713 7.828 -3.787 0.50 0.00 O ATOM 616 OH BTYR A 23 -3.131 8.461 -5.373 0.50 0.00 O ATOM 0 H ATYR A 23 -3.568 2.103 -2.959 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.213 3.000 -3.580 0.50 0.00 H new ATOM 0 HA ATYR A 23 -3.540 1.332 -0.160 0.50 0.00 H new ATOM 0 HA BTYR A 23 -2.958 2.644 -0.666 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -3.126 3.628 0.635 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -2.420 4.998 -0.386 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.727 2.979 -0.199 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.203 4.238 -1.393 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -1.296 3.709 -2.611 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.056 4.775 -3.801 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -4.185 5.627 -0.133 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -3.966 6.658 -1.322 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.273 5.661 -4.097 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.435 6.469 -5.537 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.171 7.575 -1.626 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.350 8.351 -3.058 0.50 0.00 H new ATOM 0 HH ATYR A 23 -3.339 8.502 -3.450 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.815 9.093 -5.067 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.642 2.982 0.153 0.50 0.00 N ATOM 636 N BTYR A 24 -5.284 3.436 -0.386 0.50 0.00 N ATOM 637 CA ATYR A 24 -7.033 3.418 0.185 0.50 0.00 C ATOM 638 CA BTYR A 24 -6.695 3.775 -0.243 0.50 0.00 C ATOM 639 C ATYR A 24 -7.141 4.864 0.660 0.50 0.00 C ATOM 640 C BTYR A 24 -6.867 5.056 0.567 0.50 0.00 C ATOM 641 O ATYR A 24 -6.656 5.213 1.737 0.50 0.00 O ATOM 642 O BTYR A 24 -6.315 5.194 1.659 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.854 2.506 1.098 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.450 2.627 0.431 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.989 1.092 0.580 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.072 1.262 -0.096 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.084 0.105 0.954 0.50 0.00 C ATOM 648 CD1BTYR A 24 -6.633 0.261 0.761 0.50 0.00 C ATOM 649 CD2ATYR A 24 -9.020 0.744 -0.285 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.155 0.972 -1.453 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.204 -1.188 0.482 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.285 -0.988 0.284 0.50 0.00 C ATOM 653 CE2ATYR A 24 -9.145 -0.547 -0.760 0.50 0.00 C ATOM 654 CE2BTYR A 24 -6.811 -0.275 -1.937 0.50 0.00 C ATOM 655 CZ ATYR A 24 -8.236 -1.510 -0.374 0.50 0.00 C ATOM 656 CZ BTYR A 24 -6.378 -1.252 -1.067 0.50 0.00 C ATOM 657 OH ATYR A 24 -8.358 -2.796 -0.847 0.50 0.00 O ATOM 658 OH BTYR A 24 -6.034 -2.494 -1.545 0.50 0.00 O ATOM 0 H ATYR A 24 -5.172 3.004 1.058 0.50 0.00 H new ATOM 0 H BTYR A 24 -4.879 2.966 0.424 0.50 0.00 H new ATOM 0 HA ATYR A 24 -7.429 3.358 -0.829 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.107 3.938 -1.239 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.390 2.480 2.084 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.260 2.658 1.504 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.848 2.934 1.225 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.521 2.777 0.293 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -6.274 0.353 1.624 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.562 0.463 1.820 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -9.734 1.494 -0.590 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -7.494 1.734 -2.140 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -6.493 -1.943 0.782 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -5.942 -1.753 0.965 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -9.952 -0.802 -1.431 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.881 -0.484 -2.994 0.50 0.00 H new ATOM 0 HH ATYR A 24 -9.138 -2.855 -1.438 0.50 0.00 H new ATOM 0 HH BTYR A 24 -6.157 -2.516 -2.517 0.50 0.00 H new ATOM 677 N APHE A 25 -7.779 5.700 -0.150 0.50 0.00 N ATOM 678 N BPHE A 25 -7.639 5.993 0.023 0.50 0.00 N ATOM 679 CA APHE A 25 -7.952 7.108 0.186 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.884 7.264 0.693 0.50 0.00 C ATOM 681 C APHE A 25 -9.432 7.454 0.338 0.50 0.00 C ATOM 682 C BPHE A 25 -9.297 7.763 0.408 0.50 0.00 C ATOM 683 O APHE A 25 -10.241 7.161 -0.540 0.50 0.00 O ATOM 684 O BPHE A 25 -9.718 7.845 -0.746 0.50 0.00 O ATOM 685 CB APHE A 25 -7.319 7.993 -0.890 0.50 0.00 C ATOM 686 CB BPHE A 25 -6.861 8.308 0.244 0.50 0.00 C ATOM 687 CG APHE A 25 -7.302 9.452 -0.533 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.481 9.604 -0.195 0.50 0.00 C ATOM 689 CD1APHE A 25 -6.630 9.896 0.596 0.50 0.00 C ATOM 690 CD1BPHE A 25 -7.785 9.826 -1.527 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.958 10.379 -1.324 0.50 0.00 C ATOM 692 CD2BPHE A 25 -7.758 10.602 0.726 0.50 0.00 C ATOM 693 CE1APHE A 25 -6.613 11.238 0.926 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.354 11.018 -1.934 0.50 0.00 C ATOM 695 CE2APHE A 25 -7.943 11.722 -0.999 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.327 11.795 0.325 0.50 0.00 C ATOM 697 CZ APHE A 25 -7.272 12.153 0.128 0.50 0.00 C ATOM 698 CZ BPHE A 25 -8.625 12.004 -1.007 0.50 0.00 C ATOM 0 H APHE A 25 -8.185 5.427 -1.045 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.105 5.895 -0.879 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.454 7.292 1.138 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.782 7.107 1.767 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.297 7.659 -1.069 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.170 8.504 1.064 0.50 0.00 H new ATOM 0 HB3APHE A 25 -7.865 7.862 -1.824 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -6.273 7.899 -0.578 0.50 0.00 H new ATOM 0 HD1APHE A 25 -6.114 9.185 1.224 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -7.575 9.058 -2.257 0.50 0.00 H new ATOM 0 HD2APHE A 25 -8.488 10.049 -2.205 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -7.526 10.445 1.769 0.50 0.00 H new ATOM 0 HE1APHE A 25 -6.085 11.571 1.807 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -8.586 11.178 -2.977 0.50 0.00 H new ATOM 0 HE2APHE A 25 -8.457 12.435 -1.627 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -8.539 12.564 1.053 0.50 0.00 H new ATOM 0 HZ APHE A 25 -7.262 13.202 0.385 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -9.069 12.937 -1.323 0.50 0.00 H new ATOM 717 N AASN A 26 -9.775 8.081 1.459 0.50 0.00 N ATOM 718 N BASN A 26 -10.027 8.097 1.467 0.50 0.00 N ATOM 719 CA AASN A 26 -11.154 8.464 1.728 0.50 0.00 C ATOM 720 CA BASN A 26 -11.393 8.589 1.331 0.50 0.00 C ATOM 721 C AASN A 26 -11.378 9.942 1.415 0.50 0.00 C ATOM 722 C BASN A 26 -11.475 10.072 1.677 0.50 0.00 C ATOM 723 O AASN A 26 -10.646 10.807 1.898 0.50 0.00 O ATOM 724 O BASN A 26 -11.027 10.499 2.743 0.50 0.00 O ATOM 725 CB AASN A 26 -11.512 8.182 3.187 0.50 0.00 C ATOM 726 CB BASN A 26 -12.337 7.791 2.233 0.50 0.00 C ATOM 727 CG AASN A 26 -13.005 8.241 3.441 0.50 0.00 C ATOM 728 CG BASN A 26 -13.776 8.253 2.117 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.767 8.738 2.612 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.086 9.175 1.359 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.429 7.735 4.594 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.666 7.614 2.868 0.50 0.00 N ATOM 0 H AASN A 26 -9.116 8.334 2.195 0.50 0.00 H new ATOM 0 H BASN A 26 -9.695 8.036 2.430 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.801 7.870 1.083 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.697 8.459 0.292 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.138 7.197 3.465 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.276 6.734 1.974 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.009 8.906 3.828 0.50 0.00 H new ATOM 0 HB3BASN A 26 -12.011 7.885 3.269 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.423 7.749 4.822 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.650 7.881 2.831 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.760 7.333 5.251 0.50 0.00 H new ATOM 0 HD22BASN A 26 -14.366 6.856 3.481 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.395 10.223 0.605 0.50 0.00 N ATOM 746 N BHIS A 27 -12.050 10.855 0.770 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.715 11.596 0.230 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.191 12.293 0.980 0.50 0.00 C ATOM 749 C AHIS A 27 -13.635 12.239 1.262 0.50 0.00 C ATOM 750 C BHIS A 27 -13.051 12.580 2.208 0.50 0.00 C ATOM 751 O AHIS A 27 -13.939 13.431 1.179 0.50 0.00 O ATOM 752 O BHIS A 27 -12.965 13.657 2.798 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.376 11.628 -1.148 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.809 12.951 -0.254 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.714 10.955 -1.187 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.017 12.234 -0.775 0.50 0.00 C ATOM 757 ND1AHIS A 27 -15.844 11.495 -0.609 0.50 0.00 N ATOM 758 ND1BHIS A 27 -13.942 11.165 -1.641 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.100 9.782 -1.742 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.334 12.439 -0.546 0.50 0.00 C ATOM 761 CE1AHIS A 27 -16.866 10.682 -0.805 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.162 10.743 -1.923 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.443 9.635 -1.491 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.025 11.500 -1.270 0.50 0.00 N ATOM 0 H AHIS A 27 -13.010 9.519 0.197 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.426 10.519 -0.117 0.50 0.00 H new ATOM 0 HA AHIS A 27 -11.785 12.164 0.193 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.198 12.711 1.147 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.491 12.665 -1.463 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.083 13.977 -0.009 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.716 11.147 -1.870 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.058 13.001 -1.043 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.470 9.091 -2.282 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -15.762 13.200 0.089 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -17.877 10.845 -0.462 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -15.411 9.920 -2.576 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -17.019 8.847 -1.786 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.040 11.403 -1.299 0.50 0.00 H new ATOM 779 N AILE A 28 -14.075 11.447 2.232 0.50 0.00 N ATOM 780 N BILE A 28 -13.877 11.611 2.586 0.50 0.00 N ATOM 781 CA AILE A 28 -14.959 11.942 3.282 0.50 0.00 C ATOM 782 CA BILE A 28 -14.750 11.761 3.743 0.50 0.00 C ATOM 783 C AILE A 28 -14.170 12.348 4.520 0.50 0.00 C ATOM 784 C BILE A 28 -13.987 11.527 5.042 0.50 0.00 C ATOM 785 O AILE A 28 -14.419 13.397 5.116 0.50 0.00 O ATOM 786 O BILE A 28 -14.283 12.140 6.068 0.50 0.00 O ATOM 787 CB AILE A 28 -16.009 10.887 3.676 0.50 0.00 C ATOM 788 CB BILE A 28 -15.942 10.788 3.678 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.724 10.356 2.434 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.873 11.160 2.522 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.010 11.477 4.659 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.701 10.791 4.997 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.977 9.566 2.747 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.125 10.317 2.458 0.50 0.00 C ATOM 0 H AILE A 28 -13.835 10.459 2.314 0.50 0.00 H new ATOM 0 H BILE A 28 -13.960 10.714 2.108 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.469 12.817 2.879 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.125 12.784 3.725 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.500 10.054 4.161 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.560 9.782 3.502 0.50 0.00 H new ATOM 0 HG12AILE A 28 -16.985 11.195 1.789 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.156 12.208 2.617 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.037 9.724 1.872 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.330 11.060 1.582 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.746 10.719 4.928 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.540 10.098 4.935 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.487 11.809 5.556 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.034 10.482 5.801 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.515 12.326 4.198 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.073 11.795 5.200 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.431 9.221 1.818 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.737 10.637 1.614 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.720 8.707 3.366 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.852 9.269 2.331 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.683 10.201 3.282 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.691 10.435 3.382 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.211 11.509 4.905 0.50 0.00 N ATOM 818 N BTHR A 29 -13.002 10.635 4.990 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.383 11.780 6.073 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.195 10.321 6.163 0.50 0.00 C ATOM 821 C ATHR A 29 -10.971 12.187 5.665 0.50 0.00 C ATOM 822 C BTHR A 29 -11.010 11.271 6.286 0.50 0.00 C ATOM 823 O ATHR A 29 -10.096 12.358 6.511 0.50 0.00 O ATOM 824 O BTHR A 29 -10.592 11.616 7.390 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.304 10.552 7.002 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.672 8.873 6.112 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.843 9.413 6.267 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.803 8.703 4.986 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.661 10.252 7.618 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.826 7.884 6.022 0.50 0.00 C ATOM 0 H ATHR A 29 -12.990 10.637 4.424 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.744 10.118 4.149 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.854 12.604 6.610 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.842 10.437 7.032 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.601 10.774 7.805 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.117 8.679 7.030 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.794 8.637 6.863 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.993 9.396 4.319 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.581 9.382 8.269 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.433 6.868 5.987 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -13.994 11.111 8.200 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.469 7.994 6.895 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.382 10.048 6.827 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.404 8.080 5.119 0.50 0.00 H new ATOM 845 N AASN A 30 -10.758 12.338 4.361 0.50 0.00 N ATOM 846 N BASN A 30 -10.473 11.694 5.145 0.50 0.00 N ATOM 847 CA AASN A 30 -9.451 12.724 3.841 0.50 0.00 C ATOM 848 CA BASN A 30 -9.337 12.606 5.126 0.50 0.00 C ATOM 849 C AASN A 30 -8.346 11.879 4.467 0.50 0.00 C ATOM 850 C BASN A 30 -8.099 11.944 5.724 0.50 0.00 C ATOM 851 O AASN A 30 -7.208 12.331 4.599 0.50 0.00 O ATOM 852 O BASN A 30 -7.356 12.567 6.483 0.50 0.00 O ATOM 853 CB AASN A 30 -9.191 14.208 4.110 0.50 0.00 C ATOM 854 CB BASN A 30 -9.669 13.885 5.897 0.50 0.00 C ATOM 855 CG AASN A 30 -10.472 15.014 4.193 0.50 0.00 C ATOM 856 CG BASN A 30 -9.050 15.117 5.267 0.50 0.00 C ATOM 857 OD1AASN A 30 -10.711 15.722 5.172 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.702 16.152 5.127 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.305 14.910 3.163 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.782 15.012 4.882 0.50 0.00 N ATOM 0 H AASN A 30 -11.473 12.199 3.646 0.50 0.00 H new ATOM 0 H BASN A 30 -10.808 11.419 4.222 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.449 12.551 2.765 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.125 12.862 4.088 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.638 14.314 5.043 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.751 14.008 5.942 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.561 14.613 3.318 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.316 13.789 6.924 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.183 15.429 3.163 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.312 15.808 4.452 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.066 14.311 2.372 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.279 14.135 5.017 0.50 0.00 H new ATOM 873 N AALA A 31 -8.688 10.654 4.849 0.50 0.00 N ATOM 874 N BALA A 31 -7.884 10.680 5.378 0.50 0.00 N ATOM 875 CA AALA A 31 -7.723 9.746 5.458 0.50 0.00 C ATOM 876 CA BALA A 31 -6.735 9.935 5.880 0.50 0.00 C ATOM 877 C AALA A 31 -7.192 8.745 4.438 0.50 0.00 C ATOM 878 C BALA A 31 -6.453 8.712 5.013 0.50 0.00 C ATOM 879 O AALA A 31 -7.907 8.340 3.521 0.50 0.00 O ATOM 880 O BALA A 31 -7.376 8.052 4.536 0.50 0.00 O ATOM 881 CB AALA A 31 -8.356 9.019 6.635 0.50 0.00 C ATOM 882 CB BALA A 31 -6.966 9.519 7.325 0.50 0.00 C ATOM 0 H AALA A 31 -9.626 10.267 4.748 0.50 0.00 H new ATOM 0 H BALA A 31 -8.490 10.150 4.752 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.881 10.337 5.819 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.863 10.587 5.837 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.626 8.344 7.081 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.100 8.964 7.687 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.681 9.746 7.380 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.111 10.407 7.941 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.216 8.445 6.289 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.853 8.888 7.385 0.50 0.00 H new ATOM 893 N ASER A 32 -5.934 8.350 4.604 0.50 0.00 N ATOM 894 N BSER A 32 -5.173 8.418 4.813 0.50 0.00 N ATOM 895 CA ASER A 32 -5.306 7.398 3.695 0.50 0.00 C ATOM 896 CA BSER A 32 -4.769 7.276 4.001 0.50 0.00 C ATOM 897 C ASER A 32 -4.580 6.303 4.471 0.50 0.00 C ATOM 898 C BSER A 32 -4.306 6.117 4.880 0.50 0.00 C ATOM 899 O ASER A 32 -4.113 6.526 5.588 0.50 0.00 O ATOM 900 O BSER A 32 -3.889 6.321 6.021 0.50 0.00 O ATOM 901 CB ASER A 32 -4.324 8.118 2.768 0.50 0.00 C ATOM 902 CB BSER A 32 -3.652 7.679 3.037 0.50 0.00 C ATOM 903 OG ASER A 32 -2.985 7.901 3.176 0.50 0.00 O ATOM 904 OG BSER A 32 -3.405 9.073 3.098 0.50 0.00 O ATOM 0 H ASER A 32 -5.330 8.674 5.359 0.50 0.00 H new ATOM 0 H BSER A 32 -4.398 8.954 5.202 0.50 0.00 H new ATOM 0 HA ASER A 32 -6.089 6.935 3.095 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.635 6.947 3.426 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.458 7.764 1.746 0.50 0.00 H new ATOM 0 HB2BSER A 32 -2.741 7.134 3.283 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.538 9.187 2.766 0.50 0.00 H new ATOM 0 HB3BSER A 32 -3.926 7.399 2.020 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.377 8.370 2.567 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.686 9.305 2.474 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.491 5.121 3.871 0.50 0.00 N ATOM 916 N BGLN A 33 -4.378 4.907 4.341 0.50 0.00 N ATOM 917 CA AGLN A 33 -3.823 3.991 4.505 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.968 3.716 5.078 0.50 0.00 C ATOM 919 C AGLN A 33 -3.677 2.827 3.530 0.50 0.00 C ATOM 920 C BGLN A 33 -3.331 2.692 4.143 0.50 0.00 C ATOM 921 O AGLN A 33 -4.504 2.645 2.636 0.50 0.00 O ATOM 922 O BGLN A 33 -3.538 2.728 2.931 0.50 0.00 O ATOM 923 CB AGLN A 33 -4.602 3.540 5.742 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.167 3.094 5.794 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.978 2.978 5.424 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.779 2.118 6.893 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.596 2.249 6.600 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.820 2.033 7.991 0.50 0.00 C ATOM 929 OE1AGLN A 33 -6.813 1.038 6.550 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.630 2.566 9.085 0.50 0.00 O ATOM 931 NE2AGLN A 33 -6.884 2.983 7.668 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.929 1.360 7.706 0.50 0.00 N ATOM 0 H AGLN A 33 -4.873 4.921 2.947 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.716 4.723 3.396 0.50 0.00 H new ATOM 0 HA AGLN A 33 -2.827 4.314 4.808 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.228 4.015 5.820 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -4.023 2.782 6.270 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.776 3.889 6.224 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -4.712 4.386 6.420 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -5.788 2.577 5.063 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -6.637 3.791 5.118 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.632 1.129 6.460 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -5.901 2.295 4.578 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -3.825 2.423 7.324 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -6.688 3.984 7.667 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.045 0.934 6.786 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.302 2.546 8.490 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.665 1.269 8.407 0.50 0.00 H new ATOM 949 N APHE A 34 -2.621 2.042 3.708 0.50 0.00 N ATOM 950 N BPHE A 34 -2.552 1.781 4.716 0.50 0.00 N ATOM 951 CA APHE A 34 -2.366 0.895 2.841 0.50 0.00 C ATOM 952 CA BPHE A 34 -1.883 0.746 3.935 0.50 0.00 C ATOM 953 C APHE A 34 -3.336 -0.241 3.146 0.50 0.00 C ATOM 954 C BPHE A 34 -2.478 -0.628 4.229 0.50 0.00 C ATOM 955 O APHE A 34 -3.759 -0.968 2.247 0.50 0.00 O ATOM 956 O BPHE A 34 -1.802 -1.648 4.097 0.50 0.00 O ATOM 957 CB APHE A 34 -0.924 0.411 3.013 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.384 0.741 4.237 0.50 0.00 C ATOM 959 CG APHE A 34 0.102 1.478 2.753 0.50 0.00 C ATOM 960 CG BPHE A 34 0.460 1.235 3.096 0.50 0.00 C ATOM 961 CD1APHE A 34 0.238 2.033 1.491 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.250 2.495 2.556 0.50 0.00 C ATOM 963 CD2APHE A 34 0.929 1.924 3.769 0.50 0.00 C ATOM 964 CD2BPHE A 34 1.462 0.440 2.560 0.50 0.00 C ATOM 965 CE1APHE A 34 1.180 3.015 1.248 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.023 2.953 1.508 0.50 0.00 C ATOM 967 CE2APHE A 34 1.873 2.906 3.535 0.50 0.00 C ATOM 968 CE2BPHE A 34 2.237 0.893 1.513 0.50 0.00 C ATOM 969 CZ APHE A 34 1.999 3.450 2.272 0.50 0.00 C ATOM 970 CZ BPHE A 34 2.018 2.151 0.983 0.50 0.00 C ATOM 0 H APHE A 34 -1.927 2.177 4.444 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.368 1.738 5.718 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.516 1.209 1.808 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.034 0.968 2.878 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.795 0.033 4.027 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.196 1.362 5.113 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.747 -0.425 2.336 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.077 -0.273 4.493 0.50 0.00 H new ATOM 0 HD1APHE A 34 -0.399 1.694 0.688 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.528 3.126 2.960 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.836 1.499 4.758 0.50 0.00 H new ATOM 0 HD2BPHE A 34 1.637 -0.545 2.967 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.275 3.441 0.260 0.50 0.00 H new ATOM 0 HE1BPHE A 34 0.850 3.937 1.099 0.50 0.00 H new ATOM 0 HE2APHE A 34 2.510 3.247 4.338 0.50 0.00 H new ATOM 0 HE2BPHE A 34 3.016 0.264 1.107 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.738 4.215 2.085 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.623 2.506 0.161 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.683 -0.391 4.421 0.50 0.00 N ATOM 990 N BGLU A 35 -3.745 -0.643 4.630 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.602 -1.441 4.845 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.431 -1.892 4.945 0.50 0.00 C ATOM 993 C AGLU A 35 -6.042 -1.080 4.489 0.50 0.00 C ATOM 994 C BGLU A 35 -5.908 -1.808 4.576 0.50 0.00 C ATOM 995 O AGLU A 35 -6.349 0.074 4.194 0.50 0.00 O ATOM 996 O BGLU A 35 -6.511 -0.736 4.621 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.483 -1.676 6.351 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.282 -2.220 6.431 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.048 -1.727 6.848 0.50 0.00 C ATOM 1000 CG BGLU A 35 -3.021 -3.002 6.759 0.50 0.00 C ATOM 1001 CD AGLU A 35 -2.685 -0.533 7.709 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.821 -2.103 6.985 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -1.532 -0.062 7.616 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.965 -1.091 7.703 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -3.555 -0.066 8.475 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -0.737 -2.411 6.445 0.50 0.00 O ATOM 0 H AGLU A 35 -3.341 0.201 5.178 0.50 0.00 H new ATOM 0 H BGLU A 35 -4.317 0.194 4.745 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.334 -2.357 4.319 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.973 -2.688 4.358 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -5.013 -0.882 6.877 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.282 -1.291 7.001 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -4.980 -2.613 6.604 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -5.150 -2.793 6.757 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.898 -2.642 7.421 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -3.193 -3.604 7.651 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.373 -1.772 5.993 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.804 -3.694 5.945 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.919 -2.079 4.514 0.50 0.00 N ATOM 1020 N BARG A 36 -6.486 -2.949 4.210 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.324 -1.869 4.192 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.894 -3.004 3.831 0.50 0.00 C ATOM 1023 C AARG A 36 -9.140 -1.622 5.457 0.50 0.00 C ATOM 1024 C BARG A 36 -8.757 -2.246 4.837 0.50 0.00 C ATOM 1025 O AARG A 36 -9.379 -2.525 6.258 0.50 0.00 O ATOM 1026 O BARG A 36 -9.000 -2.705 5.953 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.882 -3.078 3.439 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.360 -4.459 3.736 0.50 0.00 C ATOM 1029 CG AARG A 36 -10.231 -2.820 2.785 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.757 -4.613 3.156 0.50 0.00 C ATOM 1031 CD AARG A 36 -11.131 -4.041 2.862 0.50 0.00 C ATOM 1032 CD BARG A 36 -9.710 -4.936 1.671 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.646 -5.133 2.022 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.713 -5.928 1.295 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.390 -6.174 1.667 0.50 0.00 C ATOM 1036 CZ BARG A 36 -10.802 -6.459 0.080 0.50 0.00 C ATOM 1037 NH1AARG A 36 -12.646 -6.266 2.078 0.50 0.00 N ATOM 1038 NH1BARG A 36 -9.952 -6.095 -0.870 0.50 0.00 N ATOM 1039 NH2AARG A 36 -10.876 -7.128 0.900 0.50 0.00 N ATOM 1040 NH2BARG A 36 -11.741 -7.358 -0.184 0.50 0.00 N ATOM 0 H AARG A 36 -6.680 -3.041 4.754 0.50 0.00 H new ATOM 0 H BARG A 36 -6.002 -3.846 4.168 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.398 -0.987 3.555 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.003 -2.530 2.856 0.50 0.00 H new ATOM 0 HB2AARG A 36 -8.168 -3.379 2.672 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.656 -5.018 3.120 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.978 -3.914 4.132 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.337 -4.905 4.730 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.718 -1.977 3.274 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.287 -5.405 3.685 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.083 -2.541 1.742 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.321 -3.693 3.312 0.50 0.00 H new ATOM 0 HD2AARG A 36 -11.194 -4.380 3.896 0.50 0.00 H new ATOM 0 HD2BARG A 36 -9.869 -4.024 1.096 0.50 0.00 H new ATOM 0 HD3AARG A 36 -12.140 -3.767 2.554 0.50 0.00 H new ATOM 0 HD3BARG A 36 -8.718 -5.307 1.412 0.50 0.00 H new ATOM 0 HE AARG A 36 -9.682 -5.094 1.690 0.50 0.00 H new ATOM 0 HE BARG A 36 -11.382 -6.230 2.003 0.50 0.00 H new ATOM 0 HH11AARG A 36 -13.044 -5.536 2.669 0.50 0.00 H new ATOM 0 HH11BARG A 36 -9.227 -5.406 -0.669 0.50 0.00 H new ATOM 0 HH12AARG A 36 -13.215 -7.067 1.804 0.50 0.00 H new ATOM 0 HH12BARG A 36 -10.023 -6.504 -1.802 0.50 0.00 H new ATOM 0 HH21AARG A 36 -9.909 -7.062 0.583 0.50 0.00 H new ATOM 0 HH21BARG A 36 -12.395 -7.642 0.546 0.50 0.00 H new ATOM 0 HH22AARG A 36 -11.448 -7.927 0.628 0.50 0.00 H new ATOM 0 HH22BARG A 36 -11.809 -7.765 -1.117 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.582 -0.368 5.641 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.233 -1.059 4.432 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.377 0.029 6.806 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.077 -0.215 5.281 0.50 0.00 C ATOM 1071 C APRO A 37 -11.783 -0.565 6.777 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.465 -0.808 5.496 0.50 0.00 C ATOM 1073 O APRO A 37 -12.438 -0.578 5.735 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.291 -0.824 4.582 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.439 1.553 6.694 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.170 1.096 4.495 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.253 1.833 5.242 0.50 0.00 C ATOM 1078 CG BPRO A 37 -9.945 0.703 3.077 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.334 0.760 4.727 0.50 0.00 C ATOM 1080 CD BPRO A 37 -8.985 -0.453 3.114 0.50 0.00 C ATOM 0 HA APRO A 37 -9.937 -0.325 7.738 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.662 -0.100 6.282 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.394 1.938 7.052 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.144 1.568 4.625 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.660 2.026 7.292 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.421 1.813 4.831 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.207 1.815 4.716 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -10.882 0.417 2.598 0.50 0.00 H new ATOM 0 HG3APRO A 37 -9.823 2.822 5.087 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.534 1.533 2.503 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.562 0.498 3.694 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.174 -1.159 2.305 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.291 1.077 4.753 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -7.952 -0.121 3.012 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.239 -1.052 7.925 0.50 0.00 N ATOM 1096 N BSER A 38 -11.716 -1.297 6.705 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.565 -1.650 8.029 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.004 -1.895 7.037 0.50 0.00 C ATOM 1099 C ASER A 38 -14.422 -0.897 9.044 0.50 0.00 C ATOM 1100 C BSER A 38 -14.104 -0.839 7.055 0.50 0.00 C ATOM 1101 O ASER A 38 -14.666 -1.380 10.148 0.50 0.00 O ATOM 1102 O BSER A 38 -14.952 -0.794 6.164 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.454 -3.121 8.432 0.50 0.00 C ATOM 1104 CB BSER A 38 -12.930 -2.594 8.395 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.718 -3.759 8.383 0.50 0.00 O ATOM 1106 OG BSER A 38 -12.503 -1.699 9.408 0.50 0.00 O ATOM 0 H ASER A 38 -11.710 -1.045 8.797 0.50 0.00 H new ATOM 0 H BSER A 38 -11.044 -1.291 7.472 0.50 0.00 H new ATOM 0 HA ASER A 38 -14.044 -1.583 7.052 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.244 -2.631 6.270 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.759 -3.632 7.766 0.50 0.00 H new ATOM 0 HB2BSER A 38 -13.909 -2.999 8.653 0.50 0.00 H new ATOM 0 HB3ASER A 38 -13.044 -3.196 9.439 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.241 -3.437 8.336 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.620 -4.699 8.643 0.50 0.00 H new ATOM 0 HG BSER A 38 -12.466 -2.170 10.266 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.876 0.292 8.658 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.084 0.011 8.077 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.699 1.094 9.544 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.085 1.056 8.193 0.50 0.00 C ATOM 1121 C AGLY A 39 -14.986 1.456 10.831 0.50 0.00 C ATOM 1122 C BGLY A 39 -15.511 1.294 9.629 0.50 0.00 C ATOM 1123 O AGLY A 39 -13.776 1.672 10.805 0.50 0.00 O ATOM 1124 O BGLY A 39 -14.823 0.885 10.563 0.50 0.00 O ATOM 0 H AGLY A 39 -14.689 0.713 7.748 0.50 0.00 H new ATOM 0 H BGLY A 39 -13.393 -0.005 8.827 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.998 2.007 9.029 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -14.689 1.982 7.776 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.612 0.547 9.780 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -15.958 0.787 7.598 0.50 0.00 H new