USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 25 HIS : no HD1:sc= -1.63 X(o=-0.036,f=0.4) USER MOD Set 1.2: A 39 SER OG : rot -70:sc= 1.59 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -2.74! K(o=-2.7!,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -148:sc= -0.0343 (180deg=-0.534) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.025) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00169 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.167 USER MOD Single : A 26 TYR OH : rot 2:sc= 1.23 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 29 MET CE :methyl -171:sc= 0 (180deg=-0.0515) USER MOD Single : A 38 SER OG : rot -150:sc= -0.512 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -131:sc= 0 (180deg=-1.56!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.88) USER MOD Single : A 66 MET CE :methyl 177:sc= -2.74! (180deg=-2.77!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.476 USER MOD Single : A 70 GLN : amide:sc= -1.95 K(o=-2,f=-0.97) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -78:sc= 1.21 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.00036) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 100:sc= 0.0792 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -11.141 -4.733 -16.685 1.00 23.20 N ATOM 2 CA GLY A -3 -10.700 -6.092 -16.933 1.00 43.12 C ATOM 3 C GLY A -3 -10.068 -6.736 -15.703 1.00 10.33 C ATOM 4 O GLY A -3 -8.839 -6.828 -15.635 1.00 34.23 O ATOM 0 H1 GLY A -3 -11.980 -4.529 -17.264 1.00 23.20 H new ATOM 0 H2 GLY A -3 -11.380 -4.624 -15.679 1.00 23.20 H new ATOM 0 H3 GLY A -3 -10.379 -4.070 -16.934 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -11.550 -6.693 -17.257 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -9.979 -6.093 -17.750 1.00 43.12 H new ATOM 8 N PRO A -2 -10.880 -7.196 -14.700 1.00 43.42 N ATOM 9 CA PRO A -2 -10.362 -7.833 -13.474 1.00 72.12 C ATOM 10 C PRO A -2 -9.894 -9.271 -13.705 1.00 24.33 C ATOM 11 O PRO A -2 -10.571 -10.049 -14.384 1.00 1.42 O ATOM 12 CB PRO A -2 -11.566 -7.818 -12.511 1.00 65.32 C ATOM 13 CG PRO A -2 -12.629 -7.016 -13.192 1.00 23.11 C ATOM 14 CD PRO A -2 -12.353 -7.122 -14.662 1.00 3.14 C ATOM 0 HA PRO A -2 -9.487 -7.305 -13.095 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -11.913 -8.830 -12.305 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -11.294 -7.373 -11.554 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -13.620 -7.401 -12.953 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -12.603 -5.977 -12.865 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -12.816 -8.006 -15.100 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -12.731 -6.259 -15.210 1.00 3.14 H new ATOM 22 N SER A -1 -8.733 -9.606 -13.134 1.00 54.30 N ATOM 23 CA SER A -1 -8.155 -10.945 -13.264 1.00 74.21 C ATOM 24 C SER A -1 -7.799 -11.533 -11.896 1.00 44.31 C ATOM 25 O SER A -1 -8.059 -12.712 -11.638 1.00 24.24 O ATOM 26 CB SER A -1 -6.914 -10.903 -14.163 1.00 35.31 C ATOM 27 OG SER A -1 -5.976 -9.944 -13.702 1.00 34.24 O ATOM 0 H SER A -1 -8.173 -8.963 -12.574 1.00 54.30 H new ATOM 0 HA SER A -1 -8.904 -11.591 -13.722 1.00 74.21 H new ATOM 0 HB2 SER A -1 -6.448 -11.888 -14.189 1.00 35.31 H new ATOM 0 HB3 SER A -1 -7.210 -10.664 -15.184 1.00 35.31 H new ATOM 0 HG SER A -1 -5.194 -9.940 -14.293 1.00 34.24 H new ATOM 33 N MET A 0 -7.204 -10.702 -11.030 1.00 71.24 N ATOM 34 CA MET A 0 -6.807 -11.126 -9.686 1.00 20.33 C ATOM 35 C MET A 0 -7.335 -10.153 -8.625 1.00 73.21 C ATOM 36 O MET A 0 -7.833 -10.581 -7.580 1.00 22.03 O ATOM 37 CB MET A 0 -5.278 -11.237 -9.596 1.00 31.50 C ATOM 38 CG MET A 0 -4.787 -12.303 -8.624 1.00 40.30 C ATOM 39 SD MET A 0 -5.271 -13.970 -9.116 1.00 23.03 S ATOM 40 CE MET A 0 -4.542 -14.937 -7.796 1.00 60.20 C ATOM 0 H MET A 0 -6.987 -9.728 -11.240 1.00 71.24 H new ATOM 0 HA MET A 0 -7.244 -12.106 -9.493 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.881 -11.455 -10.588 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.872 -10.271 -9.295 1.00 31.50 H new ATOM 0 HG2 MET A 0 -3.701 -12.251 -8.552 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.182 -12.093 -7.630 1.00 40.30 H new ATOM 0 HE1 MET A 0 -4.755 -15.994 -7.959 1.00 60.20 H new ATOM 0 HE2 MET A 0 -3.463 -14.782 -7.784 1.00 60.20 H new ATOM 0 HE3 MET A 0 -4.964 -14.625 -6.841 1.00 60.20 H new ATOM 50 N GLY A 1 -7.218 -8.849 -8.908 1.00 60.01 N ATOM 51 CA GLY A 1 -7.679 -7.826 -7.981 1.00 13.55 C ATOM 52 C GLY A 1 -6.582 -6.848 -7.605 1.00 3.14 C ATOM 53 O GLY A 1 -6.796 -5.633 -7.623 1.00 44.31 O ATOM 0 H GLY A 1 -6.809 -8.486 -9.769 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.510 -7.281 -8.430 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.061 -8.303 -7.079 1.00 13.55 H new ATOM 57 N VAL A 2 -5.406 -7.387 -7.266 1.00 52.34 N ATOM 58 CA VAL A 2 -4.254 -6.571 -6.880 1.00 33.20 C ATOM 59 C VAL A 2 -3.048 -6.869 -7.792 1.00 63.10 C ATOM 60 O VAL A 2 -2.606 -8.018 -7.896 1.00 55.34 O ATOM 61 CB VAL A 2 -3.910 -6.759 -5.358 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.490 -8.191 -5.012 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.849 -5.762 -4.895 1.00 64.22 C ATOM 0 H VAL A 2 -5.228 -8.391 -7.252 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.513 -5.521 -7.016 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.834 -6.559 -4.816 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.265 -8.257 -3.947 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.301 -8.877 -5.255 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.604 -8.459 -5.587 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.636 -5.922 -3.838 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.937 -5.906 -5.474 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.216 -4.746 -5.042 1.00 64.22 H new ATOM 73 N GLN A 3 -2.539 -5.820 -8.449 1.00 54.51 N ATOM 74 CA GLN A 3 -1.391 -5.946 -9.352 1.00 12.04 C ATOM 75 C GLN A 3 -0.248 -5.040 -8.898 1.00 65.23 C ATOM 76 O GLN A 3 -0.406 -3.817 -8.827 1.00 65.11 O ATOM 77 CB GLN A 3 -1.784 -5.603 -10.800 1.00 73.14 C ATOM 78 CG GLN A 3 -2.864 -6.505 -11.388 1.00 31.23 C ATOM 79 CD GLN A 3 -4.244 -5.883 -11.307 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.699 -5.229 -12.245 1.00 52.13 O ATOM 81 NE2 GLN A 3 -4.914 -6.072 -10.177 1.00 15.44 N ATOM 0 H GLN A 3 -2.906 -4.872 -8.371 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.057 -6.983 -9.320 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.131 -4.570 -10.835 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.896 -5.662 -11.429 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.626 -6.720 -12.430 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.866 -7.458 -10.858 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.499 -6.621 -9.424 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.843 -5.668 -10.062 1.00 15.44 H new ATOM 90 N VAL A 4 0.898 -5.651 -8.589 1.00 15.11 N ATOM 91 CA VAL A 4 2.078 -4.911 -8.135 1.00 21.25 C ATOM 92 C VAL A 4 3.144 -4.892 -9.236 1.00 0.04 C ATOM 93 O VAL A 4 3.499 -5.938 -9.787 1.00 62.43 O ATOM 94 CB VAL A 4 2.670 -5.508 -6.820 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.713 -4.583 -6.204 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.576 -5.808 -5.800 1.00 13.43 C ATOM 0 H VAL A 4 1.034 -6.660 -8.645 1.00 15.11 H new ATOM 0 HA VAL A 4 1.764 -3.890 -7.918 1.00 21.25 H new ATOM 0 HB VAL A 4 3.157 -6.445 -7.092 1.00 41.33 H new ATOM 0 HG11 VAL A 4 4.103 -5.032 -5.290 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.529 -4.432 -6.911 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.254 -3.622 -5.969 1.00 50.31 H new ATOM 0 HG21 VAL A 4 2.024 -6.222 -4.897 1.00 13.43 H new ATOM 0 HG22 VAL A 4 1.047 -4.888 -5.553 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.874 -6.529 -6.220 1.00 13.43 H new ATOM 106 N GLU A 5 3.642 -3.688 -9.538 1.00 43.11 N ATOM 107 CA GLU A 5 4.665 -3.495 -10.572 1.00 1.02 C ATOM 108 C GLU A 5 5.931 -2.912 -9.956 1.00 74.44 C ATOM 109 O GLU A 5 5.890 -1.845 -9.338 1.00 42.12 O ATOM 110 CB GLU A 5 4.170 -2.556 -11.694 1.00 22.54 C ATOM 111 CG GLU A 5 2.657 -2.494 -11.861 1.00 62.44 C ATOM 112 CD GLU A 5 2.234 -1.638 -13.038 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.121 -2.181 -14.157 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.014 -0.424 -12.841 1.00 20.43 O ATOM 0 H GLU A 5 3.350 -2.826 -9.077 1.00 43.11 H new ATOM 0 HA GLU A 5 4.877 -4.472 -11.007 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.540 -1.550 -11.495 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.612 -2.877 -12.637 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.268 -3.504 -11.993 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.211 -2.097 -10.949 1.00 62.44 H new ATOM 121 N THR A 6 7.056 -3.612 -10.143 1.00 42.11 N ATOM 122 CA THR A 6 8.350 -3.177 -9.605 1.00 74.15 C ATOM 123 C THR A 6 8.955 -2.064 -10.464 1.00 12.12 C ATOM 124 O THR A 6 9.118 -2.217 -11.678 1.00 51.21 O ATOM 125 CB THR A 6 9.343 -4.366 -9.498 1.00 0.24 C ATOM 126 OG1 THR A 6 8.683 -5.501 -8.923 1.00 2.23 O ATOM 127 CG2 THR A 6 10.567 -4.019 -8.646 1.00 50.35 C ATOM 0 H THR A 6 7.096 -4.487 -10.666 1.00 42.11 H new ATOM 0 HA THR A 6 8.172 -2.786 -8.603 1.00 74.15 H new ATOM 0 HB THR A 6 9.685 -4.594 -10.508 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.313 -6.249 -8.859 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.234 -4.880 -8.599 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.094 -3.176 -9.093 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.246 -3.754 -7.639 1.00 50.35 H new ATOM 135 N ILE A 7 9.277 -0.953 -9.803 1.00 11.44 N ATOM 136 CA ILE A 7 9.858 0.215 -10.466 1.00 72.43 C ATOM 137 C ILE A 7 11.338 0.351 -10.100 1.00 45.55 C ATOM 138 O ILE A 7 12.170 0.661 -10.959 1.00 31.04 O ATOM 139 CB ILE A 7 9.101 1.529 -10.104 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.591 1.248 -9.945 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.344 2.597 -11.179 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.809 2.324 -9.207 1.00 14.43 C ATOM 0 H ILE A 7 9.144 -0.837 -8.798 1.00 11.44 H new ATOM 0 HA ILE A 7 9.760 0.060 -11.540 1.00 72.43 H new ATOM 0 HB ILE A 7 9.483 1.905 -9.155 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.155 1.119 -10.936 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.467 0.303 -9.416 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.809 3.509 -10.913 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.411 2.809 -11.247 1.00 0.24 H new ATOM 0 HG23 ILE A 7 8.984 2.233 -12.141 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.760 2.035 -9.147 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.211 2.441 -8.201 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.895 3.269 -9.744 1.00 14.43 H new ATOM 154 N SER A 8 11.648 0.116 -8.821 1.00 5.12 N ATOM 155 CA SER A 8 13.017 0.199 -8.323 1.00 32.42 C ATOM 156 C SER A 8 13.373 -1.062 -7.527 1.00 21.20 C ATOM 157 O SER A 8 12.727 -1.354 -6.517 1.00 31.34 O ATOM 158 CB SER A 8 13.193 1.442 -7.449 1.00 74.32 C ATOM 159 OG SER A 8 14.564 1.706 -7.199 1.00 64.33 O ATOM 0 H SER A 8 10.961 -0.135 -8.110 1.00 5.12 H new ATOM 0 HA SER A 8 13.690 0.275 -9.177 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.739 2.302 -7.941 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.669 1.302 -6.504 1.00 74.32 H new ATOM 0 HG SER A 8 14.646 2.507 -6.640 1.00 64.33 H new ATOM 165 N PRO A 9 14.408 -1.837 -7.970 1.00 51.01 N ATOM 166 CA PRO A 9 14.827 -3.075 -7.282 1.00 23.32 C ATOM 167 C PRO A 9 15.525 -2.820 -5.938 1.00 51.21 C ATOM 168 O PRO A 9 16.448 -2.002 -5.853 1.00 32.12 O ATOM 169 CB PRO A 9 15.789 -3.724 -8.284 1.00 21.35 C ATOM 170 CG PRO A 9 16.332 -2.595 -9.090 1.00 44.13 C ATOM 171 CD PRO A 9 15.231 -1.582 -9.183 1.00 61.42 C ATOM 0 HA PRO A 9 13.971 -3.698 -7.020 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.587 -4.262 -7.772 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.272 -4.446 -8.916 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.216 -2.168 -8.616 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.634 -2.934 -10.081 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.623 -0.565 -9.193 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.648 -1.708 -10.095 1.00 61.42 H new ATOM 179 N GLY A 10 15.066 -3.530 -4.902 1.00 11.52 N ATOM 180 CA GLY A 10 15.636 -3.392 -3.570 1.00 4.35 C ATOM 181 C GLY A 10 16.630 -4.496 -3.257 1.00 44.33 C ATOM 182 O GLY A 10 17.624 -4.653 -3.972 1.00 23.33 O ATOM 0 H GLY A 10 14.303 -4.203 -4.966 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.131 -2.425 -3.487 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.835 -3.405 -2.830 1.00 4.35 H new ATOM 186 N ASP A 11 16.362 -5.262 -2.188 1.00 12.02 N ATOM 187 CA ASP A 11 17.233 -6.374 -1.788 1.00 21.40 C ATOM 188 C ASP A 11 16.897 -7.645 -2.578 1.00 61.45 C ATOM 189 O ASP A 11 17.797 -8.325 -3.079 1.00 53.40 O ATOM 190 CB ASP A 11 17.111 -6.636 -0.283 1.00 15.33 C ATOM 191 CG ASP A 11 17.837 -5.596 0.549 1.00 54.04 C ATOM 192 OD1 ASP A 11 19.085 -5.590 0.534 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.157 -4.791 1.219 1.00 3.25 O ATOM 0 H ASP A 11 15.549 -5.130 -1.586 1.00 12.02 H new ATOM 0 HA ASP A 11 18.262 -6.095 -2.012 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.057 -6.649 -0.004 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.513 -7.623 -0.056 1.00 15.33 H new ATOM 198 N GLY A 12 15.594 -7.950 -2.678 1.00 11.03 N ATOM 199 CA GLY A 12 15.133 -9.125 -3.416 1.00 21.20 C ATOM 200 C GLY A 12 15.129 -10.405 -2.591 1.00 63.51 C ATOM 201 O GLY A 12 14.736 -11.463 -3.091 1.00 45.41 O ATOM 0 H GLY A 12 14.847 -7.398 -2.257 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.125 -8.938 -3.785 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.770 -9.268 -4.289 1.00 21.20 H new ATOM 205 N ARG A 13 15.567 -10.304 -1.330 1.00 44.41 N ATOM 206 CA ARG A 13 15.628 -11.457 -0.423 1.00 43.15 C ATOM 207 C ARG A 13 15.106 -11.107 0.981 1.00 71.41 C ATOM 208 O ARG A 13 15.085 -11.963 1.873 1.00 75.24 O ATOM 209 CB ARG A 13 17.070 -12.016 -0.347 1.00 13.14 C ATOM 210 CG ARG A 13 18.152 -10.978 -0.038 1.00 22.33 C ATOM 211 CD ARG A 13 19.545 -11.576 -0.143 1.00 60.10 C ATOM 212 NE ARG A 13 20.590 -10.593 0.164 1.00 42.52 N ATOM 213 CZ ARG A 13 21.897 -10.875 0.269 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.351 -12.116 0.095 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.755 -9.905 0.551 1.00 61.14 N ATOM 0 H ARG A 13 15.886 -9.430 -0.913 1.00 44.41 H new ATOM 0 HA ARG A 13 14.976 -12.229 -0.831 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.103 -12.791 0.418 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.308 -12.495 -1.297 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.062 -10.140 -0.729 1.00 22.33 H new ATOM 0 HG3 ARG A 13 18.000 -10.581 0.966 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.629 -12.420 0.541 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.698 -11.965 -1.150 1.00 60.10 H new ATOM 0 HE ARG A 13 20.302 -9.625 0.308 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.701 -12.871 -0.122 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.349 -12.310 0.179 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.420 -8.951 0.687 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.750 -10.112 0.632 1.00 61.14 H new ATOM 229 N THR A 14 14.676 -9.852 1.161 1.00 42.14 N ATOM 230 CA THR A 14 14.168 -9.385 2.444 1.00 3.41 C ATOM 231 C THR A 14 12.731 -8.871 2.293 1.00 32.20 C ATOM 232 O THR A 14 12.504 -7.703 1.960 1.00 15.22 O ATOM 233 CB THR A 14 15.083 -8.281 3.033 1.00 43.13 C ATOM 234 OG1 THR A 14 16.460 -8.594 2.781 1.00 71.40 O ATOM 235 CG2 THR A 14 14.878 -8.124 4.536 1.00 52.24 C ATOM 0 H THR A 14 14.672 -9.144 0.427 1.00 42.14 H new ATOM 0 HA THR A 14 14.166 -10.226 3.137 1.00 3.41 H new ATOM 0 HB THR A 14 14.816 -7.343 2.546 1.00 43.13 H new ATOM 0 HG1 THR A 14 17.029 -7.890 3.155 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.536 -7.341 4.913 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.841 -7.853 4.735 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.110 -9.065 5.035 1.00 52.24 H new ATOM 243 N PHE A 15 11.772 -9.769 2.522 1.00 33.20 N ATOM 244 CA PHE A 15 10.352 -9.434 2.423 1.00 11.33 C ATOM 245 C PHE A 15 9.730 -9.268 3.813 1.00 41.44 C ATOM 246 O PHE A 15 10.173 -9.919 4.764 1.00 72.11 O ATOM 247 CB PHE A 15 9.597 -10.520 1.649 1.00 23.11 C ATOM 248 CG PHE A 15 10.030 -10.665 0.215 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.171 -11.384 -0.111 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.296 -10.081 -0.804 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.570 -11.516 -1.425 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.691 -10.211 -2.122 1.00 12.41 C ATOM 253 CZ PHE A 15 10.830 -10.929 -2.433 1.00 50.43 C ATOM 0 H PHE A 15 11.955 -10.739 2.779 1.00 33.20 H new ATOM 0 HA PHE A 15 10.270 -8.488 1.887 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.733 -11.475 2.157 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.531 -10.295 1.675 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.753 -11.846 0.673 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.406 -9.518 -0.566 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.460 -12.078 -1.665 1.00 21.24 H new ATOM 0 HE2 PHE A 15 9.110 -9.752 -2.908 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.141 -11.031 -3.462 1.00 50.43 H new ATOM 263 N PRO A 16 8.688 -8.392 3.959 1.00 13.34 N ATOM 264 CA PRO A 16 8.018 -8.166 5.253 1.00 31.25 C ATOM 265 C PRO A 16 7.269 -9.405 5.756 1.00 31.31 C ATOM 266 O PRO A 16 6.398 -9.946 5.065 1.00 15.10 O ATOM 267 CB PRO A 16 7.045 -7.007 4.985 1.00 64.23 C ATOM 268 CG PRO A 16 6.898 -6.914 3.501 1.00 2.14 C ATOM 269 CD PRO A 16 8.115 -7.548 2.884 1.00 35.24 C ATOM 0 HA PRO A 16 8.741 -7.941 6.037 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.081 -7.191 5.460 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.430 -6.074 5.396 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.992 -7.424 3.173 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.808 -5.873 3.189 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.851 -8.145 2.011 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.828 -6.794 2.551 1.00 35.24 H new HETATM 277 N MLY A 17 7.633 -9.843 6.966 1.00 65.54 N HETATM 278 CA MLY A 17 7.034 -11.025 7.599 1.00 1.40 C HETATM 279 CB MLY A 17 8.056 -11.703 8.526 1.00 3.13 C HETATM 280 CG MLY A 17 9.352 -12.107 7.835 1.00 4.51 C HETATM 281 CD MLY A 17 10.270 -12.872 8.774 1.00 62.24 C HETATM 282 CE MLY A 17 11.700 -12.356 8.697 1.00 72.30 C HETATM 283 NZ MLY A 17 12.613 -13.313 9.344 1.00 51.13 N HETATM 284 CH1 MLY A 17 13.313 -12.652 10.457 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.600 -13.795 8.365 1.00 4.23 C HETATM 286 C MLY A 17 5.776 -10.660 8.386 1.00 62.13 C HETATM 287 O MLY A 17 5.588 -9.502 8.772 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.084 -14.288 7.541 1.00 4.23 H new HETATM 0 HH22 MLY A 17 14.174 -12.951 7.981 1.00 4.23 H new HETATM 0 HH21 MLY A 17 14.274 -14.503 8.847 1.00 4.23 H new HETATM 0 HH13 MLY A 17 13.886 -11.806 10.076 1.00 21.43 H new HETATM 0 HH12 MLY A 17 12.584 -12.298 11.186 1.00 21.43 H new HETATM 0 HH11 MLY A 17 13.988 -13.362 10.935 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.125 -12.723 6.965 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.864 -11.216 7.470 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.988 -12.212 7.656 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.772 -11.384 9.185 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.904 -12.782 9.797 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.250 -13.932 8.521 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.291 -11.026 9.347 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.599 -12.590 8.965 1.00 3.13 H new HETATM 0 HA MLY A 17 6.747 -11.719 6.809 1.00 1.40 H new HETATM 0 H MLY A 17 8.598 -9.587 7.174 1.00 65.54 H new ATOM 304 N ARG A 18 4.923 -11.667 8.619 1.00 75.42 N ATOM 305 CA ARG A 18 3.669 -11.495 9.350 1.00 34.53 C ATOM 306 C ARG A 18 3.913 -11.405 10.864 1.00 50.25 C ATOM 307 O ARG A 18 4.577 -12.269 11.446 1.00 2.04 O ATOM 308 CB ARG A 18 2.740 -12.667 9.014 1.00 61.11 C ATOM 309 CG ARG A 18 1.273 -12.443 9.365 1.00 12.50 C ATOM 310 CD ARG A 18 0.422 -13.625 8.934 1.00 23.10 C ATOM 311 NE ARG A 18 0.111 -13.590 7.500 1.00 72.31 N ATOM 312 CZ ARG A 18 -0.562 -14.545 6.840 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.009 -15.632 7.468 1.00 2.12 N ATOM 314 NH2 ARG A 18 -0.786 -14.408 5.541 1.00 35.44 N ATOM 0 H ARG A 18 5.087 -12.623 8.304 1.00 75.42 H new ATOM 0 HA ARG A 18 3.202 -10.558 9.047 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.815 -12.877 7.947 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.093 -13.554 9.540 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.172 -12.291 10.440 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.914 -11.536 8.879 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.945 -14.552 9.168 1.00 23.10 H new ATOM 0 HD3 ARG A 18 -0.506 -13.630 9.505 1.00 23.10 H new ATOM 0 HE ARG A 18 0.430 -12.781 6.966 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.841 -15.749 8.467 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -1.519 -16.347 6.949 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -0.448 -13.581 5.050 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -1.297 -15.130 5.033 1.00 35.44 H new ATOM 328 N GLY A 19 3.367 -10.350 11.478 1.00 24.02 N ATOM 329 CA GLY A 19 3.520 -10.139 12.912 1.00 64.12 C ATOM 330 C GLY A 19 4.377 -8.929 13.249 1.00 64.12 C ATOM 331 O GLY A 19 4.219 -8.337 14.321 1.00 0.22 O ATOM 0 H GLY A 19 2.818 -9.634 11.002 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.535 -10.016 13.362 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.966 -11.028 13.358 1.00 64.12 H new ATOM 335 N GLN A 20 5.283 -8.565 12.334 1.00 1.30 N ATOM 336 CA GLN A 20 6.177 -7.419 12.525 1.00 31.02 C ATOM 337 C GLN A 20 5.658 -6.191 11.772 1.00 45.43 C ATOM 338 O GLN A 20 4.852 -6.318 10.844 1.00 32.11 O ATOM 339 CB GLN A 20 7.618 -7.759 12.085 1.00 72.14 C ATOM 340 CG GLN A 20 7.722 -8.612 10.821 1.00 0.44 C ATOM 341 CD GLN A 20 8.833 -8.156 9.902 1.00 23.22 C ATOM 342 OE1 GLN A 20 9.971 -8.614 10.006 1.00 53.30 O ATOM 343 NE2 GLN A 20 8.505 -7.245 8.996 1.00 33.54 N ATOM 0 H GLN A 20 5.416 -9.052 11.448 1.00 1.30 H new ATOM 0 HA GLN A 20 6.196 -7.184 13.589 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.162 -6.828 11.923 1.00 72.14 H new ATOM 0 HB3 GLN A 20 8.117 -8.282 12.901 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.891 -9.652 11.102 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.774 -8.577 10.284 1.00 0.44 H new ATOM 0 HE21 GLN A 20 7.548 -6.895 8.948 1.00 33.54 H new ATOM 0 HE22 GLN A 20 9.210 -6.894 8.347 1.00 33.54 H new ATOM 352 N THR A 21 6.130 -5.004 12.180 1.00 41.53 N ATOM 353 CA THR A 21 5.719 -3.739 11.561 1.00 5.30 C ATOM 354 C THR A 21 6.531 -3.449 10.296 1.00 73.13 C ATOM 355 O THR A 21 7.719 -3.776 10.221 1.00 42.40 O ATOM 356 CB THR A 21 5.860 -2.545 12.537 1.00 62.42 C ATOM 357 OG1 THR A 21 5.848 -3.003 13.897 1.00 0.54 O ATOM 358 CG2 THR A 21 4.730 -1.541 12.340 1.00 71.14 C ATOM 0 H THR A 21 6.801 -4.896 12.941 1.00 41.53 H new ATOM 0 HA THR A 21 4.668 -3.854 11.298 1.00 5.30 H new ATOM 0 HB THR A 21 6.811 -2.057 12.324 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.940 -2.237 14.501 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.853 -0.713 13.038 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.754 -1.161 11.318 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.773 -2.030 12.523 1.00 71.14 H new ATOM 366 N CYS A 22 5.867 -2.833 9.313 1.00 42.51 N ATOM 367 CA CYS A 22 6.491 -2.489 8.041 1.00 32.11 C ATOM 368 C CYS A 22 6.438 -0.983 7.809 1.00 1.42 C ATOM 369 O CYS A 22 5.357 -0.392 7.708 1.00 21.41 O ATOM 370 CB CYS A 22 5.797 -3.228 6.891 1.00 52.32 C ATOM 371 SG CYS A 22 6.620 -3.045 5.291 1.00 70.12 S ATOM 0 H CYS A 22 4.886 -2.562 9.380 1.00 42.51 H new ATOM 0 HA CYS A 22 7.536 -2.797 8.075 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.738 -4.288 7.138 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.773 -2.863 6.805 1.00 52.32 H new ATOM 0 HG CYS A 22 5.961 -3.706 4.386 1.00 70.12 H new ATOM 377 N VAL A 23 7.623 -0.372 7.739 1.00 22.12 N ATOM 378 CA VAL A 23 7.755 1.072 7.510 1.00 41.54 C ATOM 379 C VAL A 23 7.858 1.346 6.007 1.00 42.33 C ATOM 380 O VAL A 23 8.861 1.000 5.372 1.00 53.12 O ATOM 381 CB VAL A 23 8.996 1.670 8.239 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.966 3.197 8.227 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.114 1.137 9.665 1.00 4.23 C ATOM 0 H VAL A 23 8.514 -0.859 7.838 1.00 22.12 H new ATOM 0 HA VAL A 23 6.868 1.555 7.920 1.00 41.54 H new ATOM 0 HB VAL A 23 9.881 1.350 7.690 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.845 3.582 8.743 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.965 3.553 7.197 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.066 3.547 8.732 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.990 1.574 10.145 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.220 1.404 10.228 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.217 0.052 9.641 1.00 4.23 H new ATOM 393 N VAL A 24 6.810 1.962 5.449 1.00 14.00 N ATOM 394 CA VAL A 24 6.763 2.272 4.015 1.00 22.54 C ATOM 395 C VAL A 24 5.978 3.557 3.744 1.00 24.45 C ATOM 396 O VAL A 24 5.083 3.925 4.511 1.00 4.04 O ATOM 397 CB VAL A 24 6.150 1.108 3.157 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.041 -0.124 3.173 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.749 0.718 3.617 1.00 42.42 C ATOM 0 H VAL A 24 5.983 2.256 5.968 1.00 14.00 H new ATOM 0 HA VAL A 24 7.802 2.406 3.713 1.00 22.54 H new ATOM 0 HB VAL A 24 6.082 1.493 2.140 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.586 -0.910 2.569 1.00 13.53 H new ATOM 0 HG12 VAL A 24 8.019 0.129 2.763 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.157 -0.476 4.198 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.372 -0.090 2.990 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.786 0.386 4.655 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.086 1.579 3.535 1.00 42.42 H new ATOM 409 N HIS A 25 6.331 4.221 2.645 1.00 54.10 N ATOM 410 CA HIS A 25 5.666 5.447 2.217 1.00 74.10 C ATOM 411 C HIS A 25 4.714 5.123 1.067 1.00 33.22 C ATOM 412 O HIS A 25 5.129 4.541 0.059 1.00 41.11 O ATOM 413 CB HIS A 25 6.714 6.474 1.783 1.00 2.24 C ATOM 414 CG HIS A 25 7.112 7.437 2.860 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.279 8.408 3.369 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.292 7.573 3.524 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.962 9.085 4.302 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.186 8.618 4.433 1.00 4.31 N ATOM 0 H HIS A 25 7.086 3.923 2.027 1.00 54.10 H new ATOM 0 HA HIS A 25 5.092 5.870 3.041 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.602 5.946 1.437 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.326 7.036 0.934 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.171 6.965 3.369 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.560 9.908 4.873 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.908 8.954 5.071 1.00 4.31 H new ATOM 426 N TYR A 26 3.440 5.496 1.225 1.00 62.35 N ATOM 427 CA TYR A 26 2.422 5.214 0.212 1.00 21.44 C ATOM 428 C TYR A 26 1.848 6.485 -0.423 1.00 74.34 C ATOM 429 O TYR A 26 2.044 7.595 0.081 1.00 64.11 O ATOM 430 CB TYR A 26 1.298 4.348 0.823 1.00 4.12 C ATOM 431 CG TYR A 26 0.429 5.038 1.861 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.677 5.787 1.477 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.710 4.930 3.216 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.478 6.409 2.411 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.090 5.551 4.159 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.181 6.288 3.751 1.00 12.10 C ATOM 437 OH TYR A 26 -1.977 6.905 4.689 1.00 1.22 O ATOM 0 H TYR A 26 3.091 5.993 2.044 1.00 62.35 H new ATOM 0 HA TYR A 26 2.908 4.662 -0.593 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.657 3.994 0.016 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.750 3.468 1.280 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.913 5.884 0.428 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.564 4.354 3.539 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.333 6.988 2.094 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.140 5.459 5.210 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.722 7.357 4.240 1.00 1.22 H new ATOM 447 N THR A 27 1.136 6.285 -1.540 1.00 54.44 N ATOM 448 CA THR A 27 0.484 7.363 -2.278 1.00 13.54 C ATOM 449 C THR A 27 -0.781 6.820 -2.953 1.00 42.43 C ATOM 450 O THR A 27 -0.698 6.018 -3.891 1.00 34.01 O ATOM 451 CB THR A 27 1.428 7.987 -3.344 1.00 41.24 C ATOM 452 OG1 THR A 27 2.761 8.093 -2.826 1.00 5.33 O ATOM 453 CG2 THR A 27 0.950 9.371 -3.770 1.00 10.41 C ATOM 0 H THR A 27 0.998 5.364 -1.955 1.00 54.44 H new ATOM 0 HA THR A 27 0.223 8.151 -1.571 1.00 13.54 H new ATOM 0 HB THR A 27 1.418 7.330 -4.214 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.346 8.486 -3.507 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.633 9.778 -4.516 1.00 10.41 H new ATOM 0 HG22 THR A 27 -0.050 9.295 -4.197 1.00 10.41 H new ATOM 0 HG23 THR A 27 0.925 10.030 -2.902 1.00 10.41 H new ATOM 461 N GLY A 28 -1.944 7.257 -2.458 1.00 62.24 N ATOM 462 CA GLY A 28 -3.218 6.803 -3.009 1.00 22.33 C ATOM 463 C GLY A 28 -3.787 7.753 -4.049 1.00 23.41 C ATOM 464 O GLY A 28 -4.106 8.904 -3.739 1.00 74.50 O ATOM 0 H GLY A 28 -2.026 7.917 -1.685 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.083 5.819 -3.459 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.937 6.687 -2.198 1.00 22.33 H new ATOM 468 N MET A 29 -3.917 7.252 -5.281 1.00 72.23 N ATOM 469 CA MET A 29 -4.439 8.031 -6.406 1.00 35.31 C ATOM 470 C MET A 29 -5.597 7.312 -7.081 1.00 35.15 C ATOM 471 O MET A 29 -5.496 6.127 -7.412 1.00 40.34 O ATOM 472 CB MET A 29 -3.328 8.288 -7.431 1.00 63.22 C ATOM 473 CG MET A 29 -2.278 9.291 -6.978 1.00 23.45 C ATOM 474 SD MET A 29 -0.772 9.233 -7.977 1.00 60.11 S ATOM 475 CE MET A 29 0.028 7.754 -7.345 1.00 24.43 C ATOM 0 H MET A 29 -3.663 6.295 -5.526 1.00 72.23 H new ATOM 0 HA MET A 29 -4.802 8.982 -6.015 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.836 7.343 -7.660 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.779 8.645 -8.357 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.699 10.295 -7.023 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.024 9.098 -5.936 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.036 7.683 -7.753 1.00 24.43 H new ATOM 0 HE2 MET A 29 0.080 7.805 -6.257 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.546 6.876 -7.640 1.00 24.43 H new ATOM 485 N LEU A 30 -6.704 8.046 -7.276 1.00 40.05 N ATOM 486 CA LEU A 30 -7.910 7.519 -7.938 1.00 32.04 C ATOM 487 C LEU A 30 -7.616 7.006 -9.356 1.00 0.41 C ATOM 488 O LEU A 30 -6.515 7.206 -9.880 1.00 4.33 O ATOM 489 CB LEU A 30 -8.986 8.615 -8.007 1.00 20.24 C ATOM 490 CG LEU A 30 -9.883 8.737 -6.775 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.493 10.125 -6.692 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.978 7.676 -6.795 1.00 0.13 C ATOM 0 H LEU A 30 -6.789 9.019 -6.981 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.265 6.676 -7.345 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.493 9.573 -8.172 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.616 8.427 -8.876 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.266 8.577 -5.891 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.128 10.191 -5.808 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.698 10.868 -6.624 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.091 10.313 -7.583 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.604 7.782 -5.909 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.590 7.801 -7.688 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.524 6.685 -6.802 1.00 0.13 H new ATOM 504 N GLU A 31 -8.617 6.347 -9.969 1.00 10.33 N ATOM 505 CA GLU A 31 -8.506 5.807 -11.330 1.00 40.43 C ATOM 506 C GLU A 31 -8.146 6.896 -12.352 1.00 13.34 C ATOM 507 O GLU A 31 -7.553 6.606 -13.395 1.00 3.22 O ATOM 508 CB GLU A 31 -9.825 5.144 -11.722 1.00 23.24 C ATOM 509 CG GLU A 31 -9.639 3.887 -12.543 1.00 62.31 C ATOM 510 CD GLU A 31 -10.954 3.244 -12.940 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.442 2.376 -12.186 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.496 3.609 -14.004 1.00 72.00 O ATOM 0 H GLU A 31 -9.523 6.176 -9.532 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.701 5.073 -11.336 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.385 4.901 -10.819 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.427 5.854 -12.288 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -9.071 4.126 -13.442 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -9.047 3.171 -11.973 1.00 62.31 H new ATOM 519 N ASP A 32 -8.514 8.142 -12.030 1.00 34.23 N ATOM 520 CA ASP A 32 -8.231 9.291 -12.887 1.00 2.24 C ATOM 521 C ASP A 32 -6.870 9.920 -12.562 1.00 23.33 C ATOM 522 O ASP A 32 -6.328 10.670 -13.381 1.00 53.30 O ATOM 523 CB ASP A 32 -9.335 10.338 -12.736 1.00 52.51 C ATOM 524 CG ASP A 32 -10.623 9.931 -13.427 1.00 32.21 C ATOM 525 OD1 ASP A 32 -10.786 10.260 -14.620 1.00 41.21 O ATOM 526 OD2 ASP A 32 -11.468 9.284 -12.774 1.00 44.13 O ATOM 0 H ASP A 32 -9.013 8.377 -11.172 1.00 34.23 H new ATOM 0 HA ASP A 32 -8.198 8.937 -13.917 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.532 10.503 -11.677 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.990 11.286 -13.148 1.00 52.51 H new ATOM 531 N GLY A 33 -6.320 9.617 -11.370 1.00 51.42 N ATOM 532 CA GLY A 33 -5.015 10.149 -10.994 1.00 4.22 C ATOM 533 C GLY A 33 -5.093 11.268 -9.976 1.00 24.43 C ATOM 534 O GLY A 33 -4.106 11.979 -9.762 1.00 35.01 O ATOM 0 H GLY A 33 -6.756 9.018 -10.669 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.404 9.342 -10.590 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.509 10.515 -11.887 1.00 4.22 H new HETATM 538 N MLY A 34 -6.264 11.425 -9.346 1.00 33.34 N HETATM 539 CA MLY A 34 -6.473 12.456 -8.343 1.00 10.41 C HETATM 540 CB MLY A 34 -7.889 13.043 -8.511 1.00 31.10 C HETATM 541 CG MLY A 34 -8.621 13.356 -7.220 1.00 32.53 C HETATM 542 CD MLY A 34 -8.900 14.843 -7.072 1.00 45.44 C HETATM 543 CE MLY A 34 -9.720 15.135 -5.824 1.00 24.42 C HETATM 544 NZ MLY A 34 -9.688 16.577 -5.528 1.00 25.53 N HETATM 545 CH1 MLY A 34 -9.112 16.794 -4.192 1.00 63.25 C HETATM 546 CH2 MLY A 34 -11.055 17.120 -5.564 1.00 35.50 C HETATM 547 C MLY A 34 -6.213 11.852 -6.958 1.00 13.44 C HETATM 548 O MLY A 34 -6.923 10.935 -6.530 1.00 42.22 O HETATM 0 HH23 MLY A 34 -11.483 16.964 -6.554 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -11.668 16.612 -4.820 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -11.028 18.187 -5.345 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -9.722 16.285 -3.446 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -8.098 16.396 -4.164 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -9.089 17.862 -3.975 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -9.562 12.806 -7.194 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -8.027 13.012 -6.373 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -10.749 14.808 -5.970 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -9.324 14.573 -4.978 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -7.957 15.388 -7.025 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -9.433 15.204 -7.952 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -7.817 13.958 -9.099 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.489 12.340 -9.088 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.778 13.287 -8.463 1.00 10.41 H new HETATM 0 H MLY A 34 -7.005 11.202 -10.011 1.00 33.34 H new HETATM 565 N MLY A 35 -5.180 12.367 -6.275 1.00 11.11 N HETATM 566 CA MLY A 35 -4.791 11.869 -4.955 1.00 61.33 C HETATM 567 CB MLY A 35 -3.497 12.511 -4.480 1.00 75.25 C HETATM 568 CG MLY A 35 -2.507 11.488 -3.962 1.00 53.41 C HETATM 569 CD MLY A 35 -1.452 12.116 -3.067 1.00 45.12 C HETATM 570 CE MLY A 35 -0.268 12.597 -3.881 1.00 62.43 C HETATM 571 NZ MLY A 35 0.699 13.314 -3.028 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.759 14.729 -3.432 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.034 12.714 -3.174 1.00 55.25 C HETATM 574 C MLY A 35 -5.857 12.072 -3.898 1.00 41.14 C HETATM 575 O MLY A 35 -6.617 13.045 -3.928 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.997 11.667 -2.874 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.352 12.783 -4.214 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.744 13.248 -2.542 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.074 14.797 -4.473 1.00 0.41 H new HETATM 0 HH12 MLY A 35 -0.227 15.181 -3.321 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.474 15.258 -2.801 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -3.041 10.717 -3.407 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -2.021 10.996 -4.804 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.221 11.747 -4.357 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.613 13.254 -4.679 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.886 12.953 -2.519 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.118 11.389 -2.327 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -3.046 13.067 -5.302 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.718 13.231 -3.692 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.649 10.796 -5.084 1.00 61.33 H new HETATM 0 H MLY A 35 -4.600 13.059 -6.750 1.00 11.11 H new ATOM 592 N PHE A 36 -5.887 11.123 -2.967 1.00 13.53 N ATOM 593 CA PHE A 36 -6.829 11.140 -1.864 1.00 33.32 C ATOM 594 C PHE A 36 -6.134 10.829 -0.531 1.00 4.15 C ATOM 595 O PHE A 36 -6.743 10.989 0.532 1.00 61.44 O ATOM 596 CB PHE A 36 -7.987 10.153 -2.132 1.00 44.41 C ATOM 597 CG PHE A 36 -7.584 8.709 -2.338 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.485 8.182 -3.614 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.334 7.881 -1.254 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.144 6.857 -3.808 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.988 6.557 -1.441 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.895 6.043 -2.720 1.00 32.03 C ATOM 0 H PHE A 36 -5.256 10.322 -2.960 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.244 12.145 -1.787 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.682 10.201 -1.294 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.529 10.489 -3.016 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.677 8.814 -4.468 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.411 8.276 -0.252 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.072 6.458 -4.809 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.790 5.924 -0.588 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.628 5.007 -2.869 1.00 32.03 H new ATOM 612 N ASP A 37 -4.855 10.385 -0.587 1.00 71.54 N ATOM 613 CA ASP A 37 -4.108 10.041 0.632 1.00 12.22 C ATOM 614 C ASP A 37 -2.605 9.962 0.370 1.00 5.44 C ATOM 615 O ASP A 37 -2.122 9.072 -0.342 1.00 15.20 O ATOM 616 CB ASP A 37 -4.599 8.709 1.235 1.00 35.30 C ATOM 617 CG ASP A 37 -4.414 8.644 2.741 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.430 8.541 3.460 1.00 70.34 O ATOM 619 OD2 ASP A 37 -3.254 8.702 3.200 1.00 70.24 O ATOM 0 H ASP A 37 -4.331 10.260 -1.453 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.293 10.842 1.348 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.654 8.574 0.996 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.059 7.884 0.771 1.00 35.30 H new ATOM 624 N SER A 38 -1.887 10.920 0.946 1.00 35.14 N ATOM 625 CA SER A 38 -0.427 10.987 0.841 1.00 72.05 C ATOM 626 C SER A 38 0.229 10.891 2.218 1.00 61.33 C ATOM 627 O SER A 38 0.006 11.745 3.084 1.00 53.42 O ATOM 628 CB SER A 38 0.011 12.280 0.155 1.00 1.53 C ATOM 629 OG SER A 38 -0.719 13.396 0.638 1.00 1.21 O ATOM 0 H SER A 38 -2.296 11.673 1.499 1.00 35.14 H new ATOM 0 HA SER A 38 -0.104 10.138 0.238 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.076 12.440 0.323 1.00 1.53 H new ATOM 0 HB3 SER A 38 -0.132 12.189 -0.922 1.00 1.53 H new ATOM 0 HG SER A 38 -0.796 14.068 -0.071 1.00 1.21 H new ATOM 635 N SER A 39 1.028 9.833 2.414 1.00 34.10 N ATOM 636 CA SER A 39 1.742 9.607 3.682 1.00 3.40 C ATOM 637 C SER A 39 3.001 10.481 3.805 1.00 71.04 C ATOM 638 O SER A 39 3.333 10.952 4.896 1.00 14.42 O ATOM 639 CB SER A 39 2.124 8.132 3.815 1.00 71.12 C ATOM 640 OG SER A 39 2.908 7.708 2.714 1.00 65.25 O ATOM 0 H SER A 39 1.198 9.116 1.708 1.00 34.10 H new ATOM 0 HA SER A 39 1.064 9.889 4.488 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.678 7.979 4.741 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.222 7.524 3.879 1.00 71.12 H new ATOM 0 HG SER A 39 2.348 7.667 1.911 1.00 65.25 H new ATOM 646 N ARG A 40 3.688 10.685 2.670 1.00 52.53 N ATOM 647 CA ARG A 40 4.928 11.484 2.611 1.00 1.22 C ATOM 648 C ARG A 40 4.669 13.000 2.665 1.00 23.13 C ATOM 649 O ARG A 40 5.560 13.764 3.046 1.00 22.12 O ATOM 650 CB ARG A 40 5.738 11.126 1.354 1.00 50.10 C ATOM 651 CG ARG A 40 4.941 11.221 0.056 1.00 40.44 C ATOM 652 CD ARG A 40 5.503 12.281 -0.881 1.00 34.30 C ATOM 653 NE ARG A 40 5.202 13.645 -0.427 1.00 13.41 N ATOM 654 CZ ARG A 40 5.518 14.761 -1.100 1.00 54.32 C ATOM 655 NH1 ARG A 40 6.151 14.704 -2.271 1.00 24.54 N ATOM 656 NH2 ARG A 40 5.197 15.944 -0.595 1.00 51.01 N ATOM 0 H ARG A 40 3.403 10.303 1.768 1.00 52.53 H new ATOM 0 HA ARG A 40 5.505 11.231 3.501 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.600 11.789 1.289 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.123 10.112 1.459 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.948 10.253 -0.445 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.901 11.454 0.285 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.583 12.157 -0.960 1.00 34.30 H new ATOM 0 HD3 ARG A 40 5.092 12.134 -1.880 1.00 34.30 H new ATOM 0 HE ARG A 40 4.718 13.751 0.464 1.00 13.41 H new ATOM 0 HH11 ARG A 40 6.404 13.800 -2.671 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.383 15.564 -2.768 1.00 24.54 H new ATOM 0 HH21 ARG A 40 4.712 16.002 0.301 1.00 51.01 H new ATOM 0 HH22 ARG A 40 5.435 16.796 -1.102 1.00 51.01 H new ATOM 670 N ASP A 41 3.450 13.427 2.281 1.00 23.13 N ATOM 671 CA ASP A 41 3.074 14.854 2.297 1.00 52.45 C ATOM 672 C ASP A 41 3.090 15.416 3.722 1.00 31.20 C ATOM 673 O ASP A 41 3.241 16.624 3.924 1.00 42.45 O ATOM 674 CB ASP A 41 1.694 15.055 1.669 1.00 64.34 C ATOM 675 CG ASP A 41 1.764 15.225 0.162 1.00 34.14 C ATOM 676 OD1 ASP A 41 2.196 14.276 -0.526 1.00 51.32 O ATOM 677 OD2 ASP A 41 1.386 16.309 -0.329 1.00 2.32 O ATOM 0 H ASP A 41 2.710 12.805 1.956 1.00 23.13 H new ATOM 0 HA ASP A 41 3.812 15.397 1.707 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.061 14.200 1.907 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.222 15.933 2.110 1.00 64.34 H new ATOM 682 N ARG A 42 2.930 14.513 4.697 1.00 55.15 N ATOM 683 CA ARG A 42 2.960 14.864 6.117 1.00 51.54 C ATOM 684 C ARG A 42 4.379 14.674 6.666 1.00 4.45 C ATOM 685 O ARG A 42 4.645 14.927 7.846 1.00 25.12 O ATOM 686 CB ARG A 42 1.970 13.996 6.910 1.00 71.30 C ATOM 687 CG ARG A 42 0.521 14.151 6.475 1.00 51.14 C ATOM 688 CD ARG A 42 -0.437 13.574 7.504 1.00 2.40 C ATOM 689 NE ARG A 42 -1.839 13.740 7.106 1.00 12.24 N ATOM 690 CZ ARG A 42 -2.893 13.397 7.860 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.731 12.861 9.068 1.00 24.54 N ATOM 692 NH2 ARG A 42 -4.120 13.593 7.397 1.00 13.42 N ATOM 0 H ARG A 42 2.776 13.520 4.521 1.00 55.15 H new ATOM 0 HA ARG A 42 2.667 15.908 6.226 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.259 12.950 6.808 1.00 71.30 H new ATOM 0 HB3 ARG A 42 2.049 14.247 7.968 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.298 15.207 6.321 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.372 13.651 5.518 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.223 12.514 7.644 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.273 14.062 8.465 1.00 2.40 H new ATOM 0 HE ARG A 42 -2.025 14.146 6.189 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -1.792 12.705 9.435 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.546 12.607 9.627 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.257 14.002 6.473 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -4.927 13.334 7.965 1.00 13.42 H new ATOM 706 N ASN A 43 5.294 14.231 5.771 1.00 54.33 N ATOM 707 CA ASN A 43 6.717 13.972 6.091 1.00 4.33 C ATOM 708 C ASN A 43 6.868 12.839 7.122 1.00 11.11 C ATOM 709 O ASN A 43 7.767 12.869 7.974 1.00 34.31 O ATOM 710 CB ASN A 43 7.425 15.257 6.576 1.00 24.02 C ATOM 711 CG ASN A 43 7.565 16.296 5.479 1.00 72.44 C ATOM 712 OD1 ASN A 43 8.556 16.315 4.749 1.00 40.11 O ATOM 713 ND2 ASN A 43 6.571 17.168 5.359 1.00 53.22 N ATOM 0 H ASN A 43 5.062 14.042 4.796 1.00 54.33 H new ATOM 0 HA ASN A 43 7.202 13.648 5.170 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.864 15.685 7.407 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.414 15.001 6.957 1.00 24.02 H new ATOM 0 HD21 ASN A 43 6.610 17.890 4.640 1.00 53.22 H new ATOM 0 HD22 ASN A 43 5.768 17.116 5.986 1.00 53.22 H new HETATM 720 N MLY A 44 5.990 11.823 7.022 1.00 34.54 N HETATM 721 CA MLY A 44 6.021 10.686 7.956 1.00 24.12 C HETATM 722 CB MLY A 44 5.102 10.937 9.155 1.00 25.45 C HETATM 723 CG MLY A 44 5.786 11.666 10.300 1.00 5.24 C HETATM 724 CD MLY A 44 4.777 12.216 11.294 1.00 1.13 C HETATM 725 CE MLY A 44 5.468 12.942 12.441 1.00 34.53 C HETATM 726 NZ MLY A 44 5.693 14.352 12.079 1.00 51.05 N HETATM 727 CH1 MLY A 44 7.134 14.647 12.117 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.992 15.225 13.034 1.00 50.43 C HETATM 729 C MLY A 44 5.625 9.369 7.277 1.00 2.04 C HETATM 730 O MLY A 44 4.566 9.294 6.645 1.00 74.11 O HETATM 0 HH23 MLY A 44 3.924 15.010 13.007 1.00 50.43 H new HETATM 0 HH22 MLY A 44 5.373 15.044 14.039 1.00 50.43 H new HETATM 0 HH21 MLY A 44 5.160 16.268 12.765 1.00 50.43 H new HETATM 0 HH13 MLY A 44 7.516 14.466 13.122 1.00 12.22 H new HETATM 0 HH12 MLY A 44 7.656 14.004 11.409 1.00 12.22 H new HETATM 0 HH11 MLY A 44 7.299 15.691 11.849 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.467 10.985 10.811 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.390 12.483 9.904 1.00 5.24 H new HETATM 0 HE3 MLY A 44 4.857 12.882 13.342 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.419 12.460 12.668 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.098 12.900 10.785 1.00 1.13 H new HETATM 0 HD2 MLY A 44 4.171 11.401 11.689 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.241 11.519 8.827 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.722 9.982 9.518 1.00 25.45 H new HETATM 0 HA MLY A 44 7.051 10.595 8.301 1.00 24.12 H new ATOM 747 N PRO A 45 6.480 8.305 7.395 1.00 62.03 N ATOM 748 CA PRO A 45 6.200 6.981 6.805 1.00 10.31 C ATOM 749 C PRO A 45 5.099 6.219 7.553 1.00 72.54 C ATOM 750 O PRO A 45 4.830 6.498 8.725 1.00 63.34 O ATOM 751 CB PRO A 45 7.539 6.243 6.907 1.00 65.23 C ATOM 752 CG PRO A 45 8.283 6.906 8.017 1.00 52.33 C ATOM 753 CD PRO A 45 7.792 8.326 8.090 1.00 64.14 C ATOM 0 HA PRO A 45 5.830 7.068 5.784 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.387 5.184 7.115 1.00 65.23 H new ATOM 0 HB3 PRO A 45 8.094 6.307 5.971 1.00 65.23 H new ATOM 0 HG2 PRO A 45 8.109 6.389 8.961 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.357 6.878 7.832 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.688 8.657 9.123 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.487 9.011 7.604 1.00 64.14 H new ATOM 761 N PHE A 46 4.476 5.262 6.861 1.00 52.43 N ATOM 762 CA PHE A 46 3.388 4.470 7.433 1.00 12.42 C ATOM 763 C PHE A 46 3.861 3.084 7.884 1.00 54.51 C ATOM 764 O PHE A 46 4.338 2.279 7.077 1.00 73.33 O ATOM 765 CB PHE A 46 2.257 4.344 6.407 1.00 50.23 C ATOM 766 CG PHE A 46 0.916 4.002 7.004 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.081 4.993 7.498 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.496 2.684 7.071 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.147 4.674 8.046 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.730 2.359 7.617 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.553 3.354 8.106 1.00 10.44 C ATOM 0 H PHE A 46 4.709 5.017 5.899 1.00 52.43 H new ATOM 0 HA PHE A 46 3.023 4.986 8.321 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.170 5.284 5.862 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.525 3.577 5.680 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.394 6.026 7.454 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.135 1.901 6.691 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.789 5.455 8.427 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.045 1.327 7.662 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.512 3.102 8.534 1.00 10.44 H new HETATM 781 N MLY A 47 3.725 2.834 9.190 1.00 21.12 N HETATM 782 CA MLY A 47 4.099 1.555 9.800 1.00 63.34 C HETATM 783 CB MLY A 47 4.943 1.796 11.058 1.00 43.31 C HETATM 784 CG MLY A 47 5.905 2.963 10.911 1.00 32.35 C HETATM 785 CD MLY A 47 6.906 3.047 12.036 1.00 72.20 C HETATM 786 CE MLY A 47 8.103 3.860 11.588 1.00 42.23 C HETATM 787 NZ MLY A 47 9.028 4.077 12.712 1.00 35.31 N HETATM 788 CH1 MLY A 47 9.039 5.504 13.075 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.382 3.666 12.319 1.00 74.45 C HETATM 790 C MLY A 47 2.847 0.759 10.156 1.00 63.22 C HETATM 791 O MLY A 47 1.910 1.306 10.746 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.378 2.609 12.051 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.707 4.256 11.462 1.00 74.45 H new HETATM 0 HH21 MLY A 47 11.067 3.827 13.151 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.365 6.095 12.219 1.00 43.20 H new HETATM 0 HH12 MLY A 47 8.035 5.813 13.368 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.725 5.662 13.907 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.437 2.871 9.964 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.337 3.892 10.868 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.619 3.343 10.779 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.771 4.820 11.192 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.447 3.507 12.911 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.222 2.046 12.331 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.281 1.982 11.903 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.508 0.893 11.289 1.00 43.31 H new HETATM 0 HA MLY A 47 4.690 0.984 9.084 1.00 63.34 H new HETATM 0 H MLY A 47 4.030 3.710 9.614 1.00 21.12 H new ATOM 808 N PHE A 48 2.837 -0.534 9.796 1.00 63.04 N ATOM 809 CA PHE A 48 1.689 -1.413 10.067 1.00 23.12 C ATOM 810 C PHE A 48 2.136 -2.866 10.288 1.00 45.43 C ATOM 811 O PHE A 48 3.243 -3.246 9.900 1.00 53.22 O ATOM 812 CB PHE A 48 0.663 -1.332 8.910 1.00 60.34 C ATOM 813 CG PHE A 48 1.154 -1.876 7.588 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.954 -1.112 6.753 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.812 -3.158 7.193 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.402 -1.619 5.547 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.256 -3.669 5.990 1.00 73.33 C ATOM 818 CZ PHE A 48 2.051 -2.899 5.167 1.00 3.21 C ATOM 0 H PHE A 48 3.611 -0.994 9.317 1.00 63.04 H new ATOM 0 HA PHE A 48 1.213 -1.068 10.985 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.235 -1.878 9.200 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.373 -0.290 8.773 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.230 -0.110 7.047 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.190 -3.766 7.834 1.00 64.54 H new ATOM 0 HE1 PHE A 48 3.025 -1.015 4.904 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.981 -4.671 5.694 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.399 -3.297 4.225 1.00 3.21 H new ATOM 828 N MET A 49 1.258 -3.666 10.905 1.00 33.23 N ATOM 829 CA MET A 49 1.539 -5.074 11.170 1.00 71.14 C ATOM 830 C MET A 49 0.749 -5.969 10.221 1.00 22.43 C ATOM 831 O MET A 49 -0.457 -5.779 10.039 1.00 41.24 O ATOM 832 CB MET A 49 1.191 -5.423 12.615 1.00 22.35 C ATOM 833 CG MET A 49 2.394 -5.517 13.530 1.00 60.11 C ATOM 834 SD MET A 49 1.930 -5.606 15.268 1.00 51.55 S ATOM 835 CE MET A 49 3.540 -5.766 16.028 1.00 63.41 C ATOM 0 H MET A 49 0.342 -3.355 11.230 1.00 33.23 H new ATOM 0 HA MET A 49 2.604 -5.243 11.008 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.507 -4.669 13.006 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.659 -6.374 12.631 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.979 -6.399 13.267 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.036 -4.650 13.372 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.527 -6.593 16.738 1.00 63.41 H new ATOM 0 HE2 MET A 49 4.288 -5.960 15.259 1.00 63.41 H new ATOM 0 HE3 MET A 49 3.789 -4.843 16.551 1.00 63.41 H new ATOM 845 N LEU A 50 1.444 -6.944 9.620 1.00 22.40 N ATOM 846 CA LEU A 50 0.829 -7.897 8.688 1.00 23.24 C ATOM 847 C LEU A 50 0.041 -8.973 9.423 1.00 71.40 C ATOM 848 O LEU A 50 0.477 -9.473 10.465 1.00 63.44 O ATOM 849 CB LEU A 50 1.908 -8.572 7.821 1.00 74.22 C ATOM 850 CG LEU A 50 2.143 -8.016 6.401 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.850 -7.902 5.610 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.882 -6.685 6.445 1.00 72.11 C ATOM 0 H LEU A 50 2.442 -7.094 9.765 1.00 22.40 H new ATOM 0 HA LEU A 50 0.143 -7.332 8.056 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.853 -8.519 8.362 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.652 -9.627 7.729 1.00 74.22 H new ATOM 0 HG LEU A 50 2.775 -8.734 5.878 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.064 -7.506 4.617 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.392 -8.887 5.517 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.165 -7.231 6.128 1.00 23.44 H new ATOM 0 HD21 LEU A 50 3.033 -6.319 5.429 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.294 -5.961 7.008 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.849 -6.822 6.929 1.00 72.11 H new ATOM 864 N GLY A 51 -1.124 -9.316 8.865 1.00 35.24 N ATOM 865 CA GLY A 51 -1.986 -10.331 9.457 1.00 71.31 C ATOM 866 C GLY A 51 -2.865 -9.793 10.582 1.00 50.01 C ATOM 867 O GLY A 51 -3.780 -10.485 11.038 1.00 31.34 O ATOM 0 H GLY A 51 -1.487 -8.904 8.006 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.621 -10.756 8.680 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.369 -11.142 9.843 1.00 71.31 H new HETATM 871 N MLY A 52 -2.582 -8.555 11.025 1.00 22.42 N HETATM 872 CA MLY A 52 -3.354 -7.902 12.090 1.00 50.33 C HETATM 873 CB MLY A 52 -2.505 -6.846 12.823 1.00 33.52 C HETATM 874 CG MLY A 52 -1.441 -7.407 13.769 1.00 64.24 C HETATM 875 CD MLY A 52 -2.045 -8.222 14.912 1.00 72.22 C HETATM 876 CE MLY A 52 -1.404 -7.875 16.248 1.00 30.34 C HETATM 877 NZ MLY A 52 -2.045 -8.647 17.326 1.00 33.24 N HETATM 878 CH1 MLY A 52 -2.650 -7.725 18.301 1.00 11.24 C HETATM 879 CH2 MLY A 52 -1.038 -9.479 18.003 1.00 42.22 C HETATM 880 C MLY A 52 -4.606 -7.239 11.520 1.00 12.24 C HETATM 881 O MLY A 52 -5.520 -6.871 12.264 1.00 14.32 O HETATM 0 HH23 MLY A 52 -0.590 -10.165 17.284 1.00 42.22 H new HETATM 0 HH22 MLY A 52 -0.263 -8.840 18.427 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -1.514 -10.050 18.800 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -1.876 -7.085 18.725 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -3.398 -7.109 17.803 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -3.124 -8.298 19.098 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.752 -8.035 13.204 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.857 -6.585 14.182 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.337 -8.094 16.217 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -1.505 -6.807 16.444 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.118 -8.037 14.964 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -1.914 -9.285 14.710 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.013 -6.219 12.080 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.172 -6.200 13.394 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.648 -8.674 12.802 1.00 50.33 H new HETATM 0 H MLY A 52 -1.613 -8.284 10.858 1.00 22.42 H new ATOM 898 N GLN A 53 -4.622 -7.087 10.179 1.00 64.22 N ATOM 899 CA GLN A 53 -5.747 -6.482 9.423 1.00 1.55 C ATOM 900 C GLN A 53 -5.868 -4.966 9.675 1.00 54.20 C ATOM 901 O GLN A 53 -6.952 -4.383 9.545 1.00 41.22 O ATOM 902 CB GLN A 53 -7.088 -7.197 9.716 1.00 51.25 C ATOM 903 CG GLN A 53 -7.104 -8.666 9.312 1.00 51.21 C ATOM 904 CD GLN A 53 -8.505 -9.244 9.268 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.172 -9.207 8.234 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.958 -9.782 10.394 1.00 1.32 N ATOM 0 H GLN A 53 -3.849 -7.382 9.582 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.518 -6.622 8.367 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.304 -7.121 10.782 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.889 -6.677 9.190 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.639 -8.774 8.332 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.501 -9.239 10.016 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.370 -9.791 11.228 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.894 -10.187 10.425 1.00 1.32 H new ATOM 915 N GLU A 54 -4.732 -4.333 10.011 1.00 41.31 N ATOM 916 CA GLU A 54 -4.678 -2.881 10.262 1.00 72.24 C ATOM 917 C GLU A 54 -4.716 -2.098 8.946 1.00 75.25 C ATOM 918 O GLU A 54 -4.945 -0.885 8.937 1.00 34.30 O ATOM 919 CB GLU A 54 -3.403 -2.513 11.031 1.00 53.34 C ATOM 920 CG GLU A 54 -3.379 -3.014 12.464 1.00 11.31 C ATOM 921 CD GLU A 54 -2.137 -2.576 13.216 1.00 20.35 C ATOM 922 OE1 GLU A 54 -2.175 -1.500 13.849 1.00 44.02 O ATOM 923 OE2 GLU A 54 -1.127 -3.309 13.171 1.00 15.22 O ATOM 0 H GLU A 54 -3.834 -4.806 10.116 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.550 -2.616 10.860 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.541 -2.919 10.501 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.293 -1.429 11.034 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.263 -2.649 12.987 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.435 -4.103 12.465 1.00 11.31 H new ATOM 930 N VAL A 55 -4.488 -2.819 7.845 1.00 22.22 N ATOM 931 CA VAL A 55 -4.481 -2.239 6.502 1.00 23.14 C ATOM 932 C VAL A 55 -5.427 -3.018 5.573 1.00 5.11 C ATOM 933 O VAL A 55 -6.095 -3.960 6.012 1.00 74.45 O ATOM 934 CB VAL A 55 -3.032 -2.178 5.915 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.190 -1.171 6.691 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.342 -3.546 5.910 1.00 43.13 C ATOM 0 H VAL A 55 -4.303 -3.822 7.861 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.844 -1.214 6.575 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.122 -1.858 4.877 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.184 -1.138 6.272 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.645 -0.183 6.618 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.138 -1.470 7.738 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.340 -3.447 5.493 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.274 -3.923 6.930 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.920 -4.243 5.303 1.00 43.13 H new ATOM 946 N ILE A 56 -5.480 -2.621 4.293 1.00 52.14 N ATOM 947 CA ILE A 56 -6.351 -3.277 3.304 1.00 1.25 C ATOM 948 C ILE A 56 -5.753 -4.593 2.792 1.00 22.44 C ATOM 949 O ILE A 56 -4.543 -4.817 2.899 1.00 40.42 O ATOM 950 CB ILE A 56 -6.699 -2.342 2.108 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.467 -1.562 1.593 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.809 -1.384 2.529 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.643 -0.964 0.205 1.00 34.03 C ATOM 0 H ILE A 56 -4.930 -1.848 3.917 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.278 -3.507 3.830 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.040 -2.962 1.279 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.239 -0.760 2.295 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.606 -2.231 1.582 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.057 -0.726 1.696 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.692 -1.954 2.817 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.472 -0.786 3.375 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.734 -0.434 -0.081 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.839 -1.761 -0.512 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.482 -0.268 0.212 1.00 34.03 H new ATOM 965 N ARG A 57 -6.620 -5.457 2.234 1.00 73.41 N ATOM 966 CA ARG A 57 -6.214 -6.771 1.705 1.00 3.13 C ATOM 967 C ARG A 57 -5.182 -6.637 0.580 1.00 73.31 C ATOM 968 O ARG A 57 -4.192 -7.374 0.549 1.00 3.15 O ATOM 969 CB ARG A 57 -7.443 -7.538 1.205 1.00 41.00 C ATOM 970 CG ARG A 57 -7.306 -9.048 1.314 1.00 54.31 C ATOM 971 CD ARG A 57 -8.615 -9.747 0.992 1.00 33.13 C ATOM 972 NE ARG A 57 -8.556 -11.186 1.276 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.565 -12.046 1.077 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.734 -11.635 0.589 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.400 -13.328 1.370 1.00 4.55 N ATOM 0 H ARG A 57 -7.617 -5.265 2.137 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.746 -7.326 2.518 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.316 -7.219 1.774 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.627 -7.273 0.164 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.529 -9.395 0.632 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -6.988 -9.314 2.322 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.419 -9.296 1.573 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.858 -9.595 -0.060 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.684 -11.559 1.652 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -10.873 -10.651 0.360 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.490 -12.304 0.444 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.509 -13.655 1.745 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.164 -13.988 1.221 1.00 4.55 H new ATOM 989 N GLY A 58 -5.429 -5.690 -0.337 1.00 75.12 N ATOM 990 CA GLY A 58 -4.516 -5.438 -1.451 1.00 3.21 C ATOM 991 C GLY A 58 -3.129 -4.973 -1.008 1.00 15.14 C ATOM 992 O GLY A 58 -2.166 -5.090 -1.770 1.00 21.04 O ATOM 0 H GLY A 58 -6.253 -5.089 -0.325 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.414 -6.349 -2.040 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -4.952 -4.683 -2.105 1.00 3.21 H new ATOM 996 N TRP A 59 -3.035 -4.446 0.228 1.00 34.52 N ATOM 997 CA TRP A 59 -1.759 -3.986 0.787 1.00 11.53 C ATOM 998 C TRP A 59 -0.980 -5.141 1.407 1.00 15.11 C ATOM 999 O TRP A 59 0.223 -5.256 1.196 1.00 30.32 O ATOM 1000 CB TRP A 59 -1.972 -2.894 1.845 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.006 -1.481 1.303 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.301 -1.081 0.024 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.732 -0.277 2.038 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.233 0.287 -0.073 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.885 0.803 1.146 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.373 -0.005 3.364 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.695 2.125 1.538 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.184 1.307 3.749 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.347 2.357 2.839 1.00 20.34 C ATOM 0 H TRP A 59 -3.831 -4.330 0.855 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.183 -3.570 -0.040 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.909 -3.091 2.366 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.175 -2.965 2.585 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.551 -1.746 -0.789 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.413 0.831 -0.917 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.246 -0.809 4.074 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.818 2.939 0.839 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.906 1.526 4.769 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.194 3.373 3.172 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.683 -6.001 2.162 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.059 -7.157 2.828 1.00 11.50 C ATOM 1022 C GLU A 60 -0.546 -8.183 1.811 1.00 31.21 C ATOM 1023 O GLU A 60 0.513 -8.787 2.008 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.047 -7.837 3.795 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.584 -6.920 4.881 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.256 -7.680 6.007 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -4.417 -8.103 5.827 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -2.623 -7.849 7.069 1.00 23.02 O ATOM 0 H GLU A 60 -2.686 -5.917 2.327 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.209 -6.778 3.396 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.885 -8.233 3.222 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.552 -8.687 4.264 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.765 -6.326 5.287 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.297 -6.222 4.442 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.313 -8.367 0.729 1.00 13.22 N ATOM 1036 CA GLU A 61 -0.956 -9.304 -0.343 1.00 4.04 C ATOM 1037 C GLU A 61 -0.003 -8.666 -1.362 1.00 23.14 C ATOM 1038 O GLU A 61 0.761 -9.374 -2.024 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.219 -9.804 -1.060 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.057 -10.784 -0.243 1.00 33.24 C ATOM 1041 CD GLU A 61 -2.502 -12.198 -0.261 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -2.875 -12.971 -1.169 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -1.695 -12.530 0.632 1.00 21.23 O ATOM 0 H GLU A 61 -2.192 -7.874 0.573 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.442 -10.146 0.120 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.838 -8.946 -1.323 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -1.927 -10.284 -1.994 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -3.112 -10.434 0.788 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -4.075 -10.794 -0.631 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.054 -7.328 -1.473 1.00 2.32 N ATOM 1051 CA GLY A 62 0.793 -6.603 -2.418 1.00 34.53 C ATOM 1052 C GLY A 62 2.160 -6.227 -1.859 1.00 41.44 C ATOM 1053 O GLY A 62 3.177 -6.425 -2.529 1.00 71.54 O ATOM 0 H GLY A 62 -0.672 -6.734 -0.920 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.932 -7.214 -3.310 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.277 -5.695 -2.731 1.00 34.53 H new ATOM 1057 N VAL A 63 2.182 -5.683 -0.629 1.00 13.21 N ATOM 1058 CA VAL A 63 3.433 -5.263 0.038 1.00 21.10 C ATOM 1059 C VAL A 63 4.369 -6.460 0.305 1.00 62.21 C ATOM 1060 O VAL A 63 5.587 -6.298 0.414 1.00 10.30 O ATOM 1061 CB VAL A 63 3.122 -4.493 1.363 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.844 -5.431 2.543 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.246 -3.521 1.699 1.00 1.13 C ATOM 0 H VAL A 63 1.343 -5.522 -0.072 1.00 13.21 H new ATOM 0 HA VAL A 63 3.955 -4.587 -0.640 1.00 21.10 H new ATOM 0 HB VAL A 63 2.206 -3.928 1.190 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.635 -4.841 3.435 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.984 -6.059 2.313 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.716 -6.061 2.721 1.00 73.30 H new ATOM 0 HG21 VAL A 63 4.009 -2.996 2.624 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.178 -4.072 1.823 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.356 -2.799 0.890 1.00 1.13 H new ATOM 1073 N ALA A 64 3.765 -7.648 0.404 1.00 31.45 N ATOM 1074 CA ALA A 64 4.494 -8.897 0.647 1.00 31.03 C ATOM 1075 C ALA A 64 5.214 -9.388 -0.616 1.00 33.41 C ATOM 1076 O ALA A 64 6.008 -10.333 -0.562 1.00 20.51 O ATOM 1077 CB ALA A 64 3.529 -9.958 1.154 1.00 31.20 C ATOM 0 H ALA A 64 2.756 -7.771 0.318 1.00 31.45 H new ATOM 0 HA ALA A 64 5.257 -8.706 1.402 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.071 -10.886 1.335 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.071 -9.619 2.083 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.753 -10.130 0.408 1.00 31.20 H new ATOM 1083 N GLN A 65 4.929 -8.726 -1.746 1.00 10.14 N ATOM 1084 CA GLN A 65 5.533 -9.065 -3.038 1.00 4.44 C ATOM 1085 C GLN A 65 6.809 -8.250 -3.287 1.00 1.34 C ATOM 1086 O GLN A 65 7.568 -8.546 -4.216 1.00 54.10 O ATOM 1087 CB GLN A 65 4.528 -8.816 -4.175 1.00 23.01 C ATOM 1088 CG GLN A 65 3.152 -9.435 -3.935 1.00 41.22 C ATOM 1089 CD GLN A 65 2.180 -9.231 -5.088 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.564 -9.228 -6.261 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.907 -9.052 -4.753 1.00 4.02 N ATOM 0 H GLN A 65 4.276 -7.944 -1.788 1.00 10.14 H new ATOM 0 HA GLN A 65 5.800 -10.121 -3.015 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.412 -7.741 -4.315 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.938 -9.216 -5.102 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.270 -10.504 -3.756 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.723 -9.006 -3.030 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.632 -9.062 -3.771 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.205 -8.905 -5.478 1.00 4.02 H new ATOM 1100 N MET A 66 7.036 -7.228 -2.448 1.00 51.30 N ATOM 1101 CA MET A 66 8.210 -6.359 -2.566 1.00 45.42 C ATOM 1102 C MET A 66 9.223 -6.653 -1.458 1.00 14.24 C ATOM 1103 O MET A 66 8.861 -7.160 -0.392 1.00 42.21 O ATOM 1104 CB MET A 66 7.824 -4.867 -2.525 1.00 54.20 C ATOM 1105 CG MET A 66 6.337 -4.563 -2.356 1.00 71.10 C ATOM 1106 SD MET A 66 5.891 -2.895 -2.898 1.00 71.25 S ATOM 1107 CE MET A 66 7.011 -1.880 -1.929 1.00 23.31 C ATOM 0 H MET A 66 6.415 -6.984 -1.676 1.00 51.30 H new ATOM 0 HA MET A 66 8.663 -6.572 -3.534 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.366 -4.395 -1.706 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.168 -4.398 -3.447 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.756 -5.291 -2.923 1.00 71.10 H new ATOM 0 HG3 MET A 66 6.064 -4.684 -1.308 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.882 -0.833 -2.202 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.793 -2.008 -0.869 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.039 -2.182 -2.127 1.00 23.31 H new ATOM 1117 N SER A 67 10.491 -6.316 -1.723 1.00 4.44 N ATOM 1118 CA SER A 67 11.583 -6.532 -0.769 1.00 50.24 C ATOM 1119 C SER A 67 12.102 -5.195 -0.233 1.00 5.23 C ATOM 1120 O SER A 67 11.787 -4.144 -0.790 1.00 51.25 O ATOM 1121 CB SER A 67 12.720 -7.314 -1.439 1.00 21.11 C ATOM 1122 OG SER A 67 13.092 -6.717 -2.671 1.00 40.45 O ATOM 0 H SER A 67 10.787 -5.888 -2.600 1.00 4.44 H new ATOM 0 HA SER A 67 11.201 -7.113 0.070 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.582 -7.350 -0.773 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.406 -8.344 -1.610 1.00 21.11 H new ATOM 0 HG SER A 67 12.680 -7.210 -3.411 1.00 40.45 H new ATOM 1128 N VAL A 68 12.911 -5.245 0.844 1.00 33.02 N ATOM 1129 CA VAL A 68 13.486 -4.038 1.474 1.00 53.10 C ATOM 1130 C VAL A 68 14.282 -3.201 0.455 1.00 12.43 C ATOM 1131 O VAL A 68 15.217 -3.700 -0.178 1.00 21.20 O ATOM 1132 CB VAL A 68 14.388 -4.411 2.694 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.184 -3.213 3.213 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.547 -4.994 3.825 1.00 13.21 C ATOM 0 H VAL A 68 13.183 -6.116 1.299 1.00 33.02 H new ATOM 0 HA VAL A 68 12.654 -3.434 1.836 1.00 53.10 H new ATOM 0 HB VAL A 68 15.099 -5.159 2.343 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.796 -3.522 4.061 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.828 -2.833 2.420 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.496 -2.428 3.529 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.193 -5.247 4.665 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.808 -4.260 4.144 1.00 13.21 H new ATOM 0 HG23 VAL A 68 13.038 -5.892 3.475 1.00 13.21 H new ATOM 1144 N GLY A 69 13.883 -1.932 0.317 1.00 54.02 N ATOM 1145 CA GLY A 69 14.534 -1.019 -0.614 1.00 71.34 C ATOM 1146 C GLY A 69 13.897 -1.020 -1.998 1.00 5.22 C ATOM 1147 O GLY A 69 14.399 -0.356 -2.910 1.00 23.21 O ATOM 0 H GLY A 69 13.112 -1.519 0.841 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.500 -0.009 -0.206 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.586 -1.291 -0.705 1.00 71.34 H new ATOM 1151 N GLN A 70 12.792 -1.765 -2.151 1.00 55.02 N ATOM 1152 CA GLN A 70 12.088 -1.862 -3.430 1.00 4.10 C ATOM 1153 C GLN A 70 10.919 -0.880 -3.496 1.00 65.14 C ATOM 1154 O GLN A 70 10.217 -0.660 -2.504 1.00 64.15 O ATOM 1155 CB GLN A 70 11.578 -3.293 -3.657 1.00 54.10 C ATOM 1156 CG GLN A 70 11.316 -3.629 -5.121 1.00 53.24 C ATOM 1157 CD GLN A 70 10.587 -4.945 -5.306 1.00 75.44 C ATOM 1158 OE1 GLN A 70 11.203 -6.010 -5.338 1.00 62.23 O ATOM 1159 NE2 GLN A 70 9.269 -4.874 -5.452 1.00 4.25 N ATOM 0 H GLN A 70 12.369 -2.309 -1.399 1.00 55.02 H new ATOM 0 HA GLN A 70 12.797 -1.605 -4.217 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.309 -3.997 -3.258 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.657 -3.434 -3.091 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.730 -2.829 -5.572 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.266 -3.668 -5.655 1.00 53.24 H new ATOM 0 HE21 GLN A 70 8.800 -3.969 -5.418 1.00 4.25 H new ATOM 0 HE22 GLN A 70 8.725 -5.725 -5.598 1.00 4.25 H new ATOM 1168 N ARG A 71 10.733 -0.301 -4.683 1.00 33.42 N ATOM 1169 CA ARG A 71 9.647 0.644 -4.938 1.00 34.40 C ATOM 1170 C ARG A 71 8.745 0.092 -6.048 1.00 60.34 C ATOM 1171 O ARG A 71 9.141 0.042 -7.219 1.00 3.51 O ATOM 1172 CB ARG A 71 10.218 2.021 -5.323 1.00 73.14 C ATOM 1173 CG ARG A 71 9.248 3.183 -5.120 1.00 14.30 C ATOM 1174 CD ARG A 71 8.996 3.924 -6.423 1.00 71.52 C ATOM 1175 NE ARG A 71 7.995 4.985 -6.266 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.935 6.096 -7.016 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.815 6.318 -7.991 1.00 54.01 N ATOM 1178 NH2 ARG A 71 6.984 6.991 -6.784 1.00 42.24 N ATOM 0 H ARG A 71 11.330 -0.474 -5.492 1.00 33.42 H new ATOM 0 HA ARG A 71 9.053 0.771 -4.033 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.117 2.206 -4.734 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.522 1.995 -6.369 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.304 2.807 -4.724 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.653 3.872 -4.379 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.930 4.357 -6.781 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.660 3.218 -7.183 1.00 71.52 H new ATOM 0 HE ARG A 71 7.294 4.870 -5.534 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.551 5.637 -8.178 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.753 7.169 -8.550 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.305 6.832 -6.040 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.932 7.838 -7.350 1.00 42.24 H new ATOM 1192 N ALA A 72 7.537 -0.336 -5.663 1.00 5.10 N ATOM 1193 CA ALA A 72 6.576 -0.904 -6.609 1.00 53.23 C ATOM 1194 C ALA A 72 5.193 -0.267 -6.466 1.00 61.04 C ATOM 1195 O ALA A 72 4.856 0.267 -5.405 1.00 32.53 O ATOM 1196 CB ALA A 72 6.487 -2.414 -6.418 1.00 53.11 C ATOM 0 H ALA A 72 7.203 -0.299 -4.700 1.00 5.10 H new ATOM 0 HA ALA A 72 6.932 -0.688 -7.616 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.769 -2.829 -7.126 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.466 -2.861 -6.590 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.162 -2.634 -5.401 1.00 53.11 H new HETATM 1202 N MLY A 73 4.399 -0.332 -7.546 1.00 72.40 N HETATM 1203 CA MLY A 73 3.047 0.226 -7.559 1.00 10.44 C HETATM 1204 CB MLY A 73 2.826 1.041 -8.836 1.00 42.22 C HETATM 1205 CG MLY A 73 1.986 2.295 -8.629 1.00 32.23 C HETATM 1206 CD MLY A 73 1.802 3.068 -9.930 1.00 43.41 C HETATM 1207 CE MLY A 73 2.744 4.263 -10.011 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.514 4.999 -11.266 1.00 24.53 N HETATM 1209 CH1 MLY A 73 3.749 5.009 -12.065 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.118 6.383 -10.961 1.00 20.10 C HETATM 1211 C MLY A 73 2.012 -0.891 -7.462 1.00 30.22 C HETATM 1212 O MLY A 73 2.049 -1.848 -8.241 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.201 6.378 -10.371 1.00 20.10 H new HETATM 0 HH22 MLY A 73 2.911 6.872 -10.395 1.00 20.10 H new HETATM 0 HH21 MLY A 73 1.948 6.926 -11.891 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.544 5.496 -11.500 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.042 3.985 -12.295 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.577 5.554 -12.993 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.011 2.018 -8.228 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.465 2.936 -7.889 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.583 4.922 -9.158 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.779 3.925 -9.962 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.981 2.405 -10.776 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.770 3.411 -10.007 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.795 1.328 -9.245 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.341 0.409 -9.580 1.00 42.22 H new HETATM 0 HA MLY A 73 2.932 0.884 -6.697 1.00 10.44 H new HETATM 0 H MLY A 73 5.034 -0.149 -8.323 1.00 72.40 H new ATOM 1229 N LEU A 74 1.092 -0.760 -6.502 1.00 74.52 N ATOM 1230 CA LEU A 74 0.046 -1.766 -6.294 1.00 74.33 C ATOM 1231 C LEU A 74 -1.323 -1.226 -6.694 1.00 30.42 C ATOM 1232 O LEU A 74 -1.759 -0.179 -6.205 1.00 24.14 O ATOM 1233 CB LEU A 74 0.000 -2.256 -4.829 1.00 54.31 C ATOM 1234 CG LEU A 74 1.233 -1.960 -3.964 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.059 -0.632 -3.243 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.475 -3.088 -2.967 1.00 45.42 C ATOM 0 H LEU A 74 1.050 0.030 -5.858 1.00 74.52 H new ATOM 0 HA LEU A 74 0.297 -2.614 -6.931 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.869 -1.808 -4.347 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.160 -3.334 -4.836 1.00 54.31 H new ATOM 0 HG LEU A 74 2.106 -1.891 -4.613 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.939 -0.432 -2.632 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.936 0.166 -3.975 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.177 -0.678 -2.604 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.353 -2.858 -2.364 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.606 -3.192 -2.317 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.639 -4.021 -3.506 1.00 45.42 H new ATOM 1248 N THR A 75 -1.988 -1.958 -7.594 1.00 22.43 N ATOM 1249 CA THR A 75 -3.321 -1.603 -8.076 1.00 34.30 C ATOM 1250 C THR A 75 -4.379 -2.319 -7.232 1.00 11.12 C ATOM 1251 O THR A 75 -4.484 -3.550 -7.265 1.00 0.33 O ATOM 1252 CB THR A 75 -3.498 -1.973 -9.573 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.332 -1.589 -10.314 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.722 -1.294 -10.183 1.00 22.41 C ATOM 0 H THR A 75 -1.615 -2.813 -8.007 1.00 22.43 H new ATOM 0 HA THR A 75 -3.443 -0.524 -7.981 1.00 34.30 H new ATOM 0 HB THR A 75 -3.641 -3.052 -9.628 1.00 53.12 H new ATOM 0 HG1 THR A 75 -2.451 -1.827 -11.257 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.811 -1.578 -11.232 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.617 -1.606 -9.645 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.613 -0.212 -10.108 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.148 -1.536 -6.476 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.188 -2.079 -5.610 1.00 1.42 C ATOM 1264 C ILE A 76 -7.567 -1.824 -6.207 1.00 60.35 C ATOM 1265 O ILE A 76 -7.819 -0.774 -6.803 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.112 -1.488 -4.162 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.638 -1.385 -3.662 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.975 -2.297 -3.182 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.875 -2.701 -3.533 1.00 11.52 C ATOM 0 H ILE A 76 -5.068 -0.520 -6.448 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.020 -3.154 -5.539 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.516 -0.476 -4.203 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.089 -0.737 -4.345 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.640 -0.894 -2.689 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.900 -1.861 -2.186 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.014 -2.277 -3.510 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.624 -3.328 -3.154 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.864 -2.502 -3.178 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.388 -3.351 -2.824 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.828 -3.191 -4.505 1.00 11.52 H new ATOM 1281 N SER A 77 -8.441 -2.810 -6.034 1.00 11.11 N ATOM 1282 CA SER A 77 -9.812 -2.749 -6.532 1.00 42.11 C ATOM 1283 C SER A 77 -10.800 -2.531 -5.377 1.00 43.15 C ATOM 1284 O SER A 77 -10.444 -2.762 -4.219 1.00 74.23 O ATOM 1285 CB SER A 77 -10.159 -4.039 -7.297 1.00 53.42 C ATOM 1286 OG SER A 77 -9.345 -5.128 -6.892 1.00 32.12 O ATOM 0 H SER A 77 -8.219 -3.676 -5.543 1.00 11.11 H new ATOM 0 HA SER A 77 -9.892 -1.904 -7.215 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.207 -4.288 -7.132 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.035 -3.871 -8.367 1.00 53.42 H new ATOM 0 HG SER A 77 -8.465 -5.054 -7.317 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.066 -2.082 -5.664 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.088 -1.846 -4.620 1.00 50.11 C ATOM 1294 C PRO A 78 -13.436 -3.107 -3.817 1.00 62.43 C ATOM 1295 O PRO A 78 -14.008 -3.016 -2.733 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.318 -1.358 -5.401 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.079 -1.752 -6.818 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.594 -1.767 -7.010 1.00 55.53 C ATOM 0 HA PRO A 78 -12.727 -1.134 -3.878 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.231 -1.813 -5.017 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.437 -0.278 -5.310 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.507 -2.733 -7.025 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.552 -1.047 -7.502 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.293 -2.516 -7.743 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.227 -0.805 -7.368 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.076 -4.275 -4.364 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.323 -5.563 -3.714 1.00 63.51 C ATOM 1308 C ASP A 79 -12.200 -5.913 -2.730 1.00 41.14 C ATOM 1309 O ASP A 79 -12.417 -6.663 -1.773 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.457 -6.657 -4.770 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.898 -6.901 -5.173 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.562 -7.738 -4.525 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.363 -6.256 -6.136 1.00 45.33 O ATOM 0 H ASP A 79 -12.607 -4.351 -5.267 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.252 -5.489 -3.149 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -12.879 -6.380 -5.651 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.029 -7.583 -4.386 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.006 -5.360 -2.981 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.836 -5.587 -2.121 1.00 53.15 C ATOM 1320 C TYR A 80 -9.582 -4.393 -1.199 1.00 65.53 C ATOM 1321 O TYR A 80 -8.888 -4.526 -0.186 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.583 -5.848 -2.966 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.327 -7.313 -3.256 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.275 -7.985 -2.643 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.136 -8.027 -4.134 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.039 -9.321 -2.896 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -8.905 -9.363 -4.391 1.00 30.14 C ATOM 1328 CZ TYR A 80 -7.856 -10.006 -3.770 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.623 -11.338 -4.024 1.00 73.03 O ATOM 0 H TYR A 80 -10.824 -4.749 -3.777 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.050 -6.464 -1.510 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.677 -5.313 -3.911 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.717 -5.434 -2.450 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.632 -7.453 -1.958 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -9.959 -7.527 -4.623 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.218 -9.828 -2.411 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -9.543 -9.902 -5.075 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.289 -11.671 -4.661 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.147 -3.231 -1.559 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.972 -2.001 -0.784 1.00 1.04 C ATOM 1341 C ALA A 81 -10.971 -1.886 0.379 1.00 31.52 C ATOM 1342 O ALA A 81 -10.563 -1.864 1.541 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.068 -0.789 -1.703 1.00 23.45 C ATOM 0 H ALA A 81 -10.732 -3.121 -2.387 1.00 54.11 H new ATOM 0 HA ALA A 81 -8.979 -2.037 -0.336 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.937 0.122 -1.119 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.290 -0.847 -2.464 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.046 -0.774 -2.184 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.275 -1.822 0.068 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.308 -1.687 1.102 1.00 21.22 C ATOM 1351 C TYR A 82 -14.464 -2.663 0.874 1.00 64.31 C ATOM 1352 O TYR A 82 -14.820 -3.430 1.773 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.833 -0.240 1.146 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.775 0.793 1.490 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.945 1.324 0.506 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.609 1.237 2.795 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.981 2.266 0.817 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.648 2.178 3.113 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.838 2.689 2.121 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.881 3.626 2.435 1.00 54.35 O ATOM 0 H TYR A 82 -12.636 -1.861 -0.885 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.851 -1.931 2.061 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.266 0.008 0.177 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.637 -0.179 1.879 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.056 0.995 -0.517 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.242 0.840 3.575 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.344 2.668 0.043 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.532 2.512 4.134 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.912 3.816 3.396 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.039 -2.623 -0.333 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.151 -3.495 -0.680 1.00 10.01 C ATOM 1372 C GLY A 83 -17.042 -2.883 -1.741 1.00 71.34 C ATOM 1373 O GLY A 83 -16.548 -2.299 -2.709 1.00 23.23 O ATOM 0 H GLY A 83 -14.748 -1.994 -1.081 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.765 -4.450 -1.037 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.741 -3.703 0.213 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.357 -3.020 -1.554 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.338 -2.473 -2.494 1.00 33.53 C ATOM 1379 C ALA A 84 -19.895 -1.131 -2.009 1.00 20.43 C ATOM 1380 O ALA A 84 -20.600 -0.441 -2.753 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.465 -3.471 -2.714 1.00 43.40 C ATOM 0 H ALA A 84 -18.768 -3.507 -0.757 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.831 -2.294 -3.442 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.189 -3.054 -3.414 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.057 -4.396 -3.121 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -20.958 -3.679 -1.764 1.00 43.40 H new ATOM 1387 N THR A 85 -19.567 -0.768 -0.762 1.00 42.23 N ATOM 1388 CA THR A 85 -20.027 0.486 -0.167 1.00 52.23 C ATOM 1389 C THR A 85 -18.901 1.531 -0.172 1.00 53.03 C ATOM 1390 O THR A 85 -19.045 2.596 -0.779 1.00 62.14 O ATOM 1391 CB THR A 85 -20.544 0.264 1.282 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.273 -0.968 1.362 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.449 1.406 1.739 1.00 23.54 C ATOM 0 H THR A 85 -18.981 -1.331 -0.146 1.00 42.23 H new ATOM 0 HA THR A 85 -20.855 0.857 -0.771 1.00 52.23 H new ATOM 0 HB THR A 85 -19.673 0.228 1.936 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.593 -1.100 2.279 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.790 1.215 2.756 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.893 2.343 1.713 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.310 1.476 1.074 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.786 1.212 0.509 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.642 2.121 0.581 1.00 62.01 C ATOM 1403 C GLY A 86 -16.876 3.306 1.509 1.00 41.14 C ATOM 1404 O GLY A 86 -17.858 3.328 2.258 1.00 62.55 O ATOM 0 H GLY A 86 -17.659 0.334 1.013 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.767 1.568 0.922 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.416 2.490 -0.419 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.967 4.286 1.453 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.068 5.492 2.275 1.00 52.22 C ATOM 1410 C HIS A 87 -16.721 6.627 1.463 1.00 53.50 C ATOM 1411 O HIS A 87 -16.211 6.985 0.398 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.679 5.918 2.775 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.708 6.758 4.020 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.291 6.313 5.255 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.110 8.044 4.202 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.449 7.316 6.129 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.942 8.389 5.540 1.00 2.31 N ATOM 0 H HIS A 87 -15.150 4.265 0.843 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.692 5.277 3.142 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.083 5.025 2.965 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.175 6.475 1.985 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.498 8.694 3.432 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.205 7.254 7.179 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.156 9.286 5.975 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.853 7.225 1.951 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.552 8.301 1.219 1.00 44.10 C ATOM 1427 C PRO A 88 -17.761 9.615 1.153 1.00 24.12 C ATOM 1428 O PRO A 88 -17.347 10.156 2.185 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.857 8.489 2.006 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.570 7.988 3.381 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.536 6.904 3.233 1.00 31.53 C ATOM 0 HA PRO A 88 -18.702 8.030 0.174 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.156 9.537 2.025 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.675 7.932 1.548 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.201 8.792 4.018 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.475 7.600 3.849 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.836 6.904 4.068 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.996 5.916 3.203 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.557 10.105 -0.075 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.832 11.349 -0.285 1.00 34.40 C ATOM 1441 C GLY A 89 -15.442 11.144 -0.861 1.00 12.22 C ATOM 1442 O GLY A 89 -15.067 11.818 -1.826 1.00 23.13 O ATOM 0 H GLY A 89 -17.885 9.657 -0.931 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.406 11.987 -0.957 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.750 11.878 0.664 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.681 10.216 -0.271 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.312 9.935 -0.717 1.00 12.54 C ATOM 1448 C ILE A 90 -13.252 8.679 -1.600 1.00 61.23 C ATOM 1449 O ILE A 90 -12.693 8.722 -2.700 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.328 9.776 0.484 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.615 10.828 1.567 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.874 9.898 0.012 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.391 10.329 2.978 1.00 60.20 C ATOM 0 H ILE A 90 -14.990 9.647 0.517 1.00 11.03 H new ATOM 0 HA ILE A 90 -13.000 10.796 -1.307 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.478 8.784 0.911 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.980 11.697 1.394 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.648 11.163 1.470 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.204 9.784 0.864 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.663 9.120 -0.722 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.720 10.877 -0.443 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.614 11.127 3.686 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -13.045 9.479 3.172 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.352 10.021 3.094 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.828 7.572 -1.113 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.812 6.303 -1.845 1.00 30.21 C ATOM 1467 C ILE A 91 -15.229 5.921 -2.334 1.00 51.24 C ATOM 1468 O ILE A 91 -16.024 5.376 -1.561 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.212 5.142 -0.978 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.912 5.571 -0.237 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.963 3.883 -1.820 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.773 6.089 -1.117 1.00 2.32 C ATOM 0 H ILE A 91 -14.310 7.532 -0.215 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.170 6.446 -2.714 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.958 4.905 -0.219 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.169 6.348 0.484 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.544 4.717 0.332 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.547 3.099 -1.188 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.904 3.541 -2.250 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.261 4.114 -2.621 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.922 6.357 -0.491 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.475 5.312 -1.821 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.109 6.968 -1.667 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.568 6.201 -3.629 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.888 5.856 -4.195 1.00 52.13 C ATOM 1486 C PRO A 92 -17.060 4.336 -4.426 1.00 22.44 C ATOM 1487 O PRO A 92 -16.069 3.599 -4.394 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.914 6.619 -5.527 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.487 6.780 -5.912 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.714 6.896 -4.626 1.00 13.45 C ATOM 0 HA PRO A 92 -17.702 6.124 -3.521 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.467 6.066 -6.287 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.404 7.587 -5.417 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.143 5.927 -6.497 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.349 7.667 -6.530 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.733 6.428 -4.706 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.549 7.938 -4.352 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.315 3.843 -4.662 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.576 2.406 -4.886 1.00 52.41 C ATOM 1500 C PRO A 93 -18.149 1.925 -6.279 1.00 70.11 C ATOM 1501 O PRO A 93 -18.277 2.659 -7.262 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.097 2.297 -4.721 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.630 3.638 -5.100 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.569 4.640 -4.719 1.00 73.21 C ATOM 0 HA PRO A 93 -18.006 1.782 -4.197 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.507 1.515 -5.360 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.364 2.043 -3.695 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.842 3.684 -6.168 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.565 3.846 -4.580 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.497 5.442 -5.453 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.788 5.106 -3.758 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.639 0.675 -6.345 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.180 0.041 -7.607 1.00 45.34 C ATOM 1514 C HIS A 94 -16.094 0.884 -8.311 1.00 60.20 C ATOM 1515 O HIS A 94 -16.091 1.029 -9.541 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.369 -0.226 -8.558 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.420 -1.126 -7.978 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.337 -2.501 -7.972 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.594 -0.819 -7.369 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.439 -2.976 -7.374 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.233 -1.996 -6.989 1.00 70.34 N ATOM 0 H HIS A 94 -17.533 0.075 -5.527 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.731 -0.916 -7.342 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.827 0.726 -8.827 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.992 -0.670 -9.479 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.972 0.179 -7.205 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.649 -4.025 -7.227 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.130 -2.083 -6.511 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.162 1.419 -7.511 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.079 2.254 -8.023 1.00 71.05 C ATOM 1531 C ALA A 95 -12.712 1.693 -7.657 1.00 4.34 C ATOM 1532 O ALA A 95 -12.458 1.327 -6.506 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.225 3.677 -7.503 1.00 13.05 C ATOM 0 H ALA A 95 -15.141 1.284 -6.500 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.149 2.260 -9.111 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.412 4.291 -7.891 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.179 4.088 -7.832 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.188 3.672 -6.414 1.00 13.05 H new ATOM 1539 N THR A 96 -11.843 1.637 -8.669 1.00 34.22 N ATOM 1540 CA THR A 96 -10.470 1.139 -8.530 1.00 13.14 C ATOM 1541 C THR A 96 -9.542 2.235 -7.985 1.00 22.22 C ATOM 1542 O THR A 96 -9.650 3.402 -8.374 1.00 73.11 O ATOM 1543 CB THR A 96 -9.943 0.629 -9.896 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.941 -0.181 -10.531 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.662 -0.191 -9.747 1.00 64.35 C ATOM 0 H THR A 96 -12.073 1.938 -9.616 1.00 34.22 H new ATOM 0 HA THR A 96 -10.479 0.312 -7.820 1.00 13.14 H new ATOM 0 HB THR A 96 -9.719 1.506 -10.504 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.408 0.348 -11.211 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.329 -0.528 -10.729 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.886 0.425 -9.292 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.856 -1.056 -9.113 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.639 1.833 -7.086 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.687 2.751 -6.462 1.00 52.44 C ATOM 1555 C LEU A 97 -6.249 2.349 -6.787 1.00 25.12 C ATOM 1556 O LEU A 97 -5.963 1.171 -7.021 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.888 2.764 -4.938 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.316 3.068 -4.457 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.598 2.347 -3.152 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.536 4.564 -4.295 1.00 45.25 C ATOM 0 H LEU A 97 -8.549 0.867 -6.773 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.867 3.749 -6.860 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.590 1.793 -4.542 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.214 3.504 -4.507 1.00 65.44 H new ATOM 0 HG LEU A 97 -10.011 2.707 -5.216 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.613 2.572 -2.824 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.495 1.272 -3.300 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.889 2.678 -2.393 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.555 4.747 -3.954 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.832 4.958 -3.562 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.379 5.061 -5.253 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.355 3.342 -6.796 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.933 3.120 -7.084 1.00 60.04 C ATOM 1574 C VAL A 98 -3.092 3.568 -5.884 1.00 55.00 C ATOM 1575 O VAL A 98 -3.295 4.660 -5.353 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.472 3.883 -8.369 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -2.044 3.510 -8.768 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.419 3.621 -9.538 1.00 72.32 C ATOM 0 H VAL A 98 -5.593 4.315 -6.606 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.790 2.055 -7.264 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.494 4.946 -8.128 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.761 4.061 -9.665 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.362 3.763 -7.956 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.990 2.440 -8.967 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -4.072 4.165 -10.416 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.440 2.553 -9.757 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.422 3.957 -9.276 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.158 2.710 -5.467 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.279 3.006 -4.334 1.00 43.43 C ATOM 1590 C PHE A 99 0.172 2.693 -4.679 1.00 54.24 C ATOM 1591 O PHE A 99 0.470 1.628 -5.225 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.693 2.197 -3.101 1.00 34.44 C ATOM 1593 CG PHE A 99 -2.997 2.620 -2.490 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.179 2.021 -2.886 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -3.040 3.603 -1.515 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.383 2.392 -2.323 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.242 3.981 -0.948 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.416 3.374 -1.353 1.00 42.42 C ATOM 0 H PHE A 99 -1.991 1.801 -5.899 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.372 4.069 -4.112 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.760 1.145 -3.378 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.909 2.279 -2.348 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.159 1.253 -3.645 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.125 4.079 -1.195 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.298 1.915 -2.641 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.264 4.750 -0.190 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.357 3.667 -0.912 1.00 42.42 H new ATOM 1608 N ASP A 100 1.064 3.634 -4.361 1.00 61.54 N ATOM 1609 CA ASP A 100 2.493 3.469 -4.616 1.00 40.34 C ATOM 1610 C ASP A 100 3.261 3.453 -3.290 1.00 51.50 C ATOM 1611 O ASP A 100 3.459 4.501 -2.661 1.00 33.42 O ATOM 1612 CB ASP A 100 3.002 4.592 -5.537 1.00 33.13 C ATOM 1613 CG ASP A 100 4.326 4.258 -6.206 1.00 31.24 C ATOM 1614 OD1 ASP A 100 5.375 4.392 -5.543 1.00 54.54 O ATOM 1615 OD2 ASP A 100 4.311 3.865 -7.391 1.00 62.02 O ATOM 0 H ASP A 100 0.818 4.522 -3.924 1.00 61.54 H new ATOM 0 HA ASP A 100 2.660 2.517 -5.121 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.254 4.792 -6.304 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.116 5.507 -4.956 1.00 33.13 H new ATOM 1620 N VAL A 101 3.670 2.253 -2.864 1.00 2.04 N ATOM 1621 CA VAL A 101 4.415 2.093 -1.612 1.00 60.42 C ATOM 1622 C VAL A 101 5.890 1.806 -1.881 1.00 12.12 C ATOM 1623 O VAL A 101 6.248 1.266 -2.932 1.00 50.32 O ATOM 1624 CB VAL A 101 3.814 0.988 -0.680 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.358 1.288 -0.341 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.933 -0.415 -1.279 1.00 41.23 C ATOM 0 H VAL A 101 3.498 1.382 -3.366 1.00 2.04 H new ATOM 0 HA VAL A 101 4.325 3.043 -1.085 1.00 60.42 H new ATOM 0 HB VAL A 101 4.405 1.005 0.236 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.966 0.504 0.307 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.294 2.248 0.171 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.771 1.326 -1.259 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.501 -1.142 -0.591 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.399 -0.452 -2.229 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.984 -0.652 -1.444 1.00 41.23 H new ATOM 1636 N GLU A 102 6.730 2.174 -0.916 1.00 33.11 N ATOM 1637 CA GLU A 102 8.174 1.958 -1.016 1.00 1.22 C ATOM 1638 C GLU A 102 8.700 1.288 0.250 1.00 51.22 C ATOM 1639 O GLU A 102 8.494 1.791 1.358 1.00 12.21 O ATOM 1640 CB GLU A 102 8.924 3.282 -1.294 1.00 41.11 C ATOM 1641 CG GLU A 102 8.587 4.436 -0.349 1.00 34.12 C ATOM 1642 CD GLU A 102 9.363 5.699 -0.671 1.00 72.23 C ATOM 1643 OE1 GLU A 102 8.863 6.513 -1.476 1.00 62.13 O ATOM 1644 OE2 GLU A 102 10.469 5.873 -0.119 1.00 41.33 O ATOM 0 H GLU A 102 6.434 2.626 -0.051 1.00 33.11 H new ATOM 0 HA GLU A 102 8.359 1.294 -1.861 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.996 3.091 -1.240 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.707 3.595 -2.315 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.519 4.646 -0.405 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.800 4.135 0.677 1.00 34.12 H new ATOM 1651 N LEU A 103 9.394 0.158 0.066 1.00 24.24 N ATOM 1652 CA LEU A 103 9.963 -0.617 1.175 1.00 4.34 C ATOM 1653 C LEU A 103 11.184 0.109 1.765 1.00 3.51 C ATOM 1654 O LEU A 103 12.272 0.096 1.178 1.00 64.00 O ATOM 1655 CB LEU A 103 10.367 -2.019 0.661 1.00 3.14 C ATOM 1656 CG LEU A 103 9.918 -3.267 1.469 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.363 -3.218 2.928 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.412 -3.481 1.378 1.00 21.32 C ATOM 0 H LEU A 103 9.576 -0.244 -0.854 1.00 24.24 H new ATOM 0 HA LEU A 103 9.217 -0.722 1.963 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.979 -2.124 -0.352 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.454 -2.045 0.590 1.00 3.14 H new ATOM 0 HG LEU A 103 10.418 -4.119 1.008 1.00 43.24 H new ATOM 0 HD11 LEU A 103 10.021 -4.116 3.443 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.451 -3.165 2.975 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.936 -2.338 3.409 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.134 -4.363 1.955 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.896 -2.608 1.778 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.127 -3.625 0.336 1.00 21.32 H new ATOM 1670 N LEU A 104 10.981 0.767 2.914 1.00 4.14 N ATOM 1671 CA LEU A 104 12.047 1.517 3.582 1.00 44.13 C ATOM 1672 C LEU A 104 12.812 0.635 4.573 1.00 0.54 C ATOM 1673 O LEU A 104 14.029 0.468 4.445 1.00 14.41 O ATOM 1674 CB LEU A 104 11.459 2.754 4.292 1.00 71.51 C ATOM 1675 CG LEU A 104 10.521 3.627 3.437 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.549 4.399 4.315 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.319 4.585 2.563 1.00 62.23 C ATOM 0 H LEU A 104 10.084 0.794 3.400 1.00 4.14 H new ATOM 0 HA LEU A 104 12.756 1.850 2.824 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.912 2.419 5.173 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.283 3.374 4.645 1.00 71.51 H new ATOM 0 HG LEU A 104 9.948 2.965 2.788 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.897 5.008 3.688 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.946 3.699 4.893 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.106 5.045 4.994 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.635 5.191 1.969 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.924 5.235 3.195 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.970 4.016 1.899 1.00 62.23 H new HETATM 1689 N MLY A 105 12.091 0.075 5.561 1.00 1.45 N HETATM 1690 CA MLY A 105 12.688 -0.797 6.587 1.00 43.20 C HETATM 1691 CB MLY A 105 13.535 0.025 7.596 1.00 74.32 C HETATM 1692 CG MLY A 105 12.761 1.070 8.400 1.00 22.12 C HETATM 1693 CD MLY A 105 13.692 2.010 9.158 1.00 71.52 C HETATM 1694 CE MLY A 105 13.680 1.721 10.652 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.616 2.623 11.345 1.00 24.33 N HETATM 1696 CH1 MLY A 105 15.650 1.830 12.029 1.00 41.55 C HETATM 1697 CH2 MLY A 105 13.884 3.427 12.336 1.00 22.51 C HETATM 1698 C MLY A 105 11.602 -1.616 7.306 1.00 74.02 C HETATM 1699 O MLY A 105 10.405 -1.407 7.081 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.119 4.017 11.832 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.412 2.767 13.064 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.578 4.094 12.848 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.179 1.168 12.756 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.196 1.235 11.297 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.342 2.499 12.541 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.129 1.650 7.728 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.099 0.568 9.106 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.673 1.853 11.049 1.00 2.14 H new HETATM 0 HE2 MLY A 105 13.960 0.683 10.833 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.707 1.906 8.774 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.389 3.043 8.984 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.011 -0.665 8.292 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.333 0.528 7.050 1.00 74.32 H new HETATM 0 HA MLY A 105 13.359 -1.496 6.088 1.00 43.20 H new ATOM 1716 N LEU A 106 12.038 -2.540 8.168 1.00 51.44 N ATOM 1717 CA LEU A 106 11.122 -3.395 8.927 1.00 50.34 C ATOM 1718 C LEU A 106 11.428 -3.321 10.419 1.00 15.14 C ATOM 1719 O LEU A 106 12.593 -3.207 10.813 1.00 24.35 O ATOM 1720 CB LEU A 106 11.213 -4.857 8.452 1.00 64.41 C ATOM 1721 CG LEU A 106 11.084 -5.087 6.936 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.690 -6.427 6.551 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.627 -5.021 6.492 1.00 3.23 C ATOM 0 H LEU A 106 13.025 -2.715 8.358 1.00 51.44 H new ATOM 0 HA LEU A 106 10.109 -3.032 8.753 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.169 -5.265 8.781 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.433 -5.430 8.953 1.00 64.41 H new ATOM 0 HG LEU A 106 11.630 -4.292 6.427 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.591 -6.576 5.476 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.745 -6.441 6.824 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.169 -7.227 7.077 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.567 -5.187 5.416 1.00 3.23 H new ATOM 0 HD22 LEU A 106 9.053 -5.789 7.011 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.218 -4.039 6.731 1.00 3.23 H new ATOM 1735 N GLU A 107 10.374 -3.386 11.239 1.00 12.24 N ATOM 1736 CA GLU A 107 10.519 -3.328 12.695 1.00 25.05 C ATOM 1737 C GLU A 107 9.811 -4.505 13.357 1.00 14.04 C ATOM 1738 O GLU A 107 10.219 -4.969 14.422 1.00 15.01 O ATOM 1739 CB GLU A 107 9.962 -2.010 13.248 1.00 65.53 C ATOM 1740 CG GLU A 107 10.751 -0.776 12.834 1.00 41.44 C ATOM 1741 CD GLU A 107 10.320 0.470 13.584 1.00 62.30 C ATOM 1742 OE1 GLU A 107 9.233 1.003 13.275 1.00 0.45 O ATOM 1743 OE2 GLU A 107 11.069 0.912 14.480 1.00 25.40 O ATOM 0 H GLU A 107 9.410 -3.479 10.917 1.00 12.24 H new ATOM 0 HA GLU A 107 11.583 -3.383 12.924 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.930 -1.896 12.915 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.941 -2.066 14.336 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.812 -0.952 13.009 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.627 -0.612 11.763 1.00 41.44 H new TER 1750 GLU A 107