USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ 175:sc= -1.48! (180deg=-1.79!) USER MOD Set 1.2: A 64 TYR OH : rot -135:sc= -0.174 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0662 (180deg=-0.392) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0195 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.93 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 17 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 SER OG : rot 46:sc= 0.326 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 49 GLN : amide:sc= -0.849 K(o=-0.85,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 105:sc= -2.56! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 72 SER OG : rot 131:sc= -1.02 USER MOD Single : A 78 SER OG : rot 38:sc= -0.808 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.990 7.108 11.018 1.00 40.33 N ATOM 2 CA MET A 1 -5.540 6.723 9.648 1.00 34.22 C ATOM 3 C MET A 1 -4.366 5.716 9.729 1.00 20.31 C ATOM 4 O MET A 1 -3.515 5.836 10.611 1.00 15.40 O ATOM 5 CB MET A 1 -5.139 8.010 8.871 1.00 23.03 C ATOM 6 CG MET A 1 -4.750 7.802 7.404 1.00 14.33 C ATOM 7 SD MET A 1 -4.465 9.352 6.519 1.00 4.34 S ATOM 8 CE MET A 1 -6.087 10.116 6.515 1.00 12.21 C ATOM 0 H1 MET A 1 -6.110 8.140 11.067 1.00 40.33 H new ATOM 0 H2 MET A 1 -6.896 6.644 11.229 1.00 40.33 H new ATOM 0 H3 MET A 1 -5.278 6.809 11.714 1.00 40.33 H new ATOM 0 HA MET A 1 -6.351 6.229 9.113 1.00 34.22 H new ATOM 0 HB2 MET A 1 -5.972 8.712 8.912 1.00 23.03 H new ATOM 0 HB3 MET A 1 -4.302 8.479 9.388 1.00 23.03 H new ATOM 0 HG2 MET A 1 -3.848 7.192 7.357 1.00 14.33 H new ATOM 0 HG3 MET A 1 -5.539 7.243 6.901 1.00 14.33 H new ATOM 0 HE1 MET A 1 -6.122 10.891 5.749 1.00 12.21 H new ATOM 0 HE2 MET A 1 -6.844 9.361 6.303 1.00 12.21 H new ATOM 0 HE3 MET A 1 -6.282 10.561 7.491 1.00 12.21 H new ATOM 18 N THR A 2 -4.335 4.713 8.816 1.00 51.35 N ATOM 19 CA THR A 2 -3.242 3.701 8.763 1.00 61.33 C ATOM 20 C THR A 2 -1.879 4.360 8.391 1.00 3.55 C ATOM 21 O THR A 2 -1.653 4.743 7.244 1.00 71.20 O ATOM 22 CB THR A 2 -3.580 2.538 7.755 1.00 0.34 C ATOM 23 OG1 THR A 2 -4.200 3.070 6.584 1.00 45.45 O ATOM 24 CG2 THR A 2 -4.497 1.452 8.342 1.00 62.54 C ATOM 0 H THR A 2 -5.054 4.581 8.104 1.00 51.35 H new ATOM 0 HA THR A 2 -3.155 3.271 9.761 1.00 61.33 H new ATOM 0 HB THR A 2 -2.626 2.065 7.520 1.00 0.34 H new ATOM 0 HG1 THR A 2 -3.945 4.010 6.477 1.00 45.45 H new ATOM 0 HG21 THR A 2 -4.684 0.687 7.588 1.00 62.54 H new ATOM 0 HG22 THR A 2 -4.015 0.998 9.208 1.00 62.54 H new ATOM 0 HG23 THR A 2 -5.443 1.900 8.646 1.00 62.54 H new ATOM 32 N ARG A 3 -0.999 4.511 9.397 1.00 4.03 N ATOM 33 CA ARG A 3 0.347 5.128 9.250 1.00 4.45 C ATOM 34 C ARG A 3 1.456 4.049 9.338 1.00 2.34 C ATOM 35 O ARG A 3 1.691 3.484 10.413 1.00 15.50 O ATOM 36 CB ARG A 3 0.548 6.201 10.360 1.00 50.41 C ATOM 37 CG ARG A 3 -0.415 7.410 10.273 1.00 44.43 C ATOM 38 CD ARG A 3 -0.335 8.322 11.515 1.00 53.41 C ATOM 39 NE ARG A 3 1.034 8.808 11.780 1.00 53.03 N ATOM 40 CZ ARG A 3 1.457 9.325 12.917 1.00 12.44 C ATOM 41 NH1 ARG A 3 0.680 9.420 13.948 1.00 53.43 N ATOM 42 NH2 ARG A 3 2.678 9.729 13.022 1.00 65.12 N ATOM 0 H ARG A 3 -1.198 4.207 10.350 1.00 4.03 H new ATOM 0 HA ARG A 3 0.415 5.603 8.271 1.00 4.45 H new ATOM 0 HB2 ARG A 3 0.425 5.725 11.333 1.00 50.41 H new ATOM 0 HB3 ARG A 3 1.574 6.567 10.311 1.00 50.41 H new ATOM 0 HG2 ARG A 3 -0.181 7.993 9.383 1.00 44.43 H new ATOM 0 HG3 ARG A 3 -1.437 7.048 10.157 1.00 44.43 H new ATOM 0 HD2 ARG A 3 -0.998 9.176 11.377 1.00 53.41 H new ATOM 0 HD3 ARG A 3 -0.697 7.775 12.386 1.00 53.41 H new ATOM 0 HE ARG A 3 1.710 8.738 11.019 1.00 53.03 H new ATOM 0 HH11 ARG A 3 -0.284 9.091 13.892 1.00 53.43 H new ATOM 0 HH12 ARG A 3 1.032 9.824 14.816 1.00 53.43 H new ATOM 0 HH21 ARG A 3 3.312 9.648 12.227 1.00 65.12 H new ATOM 0 HH22 ARG A 3 3.009 10.129 13.900 1.00 65.12 H new ATOM 56 N VAL A 4 2.127 3.756 8.205 1.00 2.11 N ATOM 57 CA VAL A 4 3.215 2.738 8.141 1.00 12.22 C ATOM 58 C VAL A 4 4.529 3.367 7.612 1.00 24.40 C ATOM 59 O VAL A 4 4.579 3.845 6.481 1.00 2.31 O ATOM 60 CB VAL A 4 2.818 1.512 7.224 1.00 20.13 C ATOM 61 CG1 VAL A 4 3.974 0.474 7.108 1.00 43.41 C ATOM 62 CG2 VAL A 4 1.519 0.827 7.719 1.00 61.43 C ATOM 0 H VAL A 4 1.938 4.210 7.311 1.00 2.11 H new ATOM 0 HA VAL A 4 3.369 2.375 9.157 1.00 12.22 H new ATOM 0 HB VAL A 4 2.631 1.914 6.228 1.00 20.13 H new ATOM 0 HG11 VAL A 4 3.659 -0.351 6.470 1.00 43.41 H new ATOM 0 HG12 VAL A 4 4.852 0.954 6.675 1.00 43.41 H new ATOM 0 HG13 VAL A 4 4.221 0.093 8.099 1.00 43.41 H new ATOM 0 HG21 VAL A 4 1.277 -0.011 7.065 1.00 61.43 H new ATOM 0 HG22 VAL A 4 1.664 0.463 8.736 1.00 61.43 H new ATOM 0 HG23 VAL A 4 0.700 1.546 7.705 1.00 61.43 H new ATOM 72 N ARG A 5 5.595 3.361 8.434 1.00 41.22 N ATOM 73 CA ARG A 5 6.938 3.812 7.996 1.00 41.02 C ATOM 74 C ARG A 5 7.726 2.620 7.408 1.00 45.35 C ATOM 75 O ARG A 5 7.739 1.528 7.990 1.00 12.42 O ATOM 76 CB ARG A 5 7.774 4.434 9.159 1.00 32.30 C ATOM 77 CG ARG A 5 7.173 5.674 9.866 1.00 14.34 C ATOM 78 CD ARG A 5 6.078 5.322 10.886 1.00 54.35 C ATOM 79 NE ARG A 5 6.576 4.405 11.927 1.00 3.31 N ATOM 80 CZ ARG A 5 5.835 3.810 12.836 1.00 73.41 C ATOM 81 NH1 ARG A 5 4.563 4.055 12.946 1.00 53.23 N ATOM 82 NH2 ARG A 5 6.384 2.983 13.653 1.00 60.22 N ATOM 0 H ARG A 5 5.557 3.050 9.405 1.00 41.22 H new ATOM 0 HA ARG A 5 6.779 4.584 7.244 1.00 41.02 H new ATOM 0 HB2 ARG A 5 7.938 3.661 9.910 1.00 32.30 H new ATOM 0 HB3 ARG A 5 8.752 4.709 8.765 1.00 32.30 H new ATOM 0 HG2 ARG A 5 7.971 6.217 10.373 1.00 14.34 H new ATOM 0 HG3 ARG A 5 6.758 6.346 9.115 1.00 14.34 H new ATOM 0 HD2 ARG A 5 5.708 6.235 11.352 1.00 54.35 H new ATOM 0 HD3 ARG A 5 5.234 4.863 10.370 1.00 54.35 H new ATOM 0 HE ARG A 5 7.578 4.216 11.944 1.00 3.31 H new ATOM 0 HH11 ARG A 5 4.116 4.723 12.318 1.00 53.23 H new ATOM 0 HH12 ARG A 5 4.012 3.579 13.660 1.00 53.23 H new ATOM 0 HH21 ARG A 5 7.385 2.794 13.592 1.00 60.22 H new ATOM 0 HH22 ARG A 5 5.819 2.516 14.362 1.00 60.22 H new ATOM 96 N SER A 6 8.381 2.839 6.259 1.00 61.02 N ATOM 97 CA SER A 6 9.289 1.839 5.645 1.00 31.33 C ATOM 98 C SER A 6 10.746 2.339 5.697 1.00 74.32 C ATOM 99 O SER A 6 11.005 3.549 5.799 1.00 10.05 O ATOM 100 CB SER A 6 8.872 1.549 4.186 1.00 62.04 C ATOM 101 OG SER A 6 9.726 0.594 3.568 1.00 53.51 O ATOM 0 H SER A 6 8.303 3.705 5.726 1.00 61.02 H new ATOM 0 HA SER A 6 9.216 0.912 6.213 1.00 31.33 H new ATOM 0 HB2 SER A 6 7.846 1.183 4.168 1.00 62.04 H new ATOM 0 HB3 SER A 6 8.890 2.476 3.613 1.00 62.04 H new ATOM 0 HG SER A 6 9.429 0.436 2.648 1.00 53.51 H new ATOM 107 N THR A 7 11.692 1.395 5.631 1.00 43.41 N ATOM 108 CA THR A 7 13.136 1.693 5.657 1.00 32.23 C ATOM 109 C THR A 7 13.664 2.072 4.252 1.00 11.11 C ATOM 110 O THR A 7 13.175 1.544 3.240 1.00 64.30 O ATOM 111 CB THR A 7 13.947 0.494 6.256 1.00 14.23 C ATOM 112 OG1 THR A 7 13.427 -0.756 5.772 1.00 23.43 O ATOM 113 CG2 THR A 7 13.924 0.523 7.790 1.00 74.11 C ATOM 0 H THR A 7 11.481 0.400 5.558 1.00 43.41 H new ATOM 0 HA THR A 7 13.280 2.557 6.306 1.00 32.23 H new ATOM 0 HB THR A 7 14.983 0.593 5.931 1.00 14.23 H new ATOM 0 HG1 THR A 7 13.945 -1.495 6.154 1.00 23.43 H new ATOM 0 HG21 THR A 7 14.495 -0.321 8.178 1.00 74.11 H new ATOM 0 HG22 THR A 7 14.367 1.454 8.143 1.00 74.11 H new ATOM 0 HG23 THR A 7 12.894 0.456 8.140 1.00 74.11 H new ATOM 121 N PRO A 8 14.672 3.005 4.178 1.00 73.01 N ATOM 122 CA PRO A 8 15.187 3.546 2.891 1.00 13.44 C ATOM 123 C PRO A 8 15.888 2.474 2.002 1.00 14.03 C ATOM 124 O PRO A 8 17.003 2.026 2.291 1.00 32.31 O ATOM 125 CB PRO A 8 16.154 4.670 3.358 1.00 51.15 C ATOM 126 CG PRO A 8 16.607 4.240 4.717 1.00 63.03 C ATOM 127 CD PRO A 8 15.391 3.610 5.345 1.00 54.01 C ATOM 0 HA PRO A 8 14.391 3.906 2.238 1.00 13.44 H new ATOM 0 HB2 PRO A 8 16.997 4.777 2.675 1.00 51.15 H new ATOM 0 HB3 PRO A 8 15.650 5.636 3.396 1.00 51.15 H new ATOM 0 HG2 PRO A 8 17.432 3.530 4.653 1.00 63.03 H new ATOM 0 HG3 PRO A 8 16.961 5.088 5.303 1.00 63.03 H new ATOM 0 HD2 PRO A 8 15.665 2.856 6.083 1.00 54.01 H new ATOM 0 HD3 PRO A 8 14.775 4.349 5.858 1.00 54.01 H new ATOM 135 N GLY A 9 15.184 2.063 0.928 1.00 11.54 N ATOM 136 CA GLY A 9 15.695 1.070 -0.035 1.00 41.03 C ATOM 137 C GLY A 9 15.326 -0.373 0.327 1.00 1.40 C ATOM 138 O GLY A 9 15.913 -1.323 -0.213 1.00 0.42 O ATOM 0 H GLY A 9 14.250 2.409 0.706 1.00 11.54 H new ATOM 0 HA2 GLY A 9 15.303 1.300 -1.026 1.00 41.03 H new ATOM 0 HA3 GLY A 9 16.780 1.156 -0.094 1.00 41.03 H new ATOM 142 N GLY A 10 14.346 -0.528 1.238 1.00 54.01 N ATOM 143 CA GLY A 10 13.863 -1.854 1.674 1.00 51.24 C ATOM 144 C GLY A 10 12.574 -2.274 0.960 1.00 64.12 C ATOM 145 O GLY A 10 12.185 -1.662 -0.036 1.00 2.34 O ATOM 0 H GLY A 10 13.870 0.254 1.689 1.00 54.01 H new ATOM 0 HA2 GLY A 10 14.637 -2.598 1.487 1.00 51.24 H new ATOM 0 HA3 GLY A 10 13.690 -1.838 2.750 1.00 51.24 H new ATOM 149 N ASP A 11 11.909 -3.336 1.452 1.00 25.24 N ATOM 150 CA ASP A 11 10.611 -3.796 0.899 1.00 34.04 C ATOM 151 C ASP A 11 9.436 -3.453 1.861 1.00 25.30 C ATOM 152 O ASP A 11 9.413 -3.873 3.025 1.00 5.24 O ATOM 153 CB ASP A 11 10.658 -5.315 0.552 1.00 1.25 C ATOM 154 CG ASP A 11 10.908 -6.243 1.753 1.00 63.20 C ATOM 155 OD1 ASP A 11 11.986 -6.144 2.376 1.00 11.15 O ATOM 156 OD2 ASP A 11 10.045 -7.103 2.058 1.00 63.11 O ATOM 0 H ASP A 11 12.247 -3.897 2.234 1.00 25.24 H new ATOM 0 HA ASP A 11 10.429 -3.258 -0.031 1.00 34.04 H new ATOM 0 HB2 ASP A 11 9.715 -5.596 0.084 1.00 1.25 H new ATOM 0 HB3 ASP A 11 11.442 -5.481 -0.187 1.00 1.25 H new ATOM 161 N LEU A 12 8.487 -2.651 1.357 1.00 72.31 N ATOM 162 CA LEU A 12 7.243 -2.299 2.066 1.00 42.40 C ATOM 163 C LEU A 12 6.247 -3.485 2.033 1.00 14.31 C ATOM 164 O LEU A 12 6.239 -4.257 1.072 1.00 12.34 O ATOM 165 CB LEU A 12 6.604 -1.061 1.375 1.00 11.41 C ATOM 166 CG LEU A 12 5.252 -0.547 1.966 1.00 22.41 C ATOM 167 CD1 LEU A 12 5.431 0.003 3.402 1.00 70.34 C ATOM 168 CD2 LEU A 12 4.596 0.499 1.034 1.00 4.32 C ATOM 0 H LEU A 12 8.560 -2.222 0.434 1.00 72.31 H new ATOM 0 HA LEU A 12 7.474 -2.070 3.106 1.00 42.40 H new ATOM 0 HB2 LEU A 12 7.323 -0.243 1.410 1.00 11.41 H new ATOM 0 HB3 LEU A 12 6.446 -1.302 0.324 1.00 11.41 H new ATOM 0 HG LEU A 12 4.576 -1.400 2.030 1.00 22.41 H new ATOM 0 HD11 LEU A 12 4.470 0.351 3.781 1.00 70.34 H new ATOM 0 HD12 LEU A 12 5.811 -0.787 4.049 1.00 70.34 H new ATOM 0 HD13 LEU A 12 6.138 0.833 3.388 1.00 70.34 H new ATOM 0 HD21 LEU A 12 3.657 0.838 1.472 1.00 4.32 H new ATOM 0 HD22 LEU A 12 5.267 1.349 0.912 1.00 4.32 H new ATOM 0 HD23 LEU A 12 4.401 0.048 0.061 1.00 4.32 H new ATOM 180 N GLU A 13 5.432 -3.626 3.096 1.00 20.45 N ATOM 181 CA GLU A 13 4.283 -4.554 3.112 1.00 50.44 C ATOM 182 C GLU A 13 3.133 -3.938 3.932 1.00 73.23 C ATOM 183 O GLU A 13 3.278 -3.703 5.140 1.00 33.41 O ATOM 184 CB GLU A 13 4.652 -5.951 3.688 1.00 65.54 C ATOM 185 CG GLU A 13 3.468 -6.956 3.674 1.00 14.10 C ATOM 186 CD GLU A 13 3.754 -8.284 4.395 1.00 54.23 C ATOM 187 OE1 GLU A 13 4.077 -8.254 5.600 1.00 22.40 O ATOM 188 OE2 GLU A 13 3.634 -9.364 3.772 1.00 35.33 O ATOM 0 H GLU A 13 5.550 -3.103 3.964 1.00 20.45 H new ATOM 0 HA GLU A 13 3.971 -4.705 2.078 1.00 50.44 H new ATOM 0 HB2 GLU A 13 5.479 -6.367 3.112 1.00 65.54 H new ATOM 0 HB3 GLU A 13 5.006 -5.832 4.712 1.00 65.54 H new ATOM 0 HG2 GLU A 13 2.601 -6.484 4.137 1.00 14.10 H new ATOM 0 HG3 GLU A 13 3.200 -7.169 2.639 1.00 14.10 H new ATOM 195 N LEU A 14 2.001 -3.667 3.269 1.00 42.14 N ATOM 196 CA LEU A 14 0.793 -3.136 3.916 1.00 20.11 C ATOM 197 C LEU A 14 -0.225 -4.274 4.109 1.00 1.14 C ATOM 198 O LEU A 14 -0.907 -4.669 3.160 1.00 14.43 O ATOM 199 CB LEU A 14 0.194 -2.006 3.029 1.00 53.00 C ATOM 200 CG LEU A 14 1.169 -0.833 2.698 1.00 11.23 C ATOM 201 CD1 LEU A 14 0.507 0.218 1.789 1.00 14.12 C ATOM 202 CD2 LEU A 14 1.716 -0.183 3.988 1.00 50.05 C ATOM 0 H LEU A 14 1.897 -3.810 2.265 1.00 42.14 H new ATOM 0 HA LEU A 14 1.041 -2.722 4.893 1.00 20.11 H new ATOM 0 HB2 LEU A 14 -0.151 -2.445 2.093 1.00 53.00 H new ATOM 0 HB3 LEU A 14 -0.683 -1.598 3.532 1.00 53.00 H new ATOM 0 HG LEU A 14 2.011 -1.256 2.149 1.00 11.23 H new ATOM 0 HD11 LEU A 14 1.217 1.018 1.581 1.00 14.12 H new ATOM 0 HD12 LEU A 14 0.204 -0.250 0.853 1.00 14.12 H new ATOM 0 HD13 LEU A 14 -0.369 0.631 2.289 1.00 14.12 H new ATOM 0 HD21 LEU A 14 2.392 0.631 3.727 1.00 50.05 H new ATOM 0 HD22 LEU A 14 0.887 0.209 4.578 1.00 50.05 H new ATOM 0 HD23 LEU A 14 2.255 -0.930 4.571 1.00 50.05 H new ATOM 214 N VAL A 15 -0.306 -4.800 5.341 1.00 23.12 N ATOM 215 CA VAL A 15 -1.310 -5.812 5.722 1.00 5.53 C ATOM 216 C VAL A 15 -2.522 -5.089 6.339 1.00 62.25 C ATOM 217 O VAL A 15 -2.421 -4.482 7.412 1.00 71.52 O ATOM 218 CB VAL A 15 -0.739 -6.874 6.730 1.00 22.04 C ATOM 219 CG1 VAL A 15 -1.808 -7.940 7.089 1.00 71.13 C ATOM 220 CG2 VAL A 15 0.538 -7.538 6.162 1.00 1.41 C ATOM 0 H VAL A 15 0.321 -4.538 6.102 1.00 23.12 H new ATOM 0 HA VAL A 15 -1.603 -6.360 4.827 1.00 5.53 H new ATOM 0 HB VAL A 15 -0.471 -6.353 7.649 1.00 22.04 H new ATOM 0 HG11 VAL A 15 -1.383 -8.661 7.788 1.00 71.13 H new ATOM 0 HG12 VAL A 15 -2.668 -7.453 7.549 1.00 71.13 H new ATOM 0 HG13 VAL A 15 -2.125 -8.457 6.183 1.00 71.13 H new ATOM 0 HG21 VAL A 15 0.916 -8.270 6.876 1.00 1.41 H new ATOM 0 HG22 VAL A 15 0.301 -8.037 5.222 1.00 1.41 H new ATOM 0 HG23 VAL A 15 1.297 -6.776 5.987 1.00 1.41 H new ATOM 230 N VAL A 16 -3.658 -5.165 5.641 1.00 53.31 N ATOM 231 CA VAL A 16 -4.852 -4.351 5.924 1.00 42.44 C ATOM 232 C VAL A 16 -5.959 -5.215 6.531 1.00 24.10 C ATOM 233 O VAL A 16 -6.178 -6.342 6.091 1.00 71.03 O ATOM 234 CB VAL A 16 -5.402 -3.684 4.606 1.00 22.52 C ATOM 235 CG1 VAL A 16 -6.371 -2.519 4.910 1.00 35.21 C ATOM 236 CG2 VAL A 16 -4.250 -3.228 3.692 1.00 35.11 C ATOM 0 H VAL A 16 -3.780 -5.800 4.853 1.00 53.31 H new ATOM 0 HA VAL A 16 -4.559 -3.574 6.630 1.00 42.44 H new ATOM 0 HB VAL A 16 -5.973 -4.445 4.073 1.00 22.52 H new ATOM 0 HG11 VAL A 16 -6.726 -2.088 3.974 1.00 35.21 H new ATOM 0 HG12 VAL A 16 -7.220 -2.892 5.483 1.00 35.21 H new ATOM 0 HG13 VAL A 16 -5.851 -1.755 5.487 1.00 35.21 H new ATOM 0 HG21 VAL A 16 -4.659 -2.772 2.791 1.00 35.11 H new ATOM 0 HG22 VAL A 16 -3.634 -2.500 4.219 1.00 35.11 H new ATOM 0 HG23 VAL A 16 -3.640 -4.089 3.418 1.00 35.11 H new ATOM 246 N HIS A 17 -6.636 -4.684 7.557 1.00 0.44 N ATOM 247 CA HIS A 17 -7.872 -5.275 8.102 1.00 74.24 C ATOM 248 C HIS A 17 -8.921 -4.162 8.314 1.00 14.14 C ATOM 249 O HIS A 17 -9.463 -3.988 9.410 1.00 61.32 O ATOM 250 CB HIS A 17 -7.582 -6.063 9.413 1.00 73.02 C ATOM 251 CG HIS A 17 -6.587 -7.182 9.246 1.00 2.23 C ATOM 252 ND1 HIS A 17 -5.267 -7.082 9.627 1.00 60.11 N ATOM 253 CD2 HIS A 17 -6.725 -8.424 8.718 1.00 62.51 C ATOM 254 CE1 HIS A 17 -4.640 -8.199 9.336 1.00 61.43 C ATOM 255 NE2 HIS A 17 -5.497 -9.029 8.784 1.00 14.20 N ATOM 0 H HIS A 17 -6.345 -3.832 8.035 1.00 0.44 H new ATOM 0 HA HIS A 17 -8.275 -5.994 7.389 1.00 74.24 H new ATOM 0 HB2 HIS A 17 -7.211 -5.369 10.167 1.00 73.02 H new ATOM 0 HB3 HIS A 17 -8.517 -6.475 9.792 1.00 73.02 H new ATOM 0 HD2 HIS A 17 -7.632 -8.855 8.320 1.00 62.51 H new ATOM 0 HE1 HIS A 17 -3.595 -8.402 9.520 1.00 61.43 H new ATOM 0 HE2 HIS A 17 -5.283 -9.971 8.457 1.00 14.20 H new ATOM 264 N LEU A 18 -9.145 -3.362 7.248 1.00 35.21 N ATOM 265 CA LEU A 18 -10.300 -2.439 7.158 1.00 23.55 C ATOM 266 C LEU A 18 -11.667 -3.165 7.373 1.00 54.24 C ATOM 267 O LEU A 18 -11.778 -4.388 7.214 1.00 71.10 O ATOM 268 CB LEU A 18 -10.263 -1.643 5.800 1.00 22.22 C ATOM 269 CG LEU A 18 -9.963 -2.432 4.458 1.00 50.21 C ATOM 270 CD1 LEU A 18 -11.009 -3.509 4.106 1.00 34.31 C ATOM 271 CD2 LEU A 18 -9.787 -1.449 3.278 1.00 63.20 C ATOM 0 H LEU A 18 -8.535 -3.337 6.431 1.00 35.21 H new ATOM 0 HA LEU A 18 -10.212 -1.723 7.975 1.00 23.55 H new ATOM 0 HB2 LEU A 18 -11.226 -1.147 5.682 1.00 22.22 H new ATOM 0 HB3 LEU A 18 -9.511 -0.860 5.897 1.00 22.22 H new ATOM 0 HG LEU A 18 -9.032 -2.970 4.637 1.00 50.21 H new ATOM 0 HD11 LEU A 18 -10.727 -4.000 3.174 1.00 34.31 H new ATOM 0 HD12 LEU A 18 -11.054 -4.248 4.906 1.00 34.31 H new ATOM 0 HD13 LEU A 18 -11.987 -3.042 3.988 1.00 34.31 H new ATOM 0 HD21 LEU A 18 -9.582 -2.009 2.366 1.00 63.20 H new ATOM 0 HD22 LEU A 18 -10.700 -0.868 3.149 1.00 63.20 H new ATOM 0 HD23 LEU A 18 -8.955 -0.776 3.486 1.00 63.20 H new ATOM 283 N SER A 19 -12.704 -2.391 7.722 1.00 34.44 N ATOM 284 CA SER A 19 -14.081 -2.906 7.949 1.00 34.31 C ATOM 285 C SER A 19 -14.858 -3.069 6.608 1.00 34.22 C ATOM 286 O SER A 19 -16.055 -2.780 6.533 1.00 12.12 O ATOM 287 CB SER A 19 -14.831 -1.944 8.913 1.00 11.30 C ATOM 288 OG SER A 19 -14.143 -1.807 10.151 1.00 4.22 O ATOM 0 H SER A 19 -12.621 -1.384 7.858 1.00 34.44 H new ATOM 0 HA SER A 19 -14.017 -3.896 8.401 1.00 34.31 H new ATOM 0 HB2 SER A 19 -14.936 -0.966 8.444 1.00 11.30 H new ATOM 0 HB3 SER A 19 -15.838 -2.321 9.094 1.00 11.30 H new ATOM 0 HG SER A 19 -14.638 -1.195 10.735 1.00 4.22 H new ATOM 294 N GLY A 20 -14.171 -3.588 5.567 1.00 65.32 N ATOM 295 CA GLY A 20 -14.759 -3.782 4.234 1.00 25.13 C ATOM 296 C GLY A 20 -14.627 -5.231 3.736 1.00 72.12 C ATOM 297 O GLY A 20 -13.663 -5.547 3.029 1.00 33.50 O ATOM 0 H GLY A 20 -13.196 -3.882 5.632 1.00 65.32 H new ATOM 0 HA2 GLY A 20 -15.813 -3.506 4.262 1.00 25.13 H new ATOM 0 HA3 GLY A 20 -14.272 -3.112 3.525 1.00 25.13 H new ATOM 301 N PRO A 21 -15.583 -6.155 4.100 1.00 3.34 N ATOM 302 CA PRO A 21 -15.533 -7.576 3.671 1.00 30.10 C ATOM 303 C PRO A 21 -16.014 -7.787 2.203 1.00 32.12 C ATOM 304 O PRO A 21 -16.842 -7.017 1.687 1.00 53.22 O ATOM 305 CB PRO A 21 -16.471 -8.272 4.691 1.00 54.00 C ATOM 306 CG PRO A 21 -17.496 -7.228 5.029 1.00 15.02 C ATOM 307 CD PRO A 21 -16.775 -5.887 4.960 1.00 42.01 C ATOM 0 HA PRO A 21 -14.519 -7.975 3.666 1.00 30.10 H new ATOM 0 HB2 PRO A 21 -16.935 -9.160 4.262 1.00 54.00 H new ATOM 0 HB3 PRO A 21 -15.925 -8.594 5.578 1.00 54.00 H new ATOM 0 HG2 PRO A 21 -18.329 -7.259 4.327 1.00 15.02 H new ATOM 0 HG3 PRO A 21 -17.910 -7.397 6.023 1.00 15.02 H new ATOM 0 HD2 PRO A 21 -17.412 -5.114 4.529 1.00 42.01 H new ATOM 0 HD3 PRO A 21 -16.481 -5.541 5.951 1.00 42.01 H new ATOM 315 N GLY A 22 -15.480 -8.838 1.546 1.00 2.52 N ATOM 316 CA GLY A 22 -15.808 -9.152 0.148 1.00 3.55 C ATOM 317 C GLY A 22 -15.143 -8.187 -0.838 1.00 45.34 C ATOM 318 O GLY A 22 -14.012 -8.419 -1.278 1.00 15.41 O ATOM 0 H GLY A 22 -14.815 -9.485 1.969 1.00 2.52 H new ATOM 0 HA2 GLY A 22 -15.493 -10.171 -0.076 1.00 3.55 H new ATOM 0 HA3 GLY A 22 -16.889 -9.116 0.014 1.00 3.55 H new ATOM 322 N GLY A 23 -15.842 -7.088 -1.160 1.00 23.42 N ATOM 323 CA GLY A 23 -15.318 -6.059 -2.063 1.00 51.31 C ATOM 324 C GLY A 23 -15.574 -6.353 -3.559 1.00 74.23 C ATOM 325 O GLY A 23 -16.740 -6.350 -3.975 1.00 1.25 O ATOM 0 H GLY A 23 -16.777 -6.891 -0.804 1.00 23.42 H new ATOM 0 HA2 GLY A 23 -15.770 -5.101 -1.808 1.00 51.31 H new ATOM 0 HA3 GLY A 23 -14.245 -5.958 -1.900 1.00 51.31 H new ATOM 329 N PRO A 24 -14.525 -6.601 -4.426 1.00 44.34 N ATOM 330 CA PRO A 24 -13.074 -6.605 -4.043 1.00 33.25 C ATOM 331 C PRO A 24 -12.501 -5.186 -3.766 1.00 72.42 C ATOM 332 O PRO A 24 -13.052 -4.178 -4.215 1.00 2.50 O ATOM 333 CB PRO A 24 -12.398 -7.251 -5.281 1.00 2.41 C ATOM 334 CG PRO A 24 -13.282 -6.864 -6.426 1.00 15.11 C ATOM 335 CD PRO A 24 -14.695 -6.914 -5.875 1.00 4.04 C ATOM 0 HA PRO A 24 -12.900 -7.138 -3.108 1.00 33.25 H new ATOM 0 HB2 PRO A 24 -11.382 -6.880 -5.419 1.00 2.41 H new ATOM 0 HB3 PRO A 24 -12.331 -8.334 -5.178 1.00 2.41 H new ATOM 0 HG2 PRO A 24 -13.038 -5.867 -6.792 1.00 15.11 H new ATOM 0 HG3 PRO A 24 -13.162 -7.550 -7.265 1.00 15.11 H new ATOM 0 HD2 PRO A 24 -15.342 -6.188 -6.368 1.00 4.04 H new ATOM 0 HD3 PRO A 24 -15.147 -7.895 -6.022 1.00 4.04 H new ATOM 343 N VAL A 25 -11.404 -5.129 -3.006 1.00 71.20 N ATOM 344 CA VAL A 25 -10.761 -3.857 -2.613 1.00 5.44 C ATOM 345 C VAL A 25 -9.686 -3.438 -3.658 1.00 22.53 C ATOM 346 O VAL A 25 -8.809 -4.233 -4.014 1.00 52.01 O ATOM 347 CB VAL A 25 -10.119 -3.982 -1.187 1.00 44.00 C ATOM 348 CG1 VAL A 25 -9.570 -2.627 -0.687 1.00 31.51 C ATOM 349 CG2 VAL A 25 -11.112 -4.598 -0.167 1.00 50.40 C ATOM 0 H VAL A 25 -10.932 -5.957 -2.643 1.00 71.20 H new ATOM 0 HA VAL A 25 -11.528 -3.083 -2.581 1.00 5.44 H new ATOM 0 HB VAL A 25 -9.273 -4.664 -1.275 1.00 44.00 H new ATOM 0 HG11 VAL A 25 -9.133 -2.755 0.304 1.00 31.51 H new ATOM 0 HG12 VAL A 25 -8.806 -2.267 -1.376 1.00 31.51 H new ATOM 0 HG13 VAL A 25 -10.382 -1.902 -0.635 1.00 31.51 H new ATOM 0 HG21 VAL A 25 -10.633 -4.669 0.810 1.00 50.40 H new ATOM 0 HG22 VAL A 25 -11.996 -3.965 -0.092 1.00 50.40 H new ATOM 0 HG23 VAL A 25 -11.406 -5.593 -0.501 1.00 50.40 H new ATOM 359 N ARG A 26 -9.762 -2.181 -4.131 1.00 14.01 N ATOM 360 CA ARG A 26 -8.872 -1.648 -5.193 1.00 73.02 C ATOM 361 C ARG A 26 -7.708 -0.840 -4.578 1.00 75.13 C ATOM 362 O ARG A 26 -7.934 0.021 -3.737 1.00 50.23 O ATOM 363 CB ARG A 26 -9.683 -0.728 -6.141 1.00 1.42 C ATOM 364 CG ARG A 26 -10.916 -1.383 -6.803 1.00 12.30 C ATOM 365 CD ARG A 26 -11.682 -0.396 -7.701 1.00 3.42 C ATOM 366 NE ARG A 26 -12.839 -1.015 -8.364 1.00 32.31 N ATOM 367 CZ ARG A 26 -13.435 -0.558 -9.445 1.00 23.13 C ATOM 368 NH1 ARG A 26 -13.023 0.519 -10.041 1.00 51.12 N ATOM 369 NH2 ARG A 26 -14.448 -1.195 -9.928 1.00 32.04 N ATOM 0 H ARG A 26 -10.441 -1.501 -3.791 1.00 14.01 H new ATOM 0 HA ARG A 26 -8.462 -2.490 -5.751 1.00 73.02 H new ATOM 0 HB2 ARG A 26 -10.014 0.144 -5.578 1.00 1.42 H new ATOM 0 HB3 ARG A 26 -9.019 -0.367 -6.926 1.00 1.42 H new ATOM 0 HG2 ARG A 26 -10.596 -2.240 -7.396 1.00 12.30 H new ATOM 0 HG3 ARG A 26 -11.584 -1.762 -6.030 1.00 12.30 H new ATOM 0 HD2 ARG A 26 -12.021 0.448 -7.100 1.00 3.42 H new ATOM 0 HD3 ARG A 26 -11.005 0.002 -8.457 1.00 3.42 H new ATOM 0 HE ARG A 26 -13.211 -1.870 -7.952 1.00 32.31 H new ATOM 0 HH11 ARG A 26 -12.221 1.031 -9.673 1.00 51.12 H new ATOM 0 HH12 ARG A 26 -13.501 0.854 -10.878 1.00 51.12 H new ATOM 0 HH21 ARG A 26 -14.780 -2.045 -9.472 1.00 32.04 H new ATOM 0 HH22 ARG A 26 -14.916 -0.849 -10.765 1.00 32.04 H new ATOM 383 N TRP A 27 -6.471 -1.102 -5.024 1.00 54.11 N ATOM 384 CA TRP A 27 -5.274 -0.382 -4.530 1.00 21.41 C ATOM 385 C TRP A 27 -4.864 0.755 -5.470 1.00 74.24 C ATOM 386 O TRP A 27 -4.522 0.515 -6.623 1.00 21.12 O ATOM 387 CB TRP A 27 -4.080 -1.351 -4.358 1.00 12.42 C ATOM 388 CG TRP A 27 -4.133 -2.148 -3.092 1.00 74.32 C ATOM 389 CD1 TRP A 27 -4.667 -3.390 -2.901 1.00 41.32 C ATOM 390 CD2 TRP A 27 -3.641 -1.717 -1.821 1.00 62.21 C ATOM 391 NE1 TRP A 27 -4.493 -3.774 -1.599 1.00 72.33 N ATOM 392 CE2 TRP A 27 -3.878 -2.756 -0.912 1.00 72.03 C ATOM 393 CE3 TRP A 27 -3.015 -0.545 -1.372 1.00 63.32 C ATOM 394 CZ2 TRP A 27 -3.501 -2.668 0.414 1.00 74.22 C ATOM 395 CZ3 TRP A 27 -2.646 -0.457 -0.047 1.00 30.03 C ATOM 396 CH2 TRP A 27 -2.894 -1.511 0.835 1.00 34.03 C ATOM 0 H TRP A 27 -6.266 -1.810 -5.729 1.00 54.11 H new ATOM 0 HA TRP A 27 -5.542 0.045 -3.564 1.00 21.41 H new ATOM 0 HB2 TRP A 27 -4.052 -2.034 -5.207 1.00 12.42 H new ATOM 0 HB3 TRP A 27 -3.152 -0.779 -4.379 1.00 12.42 H new ATOM 0 HD1 TRP A 27 -5.154 -3.981 -3.663 1.00 41.32 H new ATOM 0 HE1 TRP A 27 -4.774 -4.671 -1.203 1.00 72.33 H new ATOM 0 HE3 TRP A 27 -2.826 0.273 -2.051 1.00 63.32 H new ATOM 0 HZ2 TRP A 27 -3.678 -3.484 1.098 1.00 74.22 H new ATOM 0 HZ3 TRP A 27 -2.159 0.437 0.313 1.00 30.03 H new ATOM 0 HH2 TRP A 27 -2.602 -1.414 1.870 1.00 34.03 H new ATOM 407 N TYR A 28 -4.896 1.988 -4.949 1.00 4.42 N ATOM 408 CA TYR A 28 -4.395 3.191 -5.633 1.00 33.24 C ATOM 409 C TYR A 28 -3.153 3.719 -4.897 1.00 34.15 C ATOM 410 O TYR A 28 -3.036 3.561 -3.682 1.00 42.34 O ATOM 411 CB TYR A 28 -5.504 4.273 -5.696 1.00 25.24 C ATOM 412 CG TYR A 28 -6.768 3.796 -6.436 1.00 22.53 C ATOM 413 CD1 TYR A 28 -6.865 3.884 -7.828 1.00 65.12 C ATOM 414 CD2 TYR A 28 -7.847 3.231 -5.747 1.00 13.42 C ATOM 415 CE1 TYR A 28 -7.987 3.441 -8.500 1.00 24.24 C ATOM 416 CE2 TYR A 28 -8.969 2.787 -6.418 1.00 42.11 C ATOM 417 CZ TYR A 28 -9.031 2.890 -7.796 1.00 42.11 C ATOM 418 OH TYR A 28 -10.146 2.446 -8.469 1.00 42.02 O ATOM 0 H TYR A 28 -5.277 2.183 -4.023 1.00 4.42 H new ATOM 0 HA TYR A 28 -4.115 2.938 -6.655 1.00 33.24 H new ATOM 0 HB2 TYR A 28 -5.773 4.569 -4.682 1.00 25.24 H new ATOM 0 HB3 TYR A 28 -5.111 5.160 -6.193 1.00 25.24 H new ATOM 0 HD1 TYR A 28 -6.045 4.307 -8.389 1.00 65.12 H new ATOM 0 HD2 TYR A 28 -7.801 3.141 -4.672 1.00 13.42 H new ATOM 0 HE1 TYR A 28 -8.044 3.527 -9.575 1.00 24.24 H new ATOM 0 HE2 TYR A 28 -9.795 2.361 -5.869 1.00 42.11 H new ATOM 0 HH TYR A 28 -9.889 2.146 -9.366 1.00 42.02 H new ATOM 428 N LYS A 29 -2.217 4.319 -5.633 1.00 33.14 N ATOM 429 CA LYS A 29 -1.007 4.928 -5.049 1.00 62.02 C ATOM 430 C LYS A 29 -0.843 6.380 -5.550 1.00 51.14 C ATOM 431 O LYS A 29 -0.658 6.626 -6.745 1.00 11.41 O ATOM 432 CB LYS A 29 0.254 4.068 -5.364 1.00 44.10 C ATOM 433 CG LYS A 29 1.615 4.802 -5.278 1.00 33.11 C ATOM 434 CD LYS A 29 1.972 5.325 -3.869 1.00 42.23 C ATOM 435 CE LYS A 29 3.282 6.136 -3.862 1.00 5.10 C ATOM 436 NZ LYS A 29 4.378 5.470 -4.613 1.00 65.53 N ATOM 0 H LYS A 29 -2.270 4.400 -6.648 1.00 33.14 H new ATOM 0 HA LYS A 29 -1.119 4.957 -3.965 1.00 62.02 H new ATOM 0 HB2 LYS A 29 0.275 3.224 -4.675 1.00 44.10 H new ATOM 0 HB3 LYS A 29 0.148 3.657 -6.368 1.00 44.10 H new ATOM 0 HG2 LYS A 29 2.401 4.124 -5.610 1.00 33.11 H new ATOM 0 HG3 LYS A 29 1.605 5.642 -5.972 1.00 33.11 H new ATOM 0 HD2 LYS A 29 1.159 5.949 -3.498 1.00 42.23 H new ATOM 0 HD3 LYS A 29 2.065 4.482 -3.184 1.00 42.23 H new ATOM 0 HE2 LYS A 29 3.097 7.119 -4.295 1.00 5.10 H new ATOM 0 HE3 LYS A 29 3.599 6.296 -2.831 1.00 5.10 H new ATOM 0 HZ1 LYS A 29 5.207 6.097 -4.647 1.00 65.53 H new ATOM 0 HZ2 LYS A 29 4.635 4.582 -4.137 1.00 65.53 H new ATOM 0 HZ3 LYS A 29 4.060 5.264 -5.582 1.00 65.53 H new ATOM 450 N ASP A 30 -0.991 7.317 -4.592 1.00 43.21 N ATOM 451 CA ASP A 30 -0.655 8.756 -4.723 1.00 32.45 C ATOM 452 C ASP A 30 -1.435 9.470 -5.873 1.00 14.12 C ATOM 453 O ASP A 30 -1.116 10.605 -6.241 1.00 15.43 O ATOM 454 CB ASP A 30 0.893 8.907 -4.878 1.00 15.04 C ATOM 455 CG ASP A 30 1.442 10.199 -4.262 1.00 20.11 C ATOM 456 OD1 ASP A 30 1.519 10.281 -3.015 1.00 42.55 O ATOM 457 OD2 ASP A 30 1.765 11.148 -5.008 1.00 54.53 O ATOM 0 H ASP A 30 -1.361 7.087 -3.670 1.00 43.21 H new ATOM 0 HA ASP A 30 -0.977 9.263 -3.813 1.00 32.45 H new ATOM 0 HB2 ASP A 30 1.383 8.053 -4.410 1.00 15.04 H new ATOM 0 HB3 ASP A 30 1.149 8.880 -5.937 1.00 15.04 H new ATOM 462 N GLY A 31 -2.478 8.806 -6.400 1.00 71.21 N ATOM 463 CA GLY A 31 -3.248 9.335 -7.526 1.00 35.40 C ATOM 464 C GLY A 31 -3.929 8.244 -8.358 1.00 63.31 C ATOM 465 O GLY A 31 -5.072 8.435 -8.796 1.00 70.21 O ATOM 0 H GLY A 31 -2.803 7.901 -6.060 1.00 71.21 H new ATOM 0 HA2 GLY A 31 -4.006 10.021 -7.149 1.00 35.40 H new ATOM 0 HA3 GLY A 31 -2.586 9.914 -8.170 1.00 35.40 H new ATOM 469 N GLU A 32 -3.243 7.093 -8.588 1.00 74.23 N ATOM 470 CA GLU A 32 -3.759 6.041 -9.507 1.00 53.22 C ATOM 471 C GLU A 32 -3.221 4.622 -9.161 1.00 52.44 C ATOM 472 O GLU A 32 -2.153 4.485 -8.562 1.00 34.44 O ATOM 473 CB GLU A 32 -3.433 6.435 -10.974 1.00 40.01 C ATOM 474 CG GLU A 32 -4.166 5.603 -12.045 1.00 34.02 C ATOM 475 CD GLU A 32 -4.061 6.193 -13.458 1.00 52.04 C ATOM 476 OE1 GLU A 32 -2.982 6.087 -14.068 1.00 53.23 O ATOM 477 OE2 GLU A 32 -5.057 6.761 -13.958 1.00 71.41 O ATOM 0 H GLU A 32 -2.345 6.871 -8.158 1.00 74.23 H new ATOM 0 HA GLU A 32 -4.840 5.983 -9.381 1.00 53.22 H new ATOM 0 HB2 GLU A 32 -3.683 7.486 -11.117 1.00 40.01 H new ATOM 0 HB3 GLU A 32 -2.359 6.338 -11.131 1.00 40.01 H new ATOM 0 HG2 GLU A 32 -3.758 4.592 -12.051 1.00 34.02 H new ATOM 0 HG3 GLU A 32 -5.218 5.520 -11.772 1.00 34.02 H new ATOM 484 N ARG A 33 -3.982 3.584 -9.589 1.00 2.51 N ATOM 485 CA ARG A 33 -3.830 2.172 -9.140 1.00 55.24 C ATOM 486 C ARG A 33 -2.454 1.509 -9.433 1.00 60.20 C ATOM 487 O ARG A 33 -1.753 1.873 -10.387 1.00 2.34 O ATOM 488 CB ARG A 33 -4.988 1.285 -9.716 1.00 74.10 C ATOM 489 CG ARG A 33 -4.836 0.805 -11.188 1.00 24.42 C ATOM 490 CD ARG A 33 -4.844 1.946 -12.220 1.00 43.32 C ATOM 491 NE ARG A 33 -4.818 1.452 -13.612 1.00 40.14 N ATOM 492 CZ ARG A 33 -4.225 2.045 -14.629 1.00 74.34 C ATOM 493 NH1 ARG A 33 -3.496 3.106 -14.469 1.00 41.44 N ATOM 494 NH2 ARG A 33 -4.356 1.556 -15.813 1.00 34.24 N ATOM 0 H ARG A 33 -4.733 3.704 -10.268 1.00 2.51 H new ATOM 0 HA ARG A 33 -3.886 2.228 -8.053 1.00 55.24 H new ATOM 0 HB2 ARG A 33 -5.091 0.405 -9.080 1.00 74.10 H new ATOM 0 HB3 ARG A 33 -5.919 1.847 -9.636 1.00 74.10 H new ATOM 0 HG2 ARG A 33 -3.904 0.248 -11.284 1.00 24.42 H new ATOM 0 HG3 ARG A 33 -5.646 0.113 -11.420 1.00 24.42 H new ATOM 0 HD2 ARG A 33 -5.733 2.559 -12.072 1.00 43.32 H new ATOM 0 HD3 ARG A 33 -3.981 2.590 -12.051 1.00 43.32 H new ATOM 0 HE ARG A 33 -5.302 0.575 -13.803 1.00 40.14 H new ATOM 0 HH11 ARG A 33 -3.370 3.502 -13.538 1.00 41.44 H new ATOM 0 HH12 ARG A 33 -3.049 3.544 -15.275 1.00 41.44 H new ATOM 0 HH21 ARG A 33 -4.915 0.716 -15.959 1.00 34.24 H new ATOM 0 HH22 ARG A 33 -3.900 2.009 -16.605 1.00 34.24 H new ATOM 508 N LEU A 34 -2.095 0.520 -8.581 1.00 0.35 N ATOM 509 CA LEU A 34 -0.914 -0.357 -8.791 1.00 64.32 C ATOM 510 C LEU A 34 -1.317 -1.683 -9.483 1.00 62.24 C ATOM 511 O LEU A 34 -2.487 -2.078 -9.469 1.00 44.12 O ATOM 512 CB LEU A 34 -0.193 -0.676 -7.445 1.00 21.34 C ATOM 513 CG LEU A 34 0.431 0.537 -6.684 1.00 15.04 C ATOM 514 CD1 LEU A 34 1.300 0.080 -5.493 1.00 53.42 C ATOM 515 CD2 LEU A 34 1.241 1.445 -7.645 1.00 40.53 C ATOM 0 H LEU A 34 -2.614 0.306 -7.729 1.00 0.35 H new ATOM 0 HA LEU A 34 -0.227 0.188 -9.438 1.00 64.32 H new ATOM 0 HB2 LEU A 34 -0.908 -1.163 -6.782 1.00 21.34 H new ATOM 0 HB3 LEU A 34 0.599 -1.397 -7.645 1.00 21.34 H new ATOM 0 HG LEU A 34 -0.395 1.123 -6.280 1.00 15.04 H new ATOM 0 HD11 LEU A 34 1.716 0.953 -4.990 1.00 53.42 H new ATOM 0 HD12 LEU A 34 0.687 -0.486 -4.791 1.00 53.42 H new ATOM 0 HD13 LEU A 34 2.112 -0.551 -5.856 1.00 53.42 H new ATOM 0 HD21 LEU A 34 1.663 2.281 -7.087 1.00 40.53 H new ATOM 0 HD22 LEU A 34 2.047 0.868 -8.099 1.00 40.53 H new ATOM 0 HD23 LEU A 34 0.583 1.826 -8.426 1.00 40.53 H new ATOM 527 N ALA A 35 -0.314 -2.366 -10.060 1.00 41.32 N ATOM 528 CA ALA A 35 -0.481 -3.678 -10.718 1.00 51.24 C ATOM 529 C ALA A 35 0.544 -4.682 -10.149 1.00 54.14 C ATOM 530 O ALA A 35 1.724 -4.345 -10.002 1.00 20.33 O ATOM 531 CB ALA A 35 -0.315 -3.530 -12.240 1.00 62.42 C ATOM 0 H ALA A 35 0.646 -2.022 -10.084 1.00 41.32 H new ATOM 0 HA ALA A 35 -1.484 -4.056 -10.519 1.00 51.24 H new ATOM 0 HB1 ALA A 35 -0.440 -4.503 -12.716 1.00 62.42 H new ATOM 0 HB2 ALA A 35 -1.067 -2.840 -12.623 1.00 62.42 H new ATOM 0 HB3 ALA A 35 0.679 -3.143 -12.462 1.00 62.42 H new ATOM 537 N SER A 36 0.082 -5.908 -9.833 1.00 22.12 N ATOM 538 CA SER A 36 0.929 -6.971 -9.241 1.00 72.22 C ATOM 539 C SER A 36 1.994 -7.487 -10.250 1.00 43.31 C ATOM 540 O SER A 36 1.745 -8.419 -11.030 1.00 15.22 O ATOM 541 CB SER A 36 0.047 -8.136 -8.726 1.00 44.25 C ATOM 542 OG SER A 36 -0.780 -8.674 -9.751 1.00 71.20 O ATOM 0 H SER A 36 -0.887 -6.192 -9.979 1.00 22.12 H new ATOM 0 HA SER A 36 1.466 -6.539 -8.397 1.00 72.22 H new ATOM 0 HB2 SER A 36 0.685 -8.923 -8.325 1.00 44.25 H new ATOM 0 HB3 SER A 36 -0.577 -7.782 -7.905 1.00 44.25 H new ATOM 0 HG SER A 36 -0.249 -8.807 -10.564 1.00 71.20 H new ATOM 548 N GLN A 37 3.172 -6.827 -10.251 1.00 21.41 N ATOM 549 CA GLN A 37 4.298 -7.147 -11.164 1.00 0.43 C ATOM 550 C GLN A 37 5.650 -7.182 -10.397 1.00 10.53 C ATOM 551 O GLN A 37 6.237 -6.124 -10.122 1.00 30.43 O ATOM 552 CB GLN A 37 4.362 -6.110 -12.330 1.00 45.20 C ATOM 553 CG GLN A 37 3.107 -6.081 -13.238 1.00 30.42 C ATOM 554 CD GLN A 37 3.180 -5.074 -14.391 1.00 12.45 C ATOM 555 OE1 GLN A 37 3.818 -4.033 -14.292 1.00 51.33 O ATOM 556 NE2 GLN A 37 2.518 -5.374 -15.492 1.00 22.44 N ATOM 0 H GLN A 37 3.373 -6.054 -9.617 1.00 21.41 H new ATOM 0 HA GLN A 37 4.122 -8.138 -11.582 1.00 0.43 H new ATOM 0 HB2 GLN A 37 4.511 -5.117 -11.907 1.00 45.20 H new ATOM 0 HB3 GLN A 37 5.235 -6.329 -12.946 1.00 45.20 H new ATOM 0 HG2 GLN A 37 2.950 -7.077 -13.652 1.00 30.42 H new ATOM 0 HG3 GLN A 37 2.236 -5.850 -12.625 1.00 30.42 H new ATOM 0 HE21 GLN A 37 1.994 -6.247 -15.550 1.00 22.44 H new ATOM 0 HE22 GLN A 37 2.530 -4.733 -16.285 1.00 22.44 H new ATOM 565 N GLY A 38 6.099 -8.411 -10.037 1.00 13.43 N ATOM 566 CA GLY A 38 7.430 -8.655 -9.451 1.00 73.52 C ATOM 567 C GLY A 38 7.655 -7.994 -8.083 1.00 13.34 C ATOM 568 O GLY A 38 7.390 -8.597 -7.034 1.00 5.15 O ATOM 0 H GLY A 38 5.543 -9.259 -10.148 1.00 13.43 H new ATOM 0 HA2 GLY A 38 7.577 -9.730 -9.349 1.00 73.52 H new ATOM 0 HA3 GLY A 38 8.190 -8.294 -10.144 1.00 73.52 H new ATOM 572 N ARG A 39 8.150 -6.747 -8.115 1.00 14.20 N ATOM 573 CA ARG A 39 8.413 -5.936 -6.903 1.00 62.44 C ATOM 574 C ARG A 39 7.090 -5.499 -6.219 1.00 32.45 C ATOM 575 O ARG A 39 6.994 -5.487 -4.984 1.00 31.35 O ATOM 576 CB ARG A 39 9.303 -4.713 -7.283 1.00 11.01 C ATOM 577 CG ARG A 39 8.665 -3.712 -8.286 1.00 64.21 C ATOM 578 CD ARG A 39 9.702 -2.802 -8.972 1.00 75.45 C ATOM 579 NE ARG A 39 10.574 -3.571 -9.882 1.00 14.31 N ATOM 580 CZ ARG A 39 11.802 -3.261 -10.223 1.00 13.24 C ATOM 581 NH1 ARG A 39 12.422 -2.252 -9.704 1.00 13.14 N ATOM 582 NH2 ARG A 39 12.421 -3.992 -11.079 1.00 35.54 N ATOM 0 H ARG A 39 8.382 -6.265 -8.984 1.00 14.20 H new ATOM 0 HA ARG A 39 8.951 -6.544 -6.175 1.00 62.44 H new ATOM 0 HB2 ARG A 39 9.559 -4.174 -6.371 1.00 11.01 H new ATOM 0 HB3 ARG A 39 10.236 -5.082 -7.708 1.00 11.01 H new ATOM 0 HG2 ARG A 39 8.118 -4.268 -9.047 1.00 64.21 H new ATOM 0 HG3 ARG A 39 7.938 -3.093 -7.760 1.00 64.21 H new ATOM 0 HD2 ARG A 39 9.189 -2.020 -9.532 1.00 75.45 H new ATOM 0 HD3 ARG A 39 10.310 -2.306 -8.216 1.00 75.45 H new ATOM 0 HE ARG A 39 10.185 -4.424 -10.283 1.00 14.31 H new ATOM 0 HH11 ARG A 39 11.956 -1.670 -9.008 1.00 13.14 H new ATOM 0 HH12 ARG A 39 13.377 -2.038 -9.991 1.00 13.14 H new ATOM 0 HH21 ARG A 39 11.957 -4.804 -11.486 1.00 35.54 H new ATOM 0 HH22 ARG A 39 13.376 -3.760 -11.352 1.00 35.54 H new ATOM 596 N VAL A 40 6.077 -5.156 -7.040 1.00 21.24 N ATOM 597 CA VAL A 40 4.719 -4.834 -6.562 1.00 34.35 C ATOM 598 C VAL A 40 3.874 -6.127 -6.510 1.00 12.52 C ATOM 599 O VAL A 40 3.721 -6.813 -7.520 1.00 21.22 O ATOM 600 CB VAL A 40 4.025 -3.755 -7.475 1.00 34.22 C ATOM 601 CG1 VAL A 40 2.601 -3.414 -6.966 1.00 0.42 C ATOM 602 CG2 VAL A 40 4.899 -2.478 -7.576 1.00 63.12 C ATOM 0 H VAL A 40 6.178 -5.095 -8.053 1.00 21.24 H new ATOM 0 HA VAL A 40 4.796 -4.409 -5.561 1.00 34.35 H new ATOM 0 HB VAL A 40 3.923 -4.179 -8.474 1.00 34.22 H new ATOM 0 HG11 VAL A 40 2.151 -2.666 -7.619 1.00 0.42 H new ATOM 0 HG12 VAL A 40 1.988 -4.315 -6.969 1.00 0.42 H new ATOM 0 HG13 VAL A 40 2.662 -3.020 -5.951 1.00 0.42 H new ATOM 0 HG21 VAL A 40 4.401 -1.746 -8.211 1.00 63.12 H new ATOM 0 HG22 VAL A 40 5.044 -2.057 -6.581 1.00 63.12 H new ATOM 0 HG23 VAL A 40 5.867 -2.733 -8.007 1.00 63.12 H new ATOM 612 N GLN A 41 3.345 -6.464 -5.324 1.00 50.21 N ATOM 613 CA GLN A 41 2.630 -7.741 -5.082 1.00 43.41 C ATOM 614 C GLN A 41 1.266 -7.478 -4.410 1.00 72.21 C ATOM 615 O GLN A 41 1.210 -6.884 -3.333 1.00 73.43 O ATOM 616 CB GLN A 41 3.516 -8.664 -4.197 1.00 5.34 C ATOM 617 CG GLN A 41 4.844 -9.096 -4.866 1.00 25.45 C ATOM 618 CD GLN A 41 5.846 -9.714 -3.893 1.00 72.30 C ATOM 619 OE1 GLN A 41 5.860 -10.920 -3.664 1.00 12.34 O ATOM 620 NE2 GLN A 41 6.700 -8.893 -3.314 1.00 3.14 N ATOM 0 H GLN A 41 3.397 -5.864 -4.501 1.00 50.21 H new ATOM 0 HA GLN A 41 2.440 -8.237 -6.034 1.00 43.41 H new ATOM 0 HB2 GLN A 41 3.743 -8.147 -3.265 1.00 5.34 H new ATOM 0 HB3 GLN A 41 2.946 -9.556 -3.936 1.00 5.34 H new ATOM 0 HG2 GLN A 41 4.626 -9.815 -5.656 1.00 25.45 H new ATOM 0 HG3 GLN A 41 5.300 -8.228 -5.342 1.00 25.45 H new ATOM 0 HE21 GLN A 41 6.668 -7.895 -3.521 1.00 3.14 H new ATOM 0 HE22 GLN A 41 7.393 -9.256 -2.659 1.00 3.14 H new ATOM 629 N LEU A 42 0.173 -7.918 -5.064 1.00 11.32 N ATOM 630 CA LEU A 42 -1.209 -7.732 -4.564 1.00 14.13 C ATOM 631 C LEU A 42 -1.843 -9.081 -4.171 1.00 5.04 C ATOM 632 O LEU A 42 -2.267 -9.859 -5.034 1.00 4.31 O ATOM 633 CB LEU A 42 -2.083 -7.003 -5.628 1.00 64.13 C ATOM 634 CG LEU A 42 -1.711 -5.509 -5.898 1.00 44.51 C ATOM 635 CD1 LEU A 42 -2.610 -4.884 -6.988 1.00 3.02 C ATOM 636 CD2 LEU A 42 -1.776 -4.684 -4.595 1.00 63.03 C ATOM 0 H LEU A 42 0.221 -8.413 -5.955 1.00 11.32 H new ATOM 0 HA LEU A 42 -1.163 -7.110 -3.670 1.00 14.13 H new ATOM 0 HB2 LEU A 42 -2.013 -7.552 -6.567 1.00 64.13 H new ATOM 0 HB3 LEU A 42 -3.124 -7.048 -5.309 1.00 64.13 H new ATOM 0 HG LEU A 42 -0.686 -5.489 -6.268 1.00 44.51 H new ATOM 0 HD11 LEU A 42 -2.320 -3.845 -7.147 1.00 3.02 H new ATOM 0 HD12 LEU A 42 -2.493 -5.440 -7.918 1.00 3.02 H new ATOM 0 HD13 LEU A 42 -3.651 -4.925 -6.669 1.00 3.02 H new ATOM 0 HD21 LEU A 42 -1.513 -3.648 -4.807 1.00 63.03 H new ATOM 0 HD22 LEU A 42 -2.786 -4.726 -4.188 1.00 63.03 H new ATOM 0 HD23 LEU A 42 -1.074 -5.095 -3.869 1.00 63.03 H new ATOM 648 N GLU A 43 -1.845 -9.368 -2.864 1.00 21.31 N ATOM 649 CA GLU A 43 -2.611 -10.483 -2.284 1.00 12.34 C ATOM 650 C GLU A 43 -3.981 -9.939 -1.822 1.00 62.43 C ATOM 651 O GLU A 43 -4.048 -8.982 -1.047 1.00 41.14 O ATOM 652 CB GLU A 43 -1.821 -11.124 -1.100 1.00 24.33 C ATOM 653 CG GLU A 43 -2.354 -12.488 -0.578 1.00 3.40 C ATOM 654 CD GLU A 43 -3.620 -12.385 0.300 1.00 42.32 C ATOM 655 OE1 GLU A 43 -3.582 -11.665 1.320 1.00 22.01 O ATOM 656 OE2 GLU A 43 -4.642 -13.041 -0.004 1.00 15.23 O ATOM 0 H GLU A 43 -1.315 -8.834 -2.175 1.00 21.31 H new ATOM 0 HA GLU A 43 -2.767 -11.265 -3.027 1.00 12.34 H new ATOM 0 HB2 GLU A 43 -0.785 -11.258 -1.412 1.00 24.33 H new ATOM 0 HB3 GLU A 43 -1.815 -10.418 -0.270 1.00 24.33 H new ATOM 0 HG2 GLU A 43 -2.570 -13.130 -1.432 1.00 3.40 H new ATOM 0 HG3 GLU A 43 -1.567 -12.976 -0.003 1.00 3.40 H new ATOM 663 N GLN A 44 -5.068 -10.564 -2.293 1.00 14.50 N ATOM 664 CA GLN A 44 -6.442 -10.138 -1.967 1.00 12.34 C ATOM 665 C GLN A 44 -7.274 -11.318 -1.396 1.00 55.34 C ATOM 666 O GLN A 44 -7.696 -12.221 -2.126 1.00 24.30 O ATOM 667 CB GLN A 44 -7.109 -9.486 -3.220 1.00 21.50 C ATOM 668 CG GLN A 44 -7.074 -10.325 -4.521 1.00 54.13 C ATOM 669 CD GLN A 44 -7.676 -9.609 -5.742 1.00 44.25 C ATOM 670 OE1 GLN A 44 -7.623 -8.389 -5.861 1.00 61.40 O ATOM 671 NE2 GLN A 44 -8.249 -10.360 -6.664 1.00 1.33 N ATOM 0 H GLN A 44 -5.024 -11.376 -2.908 1.00 14.50 H new ATOM 0 HA GLN A 44 -6.404 -9.382 -1.182 1.00 12.34 H new ATOM 0 HB2 GLN A 44 -8.149 -9.267 -2.980 1.00 21.50 H new ATOM 0 HB3 GLN A 44 -6.618 -8.532 -3.413 1.00 21.50 H new ATOM 0 HG2 GLN A 44 -6.040 -10.592 -4.742 1.00 54.13 H new ATOM 0 HG3 GLN A 44 -7.615 -11.257 -4.355 1.00 54.13 H new ATOM 0 HE21 GLN A 44 -8.283 -11.373 -6.548 1.00 1.33 H new ATOM 0 HE22 GLN A 44 -8.657 -9.928 -7.493 1.00 1.33 H new ATOM 680 N ALA A 45 -7.456 -11.309 -0.066 1.00 45.33 N ATOM 681 CA ALA A 45 -8.251 -12.319 0.674 1.00 72.02 C ATOM 682 C ALA A 45 -9.668 -11.798 1.033 1.00 44.12 C ATOM 683 O ALA A 45 -10.478 -12.534 1.605 1.00 2.04 O ATOM 684 CB ALA A 45 -7.477 -12.728 1.939 1.00 33.24 C ATOM 0 H ALA A 45 -7.053 -10.594 0.539 1.00 45.33 H new ATOM 0 HA ALA A 45 -8.397 -13.188 0.032 1.00 72.02 H new ATOM 0 HB1 ALA A 45 -8.051 -13.471 2.493 1.00 33.24 H new ATOM 0 HB2 ALA A 45 -6.514 -13.152 1.655 1.00 33.24 H new ATOM 0 HB3 ALA A 45 -7.317 -11.852 2.567 1.00 33.24 H new ATOM 690 N GLY A 46 -9.952 -10.527 0.679 1.00 40.23 N ATOM 691 CA GLY A 46 -11.228 -9.865 0.999 1.00 1.44 C ATOM 692 C GLY A 46 -11.022 -8.715 1.989 1.00 53.33 C ATOM 693 O GLY A 46 -10.601 -7.623 1.591 1.00 2.30 O ATOM 0 H GLY A 46 -9.302 -9.934 0.164 1.00 40.23 H new ATOM 0 HA2 GLY A 46 -11.682 -9.484 0.084 1.00 1.44 H new ATOM 0 HA3 GLY A 46 -11.922 -10.592 1.421 1.00 1.44 H new ATOM 697 N ALA A 47 -11.293 -8.975 3.285 1.00 63.43 N ATOM 698 CA ALA A 47 -11.030 -8.004 4.374 1.00 4.22 C ATOM 699 C ALA A 47 -9.507 -7.795 4.599 1.00 74.33 C ATOM 700 O ALA A 47 -9.065 -6.698 4.966 1.00 24.21 O ATOM 701 CB ALA A 47 -11.713 -8.472 5.669 1.00 3.04 C ATOM 0 H ALA A 47 -11.697 -9.855 3.607 1.00 63.43 H new ATOM 0 HA ALA A 47 -11.448 -7.042 4.079 1.00 4.22 H new ATOM 0 HB1 ALA A 47 -11.515 -7.754 6.465 1.00 3.04 H new ATOM 0 HB2 ALA A 47 -12.788 -8.547 5.507 1.00 3.04 H new ATOM 0 HB3 ALA A 47 -11.320 -9.448 5.955 1.00 3.04 H new ATOM 707 N ARG A 48 -8.717 -8.874 4.379 1.00 44.52 N ATOM 708 CA ARG A 48 -7.241 -8.808 4.399 1.00 14.01 C ATOM 709 C ARG A 48 -6.707 -8.471 2.993 1.00 43.11 C ATOM 710 O ARG A 48 -6.898 -9.240 2.041 1.00 2.31 O ATOM 711 CB ARG A 48 -6.603 -10.144 4.880 1.00 1.41 C ATOM 712 CG ARG A 48 -5.051 -10.091 5.011 1.00 50.43 C ATOM 713 CD ARG A 48 -4.414 -11.479 5.223 1.00 32.32 C ATOM 714 NE ARG A 48 -4.523 -12.321 4.021 1.00 1.02 N ATOM 715 CZ ARG A 48 -4.380 -13.625 3.972 1.00 53.42 C ATOM 716 NH1 ARG A 48 -4.152 -14.334 5.034 1.00 34.44 N ATOM 717 NH2 ARG A 48 -4.466 -14.216 2.832 1.00 35.45 N ATOM 0 H ARG A 48 -9.084 -9.806 4.185 1.00 44.52 H new ATOM 0 HA ARG A 48 -6.963 -8.025 5.105 1.00 14.01 H new ATOM 0 HB2 ARG A 48 -7.030 -10.412 5.846 1.00 1.41 H new ATOM 0 HB3 ARG A 48 -6.872 -10.936 4.181 1.00 1.41 H new ATOM 0 HG2 ARG A 48 -4.632 -9.639 4.112 1.00 50.43 H new ATOM 0 HG3 ARG A 48 -4.785 -9.444 5.847 1.00 50.43 H new ATOM 0 HD2 ARG A 48 -3.364 -11.360 5.489 1.00 32.32 H new ATOM 0 HD3 ARG A 48 -4.901 -11.978 6.061 1.00 32.32 H new ATOM 0 HE ARG A 48 -4.729 -11.846 3.142 1.00 1.02 H new ATOM 0 HH11 ARG A 48 -4.079 -13.880 5.944 1.00 34.44 H new ATOM 0 HH12 ARG A 48 -4.046 -15.346 4.959 1.00 34.44 H new ATOM 0 HH21 ARG A 48 -4.642 -13.672 1.987 1.00 35.45 H new ATOM 0 HH22 ARG A 48 -4.358 -15.229 2.773 1.00 35.45 H new ATOM 731 N GLN A 49 -6.066 -7.306 2.864 1.00 62.14 N ATOM 732 CA GLN A 49 -5.328 -6.907 1.649 1.00 2.40 C ATOM 733 C GLN A 49 -3.829 -6.801 1.970 1.00 43.13 C ATOM 734 O GLN A 49 -3.461 -6.362 3.055 1.00 75.44 O ATOM 735 CB GLN A 49 -5.857 -5.549 1.124 1.00 33.05 C ATOM 736 CG GLN A 49 -7.328 -5.548 0.690 1.00 24.12 C ATOM 737 CD GLN A 49 -7.623 -6.515 -0.463 1.00 1.34 C ATOM 738 OE1 GLN A 49 -7.454 -6.175 -1.629 1.00 32.53 O ATOM 739 NE2 GLN A 49 -8.100 -7.705 -0.156 1.00 64.01 N ATOM 0 H GLN A 49 -6.041 -6.603 3.603 1.00 62.14 H new ATOM 0 HA GLN A 49 -5.478 -7.661 0.876 1.00 2.40 H new ATOM 0 HB2 GLN A 49 -5.724 -4.799 1.904 1.00 33.05 H new ATOM 0 HB3 GLN A 49 -5.244 -5.241 0.277 1.00 33.05 H new ATOM 0 HG2 GLN A 49 -7.951 -5.812 1.544 1.00 24.12 H new ATOM 0 HG3 GLN A 49 -7.610 -4.539 0.389 1.00 24.12 H new ATOM 0 HE21 GLN A 49 -8.232 -7.965 0.821 1.00 64.01 H new ATOM 0 HE22 GLN A 49 -8.337 -8.366 -0.896 1.00 64.01 H new ATOM 748 N VAL A 50 -2.964 -7.227 1.040 1.00 61.11 N ATOM 749 CA VAL A 50 -1.497 -7.134 1.198 1.00 42.33 C ATOM 750 C VAL A 50 -0.860 -6.519 -0.069 1.00 22.03 C ATOM 751 O VAL A 50 -0.865 -7.130 -1.143 1.00 22.30 O ATOM 752 CB VAL A 50 -0.837 -8.538 1.506 1.00 73.14 C ATOM 753 CG1 VAL A 50 0.705 -8.426 1.622 1.00 45.25 C ATOM 754 CG2 VAL A 50 -1.437 -9.184 2.783 1.00 32.43 C ATOM 0 H VAL A 50 -3.255 -7.646 0.157 1.00 61.11 H new ATOM 0 HA VAL A 50 -1.306 -6.487 2.054 1.00 42.33 H new ATOM 0 HB VAL A 50 -1.066 -9.190 0.663 1.00 73.14 H new ATOM 0 HG11 VAL A 50 1.126 -9.409 1.834 1.00 45.25 H new ATOM 0 HG12 VAL A 50 1.114 -8.050 0.684 1.00 45.25 H new ATOM 0 HG13 VAL A 50 0.960 -7.740 2.430 1.00 45.25 H new ATOM 0 HG21 VAL A 50 -0.959 -10.147 2.963 1.00 32.43 H new ATOM 0 HG22 VAL A 50 -1.265 -8.529 3.637 1.00 32.43 H new ATOM 0 HG23 VAL A 50 -2.509 -9.330 2.648 1.00 32.43 H new ATOM 764 N LEU A 51 -0.338 -5.285 0.071 1.00 24.35 N ATOM 765 CA LEU A 51 0.442 -4.599 -0.984 1.00 22.23 C ATOM 766 C LEU A 51 1.927 -4.536 -0.567 1.00 43.42 C ATOM 767 O LEU A 51 2.289 -3.855 0.396 1.00 75.51 O ATOM 768 CB LEU A 51 -0.160 -3.179 -1.275 1.00 54.04 C ATOM 769 CG LEU A 51 0.587 -2.205 -2.287 1.00 63.05 C ATOM 770 CD1 LEU A 51 1.676 -1.359 -1.592 1.00 44.44 C ATOM 771 CD2 LEU A 51 1.176 -2.970 -3.499 1.00 3.40 C ATOM 0 H LEU A 51 -0.444 -4.732 0.921 1.00 24.35 H new ATOM 0 HA LEU A 51 0.382 -5.162 -1.915 1.00 22.23 H new ATOM 0 HB2 LEU A 51 -1.174 -3.324 -1.649 1.00 54.04 H new ATOM 0 HB3 LEU A 51 -0.244 -2.658 -0.321 1.00 54.04 H new ATOM 0 HG LEU A 51 -0.171 -1.518 -2.661 1.00 63.05 H new ATOM 0 HD11 LEU A 51 2.156 -0.711 -2.325 1.00 44.44 H new ATOM 0 HD12 LEU A 51 1.220 -0.749 -0.812 1.00 44.44 H new ATOM 0 HD13 LEU A 51 2.421 -2.019 -1.148 1.00 44.44 H new ATOM 0 HD21 LEU A 51 1.677 -2.267 -4.164 1.00 3.40 H new ATOM 0 HD22 LEU A 51 1.894 -3.711 -3.148 1.00 3.40 H new ATOM 0 HD23 LEU A 51 0.372 -3.471 -4.039 1.00 3.40 H new ATOM 783 N ARG A 52 2.774 -5.273 -1.295 1.00 61.21 N ATOM 784 CA ARG A 52 4.239 -5.188 -1.154 1.00 2.13 C ATOM 785 C ARG A 52 4.857 -4.317 -2.266 1.00 33.23 C ATOM 786 O ARG A 52 4.459 -4.414 -3.423 1.00 54.45 O ATOM 787 CB ARG A 52 4.885 -6.595 -1.175 1.00 31.12 C ATOM 788 CG ARG A 52 4.622 -7.442 0.083 1.00 34.34 C ATOM 789 CD ARG A 52 5.444 -8.746 0.094 1.00 14.15 C ATOM 790 NE ARG A 52 5.490 -9.362 1.432 1.00 43.43 N ATOM 791 CZ ARG A 52 6.577 -9.548 2.155 1.00 41.40 C ATOM 792 NH1 ARG A 52 7.745 -9.161 1.743 1.00 55.13 N ATOM 793 NH2 ARG A 52 6.477 -10.110 3.309 1.00 21.23 N ATOM 0 H ARG A 52 2.467 -5.945 -1.998 1.00 61.21 H new ATOM 0 HA ARG A 52 4.443 -4.722 -0.190 1.00 2.13 H new ATOM 0 HB2 ARG A 52 4.515 -7.137 -2.045 1.00 31.12 H new ATOM 0 HB3 ARG A 52 5.962 -6.484 -1.303 1.00 31.12 H new ATOM 0 HG2 ARG A 52 4.863 -6.856 0.970 1.00 34.34 H new ATOM 0 HG3 ARG A 52 3.561 -7.684 0.140 1.00 34.34 H new ATOM 0 HD2 ARG A 52 5.012 -9.452 -0.615 1.00 14.15 H new ATOM 0 HD3 ARG A 52 6.459 -8.537 -0.243 1.00 14.15 H new ATOM 0 HE ARG A 52 4.605 -9.671 1.833 1.00 43.43 H new ATOM 0 HH11 ARG A 52 7.840 -8.700 0.838 1.00 55.13 H new ATOM 0 HH12 ARG A 52 8.569 -9.318 2.324 1.00 55.13 H new ATOM 0 HH21 ARG A 52 5.564 -10.406 3.655 1.00 21.23 H new ATOM 0 HH22 ARG A 52 7.311 -10.259 3.877 1.00 21.23 H new ATOM 807 N VAL A 53 5.821 -3.456 -1.889 1.00 22.25 N ATOM 808 CA VAL A 53 6.683 -2.720 -2.846 1.00 33.14 C ATOM 809 C VAL A 53 8.168 -2.955 -2.483 1.00 24.02 C ATOM 810 O VAL A 53 8.694 -2.342 -1.544 1.00 23.32 O ATOM 811 CB VAL A 53 6.388 -1.163 -2.884 1.00 55.21 C ATOM 812 CG1 VAL A 53 7.350 -0.434 -3.860 1.00 2.31 C ATOM 813 CG2 VAL A 53 4.911 -0.865 -3.252 1.00 40.14 C ATOM 0 H VAL A 53 6.028 -3.248 -0.912 1.00 22.25 H new ATOM 0 HA VAL A 53 6.459 -3.108 -3.840 1.00 33.14 H new ATOM 0 HB VAL A 53 6.563 -0.780 -1.878 1.00 55.21 H new ATOM 0 HG11 VAL A 53 7.124 0.632 -3.865 1.00 2.31 H new ATOM 0 HG12 VAL A 53 8.380 -0.585 -3.536 1.00 2.31 H new ATOM 0 HG13 VAL A 53 7.223 -0.837 -4.865 1.00 2.31 H new ATOM 0 HG21 VAL A 53 4.750 0.213 -3.267 1.00 40.14 H new ATOM 0 HG22 VAL A 53 4.691 -1.279 -4.236 1.00 40.14 H new ATOM 0 HG23 VAL A 53 4.253 -1.320 -2.512 1.00 40.14 H new ATOM 823 N GLN A 54 8.826 -3.873 -3.210 1.00 1.04 N ATOM 824 CA GLN A 54 10.274 -4.118 -3.058 1.00 65.33 C ATOM 825 C GLN A 54 11.072 -2.972 -3.724 1.00 32.44 C ATOM 826 O GLN A 54 10.857 -2.665 -4.899 1.00 2.44 O ATOM 827 CB GLN A 54 10.669 -5.493 -3.662 1.00 21.10 C ATOM 828 CG GLN A 54 12.157 -5.866 -3.466 1.00 54.32 C ATOM 829 CD GLN A 54 12.546 -7.220 -4.063 1.00 4.23 C ATOM 830 OE1 GLN A 54 11.735 -8.131 -4.152 1.00 13.45 O ATOM 831 NE2 GLN A 54 13.792 -7.367 -4.471 1.00 51.35 N ATOM 0 H GLN A 54 8.378 -4.461 -3.912 1.00 1.04 H new ATOM 0 HA GLN A 54 10.517 -4.142 -1.996 1.00 65.33 H new ATOM 0 HB2 GLN A 54 10.049 -6.267 -3.210 1.00 21.10 H new ATOM 0 HB3 GLN A 54 10.445 -5.487 -4.729 1.00 21.10 H new ATOM 0 HG2 GLN A 54 12.777 -5.091 -3.916 1.00 54.32 H new ATOM 0 HG3 GLN A 54 12.381 -5.874 -2.399 1.00 54.32 H new ATOM 0 HE21 GLN A 54 14.451 -6.593 -4.387 1.00 51.35 H new ATOM 0 HE22 GLN A 54 14.096 -8.255 -4.871 1.00 51.35 H new ATOM 840 N GLY A 55 11.986 -2.355 -2.952 1.00 34.12 N ATOM 841 CA GLY A 55 12.711 -1.155 -3.395 1.00 24.44 C ATOM 842 C GLY A 55 11.966 0.144 -3.084 1.00 4.11 C ATOM 843 O GLY A 55 12.086 1.129 -3.822 1.00 0.14 O ATOM 0 H GLY A 55 12.239 -2.671 -2.016 1.00 34.12 H new ATOM 0 HA2 GLY A 55 13.689 -1.130 -2.914 1.00 24.44 H new ATOM 0 HA3 GLY A 55 12.885 -1.219 -4.469 1.00 24.44 H new ATOM 847 N ALA A 56 11.179 0.123 -1.988 1.00 54.03 N ATOM 848 CA ALA A 56 10.457 1.302 -1.474 1.00 30.34 C ATOM 849 C ALA A 56 11.437 2.425 -1.039 1.00 61.52 C ATOM 850 O ALA A 56 12.061 2.326 0.028 1.00 12.14 O ATOM 851 CB ALA A 56 9.555 0.892 -0.296 1.00 2.13 C ATOM 0 H ALA A 56 11.027 -0.719 -1.432 1.00 54.03 H new ATOM 0 HA ALA A 56 9.839 1.698 -2.280 1.00 30.34 H new ATOM 0 HB1 ALA A 56 9.025 1.768 0.078 1.00 2.13 H new ATOM 0 HB2 ALA A 56 8.833 0.147 -0.632 1.00 2.13 H new ATOM 0 HB3 ALA A 56 10.167 0.470 0.501 1.00 2.13 H new ATOM 857 N ARG A 57 11.591 3.452 -1.911 1.00 13.25 N ATOM 858 CA ARG A 57 12.407 4.658 -1.633 1.00 44.10 C ATOM 859 C ARG A 57 12.257 5.674 -2.797 1.00 63.41 C ATOM 860 O ARG A 57 11.756 6.786 -2.604 1.00 14.33 O ATOM 861 CB ARG A 57 13.925 4.298 -1.414 1.00 55.14 C ATOM 862 CG ARG A 57 14.737 5.227 -0.457 1.00 31.01 C ATOM 863 CD ARG A 57 15.167 6.593 -1.050 1.00 54.23 C ATOM 864 NE ARG A 57 14.077 7.582 -1.120 1.00 32.54 N ATOM 865 CZ ARG A 57 14.218 8.852 -1.431 1.00 25.24 C ATOM 866 NH1 ARG A 57 15.386 9.383 -1.608 1.00 41.32 N ATOM 867 NH2 ARG A 57 13.169 9.595 -1.547 1.00 0.41 N ATOM 0 H ARG A 57 11.150 3.466 -2.831 1.00 13.25 H new ATOM 0 HA ARG A 57 12.041 5.106 -0.709 1.00 44.10 H new ATOM 0 HB2 ARG A 57 13.981 3.280 -1.028 1.00 55.14 H new ATOM 0 HB3 ARG A 57 14.418 4.297 -2.386 1.00 55.14 H new ATOM 0 HG2 ARG A 57 14.138 5.411 0.435 1.00 31.01 H new ATOM 0 HG3 ARG A 57 15.632 4.694 -0.136 1.00 31.01 H new ATOM 0 HD2 ARG A 57 15.977 7.002 -0.446 1.00 54.23 H new ATOM 0 HD3 ARG A 57 15.565 6.434 -2.052 1.00 54.23 H new ATOM 0 HE ARG A 57 13.134 7.254 -0.910 1.00 32.54 H new ATOM 0 HH11 ARG A 57 16.226 8.813 -1.507 1.00 41.32 H new ATOM 0 HH12 ARG A 57 15.466 10.371 -1.849 1.00 41.32 H new ATOM 0 HH21 ARG A 57 12.242 9.196 -1.398 1.00 0.41 H new ATOM 0 HH22 ARG A 57 13.267 10.581 -1.788 1.00 0.41 H new ATOM 881 N SER A 58 12.687 5.243 -4.008 1.00 32.34 N ATOM 882 CA SER A 58 12.866 6.125 -5.202 1.00 15.30 C ATOM 883 C SER A 58 11.595 6.936 -5.576 1.00 55.53 C ATOM 884 O SER A 58 11.645 8.167 -5.669 1.00 50.54 O ATOM 885 CB SER A 58 13.336 5.291 -6.415 1.00 23.21 C ATOM 886 OG SER A 58 14.541 4.592 -6.128 1.00 43.33 O ATOM 0 H SER A 58 12.923 4.268 -4.192 1.00 32.34 H new ATOM 0 HA SER A 58 13.628 6.855 -4.929 1.00 15.30 H new ATOM 0 HB2 SER A 58 12.558 4.580 -6.693 1.00 23.21 H new ATOM 0 HB3 SER A 58 13.489 5.947 -7.272 1.00 23.21 H new ATOM 0 HG SER A 58 14.813 4.072 -6.913 1.00 43.33 H new ATOM 892 N GLY A 59 10.467 6.237 -5.786 1.00 30.35 N ATOM 893 CA GLY A 59 9.174 6.885 -6.095 1.00 34.30 C ATOM 894 C GLY A 59 8.016 6.324 -5.272 1.00 52.53 C ATOM 895 O GLY A 59 6.842 6.522 -5.614 1.00 70.34 O ATOM 0 H GLY A 59 10.421 5.219 -5.748 1.00 30.35 H new ATOM 0 HA2 GLY A 59 9.257 7.956 -5.912 1.00 34.30 H new ATOM 0 HA3 GLY A 59 8.954 6.759 -7.155 1.00 34.30 H new ATOM 899 N ASP A 60 8.348 5.626 -4.168 1.00 3.52 N ATOM 900 CA ASP A 60 7.356 5.017 -3.262 1.00 61.23 C ATOM 901 C ASP A 60 7.583 5.474 -1.811 1.00 3.31 C ATOM 902 O ASP A 60 8.386 4.888 -1.087 1.00 13.53 O ATOM 903 CB ASP A 60 7.384 3.472 -3.379 1.00 61.21 C ATOM 904 CG ASP A 60 6.833 2.991 -4.726 1.00 52.14 C ATOM 905 OD1 ASP A 60 5.591 2.887 -4.856 1.00 55.33 O ATOM 906 OD2 ASP A 60 7.629 2.738 -5.654 1.00 22.10 O ATOM 0 H ASP A 60 9.314 5.469 -3.880 1.00 3.52 H new ATOM 0 HA ASP A 60 6.365 5.356 -3.562 1.00 61.23 H new ATOM 0 HB2 ASP A 60 8.407 3.117 -3.258 1.00 61.21 H new ATOM 0 HB3 ASP A 60 6.798 3.036 -2.570 1.00 61.21 H new ATOM 911 N ALA A 61 6.905 6.579 -1.446 1.00 1.42 N ATOM 912 CA ALA A 61 6.860 7.117 -0.069 1.00 14.13 C ATOM 913 C ALA A 61 5.721 8.152 0.039 1.00 64.42 C ATOM 914 O ALA A 61 5.950 9.354 0.242 1.00 23.41 O ATOM 915 CB ALA A 61 8.216 7.732 0.328 1.00 30.40 C ATOM 0 H ALA A 61 6.364 7.133 -2.109 1.00 1.42 H new ATOM 0 HA ALA A 61 6.661 6.302 0.627 1.00 14.13 H new ATOM 0 HB1 ALA A 61 8.156 8.120 1.345 1.00 30.40 H new ATOM 0 HB2 ALA A 61 8.991 6.967 0.277 1.00 30.40 H new ATOM 0 HB3 ALA A 61 8.462 8.544 -0.356 1.00 30.40 H new ATOM 921 N GLY A 62 4.483 7.667 -0.122 1.00 1.43 N ATOM 922 CA GLY A 62 3.302 8.539 -0.170 1.00 42.12 C ATOM 923 C GLY A 62 2.020 7.842 0.270 1.00 72.33 C ATOM 924 O GLY A 62 2.059 6.885 1.053 1.00 53.44 O ATOM 0 H GLY A 62 4.273 6.674 -0.221 1.00 1.43 H new ATOM 0 HA2 GLY A 62 3.473 9.406 0.468 1.00 42.12 H new ATOM 0 HA3 GLY A 62 3.175 8.911 -1.187 1.00 42.12 H new ATOM 928 N GLU A 63 0.879 8.330 -0.240 1.00 14.12 N ATOM 929 CA GLU A 63 -0.452 7.800 0.119 1.00 71.12 C ATOM 930 C GLU A 63 -0.800 6.546 -0.712 1.00 1.44 C ATOM 931 O GLU A 63 -0.692 6.553 -1.933 1.00 43.35 O ATOM 932 CB GLU A 63 -1.524 8.895 -0.093 1.00 74.54 C ATOM 933 CG GLU A 63 -1.325 10.157 0.777 1.00 12.51 C ATOM 934 CD GLU A 63 -2.277 11.297 0.395 1.00 50.31 C ATOM 935 OE1 GLU A 63 -1.962 12.045 -0.560 1.00 22.02 O ATOM 936 OE2 GLU A 63 -3.354 11.432 1.015 1.00 64.03 O ATOM 0 H GLU A 63 0.849 9.099 -0.910 1.00 14.12 H new ATOM 0 HA GLU A 63 -0.432 7.509 1.169 1.00 71.12 H new ATOM 0 HB2 GLU A 63 -1.524 9.188 -1.143 1.00 74.54 H new ATOM 0 HB3 GLU A 63 -2.506 8.472 0.120 1.00 74.54 H new ATOM 0 HG2 GLU A 63 -1.477 9.898 1.825 1.00 12.51 H new ATOM 0 HG3 GLU A 63 -0.295 10.501 0.680 1.00 12.51 H new ATOM 943 N TYR A 64 -1.193 5.467 -0.028 1.00 21.12 N ATOM 944 CA TYR A 64 -1.704 4.232 -0.654 1.00 3.11 C ATOM 945 C TYR A 64 -3.180 4.036 -0.252 1.00 45.35 C ATOM 946 O TYR A 64 -3.480 3.692 0.893 1.00 64.54 O ATOM 947 CB TYR A 64 -0.859 3.009 -0.219 1.00 51.31 C ATOM 948 CG TYR A 64 0.589 2.992 -0.736 1.00 4.10 C ATOM 949 CD1 TYR A 64 1.586 3.795 -0.164 1.00 41.13 C ATOM 950 CD2 TYR A 64 0.967 2.148 -1.783 1.00 22.01 C ATOM 951 CE1 TYR A 64 2.888 3.749 -0.615 1.00 12.11 C ATOM 952 CE2 TYR A 64 2.271 2.097 -2.229 1.00 52.32 C ATOM 953 CZ TYR A 64 3.227 2.898 -1.641 1.00 24.54 C ATOM 954 OH TYR A 64 4.525 2.850 -2.080 1.00 65.32 O ATOM 0 H TYR A 64 -1.167 5.421 0.991 1.00 21.12 H new ATOM 0 HA TYR A 64 -1.631 4.322 -1.738 1.00 3.11 H new ATOM 0 HB2 TYR A 64 -0.839 2.971 0.870 1.00 51.31 H new ATOM 0 HB3 TYR A 64 -1.360 2.103 -0.560 1.00 51.31 H new ATOM 0 HD1 TYR A 64 1.329 4.462 0.645 1.00 41.13 H new ATOM 0 HD2 TYR A 64 0.223 1.522 -2.253 1.00 22.01 H new ATOM 0 HE1 TYR A 64 3.640 4.380 -0.164 1.00 12.11 H new ATOM 0 HE2 TYR A 64 2.542 1.432 -3.036 1.00 52.32 H new ATOM 0 HH TYR A 64 4.540 2.863 -3.060 1.00 65.32 H new ATOM 964 N LEU A 65 -4.099 4.250 -1.195 1.00 14.42 N ATOM 965 CA LEU A 65 -5.541 4.206 -0.926 1.00 71.44 C ATOM 966 C LEU A 65 -6.100 2.785 -1.182 1.00 30.43 C ATOM 967 O LEU A 65 -6.317 2.375 -2.330 1.00 72.22 O ATOM 968 CB LEU A 65 -6.263 5.258 -1.810 1.00 1.14 C ATOM 969 CG LEU A 65 -7.802 5.409 -1.592 1.00 13.05 C ATOM 970 CD1 LEU A 65 -8.123 5.853 -0.148 1.00 0.14 C ATOM 971 CD2 LEU A 65 -8.415 6.386 -2.618 1.00 55.32 C ATOM 0 H LEU A 65 -3.867 4.459 -2.166 1.00 14.42 H new ATOM 0 HA LEU A 65 -5.720 4.446 0.122 1.00 71.44 H new ATOM 0 HB2 LEU A 65 -5.797 6.228 -1.637 1.00 1.14 H new ATOM 0 HB3 LEU A 65 -6.089 5.003 -2.855 1.00 1.14 H new ATOM 0 HG LEU A 65 -8.254 4.430 -1.747 1.00 13.05 H new ATOM 0 HD11 LEU A 65 -9.202 5.949 -0.028 1.00 0.14 H new ATOM 0 HD12 LEU A 65 -7.745 5.110 0.554 1.00 0.14 H new ATOM 0 HD13 LEU A 65 -7.649 6.814 0.051 1.00 0.14 H new ATOM 0 HD21 LEU A 65 -9.487 6.472 -2.443 1.00 55.32 H new ATOM 0 HD22 LEU A 65 -7.950 7.366 -2.510 1.00 55.32 H new ATOM 0 HD23 LEU A 65 -8.241 6.011 -3.627 1.00 55.32 H new ATOM 983 N CYS A 66 -6.283 2.030 -0.085 1.00 41.10 N ATOM 984 CA CYS A 66 -6.946 0.716 -0.104 1.00 52.45 C ATOM 985 C CYS A 66 -8.479 0.938 -0.120 1.00 71.44 C ATOM 986 O CYS A 66 -9.135 1.010 0.924 1.00 14.22 O ATOM 987 CB CYS A 66 -6.496 -0.100 1.130 1.00 31.30 C ATOM 988 SG CYS A 66 -6.991 -1.836 1.119 1.00 33.54 S ATOM 0 H CYS A 66 -5.973 2.316 0.844 1.00 41.10 H new ATOM 0 HA CYS A 66 -6.670 0.151 -0.994 1.00 52.45 H new ATOM 0 HB2 CYS A 66 -5.410 -0.048 1.205 1.00 31.30 H new ATOM 0 HB3 CYS A 66 -6.900 0.372 2.026 1.00 31.30 H new ATOM 0 HG CYS A 66 -5.962 -2.579 0.836 1.00 33.54 H new ATOM 994 N ASP A 67 -9.019 1.086 -1.336 1.00 35.14 N ATOM 995 CA ASP A 67 -10.403 1.541 -1.584 1.00 62.41 C ATOM 996 C ASP A 67 -11.410 0.362 -1.673 1.00 51.13 C ATOM 997 O ASP A 67 -11.565 -0.268 -2.726 1.00 30.10 O ATOM 998 CB ASP A 67 -10.418 2.398 -2.878 1.00 63.12 C ATOM 999 CG ASP A 67 -11.785 3.041 -3.160 1.00 44.11 C ATOM 1000 OD1 ASP A 67 -12.130 4.036 -2.485 1.00 13.54 O ATOM 1001 OD2 ASP A 67 -12.521 2.560 -4.044 1.00 74.31 O ATOM 0 H ASP A 67 -8.502 0.891 -2.193 1.00 35.14 H new ATOM 0 HA ASP A 67 -10.729 2.144 -0.737 1.00 62.41 H new ATOM 0 HB2 ASP A 67 -9.665 3.182 -2.796 1.00 63.12 H new ATOM 0 HB3 ASP A 67 -10.136 1.772 -3.725 1.00 63.12 H new ATOM 1006 N ALA A 68 -12.082 0.061 -0.544 1.00 34.44 N ATOM 1007 CA ALA A 68 -13.134 -0.982 -0.486 1.00 21.24 C ATOM 1008 C ALA A 68 -14.539 -0.388 -0.785 1.00 31.54 C ATOM 1009 O ALA A 68 -14.847 0.712 -0.303 1.00 53.31 O ATOM 1010 CB ALA A 68 -13.123 -1.672 0.888 1.00 13.22 C ATOM 0 H ALA A 68 -11.915 0.527 0.348 1.00 34.44 H new ATOM 0 HA ALA A 68 -12.916 -1.722 -1.256 1.00 21.24 H new ATOM 0 HB1 ALA A 68 -13.900 -2.436 0.918 1.00 13.22 H new ATOM 0 HB2 ALA A 68 -12.151 -2.137 1.054 1.00 13.22 H new ATOM 0 HB3 ALA A 68 -13.310 -0.933 1.668 1.00 13.22 H new ATOM 1016 N PRO A 69 -15.409 -1.113 -1.589 1.00 61.45 N ATOM 1017 CA PRO A 69 -16.829 -0.710 -1.852 1.00 71.40 C ATOM 1018 C PRO A 69 -17.670 -0.493 -0.567 1.00 24.15 C ATOM 1019 O PRO A 69 -18.613 0.304 -0.557 1.00 31.13 O ATOM 1020 CB PRO A 69 -17.389 -1.898 -2.683 1.00 62.34 C ATOM 1021 CG PRO A 69 -16.185 -2.470 -3.358 1.00 24.13 C ATOM 1022 CD PRO A 69 -15.060 -2.346 -2.348 1.00 1.05 C ATOM 0 HA PRO A 69 -16.877 0.254 -2.358 1.00 71.40 H new ATOM 0 HB2 PRO A 69 -17.877 -2.636 -2.046 1.00 62.34 H new ATOM 0 HB3 PRO A 69 -18.131 -1.563 -3.408 1.00 62.34 H new ATOM 0 HG2 PRO A 69 -16.349 -3.511 -3.638 1.00 24.13 H new ATOM 0 HG3 PRO A 69 -15.953 -1.926 -4.274 1.00 24.13 H new ATOM 0 HD2 PRO A 69 -15.008 -3.218 -1.696 1.00 1.05 H new ATOM 0 HD3 PRO A 69 -14.090 -2.256 -2.837 1.00 1.05 H new ATOM 1030 N GLN A 70 -17.322 -1.226 0.507 1.00 42.42 N ATOM 1031 CA GLN A 70 -17.936 -1.045 1.838 1.00 62.45 C ATOM 1032 C GLN A 70 -17.379 0.241 2.510 1.00 74.15 C ATOM 1033 O GLN A 70 -18.127 1.193 2.739 1.00 41.12 O ATOM 1034 CB GLN A 70 -17.688 -2.300 2.720 1.00 0.25 C ATOM 1035 CG GLN A 70 -18.291 -2.238 4.146 1.00 12.55 C ATOM 1036 CD GLN A 70 -19.822 -2.186 4.192 1.00 31.53 C ATOM 1037 OE1 GLN A 70 -20.509 -2.732 3.337 1.00 74.12 O ATOM 1038 NE2 GLN A 70 -20.370 -1.538 5.203 1.00 45.43 N ATOM 0 H GLN A 70 -16.611 -1.957 0.478 1.00 42.42 H new ATOM 0 HA GLN A 70 -19.014 -0.926 1.724 1.00 62.45 H new ATOM 0 HB2 GLN A 70 -18.098 -3.170 2.208 1.00 0.25 H new ATOM 0 HB3 GLN A 70 -16.613 -2.457 2.805 1.00 0.25 H new ATOM 0 HG2 GLN A 70 -17.954 -3.110 4.707 1.00 12.55 H new ATOM 0 HG3 GLN A 70 -17.896 -1.359 4.655 1.00 12.55 H new ATOM 0 HE21 GLN A 70 -19.778 -1.091 5.903 1.00 45.43 H new ATOM 0 HE22 GLN A 70 -21.385 -1.484 5.284 1.00 45.43 H new ATOM 1047 N ASP A 71 -16.055 0.269 2.799 1.00 31.32 N ATOM 1048 CA ASP A 71 -15.378 1.471 3.349 1.00 40.43 C ATOM 1049 C ASP A 71 -13.876 1.477 2.979 1.00 14.25 C ATOM 1050 O ASP A 71 -13.160 0.504 3.244 1.00 62.12 O ATOM 1051 CB ASP A 71 -15.552 1.557 4.888 1.00 33.11 C ATOM 1052 CG ASP A 71 -15.062 2.905 5.461 1.00 32.35 C ATOM 1053 OD1 ASP A 71 -15.764 3.919 5.278 1.00 52.41 O ATOM 1054 OD2 ASP A 71 -13.981 2.966 6.086 1.00 13.13 O ATOM 0 H ASP A 71 -15.433 -0.528 2.660 1.00 31.32 H new ATOM 0 HA ASP A 71 -15.849 2.347 2.902 1.00 40.43 H new ATOM 0 HB2 ASP A 71 -16.603 1.419 5.140 1.00 33.11 H new ATOM 0 HB3 ASP A 71 -15.001 0.743 5.359 1.00 33.11 H new ATOM 1059 N SER A 72 -13.414 2.597 2.395 1.00 32.24 N ATOM 1060 CA SER A 72 -12.017 2.781 1.932 1.00 23.13 C ATOM 1061 C SER A 72 -11.019 2.960 3.114 1.00 3.31 C ATOM 1062 O SER A 72 -11.421 2.978 4.281 1.00 72.43 O ATOM 1063 CB SER A 72 -11.968 3.999 0.980 1.00 72.43 C ATOM 1064 OG SER A 72 -10.684 4.179 0.409 1.00 14.31 O ATOM 0 H SER A 72 -14.003 3.412 2.227 1.00 32.24 H new ATOM 0 HA SER A 72 -11.705 1.880 1.404 1.00 23.13 H new ATOM 0 HB2 SER A 72 -12.702 3.867 0.185 1.00 72.43 H new ATOM 0 HB3 SER A 72 -12.250 4.898 1.528 1.00 72.43 H new ATOM 0 HG SER A 72 -10.770 4.292 -0.561 1.00 14.31 H new ATOM 1070 N ARG A 73 -9.711 3.085 2.799 1.00 30.11 N ATOM 1071 CA ARG A 73 -8.632 3.225 3.812 1.00 20.13 C ATOM 1072 C ARG A 73 -7.395 3.950 3.217 1.00 45.45 C ATOM 1073 O ARG A 73 -6.873 3.532 2.188 1.00 61.25 O ATOM 1074 CB ARG A 73 -8.227 1.817 4.341 1.00 33.23 C ATOM 1075 CG ARG A 73 -7.265 1.796 5.560 1.00 30.13 C ATOM 1076 CD ARG A 73 -7.946 2.146 6.909 1.00 44.45 C ATOM 1077 NE ARG A 73 -8.444 3.540 6.993 1.00 43.53 N ATOM 1078 CZ ARG A 73 -8.339 4.332 8.038 1.00 43.34 C ATOM 1079 NH1 ARG A 73 -7.758 3.942 9.123 1.00 44.25 N ATOM 1080 NH2 ARG A 73 -8.842 5.519 7.988 1.00 62.35 N ATOM 0 H ARG A 73 -9.370 3.092 1.838 1.00 30.11 H new ATOM 0 HA ARG A 73 -9.009 3.829 4.637 1.00 20.13 H new ATOM 0 HB2 ARG A 73 -9.135 1.278 4.611 1.00 33.23 H new ATOM 0 HB3 ARG A 73 -7.759 1.265 3.525 1.00 33.23 H new ATOM 0 HG2 ARG A 73 -6.816 0.806 5.638 1.00 30.13 H new ATOM 0 HG3 ARG A 73 -6.453 2.501 5.381 1.00 30.13 H new ATOM 0 HD2 ARG A 73 -8.780 1.463 7.070 1.00 44.45 H new ATOM 0 HD3 ARG A 73 -7.235 1.977 7.717 1.00 44.45 H new ATOM 0 HE ARG A 73 -8.909 3.918 6.168 1.00 43.53 H new ATOM 0 HH11 ARG A 73 -7.368 3.001 9.183 1.00 44.25 H new ATOM 0 HH12 ARG A 73 -7.689 4.575 9.920 1.00 44.25 H new ATOM 0 HH21 ARG A 73 -9.317 5.837 7.143 1.00 62.35 H new ATOM 0 HH22 ARG A 73 -8.765 6.140 8.794 1.00 62.35 H new ATOM 1094 N ILE A 74 -6.921 5.024 3.885 1.00 43.53 N ATOM 1095 CA ILE A 74 -5.755 5.822 3.416 1.00 54.51 C ATOM 1096 C ILE A 74 -4.485 5.400 4.198 1.00 61.31 C ATOM 1097 O ILE A 74 -4.476 5.454 5.429 1.00 35.41 O ATOM 1098 CB ILE A 74 -5.962 7.391 3.591 1.00 14.34 C ATOM 1099 CG1 ILE A 74 -7.225 7.931 2.816 1.00 21.11 C ATOM 1100 CG2 ILE A 74 -4.686 8.174 3.156 1.00 62.43 C ATOM 1101 CD1 ILE A 74 -8.580 7.567 3.410 1.00 75.44 C ATOM 0 H ILE A 74 -7.327 5.364 4.757 1.00 43.53 H new ATOM 0 HA ILE A 74 -5.647 5.619 2.350 1.00 54.51 H new ATOM 0 HB ILE A 74 -6.140 7.561 4.653 1.00 14.34 H new ATOM 0 HG12 ILE A 74 -7.155 9.017 2.760 1.00 21.11 H new ATOM 0 HG13 ILE A 74 -7.187 7.556 1.793 1.00 21.11 H new ATOM 0 HG21 ILE A 74 -4.854 9.243 3.285 1.00 62.43 H new ATOM 0 HG22 ILE A 74 -3.841 7.862 3.770 1.00 62.43 H new ATOM 0 HG23 ILE A 74 -4.470 7.965 2.108 1.00 62.43 H new ATOM 0 HD11 ILE A 74 -9.373 7.991 2.794 1.00 75.44 H new ATOM 0 HD12 ILE A 74 -8.685 6.482 3.440 1.00 75.44 H new ATOM 0 HD13 ILE A 74 -8.653 7.966 4.422 1.00 75.44 H new ATOM 1113 N PHE A 75 -3.422 4.983 3.484 1.00 31.32 N ATOM 1114 CA PHE A 75 -2.122 4.617 4.096 1.00 51.13 C ATOM 1115 C PHE A 75 -1.086 5.740 3.927 1.00 2.40 C ATOM 1116 O PHE A 75 -0.549 5.936 2.835 1.00 33.21 O ATOM 1117 CB PHE A 75 -1.564 3.288 3.505 1.00 32.32 C ATOM 1118 CG PHE A 75 -2.215 2.030 4.054 1.00 24.22 C ATOM 1119 CD1 PHE A 75 -3.492 1.647 3.647 1.00 4.03 C ATOM 1120 CD2 PHE A 75 -1.550 1.242 4.992 1.00 5.41 C ATOM 1121 CE1 PHE A 75 -4.078 0.513 4.163 1.00 74.44 C ATOM 1122 CE2 PHE A 75 -2.139 0.112 5.508 1.00 74.24 C ATOM 1123 CZ PHE A 75 -3.399 -0.253 5.094 1.00 14.15 C ATOM 0 H PHE A 75 -3.436 4.889 2.468 1.00 31.32 H new ATOM 0 HA PHE A 75 -2.305 4.470 5.160 1.00 51.13 H new ATOM 0 HB2 PHE A 75 -1.692 3.305 2.423 1.00 32.32 H new ATOM 0 HB3 PHE A 75 -0.492 3.241 3.699 1.00 32.32 H new ATOM 0 HD1 PHE A 75 -4.025 2.244 2.922 1.00 4.03 H new ATOM 0 HD2 PHE A 75 -0.559 1.523 5.318 1.00 5.41 H new ATOM 0 HE1 PHE A 75 -5.067 0.222 3.841 1.00 74.44 H new ATOM 0 HE2 PHE A 75 -1.614 -0.488 6.237 1.00 74.24 H new ATOM 0 HZ PHE A 75 -3.861 -1.142 5.498 1.00 14.15 H new ATOM 1133 N LEU A 76 -0.811 6.476 5.015 1.00 30.41 N ATOM 1134 CA LEU A 76 0.313 7.422 5.063 1.00 75.34 C ATOM 1135 C LEU A 76 1.620 6.624 5.236 1.00 50.00 C ATOM 1136 O LEU A 76 1.985 6.244 6.355 1.00 45.43 O ATOM 1137 CB LEU A 76 0.133 8.440 6.224 1.00 55.53 C ATOM 1138 CG LEU A 76 -1.132 9.347 6.147 1.00 51.20 C ATOM 1139 CD1 LEU A 76 -1.227 10.281 7.375 1.00 75.11 C ATOM 1140 CD2 LEU A 76 -1.177 10.153 4.819 1.00 31.13 C ATOM 0 H LEU A 76 -1.355 6.433 5.877 1.00 30.41 H new ATOM 0 HA LEU A 76 0.349 7.991 4.134 1.00 75.34 H new ATOM 0 HB2 LEU A 76 0.103 7.888 7.163 1.00 55.53 H new ATOM 0 HB3 LEU A 76 1.014 9.081 6.259 1.00 55.53 H new ATOM 0 HG LEU A 76 -2.004 8.693 6.160 1.00 51.20 H new ATOM 0 HD11 LEU A 76 -2.120 10.901 7.292 1.00 75.11 H new ATOM 0 HD12 LEU A 76 -1.284 9.682 8.284 1.00 75.11 H new ATOM 0 HD13 LEU A 76 -0.344 10.919 7.416 1.00 75.11 H new ATOM 0 HD21 LEU A 76 -2.073 10.774 4.800 1.00 31.13 H new ATOM 0 HD22 LEU A 76 -0.294 10.788 4.749 1.00 31.13 H new ATOM 0 HD23 LEU A 76 -1.196 9.463 3.975 1.00 31.13 H new ATOM 1152 N VAL A 77 2.274 6.309 4.111 1.00 3.40 N ATOM 1153 CA VAL A 77 3.553 5.579 4.107 1.00 24.24 C ATOM 1154 C VAL A 77 4.727 6.551 3.936 1.00 71.45 C ATOM 1155 O VAL A 77 4.867 7.197 2.893 1.00 21.02 O ATOM 1156 CB VAL A 77 3.593 4.465 2.997 1.00 65.30 C ATOM 1157 CG1 VAL A 77 4.988 3.782 2.908 1.00 3.31 C ATOM 1158 CG2 VAL A 77 2.478 3.418 3.250 1.00 51.03 C ATOM 0 H VAL A 77 1.935 6.551 3.180 1.00 3.40 H new ATOM 0 HA VAL A 77 3.645 5.080 5.072 1.00 24.24 H new ATOM 0 HB VAL A 77 3.413 4.946 2.036 1.00 65.30 H new ATOM 0 HG11 VAL A 77 4.971 3.020 2.129 1.00 3.31 H new ATOM 0 HG12 VAL A 77 5.744 4.529 2.668 1.00 3.31 H new ATOM 0 HG13 VAL A 77 5.228 3.318 3.865 1.00 3.31 H new ATOM 0 HG21 VAL A 77 2.516 2.652 2.475 1.00 51.03 H new ATOM 0 HG22 VAL A 77 2.628 2.955 4.225 1.00 51.03 H new ATOM 0 HG23 VAL A 77 1.505 3.910 3.227 1.00 51.03 H new ATOM 1168 N SER A 78 5.562 6.652 4.974 1.00 61.51 N ATOM 1169 CA SER A 78 6.751 7.517 4.970 1.00 53.55 C ATOM 1170 C SER A 78 8.033 6.658 4.993 1.00 4.43 C ATOM 1171 O SER A 78 8.355 6.011 5.998 1.00 2.15 O ATOM 1172 CB SER A 78 6.705 8.487 6.175 1.00 2.23 C ATOM 1173 OG SER A 78 6.606 7.793 7.407 1.00 41.54 O ATOM 0 H SER A 78 5.434 6.136 5.844 1.00 61.51 H new ATOM 0 HA SER A 78 6.760 8.111 4.056 1.00 53.55 H new ATOM 0 HB2 SER A 78 7.602 9.106 6.178 1.00 2.23 H new ATOM 0 HB3 SER A 78 5.854 9.160 6.068 1.00 2.23 H new ATOM 0 HG SER A 78 7.155 6.982 7.371 1.00 41.54 H new ATOM 1179 N VAL A 79 8.753 6.630 3.859 1.00 24.20 N ATOM 1180 CA VAL A 79 10.052 5.944 3.761 1.00 61.20 C ATOM 1181 C VAL A 79 11.166 6.949 4.100 1.00 31.02 C ATOM 1182 O VAL A 79 11.482 7.836 3.289 1.00 75.13 O ATOM 1183 CB VAL A 79 10.286 5.331 2.330 1.00 70.22 C ATOM 1184 CG1 VAL A 79 11.619 4.547 2.266 1.00 25.41 C ATOM 1185 CG2 VAL A 79 9.091 4.443 1.913 1.00 70.21 C ATOM 0 H VAL A 79 8.455 7.078 2.992 1.00 24.20 H new ATOM 0 HA VAL A 79 10.063 5.114 4.468 1.00 61.20 H new ATOM 0 HB VAL A 79 10.358 6.154 1.619 1.00 70.22 H new ATOM 0 HG11 VAL A 79 11.752 4.136 1.265 1.00 25.41 H new ATOM 0 HG12 VAL A 79 12.447 5.218 2.496 1.00 25.41 H new ATOM 0 HG13 VAL A 79 11.598 3.734 2.992 1.00 25.41 H new ATOM 0 HG21 VAL A 79 9.274 4.030 0.921 1.00 70.21 H new ATOM 0 HG22 VAL A 79 8.975 3.630 2.629 1.00 70.21 H new ATOM 0 HG23 VAL A 79 8.181 5.043 1.894 1.00 70.21 H new ATOM 1195 N GLU A 80 11.749 6.801 5.299 1.00 62.33 N ATOM 1196 CA GLU A 80 12.700 7.788 5.871 1.00 52.10 C ATOM 1197 C GLU A 80 13.229 7.331 7.239 1.00 62.02 C ATOM 1198 O GLU A 80 14.331 7.719 7.639 1.00 72.44 O ATOM 1199 CB GLU A 80 12.031 9.195 6.005 1.00 70.20 C ATOM 1200 CG GLU A 80 10.754 9.219 6.874 1.00 31.15 C ATOM 1201 CD GLU A 80 10.018 10.566 6.826 1.00 21.23 C ATOM 1202 OE1 GLU A 80 9.322 10.830 5.824 1.00 15.23 O ATOM 1203 OE2 GLU A 80 10.125 11.363 7.786 1.00 60.15 O ATOM 0 H GLU A 80 11.580 5.998 5.905 1.00 62.33 H new ATOM 0 HA GLU A 80 13.542 7.860 5.183 1.00 52.10 H new ATOM 0 HB2 GLU A 80 12.757 9.889 6.429 1.00 70.20 H new ATOM 0 HB3 GLU A 80 11.784 9.562 5.009 1.00 70.20 H new ATOM 0 HG2 GLU A 80 10.079 8.431 6.540 1.00 31.15 H new ATOM 0 HG3 GLU A 80 11.020 8.994 7.907 1.00 31.15 H new ATOM 1210 N GLU A 81 12.409 6.530 7.958 1.00 51.54 N ATOM 1211 CA GLU A 81 12.777 5.937 9.262 1.00 54.12 C ATOM 1212 C GLU A 81 13.947 4.926 9.076 1.00 52.54 C ATOM 1213 O GLU A 81 13.728 3.801 8.611 1.00 23.54 O ATOM 1214 CB GLU A 81 11.516 5.265 9.884 1.00 53.14 C ATOM 1215 CG GLU A 81 11.693 4.698 11.312 1.00 3.50 C ATOM 1216 CD GLU A 81 10.367 4.210 11.940 1.00 32.22 C ATOM 1217 OE1 GLU A 81 9.932 3.080 11.646 1.00 74.34 O ATOM 1218 OE2 GLU A 81 9.743 4.966 12.716 1.00 21.25 O ATOM 0 H GLU A 81 11.471 6.277 7.648 1.00 51.54 H new ATOM 0 HA GLU A 81 13.126 6.710 9.947 1.00 54.12 H new ATOM 0 HB2 GLU A 81 10.708 5.997 9.901 1.00 53.14 H new ATOM 0 HB3 GLU A 81 11.198 4.455 9.228 1.00 53.14 H new ATOM 0 HG2 GLU A 81 12.400 3.869 11.282 1.00 3.50 H new ATOM 0 HG3 GLU A 81 12.129 5.467 11.950 1.00 3.50 H new ATOM 1225 N PRO A 82 15.220 5.328 9.414 1.00 24.01 N ATOM 1226 CA PRO A 82 16.437 4.590 8.992 1.00 44.20 C ATOM 1227 C PRO A 82 16.719 3.293 9.825 1.00 23.33 C ATOM 1228 O PRO A 82 16.558 2.183 9.272 1.00 36.28 O ATOM 1229 CB PRO A 82 17.549 5.664 9.141 1.00 25.14 C ATOM 1230 CG PRO A 82 17.084 6.555 10.258 1.00 74.34 C ATOM 1231 CD PRO A 82 15.562 6.514 10.251 1.00 14.50 C ATOM 1232 OXT PRO A 82 17.094 3.377 11.018 1.00 36.28 O ATOM 0 HA PRO A 82 16.353 4.190 7.982 1.00 44.20 H new ATOM 0 HB2 PRO A 82 18.510 5.207 9.375 1.00 25.14 H new ATOM 0 HB3 PRO A 82 17.681 6.226 8.217 1.00 25.14 H new ATOM 0 HG2 PRO A 82 17.475 6.211 11.215 1.00 74.34 H new ATOM 0 HG3 PRO A 82 17.444 7.574 10.115 1.00 74.34 H new ATOM 0 HD2 PRO A 82 15.164 6.414 11.261 1.00 14.50 H new ATOM 0 HD3 PRO A 82 15.143 7.429 9.832 1.00 14.50 H new