USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 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 30 GLN : amide:sc= -5.06! C(o=-6.4!,f=-10!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.36 K(o=-6.4,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -137:sc= -0.527 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.22! C(o=-4.2!,f=-7.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.596 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.186 (180deg=-0.799) USER MOD Single : A 53 GLN : amide:sc= -2.56 X(o=-2.6,f=-3) USER MOD Single : A 58 SER OG : rot 54:sc= 0.998 USER MOD Single : A 62 THR OG1 : rot 61:sc= -0.0271 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 70 MET CE :methyl 138:sc= -7.03! (180deg=-14.3!) USER MOD Single : A 74 SER OG : rot -90:sc= -0.332 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -54:sc= 1.23 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0231) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 0.935 (180deg=0.828) USER MOD Single : A 92 SER OG : rot 65:sc= 1.17 USER MOD Single : A 100 LYS NZ :NH3+ 164:sc=-0.00934 (180deg=-0.144) USER MOD Single : A 106 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.14) USER MOD Single : A 107 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.016) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.39) USER MOD Single : A 110 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.0071) USER MOD Single : A 111 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.8) USER MOD Single : A 201 PLM O1 : rot 130:sc= -1.03 USER MOD Single : A 202 PLM O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.614 1.034 1.312 1.00 30.34 N ATOM 2 CA MET A 1 1.808 0.311 0.061 1.00 43.23 C ATOM 3 C MET A 1 3.010 -0.624 0.155 1.00 31.55 C ATOM 4 O MET A 1 4.146 -0.215 -0.087 1.00 14.10 O ATOM 5 CB MET A 1 1.999 1.291 -1.097 1.00 53.32 C ATOM 6 CG MET A 1 0.720 2.001 -1.510 1.00 61.53 C ATOM 7 SD MET A 1 0.918 3.790 -1.605 1.00 43.22 S ATOM 8 CE MET A 1 0.138 4.300 -0.074 1.00 4.20 C ATOM 0 H1 MET A 1 0.791 1.664 1.225 1.00 30.34 H new ATOM 0 H2 MET A 1 1.451 0.356 2.083 1.00 30.34 H new ATOM 0 H3 MET A 1 2.462 1.599 1.522 1.00 30.34 H new ATOM 0 HA MET A 1 0.917 -0.288 -0.125 1.00 43.23 H new ATOM 0 HB2 MET A 1 2.743 2.036 -0.813 1.00 53.32 H new ATOM 0 HB3 MET A 1 2.399 0.752 -1.956 1.00 53.32 H new ATOM 0 HG2 MET A 1 0.396 1.623 -2.480 1.00 61.53 H new ATOM 0 HG3 MET A 1 -0.069 1.764 -0.796 1.00 61.53 H new ATOM 0 HE1 MET A 1 0.181 5.386 0.012 1.00 4.20 H new ATOM 0 HE2 MET A 1 -0.903 3.977 -0.071 1.00 4.20 H new ATOM 0 HE3 MET A 1 0.661 3.848 0.769 1.00 4.20 H new ATOM 18 N SER A 2 2.753 -1.879 0.509 1.00 23.13 N ATOM 19 CA SER A 2 3.815 -2.870 0.638 1.00 70.22 C ATOM 20 C SER A 2 3.711 -3.925 -0.459 1.00 60.42 C ATOM 21 O SER A 2 2.946 -3.773 -1.412 1.00 33.03 O ATOM 22 CB SER A 2 3.752 -3.539 2.012 1.00 14.01 C ATOM 23 OG SER A 2 3.733 -2.574 3.049 1.00 44.23 O ATOM 0 H SER A 2 1.818 -2.234 0.712 1.00 23.13 H new ATOM 0 HA SER A 2 4.771 -2.357 0.534 1.00 70.22 H new ATOM 0 HB2 SER A 2 2.861 -4.163 2.075 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.612 -4.197 2.139 1.00 14.01 H new ATOM 0 HG SER A 2 3.691 -3.027 3.917 1.00 44.23 H new ATOM 29 N VAL A 3 4.486 -4.995 -0.318 1.00 5.10 N ATOM 30 CA VAL A 3 4.481 -6.077 -1.296 1.00 74.43 C ATOM 31 C VAL A 3 3.058 -6.510 -1.631 1.00 53.33 C ATOM 32 O VAL A 3 2.786 -6.980 -2.734 1.00 14.34 O ATOM 33 CB VAL A 3 5.270 -7.298 -0.785 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.408 -8.143 0.139 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.785 -8.125 -1.954 1.00 71.40 C ATOM 0 H VAL A 3 5.126 -5.136 0.464 1.00 5.10 H new ATOM 0 HA VAL A 3 4.961 -5.692 -2.196 1.00 74.43 H new ATOM 0 HB VAL A 3 6.128 -6.942 -0.215 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.983 -9.000 0.489 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.094 -7.543 0.993 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.529 -8.492 -0.402 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.340 -8.983 -1.576 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.943 -8.472 -2.553 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.441 -7.512 -2.572 1.00 71.40 H new ATOM 45 N GLU A 4 2.154 -6.345 -0.670 1.00 43.03 N ATOM 46 CA GLU A 4 0.759 -6.719 -0.863 1.00 11.43 C ATOM 47 C GLU A 4 0.119 -5.881 -1.967 1.00 22.33 C ATOM 48 O GLU A 4 -0.585 -6.405 -2.831 1.00 35.51 O ATOM 49 CB GLU A 4 -0.024 -6.548 0.440 1.00 73.40 C ATOM 50 CG GLU A 4 -1.472 -6.999 0.346 1.00 34.13 C ATOM 51 CD GLU A 4 -1.886 -7.881 1.507 1.00 73.21 C ATOM 52 OE1 GLU A 4 -2.596 -8.880 1.268 1.00 60.22 O ATOM 53 OE2 GLU A 4 -1.499 -7.574 2.654 1.00 42.52 O1- ATOM 0 H GLU A 4 2.363 -5.955 0.249 1.00 43.03 H new ATOM 0 HA GLU A 4 0.729 -7.767 -1.161 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.473 -7.113 1.229 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.002 -5.499 0.734 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -2.120 -6.123 0.311 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.620 -7.541 -0.588 1.00 34.13 H new ATOM 60 N THR A 5 0.368 -4.576 -1.930 1.00 74.04 N ATOM 61 CA THR A 5 -0.185 -3.665 -2.925 1.00 61.14 C ATOM 62 C THR A 5 0.435 -3.907 -4.297 1.00 11.11 C ATOM 63 O THR A 5 -0.154 -3.566 -5.323 1.00 53.10 O ATOM 64 CB THR A 5 0.041 -2.194 -2.526 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.275 -2.008 -1.142 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.813 -1.266 -3.377 1.00 71.31 C ATOM 0 H THR A 5 0.949 -4.126 -1.222 1.00 74.04 H new ATOM 0 HA THR A 5 -1.256 -3.862 -2.973 1.00 61.14 H new ATOM 0 HB THR A 5 1.090 -1.951 -2.694 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.782 -1.177 -1.031 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.637 -0.233 -3.078 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.549 -1.389 -4.427 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.866 -1.510 -3.237 1.00 71.31 H new ATOM 74 N ILE A 6 1.624 -4.500 -4.308 1.00 14.44 N ATOM 75 CA ILE A 6 2.322 -4.790 -5.555 1.00 13.03 C ATOM 76 C ILE A 6 1.742 -6.026 -6.233 1.00 73.35 C ATOM 77 O ILE A 6 1.500 -6.028 -7.440 1.00 33.51 O ATOM 78 CB ILE A 6 3.829 -5.004 -5.320 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.359 -3.987 -4.308 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.589 -4.900 -6.634 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.938 -2.565 -4.603 1.00 64.21 C ATOM 0 H ILE A 6 2.124 -4.789 -3.468 1.00 14.44 H new ATOM 0 HA ILE A 6 2.185 -3.925 -6.204 1.00 13.03 H new ATOM 0 HB ILE A 6 3.981 -6.004 -4.914 1.00 41.41 H new ATOM 0 HG12 ILE A 6 4.010 -4.261 -3.313 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.448 -4.039 -4.290 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.653 -5.053 -6.452 1.00 42.51 H new ATOM 0 HG22 ILE A 6 4.226 -5.660 -7.326 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.434 -3.912 -7.067 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.350 -1.899 -3.845 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.310 -2.272 -5.585 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.850 -2.498 -4.592 1.00 64.21 H new ATOM 93 N ILE A 7 1.523 -7.076 -5.449 1.00 51.41 N ATOM 94 CA ILE A 7 0.969 -8.319 -5.974 1.00 0.02 C ATOM 95 C ILE A 7 -0.524 -8.182 -6.247 1.00 53.31 C ATOM 96 O ILE A 7 -1.074 -8.875 -7.103 1.00 54.10 O ATOM 97 CB ILE A 7 1.198 -9.491 -5.001 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.694 -9.766 -4.841 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.475 -10.736 -5.495 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.383 -10.137 -6.135 1.00 52.51 C ATOM 0 H ILE A 7 1.720 -7.091 -4.448 1.00 51.41 H new ATOM 0 HA ILE A 7 1.488 -8.528 -6.909 1.00 0.02 H new ATOM 0 HB ILE A 7 0.792 -9.220 -4.026 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.175 -8.881 -4.424 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.832 -10.573 -4.121 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.645 -11.556 -4.798 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.594 -10.533 -5.563 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.855 -11.011 -6.479 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.441 -10.318 -5.945 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.928 -11.039 -6.544 1.00 52.51 H new ATOM 0 HD13 ILE A 7 3.277 -9.322 -6.850 1.00 52.51 H new ATOM 112 N GLU A 8 -1.175 -7.284 -5.516 1.00 35.43 N ATOM 113 CA GLU A 8 -2.606 -7.056 -5.682 1.00 71.25 C ATOM 114 C GLU A 8 -2.954 -6.826 -7.150 1.00 71.52 C ATOM 115 O GLU A 8 -4.025 -7.219 -7.613 1.00 32.54 O ATOM 116 CB GLU A 8 -3.054 -5.856 -4.845 1.00 71.25 C ATOM 117 CG GLU A 8 -2.867 -4.521 -5.547 1.00 15.12 C ATOM 118 CD GLU A 8 -4.045 -4.154 -6.427 1.00 1.01 C ATOM 119 OE1 GLU A 8 -4.973 -4.982 -6.550 1.00 75.25 O ATOM 120 OE2 GLU A 8 -4.040 -3.042 -6.995 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.735 -6.702 -4.803 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.132 -7.946 -5.338 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -4.106 -5.977 -4.586 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -2.494 -5.847 -3.910 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -2.719 -3.740 -4.801 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -1.962 -4.558 -6.154 1.00 15.12 H new ATOM 127 N ARG A 9 -2.043 -6.185 -7.874 1.00 14.15 N ATOM 128 CA ARG A 9 -2.253 -5.900 -9.288 1.00 33.34 C ATOM 129 C ARG A 9 -1.996 -7.142 -10.137 1.00 22.34 C ATOM 130 O ARG A 9 -2.738 -7.427 -11.078 1.00 52.23 O ATOM 131 CB ARG A 9 -1.339 -4.761 -9.742 1.00 41.22 C ATOM 132 CG ARG A 9 -2.004 -3.395 -9.704 1.00 63.41 C ATOM 133 CD ARG A 9 -1.584 -2.604 -8.475 1.00 44.44 C ATOM 134 NE ARG A 9 -2.259 -1.313 -8.398 1.00 1.20 N ATOM 135 CZ ARG A 9 -1.941 -0.367 -7.520 1.00 43.43 C ATOM 136 NH1 ARG A 9 -0.960 -0.569 -6.651 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -2.603 0.783 -7.512 1.00 51.24 N ATOM 0 H ARG A 9 -1.152 -5.853 -7.505 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.292 -5.598 -9.421 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.453 -4.742 -9.107 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -0.999 -4.962 -10.758 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -1.743 -2.837 -10.603 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.087 -3.516 -9.707 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -1.806 -3.183 -7.578 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -0.505 -2.448 -8.495 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.017 -1.126 -9.054 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -0.448 -1.451 -6.656 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -0.717 0.158 -5.978 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -3.357 0.942 -8.180 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -2.358 1.508 -6.838 1.00 51.24 H new ATOM 151 N ILE A 10 -0.941 -7.876 -9.799 1.00 40.41 N ATOM 152 CA ILE A 10 -0.587 -9.086 -10.529 1.00 14.34 C ATOM 153 C ILE A 10 -1.728 -10.099 -10.502 1.00 62.03 C ATOM 154 O ILE A 10 -2.213 -10.532 -11.547 1.00 74.00 O ATOM 155 CB ILE A 10 0.680 -9.743 -9.950 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.798 -8.709 -9.812 1.00 24.51 C ATOM 157 CG2 ILE A 10 1.126 -10.900 -10.831 1.00 55.12 C ATOM 158 CD1 ILE A 10 3.113 -9.298 -9.348 1.00 13.02 C ATOM 0 H ILE A 10 -0.317 -7.653 -9.024 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.394 -8.787 -11.559 1.00 14.34 H new ATOM 0 HB ILE A 10 0.449 -10.135 -8.959 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.948 -8.218 -10.773 1.00 24.51 H new ATOM 0 HG13 ILE A 10 1.485 -7.939 -9.107 1.00 24.51 H new ATOM 0 HG21 ILE A 10 2.022 -11.354 -10.409 1.00 55.12 H new ATOM 0 HG22 ILE A 10 0.332 -11.645 -10.883 1.00 55.12 H new ATOM 0 HG23 ILE A 10 1.344 -10.531 -11.833 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.859 -8.507 -9.273 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.979 -9.764 -8.372 1.00 13.02 H new ATOM 0 HD13 ILE A 10 3.449 -10.047 -10.065 1.00 13.02 H new ATOM 170 N LYS A 11 -2.154 -10.469 -9.299 1.00 61.13 N ATOM 171 CA LYS A 11 -3.240 -11.428 -9.134 1.00 50.23 C ATOM 172 C LYS A 11 -4.498 -10.955 -9.857 1.00 62.52 C ATOM 173 O LYS A 11 -5.229 -11.757 -10.437 1.00 43.22 O ATOM 174 CB LYS A 11 -3.542 -11.636 -7.647 1.00 4.34 C ATOM 175 CG LYS A 11 -3.577 -10.347 -6.848 1.00 75.22 C ATOM 176 CD LYS A 11 -4.779 -10.299 -5.918 1.00 21.30 C ATOM 177 CE LYS A 11 -6.020 -9.793 -6.638 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.268 -10.156 -5.911 1.00 13.21 N1+ ATOM 0 H LYS A 11 -1.764 -10.119 -8.424 1.00 61.13 H new ATOM 0 HA LYS A 11 -2.925 -12.375 -9.571 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.502 -12.142 -7.547 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -2.788 -12.297 -7.221 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -2.661 -10.254 -6.265 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -3.609 -9.497 -7.529 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -4.970 -11.294 -5.517 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.559 -9.650 -5.070 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -5.963 -8.710 -6.743 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.051 -10.210 -7.645 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.092 -9.794 -6.433 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.336 -11.191 -5.833 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.250 -9.737 -4.959 1.00 13.21 H new ATOM 192 N ALA A 12 -4.741 -9.649 -9.819 1.00 55.14 N ATOM 193 CA ALA A 12 -5.908 -9.070 -10.473 1.00 34.34 C ATOM 194 C ALA A 12 -5.865 -9.306 -11.980 1.00 55.24 C ATOM 195 O ALA A 12 -6.883 -9.624 -12.596 1.00 10.40 O ATOM 196 CB ALA A 12 -5.998 -7.581 -10.173 1.00 45.33 C ATOM 0 H ALA A 12 -4.145 -8.972 -9.342 1.00 55.14 H new ATOM 0 HA ALA A 12 -6.797 -9.563 -10.078 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -6.874 -7.162 -10.668 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.083 -7.431 -9.097 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.101 -7.081 -10.539 1.00 45.33 H new ATOM 202 N ARG A 13 -4.683 -9.147 -12.565 1.00 1.42 N ATOM 203 CA ARG A 13 -4.510 -9.342 -14.000 1.00 42.34 C ATOM 204 C ARG A 13 -4.554 -10.823 -14.358 1.00 75.41 C ATOM 205 O ARG A 13 -5.123 -11.210 -15.378 1.00 71.34 O ATOM 206 CB ARG A 13 -3.183 -8.734 -14.461 1.00 55.21 C ATOM 207 CG ARG A 13 -2.964 -8.819 -15.963 1.00 12.20 C ATOM 208 CD ARG A 13 -4.089 -8.139 -16.729 1.00 25.52 C ATOM 209 NE ARG A 13 -4.190 -6.719 -16.406 1.00 14.11 N ATOM 210 CZ ARG A 13 -4.832 -5.837 -17.164 1.00 35.11 C ATOM 211 NH1 ARG A 13 -5.427 -6.228 -18.283 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -4.881 -4.560 -16.804 1.00 54.31 N ATOM 0 H ARG A 13 -3.832 -8.884 -12.069 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.331 -8.839 -14.511 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.146 -7.688 -14.156 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.364 -9.243 -13.953 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.013 -8.352 -16.220 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -2.898 -9.865 -16.264 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -3.921 -8.256 -17.800 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.034 -8.631 -16.499 1.00 25.52 H new ATOM 0 HE ARG A 13 -3.743 -6.386 -15.552 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -5.392 -7.208 -18.563 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -5.919 -5.549 -18.863 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -4.425 -4.255 -15.944 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -5.374 -3.884 -17.387 1.00 54.31 H new ATOM 226 N VAL A 14 -3.949 -11.650 -13.510 1.00 22.42 N ATOM 227 CA VAL A 14 -3.920 -13.090 -13.736 1.00 65.13 C ATOM 228 C VAL A 14 -5.319 -13.632 -14.013 1.00 11.41 C ATOM 229 O VAL A 14 -5.537 -14.344 -14.992 1.00 11.41 O ATOM 230 CB VAL A 14 -3.324 -13.836 -12.528 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.305 -15.336 -12.781 1.00 11.02 C ATOM 232 CG2 VAL A 14 -1.924 -13.322 -12.223 1.00 61.14 C ATOM 0 H VAL A 14 -3.473 -11.347 -12.661 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.288 -13.260 -14.608 1.00 65.13 H new ATOM 0 HB VAL A 14 -3.955 -13.646 -11.660 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.880 -15.846 -11.916 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.322 -15.690 -12.947 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.699 -15.549 -13.661 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.517 -13.860 -11.367 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.282 -13.480 -13.089 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -1.969 -12.257 -11.995 1.00 61.14 H new ATOM 242 N GLY A 15 -6.264 -13.287 -13.143 1.00 21.44 N ATOM 243 CA GLY A 15 -7.630 -13.747 -13.312 1.00 52.30 C ATOM 244 C GLY A 15 -8.448 -12.823 -14.193 1.00 73.25 C ATOM 245 O GLY A 15 -9.673 -12.929 -14.247 1.00 42.21 O ATOM 0 H GLY A 15 -6.108 -12.698 -12.325 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.622 -14.746 -13.747 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.106 -13.828 -12.335 1.00 52.30 H new ATOM 249 N ALA A 16 -7.769 -11.913 -14.885 1.00 11.20 N ATOM 250 CA ALA A 16 -8.440 -10.968 -15.768 1.00 51.25 C ATOM 251 C ALA A 16 -7.992 -11.153 -17.213 1.00 3.23 C ATOM 252 O ALA A 16 -8.462 -10.457 -18.114 1.00 4.14 O ATOM 253 CB ALA A 16 -8.179 -9.540 -15.310 1.00 14.21 C ATOM 0 H ALA A 16 -6.755 -11.811 -14.851 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.511 -11.163 -15.720 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -8.686 -8.845 -15.979 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -8.556 -9.408 -14.296 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.107 -9.343 -15.327 1.00 14.21 H new ATOM 259 N VAL A 17 -7.078 -12.094 -17.430 1.00 61.40 N ATOM 260 CA VAL A 17 -6.566 -12.371 -18.766 1.00 25.41 C ATOM 261 C VAL A 17 -7.704 -12.583 -19.758 1.00 62.03 C ATOM 262 O VAL A 17 -8.679 -13.275 -19.462 1.00 65.32 O ATOM 263 CB VAL A 17 -5.656 -13.614 -18.772 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.396 -14.078 -20.197 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.349 -13.321 -18.052 1.00 53.34 C ATOM 0 H VAL A 17 -6.677 -12.678 -16.696 1.00 61.40 H new ATOM 0 HA VAL A 17 -5.982 -11.501 -19.068 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.165 -14.418 -18.240 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.751 -14.957 -20.182 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.342 -14.330 -20.676 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -4.908 -13.280 -20.756 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.719 -14.210 -18.066 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -3.833 -12.502 -18.554 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.557 -13.040 -17.020 1.00 53.34 H new ATOM 275 N ASP A 18 -7.575 -11.982 -20.936 1.00 53.03 N ATOM 276 CA ASP A 18 -8.592 -12.106 -21.973 1.00 53.12 C ATOM 277 C ASP A 18 -8.145 -13.081 -23.058 1.00 33.02 C ATOM 278 O ASP A 18 -6.967 -13.164 -23.406 1.00 11.13 O ATOM 279 CB ASP A 18 -8.891 -10.739 -22.590 1.00 41.05 C ATOM 280 CG ASP A 18 -9.840 -9.916 -21.740 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.023 -9.795 -22.121 1.00 41.35 O ATOM 282 OD2 ASP A 18 -9.398 -9.393 -20.697 1.00 43.50 O1- ATOM 0 H ASP A 18 -6.776 -11.404 -21.196 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.500 -12.494 -21.512 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -7.958 -10.191 -22.722 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.323 -10.877 -23.581 1.00 41.05 H new ATOM 287 N PRO A 19 -9.107 -13.838 -23.607 1.00 61.33 N ATOM 288 CA PRO A 19 -8.837 -14.821 -24.660 1.00 24.45 C ATOM 289 C PRO A 19 -8.463 -14.164 -25.984 1.00 52.45 C ATOM 290 O PRO A 19 -8.031 -14.834 -26.920 1.00 60.01 O ATOM 291 CB PRO A 19 -10.163 -15.574 -24.792 1.00 44.51 C ATOM 292 CG PRO A 19 -11.194 -14.610 -24.316 1.00 61.04 C ATOM 293 CD PRO A 19 -10.533 -13.792 -23.241 1.00 65.12 C ATOM 0 HA PRO A 19 -7.991 -15.462 -24.412 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.347 -15.874 -25.824 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.164 -16.483 -24.191 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.540 -13.975 -25.132 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.067 -15.133 -23.926 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -10.911 -12.770 -23.224 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.708 -14.213 -22.251 1.00 65.12 H new ATOM 301 N ASN A 20 -8.632 -12.848 -26.055 1.00 14.21 N ATOM 302 CA ASN A 20 -8.312 -12.099 -27.265 1.00 51.20 C ATOM 303 C ASN A 20 -6.807 -11.886 -27.391 1.00 32.21 C ATOM 304 O ASN A 20 -6.262 -11.868 -28.494 1.00 25.02 O ATOM 305 CB ASN A 20 -9.032 -10.750 -27.261 1.00 64.43 C ATOM 306 CG ASN A 20 -10.195 -10.711 -28.234 1.00 2.35 C ATOM 307 OD1 ASN A 20 -10.182 -9.951 -29.203 1.00 4.13 O ATOM 308 ND2 ASN A 20 -11.207 -11.531 -27.979 1.00 52.44 N ATOM 0 H ASN A 20 -8.989 -12.278 -25.288 1.00 14.21 H new ATOM 0 HA ASN A 20 -8.651 -12.680 -28.122 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.396 -10.539 -26.256 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -8.323 -9.962 -27.515 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -12.017 -11.549 -28.598 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -11.174 -12.143 -27.164 1.00 52.44 H new ATOM 315 N GLY A 21 -6.141 -11.724 -26.252 1.00 50.52 N ATOM 316 CA GLY A 21 -4.705 -11.514 -26.256 1.00 62.51 C ATOM 317 C GLY A 21 -3.928 -12.815 -26.318 1.00 11.23 C ATOM 318 O GLY A 21 -3.635 -13.336 -27.393 1.00 25.24 O ATOM 0 H GLY A 21 -6.570 -11.734 -25.327 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.434 -10.892 -27.109 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.419 -10.966 -25.358 1.00 62.51 H new ATOM 322 N PRO A 22 -3.583 -13.358 -25.142 1.00 62.45 N ATOM 323 CA PRO A 22 -2.830 -14.612 -25.040 1.00 23.24 C ATOM 324 C PRO A 22 -3.656 -15.820 -25.466 1.00 51.52 C ATOM 325 O PRO A 22 -4.736 -15.674 -26.040 1.00 44.23 O ATOM 326 CB PRO A 22 -2.486 -14.698 -23.551 1.00 44.15 C ATOM 327 CG PRO A 22 -3.543 -13.900 -22.870 1.00 54.42 C ATOM 328 CD PRO A 22 -3.900 -12.791 -23.820 1.00 52.42 C ATOM 0 HA PRO A 22 -1.958 -14.619 -25.694 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.485 -15.731 -23.204 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.494 -14.294 -23.350 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.413 -14.516 -22.645 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.181 -13.501 -21.922 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -4.952 -12.518 -23.742 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.321 -11.889 -23.620 1.00 52.42 H new ATOM 336 N ARG A 23 -3.144 -17.013 -25.182 1.00 3.14 N ATOM 337 CA ARG A 23 -3.834 -18.246 -25.538 1.00 53.14 C ATOM 338 C ARG A 23 -3.564 -19.337 -24.506 1.00 53.31 C ATOM 339 O ARG A 23 -2.661 -19.214 -23.677 1.00 11.32 O ATOM 340 CB ARG A 23 -3.395 -18.720 -26.925 1.00 65.52 C ATOM 341 CG ARG A 23 -3.905 -17.844 -28.057 1.00 43.32 C ATOM 342 CD ARG A 23 -5.423 -17.758 -28.056 1.00 4.23 C ATOM 343 NE ARG A 23 -5.992 -18.132 -29.348 1.00 13.13 N ATOM 344 CZ ARG A 23 -7.292 -18.320 -29.552 1.00 63.53 C ATOM 345 NH1 ARG A 23 -8.151 -18.169 -28.553 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.734 -18.659 -30.756 1.00 32.33 N ATOM 0 H ARG A 23 -2.253 -17.151 -24.706 1.00 3.14 H new ATOM 0 HA ARG A 23 -4.905 -18.042 -25.554 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.306 -18.749 -26.962 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.747 -19.740 -27.079 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.483 -16.843 -27.962 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.563 -18.245 -29.011 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.823 -18.412 -27.281 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -5.729 -16.742 -27.805 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.357 -18.256 -30.137 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.815 -17.908 -27.626 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -9.148 -18.314 -28.712 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.076 -18.776 -31.527 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.732 -18.803 -30.911 1.00 32.33 H new ATOM 360 N LYS A 24 -4.351 -20.407 -24.563 1.00 71.13 N ATOM 361 CA LYS A 24 -4.198 -21.521 -23.635 1.00 41.04 C ATOM 362 C LYS A 24 -2.741 -21.970 -23.561 1.00 22.22 C ATOM 363 O LYS A 24 -2.245 -22.653 -24.457 1.00 21.24 O ATOM 364 CB LYS A 24 -5.082 -22.694 -24.063 1.00 44.53 C ATOM 365 CG LYS A 24 -6.474 -22.657 -23.458 1.00 62.53 C ATOM 366 CD LYS A 24 -7.496 -23.319 -24.368 1.00 63.55 C ATOM 367 CE LYS A 24 -7.879 -24.701 -23.864 1.00 34.31 C ATOM 368 NZ LYS A 24 -8.789 -25.405 -24.809 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.102 -20.526 -25.243 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.508 -21.183 -22.646 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.167 -22.697 -25.150 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.596 -23.627 -23.779 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.465 -23.161 -22.492 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.765 -21.623 -23.275 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.387 -22.694 -24.432 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.090 -23.398 -25.376 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -6.978 -25.296 -23.717 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.364 -24.611 -22.892 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -9.026 -26.343 -24.428 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.660 -24.850 -24.930 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -8.317 -25.514 -25.729 1.00 63.14 H new ATOM 382 N VAL A 25 -2.061 -21.582 -22.486 1.00 32.25 N ATOM 383 CA VAL A 25 -0.663 -21.947 -22.293 1.00 72.11 C ATOM 384 C VAL A 25 -0.510 -22.961 -21.165 1.00 51.12 C ATOM 385 O VAL A 25 -1.471 -23.273 -20.460 1.00 43.45 O ATOM 386 CB VAL A 25 0.202 -20.712 -21.979 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.306 -19.810 -23.199 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.369 -19.951 -20.791 1.00 3.14 C ATOM 0 H VAL A 25 -2.456 -21.015 -21.736 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.321 -22.393 -23.227 1.00 72.11 H new ATOM 0 HB VAL A 25 1.205 -21.049 -21.718 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.921 -18.943 -22.959 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.762 -20.361 -24.021 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.690 -19.479 -23.493 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.254 -19.081 -20.582 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.383 -19.624 -21.022 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.388 -20.602 -19.917 1.00 3.14 H new ATOM 398 N LEU A 26 0.704 -23.472 -20.997 1.00 52.13 N ATOM 399 CA LEU A 26 0.984 -24.452 -19.952 1.00 53.31 C ATOM 400 C LEU A 26 2.315 -24.153 -19.269 1.00 41.52 C ATOM 401 O LEU A 26 3.318 -23.885 -19.929 1.00 23.31 O ATOM 402 CB LEU A 26 1.007 -25.862 -20.542 1.00 34.22 C ATOM 403 CG LEU A 26 2.015 -26.105 -21.665 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.401 -27.575 -21.730 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.447 -25.642 -23.000 1.00 1.25 C ATOM 0 H LEU A 26 1.511 -23.225 -21.570 1.00 52.13 H new ATOM 0 HA LEU A 26 0.191 -24.389 -19.207 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.214 -26.567 -19.737 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.011 -26.092 -20.920 1.00 34.22 H new ATOM 0 HG LEU A 26 2.913 -25.525 -21.452 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.119 -27.727 -22.536 1.00 50.53 H new ATOM 0 HD12 LEU A 26 2.849 -27.876 -20.783 1.00 50.53 H new ATOM 0 HD13 LEU A 26 1.512 -28.177 -21.918 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.178 -25.822 -23.788 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.534 -26.195 -23.218 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.223 -24.577 -22.950 1.00 1.25 H new ATOM 417 N GLY A 27 2.316 -24.201 -17.939 1.00 11.13 N ATOM 418 CA GLY A 27 3.528 -23.935 -17.188 1.00 74.50 C ATOM 419 C GLY A 27 3.258 -23.202 -15.890 1.00 72.22 C ATOM 420 O GLY A 27 2.104 -23.019 -15.501 1.00 33.15 O ATOM 0 H GLY A 27 1.498 -24.419 -17.370 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.031 -24.877 -16.971 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.209 -23.344 -17.801 1.00 74.50 H new ATOM 424 N VAL A 28 4.323 -22.780 -15.216 1.00 0.31 N ATOM 425 CA VAL A 28 4.194 -22.062 -13.954 1.00 11.43 C ATOM 426 C VAL A 28 5.273 -20.994 -13.817 1.00 12.21 C ATOM 427 O VAL A 28 6.346 -21.099 -14.412 1.00 72.43 O ATOM 428 CB VAL A 28 4.281 -23.021 -12.752 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.566 -22.432 -11.546 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.704 -24.381 -13.113 1.00 65.50 C ATOM 0 H VAL A 28 5.285 -22.923 -15.523 1.00 0.31 H new ATOM 0 HA VAL A 28 3.214 -21.585 -13.959 1.00 11.43 H new ATOM 0 HB VAL A 28 5.331 -23.155 -12.492 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.638 -23.124 -10.707 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.030 -21.483 -11.275 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.517 -22.266 -11.790 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.774 -25.046 -12.252 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.659 -24.268 -13.401 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.266 -24.805 -13.945 1.00 65.50 H new ATOM 440 N PHE A 29 4.983 -19.965 -13.028 1.00 21.24 N ATOM 441 CA PHE A 29 5.928 -18.875 -12.812 1.00 24.31 C ATOM 442 C PHE A 29 6.240 -18.712 -11.327 1.00 74.32 C ATOM 443 O PHE A 29 5.356 -18.833 -10.480 1.00 14.41 O ATOM 444 CB PHE A 29 5.369 -17.567 -13.374 1.00 62.43 C ATOM 445 CG PHE A 29 5.161 -17.594 -14.862 1.00 74.23 C ATOM 446 CD1 PHE A 29 3.981 -17.127 -15.419 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.145 -18.087 -15.703 1.00 0.33 C ATOM 448 CE1 PHE A 29 3.787 -17.150 -16.786 1.00 43.11 C ATOM 449 CE2 PHE A 29 5.957 -18.112 -17.072 1.00 64.12 C ATOM 450 CZ PHE A 29 4.776 -17.643 -17.614 1.00 52.54 C ATOM 0 H PHE A 29 4.100 -19.863 -12.527 1.00 21.24 H new ATOM 0 HA PHE A 29 6.852 -19.120 -13.335 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.419 -17.348 -12.886 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.050 -16.753 -13.125 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.204 -16.740 -14.776 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.070 -18.456 -15.284 1.00 0.33 H new ATOM 0 HE1 PHE A 29 2.863 -16.783 -17.207 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.732 -18.498 -17.717 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.627 -17.662 -18.683 1.00 52.54 H new ATOM 460 N GLN A 30 7.504 -18.436 -11.021 1.00 73.10 N ATOM 461 CA GLN A 30 7.933 -18.258 -9.640 1.00 2.03 C ATOM 462 C GLN A 30 8.478 -16.850 -9.416 1.00 32.14 C ATOM 463 O GLN A 30 9.660 -16.588 -9.644 1.00 10.04 O ATOM 464 CB GLN A 30 8.999 -19.293 -9.276 1.00 11.10 C ATOM 465 CG GLN A 30 9.397 -19.267 -7.809 1.00 21.52 C ATOM 466 CD GLN A 30 8.209 -19.422 -6.879 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.328 -20.247 -7.112 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.182 -18.624 -5.817 1.00 1.20 N ATOM 0 H GLN A 30 8.248 -18.331 -11.711 1.00 73.10 H new ATOM 0 HA GLN A 30 7.065 -18.399 -8.996 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.628 -20.287 -9.526 1.00 11.10 H new ATOM 0 HB3 GLN A 30 9.885 -19.120 -9.887 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.111 -20.067 -7.616 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.904 -18.327 -7.591 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.935 -17.954 -5.663 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.408 -18.682 -5.155 1.00 1.20 H new ATOM 477 N LEU A 31 7.609 -15.950 -8.970 1.00 65.02 N ATOM 478 CA LEU A 31 8.003 -14.568 -8.716 1.00 54.50 C ATOM 479 C LEU A 31 8.718 -14.443 -7.374 1.00 53.24 C ATOM 480 O LEU A 31 8.226 -14.919 -6.351 1.00 13.04 O ATOM 481 CB LEU A 31 6.776 -13.655 -8.740 1.00 52.25 C ATOM 482 CG LEU A 31 6.871 -12.380 -7.901 1.00 62.25 C ATOM 483 CD1 LEU A 31 7.989 -11.485 -8.417 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.544 -11.636 -7.908 1.00 64.43 C ATOM 0 H LEU A 31 6.628 -16.152 -8.777 1.00 65.02 H new ATOM 0 HA LEU A 31 8.692 -14.262 -9.503 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.579 -13.372 -9.774 1.00 52.25 H new ATOM 0 HB3 LEU A 31 5.915 -14.228 -8.397 1.00 52.25 H new ATOM 0 HG LEU A 31 7.101 -12.660 -6.873 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.043 -10.582 -7.809 1.00 62.41 H new ATOM 0 HD12 LEU A 31 8.938 -12.018 -8.359 1.00 62.41 H new ATOM 0 HD13 LEU A 31 7.788 -11.213 -9.453 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.631 -10.732 -7.306 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.283 -11.367 -8.932 1.00 64.43 H new ATOM 0 HD23 LEU A 31 4.766 -12.276 -7.492 1.00 64.43 H new ATOM 496 N ASN A 32 9.879 -13.799 -7.386 1.00 55.44 N ATOM 497 CA ASN A 32 10.662 -13.610 -6.169 1.00 63.23 C ATOM 498 C ASN A 32 10.973 -12.133 -5.947 1.00 53.21 C ATOM 499 O ASN A 32 11.249 -11.398 -6.894 1.00 30.12 O ATOM 500 CB ASN A 32 11.963 -14.411 -6.244 1.00 15.22 C ATOM 501 CG ASN A 32 11.748 -15.813 -6.782 1.00 74.20 C ATOM 502 OD1 ASN A 32 10.657 -16.373 -6.671 1.00 54.54 O ATOM 503 ND2 ASN A 32 12.791 -16.388 -7.368 1.00 41.33 N ATOM 0 H ASN A 32 10.300 -13.399 -8.224 1.00 55.44 H new ATOM 0 HA ASN A 32 10.071 -13.970 -5.327 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.674 -13.885 -6.881 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.408 -14.470 -5.251 1.00 15.22 H new ATOM 0 HD21 ASN A 32 12.707 -17.331 -7.748 1.00 41.33 H new ATOM 0 HD22 ASN A 32 13.677 -15.887 -7.438 1.00 41.33 H new ATOM 510 N ILE A 33 10.927 -11.708 -4.689 1.00 31.21 N ATOM 511 CA ILE A 33 11.207 -10.320 -4.342 1.00 31.14 C ATOM 512 C ILE A 33 12.205 -10.231 -3.192 1.00 52.44 C ATOM 513 O ILE A 33 11.965 -10.755 -2.105 1.00 11.10 O ATOM 514 CB ILE A 33 9.920 -9.568 -3.950 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.931 -9.561 -5.116 1.00 12.13 C ATOM 516 CG2 ILE A 33 10.249 -8.146 -3.518 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.919 -10.684 -5.057 1.00 72.22 C ATOM 0 H ILE A 33 10.699 -12.304 -3.894 1.00 31.21 H new ATOM 0 HA ILE A 33 11.636 -9.853 -5.229 1.00 31.14 H new ATOM 0 HB ILE A 33 9.457 -10.085 -3.110 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.403 -8.607 -5.128 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.485 -9.631 -6.052 1.00 12.13 H new ATOM 0 HG21 ILE A 33 9.330 -7.627 -3.244 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.920 -8.173 -2.660 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.732 -7.618 -4.340 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.250 -10.617 -5.915 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.438 -11.643 -5.076 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.339 -10.603 -4.138 1.00 72.22 H new ATOM 529 N LYS A 34 13.325 -9.561 -3.441 1.00 22.24 N ATOM 530 CA LYS A 34 14.360 -9.399 -2.427 1.00 23.21 C ATOM 531 C LYS A 34 13.852 -8.557 -1.261 1.00 44.34 C ATOM 532 O LYS A 34 13.020 -7.667 -1.438 1.00 15.11 O ATOM 533 CB LYS A 34 15.603 -8.746 -3.038 1.00 53.34 C ATOM 534 CG LYS A 34 15.624 -7.233 -2.900 1.00 41.43 C ATOM 535 CD LYS A 34 16.362 -6.579 -4.056 1.00 33.21 C ATOM 536 CE LYS A 34 17.670 -5.951 -3.599 1.00 40.23 C ATOM 537 NZ LYS A 34 18.239 -5.041 -4.632 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.539 -9.121 -4.336 1.00 22.24 H new ATOM 0 HA LYS A 34 14.623 -10.388 -2.051 1.00 23.21 H new ATOM 0 HB2 LYS A 34 16.492 -9.159 -2.561 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.658 -9.007 -4.095 1.00 53.34 H new ATOM 0 HG2 LYS A 34 14.602 -6.856 -2.859 1.00 41.43 H new ATOM 0 HG3 LYS A 34 16.102 -6.959 -1.960 1.00 41.43 H new ATOM 0 HD2 LYS A 34 16.564 -7.322 -4.827 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.729 -5.815 -4.508 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.503 -5.394 -2.677 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.390 -6.737 -3.371 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 19.130 -4.633 -4.283 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 18.422 -5.577 -5.504 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.563 -4.276 -4.831 1.00 30.42 H new ATOM 551 N THR A 35 14.359 -8.844 -0.065 1.00 41.14 N ATOM 552 CA THR A 35 13.958 -8.114 1.130 1.00 62.04 C ATOM 553 C THR A 35 15.124 -7.960 2.099 1.00 21.21 C ATOM 554 O THR A 35 16.203 -8.509 1.878 1.00 42.41 O ATOM 555 CB THR A 35 12.794 -8.818 1.854 1.00 73.14 C ATOM 556 OG1 THR A 35 13.291 -9.917 2.626 1.00 74.33 O ATOM 557 CG2 THR A 35 11.761 -9.320 0.857 1.00 21.11 C ATOM 0 H THR A 35 15.048 -9.577 0.100 1.00 41.14 H new ATOM 0 HA THR A 35 13.630 -7.128 0.802 1.00 62.04 H new ATOM 0 HB THR A 35 12.317 -8.095 2.516 1.00 73.14 H new ATOM 0 HG1 THR A 35 12.546 -10.358 3.084 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.949 -9.813 1.391 1.00 21.11 H new ATOM 0 HG22 THR A 35 11.363 -8.478 0.290 1.00 21.11 H new ATOM 0 HG23 THR A 35 12.229 -10.029 0.174 1.00 21.11 H new ATOM 565 N ALA A 36 14.901 -7.210 3.173 1.00 32.44 N ATOM 566 CA ALA A 36 15.934 -6.986 4.177 1.00 70.24 C ATOM 567 C ALA A 36 16.070 -8.189 5.102 1.00 54.21 C ATOM 568 O ALA A 36 17.063 -8.325 5.817 1.00 10.51 O ATOM 569 CB ALA A 36 15.625 -5.731 4.981 1.00 11.33 C ATOM 0 H ALA A 36 14.014 -6.747 3.370 1.00 32.44 H new ATOM 0 HA ALA A 36 16.884 -6.849 3.661 1.00 70.24 H new ATOM 0 HB1 ALA A 36 16.404 -5.576 5.727 1.00 11.33 H new ATOM 0 HB2 ALA A 36 15.586 -4.871 4.312 1.00 11.33 H new ATOM 0 HB3 ALA A 36 14.663 -5.846 5.480 1.00 11.33 H new ATOM 575 N SER A 37 15.066 -9.060 5.085 1.00 12.43 N ATOM 576 CA SER A 37 15.072 -10.251 5.926 1.00 24.12 C ATOM 577 C SER A 37 15.104 -11.517 5.076 1.00 71.45 C ATOM 578 O SER A 37 14.884 -12.620 5.576 1.00 35.33 O ATOM 579 CB SER A 37 13.843 -10.264 6.837 1.00 74.34 C ATOM 580 OG SER A 37 14.219 -10.315 8.202 1.00 31.32 O ATOM 0 H SER A 37 14.238 -8.963 4.498 1.00 12.43 H new ATOM 0 HA SER A 37 15.971 -10.226 6.542 1.00 24.12 H new ATOM 0 HB2 SER A 37 13.243 -9.373 6.655 1.00 74.34 H new ATOM 0 HB3 SER A 37 13.218 -11.124 6.597 1.00 74.34 H new ATOM 0 HG SER A 37 13.415 -10.321 8.763 1.00 31.32 H new ATOM 586 N GLY A 38 15.377 -11.350 3.786 1.00 20.32 N ATOM 587 CA GLY A 38 15.432 -12.486 2.885 1.00 11.02 C ATOM 588 C GLY A 38 14.780 -12.198 1.547 1.00 44.13 C ATOM 589 O GLY A 38 15.051 -11.171 0.925 1.00 2.10 O ATOM 0 H GLY A 38 15.561 -10.447 3.348 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.472 -12.769 2.725 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.938 -13.339 3.350 1.00 11.02 H new ATOM 593 N VAL A 39 13.919 -13.107 1.102 1.00 25.01 N ATOM 594 CA VAL A 39 13.227 -12.947 -0.171 1.00 53.13 C ATOM 595 C VAL A 39 11.816 -13.522 -0.106 1.00 4.40 C ATOM 596 O VAL A 39 11.591 -14.567 0.504 1.00 12.03 O ATOM 597 CB VAL A 39 13.996 -13.628 -1.317 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.808 -15.136 -1.266 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.549 -13.073 -2.662 1.00 44.20 C ATOM 0 H VAL A 39 13.684 -13.963 1.605 1.00 25.01 H new ATOM 0 HA VAL A 39 13.170 -11.876 -0.368 1.00 53.13 H new ATOM 0 HB VAL A 39 15.058 -13.414 -1.195 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.359 -15.599 -2.084 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.181 -15.517 -0.315 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.749 -15.374 -1.362 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.103 -13.566 -3.461 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.482 -13.255 -2.794 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.741 -12.001 -2.695 1.00 44.20 H new ATOM 609 N GLU A 40 10.873 -12.835 -0.740 1.00 32.42 N ATOM 610 CA GLU A 40 9.484 -13.279 -0.754 1.00 60.10 C ATOM 611 C GLU A 40 9.183 -14.085 -2.014 1.00 42.53 C ATOM 612 O GLU A 40 9.246 -13.563 -3.127 1.00 20.13 O ATOM 613 CB GLU A 40 8.540 -12.077 -0.667 1.00 24.13 C ATOM 614 CG GLU A 40 8.982 -11.028 0.340 1.00 11.04 C ATOM 615 CD GLU A 40 7.824 -10.460 1.137 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.677 -10.523 0.643 1.00 60.43 O ATOM 617 OE2 GLU A 40 8.062 -9.953 2.252 1.00 55.13 O1- ATOM 0 H GLU A 40 11.044 -11.969 -1.251 1.00 32.42 H new ATOM 0 HA GLU A 40 9.326 -13.920 0.113 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.463 -11.614 -1.651 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.543 -12.427 -0.400 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.707 -11.469 1.024 1.00 11.04 H new ATOM 0 HG3 GLU A 40 9.490 -10.218 -0.184 1.00 11.04 H new ATOM 624 N GLN A 41 8.858 -15.361 -1.830 1.00 42.11 N ATOM 625 CA GLN A 41 8.548 -16.240 -2.951 1.00 75.52 C ATOM 626 C GLN A 41 7.073 -16.146 -3.326 1.00 53.35 C ATOM 627 O GLN A 41 6.229 -15.829 -2.487 1.00 61.42 O ATOM 628 CB GLN A 41 8.909 -17.686 -2.607 1.00 53.24 C ATOM 629 CG GLN A 41 10.389 -17.895 -2.329 1.00 24.20 C ATOM 630 CD GLN A 41 11.147 -18.392 -3.544 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.554 -18.904 -4.493 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.466 -18.242 -3.521 1.00 4.21 N ATOM 0 H GLN A 41 8.803 -15.809 -0.915 1.00 42.11 H new ATOM 0 HA GLN A 41 9.142 -15.919 -3.807 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.336 -17.996 -1.733 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.608 -18.333 -3.431 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.827 -16.956 -1.991 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.504 -18.611 -1.516 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.916 -17.812 -2.713 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.029 -18.557 -4.311 1.00 4.21 H new ATOM 641 N TRP A 42 6.771 -16.423 -4.589 1.00 43.02 N ATOM 642 CA TRP A 42 5.396 -16.369 -5.075 1.00 5.44 C ATOM 643 C TRP A 42 5.193 -17.330 -6.241 1.00 60.44 C ATOM 644 O TRP A 42 6.066 -17.472 -7.099 1.00 11.52 O ATOM 645 CB TRP A 42 5.040 -14.945 -5.503 1.00 34.30 C ATOM 646 CG TRP A 42 5.080 -13.958 -4.375 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.146 -13.196 -3.990 1.00 55.51 C ATOM 648 CD2 TRP A 42 4.006 -13.629 -3.487 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.800 -12.413 -2.915 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.492 -12.659 -2.588 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.682 -14.056 -3.364 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.700 -12.114 -1.582 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.896 -13.515 -2.365 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.407 -12.551 -1.485 1.00 22.13 C ATOM 0 H TRP A 42 7.458 -16.687 -5.295 1.00 43.02 H new ATOM 0 HA TRP A 42 4.737 -16.671 -4.261 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.731 -14.624 -6.282 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.042 -14.944 -5.942 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.118 -13.207 -4.461 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.417 -11.755 -2.438 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.279 -14.797 -4.039 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 4.092 -11.372 -0.902 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.871 -13.840 -2.260 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.767 -12.145 -0.715 1.00 22.13 H new ATOM 665 N ILE A 43 4.039 -17.986 -6.267 1.00 22.22 N ATOM 666 CA ILE A 43 3.722 -18.932 -7.329 1.00 14.53 C ATOM 667 C ILE A 43 2.567 -18.427 -8.189 1.00 73.12 C ATOM 668 O ILE A 43 1.462 -18.204 -7.694 1.00 34.33 O ATOM 669 CB ILE A 43 3.356 -20.316 -6.761 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.477 -20.832 -5.857 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.086 -21.299 -7.891 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.101 -20.873 -4.393 1.00 2.14 C ATOM 0 H ILE A 43 3.307 -17.880 -5.564 1.00 22.22 H new ATOM 0 HA ILE A 43 4.617 -19.026 -7.944 1.00 14.53 H new ATOM 0 HB ILE A 43 2.448 -20.219 -6.165 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.761 -21.834 -6.179 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.354 -20.197 -5.981 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.829 -22.272 -7.473 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.258 -20.935 -8.500 1.00 31.11 H new ATOM 0 HG23 ILE A 43 3.977 -21.395 -8.511 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.943 -21.249 -3.812 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.846 -19.869 -4.055 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.243 -21.531 -4.256 1.00 2.14 H new ATOM 684 N VAL A 44 2.831 -18.251 -9.480 1.00 32.54 N ATOM 685 CA VAL A 44 1.813 -17.776 -10.409 1.00 1.41 C ATOM 686 C VAL A 44 1.700 -18.697 -11.619 1.00 62.00 C ATOM 687 O VAL A 44 2.537 -18.659 -12.522 1.00 64.24 O ATOM 688 CB VAL A 44 2.119 -16.346 -10.894 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.355 -15.326 -10.062 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.615 -16.076 -10.843 1.00 14.24 C ATOM 0 H VAL A 44 3.740 -18.430 -9.906 1.00 32.54 H new ATOM 0 HA VAL A 44 0.867 -17.774 -9.867 1.00 1.41 H new ATOM 0 HB VAL A 44 1.792 -16.253 -11.930 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.583 -14.322 -10.418 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.285 -15.509 -10.154 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.649 -15.415 -9.016 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.814 -15.062 -11.189 1.00 14.24 H new ATOM 0 HG22 VAL A 44 3.970 -16.186 -9.818 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.135 -16.787 -11.485 1.00 14.24 H new ATOM 700 N ASP A 45 0.661 -19.523 -11.632 1.00 45.32 N ATOM 701 CA ASP A 45 0.437 -20.454 -12.732 1.00 21.31 C ATOM 702 C ASP A 45 -0.264 -19.762 -13.896 1.00 43.53 C ATOM 703 O ASP A 45 -0.972 -18.772 -13.708 1.00 12.42 O ATOM 704 CB ASP A 45 -0.394 -21.648 -12.258 1.00 64.12 C ATOM 705 CG ASP A 45 -1.451 -22.054 -13.265 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.489 -21.366 -13.348 1.00 21.05 O ATOM 707 OD2 ASP A 45 -1.239 -23.061 -13.973 1.00 51.12 O1- ATOM 0 H ASP A 45 -0.040 -19.567 -10.893 1.00 45.32 H new ATOM 0 HA ASP A 45 1.408 -20.810 -13.076 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.266 -22.494 -12.068 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.874 -21.400 -11.312 1.00 64.12 H new ATOM 712 N LEU A 46 -0.061 -20.286 -15.099 1.00 52.01 N ATOM 713 CA LEU A 46 -0.673 -19.718 -16.295 1.00 33.22 C ATOM 714 C LEU A 46 -1.726 -20.661 -16.868 1.00 13.22 C ATOM 715 O LEU A 46 -2.533 -20.269 -17.712 1.00 72.41 O ATOM 716 CB LEU A 46 0.396 -19.428 -17.350 1.00 61.21 C ATOM 717 CG LEU A 46 1.546 -20.431 -17.434 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.108 -20.483 -18.846 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.638 -20.075 -16.436 1.00 32.43 C ATOM 0 H LEU A 46 0.523 -21.104 -15.273 1.00 52.01 H new ATOM 0 HA LEU A 46 -1.161 -18.785 -16.015 1.00 33.22 H new ATOM 0 HB2 LEU A 46 -0.089 -19.379 -18.325 1.00 61.21 H new ATOM 0 HB3 LEU A 46 0.815 -18.441 -17.152 1.00 61.21 H new ATOM 0 HG LEU A 46 1.160 -21.419 -17.183 1.00 13.54 H new ATOM 0 HD11 LEU A 46 2.926 -21.203 -18.886 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.323 -20.787 -19.539 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.478 -19.497 -19.127 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.449 -20.800 -16.510 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.021 -19.078 -16.656 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.228 -20.091 -15.426 1.00 32.43 H new ATOM 731 N LYS A 47 -1.716 -21.906 -16.404 1.00 32.14 N ATOM 732 CA LYS A 47 -2.672 -22.904 -16.866 1.00 73.41 C ATOM 733 C LYS A 47 -4.088 -22.544 -16.432 1.00 25.15 C ATOM 734 O LYS A 47 -5.010 -22.527 -17.246 1.00 30.54 O ATOM 735 CB LYS A 47 -2.297 -24.287 -16.327 1.00 12.14 C ATOM 736 CG LYS A 47 -0.817 -24.606 -16.445 1.00 71.22 C ATOM 737 CD LYS A 47 -0.589 -25.977 -17.060 1.00 44.04 C ATOM 738 CE LYS A 47 -0.351 -27.033 -15.992 1.00 52.41 C ATOM 739 NZ LYS A 47 0.346 -28.229 -16.543 1.00 64.34 N1+ ATOM 0 H LYS A 47 -1.055 -22.248 -15.707 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.640 -22.924 -17.955 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.591 -24.351 -15.279 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.867 -25.044 -16.865 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.328 -23.847 -17.055 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.356 -24.568 -15.458 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.454 -26.255 -17.662 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.268 -25.938 -17.732 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.243 -26.606 -15.184 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -1.305 -27.335 -15.560 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 0.490 -28.926 -15.785 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -0.233 -28.652 -17.297 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.268 -27.945 -16.932 1.00 64.34 H new ATOM 753 N GLN A 48 -4.252 -22.255 -15.146 1.00 45.21 N ATOM 754 CA GLN A 48 -5.557 -21.893 -14.604 1.00 10.22 C ATOM 755 C GLN A 48 -5.581 -20.432 -14.171 1.00 4.23 C ATOM 756 O GLN A 48 -6.607 -19.925 -13.714 1.00 2.01 O ATOM 757 CB GLN A 48 -5.908 -22.795 -13.419 1.00 63.24 C ATOM 758 CG GLN A 48 -5.961 -24.273 -13.773 1.00 72.31 C ATOM 759 CD GLN A 48 -6.424 -25.134 -12.615 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.259 -26.024 -12.784 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.883 -24.875 -11.431 1.00 43.10 N ATOM 0 H GLN A 48 -3.498 -22.264 -14.459 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.300 -22.031 -15.390 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.172 -22.645 -12.629 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.874 -22.492 -13.016 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.633 -24.416 -14.619 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.972 -24.602 -14.093 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -5.195 -24.128 -11.337 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -6.155 -25.423 -10.615 1.00 43.10 H new ATOM 770 N LEU A 49 -4.445 -19.758 -14.315 1.00 40.44 N ATOM 771 CA LEU A 49 -4.335 -18.353 -13.938 1.00 12.54 C ATOM 772 C LEU A 49 -4.645 -18.161 -12.457 1.00 71.02 C ATOM 773 O LEU A 49 -5.760 -17.788 -12.088 1.00 2.15 O ATOM 774 CB LEU A 49 -5.283 -17.502 -14.784 1.00 75.10 C ATOM 775 CG LEU A 49 -4.896 -17.324 -16.252 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.456 -16.850 -16.371 1.00 31.41 C ATOM 777 CD2 LEU A 49 -5.095 -18.624 -17.018 1.00 22.10 C ATOM 0 H LEU A 49 -3.587 -20.162 -14.690 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.309 -18.033 -14.120 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.276 -17.950 -14.743 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.359 -16.515 -14.327 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.545 -16.565 -16.689 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.199 -16.729 -17.423 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.344 -15.895 -15.858 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.792 -17.586 -15.917 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.814 -18.478 -18.061 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.471 -19.403 -16.580 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -6.142 -18.923 -16.962 1.00 22.10 H new ATOM 789 N LYS A 50 -3.653 -18.417 -11.611 1.00 54.03 N ATOM 790 CA LYS A 50 -3.818 -18.269 -10.170 1.00 73.12 C ATOM 791 C LYS A 50 -2.561 -17.681 -9.536 1.00 13.13 C ATOM 792 O LYS A 50 -1.573 -17.418 -10.222 1.00 33.05 O ATOM 793 CB LYS A 50 -4.138 -19.622 -9.531 1.00 23.41 C ATOM 794 CG LYS A 50 -3.031 -20.649 -9.693 1.00 12.24 C ATOM 795 CD LYS A 50 -2.179 -20.752 -8.439 1.00 71.24 C ATOM 796 CE LYS A 50 -2.393 -22.080 -7.728 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.083 -23.238 -8.610 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.725 -18.728 -11.899 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.648 -17.585 -9.993 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.333 -19.475 -8.469 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.054 -20.015 -9.972 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.466 -21.622 -9.919 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.402 -20.377 -10.540 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.127 -20.645 -8.703 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.424 -19.933 -7.763 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.763 -22.122 -6.839 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.427 -22.148 -7.389 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -1.729 -24.028 -8.034 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -2.945 -23.534 -9.111 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.358 -22.963 -9.303 1.00 41.23 H new ATOM 811 N VAL A 51 -2.606 -17.477 -8.223 1.00 11.01 N ATOM 812 CA VAL A 51 -1.471 -16.923 -7.497 1.00 51.13 C ATOM 813 C VAL A 51 -1.390 -17.492 -6.085 1.00 24.24 C ATOM 814 O VAL A 51 -2.412 -17.775 -5.460 1.00 11.33 O ATOM 815 CB VAL A 51 -1.552 -15.386 -7.416 1.00 74.54 C ATOM 816 CG1 VAL A 51 -0.265 -14.812 -6.843 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.846 -14.795 -8.787 1.00 51.31 C ATOM 0 H VAL A 51 -3.417 -17.687 -7.641 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.575 -17.204 -8.050 1.00 51.13 H new ATOM 0 HB VAL A 51 -2.370 -15.118 -6.747 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -0.341 -13.726 -6.794 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -0.103 -15.210 -5.841 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.573 -15.088 -7.483 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.900 -13.709 -8.711 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -1.052 -15.071 -9.480 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.798 -15.181 -9.153 1.00 51.31 H new ATOM 827 N ASP A 52 -0.170 -17.656 -5.588 1.00 34.02 N ATOM 828 CA ASP A 52 0.045 -18.190 -4.248 1.00 10.05 C ATOM 829 C ASP A 52 1.376 -17.709 -3.678 1.00 41.12 C ATOM 830 O ASP A 52 2.211 -17.168 -4.401 1.00 32.23 O ATOM 831 CB ASP A 52 0.009 -19.718 -4.273 1.00 62.44 C ATOM 832 CG ASP A 52 -0.726 -20.261 -5.484 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.057 -20.614 -6.476 1.00 40.15 O ATOM 834 OD2 ASP A 52 -1.972 -20.332 -5.436 1.00 41.01 O1- ATOM 0 H ASP A 52 0.686 -17.427 -6.093 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.757 -17.826 -3.606 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.029 -20.103 -4.268 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.473 -20.082 -3.366 1.00 62.44 H new ATOM 839 N GLN A 53 1.565 -17.912 -2.379 1.00 45.12 N ATOM 840 CA GLN A 53 2.794 -17.497 -1.712 1.00 63.05 C ATOM 841 C GLN A 53 3.791 -18.650 -1.642 1.00 31.52 C ATOM 842 O GLN A 53 3.421 -19.814 -1.794 1.00 43.42 O ATOM 843 CB GLN A 53 2.488 -16.986 -0.303 1.00 21.35 C ATOM 844 CG GLN A 53 2.652 -18.044 0.776 1.00 51.34 C ATOM 845 CD GLN A 53 4.075 -18.132 1.295 1.00 13.11 C ATOM 846 OE1 GLN A 53 4.662 -19.213 1.350 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.637 -16.992 1.678 1.00 1.42 N ATOM 0 H GLN A 53 0.884 -18.361 -1.767 1.00 45.12 H new ATOM 0 HA GLN A 53 3.239 -16.690 -2.294 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.145 -16.146 -0.079 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.466 -16.607 -0.277 1.00 21.35 H new ATOM 0 HG2 GLN A 53 1.980 -17.820 1.605 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.354 -19.014 0.377 1.00 51.34 H new ATOM 0 HE21 GLN A 53 4.113 -16.119 1.615 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.592 -16.989 2.035 1.00 1.42 H new ATOM 856 N GLY A 54 5.058 -18.318 -1.412 1.00 60.23 N ATOM 857 CA GLY A 54 6.088 -19.336 -1.326 1.00 32.11 C ATOM 858 C GLY A 54 6.595 -19.763 -2.690 1.00 61.12 C ATOM 859 O GLY A 54 6.467 -19.026 -3.667 1.00 34.53 O ATOM 0 H GLY A 54 5.389 -17.362 -1.284 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.921 -18.957 -0.734 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.693 -20.205 -0.800 1.00 32.11 H new ATOM 863 N VAL A 55 7.172 -20.958 -2.756 1.00 63.32 N ATOM 864 CA VAL A 55 7.700 -21.484 -4.010 1.00 0.23 C ATOM 865 C VAL A 55 6.973 -22.759 -4.422 1.00 31.05 C ATOM 866 O VAL A 55 6.558 -23.550 -3.575 1.00 13.53 O ATOM 867 CB VAL A 55 9.209 -21.778 -3.903 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.479 -22.784 -2.796 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.748 -22.279 -5.234 1.00 61.54 C ATOM 0 H VAL A 55 7.286 -21.581 -1.956 1.00 63.32 H new ATOM 0 HA VAL A 55 7.539 -20.717 -4.768 1.00 0.23 H new ATOM 0 HB VAL A 55 9.726 -20.852 -3.653 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.550 -22.979 -2.735 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.129 -22.382 -1.845 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.952 -23.713 -3.013 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.815 -22.482 -5.141 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.228 -23.194 -5.516 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.588 -21.520 -6.000 1.00 61.54 H new ATOM 879 N PHE A 56 6.822 -22.952 -5.727 1.00 21.01 N ATOM 880 CA PHE A 56 6.143 -24.130 -6.253 1.00 21.13 C ATOM 881 C PHE A 56 7.053 -25.355 -6.190 1.00 72.32 C ATOM 882 O PHE A 56 8.269 -25.231 -6.049 1.00 54.15 O ATOM 883 CB PHE A 56 5.697 -23.888 -7.696 1.00 15.22 C ATOM 884 CG PHE A 56 4.750 -24.931 -8.214 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.032 -25.624 -9.380 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.577 -25.220 -7.536 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.163 -26.586 -9.860 1.00 22.55 C ATOM 888 CE2 PHE A 56 2.704 -26.181 -8.010 1.00 40.34 C ATOM 889 CZ PHE A 56 2.997 -26.864 -9.175 1.00 32.22 C ATOM 0 H PHE A 56 7.161 -22.307 -6.441 1.00 21.01 H new ATOM 0 HA PHE A 56 5.265 -24.317 -5.635 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.219 -22.911 -7.761 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.577 -23.856 -8.339 1.00 15.22 H new ATOM 0 HD1 PHE A 56 5.942 -25.410 -9.921 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.342 -24.688 -6.626 1.00 11.02 H new ATOM 0 HE1 PHE A 56 4.396 -27.119 -10.770 1.00 22.55 H new ATOM 0 HE2 PHE A 56 1.794 -26.398 -7.470 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.315 -27.614 -9.549 1.00 32.22 H new ATOM 899 N ALA A 57 6.454 -26.536 -6.295 1.00 32.10 N ATOM 900 CA ALA A 57 7.208 -27.782 -6.251 1.00 4.40 C ATOM 901 C ALA A 57 8.319 -27.788 -7.296 1.00 45.14 C ATOM 902 O ALA A 57 9.392 -28.348 -7.072 1.00 5.11 O ATOM 903 CB ALA A 57 6.280 -28.969 -6.460 1.00 15.14 C ATOM 0 H ALA A 57 5.448 -26.656 -6.411 1.00 32.10 H new ATOM 0 HA ALA A 57 7.669 -27.864 -5.267 1.00 4.40 H new ATOM 0 HB1 ALA A 57 6.857 -29.893 -6.425 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.524 -28.983 -5.674 1.00 15.14 H new ATOM 0 HB3 ALA A 57 5.792 -28.883 -7.431 1.00 15.14 H new ATOM 909 N SER A 58 8.055 -27.160 -8.438 1.00 54.32 N ATOM 910 CA SER A 58 9.031 -27.097 -9.519 1.00 12.25 C ATOM 911 C SER A 58 8.492 -26.282 -10.692 1.00 23.03 C ATOM 912 O SER A 58 7.966 -26.822 -11.665 1.00 74.33 O ATOM 913 CB SER A 58 9.396 -28.508 -9.989 1.00 24.15 C ATOM 914 OG SER A 58 10.604 -28.946 -9.393 1.00 63.33 O ATOM 0 H SER A 58 7.173 -26.688 -8.638 1.00 54.32 H new ATOM 0 HA SER A 58 9.926 -26.605 -9.138 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.591 -29.198 -9.737 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.497 -28.519 -11.074 1.00 24.15 H new ATOM 0 HG SER A 58 10.536 -28.865 -8.419 1.00 63.33 H new ATOM 920 N PRO A 59 8.626 -24.952 -10.596 1.00 64.12 N ATOM 921 CA PRO A 59 8.159 -24.032 -11.639 1.00 73.32 C ATOM 922 C PRO A 59 8.997 -24.125 -12.910 1.00 23.22 C ATOM 923 O PRO A 59 10.186 -24.441 -12.860 1.00 4.44 O ATOM 924 CB PRO A 59 8.317 -22.653 -10.994 1.00 61.42 C ATOM 925 CG PRO A 59 9.389 -22.834 -9.974 1.00 4.13 C ATOM 926 CD PRO A 59 9.244 -24.240 -9.465 1.00 10.03 C ATOM 0 HA PRO A 59 7.139 -24.256 -11.953 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.595 -21.900 -11.732 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.386 -22.321 -10.535 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.375 -22.678 -10.412 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.282 -22.113 -9.164 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.208 -24.672 -9.198 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.618 -24.282 -8.574 1.00 10.03 H new ATOM 934 N ASP A 60 8.370 -23.846 -14.047 1.00 20.31 N ATOM 935 CA ASP A 60 9.059 -23.896 -15.332 1.00 71.05 C ATOM 936 C ASP A 60 9.980 -22.693 -15.502 1.00 72.31 C ATOM 937 O ASP A 60 10.877 -22.698 -16.345 1.00 5.43 O ATOM 938 CB ASP A 60 8.045 -23.943 -16.476 1.00 60.31 C ATOM 939 CG ASP A 60 8.253 -25.138 -17.386 1.00 74.41 C ATOM 940 OD1 ASP A 60 8.423 -24.933 -18.607 1.00 62.40 O ATOM 941 OD2 ASP A 60 8.248 -26.279 -16.878 1.00 72.43 O1- ATOM 0 H ASP A 60 7.386 -23.583 -14.106 1.00 20.31 H new ATOM 0 HA ASP A 60 9.666 -24.801 -15.356 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.037 -23.976 -16.063 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.120 -23.027 -17.062 1.00 60.31 H new ATOM 946 N VAL A 61 9.752 -21.660 -14.696 1.00 23.13 N ATOM 947 CA VAL A 61 10.563 -20.450 -14.756 1.00 4.42 C ATOM 948 C VAL A 61 10.672 -19.793 -13.384 1.00 2.01 C ATOM 949 O VAL A 61 9.745 -19.855 -12.578 1.00 3.25 O ATOM 950 CB VAL A 61 9.978 -19.433 -15.754 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.765 -18.132 -15.714 1.00 0.55 C ATOM 952 CG2 VAL A 61 9.964 -20.014 -17.160 1.00 33.43 C ATOM 0 H VAL A 61 9.012 -21.637 -13.994 1.00 23.13 H new ATOM 0 HA VAL A 61 11.556 -20.750 -15.092 1.00 4.42 H new ATOM 0 HB VAL A 61 8.950 -19.217 -15.465 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.337 -17.426 -16.426 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.718 -17.709 -14.710 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.805 -18.327 -15.977 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.548 -19.282 -17.852 1.00 33.43 H new ATOM 0 HG22 VAL A 61 10.982 -20.261 -17.462 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.352 -20.916 -17.175 1.00 33.43 H new ATOM 962 N THR A 62 11.814 -19.163 -13.126 1.00 50.24 N ATOM 963 CA THR A 62 12.047 -18.495 -11.852 1.00 14.23 C ATOM 964 C THR A 62 12.394 -17.025 -12.057 1.00 31.34 C ATOM 965 O THR A 62 13.423 -16.696 -12.648 1.00 52.43 O ATOM 966 CB THR A 62 13.181 -19.173 -11.061 1.00 64.24 C ATOM 967 OG1 THR A 62 13.684 -20.296 -11.792 1.00 4.13 O ATOM 968 CG2 THR A 62 12.691 -19.629 -9.695 1.00 53.40 C ATOM 0 H THR A 62 12.592 -19.102 -13.783 1.00 50.24 H new ATOM 0 HA THR A 62 11.121 -18.571 -11.282 1.00 14.23 H new ATOM 0 HB THR A 62 13.980 -18.445 -10.918 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.044 -19.992 -12.651 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.510 -20.105 -9.155 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.336 -18.767 -9.130 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.876 -20.342 -9.820 1.00 53.40 H new ATOM 976 N VAL A 63 11.530 -16.142 -11.565 1.00 71.42 N ATOM 977 CA VAL A 63 11.747 -14.707 -11.694 1.00 52.44 C ATOM 978 C VAL A 63 12.286 -14.114 -10.396 1.00 12.25 C ATOM 979 O VAL A 63 11.733 -14.342 -9.319 1.00 15.12 O ATOM 980 CB VAL A 63 10.447 -13.975 -12.078 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.719 -12.498 -12.325 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.816 -14.621 -13.302 1.00 54.53 C ATOM 0 H VAL A 63 10.673 -16.396 -11.073 1.00 71.42 H new ATOM 0 HA VAL A 63 12.482 -14.568 -12.487 1.00 52.44 H new ATOM 0 HB VAL A 63 9.745 -14.057 -11.248 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.789 -11.997 -12.595 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.125 -12.046 -11.420 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.438 -12.391 -13.137 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.899 -14.092 -13.560 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.512 -14.571 -14.139 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.585 -15.664 -13.085 1.00 54.53 H new ATOM 992 N THR A 64 13.369 -13.351 -10.504 1.00 21.22 N ATOM 993 CA THR A 64 13.983 -12.725 -9.340 1.00 44.01 C ATOM 994 C THR A 64 14.065 -11.212 -9.508 1.00 25.10 C ATOM 995 O THR A 64 14.863 -10.707 -10.298 1.00 72.04 O ATOM 996 CB THR A 64 15.398 -13.279 -9.086 1.00 34.33 C ATOM 997 OG1 THR A 64 15.719 -14.270 -10.068 1.00 1.35 O ATOM 998 CG2 THR A 64 15.500 -13.885 -7.694 1.00 73.53 C ATOM 0 H THR A 64 13.839 -13.152 -11.387 1.00 21.22 H new ATOM 0 HA THR A 64 13.349 -12.959 -8.484 1.00 44.01 H new ATOM 0 HB THR A 64 16.106 -12.454 -9.158 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.620 -14.616 -9.901 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.508 -14.270 -7.538 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.283 -13.121 -6.948 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.782 -14.699 -7.598 1.00 73.53 H new ATOM 1006 N VAL A 65 13.235 -10.494 -8.759 1.00 24.10 N ATOM 1007 CA VAL A 65 13.214 -9.037 -8.824 1.00 44.40 C ATOM 1008 C VAL A 65 13.435 -8.422 -7.447 1.00 72.43 C ATOM 1009 O VAL A 65 13.423 -9.121 -6.434 1.00 51.43 O ATOM 1010 CB VAL A 65 11.881 -8.519 -9.397 1.00 33.51 C ATOM 1011 CG1 VAL A 65 11.854 -8.675 -10.909 1.00 53.11 C ATOM 1012 CG2 VAL A 65 10.708 -9.245 -8.757 1.00 61.51 C ATOM 0 H VAL A 65 12.568 -10.897 -8.100 1.00 24.10 H new ATOM 0 HA VAL A 65 14.026 -8.739 -9.487 1.00 44.40 H new ATOM 0 HB VAL A 65 11.793 -7.458 -9.163 1.00 33.51 H new ATOM 0 HG11 VAL A 65 10.905 -8.304 -11.296 1.00 53.11 H new ATOM 0 HG12 VAL A 65 12.673 -8.105 -11.348 1.00 53.11 H new ATOM 0 HG13 VAL A 65 11.965 -9.728 -11.168 1.00 53.11 H new ATOM 0 HG21 VAL A 65 9.775 -8.866 -9.174 1.00 61.51 H new ATOM 0 HG22 VAL A 65 10.788 -10.313 -8.958 1.00 61.51 H new ATOM 0 HG23 VAL A 65 10.719 -9.076 -7.680 1.00 61.51 H new ATOM 1022 N GLY A 66 13.637 -7.109 -7.415 1.00 71.14 N ATOM 1023 CA GLY A 66 13.857 -6.421 -6.157 1.00 41.23 C ATOM 1024 C GLY A 66 12.591 -5.790 -5.610 1.00 23.54 C ATOM 1025 O GLY A 66 11.633 -5.565 -6.350 1.00 73.14 O ATOM 0 H GLY A 66 13.652 -6.509 -8.239 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.253 -7.126 -5.426 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.613 -5.648 -6.297 1.00 41.23 H new ATOM 1029 N LEU A 67 12.586 -5.506 -4.312 1.00 13.24 N ATOM 1030 CA LEU A 67 11.427 -4.899 -3.668 1.00 45.22 C ATOM 1031 C LEU A 67 11.018 -3.614 -4.381 1.00 21.23 C ATOM 1032 O LEU A 67 9.909 -3.511 -4.904 1.00 45.23 O ATOM 1033 CB LEU A 67 11.733 -4.604 -2.198 1.00 52.23 C ATOM 1034 CG LEU A 67 10.549 -4.692 -1.234 1.00 43.21 C ATOM 1035 CD1 LEU A 67 10.101 -6.136 -1.070 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.912 -4.087 0.114 1.00 21.12 C ATOM 0 H LEU A 67 13.371 -5.686 -3.686 1.00 13.24 H new ATOM 0 HA LEU A 67 10.598 -5.605 -3.727 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.502 -5.299 -1.861 1.00 52.23 H new ATOM 0 HB3 LEU A 67 12.157 -3.602 -2.130 1.00 52.23 H new ATOM 0 HG LEU A 67 9.720 -4.122 -1.653 1.00 43.21 H new ATOM 0 HD11 LEU A 67 9.258 -6.179 -0.381 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.799 -6.535 -2.038 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.925 -6.730 -0.673 1.00 15.22 H new ATOM 0 HD21 LEU A 67 10.057 -4.159 0.787 1.00 21.12 H new ATOM 0 HD22 LEU A 67 11.756 -4.629 0.541 1.00 21.12 H new ATOM 0 HD23 LEU A 67 11.183 -3.040 -0.018 1.00 21.12 H new ATOM 1048 N GLU A 68 11.920 -2.640 -4.399 1.00 23.10 N ATOM 1049 CA GLU A 68 11.652 -1.363 -5.049 1.00 24.34 C ATOM 1050 C GLU A 68 11.394 -1.556 -6.541 1.00 61.31 C ATOM 1051 O GLU A 68 10.509 -0.922 -7.116 1.00 21.23 O ATOM 1052 CB GLU A 68 12.827 -0.403 -4.845 1.00 2.03 C ATOM 1053 CG GLU A 68 13.278 -0.295 -3.398 1.00 62.33 C ATOM 1054 CD GLU A 68 13.864 1.064 -3.069 1.00 54.24 C ATOM 1055 OE1 GLU A 68 13.829 1.454 -1.883 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.356 1.739 -3.998 1.00 60.41 O1- ATOM 0 H GLU A 68 12.843 -2.710 -3.971 1.00 23.10 H new ATOM 0 HA GLU A 68 10.759 -0.934 -4.594 1.00 24.34 H new ATOM 0 HB2 GLU A 68 13.667 -0.735 -5.455 1.00 2.03 H new ATOM 0 HB3 GLU A 68 12.544 0.587 -5.204 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.430 -0.489 -2.742 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.021 -1.066 -3.195 1.00 62.33 H new ATOM 1063 N ASP A 69 12.173 -2.435 -7.162 1.00 20.45 N ATOM 1064 CA ASP A 69 12.030 -2.713 -8.585 1.00 42.22 C ATOM 1065 C ASP A 69 10.612 -3.174 -8.909 1.00 43.43 C ATOM 1066 O ASP A 69 10.006 -2.718 -9.878 1.00 14.14 O ATOM 1067 CB ASP A 69 13.038 -3.776 -9.023 1.00 71.20 C ATOM 1068 CG ASP A 69 14.412 -3.554 -8.422 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.748 -2.389 -8.123 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.150 -4.546 -8.248 1.00 23.21 O1- ATOM 0 H ASP A 69 12.911 -2.967 -6.701 1.00 20.45 H new ATOM 0 HA ASP A 69 12.227 -1.791 -9.132 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.672 -4.761 -8.732 1.00 71.20 H new ATOM 0 HB3 ASP A 69 13.115 -3.773 -10.110 1.00 71.20 H new ATOM 1075 N MET A 70 10.090 -4.083 -8.092 1.00 54.02 N ATOM 1076 CA MET A 70 8.744 -4.606 -8.291 1.00 40.11 C ATOM 1077 C MET A 70 7.705 -3.496 -8.167 1.00 33.44 C ATOM 1078 O MET A 70 7.021 -3.160 -9.136 1.00 2.01 O ATOM 1079 CB MET A 70 8.447 -5.712 -7.277 1.00 64.44 C ATOM 1080 CG MET A 70 8.233 -7.077 -7.912 1.00 53.12 C ATOM 1081 SD MET A 70 6.537 -7.663 -7.742 1.00 44.35 S ATOM 1082 CE MET A 70 6.325 -8.541 -9.288 1.00 74.02 C ATOM 0 H MET A 70 10.579 -4.472 -7.286 1.00 54.02 H new ATOM 0 HA MET A 70 8.689 -5.021 -9.297 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.273 -5.775 -6.568 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.558 -5.442 -6.707 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.491 -7.026 -8.970 1.00 53.12 H new ATOM 0 HG3 MET A 70 8.910 -7.797 -7.453 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.797 -9.477 -9.106 1.00 74.02 H new ATOM 0 HE2 MET A 70 5.747 -7.927 -9.979 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.302 -8.755 -9.722 1.00 74.02 H new ATOM 1092 N LEU A 71 7.592 -2.929 -6.972 1.00 4.41 N ATOM 1093 CA LEU A 71 6.636 -1.856 -6.721 1.00 52.32 C ATOM 1094 C LEU A 71 6.808 -0.727 -7.732 1.00 50.24 C ATOM 1095 O LEU A 71 5.842 -0.063 -8.107 1.00 51.41 O ATOM 1096 CB LEU A 71 6.806 -1.314 -5.300 1.00 73.33 C ATOM 1097 CG LEU A 71 8.232 -0.939 -4.892 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.492 0.535 -5.156 1.00 1.03 C ATOM 1099 CD2 LEU A 71 8.471 -1.271 -3.427 1.00 30.51 C ATOM 0 H LEU A 71 8.151 -3.194 -6.161 1.00 4.41 H new ATOM 0 HA LEU A 71 5.632 -2.266 -6.828 1.00 52.32 H new ATOM 0 HB2 LEU A 71 6.174 -0.433 -5.191 1.00 73.33 H new ATOM 0 HB3 LEU A 71 6.434 -2.062 -4.600 1.00 73.33 H new ATOM 0 HG LEU A 71 8.928 -1.523 -5.494 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.511 0.783 -4.860 1.00 1.03 H new ATOM 0 HD12 LEU A 71 8.362 0.743 -6.218 1.00 1.03 H new ATOM 0 HD13 LEU A 71 7.790 1.137 -4.580 1.00 1.03 H new ATOM 0 HD21 LEU A 71 9.490 -0.998 -3.154 1.00 30.51 H new ATOM 0 HD22 LEU A 71 7.768 -0.714 -2.808 1.00 30.51 H new ATOM 0 HD23 LEU A 71 8.327 -2.340 -3.268 1.00 30.51 H new ATOM 1111 N ALA A 72 8.045 -0.515 -8.170 1.00 72.12 N ATOM 1112 CA ALA A 72 8.342 0.531 -9.141 1.00 10.33 C ATOM 1113 C ALA A 72 7.482 0.382 -10.391 1.00 3.31 C ATOM 1114 O ALA A 72 7.134 1.370 -11.038 1.00 20.22 O ATOM 1115 CB ALA A 72 9.819 0.505 -9.508 1.00 1.25 C ATOM 0 H ALA A 72 8.857 -1.053 -7.868 1.00 72.12 H new ATOM 0 HA ALA A 72 8.108 1.493 -8.685 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.027 1.291 -10.234 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.419 0.669 -8.613 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.069 -0.464 -9.940 1.00 1.25 H new ATOM 1121 N ILE A 73 7.143 -0.859 -10.726 1.00 10.35 N ATOM 1122 CA ILE A 73 6.324 -1.136 -11.898 1.00 70.44 C ATOM 1123 C ILE A 73 4.839 -1.053 -11.563 1.00 3.41 C ATOM 1124 O ILE A 73 4.106 -0.250 -12.139 1.00 51.33 O ATOM 1125 CB ILE A 73 6.628 -2.529 -12.482 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.140 -2.750 -12.567 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.987 -2.681 -13.853 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.523 -4.055 -13.229 1.00 20.44 C ATOM 0 H ILE A 73 7.423 -1.688 -10.202 1.00 10.35 H new ATOM 0 HA ILE A 73 6.571 -0.377 -12.641 1.00 70.44 H new ATOM 0 HB ILE A 73 6.205 -3.285 -11.820 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.589 -1.925 -13.121 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.560 -2.725 -11.561 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.211 -3.670 -14.252 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.907 -2.561 -13.765 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.383 -1.920 -14.526 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.609 -4.145 -13.255 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.103 -4.887 -12.663 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.133 -4.075 -14.247 1.00 20.44 H new ATOM 1140 N SER A 74 4.401 -1.887 -10.625 1.00 34.22 N ATOM 1141 CA SER A 74 3.003 -1.909 -10.213 1.00 34.44 C ATOM 1142 C SER A 74 2.546 -0.524 -9.766 1.00 12.00 C ATOM 1143 O SER A 74 1.357 -0.209 -9.800 1.00 4.54 O ATOM 1144 CB SER A 74 2.798 -2.916 -9.080 1.00 32.15 C ATOM 1145 OG SER A 74 2.313 -2.277 -7.911 1.00 43.53 O ATOM 0 H SER A 74 4.995 -2.557 -10.136 1.00 34.22 H new ATOM 0 HA SER A 74 2.403 -2.211 -11.071 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.094 -3.686 -9.396 1.00 32.15 H new ATOM 0 HB3 SER A 74 3.741 -3.417 -8.860 1.00 32.15 H new ATOM 0 HG SER A 74 3.069 -1.990 -7.358 1.00 43.53 H new ATOM 1151 N GLY A 75 3.502 0.300 -9.346 1.00 30.23 N ATOM 1152 CA GLY A 75 3.179 1.643 -8.898 1.00 71.54 C ATOM 1153 C GLY A 75 2.832 2.569 -10.046 1.00 52.41 C ATOM 1154 O GLY A 75 2.501 3.736 -9.834 1.00 72.55 O ATOM 0 H GLY A 75 4.493 0.062 -9.308 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.340 1.599 -8.204 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.026 2.053 -8.348 1.00 71.54 H new ATOM 1158 N LYS A 76 2.908 2.051 -11.267 1.00 72.22 N ATOM 1159 CA LYS A 76 2.601 2.840 -12.454 1.00 63.32 C ATOM 1160 C LYS A 76 3.679 3.888 -12.706 1.00 4.25 C ATOM 1161 O LYS A 76 3.545 4.733 -13.592 1.00 51.51 O ATOM 1162 CB LYS A 76 1.239 3.520 -12.301 1.00 43.21 C ATOM 1163 CG LYS A 76 1.330 5.019 -12.077 1.00 10.13 C ATOM 1164 CD LYS A 76 0.060 5.569 -11.448 1.00 41.34 C ATOM 1165 CE LYS A 76 -0.963 5.955 -12.504 1.00 40.22 C ATOM 1166 NZ LYS A 76 -1.919 6.980 -12.001 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.180 1.087 -11.461 1.00 72.22 H new ATOM 0 HA LYS A 76 2.570 2.165 -13.309 1.00 63.32 H new ATOM 0 HB2 LYS A 76 0.645 3.330 -13.195 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.708 3.067 -11.463 1.00 43.21 H new ATOM 0 HG2 LYS A 76 2.181 5.240 -11.433 1.00 10.13 H new ATOM 0 HG3 LYS A 76 1.512 5.519 -13.028 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.369 4.822 -10.780 1.00 41.34 H new ATOM 0 HD3 LYS A 76 0.302 6.440 -10.839 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -0.449 6.339 -13.385 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -1.513 5.068 -12.818 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -2.600 7.217 -12.750 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -2.428 6.604 -11.176 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -1.397 7.836 -11.725 1.00 53.25 H new ATOM 1180 N THR A 77 4.752 3.827 -11.921 1.00 13.43 N ATOM 1181 CA THR A 77 5.853 4.771 -12.060 1.00 43.43 C ATOM 1182 C THR A 77 6.832 4.321 -13.139 1.00 63.21 C ATOM 1183 O THR A 77 7.355 5.138 -13.896 1.00 21.54 O ATOM 1184 CB THR A 77 6.615 4.944 -10.732 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.525 3.855 -10.544 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.649 5.012 -9.558 1.00 61.23 C ATOM 0 H THR A 77 4.881 3.134 -11.184 1.00 13.43 H new ATOM 0 HA THR A 77 5.415 5.727 -12.347 1.00 43.43 H new ATOM 0 HB THR A 77 7.173 5.880 -10.778 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.040 3.007 -10.619 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.210 5.134 -8.632 1.00 61.23 H new ATOM 0 HG22 THR A 77 4.976 5.859 -9.689 1.00 61.23 H new ATOM 0 HG23 THR A 77 5.068 4.091 -9.511 1.00 61.23 H new ATOM 1194 N LEU A 78 7.074 3.017 -13.203 1.00 61.23 N ATOM 1195 CA LEU A 78 7.989 2.457 -14.192 1.00 64.41 C ATOM 1196 C LEU A 78 7.335 1.305 -14.949 1.00 4.21 C ATOM 1197 O LEU A 78 6.265 0.826 -14.571 1.00 64.35 O ATOM 1198 CB LEU A 78 9.271 1.972 -13.511 1.00 40.00 C ATOM 1199 CG LEU A 78 10.552 2.717 -13.887 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.716 2.242 -13.032 1.00 21.42 C ATOM 1201 CD2 LEU A 78 10.863 2.532 -15.365 1.00 52.03 C ATOM 0 H LEU A 78 6.650 2.327 -12.582 1.00 61.23 H new ATOM 0 HA LEU A 78 8.238 3.242 -14.907 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.135 2.044 -12.432 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.406 0.916 -13.745 1.00 40.00 H new ATOM 0 HG LEU A 78 10.400 3.780 -13.699 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.619 2.783 -13.314 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.495 2.427 -11.981 1.00 21.42 H new ATOM 0 HD13 LEU A 78 11.870 1.174 -13.187 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.778 3.069 -15.614 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.995 1.471 -15.579 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.039 2.923 -15.962 1.00 52.03 H new ATOM 1213 N THR A 79 7.988 0.861 -16.019 1.00 53.44 N ATOM 1214 CA THR A 79 7.471 -0.236 -16.828 1.00 2.24 C ATOM 1215 C THR A 79 8.479 -1.376 -16.917 1.00 31.21 C ATOM 1216 O THR A 79 9.690 -1.152 -16.883 1.00 53.42 O ATOM 1217 CB THR A 79 7.118 0.235 -18.251 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.285 0.751 -18.900 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.036 1.304 -18.215 1.00 71.32 C ATOM 0 H THR A 79 8.875 1.244 -16.345 1.00 53.44 H new ATOM 0 HA THR A 79 6.566 -0.593 -16.336 1.00 2.24 H new ATOM 0 HB THR A 79 6.741 -0.621 -18.810 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.052 1.047 -19.805 1.00 25.35 H new ATOM 0 HG21 THR A 79 5.804 1.621 -19.232 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.139 0.898 -17.747 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.389 2.160 -17.640 1.00 71.32 H new ATOM 1227 N VAL A 80 7.973 -2.600 -17.032 1.00 5.33 N ATOM 1228 CA VAL A 80 8.830 -3.775 -17.128 1.00 10.20 C ATOM 1229 C VAL A 80 9.885 -3.599 -18.214 1.00 63.11 C ATOM 1230 O VAL A 80 11.038 -3.990 -18.044 1.00 72.02 O ATOM 1231 CB VAL A 80 8.010 -5.044 -17.426 1.00 1.42 C ATOM 1232 CG1 VAL A 80 8.925 -6.254 -17.554 1.00 32.31 C ATOM 1233 CG2 VAL A 80 6.966 -5.270 -16.342 1.00 54.23 C ATOM 0 H VAL A 80 6.974 -2.803 -17.061 1.00 5.33 H new ATOM 0 HA VAL A 80 9.322 -3.887 -16.162 1.00 10.20 H new ATOM 0 HB VAL A 80 7.493 -4.906 -18.376 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.328 -7.141 -17.765 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.632 -6.091 -18.367 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.471 -6.397 -16.622 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.396 -6.171 -16.568 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.462 -5.387 -15.378 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.292 -4.414 -16.302 1.00 54.23 H new ATOM 1243 N GLY A 81 9.481 -3.006 -19.334 1.00 1.42 N ATOM 1244 CA GLY A 81 10.403 -2.787 -20.433 1.00 4.53 C ATOM 1245 C GLY A 81 11.589 -1.933 -20.032 1.00 72.43 C ATOM 1246 O GLY A 81 12.720 -2.196 -20.444 1.00 54.32 O ATOM 0 H GLY A 81 8.531 -2.673 -19.499 1.00 1.42 H new ATOM 0 HA2 GLY A 81 10.760 -3.749 -20.801 1.00 4.53 H new ATOM 0 HA3 GLY A 81 9.875 -2.306 -21.256 1.00 4.53 H new ATOM 1250 N ASP A 82 11.333 -0.905 -19.230 1.00 14.13 N ATOM 1251 CA ASP A 82 12.388 -0.008 -18.774 1.00 21.43 C ATOM 1252 C ASP A 82 13.306 -0.711 -17.779 1.00 23.42 C ATOM 1253 O ASP A 82 14.518 -0.497 -17.779 1.00 72.21 O ATOM 1254 CB ASP A 82 11.783 1.242 -18.134 1.00 22.14 C ATOM 1255 CG ASP A 82 11.835 2.446 -19.055 1.00 13.02 C ATOM 1256 OD1 ASP A 82 12.952 2.853 -19.438 1.00 14.15 O ATOM 1257 OD2 ASP A 82 10.759 2.981 -19.393 1.00 41.32 O1- ATOM 0 H ASP A 82 10.403 -0.672 -18.882 1.00 14.13 H new ATOM 0 HA ASP A 82 12.980 0.288 -19.640 1.00 21.43 H new ATOM 0 HB2 ASP A 82 10.747 1.042 -17.860 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.318 1.470 -17.212 1.00 22.14 H new ATOM 1262 N ALA A 83 12.720 -1.549 -16.931 1.00 45.42 N ATOM 1263 CA ALA A 83 13.485 -2.284 -15.931 1.00 21.54 C ATOM 1264 C ALA A 83 14.334 -3.371 -16.579 1.00 74.42 C ATOM 1265 O ALA A 83 15.466 -3.622 -16.159 1.00 71.11 O ATOM 1266 CB ALA A 83 12.551 -2.890 -14.893 1.00 12.34 C ATOM 0 H ALA A 83 11.717 -1.736 -16.916 1.00 45.42 H new ATOM 0 HA ALA A 83 14.156 -1.583 -15.435 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.135 -3.436 -14.152 1.00 12.34 H new ATOM 0 HB2 ALA A 83 11.991 -2.096 -14.400 1.00 12.34 H new ATOM 0 HB3 ALA A 83 11.857 -3.573 -15.383 1.00 12.34 H new ATOM 1272 N LEU A 84 13.784 -4.014 -17.603 1.00 41.30 N ATOM 1273 CA LEU A 84 14.493 -5.075 -18.311 1.00 72.41 C ATOM 1274 C LEU A 84 15.861 -4.596 -18.783 1.00 23.24 C ATOM 1275 O LEU A 84 16.879 -5.239 -18.527 1.00 61.34 O ATOM 1276 CB LEU A 84 13.668 -5.557 -19.505 1.00 54.12 C ATOM 1277 CG LEU A 84 13.371 -7.057 -19.553 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.644 -7.845 -19.813 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.714 -7.512 -18.258 1.00 24.15 C ATOM 0 H LEU A 84 12.849 -3.819 -17.962 1.00 41.30 H new ATOM 0 HA LEU A 84 14.639 -5.905 -17.619 1.00 72.41 H new ATOM 0 HB2 LEU A 84 12.720 -5.019 -19.507 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.193 -5.281 -20.419 1.00 54.12 H new ATOM 0 HG LEU A 84 12.679 -7.245 -20.374 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.413 -8.910 -19.844 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.073 -7.539 -20.767 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.361 -7.652 -19.015 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.510 -8.581 -18.310 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.382 -7.310 -17.421 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.779 -6.971 -18.115 1.00 24.15 H new ATOM 1291 N LYS A 85 15.879 -3.461 -19.473 1.00 13.23 N ATOM 1292 CA LYS A 85 17.122 -2.891 -19.980 1.00 53.44 C ATOM 1293 C LYS A 85 18.155 -2.762 -18.865 1.00 73.11 C ATOM 1294 O LYS A 85 19.313 -3.143 -19.034 1.00 1.12 O ATOM 1295 CB LYS A 85 16.860 -1.520 -20.608 1.00 25.42 C ATOM 1296 CG LYS A 85 17.298 -1.423 -22.059 1.00 52.24 C ATOM 1297 CD LYS A 85 17.076 -0.027 -22.616 1.00 12.13 C ATOM 1298 CE LYS A 85 15.597 0.260 -22.828 1.00 30.01 C ATOM 1299 NZ LYS A 85 15.048 1.153 -21.770 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.045 -2.917 -19.694 1.00 13.23 H new ATOM 0 HA LYS A 85 17.517 -3.563 -20.742 1.00 53.44 H new ATOM 0 HB2 LYS A 85 15.795 -1.297 -20.543 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.381 -0.758 -20.028 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.353 -1.684 -22.140 1.00 52.24 H new ATOM 0 HG3 LYS A 85 16.744 -2.147 -22.657 1.00 52.24 H new ATOM 0 HD2 LYS A 85 17.496 0.710 -21.932 1.00 12.13 H new ATOM 0 HD3 LYS A 85 17.607 0.077 -23.562 1.00 12.13 H new ATOM 0 HE2 LYS A 85 15.453 0.723 -23.804 1.00 30.01 H new ATOM 0 HE3 LYS A 85 15.042 -0.678 -22.835 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 14.011 1.176 -21.839 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 15.325 0.794 -20.834 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 15.424 2.114 -21.897 1.00 0.02 H new ATOM 1313 N GLN A 86 17.727 -2.226 -17.726 1.00 11.43 N ATOM 1314 CA GLN A 86 18.616 -2.048 -16.584 1.00 53.23 C ATOM 1315 C GLN A 86 18.953 -3.391 -15.943 1.00 21.22 C ATOM 1316 O GLN A 86 19.958 -3.522 -15.246 1.00 41.42 O ATOM 1317 CB GLN A 86 17.974 -1.122 -15.550 1.00 12.42 C ATOM 1318 CG GLN A 86 17.389 0.145 -16.150 1.00 73.05 C ATOM 1319 CD GLN A 86 17.151 1.225 -15.113 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.074 1.940 -14.722 1.00 72.11 O ATOM 1321 NE2 GLN A 86 15.908 1.350 -14.662 1.00 61.43 N ATOM 0 H GLN A 86 16.771 -1.908 -17.570 1.00 11.43 H new ATOM 0 HA GLN A 86 19.540 -1.594 -16.942 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.186 -1.665 -15.028 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.721 -0.850 -14.804 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.064 0.525 -16.917 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.447 -0.093 -16.644 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.174 0.736 -15.014 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.688 2.060 -13.964 1.00 61.43 H new ATOM 1330 N GLY A 87 18.104 -4.385 -16.183 1.00 0.43 N ATOM 1331 CA GLY A 87 18.328 -5.705 -15.621 1.00 2.32 C ATOM 1332 C GLY A 87 17.786 -5.834 -14.211 1.00 44.42 C ATOM 1333 O GLY A 87 18.452 -6.377 -13.329 1.00 32.22 O ATOM 0 H GLY A 87 17.265 -4.300 -16.757 1.00 0.43 H new ATOM 0 HA2 GLY A 87 17.856 -6.453 -16.258 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.397 -5.918 -15.617 1.00 2.32 H new ATOM 1337 N LYS A 88 16.574 -5.334 -13.997 1.00 21.33 N ATOM 1338 CA LYS A 88 15.941 -5.394 -12.685 1.00 11.34 C ATOM 1339 C LYS A 88 15.394 -6.792 -12.409 1.00 1.12 C ATOM 1340 O LYS A 88 15.390 -7.252 -11.267 1.00 61.44 O ATOM 1341 CB LYS A 88 14.812 -4.366 -12.591 1.00 75.34 C ATOM 1342 CG LYS A 88 15.283 -2.931 -12.749 1.00 24.51 C ATOM 1343 CD LYS A 88 15.515 -2.268 -11.402 1.00 73.13 C ATOM 1344 CE LYS A 88 16.888 -2.609 -10.842 1.00 11.13 C ATOM 1345 NZ LYS A 88 17.177 -1.863 -9.587 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.010 -4.882 -14.716 1.00 21.33 H new ATOM 0 HA LYS A 88 16.697 -5.163 -11.934 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.069 -4.583 -13.359 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.314 -4.472 -11.627 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.206 -2.912 -13.329 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.542 -2.364 -13.312 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.422 -1.187 -11.506 1.00 73.13 H new ATOM 0 HD3 LYS A 88 14.745 -2.588 -10.700 1.00 73.13 H new ATOM 0 HE2 LYS A 88 16.945 -3.680 -10.649 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.651 -2.378 -11.585 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 18.030 -2.255 -9.139 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.332 -0.859 -9.808 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 16.371 -1.954 -8.936 1.00 30.44 H new ATOM 1359 N ILE A 89 14.938 -7.462 -13.461 1.00 4.34 N ATOM 1360 CA ILE A 89 14.392 -8.807 -13.331 1.00 61.10 C ATOM 1361 C ILE A 89 15.422 -9.859 -13.729 1.00 40.34 C ATOM 1362 O ILE A 89 16.110 -9.717 -14.739 1.00 73.31 O ATOM 1363 CB ILE A 89 13.130 -8.988 -14.196 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.161 -7.825 -13.973 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.456 -10.314 -13.877 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.629 -7.227 -15.257 1.00 63.11 C ATOM 0 H ILE A 89 14.936 -7.096 -14.413 1.00 4.34 H new ATOM 0 HA ILE A 89 14.126 -8.940 -12.282 1.00 61.10 H new ATOM 0 HB ILE A 89 13.424 -8.995 -15.245 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.323 -8.172 -13.369 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.666 -7.047 -13.401 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.566 -10.428 -14.496 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.147 -11.132 -14.081 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.171 -10.334 -12.825 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.949 -6.408 -15.023 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.459 -6.849 -15.854 1.00 63.11 H new ATOM 0 HD13 ILE A 89 11.095 -7.992 -15.821 1.00 63.11 H new ATOM 1378 N GLU A 90 15.521 -10.916 -12.928 1.00 44.31 N ATOM 1379 CA GLU A 90 16.466 -11.992 -13.198 1.00 3.44 C ATOM 1380 C GLU A 90 15.783 -13.146 -13.925 1.00 63.21 C ATOM 1381 O GLU A 90 14.597 -13.409 -13.722 1.00 12.42 O ATOM 1382 CB GLU A 90 17.089 -12.494 -11.893 1.00 21.54 C ATOM 1383 CG GLU A 90 18.559 -12.144 -11.746 1.00 21.32 C ATOM 1384 CD GLU A 90 19.414 -13.349 -11.404 1.00 53.14 C ATOM 1385 OE1 GLU A 90 20.209 -13.259 -10.445 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.289 -14.381 -12.096 1.00 73.11 O1- ATOM 0 H GLU A 90 14.958 -11.049 -12.088 1.00 44.31 H new ATOM 0 HA GLU A 90 17.254 -11.596 -13.839 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.538 -12.073 -11.052 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.975 -13.577 -11.839 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.918 -11.700 -12.675 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.673 -11.390 -10.968 1.00 21.32 H new ATOM 1393 N LEU A 91 16.540 -13.834 -14.773 1.00 41.35 N ATOM 1394 CA LEU A 91 16.009 -14.960 -15.532 1.00 12.31 C ATOM 1395 C LEU A 91 16.642 -16.272 -15.075 1.00 71.23 C ATOM 1396 O LEU A 91 17.863 -16.423 -15.095 1.00 24.34 O ATOM 1397 CB LEU A 91 16.257 -14.756 -17.028 1.00 34.35 C ATOM 1398 CG LEU A 91 15.738 -13.446 -17.620 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.155 -13.317 -19.077 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.225 -13.361 -17.487 1.00 15.23 C ATOM 0 H LEU A 91 17.524 -13.631 -14.952 1.00 41.35 H new ATOM 0 HA LEU A 91 14.935 -15.013 -15.352 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.330 -14.814 -17.209 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.797 -15.583 -17.569 1.00 34.35 H new ATOM 0 HG LEU A 91 16.178 -12.619 -17.062 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.777 -12.378 -19.482 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.243 -13.330 -19.147 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.745 -14.150 -19.648 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.874 -12.421 -17.914 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.766 -14.195 -18.018 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.949 -13.406 -16.433 1.00 15.23 H new ATOM 1412 N SER A 92 15.802 -17.217 -14.665 1.00 62.30 N ATOM 1413 CA SER A 92 16.280 -18.515 -14.203 1.00 12.01 C ATOM 1414 C SER A 92 15.372 -19.636 -14.699 1.00 53.43 C ATOM 1415 O SER A 92 14.225 -19.759 -14.269 1.00 42.11 O ATOM 1416 CB SER A 92 16.351 -18.539 -12.675 1.00 32.04 C ATOM 1417 OG SER A 92 15.950 -17.296 -12.125 1.00 24.24 O ATOM 0 H SER A 92 14.788 -17.108 -14.643 1.00 62.30 H new ATOM 0 HA SER A 92 17.279 -18.674 -14.610 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.711 -19.333 -12.291 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.369 -18.768 -12.359 1.00 32.04 H new ATOM 0 HG SER A 92 15.003 -17.141 -12.323 1.00 24.24 H new ATOM 1423 N GLY A 93 15.895 -20.454 -15.609 1.00 72.14 N ATOM 1424 CA GLY A 93 15.119 -21.555 -16.149 1.00 41.14 C ATOM 1425 C GLY A 93 14.816 -21.379 -17.624 1.00 52.41 C ATOM 1426 O GLY A 93 15.591 -21.806 -18.480 1.00 72.03 O ATOM 0 H GLY A 93 16.841 -20.373 -15.981 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.664 -22.487 -16.001 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.183 -21.642 -15.596 1.00 41.14 H new ATOM 1430 N ASP A 94 13.683 -20.752 -17.923 1.00 50.01 N ATOM 1431 CA ASP A 94 13.278 -20.522 -19.305 1.00 42.00 C ATOM 1432 C ASP A 94 12.974 -19.047 -19.543 1.00 61.22 C ATOM 1433 O ASP A 94 11.863 -18.582 -19.291 1.00 24.31 O ATOM 1434 CB ASP A 94 12.052 -21.370 -19.646 1.00 44.20 C ATOM 1435 CG ASP A 94 12.299 -22.300 -20.818 1.00 62.13 C ATOM 1436 OD1 ASP A 94 13.078 -23.264 -20.656 1.00 22.23 O ATOM 1437 OD2 ASP A 94 11.713 -22.067 -21.895 1.00 42.01 O1- ATOM 0 H ASP A 94 13.029 -20.394 -17.227 1.00 50.01 H new ATOM 0 HA ASP A 94 14.104 -20.813 -19.954 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.766 -21.958 -18.774 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.213 -20.714 -19.877 1.00 44.20 H new ATOM 1442 N ALA A 95 13.971 -18.314 -20.031 1.00 52.22 N ATOM 1443 CA ALA A 95 13.810 -16.891 -20.304 1.00 61.03 C ATOM 1444 C ALA A 95 12.692 -16.650 -21.313 1.00 63.24 C ATOM 1445 O ALA A 95 12.068 -15.588 -21.320 1.00 24.01 O ATOM 1446 CB ALA A 95 15.117 -16.300 -20.810 1.00 22.22 C ATOM 0 H ALA A 95 14.898 -18.682 -20.245 1.00 52.22 H new ATOM 0 HA ALA A 95 13.537 -16.395 -19.373 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.982 -15.237 -21.010 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.892 -16.432 -20.055 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.414 -16.807 -21.728 1.00 22.22 H new ATOM 1452 N ASP A 96 12.445 -17.639 -22.164 1.00 31.21 N ATOM 1453 CA ASP A 96 11.402 -17.534 -23.178 1.00 63.04 C ATOM 1454 C ASP A 96 10.032 -17.359 -22.531 1.00 71.11 C ATOM 1455 O ASP A 96 9.302 -16.416 -22.841 1.00 42.54 O ATOM 1456 CB ASP A 96 11.404 -18.773 -24.073 1.00 13.52 C ATOM 1457 CG ASP A 96 10.668 -18.546 -25.378 1.00 14.13 C ATOM 1458 OD1 ASP A 96 10.220 -19.540 -25.990 1.00 42.02 O ATOM 1459 OD2 ASP A 96 10.539 -17.374 -25.790 1.00 51.14 O1- ATOM 0 H ASP A 96 12.953 -18.523 -22.172 1.00 31.21 H new ATOM 0 HA ASP A 96 11.610 -16.656 -23.789 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.433 -19.062 -24.285 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.943 -19.604 -23.539 1.00 13.52 H new ATOM 1464 N LEU A 97 9.687 -18.275 -21.633 1.00 21.24 N ATOM 1465 CA LEU A 97 8.402 -18.224 -20.942 1.00 53.03 C ATOM 1466 C LEU A 97 8.209 -16.878 -20.251 1.00 34.03 C ATOM 1467 O LEU A 97 7.185 -16.220 -20.428 1.00 22.40 O ATOM 1468 CB LEU A 97 8.307 -19.356 -19.917 1.00 23.04 C ATOM 1469 CG LEU A 97 7.134 -20.320 -20.089 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.504 -21.445 -21.043 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.702 -20.880 -18.741 1.00 13.34 C ATOM 0 H LEU A 97 10.278 -19.062 -21.366 1.00 21.24 H new ATOM 0 HA LEU A 97 7.613 -18.347 -21.684 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.232 -19.931 -19.954 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.245 -18.914 -18.922 1.00 23.04 H new ATOM 0 HG LEU A 97 6.295 -19.770 -20.517 1.00 32.22 H new ATOM 0 HD11 LEU A 97 6.657 -22.122 -21.153 1.00 33.50 H new ATOM 0 HD12 LEU A 97 7.764 -21.027 -22.016 1.00 33.50 H new ATOM 0 HD13 LEU A 97 8.357 -21.994 -20.645 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.866 -21.565 -18.883 1.00 13.34 H new ATOM 0 HD22 LEU A 97 7.535 -21.415 -18.285 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.395 -20.062 -18.089 1.00 13.34 H new ATOM 1483 N ALA A 98 9.202 -16.474 -19.465 1.00 51.02 N ATOM 1484 CA ALA A 98 9.143 -15.205 -18.751 1.00 72.21 C ATOM 1485 C ALA A 98 9.046 -14.033 -19.722 1.00 74.34 C ATOM 1486 O ALA A 98 8.215 -13.141 -19.551 1.00 70.15 O ATOM 1487 CB ALA A 98 10.359 -15.049 -17.851 1.00 43.44 C ATOM 0 H ALA A 98 10.057 -17.008 -19.307 1.00 51.02 H new ATOM 0 HA ALA A 98 8.245 -15.205 -18.133 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.302 -14.097 -17.324 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.383 -15.864 -17.127 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.265 -15.075 -18.456 1.00 43.44 H new ATOM 1493 N ALA A 99 9.900 -14.041 -20.740 1.00 41.25 N ATOM 1494 CA ALA A 99 9.909 -12.980 -21.738 1.00 41.24 C ATOM 1495 C ALA A 99 8.532 -12.806 -22.368 1.00 64.45 C ATOM 1496 O ALA A 99 8.154 -11.705 -22.770 1.00 63.22 O ATOM 1497 CB ALA A 99 10.949 -13.272 -22.809 1.00 14.33 C ATOM 0 H ALA A 99 10.595 -14.771 -20.895 1.00 41.25 H new ATOM 0 HA ALA A 99 10.170 -12.047 -21.238 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.945 -12.471 -23.548 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.936 -13.337 -22.350 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.713 -14.218 -23.297 1.00 14.33 H new ATOM 1503 N LYS A 100 7.784 -13.902 -22.454 1.00 1.23 N ATOM 1504 CA LYS A 100 6.447 -13.872 -23.035 1.00 72.44 C ATOM 1505 C LYS A 100 5.476 -13.121 -22.128 1.00 13.34 C ATOM 1506 O LYS A 100 4.553 -12.459 -22.604 1.00 61.21 O ATOM 1507 CB LYS A 100 5.940 -15.296 -23.273 1.00 31.43 C ATOM 1508 CG LYS A 100 4.671 -15.359 -24.106 1.00 4.53 C ATOM 1509 CD LYS A 100 4.816 -16.323 -25.272 1.00 22.41 C ATOM 1510 CE LYS A 100 4.504 -17.752 -24.856 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.046 -17.960 -24.638 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.082 -14.822 -22.129 1.00 1.23 H new ATOM 0 HA LYS A 100 6.505 -13.349 -23.989 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.720 -15.872 -23.771 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.757 -15.773 -22.310 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.837 -15.670 -23.477 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.432 -14.364 -24.483 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.147 -16.023 -26.078 1.00 22.41 H new ATOM 0 HD3 LYS A 100 5.832 -16.271 -25.665 1.00 22.41 H new ATOM 0 HE2 LYS A 100 4.858 -18.439 -25.624 1.00 35.11 H new ATOM 0 HE3 LYS A 100 5.046 -17.990 -23.941 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 2.839 -18.979 -24.624 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 2.767 -17.538 -23.729 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 2.512 -17.509 -25.408 1.00 40.13 H new ATOM 1525 N LEU A 101 5.691 -13.227 -20.822 1.00 12.30 N ATOM 1526 CA LEU A 101 4.836 -12.556 -19.849 1.00 3.23 C ATOM 1527 C LEU A 101 4.912 -11.042 -20.010 1.00 62.45 C ATOM 1528 O LEU A 101 3.895 -10.376 -20.203 1.00 14.21 O ATOM 1529 CB LEU A 101 5.241 -12.951 -18.428 1.00 62.20 C ATOM 1530 CG LEU A 101 4.283 -13.891 -17.693 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.778 -14.159 -16.280 1.00 50.44 C ATOM 1532 CD2 LEU A 101 2.879 -13.308 -17.668 1.00 34.24 C ATOM 0 H LEU A 101 6.450 -13.771 -20.412 1.00 12.30 H new ATOM 0 HA LEU A 101 3.808 -12.870 -20.028 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.222 -13.424 -18.470 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.351 -12.042 -17.837 1.00 62.20 H new ATOM 0 HG LEU A 101 4.251 -14.839 -18.230 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.084 -14.829 -15.772 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.764 -14.621 -16.322 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.841 -13.219 -15.732 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.211 -13.990 -17.141 1.00 34.24 H new ATOM 0 HD22 LEU A 101 2.893 -12.346 -17.155 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.524 -13.169 -18.689 1.00 34.24 H new ATOM 1544 N ALA A 102 6.125 -10.504 -19.930 1.00 31.42 N ATOM 1545 CA ALA A 102 6.333 -9.068 -20.071 1.00 1.32 C ATOM 1546 C ALA A 102 5.646 -8.533 -21.322 1.00 62.44 C ATOM 1547 O ALA A 102 5.221 -7.379 -21.362 1.00 20.35 O ATOM 1548 CB ALA A 102 7.822 -8.753 -20.108 1.00 64.24 C ATOM 0 H ALA A 102 6.977 -11.040 -19.768 1.00 31.42 H new ATOM 0 HA ALA A 102 5.889 -8.575 -19.207 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.964 -7.677 -20.214 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.289 -9.091 -19.183 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.281 -9.264 -20.954 1.00 64.24 H new ATOM 1554 N GLU A 103 5.541 -9.379 -22.342 1.00 45.13 N ATOM 1555 CA GLU A 103 4.906 -8.990 -23.595 1.00 0.13 C ATOM 1556 C GLU A 103 3.488 -8.479 -23.350 1.00 54.13 C ATOM 1557 O GLU A 103 3.079 -7.461 -23.909 1.00 43.44 O ATOM 1558 CB GLU A 103 4.873 -10.172 -24.565 1.00 65.34 C ATOM 1559 CG GLU A 103 5.065 -9.772 -26.019 1.00 71.40 C ATOM 1560 CD GLU A 103 6.510 -9.879 -26.467 1.00 43.23 C ATOM 1561 OE1 GLU A 103 6.742 -10.255 -27.635 1.00 35.33 O ATOM 1562 OE2 GLU A 103 7.408 -9.585 -25.651 1.00 44.42 O1- ATOM 0 H GLU A 103 5.888 -10.338 -22.325 1.00 45.13 H new ATOM 0 HA GLU A 103 5.494 -8.185 -24.036 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.652 -10.882 -24.286 1.00 65.34 H new ATOM 0 HB3 GLU A 103 3.919 -10.689 -24.462 1.00 65.34 H new ATOM 0 HG2 GLU A 103 4.444 -10.407 -26.652 1.00 71.40 H new ATOM 0 HG3 GLU A 103 4.720 -8.748 -26.159 1.00 71.40 H new ATOM 1569 N VAL A 104 2.744 -9.194 -22.513 1.00 33.41 N ATOM 1570 CA VAL A 104 1.374 -8.814 -22.193 1.00 23.33 C ATOM 1571 C VAL A 104 1.337 -7.536 -21.363 1.00 20.50 C ATOM 1572 O VAL A 104 0.312 -6.855 -21.298 1.00 4.15 O ATOM 1573 CB VAL A 104 0.645 -9.933 -21.427 1.00 33.51 C ATOM 1574 CG1 VAL A 104 1.004 -9.889 -19.949 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -0.859 -9.821 -21.622 1.00 43.11 C ATOM 0 H VAL A 104 3.067 -10.040 -22.044 1.00 33.41 H new ATOM 0 HA VAL A 104 0.864 -8.642 -23.141 1.00 23.33 H new ATOM 0 HB VAL A 104 0.969 -10.894 -21.827 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.480 -10.687 -19.423 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.079 -10.023 -19.832 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.711 -8.926 -19.532 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.358 -10.620 -21.073 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.203 -8.856 -21.250 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.096 -9.907 -22.683 1.00 43.11 H new ATOM 1585 N ILE A 105 2.460 -7.216 -20.729 1.00 64.50 N ATOM 1586 CA ILE A 105 2.556 -6.019 -19.904 1.00 64.45 C ATOM 1587 C ILE A 105 2.694 -4.767 -20.764 1.00 25.40 C ATOM 1588 O ILE A 105 2.089 -3.734 -20.477 1.00 74.01 O ATOM 1589 CB ILE A 105 3.752 -6.098 -18.936 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.663 -7.362 -18.081 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.803 -4.858 -18.055 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.810 -7.515 -17.106 1.00 20.20 C ATOM 0 H ILE A 105 3.316 -7.769 -20.771 1.00 64.50 H new ATOM 0 HA ILE A 105 1.634 -5.959 -19.326 1.00 64.45 H new ATOM 0 HB ILE A 105 4.671 -6.143 -19.521 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.725 -7.350 -17.526 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.635 -8.233 -18.736 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.653 -4.928 -17.377 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.910 -3.972 -18.680 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.882 -4.785 -17.476 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.681 -8.433 -16.533 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.751 -7.559 -17.655 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.826 -6.663 -16.426 1.00 20.20 H new ATOM 1604 N HIS A 106 3.492 -4.868 -21.822 1.00 4.44 N ATOM 1605 CA HIS A 106 3.708 -3.744 -22.727 1.00 52.41 C ATOM 1606 C HIS A 106 2.532 -3.586 -23.686 1.00 72.24 C ATOM 1607 O HIS A 106 2.691 -3.694 -24.902 1.00 4.11 O ATOM 1608 CB HIS A 106 5.002 -3.939 -23.516 1.00 33.32 C ATOM 1609 CG HIS A 106 5.562 -2.665 -24.072 1.00 62.22 C ATOM 1610 ND1 HIS A 106 5.737 -1.527 -23.313 1.00 53.42 N ATOM 1611 CD2 HIS A 106 5.990 -2.356 -25.318 1.00 33.43 C ATOM 1612 CE1 HIS A 106 6.245 -0.570 -24.070 1.00 21.21 C ATOM 1613 NE2 HIS A 106 6.409 -1.049 -25.291 1.00 23.34 N ATOM 0 H HIS A 106 4.000 -5.716 -22.074 1.00 4.44 H new ATOM 0 HA HIS A 106 3.790 -2.837 -22.128 1.00 52.41 H new ATOM 0 HB2 HIS A 106 5.747 -4.402 -22.868 1.00 33.32 H new ATOM 0 HB3 HIS A 106 4.817 -4.633 -24.336 1.00 33.32 H new ATOM 0 HD2 HIS A 106 6.000 -3.015 -26.174 1.00 33.43 H new ATOM 0 HE1 HIS A 106 6.485 0.432 -23.746 1.00 21.21 H new ATOM 0 HE2 HIS A 106 6.786 -0.531 -26.085 1.00 23.34 H new ATOM 1621 N HIS A 107 1.351 -3.332 -23.130 1.00 10.53 N ATOM 1622 CA HIS A 107 0.148 -3.160 -23.937 1.00 31.12 C ATOM 1623 C HIS A 107 -0.900 -2.347 -23.183 1.00 63.22 C ATOM 1624 O HIS A 107 -1.445 -1.376 -23.709 1.00 44.22 O ATOM 1625 CB HIS A 107 -0.429 -4.520 -24.327 1.00 2.41 C ATOM 1626 CG HIS A 107 -1.332 -4.468 -25.521 1.00 35.31 C ATOM 1627 ND1 HIS A 107 -2.284 -5.429 -25.788 1.00 74.24 N ATOM 1628 CD2 HIS A 107 -1.425 -3.560 -26.522 1.00 40.51 C ATOM 1629 CE1 HIS A 107 -2.922 -5.116 -26.901 1.00 60.13 C ATOM 1630 NE2 HIS A 107 -2.421 -3.986 -27.366 1.00 32.02 N ATOM 0 H HIS A 107 1.202 -3.241 -22.125 1.00 10.53 H new ATOM 0 HA HIS A 107 0.422 -2.617 -24.842 1.00 31.12 H new ATOM 0 HB2 HIS A 107 0.391 -5.208 -24.532 1.00 2.41 H new ATOM 0 HB3 HIS A 107 -0.983 -4.927 -23.481 1.00 2.41 H new ATOM 0 HD2 HIS A 107 -0.827 -2.668 -26.635 1.00 40.51 H new ATOM 0 HE1 HIS A 107 -3.719 -5.687 -27.354 1.00 60.13 H new ATOM 0 HE2 HIS A 107 -2.724 -3.507 -28.214 1.00 32.02 H new ATOM 1638 N HIS A 108 -1.178 -2.751 -21.946 1.00 45.32 N ATOM 1639 CA HIS A 108 -2.161 -2.060 -21.120 1.00 4.03 C ATOM 1640 C HIS A 108 -1.796 -2.163 -19.642 1.00 72.22 C ATOM 1641 O HIS A 108 -1.200 -3.149 -19.207 1.00 3.23 O ATOM 1642 CB HIS A 108 -3.555 -2.641 -21.355 1.00 41.24 C ATOM 1643 CG HIS A 108 -4.460 -1.733 -22.129 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -5.265 -0.785 -21.531 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -4.684 -1.629 -23.460 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -5.945 -0.139 -22.461 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -5.612 -0.632 -23.640 1.00 53.45 N ATOM 0 H HIS A 108 -0.736 -3.552 -21.495 1.00 45.32 H new ATOM 0 HA HIS A 108 -2.162 -1.008 -21.404 1.00 4.03 H new ATOM 0 HB2 HIS A 108 -3.460 -3.587 -21.888 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -4.014 -2.863 -20.392 1.00 41.24 H new ATOM 0 HD2 HIS A 108 -4.220 -2.220 -24.236 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -6.653 0.657 -22.287 1.00 12.10 H new ATOM 0 HE2 HIS A 108 -5.983 -0.323 -24.538 1.00 53.45 H new ATOM 1655 N HIS A 109 -2.158 -1.140 -18.875 1.00 52.35 N ATOM 1656 CA HIS A 109 -1.869 -1.116 -17.446 1.00 11.14 C ATOM 1657 C HIS A 109 -2.745 -0.091 -16.731 1.00 61.53 C ATOM 1658 O HIS A 109 -2.499 1.113 -16.809 1.00 23.40 O ATOM 1659 CB HIS A 109 -0.393 -0.798 -17.208 1.00 3.42 C ATOM 1660 CG HIS A 109 -0.013 -0.765 -15.759 1.00 63.42 C ATOM 1661 ND1 HIS A 109 1.071 -0.060 -15.280 1.00 45.04 N ATOM 1662 CD2 HIS A 109 -0.580 -1.356 -14.682 1.00 32.11 C ATOM 1663 CE1 HIS A 109 1.154 -0.219 -13.972 1.00 34.32 C ATOM 1664 NE2 HIS A 109 0.163 -1.002 -13.583 1.00 11.45 N ATOM 0 H HIS A 109 -2.652 -0.317 -19.219 1.00 52.35 H new ATOM 0 HA HIS A 109 -2.090 -2.103 -17.039 1.00 11.14 H new ATOM 0 HB2 HIS A 109 0.217 -1.543 -17.718 1.00 3.42 H new ATOM 0 HB3 HIS A 109 -0.161 0.167 -17.658 1.00 3.42 H new ATOM 0 HD2 HIS A 109 -1.455 -1.989 -14.686 1.00 32.11 H new ATOM 0 HE1 HIS A 109 1.904 0.217 -13.329 1.00 34.32 H new ATOM 0 HE2 HIS A 109 -0.020 -1.295 -12.623 1.00 11.45 H new ATOM 1672 N HIS A 110 -3.768 -0.576 -16.036 1.00 63.25 N ATOM 1673 CA HIS A 110 -4.681 0.299 -15.308 1.00 60.44 C ATOM 1674 C HIS A 110 -4.411 0.238 -13.807 1.00 41.24 C ATOM 1675 O HIS A 110 -4.778 -0.728 -13.139 1.00 3.33 O ATOM 1676 CB HIS A 110 -6.132 -0.092 -15.592 1.00 25.35 C ATOM 1677 CG HIS A 110 -6.640 0.408 -16.909 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -7.886 0.088 -17.406 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -6.063 1.212 -17.833 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -8.053 0.672 -18.579 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -6.961 1.361 -18.861 1.00 44.22 N ATOM 0 H HIS A 110 -3.986 -1.570 -15.961 1.00 63.25 H new ATOM 0 HA HIS A 110 -4.514 1.321 -15.649 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -6.218 -1.178 -15.567 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -6.767 0.297 -14.796 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -5.079 1.654 -17.773 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -8.932 0.599 -19.202 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -6.810 1.914 -19.705 1.00 44.22 H new ATOM 1689 N HIS A 111 -3.765 1.276 -13.285 1.00 71.21 N ATOM 1690 CA HIS A 111 -3.445 1.340 -11.864 1.00 52.02 C ATOM 1691 C HIS A 111 -2.921 -0.002 -11.363 1.00 34.54 C ATOM 1692 O HIS A 111 -2.362 -0.762 -12.152 1.00 65.33 O ATOM 1693 CB HIS A 111 -4.679 1.752 -11.060 1.00 34.45 C ATOM 1694 CG HIS A 111 -5.621 0.620 -10.787 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -6.761 0.394 -11.529 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -5.586 -0.353 -9.847 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -7.387 -0.669 -11.056 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -6.695 -1.141 -10.036 1.00 25.24 N ATOM 0 H HIS A 111 -3.453 2.083 -13.825 1.00 71.21 H new ATOM 0 HA HIS A 111 -2.664 2.088 -11.726 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -4.358 2.183 -10.112 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -5.211 2.534 -11.602 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -4.828 -0.485 -9.090 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -8.309 -1.082 -11.439 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -6.943 -1.958 -9.479 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -1.355 -16.856 -19.301 1.00 11.25 C HETATM 1708 O1 PLM A 201 -0.516 -16.617 -18.253 1.00 30.44 O HETATM 1709 O2 PLM A 201 -2.341 -17.580 -19.220 1.00 43.03 O HETATM 1710 C2 PLM A 201 -0.930 -16.124 -20.601 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.163 -14.580 -20.448 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.199 -13.868 -19.471 1.00 40.30 C HETATM 1713 C5 PLM A 201 -0.918 -12.826 -18.596 1.00 45.00 C HETATM 1714 C6 PLM A 201 -0.857 -13.182 -17.099 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.432 -11.982 -16.231 1.00 23.23 C HETATM 1716 C8 PLM A 201 0.405 -12.414 -15.012 1.00 50.35 C HETATM 1717 C9 PLM A 201 1.321 -11.283 -14.501 1.00 13.45 C HETATM 1718 CA PLM A 201 2.823 -11.507 -14.777 1.00 44.10 C HETATM 1719 CB PLM A 201 3.647 -11.104 -13.540 1.00 71.52 C HETATM 1720 CC PLM A 201 3.643 -12.426 -12.534 1.00 61.21 C HETATM 1721 CD PLM A 201 4.442 -12.139 -11.248 1.00 62.02 C HETATM 1722 CE PLM A 201 5.849 -11.587 -11.547 1.00 10.40 C HETATM 1723 CF PLM A 201 6.605 -12.447 -12.576 1.00 25.23 C HETATM 1724 CG PLM A 201 6.970 -13.824 -12.010 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.607 -13.700 -11.134 1.00 45.31 H new HETATM 0 HG2 PLM A 201 6.061 -14.353 -11.725 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.502 -14.399 -12.768 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.990 -12.572 -13.467 1.00 25.23 H new HETATM 0 HF1 PLM A 201 7.513 -11.929 -12.885 1.00 25.23 H new HETATM 0 HE2 PLM A 201 5.765 -10.566 -11.921 1.00 10.40 H new HETATM 0 HE1 PLM A 201 6.424 -11.542 -10.622 1.00 10.40 H new HETATM 0 HD2 PLM A 201 3.895 -11.422 -10.635 1.00 62.02 H new HETATM 0 HD1 PLM A 201 4.530 -13.056 -10.665 1.00 62.02 H new HETATM 0 HC2 PLM A 201 2.617 -12.691 -12.278 1.00 61.21 H new HETATM 0 HC1 PLM A 201 4.074 -13.283 -13.051 1.00 61.21 H new HETATM 0 HB2 PLM A 201 4.664 -10.831 -13.821 1.00 71.52 H new HETATM 0 HB1 PLM A 201 3.209 -10.237 -13.046 1.00 71.52 H new HETATM 0 HA2 PLM A 201 3.005 -12.554 -15.021 1.00 44.10 H new HETATM 0 HA1 PLM A 201 3.135 -10.919 -15.640 1.00 44.10 H new HETATM 0 H92 PLM A 201 1.014 -10.346 -14.965 1.00 13.45 H new HETATM 0 H91 PLM A 201 1.174 -11.170 -13.427 1.00 13.45 H new HETATM 0 H82 PLM A 201 -0.262 -12.729 -14.209 1.00 50.35 H new HETATM 0 H81 PLM A 201 1.013 -13.278 -15.279 1.00 50.35 H new HETATM 0 H72 PLM A 201 0.145 -11.284 -16.837 1.00 23.23 H new HETATM 0 H71 PLM A 201 -1.320 -11.450 -15.890 1.00 23.23 H new HETATM 0 H62 PLM A 201 -1.834 -13.537 -16.772 1.00 34.21 H new HETATM 0 H61 PLM A 201 -0.154 -14.002 -16.951 1.00 34.21 H new HETATM 0 H52 PLM A 201 -0.465 -11.847 -18.754 1.00 45.00 H new HETATM 0 H51 PLM A 201 -1.960 -12.749 -18.907 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.279 -14.609 -18.831 1.00 40.30 H new HETATM 0 H41 PLM A 201 0.593 -13.379 -20.038 1.00 40.30 H new HETATM 0 H32 PLM A 201 -1.071 -14.115 -21.429 1.00 43.24 H new HETATM 0 H31 PLM A 201 -2.186 -14.414 -20.111 1.00 43.24 H new HETATM 0 H22 PLM A 201 0.121 -16.322 -20.813 1.00 21.42 H new HETATM 0 H21 PLM A 201 -1.503 -16.505 -21.446 1.00 21.42 H new HETATM 0 H PLM A 201 0.411 -16.767 -18.535 1.00 30.44 H new HETATM 1757 C1 PLM A 202 2.898 -5.813 -13.849 1.00 15.44 C HETATM 1758 O1 PLM A 202 2.388 -4.672 -14.393 1.00 73.20 O HETATM 1759 O2 PLM A 202 3.968 -6.304 -14.195 1.00 74.42 O HETATM 1760 C2 PLM A 202 1.984 -6.430 -12.757 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.993 -5.522 -11.477 1.00 32.23 C HETATM 1762 C4 PLM A 202 3.188 -5.753 -10.523 1.00 44.01 C HETATM 1763 C5 PLM A 202 4.432 -4.947 -10.941 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.472 -5.819 -11.669 1.00 64.43 C HETATM 1765 C7 PLM A 202 6.863 -5.740 -11.012 1.00 32.51 C HETATM 1766 C8 PLM A 202 7.858 -6.741 -11.631 1.00 51.45 C HETATM 1767 C9 PLM A 202 7.329 -7.358 -12.941 1.00 51.43 C HETATM 1768 CA PLM A 202 8.365 -8.202 -13.711 1.00 44.42 C HETATM 1769 CB PLM A 202 7.652 -9.326 -14.486 1.00 34.24 C HETATM 1770 CC PLM A 202 8.854 -10.231 -15.195 1.00 0.42 C HETATM 1771 CD PLM A 202 9.116 -9.760 -16.638 1.00 12.51 C HETATM 1772 CE PLM A 202 9.253 -10.940 -17.620 1.00 22.43 C HETATM 1773 CF PLM A 202 10.440 -10.760 -18.583 1.00 30.40 C HETATM 1774 CG PLM A 202 11.710 -11.440 -18.056 1.00 53.12 C HETATM 0 HG3 PLM A 202 11.982 -11.007 -17.094 1.00 53.12 H new HETATM 0 HG2 PLM A 202 11.527 -12.508 -17.935 1.00 53.12 H new HETATM 0 HG1 PLM A 202 12.524 -11.289 -18.765 1.00 53.12 H new HETATM 0 HF2 PLM A 202 10.183 -11.175 -19.558 1.00 30.40 H new HETATM 0 HF1 PLM A 202 10.631 -9.697 -18.730 1.00 30.40 H new HETATM 0 HE2 PLM A 202 9.380 -11.865 -17.058 1.00 22.43 H new HETATM 0 HE1 PLM A 202 8.333 -11.041 -18.195 1.00 22.43 H new HETATM 0 HD2 PLM A 202 8.300 -9.114 -16.961 1.00 12.51 H new HETATM 0 HD1 PLM A 202 10.026 -9.161 -16.663 1.00 12.51 H new HETATM 0 HC2 PLM A 202 9.770 -10.150 -14.609 1.00 0.42 H new HETATM 0 HC1 PLM A 202 8.570 -11.283 -15.197 1.00 0.42 H new HETATM 0 HB2 PLM A 202 7.047 -9.938 -13.817 1.00 34.24 H new HETATM 0 HB1 PLM A 202 6.979 -8.915 -15.238 1.00 34.24 H new HETATM 0 HA2 PLM A 202 8.922 -7.569 -14.401 1.00 44.42 H new HETATM 0 HA1 PLM A 202 9.088 -8.629 -13.016 1.00 44.42 H new HETATM 0 H92 PLM A 202 6.467 -7.984 -12.711 1.00 51.43 H new HETATM 0 H91 PLM A 202 6.977 -6.556 -13.590 1.00 51.43 H new HETATM 0 H82 PLM A 202 8.804 -6.236 -11.826 1.00 51.45 H new HETATM 0 H81 PLM A 202 8.063 -7.536 -10.914 1.00 51.45 H new HETATM 0 H72 PLM A 202 7.255 -4.729 -11.117 1.00 32.51 H new HETATM 0 H71 PLM A 202 6.770 -5.936 -9.944 1.00 32.51 H new HETATM 0 H62 PLM A 202 5.134 -6.855 -11.675 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.545 -5.501 -12.709 1.00 64.43 H new HETATM 0 H52 PLM A 202 4.129 -4.126 -11.591 1.00 2.30 H new HETATM 0 H51 PLM A 202 4.888 -4.502 -10.057 1.00 2.30 H new HETATM 0 H42 PLM A 202 2.900 -5.474 -9.509 1.00 44.01 H new HETATM 0 H41 PLM A 202 3.435 -6.814 -10.503 1.00 44.01 H new HETATM 0 H32 PLM A 202 1.993 -4.478 -11.790 1.00 32.23 H new HETATM 0 H31 PLM A 202 1.068 -5.689 -10.925 1.00 32.23 H new HETATM 0 H22 PLM A 202 0.967 -6.530 -13.136 1.00 5.04 H new HETATM 0 H21 PLM A 202 2.330 -7.432 -12.505 1.00 5.04 H new HETATM 0 H PLM A 202 1.528 -4.464 -13.971 1.00 73.20 H new