USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=16 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= -2.89 K(o=-7,f=-9.7!) USER MOD Set 1.2: A 32 ASN : amide:sc= -1.07 K(o=-7,f=-9.6) USER MOD Set 1.3: A 41 GLN : amide:sc= -2.99 K(o=-7,f=-15!) USER MOD Set 2.1: A 1 MET N :NH3+ -148:sc= -1.5! (180deg=-3.03!) USER MOD Set 2.2: A 5 THR OG1 : rot -140:sc= -0.75 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.377 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 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.731 F(o=-1.4!,f=-0.73) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 70 MET CE :methyl 145:sc= -8.08! (180deg=-12!) USER MOD Single : A 74 SER OG : rot 100:sc= -0.241 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -45:sc= 0.844 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 62:sc= 1.04 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0929 X(o=-0.093,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,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= -0.0725 X(o=-0.073,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0092 X(o=-0.0092,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 201 PLM O1 : rot 15:sc= -1.21 USER MOD Single : A 202 PLM O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.673 -0.609 -1.565 1.00 30.34 N ATOM 2 CA MET A 1 1.971 -0.929 -0.174 1.00 43.23 C ATOM 3 C MET A 1 2.747 -2.239 -0.072 1.00 31.55 C ATOM 4 O MET A 1 2.201 -3.264 0.338 1.00 14.10 O ATOM 5 CB MET A 1 0.679 -1.024 0.639 1.00 53.32 C ATOM 6 CG MET A 1 0.870 -0.746 2.121 1.00 61.53 C ATOM 7 SD MET A 1 -0.533 0.117 2.852 1.00 43.22 S ATOM 8 CE MET A 1 0.016 1.818 2.738 1.00 4.20 C ATOM 0 H1 MET A 1 1.662 0.424 -1.689 1.00 30.34 H new ATOM 0 H2 MET A 1 2.402 -1.024 -2.180 1.00 30.34 H new ATOM 0 H3 MET A 1 0.743 -0.998 -1.819 1.00 30.34 H new ATOM 0 HA MET A 1 2.589 -0.128 0.232 1.00 43.23 H new ATOM 0 HB2 MET A 1 -0.047 -0.317 0.236 1.00 53.32 H new ATOM 0 HB3 MET A 1 0.255 -2.021 0.517 1.00 53.32 H new ATOM 0 HG2 MET A 1 1.026 -1.688 2.646 1.00 61.53 H new ATOM 0 HG3 MET A 1 1.772 -0.150 2.262 1.00 61.53 H new ATOM 0 HE1 MET A 1 -0.748 2.476 3.152 1.00 4.20 H new ATOM 0 HE2 MET A 1 0.942 1.940 3.299 1.00 4.20 H new ATOM 0 HE3 MET A 1 0.189 2.075 1.693 1.00 4.20 H new ATOM 18 N SER A 2 4.021 -2.198 -0.447 1.00 23.13 N ATOM 19 CA SER A 2 4.870 -3.383 -0.401 1.00 70.22 C ATOM 20 C SER A 2 4.382 -4.440 -1.387 1.00 60.42 C ATOM 21 O SER A 2 3.382 -4.245 -2.078 1.00 33.03 O ATOM 22 CB SER A 2 4.896 -3.963 1.015 1.00 14.01 C ATOM 23 OG SER A 2 5.096 -2.944 1.979 1.00 44.23 O ATOM 0 H SER A 2 4.488 -1.357 -0.786 1.00 23.13 H new ATOM 0 HA SER A 2 5.880 -3.087 -0.683 1.00 70.22 H new ATOM 0 HB2 SER A 2 3.958 -4.480 1.217 1.00 14.01 H new ATOM 0 HB3 SER A 2 5.692 -4.704 1.094 1.00 14.01 H new ATOM 0 HG SER A 2 5.107 -3.339 2.876 1.00 44.23 H new ATOM 29 N VAL A 3 5.094 -5.560 -1.446 1.00 5.10 N ATOM 30 CA VAL A 3 4.734 -6.649 -2.346 1.00 74.43 C ATOM 31 C VAL A 3 3.252 -6.987 -2.233 1.00 53.33 C ATOM 32 O VAL A 3 2.628 -7.415 -3.204 1.00 14.34 O ATOM 33 CB VAL A 3 5.562 -7.915 -2.054 1.00 11.31 C ATOM 34 CG1 VAL A 3 5.042 -8.619 -0.810 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.544 -8.851 -3.254 1.00 71.40 C ATOM 0 H VAL A 3 5.924 -5.737 -0.881 1.00 5.10 H new ATOM 0 HA VAL A 3 4.950 -6.308 -3.359 1.00 74.43 H new ATOM 0 HB VAL A 3 6.594 -7.618 -1.869 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.639 -9.511 -0.620 1.00 62.02 H new ATOM 0 HG12 VAL A 3 5.112 -7.946 0.045 1.00 62.02 H new ATOM 0 HG13 VAL A 3 4.001 -8.905 -0.962 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.134 -9.740 -3.031 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.517 -9.142 -3.473 1.00 71.40 H new ATOM 0 HG23 VAL A 3 5.969 -8.342 -4.119 1.00 71.40 H new ATOM 45 N GLU A 4 2.694 -6.792 -1.042 1.00 43.03 N ATOM 46 CA GLU A 4 1.285 -7.077 -0.803 1.00 11.43 C ATOM 47 C GLU A 4 0.407 -6.396 -1.850 1.00 22.33 C ATOM 48 O GLU A 4 -0.515 -7.004 -2.396 1.00 35.51 O ATOM 49 CB GLU A 4 0.878 -6.617 0.598 1.00 73.40 C ATOM 50 CG GLU A 4 -0.623 -6.631 0.832 1.00 34.13 C ATOM 51 CD GLU A 4 -1.215 -8.023 0.728 1.00 73.21 C ATOM 52 OE1 GLU A 4 -1.723 -8.371 -0.359 1.00 60.22 O ATOM 53 OE2 GLU A 4 -1.173 -8.764 1.732 1.00 42.52 O1- ATOM 0 H GLU A 4 3.197 -6.438 -0.228 1.00 43.03 H new ATOM 0 HA GLU A 4 1.141 -8.155 -0.879 1.00 11.43 H new ATOM 0 HB2 GLU A 4 1.358 -7.260 1.336 1.00 73.40 H new ATOM 0 HB3 GLU A 4 1.253 -5.607 0.763 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -0.837 -6.222 1.819 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.107 -5.979 0.105 1.00 34.13 H new ATOM 60 N THR A 5 0.700 -5.128 -2.123 1.00 74.04 N ATOM 61 CA THR A 5 -0.062 -4.362 -3.102 1.00 61.14 C ATOM 62 C THR A 5 0.330 -4.743 -4.524 1.00 11.11 C ATOM 63 O THR A 5 -0.503 -4.734 -5.431 1.00 53.10 O ATOM 64 CB THR A 5 0.143 -2.848 -2.912 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.368 -2.439 -1.638 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.551 -2.066 -4.017 1.00 71.31 C ATOM 0 H THR A 5 1.459 -4.610 -1.680 1.00 74.04 H new ATOM 0 HA THR A 5 -1.113 -4.601 -2.942 1.00 61.14 H new ATOM 0 HB THR A 5 1.212 -2.640 -2.957 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.821 -1.575 -1.729 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.393 -0.999 -3.862 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.139 -2.358 -4.983 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.620 -2.281 -3.999 1.00 71.31 H new ATOM 74 N ILE A 6 1.602 -5.078 -4.713 1.00 14.44 N ATOM 75 CA ILE A 6 2.103 -5.464 -6.027 1.00 13.03 C ATOM 76 C ILE A 6 1.437 -6.746 -6.514 1.00 73.35 C ATOM 77 O ILE A 6 0.968 -6.819 -7.651 1.00 33.51 O ATOM 78 CB ILE A 6 3.630 -5.666 -6.009 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.304 -4.559 -5.197 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.176 -5.698 -7.429 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.830 -3.168 -5.562 1.00 64.21 C ATOM 0 H ILE A 6 2.304 -5.090 -3.973 1.00 14.44 H new ATOM 0 HA ILE A 6 1.860 -4.650 -6.710 1.00 13.03 H new ATOM 0 HB ILE A 6 3.850 -6.622 -5.534 1.00 41.41 H new ATOM 0 HG12 ILE A 6 4.117 -4.732 -4.137 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.383 -4.617 -5.344 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.256 -5.841 -7.400 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.715 -6.520 -7.978 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.948 -4.756 -7.928 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.350 -2.433 -4.947 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.042 -2.976 -6.614 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.757 -3.092 -5.388 1.00 64.21 H new ATOM 93 N ILE A 7 1.397 -7.751 -5.647 1.00 51.41 N ATOM 94 CA ILE A 7 0.785 -9.030 -5.990 1.00 0.02 C ATOM 95 C ILE A 7 -0.724 -8.889 -6.163 1.00 53.31 C ATOM 96 O ILE A 7 -1.344 -9.640 -6.913 1.00 54.10 O ATOM 97 CB ILE A 7 1.069 -10.095 -4.915 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.561 -10.431 -4.881 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.244 -11.347 -5.178 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.084 -10.994 -6.185 1.00 52.51 C ATOM 0 H ILE A 7 1.780 -7.706 -4.703 1.00 51.41 H new ATOM 0 HA ILE A 7 1.228 -9.349 -6.933 1.00 0.02 H new ATOM 0 HB ILE A 7 0.784 -9.694 -3.943 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.122 -9.530 -4.632 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.745 -11.151 -4.084 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.456 -12.090 -4.410 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.816 -11.095 -5.157 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.501 -11.753 -6.156 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.148 -11.209 -6.088 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.549 -11.913 -6.425 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.932 -10.266 -6.982 1.00 52.51 H new ATOM 112 N GLU A 8 -1.306 -7.918 -5.465 1.00 35.43 N ATOM 113 CA GLU A 8 -2.741 -7.678 -5.543 1.00 71.25 C ATOM 114 C GLU A 8 -3.163 -7.365 -6.975 1.00 71.52 C ATOM 115 O GLU A 8 -4.249 -7.746 -7.412 1.00 32.54 O ATOM 116 CB GLU A 8 -3.139 -6.524 -4.619 1.00 71.25 C ATOM 117 CG GLU A 8 -3.700 -6.982 -3.282 1.00 15.12 C ATOM 118 CD GLU A 8 -5.156 -6.600 -3.100 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.546 -5.510 -3.572 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.905 -7.387 -2.485 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.806 -7.286 -4.840 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.253 -8.585 -5.221 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.267 -5.894 -4.441 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.882 -5.905 -5.123 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.599 -8.064 -3.201 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.110 -6.546 -2.476 1.00 15.12 H new ATOM 127 N ARG A 9 -2.297 -6.666 -7.702 1.00 14.15 N ATOM 128 CA ARG A 9 -2.580 -6.299 -9.084 1.00 33.34 C ATOM 129 C ARG A 9 -2.517 -7.522 -9.994 1.00 22.34 C ATOM 130 O ARG A 9 -3.247 -7.610 -10.984 1.00 52.23 O ATOM 131 CB ARG A 9 -1.587 -5.240 -9.567 1.00 41.22 C ATOM 132 CG ARG A 9 -1.311 -4.152 -8.541 1.00 63.41 C ATOM 133 CD ARG A 9 -2.598 -3.507 -8.052 1.00 44.44 C ATOM 134 NE ARG A 9 -3.423 -3.026 -9.158 1.00 1.20 N ATOM 135 CZ ARG A 9 -4.630 -2.496 -8.996 1.00 43.43 C ATOM 136 NH1 ARG A 9 -5.151 -2.379 -7.782 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -5.320 -2.081 -10.052 1.00 51.24 N ATOM 0 H ARG A 9 -1.393 -6.343 -7.356 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.588 -5.887 -9.125 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.648 -5.727 -9.829 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.973 -4.780 -10.477 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -0.772 -4.577 -7.695 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -0.666 -3.391 -8.981 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -3.165 -4.229 -7.464 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -2.358 -2.675 -7.390 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.052 -3.101 -10.105 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -4.624 -2.697 -6.968 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -6.078 -1.971 -7.662 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -4.923 -2.169 -10.987 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -6.247 -1.674 -9.928 1.00 51.24 H new ATOM 151 N ILE A 10 -1.643 -8.462 -9.655 1.00 40.41 N ATOM 152 CA ILE A 10 -1.486 -9.680 -10.441 1.00 14.34 C ATOM 153 C ILE A 10 -2.736 -10.549 -10.363 1.00 62.03 C ATOM 154 O ILE A 10 -3.340 -10.882 -11.383 1.00 74.00 O ATOM 155 CB ILE A 10 -0.273 -10.502 -9.969 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.023 -9.727 -10.213 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.235 -11.846 -10.682 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.147 -10.119 -9.281 1.00 13.02 C ATOM 0 H ILE A 10 -1.032 -8.404 -8.841 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.325 -9.371 -11.474 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.370 -10.682 -8.898 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.344 -9.886 -11.243 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.825 -8.661 -10.102 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.628 -12.416 -10.338 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -1.147 -12.401 -10.462 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.159 -11.685 -11.757 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.034 -9.529 -9.512 1.00 13.02 H new ATOM 0 HD12 ILE A 10 1.846 -9.933 -8.250 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.372 -11.178 -9.408 1.00 13.02 H new ATOM 170 N LYS A 11 -3.123 -10.914 -9.145 1.00 61.13 N ATOM 171 CA LYS A 11 -4.304 -11.741 -8.932 1.00 50.23 C ATOM 172 C LYS A 11 -5.512 -11.165 -9.662 1.00 62.52 C ATOM 173 O LYS A 11 -6.349 -11.904 -10.179 1.00 43.22 O ATOM 174 CB LYS A 11 -4.606 -11.859 -7.436 1.00 4.34 C ATOM 175 CG LYS A 11 -4.584 -10.529 -6.705 1.00 75.22 C ATOM 176 CD LYS A 11 -5.155 -10.653 -5.302 1.00 21.30 C ATOM 177 CE LYS A 11 -5.681 -9.319 -4.794 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.156 -9.345 -4.592 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.635 -10.649 -8.290 1.00 61.13 H new ATOM 0 HA LYS A 11 -4.099 -12.733 -9.335 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.586 -12.319 -7.307 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.877 -12.528 -6.978 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.560 -10.160 -6.650 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -5.158 -9.794 -7.269 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.960 -11.388 -5.299 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.384 -11.023 -4.626 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -5.190 -9.069 -3.853 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -5.426 -8.533 -5.505 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -7.475 -8.418 -4.246 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.626 -9.558 -5.495 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.398 -10.077 -3.894 1.00 13.21 H new ATOM 192 N ALA A 12 -5.597 -9.838 -9.701 1.00 55.14 N ATOM 193 CA ALA A 12 -6.701 -9.163 -10.371 1.00 34.34 C ATOM 194 C ALA A 12 -6.558 -9.249 -11.886 1.00 55.24 C ATOM 195 O ALA A 12 -7.553 -9.273 -12.613 1.00 10.40 O ATOM 196 CB ALA A 12 -6.777 -7.709 -9.928 1.00 45.33 C ATOM 0 H ALA A 12 -4.914 -9.210 -9.276 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.626 -9.666 -10.090 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.606 -7.217 -10.436 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.934 -7.665 -8.850 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.845 -7.203 -10.180 1.00 45.33 H new ATOM 202 N ARG A 13 -5.317 -9.294 -12.358 1.00 1.42 N ATOM 203 CA ARG A 13 -5.045 -9.375 -13.788 1.00 42.34 C ATOM 204 C ARG A 13 -5.231 -10.802 -14.297 1.00 75.41 C ATOM 205 O ARG A 13 -5.964 -11.039 -15.255 1.00 71.34 O ATOM 206 CB ARG A 13 -3.623 -8.897 -14.086 1.00 55.21 C ATOM 207 CG ARG A 13 -3.257 -8.958 -15.560 1.00 12.20 C ATOM 208 CD ARG A 13 -3.974 -7.878 -16.358 1.00 25.52 C ATOM 209 NE ARG A 13 -3.223 -6.625 -16.379 1.00 14.11 N ATOM 210 CZ ARG A 13 -2.122 -6.441 -17.099 1.00 35.11 C ATOM 211 NH1 ARG A 13 -1.645 -7.423 -17.851 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -1.495 -5.271 -17.067 1.00 54.31 N ATOM 0 H ARG A 13 -4.483 -9.276 -11.771 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.754 -8.728 -14.305 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.512 -7.871 -13.735 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.918 -9.505 -13.520 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.179 -8.841 -15.674 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.515 -9.939 -15.960 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.130 -8.225 -17.380 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.960 -7.703 -15.927 1.00 25.52 H new ATOM 0 HE ARG A 13 -3.562 -5.850 -15.810 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -2.124 -8.323 -17.878 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -0.799 -7.278 -18.403 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -1.859 -4.513 -16.489 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -0.650 -5.130 -17.620 1.00 54.31 H new ATOM 226 N VAL A 14 -4.559 -11.748 -13.648 1.00 22.42 N ATOM 227 CA VAL A 14 -4.650 -13.151 -14.033 1.00 65.13 C ATOM 228 C VAL A 14 -6.103 -13.606 -14.116 1.00 11.41 C ATOM 229 O VAL A 14 -6.487 -14.330 -15.033 1.00 11.41 O ATOM 230 CB VAL A 14 -3.896 -14.056 -13.041 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.410 -14.083 -13.365 1.00 11.02 C ATOM 232 CG2 VAL A 14 -4.131 -13.590 -11.611 1.00 61.14 C ATOM 0 H VAL A 14 -3.946 -11.568 -12.853 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.188 -13.239 -15.016 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.282 -15.071 -13.136 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -1.894 -14.728 -12.653 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -2.265 -14.468 -14.374 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.005 -13.073 -13.300 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.591 -14.241 -10.923 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -3.774 -12.566 -11.499 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -5.197 -13.629 -11.386 1.00 61.14 H new ATOM 242 N GLY A 15 -6.909 -13.173 -13.150 1.00 21.44 N ATOM 243 CA GLY A 15 -8.311 -13.545 -13.133 1.00 52.30 C ATOM 244 C GLY A 15 -9.138 -12.733 -14.110 1.00 73.25 C ATOM 245 O GLY A 15 -10.345 -12.940 -14.233 1.00 42.21 O ATOM 0 H GLY A 15 -6.615 -12.572 -12.380 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.406 -14.604 -13.374 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.707 -13.410 -12.127 1.00 52.30 H new ATOM 249 N ALA A 16 -8.488 -11.806 -14.806 1.00 11.20 N ATOM 250 CA ALA A 16 -9.172 -10.961 -15.777 1.00 51.25 C ATOM 251 C ALA A 16 -8.755 -11.312 -17.201 1.00 3.23 C ATOM 252 O ALA A 16 -9.310 -10.791 -18.168 1.00 4.14 O ATOM 253 CB ALA A 16 -8.891 -9.493 -15.490 1.00 14.21 C ATOM 0 H ALA A 16 -7.489 -11.621 -14.715 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.243 -11.140 -15.685 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.408 -8.874 -16.223 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.245 -9.244 -14.490 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.818 -9.309 -15.552 1.00 14.21 H new ATOM 259 N VAL A 17 -7.772 -12.199 -17.323 1.00 61.40 N ATOM 260 CA VAL A 17 -7.279 -12.621 -18.628 1.00 25.41 C ATOM 261 C VAL A 17 -8.427 -13.045 -19.537 1.00 62.03 C ATOM 262 O VAL A 17 -9.269 -13.857 -19.153 1.00 65.32 O ATOM 263 CB VAL A 17 -6.280 -13.786 -18.503 1.00 5.11 C ATOM 264 CG1 VAL A 17 -6.074 -14.461 -19.850 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.957 -13.294 -17.936 1.00 53.34 C ATOM 0 H VAL A 17 -7.301 -12.639 -16.532 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.769 -11.763 -19.066 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.693 -14.523 -17.814 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.365 -15.282 -19.741 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -7.026 -14.850 -20.212 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.683 -13.736 -20.564 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.263 -14.130 -17.854 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.537 -12.537 -18.598 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.122 -12.862 -16.949 1.00 53.34 H new ATOM 275 N ASP A 18 -8.455 -12.492 -20.745 1.00 53.03 N ATOM 276 CA ASP A 18 -9.499 -12.814 -21.711 1.00 53.12 C ATOM 277 C ASP A 18 -8.968 -13.745 -22.795 1.00 33.02 C ATOM 278 O ASP A 18 -7.817 -13.646 -23.223 1.00 11.13 O ATOM 279 CB ASP A 18 -10.051 -11.535 -22.343 1.00 41.05 C ATOM 280 CG ASP A 18 -11.061 -10.837 -21.454 1.00 3.44 C ATOM 281 OD1 ASP A 18 -12.261 -10.846 -21.799 1.00 41.35 O ATOM 282 OD2 ASP A 18 -10.651 -10.284 -20.413 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.766 -11.818 -21.079 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.304 -13.325 -21.182 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -9.227 -10.854 -22.556 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.518 -11.778 -23.297 1.00 41.05 H new ATOM 287 N PRO A 19 -9.822 -14.673 -23.250 1.00 61.33 N ATOM 288 CA PRO A 19 -9.461 -15.641 -24.290 1.00 24.45 C ATOM 289 C PRO A 19 -9.290 -14.986 -25.657 1.00 52.45 C ATOM 290 O PRO A 19 -8.785 -15.604 -26.593 1.00 60.01 O ATOM 291 CB PRO A 19 -10.648 -16.606 -24.305 1.00 44.51 C ATOM 292 CG PRO A 19 -11.794 -15.807 -23.785 1.00 61.04 C ATOM 293 CD PRO A 19 -11.209 -14.848 -22.785 1.00 65.12 C ATOM 0 HA PRO A 19 -8.505 -16.123 -24.084 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.846 -16.974 -25.312 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.457 -17.478 -23.679 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.295 -15.272 -24.592 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.539 -16.451 -23.318 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.750 -13.902 -22.771 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.246 -15.251 -21.773 1.00 65.12 H new ATOM 301 N ASN A 20 -9.714 -13.731 -25.764 1.00 14.21 N ATOM 302 CA ASN A 20 -9.607 -12.993 -27.017 1.00 51.20 C ATOM 303 C ASN A 20 -8.162 -12.584 -27.287 1.00 32.21 C ATOM 304 O ASN A 20 -7.710 -12.582 -28.431 1.00 25.02 O ATOM 305 CB ASN A 20 -10.501 -11.751 -26.979 1.00 64.43 C ATOM 306 CG ASN A 20 -11.744 -11.907 -27.833 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.945 -11.168 -28.798 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.585 -12.873 -27.482 1.00 52.44 N ATOM 0 H ASN A 20 -10.135 -13.204 -24.999 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.937 -13.647 -27.824 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.794 -11.549 -25.949 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.933 -10.887 -27.324 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.438 -13.027 -28.020 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.378 -13.461 -26.675 1.00 52.44 H new ATOM 315 N GLY A 21 -7.442 -12.241 -26.223 1.00 50.52 N ATOM 316 CA GLY A 21 -6.055 -11.836 -26.367 1.00 62.51 C ATOM 317 C GLY A 21 -5.104 -13.016 -26.365 1.00 11.23 C ATOM 318 O GLY A 21 -4.800 -13.596 -27.407 1.00 25.24 O ATOM 0 H GLY A 21 -7.793 -12.236 -25.265 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.937 -11.279 -27.297 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.791 -11.159 -25.555 1.00 62.51 H new ATOM 322 N PRO A 22 -4.615 -13.386 -25.172 1.00 62.45 N ATOM 323 CA PRO A 22 -3.684 -14.507 -25.011 1.00 23.24 C ATOM 324 C PRO A 22 -4.350 -15.854 -25.266 1.00 51.52 C ATOM 325 O PRO A 22 -5.458 -15.919 -25.799 1.00 44.23 O ATOM 326 CB PRO A 22 -3.245 -14.396 -23.549 1.00 44.15 C ATOM 327 CG PRO A 22 -4.366 -13.686 -22.869 1.00 54.42 C ATOM 328 CD PRO A 22 -4.934 -12.739 -23.889 1.00 52.42 C ATOM 0 HA PRO A 22 -2.860 -14.458 -25.723 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -3.076 -15.380 -23.111 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.311 -13.841 -23.457 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -5.124 -14.391 -22.526 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -4.011 -13.147 -21.991 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -6.009 -12.609 -23.761 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.482 -11.750 -23.815 1.00 52.42 H new ATOM 336 N ARG A 23 -3.669 -16.929 -24.881 1.00 3.14 N ATOM 337 CA ARG A 23 -4.195 -18.275 -25.069 1.00 53.14 C ATOM 338 C ARG A 23 -3.871 -19.158 -23.866 1.00 53.31 C ATOM 339 O ARG A 23 -3.015 -18.822 -23.048 1.00 11.32 O ATOM 340 CB ARG A 23 -3.618 -18.898 -26.341 1.00 65.52 C ATOM 341 CG ARG A 23 -4.130 -18.255 -27.620 1.00 43.32 C ATOM 342 CD ARG A 23 -5.649 -18.284 -27.689 1.00 4.23 C ATOM 343 NE ARG A 23 -6.129 -18.807 -28.966 1.00 13.13 N ATOM 344 CZ ARG A 23 -7.372 -19.232 -29.165 1.00 63.53 C ATOM 345 NH1 ARG A 23 -8.254 -19.197 -28.175 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.733 -19.694 -30.355 1.00 32.33 N ATOM 0 H ARG A 23 -2.751 -16.893 -24.437 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.278 -18.204 -25.166 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.531 -18.818 -26.314 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.859 -19.961 -26.357 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.782 -17.224 -27.675 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.716 -18.777 -28.482 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.037 -18.898 -26.877 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.038 -17.277 -27.541 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.474 -18.848 -29.747 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.979 -18.843 -27.259 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -9.208 -19.524 -28.330 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.056 -19.723 -31.118 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.687 -20.020 -30.507 1.00 32.33 H new ATOM 360 N LYS A 24 -4.563 -20.288 -23.766 1.00 71.13 N ATOM 361 CA LYS A 24 -4.350 -21.221 -22.666 1.00 41.04 C ATOM 362 C LYS A 24 -2.981 -21.886 -22.773 1.00 22.22 C ATOM 363 O LYS A 24 -2.800 -22.834 -23.539 1.00 21.24 O ATOM 364 CB LYS A 24 -5.448 -22.286 -22.653 1.00 44.53 C ATOM 365 CG LYS A 24 -6.624 -21.937 -21.756 1.00 62.53 C ATOM 366 CD LYS A 24 -7.906 -22.592 -22.240 1.00 63.55 C ATOM 367 CE LYS A 24 -9.131 -21.788 -21.830 1.00 34.31 C ATOM 368 NZ LYS A 24 -9.846 -21.227 -23.009 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.277 -20.580 -24.434 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.388 -20.658 -21.733 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.810 -22.435 -23.670 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.020 -23.233 -22.325 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.413 -22.258 -20.736 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.754 -20.855 -21.729 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -7.879 -22.689 -23.325 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.978 -23.600 -21.832 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -9.810 -22.425 -21.263 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.828 -20.976 -21.169 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -10.674 -20.686 -22.688 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.206 -20.599 -23.537 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -10.158 -22.003 -23.627 1.00 63.14 H new ATOM 382 N VAL A 25 -2.022 -21.387 -22.001 1.00 32.25 N ATOM 383 CA VAL A 25 -0.671 -21.935 -22.009 1.00 72.11 C ATOM 384 C VAL A 25 -0.444 -22.851 -20.810 1.00 51.12 C ATOM 385 O VAL A 25 -1.301 -22.969 -19.933 1.00 43.45 O ATOM 386 CB VAL A 25 0.388 -20.818 -21.995 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.372 -20.051 -23.308 1.00 11.11 C ATOM 388 CG2 VAL A 25 0.160 -19.882 -20.817 1.00 3.14 C ATOM 0 H VAL A 25 -2.155 -20.604 -21.362 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.568 -22.511 -22.929 1.00 72.11 H new ATOM 0 HB VAL A 25 1.371 -21.274 -21.881 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.127 -19.265 -23.280 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.588 -20.733 -24.130 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.611 -19.604 -23.456 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.918 -19.099 -20.823 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -0.829 -19.431 -20.897 1.00 3.14 H new ATOM 0 HG23 VAL A 25 0.228 -20.445 -19.886 1.00 3.14 H new ATOM 398 N LEU A 26 0.716 -23.497 -20.780 1.00 52.13 N ATOM 399 CA LEU A 26 1.058 -24.403 -19.689 1.00 53.31 C ATOM 400 C LEU A 26 2.412 -24.044 -19.085 1.00 41.52 C ATOM 401 O LEU A 26 3.394 -23.861 -19.803 1.00 23.31 O ATOM 402 CB LEU A 26 1.078 -25.850 -20.186 1.00 34.22 C ATOM 403 CG LEU A 26 -0.249 -26.394 -20.718 1.00 5.53 C ATOM 404 CD1 LEU A 26 -0.436 -26.014 -22.178 1.00 50.53 C ATOM 405 CD2 LEU A 26 -0.312 -27.905 -20.546 1.00 1.25 C ATOM 0 H LEU A 26 1.435 -23.411 -21.498 1.00 52.13 H new ATOM 0 HA LEU A 26 0.297 -24.301 -18.916 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.824 -25.932 -20.976 1.00 34.22 H new ATOM 0 HB3 LEU A 26 1.409 -26.490 -19.368 1.00 34.22 H new ATOM 0 HG LEU A 26 -1.060 -25.948 -20.142 1.00 5.53 H new ATOM 0 HD11 LEU A 26 -1.385 -26.410 -22.538 1.00 50.53 H new ATOM 0 HD12 LEU A 26 -0.436 -24.928 -22.274 1.00 50.53 H new ATOM 0 HD13 LEU A 26 0.379 -26.431 -22.770 1.00 50.53 H new ATOM 0 HD21 LEU A 26 -1.263 -28.276 -20.930 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.507 -28.368 -21.096 1.00 1.25 H new ATOM 0 HD23 LEU A 26 -0.225 -28.155 -19.489 1.00 1.25 H new ATOM 417 N GLY A 27 2.456 -23.944 -17.759 1.00 11.13 N ATOM 418 CA GLY A 27 3.695 -23.609 -17.083 1.00 74.50 C ATOM 419 C GLY A 27 3.462 -22.841 -15.796 1.00 72.22 C ATOM 420 O GLY A 27 2.322 -22.546 -15.437 1.00 33.15 O ATOM 0 H GLY A 27 1.656 -24.089 -17.142 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.244 -24.524 -16.862 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.320 -23.015 -17.749 1.00 74.50 H new ATOM 424 N VAL A 28 4.546 -22.519 -15.097 1.00 0.31 N ATOM 425 CA VAL A 28 4.456 -21.782 -13.842 1.00 11.43 C ATOM 426 C VAL A 28 5.633 -20.827 -13.679 1.00 12.21 C ATOM 427 O VAL A 28 6.710 -21.053 -14.232 1.00 72.43 O ATOM 428 CB VAL A 28 4.410 -22.736 -12.633 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.738 -22.062 -11.446 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.695 -24.026 -13.001 1.00 65.50 C ATOM 0 H VAL A 28 5.497 -22.757 -15.379 1.00 0.31 H new ATOM 0 HA VAL A 28 3.530 -21.208 -13.878 1.00 11.43 H new ATOM 0 HB VAL A 28 5.432 -22.983 -12.347 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.715 -22.751 -10.602 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.298 -21.169 -11.170 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.719 -21.783 -11.715 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.671 -24.689 -12.136 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.675 -23.800 -13.313 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.225 -24.515 -13.818 1.00 65.50 H new ATOM 440 N PHE A 29 5.421 -19.760 -12.915 1.00 21.24 N ATOM 441 CA PHE A 29 6.465 -18.770 -12.679 1.00 24.31 C ATOM 442 C PHE A 29 6.734 -18.609 -11.185 1.00 74.32 C ATOM 443 O PHE A 29 5.805 -18.506 -10.385 1.00 14.41 O ATOM 444 CB PHE A 29 6.066 -17.423 -13.285 1.00 62.43 C ATOM 445 CG PHE A 29 5.807 -17.483 -14.763 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.683 -16.886 -15.308 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.690 -18.137 -15.607 1.00 0.33 C ATOM 448 CE1 PHE A 29 4.442 -16.940 -16.668 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.455 -18.194 -16.968 1.00 64.12 C ATOM 450 CZ PHE A 29 5.329 -17.595 -17.499 1.00 52.54 C ATOM 0 H PHE A 29 4.536 -19.559 -12.449 1.00 21.24 H new ATOM 0 HA PHE A 29 7.379 -19.120 -13.159 1.00 24.31 H new ATOM 0 HB2 PHE A 29 5.170 -17.059 -12.782 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.857 -16.698 -13.092 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.986 -16.372 -14.663 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.572 -18.607 -15.197 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.561 -16.470 -17.080 1.00 43.11 H new ATOM 0 HE2 PHE A 29 7.151 -18.706 -17.616 1.00 64.12 H new ATOM 0 HZ PHE A 29 5.143 -17.639 -18.562 1.00 52.54 H new ATOM 460 N GLN A 30 8.012 -18.590 -10.819 1.00 73.10 N ATOM 461 CA GLN A 30 8.403 -18.443 -9.422 1.00 2.03 C ATOM 462 C GLN A 30 8.920 -17.036 -9.147 1.00 32.14 C ATOM 463 O GLN A 30 10.088 -16.733 -9.392 1.00 10.04 O ATOM 464 CB GLN A 30 9.476 -19.473 -9.060 1.00 11.10 C ATOM 465 CG GLN A 30 9.224 -20.172 -7.735 1.00 21.52 C ATOM 466 CD GLN A 30 9.579 -19.307 -6.541 1.00 3.11 C ATOM 467 OE1 GLN A 30 10.741 -18.957 -6.339 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.576 -18.958 -5.744 1.00 1.20 N ATOM 0 H GLN A 30 8.793 -18.674 -11.470 1.00 73.10 H new ATOM 0 HA GLN A 30 7.521 -18.614 -8.804 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.532 -20.221 -9.851 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.446 -18.977 -9.021 1.00 11.10 H new ATOM 0 HG2 GLN A 30 8.174 -20.457 -7.673 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.807 -21.093 -7.698 1.00 21.52 H new ATOM 0 HE21 GLN A 30 7.628 -19.272 -5.951 1.00 1.20 H new ATOM 0 HE22 GLN A 30 8.754 -18.376 -4.925 1.00 1.20 H new ATOM 477 N LEU A 31 8.043 -16.179 -8.636 1.00 65.02 N ATOM 478 CA LEU A 31 8.410 -14.801 -8.327 1.00 54.50 C ATOM 479 C LEU A 31 9.068 -14.708 -6.953 1.00 53.24 C ATOM 480 O LEU A 31 8.529 -15.200 -5.963 1.00 13.04 O ATOM 481 CB LEU A 31 7.176 -13.899 -8.376 1.00 52.25 C ATOM 482 CG LEU A 31 7.419 -12.450 -8.797 1.00 62.25 C ATOM 483 CD1 LEU A 31 6.133 -11.644 -8.705 1.00 62.41 C ATOM 484 CD2 LEU A 31 8.508 -11.821 -7.940 1.00 64.43 C ATOM 0 H LEU A 31 7.073 -16.414 -8.427 1.00 65.02 H new ATOM 0 HA LEU A 31 9.127 -14.466 -9.077 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.456 -14.340 -9.065 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.713 -13.897 -7.389 1.00 52.25 H new ATOM 0 HG LEU A 31 7.753 -12.445 -9.835 1.00 62.25 H new ATOM 0 HD11 LEU A 31 6.326 -10.615 -9.009 1.00 62.41 H new ATOM 0 HD12 LEU A 31 5.382 -12.081 -9.362 1.00 62.41 H new ATOM 0 HD13 LEU A 31 5.768 -11.657 -7.678 1.00 62.41 H new ATOM 0 HD21 LEU A 31 8.668 -10.789 -8.254 1.00 64.43 H new ATOM 0 HD22 LEU A 31 8.203 -11.839 -6.894 1.00 64.43 H new ATOM 0 HD23 LEU A 31 9.434 -12.384 -8.058 1.00 64.43 H new ATOM 496 N ASN A 32 10.233 -14.071 -6.903 1.00 55.44 N ATOM 497 CA ASN A 32 10.963 -13.911 -5.650 1.00 63.23 C ATOM 498 C ASN A 32 11.321 -12.447 -5.412 1.00 53.21 C ATOM 499 O ASN A 32 12.183 -11.890 -6.090 1.00 30.12 O ATOM 500 CB ASN A 32 12.235 -14.762 -5.665 1.00 15.22 C ATOM 501 CG ASN A 32 11.948 -16.225 -5.945 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.919 -17.049 -5.031 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.735 -16.554 -7.213 1.00 41.33 N ATOM 0 H ASN A 32 10.692 -13.657 -7.715 1.00 55.44 H new ATOM 0 HA ASN A 32 10.318 -14.246 -4.837 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.918 -14.377 -6.422 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.741 -14.671 -4.704 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.538 -17.523 -7.462 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.769 -15.838 -7.938 1.00 41.33 H new ATOM 510 N ILE A 33 10.652 -11.831 -4.443 1.00 31.21 N ATOM 511 CA ILE A 33 10.900 -10.433 -4.114 1.00 31.14 C ATOM 512 C ILE A 33 11.783 -10.309 -2.878 1.00 52.44 C ATOM 513 O ILE A 33 11.535 -10.949 -1.855 1.00 11.10 O ATOM 514 CB ILE A 33 9.584 -9.670 -3.870 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.637 -9.851 -5.058 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.864 -8.194 -3.629 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.674 -11.006 -4.893 1.00 72.22 C ATOM 0 H ILE A 33 9.934 -12.278 -3.872 1.00 31.21 H new ATOM 0 HA ILE A 33 11.412 -9.993 -4.970 1.00 31.14 H new ATOM 0 HB ILE A 33 9.104 -10.078 -2.981 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.068 -8.932 -5.202 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.226 -10.006 -5.962 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.924 -7.669 -3.458 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.506 -8.083 -2.755 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.363 -7.771 -4.501 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.034 -11.074 -5.772 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.235 -11.934 -4.779 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.059 -10.843 -4.008 1.00 72.22 H new ATOM 529 N LYS A 34 12.815 -9.477 -2.976 1.00 22.24 N ATOM 530 CA LYS A 34 13.736 -9.264 -1.865 1.00 23.21 C ATOM 531 C LYS A 34 13.114 -8.354 -0.811 1.00 44.34 C ATOM 532 O LYS A 34 12.265 -7.517 -1.120 1.00 15.11 O ATOM 533 CB LYS A 34 15.045 -8.655 -2.371 1.00 53.34 C ATOM 534 CG LYS A 34 15.025 -7.137 -2.436 1.00 41.43 C ATOM 535 CD LYS A 34 15.795 -6.620 -3.640 1.00 33.21 C ATOM 536 CE LYS A 34 17.129 -6.017 -3.232 1.00 40.23 C ATOM 537 NZ LYS A 34 18.244 -6.498 -4.095 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.035 -8.939 -3.814 1.00 22.24 H new ATOM 0 HA LYS A 34 13.945 -10.231 -1.408 1.00 23.21 H new ATOM 0 HB2 LYS A 34 15.859 -8.972 -1.719 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.260 -9.050 -3.364 1.00 53.34 H new ATOM 0 HG2 LYS A 34 13.994 -6.788 -2.485 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.457 -6.727 -1.523 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.963 -7.436 -4.343 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.199 -5.869 -4.159 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.069 -4.930 -3.289 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.339 -6.270 -2.193 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 19.136 -6.063 -3.784 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 18.319 -7.533 -4.021 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 18.057 -6.234 -5.083 1.00 30.42 H new ATOM 551 N THR A 35 13.541 -8.523 0.437 1.00 41.14 N ATOM 552 CA THR A 35 13.027 -7.718 1.537 1.00 62.04 C ATOM 553 C THR A 35 14.116 -7.430 2.564 1.00 21.21 C ATOM 554 O THR A 35 15.244 -7.908 2.437 1.00 42.41 O ATOM 555 CB THR A 35 11.847 -8.416 2.239 1.00 73.14 C ATOM 556 OG1 THR A 35 12.333 -9.284 3.270 1.00 74.33 O ATOM 557 CG2 THR A 35 11.020 -9.215 1.244 1.00 21.11 C ATOM 0 H THR A 35 14.242 -9.211 0.711 1.00 41.14 H new ATOM 0 HA THR A 35 12.681 -6.778 1.106 1.00 62.04 H new ATOM 0 HB THR A 35 11.212 -7.649 2.681 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.576 -9.723 3.712 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.193 -9.699 1.764 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.626 -8.547 0.478 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.647 -9.974 0.776 1.00 21.11 H new ATOM 565 N ALA A 36 13.772 -6.648 3.581 1.00 32.44 N ATOM 566 CA ALA A 36 14.721 -6.298 4.631 1.00 70.24 C ATOM 567 C ALA A 36 14.877 -7.440 5.631 1.00 54.21 C ATOM 568 O ALA A 36 15.810 -7.449 6.434 1.00 10.51 O ATOM 569 CB ALA A 36 14.276 -5.029 5.343 1.00 11.33 C ATOM 0 H ALA A 36 12.843 -6.244 3.701 1.00 32.44 H new ATOM 0 HA ALA A 36 15.691 -6.120 4.166 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.994 -4.779 6.124 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.221 -4.210 4.626 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.294 -5.187 5.789 1.00 11.33 H new ATOM 575 N SER A 37 13.960 -8.399 5.575 1.00 12.43 N ATOM 576 CA SER A 37 13.995 -9.543 6.479 1.00 24.12 C ATOM 577 C SER A 37 14.217 -10.840 5.705 1.00 71.45 C ATOM 578 O SER A 37 14.025 -11.933 6.236 1.00 35.33 O ATOM 579 CB SER A 37 12.693 -9.629 7.278 1.00 74.34 C ATOM 580 OG SER A 37 12.815 -8.967 8.524 1.00 31.32 O ATOM 0 H SER A 37 13.184 -8.407 4.914 1.00 12.43 H new ATOM 0 HA SER A 37 14.827 -9.404 7.169 1.00 24.12 H new ATOM 0 HB2 SER A 37 11.880 -9.184 6.704 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.432 -10.674 7.442 1.00 74.34 H new ATOM 0 HG SER A 37 11.969 -9.035 9.015 1.00 31.32 H new ATOM 586 N GLY A 38 14.621 -10.708 4.446 1.00 20.32 N ATOM 587 CA GLY A 38 14.862 -11.876 3.618 1.00 11.02 C ATOM 588 C GLY A 38 14.262 -11.739 2.233 1.00 44.13 C ATOM 589 O GLY A 38 14.446 -10.719 1.567 1.00 2.10 O ATOM 0 H GLY A 38 14.786 -9.814 3.984 1.00 20.32 H new ATOM 0 HA2 GLY A 38 15.936 -12.040 3.531 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.444 -12.756 4.106 1.00 11.02 H new ATOM 593 N VAL A 39 13.546 -12.769 1.795 1.00 25.01 N ATOM 594 CA VAL A 39 12.917 -12.760 0.479 1.00 53.13 C ATOM 595 C VAL A 39 11.549 -13.432 0.518 1.00 4.40 C ATOM 596 O VAL A 39 11.378 -14.473 1.149 1.00 12.03 O ATOM 597 CB VAL A 39 13.797 -13.470 -0.567 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.714 -14.979 -0.398 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.388 -13.059 -1.974 1.00 44.20 C ATOM 0 H VAL A 39 13.387 -13.621 2.332 1.00 25.01 H new ATOM 0 HA VAL A 39 12.796 -11.715 0.193 1.00 53.13 H new ATOM 0 HB VAL A 39 14.833 -13.168 -0.411 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.342 -15.464 -1.145 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.059 -15.253 0.599 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.681 -15.303 -0.526 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.020 -13.570 -2.700 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.346 -13.331 -2.144 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.504 -11.981 -2.086 1.00 44.20 H new ATOM 609 N GLU A 40 10.581 -12.827 -0.162 1.00 32.42 N ATOM 610 CA GLU A 40 9.227 -13.367 -0.205 1.00 60.10 C ATOM 611 C GLU A 40 9.023 -14.227 -1.449 1.00 42.53 C ATOM 612 O GLU A 40 9.162 -13.749 -2.575 1.00 20.13 O ATOM 613 CB GLU A 40 8.200 -12.234 -0.180 1.00 24.13 C ATOM 614 CG GLU A 40 8.385 -11.268 0.979 1.00 11.04 C ATOM 615 CD GLU A 40 7.289 -11.390 2.019 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.745 -10.343 2.431 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.975 -12.529 2.421 1.00 55.13 O1- ATOM 0 H GLU A 40 10.708 -11.964 -0.690 1.00 32.42 H new ATOM 0 HA GLU A 40 9.086 -13.994 0.676 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.260 -11.680 -1.117 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.199 -12.663 -0.128 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.350 -11.452 1.450 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.406 -10.247 0.597 1.00 11.04 H new ATOM 624 N GLN A 41 8.694 -15.497 -1.236 1.00 42.11 N ATOM 625 CA GLN A 41 8.472 -16.423 -2.341 1.00 75.52 C ATOM 626 C GLN A 41 7.028 -16.357 -2.825 1.00 53.35 C ATOM 627 O GLN A 41 6.098 -16.259 -2.023 1.00 61.42 O ATOM 628 CB GLN A 41 8.815 -17.851 -1.913 1.00 53.24 C ATOM 629 CG GLN A 41 10.292 -18.061 -1.620 1.00 24.20 C ATOM 630 CD GLN A 41 11.050 -18.615 -2.810 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.453 -19.107 -3.767 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.375 -18.540 -2.754 1.00 4.21 N ATOM 0 H GLN A 41 8.575 -15.908 -0.310 1.00 42.11 H new ATOM 0 HA GLN A 41 9.125 -16.131 -3.164 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.237 -18.103 -1.024 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.508 -18.541 -2.699 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.737 -17.112 -1.320 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.398 -18.744 -0.777 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.828 -18.124 -1.941 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.939 -18.899 -3.524 1.00 4.21 H new ATOM 641 N TRP A 42 6.846 -16.413 -4.139 1.00 43.02 N ATOM 642 CA TRP A 42 5.514 -16.359 -4.730 1.00 5.44 C ATOM 643 C TRP A 42 5.431 -17.244 -5.969 1.00 60.44 C ATOM 644 O TRP A 42 6.438 -17.497 -6.630 1.00 11.52 O ATOM 645 CB TRP A 42 5.151 -14.918 -5.092 1.00 34.30 C ATOM 646 CG TRP A 42 5.029 -14.018 -3.900 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.015 -13.254 -3.346 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.854 -13.792 -3.114 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.524 -12.565 -2.263 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.200 -12.877 -2.101 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.542 -14.271 -3.170 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.283 -12.436 -1.151 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.632 -13.831 -2.227 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.005 -12.921 -1.229 1.00 22.13 C ATOM 0 H TRP A 42 7.604 -16.496 -4.816 1.00 43.02 H new ATOM 0 HA TRP A 42 4.802 -16.731 -3.993 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.910 -14.518 -5.764 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.208 -14.915 -5.638 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.032 -13.199 -3.706 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.059 -11.925 -1.675 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.245 -14.972 -3.936 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.569 -11.736 -0.380 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.616 -14.195 -2.260 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.270 -12.596 -0.507 1.00 22.13 H new ATOM 665 N ILE A 43 4.226 -17.711 -6.278 1.00 22.22 N ATOM 666 CA ILE A 43 4.013 -18.567 -7.439 1.00 14.53 C ATOM 667 C ILE A 43 2.876 -18.041 -8.308 1.00 73.12 C ATOM 668 O ILE A 43 1.765 -17.818 -7.827 1.00 34.33 O ATOM 669 CB ILE A 43 3.698 -20.015 -7.020 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.754 -20.527 -6.038 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.624 -20.916 -8.244 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.211 -20.789 -4.650 1.00 2.14 C ATOM 0 H ILE A 43 3.382 -17.511 -5.741 1.00 22.22 H new ATOM 0 HA ILE A 43 4.939 -18.558 -8.013 1.00 14.53 H new ATOM 0 HB ILE A 43 2.729 -20.031 -6.522 1.00 20.41 H new ATOM 0 HG12 ILE A 43 5.187 -21.447 -6.430 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.561 -19.798 -5.972 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.401 -21.936 -7.932 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.838 -20.560 -8.911 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.580 -20.898 -8.768 1.00 31.11 H new ATOM 0 HD11 ILE A 43 5.014 -21.150 -4.007 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.804 -19.866 -4.238 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.424 -21.541 -4.703 1.00 2.14 H new ATOM 684 N VAL A 44 3.160 -17.848 -9.592 1.00 32.54 N ATOM 685 CA VAL A 44 2.161 -17.353 -10.530 1.00 1.41 C ATOM 686 C VAL A 44 2.001 -18.299 -11.714 1.00 62.00 C ATOM 687 O VAL A 44 2.831 -18.318 -12.624 1.00 64.24 O ATOM 688 CB VAL A 44 2.529 -15.951 -11.053 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.753 -14.879 -10.303 1.00 0.24 C ATOM 690 CG2 VAL A 44 4.027 -15.716 -10.936 1.00 14.24 C ATOM 0 H VAL A 44 4.075 -18.027 -10.006 1.00 32.54 H new ATOM 0 HA VAL A 44 1.218 -17.295 -9.986 1.00 1.41 H new ATOM 0 HB VAL A 44 2.256 -15.892 -12.107 1.00 75.11 H new ATOM 0 HG11 VAL A 44 2.027 -13.896 -10.687 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.684 -15.038 -10.443 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.992 -14.933 -9.241 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.270 -14.721 -11.310 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.327 -15.794 -9.891 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.560 -16.464 -11.523 1.00 14.24 H new ATOM 700 N ASP A 45 0.929 -19.084 -11.696 1.00 45.32 N ATOM 701 CA ASP A 45 0.659 -20.033 -12.770 1.00 21.31 C ATOM 702 C ASP A 45 0.037 -19.330 -13.973 1.00 43.53 C ATOM 703 O ASP A 45 -0.567 -18.265 -13.839 1.00 12.42 O ATOM 704 CB ASP A 45 -0.270 -21.143 -12.276 1.00 64.12 C ATOM 705 CG ASP A 45 -1.326 -21.512 -13.299 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.166 -22.556 -13.967 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.313 -20.759 -13.433 1.00 51.12 O1- ATOM 0 H ASP A 45 0.233 -19.082 -10.950 1.00 45.32 H new ATOM 0 HA ASP A 45 1.607 -20.473 -13.080 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.321 -22.026 -12.033 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.757 -20.822 -11.355 1.00 64.12 H new ATOM 712 N LEU A 46 0.191 -19.931 -15.148 1.00 52.01 N ATOM 713 CA LEU A 46 -0.353 -19.364 -16.376 1.00 33.22 C ATOM 714 C LEU A 46 -1.423 -20.274 -16.969 1.00 13.22 C ATOM 715 O LEU A 46 -2.161 -19.877 -17.871 1.00 72.41 O ATOM 716 CB LEU A 46 0.764 -19.138 -17.396 1.00 61.21 C ATOM 717 CG LEU A 46 1.905 -20.154 -17.377 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.495 -20.320 -18.769 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.981 -19.731 -16.387 1.00 32.43 C ATOM 0 H LEU A 46 0.689 -20.812 -15.276 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.812 -18.406 -16.132 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.323 -19.135 -18.393 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.185 -18.146 -17.231 1.00 61.21 H new ATOM 0 HG LEU A 46 1.504 -21.116 -17.057 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.306 -21.047 -18.736 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.722 -20.670 -19.453 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.881 -19.362 -19.117 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.785 -20.467 -16.387 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.379 -18.758 -16.676 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.550 -19.665 -15.388 1.00 32.43 H new ATOM 731 N LYS A 47 -1.503 -21.497 -16.456 1.00 32.14 N ATOM 732 CA LYS A 47 -2.485 -22.464 -16.932 1.00 73.41 C ATOM 733 C LYS A 47 -3.898 -22.041 -16.545 1.00 25.15 C ATOM 734 O LYS A 47 -4.795 -22.000 -17.387 1.00 30.54 O ATOM 735 CB LYS A 47 -2.182 -23.852 -16.361 1.00 12.14 C ATOM 736 CG LYS A 47 -0.741 -24.290 -16.557 1.00 71.22 C ATOM 737 CD LYS A 47 -0.168 -24.906 -15.293 1.00 44.04 C ATOM 738 CE LYS A 47 0.494 -26.246 -15.576 1.00 52.41 C ATOM 739 NZ LYS A 47 1.668 -26.482 -14.692 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.899 -21.842 -15.710 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.422 -22.503 -18.019 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.412 -23.855 -15.296 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.842 -24.581 -16.832 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.687 -25.012 -17.371 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.136 -23.432 -16.851 1.00 71.22 H new ATOM 0 HD2 LYS A 47 0.560 -24.225 -14.853 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -0.963 -25.040 -14.559 1.00 44.04 H new ATOM 0 HE2 LYS A 47 -0.232 -27.047 -15.436 1.00 52.41 H new ATOM 0 HE3 LYS A 47 0.811 -26.281 -16.618 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 2.091 -27.405 -14.916 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 2.373 -25.732 -14.843 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.362 -26.474 -13.698 1.00 64.34 H new ATOM 753 N GLN A 48 -4.088 -21.725 -15.268 1.00 45.21 N ATOM 754 CA GLN A 48 -5.392 -21.304 -14.771 1.00 10.22 C ATOM 755 C GLN A 48 -5.379 -19.827 -14.393 1.00 4.23 C ATOM 756 O GLN A 48 -6.396 -19.275 -13.968 1.00 2.01 O ATOM 757 CB GLN A 48 -5.798 -22.149 -13.562 1.00 63.24 C ATOM 758 CG GLN A 48 -5.890 -23.635 -13.862 1.00 72.31 C ATOM 759 CD GLN A 48 -6.427 -24.435 -12.692 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.599 -24.816 -12.670 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.572 -24.695 -11.710 1.00 43.10 N ATOM 0 H GLN A 48 -3.355 -21.753 -14.559 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.121 -21.450 -15.568 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.076 -21.993 -12.761 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.763 -21.801 -13.193 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.534 -23.788 -14.728 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.902 -24.009 -14.130 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.610 -24.360 -11.769 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.877 -25.230 -10.897 1.00 43.10 H new ATOM 770 N LEU A 49 -4.224 -19.191 -14.549 1.00 40.44 N ATOM 771 CA LEU A 49 -4.078 -17.776 -14.224 1.00 12.54 C ATOM 772 C LEU A 49 -4.392 -17.521 -12.753 1.00 71.02 C ATOM 773 O LEU A 49 -5.402 -16.901 -12.422 1.00 2.15 O ATOM 774 CB LEU A 49 -4.997 -16.932 -15.107 1.00 75.10 C ATOM 775 CG LEU A 49 -4.792 -17.072 -16.616 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.312 -17.015 -16.961 1.00 31.41 C ATOM 777 CD2 LEU A 49 -5.410 -18.368 -17.120 1.00 22.10 C ATOM 0 H LEU A 49 -3.374 -19.633 -14.899 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.043 -17.490 -14.411 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.030 -17.192 -14.875 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -4.864 -15.884 -14.838 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.291 -16.239 -17.110 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.186 -17.116 -18.039 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -2.899 -16.060 -16.635 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.789 -17.828 -16.456 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -5.255 -18.451 -18.196 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.940 -19.214 -16.619 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -6.479 -18.368 -16.907 1.00 22.10 H new ATOM 789 N LYS A 50 -3.517 -18.000 -11.875 1.00 54.03 N ATOM 790 CA LYS A 50 -3.698 -17.822 -10.439 1.00 73.12 C ATOM 791 C LYS A 50 -2.397 -17.377 -9.778 1.00 13.13 C ATOM 792 O LYS A 50 -1.376 -17.211 -10.445 1.00 33.05 O ATOM 793 CB LYS A 50 -4.188 -19.123 -9.800 1.00 23.41 C ATOM 794 CG LYS A 50 -3.375 -20.341 -10.200 1.00 12.24 C ATOM 795 CD LYS A 50 -3.921 -21.609 -9.565 1.00 71.24 C ATOM 796 CE LYS A 50 -2.948 -22.187 -8.549 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.225 -23.623 -8.269 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.675 -18.515 -12.133 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.447 -17.045 -10.286 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.160 -19.018 -8.715 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.230 -19.285 -10.078 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.382 -20.444 -11.285 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.336 -20.201 -9.900 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -4.872 -21.393 -9.078 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -4.121 -22.348 -10.340 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.929 -22.080 -8.921 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.011 -21.618 -7.622 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.540 -23.979 -7.572 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.188 -23.723 -7.890 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.140 -24.171 -9.149 1.00 41.23 H new ATOM 811 N VAL A 51 -2.441 -17.188 -8.463 1.00 11.01 N ATOM 812 CA VAL A 51 -1.266 -16.765 -7.712 1.00 51.13 C ATOM 813 C VAL A 51 -1.268 -17.359 -6.308 1.00 24.24 C ATOM 814 O VAL A 51 -2.316 -17.469 -5.671 1.00 11.33 O ATOM 815 CB VAL A 51 -1.188 -15.231 -7.608 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.514 -14.660 -7.132 1.00 60.22 C ATOM 817 CG2 VAL A 51 -0.056 -14.817 -6.679 1.00 51.31 C ATOM 0 H VAL A 51 -3.278 -17.321 -7.896 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.395 -17.129 -8.257 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.981 -14.827 -8.599 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.440 -13.575 -7.065 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.300 -14.927 -7.839 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.755 -15.069 -6.151 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -0.015 -13.730 -6.617 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.231 -15.231 -5.686 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.890 -15.194 -7.068 1.00 51.31 H new ATOM 827 N ASP A 52 -0.088 -17.742 -5.830 1.00 34.02 N ATOM 828 CA ASP A 52 0.046 -18.324 -4.500 1.00 10.05 C ATOM 829 C ASP A 52 1.348 -17.877 -3.842 1.00 41.12 C ATOM 830 O ASP A 52 2.215 -17.294 -4.491 1.00 32.23 O ATOM 831 CB ASP A 52 -0.002 -19.849 -4.581 1.00 62.44 C ATOM 832 CG ASP A 52 -1.120 -20.348 -5.476 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.889 -20.482 -6.695 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.226 -20.603 -4.956 1.00 41.01 O1- ATOM 0 H ASP A 52 0.789 -17.660 -6.344 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.787 -17.975 -3.890 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.952 -20.220 -4.956 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.132 -20.259 -3.579 1.00 62.44 H new ATOM 839 N GLN A 53 1.475 -18.154 -2.547 1.00 45.12 N ATOM 840 CA GLN A 53 2.670 -17.779 -1.801 1.00 63.05 C ATOM 841 C GLN A 53 3.646 -18.948 -1.712 1.00 31.52 C ATOM 842 O GLN A 53 3.272 -20.099 -1.934 1.00 43.42 O ATOM 843 CB GLN A 53 2.293 -17.306 -0.397 1.00 21.35 C ATOM 844 CG GLN A 53 2.033 -18.443 0.579 1.00 51.34 C ATOM 845 CD GLN A 53 0.763 -19.207 0.258 1.00 13.11 C ATOM 846 OE1 GLN A 53 0.868 -20.181 -0.639 1.00 31.44 O flip ATOM 847 NE2 GLN A 53 -0.301 -18.926 0.811 1.00 1.42 N flip ATOM 0 H GLN A 53 0.766 -18.636 -1.994 1.00 45.12 H new ATOM 0 HA GLN A 53 3.158 -16.962 -2.333 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.095 -16.679 -0.006 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.402 -16.681 -0.460 1.00 21.35 H new ATOM 0 HG2 GLN A 53 2.879 -19.130 0.565 1.00 51.34 H new ATOM 0 HG3 GLN A 53 1.965 -18.041 1.590 1.00 51.34 H new ATOM 0 HE21 GLN A 53 -0.336 -18.170 1.494 1.00 1.42 H new ATOM 0 HE22 GLN A 53 -1.147 -19.450 0.586 1.00 1.42 H new ATOM 856 N GLY A 54 4.898 -18.645 -1.385 1.00 60.23 N ATOM 857 CA GLY A 54 5.908 -19.681 -1.273 1.00 32.11 C ATOM 858 C GLY A 54 6.517 -20.045 -2.612 1.00 61.12 C ATOM 859 O GLY A 54 6.513 -19.240 -3.543 1.00 34.53 O ATOM 0 H GLY A 54 5.231 -17.700 -1.195 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.696 -19.345 -0.599 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.464 -20.570 -0.826 1.00 32.11 H new ATOM 863 N VAL A 55 7.043 -21.262 -2.710 1.00 63.32 N ATOM 864 CA VAL A 55 7.659 -21.731 -3.946 1.00 0.23 C ATOM 865 C VAL A 55 6.921 -22.944 -4.501 1.00 31.05 C ATOM 866 O VAL A 55 6.400 -23.766 -3.748 1.00 13.53 O ATOM 867 CB VAL A 55 9.139 -22.099 -3.730 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.274 -23.156 -2.644 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.764 -22.577 -5.032 1.00 61.54 C ATOM 0 H VAL A 55 7.055 -21.941 -1.949 1.00 63.32 H new ATOM 0 HA VAL A 55 7.597 -20.912 -4.662 1.00 0.23 H new ATOM 0 HB VAL A 55 9.673 -21.207 -3.403 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.327 -23.403 -2.506 1.00 35.12 H new ATOM 0 HG12 VAL A 55 8.866 -22.772 -1.709 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.727 -24.052 -2.938 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.810 -22.833 -4.861 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.229 -23.456 -5.391 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.701 -21.785 -5.778 1.00 61.54 H new ATOM 879 N PHE A 56 6.882 -23.049 -5.826 1.00 21.01 N ATOM 880 CA PHE A 56 6.208 -24.163 -6.484 1.00 21.13 C ATOM 881 C PHE A 56 7.079 -25.415 -6.466 1.00 72.32 C ATOM 882 O PHE A 56 8.307 -25.329 -6.453 1.00 54.15 O ATOM 883 CB PHE A 56 5.857 -23.793 -7.926 1.00 15.22 C ATOM 884 CG PHE A 56 4.909 -24.757 -8.579 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.240 -25.371 -9.776 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.687 -25.050 -7.996 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.370 -26.260 -10.379 1.00 22.55 C ATOM 888 CE2 PHE A 56 2.813 -25.937 -8.594 1.00 40.34 C ATOM 889 CZ PHE A 56 3.154 -26.542 -9.788 1.00 32.22 C ATOM 0 H PHE A 56 7.309 -22.377 -6.464 1.00 21.01 H new ATOM 0 HA PHE A 56 5.290 -24.374 -5.936 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.416 -22.796 -7.940 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.774 -23.744 -8.513 1.00 15.22 H new ATOM 0 HD1 PHE A 56 6.189 -25.153 -10.243 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.414 -24.579 -7.063 1.00 11.02 H new ATOM 0 HE1 PHE A 56 4.641 -26.733 -11.311 1.00 22.55 H new ATOM 0 HE2 PHE A 56 1.864 -26.157 -8.128 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.471 -27.234 -10.258 1.00 32.22 H new ATOM 899 N ALA A 57 6.435 -26.577 -6.462 1.00 32.10 N ATOM 900 CA ALA A 57 7.150 -27.846 -6.447 1.00 4.40 C ATOM 901 C ALA A 57 8.229 -27.883 -7.524 1.00 45.14 C ATOM 902 O ALA A 57 9.279 -28.500 -7.344 1.00 5.11 O ATOM 903 CB ALA A 57 6.178 -29.003 -6.632 1.00 15.14 C ATOM 0 H ALA A 57 5.419 -26.665 -6.469 1.00 32.10 H new ATOM 0 HA ALA A 57 7.638 -27.947 -5.478 1.00 4.40 H new ATOM 0 HB1 ALA A 57 6.727 -29.945 -6.619 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.447 -28.997 -5.823 1.00 15.14 H new ATOM 0 HB3 ALA A 57 5.663 -28.897 -7.587 1.00 15.14 H new ATOM 909 N SER A 58 7.964 -27.216 -8.643 1.00 54.32 N ATOM 910 CA SER A 58 8.911 -27.176 -9.752 1.00 12.25 C ATOM 911 C SER A 58 8.378 -26.311 -10.890 1.00 23.03 C ATOM 912 O SER A 58 7.802 -26.804 -11.860 1.00 74.33 O ATOM 913 CB SER A 58 9.194 -28.591 -10.260 1.00 24.15 C ATOM 914 OG SER A 58 10.536 -28.717 -10.696 1.00 63.33 O ATOM 0 H SER A 58 7.102 -26.696 -8.806 1.00 54.32 H new ATOM 0 HA SER A 58 9.840 -26.736 -9.389 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.997 -29.312 -9.467 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.518 -28.828 -11.081 1.00 24.15 H new ATOM 0 HG SER A 58 10.692 -29.631 -11.014 1.00 63.33 H new ATOM 920 N PRO A 59 8.575 -24.990 -10.770 1.00 64.12 N ATOM 921 CA PRO A 59 8.123 -24.028 -11.778 1.00 73.32 C ATOM 922 C PRO A 59 8.921 -24.128 -13.074 1.00 23.22 C ATOM 923 O PRO A 59 10.094 -24.504 -13.065 1.00 4.44 O ATOM 924 CB PRO A 59 8.361 -22.672 -11.108 1.00 61.42 C ATOM 925 CG PRO A 59 9.450 -22.923 -10.123 1.00 4.13 C ATOM 926 CD PRO A 59 9.255 -24.334 -9.640 1.00 10.03 C ATOM 0 HA PRO A 59 7.086 -24.200 -12.068 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.653 -21.916 -11.837 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.458 -22.309 -10.616 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.430 -22.801 -10.585 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.398 -22.216 -9.295 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.206 -24.815 -9.409 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.652 -24.369 -8.733 1.00 10.03 H new ATOM 934 N ASP A 60 8.279 -23.789 -14.187 1.00 20.31 N ATOM 935 CA ASP A 60 8.930 -23.840 -15.491 1.00 71.05 C ATOM 936 C ASP A 60 9.972 -22.732 -15.621 1.00 72.31 C ATOM 937 O ASP A 60 10.905 -22.835 -16.417 1.00 5.43 O ATOM 938 CB ASP A 60 7.893 -23.716 -16.608 1.00 60.31 C ATOM 939 CG ASP A 60 8.285 -24.490 -17.851 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.455 -25.281 -18.344 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.422 -24.302 -18.332 1.00 72.43 O1- ATOM 0 H ASP A 60 7.309 -23.476 -14.212 1.00 20.31 H new ATOM 0 HA ASP A 60 9.435 -24.802 -15.581 1.00 71.05 H new ATOM 0 HB2 ASP A 60 6.930 -24.077 -16.247 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.763 -22.665 -16.864 1.00 60.31 H new ATOM 946 N VAL A 61 9.803 -21.673 -14.836 1.00 23.13 N ATOM 947 CA VAL A 61 10.729 -20.546 -14.864 1.00 4.42 C ATOM 948 C VAL A 61 10.778 -19.843 -13.512 1.00 2.01 C ATOM 949 O VAL A 61 9.762 -19.713 -12.829 1.00 3.25 O ATOM 950 CB VAL A 61 10.337 -19.525 -15.948 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.178 -18.264 -15.822 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.482 -20.137 -17.333 1.00 33.43 C ATOM 0 H VAL A 61 9.034 -21.571 -14.173 1.00 23.13 H new ATOM 0 HA VAL A 61 11.714 -20.950 -15.096 1.00 4.42 H new ATOM 0 HB VAL A 61 9.292 -19.251 -15.805 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.887 -17.554 -16.596 1.00 0.55 H new ATOM 0 HG12 VAL A 61 11.018 -17.817 -14.841 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.232 -18.516 -15.939 1.00 0.55 H new ATOM 0 HG21 VAL A 61 10.201 -19.402 -18.087 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.517 -20.440 -17.490 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.832 -21.008 -17.416 1.00 33.43 H new ATOM 962 N THR A 62 11.968 -19.387 -13.132 1.00 50.24 N ATOM 963 CA THR A 62 12.152 -18.697 -11.861 1.00 14.23 C ATOM 964 C THR A 62 12.461 -17.220 -12.077 1.00 31.34 C ATOM 965 O THR A 62 13.492 -16.870 -12.652 1.00 52.43 O ATOM 966 CB THR A 62 13.286 -19.333 -11.035 1.00 64.24 C ATOM 967 OG1 THR A 62 13.890 -20.400 -11.772 1.00 4.13 O ATOM 968 CG2 THR A 62 12.759 -19.860 -9.709 1.00 53.40 C ATOM 0 H THR A 62 12.819 -19.483 -13.687 1.00 50.24 H new ATOM 0 HA THR A 62 11.216 -18.792 -11.311 1.00 14.23 H new ATOM 0 HB THR A 62 14.032 -18.565 -10.832 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.611 -20.798 -11.240 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.578 -20.305 -9.143 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.326 -19.039 -9.137 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.995 -20.615 -9.895 1.00 53.40 H new ATOM 976 N VAL A 63 11.563 -16.357 -11.614 1.00 71.42 N ATOM 977 CA VAL A 63 11.743 -14.917 -11.755 1.00 52.44 C ATOM 978 C VAL A 63 12.246 -14.296 -10.457 1.00 12.25 C ATOM 979 O VAL A 63 11.687 -14.530 -9.385 1.00 15.12 O ATOM 980 CB VAL A 63 10.430 -14.226 -12.166 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.631 -12.723 -12.284 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.910 -14.806 -13.474 1.00 54.53 C ATOM 0 H VAL A 63 10.703 -16.630 -11.138 1.00 71.42 H new ATOM 0 HA VAL A 63 12.486 -14.766 -12.538 1.00 52.44 H new ATOM 0 HB VAL A 63 9.686 -14.409 -11.391 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.692 -12.252 -12.575 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.955 -12.323 -11.323 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.390 -12.516 -13.038 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.981 -14.306 -13.750 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.651 -14.654 -14.259 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.725 -15.873 -13.351 1.00 54.53 H new ATOM 992 N THR A 64 13.307 -13.501 -10.560 1.00 21.22 N ATOM 993 CA THR A 64 13.887 -12.846 -9.395 1.00 44.01 C ATOM 994 C THR A 64 13.923 -11.333 -9.576 1.00 25.10 C ATOM 995 O THR A 64 14.721 -10.810 -10.353 1.00 72.04 O ATOM 996 CB THR A 64 15.316 -13.353 -9.118 1.00 34.33 C ATOM 997 OG1 THR A 64 15.651 -14.400 -10.037 1.00 1.35 O ATOM 998 CG2 THR A 64 15.442 -13.864 -7.691 1.00 73.53 C ATOM 0 H THR A 64 13.782 -13.296 -11.439 1.00 21.22 H new ATOM 0 HA THR A 64 13.251 -13.092 -8.545 1.00 44.01 H new ATOM 0 HB THR A 64 16.006 -12.519 -9.250 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.561 -14.716 -9.856 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.459 -14.216 -7.519 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.215 -13.057 -6.994 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.742 -14.685 -7.535 1.00 73.53 H new ATOM 1006 N VAL A 65 13.054 -10.635 -8.854 1.00 24.10 N ATOM 1007 CA VAL A 65 12.987 -9.180 -8.933 1.00 44.40 C ATOM 1008 C VAL A 65 13.028 -8.551 -7.545 1.00 72.43 C ATOM 1009 O VAL A 65 12.430 -9.066 -6.601 1.00 51.43 O ATOM 1010 CB VAL A 65 11.711 -8.715 -9.658 1.00 33.51 C ATOM 1011 CG1 VAL A 65 11.552 -7.207 -9.548 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.737 -9.152 -11.116 1.00 61.51 C ATOM 0 H VAL A 65 12.386 -11.053 -8.207 1.00 24.10 H new ATOM 0 HA VAL A 65 13.858 -8.854 -9.502 1.00 44.40 H new ATOM 0 HB VAL A 65 10.851 -9.182 -9.177 1.00 33.51 H new ATOM 0 HG11 VAL A 65 10.644 -6.898 -10.067 1.00 53.11 H new ATOM 0 HG12 VAL A 65 11.484 -6.924 -8.498 1.00 53.11 H new ATOM 0 HG13 VAL A 65 12.414 -6.716 -10.001 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.827 -8.815 -11.613 1.00 61.51 H new ATOM 0 HG22 VAL A 65 12.604 -8.716 -11.611 1.00 61.51 H new ATOM 0 HG23 VAL A 65 11.798 -10.239 -11.169 1.00 61.51 H new ATOM 1022 N GLY A 66 13.737 -7.432 -7.429 1.00 71.14 N ATOM 1023 CA GLY A 66 13.841 -6.750 -6.151 1.00 41.23 C ATOM 1024 C GLY A 66 12.573 -6.007 -5.786 1.00 23.54 C ATOM 1025 O GLY A 66 11.689 -5.821 -6.623 1.00 73.14 O ATOM 0 H GLY A 66 14.241 -6.986 -8.196 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.069 -7.477 -5.372 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.673 -6.047 -6.184 1.00 41.23 H new ATOM 1029 N LEU A 67 12.480 -5.579 -4.531 1.00 13.24 N ATOM 1030 CA LEU A 67 11.309 -4.852 -4.055 1.00 45.22 C ATOM 1031 C LEU A 67 11.179 -3.507 -4.762 1.00 21.23 C ATOM 1032 O LEU A 67 10.117 -3.172 -5.287 1.00 45.23 O ATOM 1033 CB LEU A 67 11.396 -4.640 -2.542 1.00 52.23 C ATOM 1034 CG LEU A 67 10.063 -4.505 -1.805 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.474 -5.876 -1.512 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.243 -3.712 -0.518 1.00 21.12 C ATOM 0 H LEU A 67 13.202 -5.723 -3.825 1.00 13.24 H new ATOM 0 HA LEU A 67 10.425 -5.448 -4.282 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.944 -5.477 -2.109 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.984 -3.742 -2.354 1.00 52.23 H new ATOM 0 HG LEU A 67 9.368 -3.964 -2.447 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.526 -5.760 -0.987 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.308 -6.408 -2.449 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.166 -6.444 -0.890 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.284 -3.626 -0.007 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.955 -4.225 0.129 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.619 -2.717 -0.754 1.00 21.12 H new ATOM 1048 N GLU A 68 12.266 -2.742 -4.772 1.00 23.10 N ATOM 1049 CA GLU A 68 12.272 -1.433 -5.417 1.00 24.34 C ATOM 1050 C GLU A 68 11.712 -1.522 -6.833 1.00 61.31 C ATOM 1051 O GLU A 68 10.745 -0.839 -7.173 1.00 21.23 O ATOM 1052 CB GLU A 68 13.693 -0.865 -5.453 1.00 2.03 C ATOM 1053 CG GLU A 68 14.169 -0.334 -4.112 1.00 62.33 C ATOM 1054 CD GLU A 68 14.476 1.151 -4.148 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.587 1.516 -4.588 1.00 72.13 O ATOM 1056 OE2 GLU A 68 13.607 1.947 -3.738 1.00 60.41 O1- ATOM 0 H GLU A 68 13.153 -3.005 -4.342 1.00 23.10 H new ATOM 0 HA GLU A 68 11.636 -0.766 -4.835 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.378 -1.643 -5.790 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.736 -0.062 -6.189 1.00 2.03 H new ATOM 0 HG2 GLU A 68 13.405 -0.525 -3.358 1.00 62.33 H new ATOM 0 HG3 GLU A 68 15.062 -0.879 -3.806 1.00 62.33 H new ATOM 1063 N ASP A 69 12.326 -2.367 -7.654 1.00 20.45 N ATOM 1064 CA ASP A 69 11.889 -2.546 -9.034 1.00 42.22 C ATOM 1065 C ASP A 69 10.395 -2.846 -9.096 1.00 43.43 C ATOM 1066 O ASP A 69 9.659 -2.227 -9.864 1.00 14.14 O ATOM 1067 CB ASP A 69 12.678 -3.676 -9.698 1.00 71.20 C ATOM 1068 CG ASP A 69 12.107 -4.064 -11.048 1.00 61.35 C ATOM 1069 OD1 ASP A 69 12.339 -5.212 -11.483 1.00 51.33 O ATOM 1070 OD2 ASP A 69 11.427 -3.221 -11.669 1.00 23.21 O1- ATOM 0 H ASP A 69 13.128 -2.939 -7.388 1.00 20.45 H new ATOM 0 HA ASP A 69 12.077 -1.617 -9.573 1.00 42.22 H new ATOM 0 HB2 ASP A 69 13.716 -3.367 -9.821 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.680 -4.547 -9.043 1.00 71.20 H new ATOM 1075 N MET A 70 9.954 -3.801 -8.283 1.00 54.02 N ATOM 1076 CA MET A 70 8.547 -4.183 -8.247 1.00 40.11 C ATOM 1077 C MET A 70 7.657 -2.962 -8.040 1.00 33.44 C ATOM 1078 O MET A 70 6.737 -2.712 -8.819 1.00 2.01 O ATOM 1079 CB MET A 70 8.302 -5.203 -7.132 1.00 64.44 C ATOM 1080 CG MET A 70 7.306 -6.287 -7.509 1.00 53.12 C ATOM 1081 SD MET A 70 8.090 -7.891 -7.766 1.00 44.35 S ATOM 1082 CE MET A 70 7.024 -8.589 -9.026 1.00 74.02 C ATOM 0 H MET A 70 10.550 -4.324 -7.641 1.00 54.02 H new ATOM 0 HA MET A 70 8.294 -4.636 -9.206 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.250 -5.669 -6.863 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.941 -4.681 -6.246 1.00 64.44 H new ATOM 0 HG2 MET A 70 6.556 -6.375 -6.723 1.00 53.12 H new ATOM 0 HG3 MET A 70 6.782 -5.993 -8.418 1.00 53.12 H new ATOM 0 HE1 MET A 70 7.618 -9.196 -9.710 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.264 -9.212 -8.555 1.00 74.02 H new ATOM 0 HE3 MET A 70 6.541 -7.784 -9.581 1.00 74.02 H new ATOM 1092 N LEU A 71 7.936 -2.204 -6.985 1.00 4.41 N ATOM 1093 CA LEU A 71 7.161 -1.008 -6.674 1.00 52.32 C ATOM 1094 C LEU A 71 7.228 -0.004 -7.820 1.00 50.24 C ATOM 1095 O LEU A 71 6.268 0.720 -8.081 1.00 51.41 O ATOM 1096 CB LEU A 71 7.674 -0.364 -5.385 1.00 73.33 C ATOM 1097 CG LEU A 71 7.847 -1.301 -4.190 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.942 -0.790 -3.265 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.535 -1.450 -3.434 1.00 30.51 C ATOM 0 H LEU A 71 8.694 -2.397 -6.330 1.00 4.41 H new ATOM 0 HA LEU A 71 6.121 -1.304 -6.535 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.635 0.106 -5.595 1.00 73.33 H new ATOM 0 HB3 LEU A 71 6.985 0.432 -5.101 1.00 73.33 H new ATOM 0 HG LEU A 71 8.142 -2.282 -4.562 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.051 -1.470 -2.420 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.884 -0.736 -3.811 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.677 0.202 -2.900 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.677 -2.121 -2.587 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.210 -0.474 -3.074 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.776 -1.862 -4.099 1.00 30.51 H new ATOM 1111 N ALA A 72 8.368 0.033 -8.502 1.00 72.12 N ATOM 1112 CA ALA A 72 8.559 0.945 -9.623 1.00 10.33 C ATOM 1113 C ALA A 72 7.591 0.630 -10.758 1.00 3.31 C ATOM 1114 O ALA A 72 6.849 1.500 -11.214 1.00 20.22 O ATOM 1115 CB ALA A 72 9.996 0.880 -10.118 1.00 1.25 C ATOM 0 H ALA A 72 9.174 -0.558 -8.298 1.00 72.12 H new ATOM 0 HA ALA A 72 8.352 1.957 -9.275 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.124 1.566 -10.955 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.672 1.162 -9.311 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.223 -0.135 -10.443 1.00 1.25 H new ATOM 1121 N ILE A 73 7.606 -0.620 -11.212 1.00 10.35 N ATOM 1122 CA ILE A 73 6.729 -1.049 -12.294 1.00 70.44 C ATOM 1123 C ILE A 73 5.271 -1.065 -11.847 1.00 3.41 C ATOM 1124 O ILE A 73 4.437 -0.340 -12.389 1.00 51.33 O ATOM 1125 CB ILE A 73 7.112 -2.449 -12.807 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.628 -2.551 -12.991 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.394 -2.749 -14.114 1.00 52.42 C ATOM 1128 CD1 ILE A 73 9.079 -3.875 -13.567 1.00 20.44 C ATOM 0 H ILE A 73 8.216 -1.352 -10.847 1.00 10.35 H new ATOM 0 HA ILE A 73 6.850 -0.329 -13.103 1.00 70.44 H new ATOM 0 HB ILE A 73 6.803 -3.188 -12.067 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.961 -1.746 -13.647 1.00 5.34 H new ATOM 0 HG13 ILE A 73 9.114 -2.399 -12.027 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.675 -3.742 -14.464 1.00 52.42 H new ATOM 0 HG22 ILE A 73 5.316 -2.712 -13.954 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.675 -2.008 -14.862 1.00 52.42 H new ATOM 0 HD11 ILE A 73 10.164 -3.876 -13.670 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.777 -4.683 -12.901 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.622 -4.021 -14.546 1.00 20.44 H new ATOM 1140 N SER A 74 4.972 -1.896 -10.853 1.00 34.22 N ATOM 1141 CA SER A 74 3.613 -2.009 -10.335 1.00 34.44 C ATOM 1142 C SER A 74 3.090 -0.649 -9.882 1.00 12.00 C ATOM 1143 O SER A 74 1.882 -0.418 -9.843 1.00 4.54 O ATOM 1144 CB SER A 74 3.571 -2.997 -9.167 1.00 32.15 C ATOM 1145 OG SER A 74 2.429 -2.782 -8.357 1.00 43.53 O ATOM 0 H SER A 74 5.652 -2.500 -10.391 1.00 34.22 H new ATOM 0 HA SER A 74 2.974 -2.377 -11.138 1.00 34.44 H new ATOM 0 HB2 SER A 74 3.562 -4.017 -9.550 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.473 -2.891 -8.564 1.00 32.15 H new ATOM 0 HG SER A 74 1.737 -3.437 -8.587 1.00 43.53 H new ATOM 1151 N GLY A 75 4.009 0.250 -9.543 1.00 30.23 N ATOM 1152 CA GLY A 75 3.622 1.575 -9.098 1.00 71.54 C ATOM 1153 C GLY A 75 3.268 2.493 -10.252 1.00 52.41 C ATOM 1154 O GLY A 75 2.964 3.669 -10.050 1.00 72.55 O ATOM 0 H GLY A 75 5.015 0.084 -9.569 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.767 1.494 -8.426 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.438 2.015 -8.524 1.00 71.54 H new ATOM 1158 N LYS A 76 3.309 1.957 -11.467 1.00 72.22 N ATOM 1159 CA LYS A 76 2.990 2.734 -12.658 1.00 63.32 C ATOM 1160 C LYS A 76 4.017 3.840 -12.877 1.00 4.25 C ATOM 1161 O LYS A 76 3.810 4.743 -13.689 1.00 51.51 O ATOM 1162 CB LYS A 76 1.590 3.340 -12.537 1.00 43.21 C ATOM 1163 CG LYS A 76 0.620 2.477 -11.750 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.819 2.731 -12.169 1.00 41.34 C ATOM 1165 CE LYS A 76 -1.734 2.873 -10.962 1.00 40.22 C ATOM 1166 NZ LYS A 76 -3.044 3.478 -11.328 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.560 0.986 -11.653 1.00 72.22 H new ATOM 0 HA LYS A 76 3.016 2.063 -13.517 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.666 4.316 -12.058 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.187 3.506 -13.536 1.00 43.21 H new ATOM 0 HG2 LYS A 76 0.863 1.425 -11.900 1.00 10.13 H new ATOM 0 HG3 LYS A 76 0.731 2.681 -10.685 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.869 3.637 -12.773 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -1.167 1.910 -12.796 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -1.899 1.893 -10.514 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -1.247 3.491 -10.207 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -3.639 3.558 -10.479 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -2.889 4.424 -11.732 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -3.521 2.876 -12.029 1.00 53.25 H new ATOM 1180 N THR A 77 5.126 3.765 -12.148 1.00 13.43 N ATOM 1181 CA THR A 77 6.186 4.759 -12.263 1.00 43.43 C ATOM 1182 C THR A 77 7.214 4.349 -13.310 1.00 63.21 C ATOM 1183 O THR A 77 7.743 5.189 -14.039 1.00 21.54 O ATOM 1184 CB THR A 77 6.901 4.976 -10.916 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.754 3.863 -10.629 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.892 5.151 -9.789 1.00 61.23 C ATOM 0 H THR A 77 5.314 3.025 -11.471 1.00 13.43 H new ATOM 0 HA THR A 77 5.712 5.692 -12.569 1.00 43.43 H new ATOM 0 HB THR A 77 7.500 5.883 -10.991 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.276 3.028 -10.816 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.420 5.303 -8.848 1.00 61.23 H new ATOM 0 HG22 THR A 77 5.263 6.017 -9.995 1.00 61.23 H new ATOM 0 HG23 THR A 77 5.270 4.259 -9.716 1.00 61.23 H new ATOM 1194 N LEU A 78 7.493 3.052 -13.383 1.00 61.23 N ATOM 1195 CA LEU A 78 8.458 2.529 -14.343 1.00 64.41 C ATOM 1196 C LEU A 78 7.813 1.490 -15.254 1.00 4.21 C ATOM 1197 O LEU A 78 6.692 1.043 -15.008 1.00 64.35 O ATOM 1198 CB LEU A 78 9.652 1.912 -13.612 1.00 40.00 C ATOM 1199 CG LEU A 78 10.943 1.785 -14.422 1.00 14.14 C ATOM 1200 CD1 LEU A 78 12.109 2.407 -13.670 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.230 0.326 -14.743 1.00 52.03 C ATOM 0 H LEU A 78 7.064 2.343 -12.788 1.00 61.23 H new ATOM 0 HA LEU A 78 8.806 3.359 -14.959 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.860 2.513 -12.726 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.366 0.919 -13.264 1.00 40.00 H new ATOM 0 HG LEU A 78 10.814 2.324 -15.361 1.00 14.14 H new ATOM 0 HD11 LEU A 78 13.019 2.307 -14.262 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.906 3.463 -13.493 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.240 1.897 -12.715 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.152 0.255 -15.320 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.338 -0.236 -13.815 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.406 -0.088 -15.324 1.00 52.03 H new ATOM 1213 N THR A 79 8.529 1.106 -16.306 1.00 53.44 N ATOM 1214 CA THR A 79 8.026 0.118 -17.253 1.00 2.24 C ATOM 1215 C THR A 79 8.917 -1.118 -17.282 1.00 31.21 C ATOM 1216 O THR A 79 10.126 -1.030 -17.064 1.00 53.42 O ATOM 1217 CB THR A 79 7.931 0.701 -18.676 1.00 73.11 C ATOM 1218 OG1 THR A 79 9.181 1.295 -19.046 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.825 1.742 -18.761 1.00 71.32 C ATOM 0 H THR A 79 9.459 1.464 -16.524 1.00 53.44 H new ATOM 0 HA THR A 79 7.028 -0.164 -16.916 1.00 2.24 H new ATOM 0 HB THR A 79 7.697 -0.112 -19.364 1.00 73.11 H new ATOM 0 HG1 THR A 79 9.113 1.662 -19.952 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.777 2.140 -19.775 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.871 1.281 -18.506 1.00 71.32 H new ATOM 0 HG23 THR A 79 7.034 2.553 -18.063 1.00 71.32 H new ATOM 1227 N VAL A 80 8.313 -2.271 -17.552 1.00 5.33 N ATOM 1228 CA VAL A 80 9.052 -3.526 -17.611 1.00 10.20 C ATOM 1229 C VAL A 80 10.264 -3.408 -18.530 1.00 63.11 C ATOM 1230 O VAL A 80 11.351 -3.882 -18.205 1.00 72.02 O ATOM 1231 CB VAL A 80 8.160 -4.681 -18.103 1.00 1.42 C ATOM 1232 CG1 VAL A 80 8.960 -5.971 -18.199 1.00 32.31 C ATOM 1233 CG2 VAL A 80 6.961 -4.856 -17.183 1.00 54.23 C ATOM 0 H VAL A 80 7.313 -2.362 -17.733 1.00 5.33 H new ATOM 0 HA VAL A 80 9.388 -3.743 -16.597 1.00 10.20 H new ATOM 0 HB VAL A 80 7.793 -4.434 -19.099 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.313 -6.775 -18.548 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.783 -5.837 -18.901 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.358 -6.226 -17.217 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.341 -5.676 -17.545 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.306 -5.080 -16.174 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.375 -3.937 -17.170 1.00 54.23 H new ATOM 1243 N GLY A 81 10.067 -2.771 -19.681 1.00 1.42 N ATOM 1244 CA GLY A 81 11.152 -2.601 -20.629 1.00 4.53 C ATOM 1245 C GLY A 81 12.333 -1.862 -20.032 1.00 72.43 C ATOM 1246 O GLY A 81 13.482 -2.264 -20.217 1.00 54.32 O ATOM 0 H GLY A 81 9.176 -2.370 -19.973 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.480 -3.579 -20.981 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.788 -2.055 -21.499 1.00 4.53 H new ATOM 1250 N ASP A 82 12.052 -0.780 -19.317 1.00 14.13 N ATOM 1251 CA ASP A 82 13.100 0.018 -18.691 1.00 21.43 C ATOM 1252 C ASP A 82 13.906 -0.822 -17.706 1.00 23.42 C ATOM 1253 O ASP A 82 15.133 -0.888 -17.789 1.00 72.21 O ATOM 1254 CB ASP A 82 12.494 1.225 -17.975 1.00 22.14 C ATOM 1255 CG ASP A 82 12.770 2.528 -18.700 1.00 13.02 C ATOM 1256 OD1 ASP A 82 12.808 2.515 -19.949 1.00 14.15 O ATOM 1257 OD2 ASP A 82 12.945 3.559 -18.020 1.00 41.32 O1- ATOM 0 H ASP A 82 11.106 -0.434 -19.156 1.00 14.13 H new ATOM 0 HA ASP A 82 13.771 0.371 -19.474 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.417 1.085 -17.882 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.896 1.283 -16.964 1.00 22.14 H new ATOM 1262 N ALA A 83 13.210 -1.461 -16.771 1.00 45.42 N ATOM 1263 CA ALA A 83 13.861 -2.296 -15.771 1.00 21.54 C ATOM 1264 C ALA A 83 14.606 -3.455 -16.423 1.00 74.42 C ATOM 1265 O ALA A 83 15.663 -3.873 -15.948 1.00 71.11 O ATOM 1266 CB ALA A 83 12.837 -2.819 -14.773 1.00 12.34 C ATOM 0 H ALA A 83 12.195 -1.416 -16.686 1.00 45.42 H new ATOM 0 HA ALA A 83 14.590 -1.683 -15.241 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.337 -3.442 -14.031 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.353 -1.979 -14.275 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.087 -3.411 -15.298 1.00 12.34 H new ATOM 1272 N LEU A 84 14.049 -3.971 -17.513 1.00 41.30 N ATOM 1273 CA LEU A 84 14.662 -5.083 -18.232 1.00 72.41 C ATOM 1274 C LEU A 84 16.116 -4.775 -18.576 1.00 23.24 C ATOM 1275 O LEU A 84 17.016 -5.563 -18.281 1.00 61.34 O ATOM 1276 CB LEU A 84 13.877 -5.385 -19.510 1.00 54.12 C ATOM 1277 CG LEU A 84 13.377 -6.821 -19.666 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.544 -7.775 -19.862 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.546 -7.231 -18.458 1.00 24.15 C ATOM 0 H LEU A 84 13.174 -3.638 -17.918 1.00 41.30 H new ATOM 0 HA LEU A 84 14.639 -5.959 -17.583 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.018 -4.716 -19.552 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.509 -5.146 -20.366 1.00 54.12 H new ATOM 0 HG LEU A 84 12.743 -6.870 -20.551 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.168 -8.792 -19.971 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.097 -7.494 -20.759 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.205 -7.723 -18.997 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.198 -8.256 -18.586 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.156 -7.165 -17.557 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.688 -6.566 -18.364 1.00 24.15 H new ATOM 1291 N LYS A 85 16.340 -3.623 -19.199 1.00 13.23 N ATOM 1292 CA LYS A 85 17.684 -3.207 -19.580 1.00 53.44 C ATOM 1293 C LYS A 85 18.585 -3.088 -18.354 1.00 73.11 C ATOM 1294 O LYS A 85 19.710 -3.585 -18.350 1.00 1.12 O ATOM 1295 CB LYS A 85 17.636 -1.870 -20.322 1.00 25.42 C ATOM 1296 CG LYS A 85 18.144 -1.949 -21.752 1.00 52.24 C ATOM 1297 CD LYS A 85 19.636 -1.672 -21.830 1.00 12.13 C ATOM 1298 CE LYS A 85 19.926 -0.179 -21.826 1.00 30.01 C ATOM 1299 NZ LYS A 85 21.371 0.107 -22.044 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.607 -2.960 -19.451 1.00 13.23 H new ATOM 0 HA LYS A 85 18.098 -3.968 -20.242 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.609 -1.505 -20.330 1.00 25.42 H new ATOM 0 HB3 LYS A 85 18.230 -1.138 -19.774 1.00 25.42 H new ATOM 0 HG2 LYS A 85 17.935 -2.938 -22.159 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.607 -1.230 -22.370 1.00 52.24 H new ATOM 0 HD2 LYS A 85 20.139 -2.144 -20.986 1.00 12.13 H new ATOM 0 HD3 LYS A 85 20.044 -2.121 -22.736 1.00 12.13 H new ATOM 0 HE2 LYS A 85 19.338 0.307 -22.605 1.00 30.01 H new ATOM 0 HE3 LYS A 85 19.611 0.249 -20.875 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 21.527 1.135 -22.034 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 21.930 -0.335 -21.287 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 21.666 -0.279 -22.963 1.00 0.02 H new ATOM 1313 N GLN A 86 18.081 -2.425 -17.318 1.00 11.43 N ATOM 1314 CA GLN A 86 18.840 -2.242 -16.087 1.00 53.23 C ATOM 1315 C GLN A 86 19.146 -3.584 -15.431 1.00 21.22 C ATOM 1316 O GLN A 86 20.042 -3.688 -14.594 1.00 41.42 O ATOM 1317 CB GLN A 86 18.068 -1.349 -15.115 1.00 12.42 C ATOM 1318 CG GLN A 86 17.594 -0.044 -15.733 1.00 73.05 C ATOM 1319 CD GLN A 86 17.466 1.072 -14.715 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.439 1.761 -14.406 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.262 1.258 -14.186 1.00 61.43 N ATOM 0 H GLN A 86 17.151 -2.006 -17.307 1.00 11.43 H new ATOM 0 HA GLN A 86 19.784 -1.759 -16.340 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.205 -1.898 -14.738 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.703 -1.126 -14.257 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.293 0.259 -16.513 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.629 -0.204 -16.214 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.483 0.664 -14.470 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.117 1.995 -13.496 1.00 61.43 H new ATOM 1330 N GLY A 87 18.393 -4.611 -15.816 1.00 0.43 N ATOM 1331 CA GLY A 87 18.598 -5.932 -15.253 1.00 2.32 C ATOM 1332 C GLY A 87 17.943 -6.093 -13.896 1.00 44.42 C ATOM 1333 O GLY A 87 18.495 -6.738 -13.004 1.00 32.22 O ATOM 0 H GLY A 87 17.645 -4.551 -16.507 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.198 -6.681 -15.937 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.667 -6.122 -15.162 1.00 2.32 H new ATOM 1337 N LYS A 88 16.763 -5.505 -13.737 1.00 21.33 N ATOM 1338 CA LYS A 88 16.031 -5.585 -12.478 1.00 11.34 C ATOM 1339 C LYS A 88 15.362 -6.947 -12.323 1.00 1.12 C ATOM 1340 O LYS A 88 15.240 -7.466 -11.214 1.00 61.44 O ATOM 1341 CB LYS A 88 14.979 -4.476 -12.405 1.00 75.34 C ATOM 1342 CG LYS A 88 15.543 -3.086 -12.640 1.00 24.51 C ATOM 1343 CD LYS A 88 16.114 -2.493 -11.363 1.00 73.13 C ATOM 1344 CE LYS A 88 17.579 -2.862 -11.184 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.368 -1.737 -10.610 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.292 -4.967 -14.465 1.00 21.33 H new ATOM 0 HA LYS A 88 16.743 -5.456 -11.663 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.203 -4.674 -13.144 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.501 -4.504 -11.426 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.322 -3.132 -13.401 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.759 -2.435 -13.026 1.00 24.51 H new ATOM 0 HD2 LYS A 88 16.011 -1.408 -11.387 1.00 73.13 H new ATOM 0 HD3 LYS A 88 15.541 -2.849 -10.507 1.00 73.13 H new ATOM 0 HE2 LYS A 88 17.657 -3.731 -10.531 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.002 -3.148 -12.147 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.361 -2.028 -10.503 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 18.314 -0.916 -11.246 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 17.981 -1.481 -9.679 1.00 30.44 H new ATOM 1359 N ILE A 89 14.932 -7.520 -13.443 1.00 4.34 N ATOM 1360 CA ILE A 89 14.277 -8.823 -13.430 1.00 61.10 C ATOM 1361 C ILE A 89 15.245 -9.927 -13.840 1.00 40.34 C ATOM 1362 O ILE A 89 15.842 -9.876 -14.915 1.00 73.31 O ATOM 1363 CB ILE A 89 13.059 -8.849 -14.371 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.190 -7.607 -14.152 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.246 -10.116 -14.149 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.575 -7.067 -15.424 1.00 63.11 C ATOM 0 H ILE A 89 15.025 -7.103 -14.369 1.00 4.34 H new ATOM 0 HA ILE A 89 13.940 -8.998 -12.408 1.00 61.10 H new ATOM 0 HB ILE A 89 13.414 -8.844 -15.401 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.394 -7.850 -13.448 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.796 -6.827 -13.691 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.388 -10.120 -14.821 1.00 22.12 H new ATOM 0 HG22 ILE A 89 12.869 -10.988 -14.350 1.00 22.12 H new ATOM 0 HG23 ILE A 89 11.898 -10.149 -13.117 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.973 -6.188 -15.193 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.366 -6.792 -16.122 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.942 -7.831 -15.875 1.00 63.11 H new ATOM 1378 N GLU A 90 15.394 -10.927 -12.976 1.00 44.31 N ATOM 1379 CA GLU A 90 16.289 -12.045 -13.250 1.00 3.44 C ATOM 1380 C GLU A 90 15.537 -13.192 -13.919 1.00 63.21 C ATOM 1381 O GLU A 90 14.359 -13.423 -13.642 1.00 12.42 O ATOM 1382 CB GLU A 90 16.940 -12.535 -11.953 1.00 21.54 C ATOM 1383 CG GLU A 90 18.436 -12.278 -11.889 1.00 21.32 C ATOM 1384 CD GLU A 90 19.229 -13.526 -11.555 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.125 -14.514 -12.313 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.952 -13.516 -10.538 1.00 73.11 O1- ATOM 0 H GLU A 90 14.907 -10.985 -12.082 1.00 44.31 H new ATOM 0 HA GLU A 90 17.067 -11.697 -13.930 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.459 -12.044 -11.107 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.759 -13.605 -11.847 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.774 -11.883 -12.847 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.638 -11.513 -11.139 1.00 21.32 H new ATOM 1393 N LEU A 91 16.226 -13.908 -14.801 1.00 41.35 N ATOM 1394 CA LEU A 91 15.626 -15.031 -15.511 1.00 12.31 C ATOM 1395 C LEU A 91 16.415 -16.313 -15.271 1.00 71.23 C ATOM 1396 O LEU A 91 17.613 -16.378 -15.549 1.00 24.34 O ATOM 1397 CB LEU A 91 15.557 -14.734 -17.010 1.00 34.35 C ATOM 1398 CG LEU A 91 15.097 -13.328 -17.396 1.00 43.14 C ATOM 1399 CD1 LEU A 91 15.132 -13.150 -18.907 1.00 21.14 C ATOM 1400 CD2 LEU A 91 13.700 -13.057 -16.858 1.00 15.23 C ATOM 0 H LEU A 91 17.201 -13.730 -15.041 1.00 41.35 H new ATOM 0 HA LEU A 91 14.615 -15.172 -15.128 1.00 12.31 H new ATOM 0 HB2 LEU A 91 16.545 -14.902 -17.439 1.00 34.35 H new ATOM 0 HB3 LEU A 91 14.882 -15.455 -17.472 1.00 34.35 H new ATOM 0 HG LEU A 91 15.783 -12.608 -16.950 1.00 43.14 H new ATOM 0 HD11 LEU A 91 14.801 -12.143 -19.163 1.00 21.14 H new ATOM 0 HD12 LEU A 91 16.150 -13.300 -19.268 1.00 21.14 H new ATOM 0 HD13 LEU A 91 14.470 -13.879 -19.375 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.389 -12.052 -17.142 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.002 -13.784 -17.274 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.706 -13.141 -15.771 1.00 15.23 H new ATOM 1412 N SER A 92 15.737 -17.332 -14.754 1.00 62.30 N ATOM 1413 CA SER A 92 16.375 -18.613 -14.474 1.00 12.01 C ATOM 1414 C SER A 92 15.624 -19.754 -15.153 1.00 53.43 C ATOM 1415 O SER A 92 14.502 -20.086 -14.774 1.00 42.11 O ATOM 1416 CB SER A 92 16.439 -18.856 -12.965 1.00 32.04 C ATOM 1417 OG SER A 92 15.897 -17.760 -12.249 1.00 24.24 O ATOM 0 H SER A 92 14.745 -17.296 -14.520 1.00 62.30 H new ATOM 0 HA SER A 92 17.389 -18.581 -14.873 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.890 -19.764 -12.716 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.474 -19.016 -12.663 1.00 32.04 H new ATOM 0 HG SER A 92 14.953 -17.649 -12.486 1.00 24.24 H new ATOM 1423 N GLY A 93 16.254 -20.352 -16.161 1.00 72.14 N ATOM 1424 CA GLY A 93 15.631 -21.449 -16.878 1.00 41.14 C ATOM 1425 C GLY A 93 15.417 -21.136 -18.345 1.00 52.41 C ATOM 1426 O GLY A 93 16.222 -21.521 -19.193 1.00 72.03 O ATOM 0 H GLY A 93 17.184 -20.096 -16.493 1.00 72.14 H new ATOM 0 HA2 GLY A 93 16.254 -22.339 -16.787 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.672 -21.683 -16.416 1.00 41.14 H new ATOM 1430 N ASP A 94 14.327 -20.437 -18.647 1.00 50.01 N ATOM 1431 CA ASP A 94 14.009 -20.073 -20.022 1.00 42.00 C ATOM 1432 C ASP A 94 13.596 -18.608 -20.114 1.00 61.22 C ATOM 1433 O ASP A 94 12.450 -18.257 -19.837 1.00 24.31 O ATOM 1434 CB ASP A 94 12.891 -20.966 -20.563 1.00 44.20 C ATOM 1435 CG ASP A 94 13.260 -21.620 -21.881 1.00 62.13 C ATOM 1436 OD1 ASP A 94 13.839 -20.928 -22.745 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.969 -22.823 -22.047 1.00 42.01 O1- ATOM 0 H ASP A 94 13.650 -20.112 -17.957 1.00 50.01 H new ATOM 0 HA ASP A 94 14.904 -20.218 -20.627 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.660 -21.738 -19.830 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.987 -20.372 -20.696 1.00 44.20 H new ATOM 1442 N ALA A 95 14.539 -17.756 -20.506 1.00 52.22 N ATOM 1443 CA ALA A 95 14.272 -16.329 -20.635 1.00 61.03 C ATOM 1444 C ALA A 95 13.095 -16.073 -21.571 1.00 63.24 C ATOM 1445 O ALA A 95 12.390 -15.073 -21.438 1.00 24.01 O ATOM 1446 CB ALA A 95 15.513 -15.603 -21.134 1.00 22.22 C ATOM 0 H ALA A 95 15.493 -18.030 -20.739 1.00 52.22 H new ATOM 0 HA ALA A 95 14.010 -15.943 -19.650 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.299 -14.538 -21.226 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.329 -15.750 -20.427 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.800 -16.001 -22.107 1.00 22.22 H new ATOM 1452 N ASP A 96 12.890 -16.982 -22.518 1.00 31.21 N ATOM 1453 CA ASP A 96 11.799 -16.854 -23.476 1.00 63.04 C ATOM 1454 C ASP A 96 10.447 -16.925 -22.773 1.00 71.11 C ATOM 1455 O ASP A 96 9.584 -16.069 -22.977 1.00 42.54 O ATOM 1456 CB ASP A 96 11.893 -17.951 -24.538 1.00 13.52 C ATOM 1457 CG ASP A 96 11.069 -17.636 -25.771 1.00 14.13 C ATOM 1458 OD1 ASP A 96 11.644 -17.612 -26.879 1.00 42.02 O ATOM 1459 OD2 ASP A 96 9.848 -17.414 -25.628 1.00 51.14 O1- ATOM 0 H ASP A 96 13.465 -17.815 -22.642 1.00 31.21 H new ATOM 0 HA ASP A 96 11.886 -15.881 -23.960 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.936 -18.085 -24.826 1.00 13.52 H new ATOM 0 HB3 ASP A 96 11.556 -18.896 -24.111 1.00 13.52 H new ATOM 1464 N LEU A 97 10.269 -17.948 -21.945 1.00 21.24 N ATOM 1465 CA LEU A 97 9.022 -18.131 -21.211 1.00 53.03 C ATOM 1466 C LEU A 97 8.690 -16.894 -20.383 1.00 34.03 C ATOM 1467 O LEU A 97 7.565 -16.398 -20.413 1.00 22.40 O ATOM 1468 CB LEU A 97 9.117 -19.357 -20.301 1.00 23.04 C ATOM 1469 CG LEU A 97 8.174 -20.514 -20.634 1.00 32.22 C ATOM 1470 CD1 LEU A 97 8.349 -21.649 -19.636 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.729 -20.036 -20.652 1.00 13.34 C ATOM 0 H LEU A 97 10.973 -18.664 -21.765 1.00 21.24 H new ATOM 0 HA LEU A 97 8.223 -18.285 -21.936 1.00 53.03 H new ATOM 0 HB2 LEU A 97 10.141 -19.729 -20.331 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.923 -19.040 -19.276 1.00 23.04 H new ATOM 0 HG LEU A 97 8.425 -20.888 -21.627 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.670 -22.463 -19.889 1.00 33.50 H new ATOM 0 HD12 LEU A 97 9.377 -22.009 -19.671 1.00 33.50 H new ATOM 0 HD13 LEU A 97 8.125 -21.288 -18.632 1.00 33.50 H new ATOM 0 HD21 LEU A 97 6.072 -20.872 -20.891 1.00 13.34 H new ATOM 0 HD22 LEU A 97 6.466 -19.636 -19.673 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.613 -19.257 -21.405 1.00 13.34 H new ATOM 1483 N ALA A 98 9.679 -16.399 -19.646 1.00 51.02 N ATOM 1484 CA ALA A 98 9.495 -15.217 -18.813 1.00 72.21 C ATOM 1485 C ALA A 98 9.353 -13.961 -19.666 1.00 74.34 C ATOM 1486 O ALA A 98 8.697 -12.999 -19.267 1.00 70.15 O ATOM 1487 CB ALA A 98 10.656 -15.069 -17.842 1.00 43.44 C ATOM 0 H ALA A 98 10.617 -16.799 -19.609 1.00 51.02 H new ATOM 0 HA ALA A 98 8.574 -15.344 -18.244 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.505 -14.182 -17.227 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.710 -15.950 -17.202 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.587 -14.969 -18.400 1.00 43.44 H new ATOM 1493 N ALA A 99 9.971 -13.977 -20.843 1.00 41.25 N ATOM 1494 CA ALA A 99 9.911 -12.840 -21.753 1.00 41.24 C ATOM 1495 C ALA A 99 8.485 -12.593 -22.231 1.00 64.45 C ATOM 1496 O ALA A 99 8.018 -11.454 -22.268 1.00 63.22 O ATOM 1497 CB ALA A 99 10.836 -13.064 -22.939 1.00 14.33 C ATOM 0 H ALA A 99 10.519 -14.765 -21.188 1.00 41.25 H new ATOM 0 HA ALA A 99 10.242 -11.955 -21.210 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.781 -12.207 -23.610 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.860 -13.182 -22.585 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.531 -13.964 -23.473 1.00 14.33 H new ATOM 1503 N LYS A 100 7.794 -13.668 -22.598 1.00 1.23 N ATOM 1504 CA LYS A 100 6.420 -13.569 -23.074 1.00 72.44 C ATOM 1505 C LYS A 100 5.538 -12.863 -22.048 1.00 13.34 C ATOM 1506 O LYS A 100 4.609 -12.139 -22.408 1.00 61.21 O ATOM 1507 CB LYS A 100 5.860 -14.963 -23.370 1.00 31.43 C ATOM 1508 CG LYS A 100 4.546 -14.941 -24.132 1.00 4.53 C ATOM 1509 CD LYS A 100 4.768 -14.726 -25.619 1.00 22.41 C ATOM 1510 CE LYS A 100 4.766 -16.044 -26.379 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.759 -16.050 -27.476 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.164 -14.618 -22.575 1.00 1.23 H new ATOM 0 HA LYS A 100 6.421 -12.981 -23.992 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.595 -15.526 -23.946 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.716 -15.495 -22.430 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.017 -15.881 -23.974 1.00 4.53 H new ATOM 0 HG3 LYS A 100 3.910 -14.148 -23.740 1.00 4.53 H new ATOM 0 HD2 LYS A 100 3.988 -14.076 -26.014 1.00 22.41 H new ATOM 0 HD3 LYS A 100 5.718 -14.216 -25.776 1.00 22.41 H new ATOM 0 HE2 LYS A 100 5.757 -16.225 -26.795 1.00 35.11 H new ATOM 0 HE3 LYS A 100 4.556 -16.861 -25.689 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 3.789 -16.965 -27.970 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 2.810 -15.903 -27.077 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.974 -15.287 -28.149 1.00 40.13 H new ATOM 1525 N LEU A 101 5.836 -13.077 -20.772 1.00 12.30 N ATOM 1526 CA LEU A 101 5.070 -12.460 -19.693 1.00 3.23 C ATOM 1527 C LEU A 101 5.048 -10.942 -19.843 1.00 62.45 C ATOM 1528 O LEU A 101 3.981 -10.329 -19.886 1.00 14.21 O ATOM 1529 CB LEU A 101 5.665 -12.841 -18.337 1.00 62.20 C ATOM 1530 CG LEU A 101 4.772 -13.684 -17.426 1.00 45.40 C ATOM 1531 CD1 LEU A 101 5.435 -13.895 -16.073 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.410 -13.025 -17.256 1.00 34.24 C ATOM 0 H LEU A 101 6.602 -13.673 -20.458 1.00 12.30 H new ATOM 0 HA LEU A 101 4.046 -12.828 -19.749 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.592 -13.387 -18.510 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.928 -11.925 -17.808 1.00 62.20 H new ATOM 0 HG LEU A 101 4.628 -14.658 -17.893 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.784 -14.497 -15.439 1.00 50.44 H new ATOM 0 HD12 LEU A 101 6.386 -14.410 -16.210 1.00 50.44 H new ATOM 0 HD13 LEU A 101 5.611 -12.929 -15.599 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.788 -13.639 -16.605 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.536 -12.038 -16.812 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.930 -12.926 -18.229 1.00 34.24 H new ATOM 1544 N ALA A 102 6.230 -10.343 -19.924 1.00 31.42 N ATOM 1545 CA ALA A 102 6.346 -8.898 -20.072 1.00 1.32 C ATOM 1546 C ALA A 102 5.463 -8.391 -21.208 1.00 62.44 C ATOM 1547 O ALA A 102 4.984 -7.257 -21.175 1.00 20.35 O ATOM 1548 CB ALA A 102 7.795 -8.505 -20.313 1.00 64.24 C ATOM 0 H ALA A 102 7.122 -10.836 -19.890 1.00 31.42 H new ATOM 0 HA ALA A 102 6.006 -8.435 -19.146 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.865 -7.423 -20.422 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.404 -8.825 -19.468 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.156 -8.985 -21.223 1.00 64.24 H new ATOM 1554 N GLU A 103 5.253 -9.237 -22.211 1.00 45.13 N ATOM 1555 CA GLU A 103 4.429 -8.872 -23.358 1.00 0.13 C ATOM 1556 C GLU A 103 3.013 -8.511 -22.918 1.00 54.13 C ATOM 1557 O GLU A 103 2.527 -7.414 -23.193 1.00 43.44 O ATOM 1558 CB GLU A 103 4.383 -10.022 -24.367 1.00 65.34 C ATOM 1559 CG GLU A 103 4.106 -9.571 -25.791 1.00 71.40 C ATOM 1560 CD GLU A 103 2.646 -9.233 -26.022 1.00 43.23 C ATOM 1561 OE1 GLU A 103 2.364 -8.102 -26.472 1.00 35.33 O ATOM 1562 OE2 GLU A 103 1.787 -10.098 -25.754 1.00 44.42 O1- ATOM 0 H GLU A 103 5.641 -10.179 -22.253 1.00 45.13 H new ATOM 0 HA GLU A 103 4.878 -7.999 -23.832 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.334 -10.555 -24.342 1.00 65.34 H new ATOM 0 HB3 GLU A 103 3.613 -10.731 -24.063 1.00 65.34 H new ATOM 0 HG2 GLU A 103 4.717 -8.697 -26.017 1.00 71.40 H new ATOM 0 HG3 GLU A 103 4.407 -10.358 -26.482 1.00 71.40 H new ATOM 1569 N VAL A 104 2.358 -9.440 -22.230 1.00 33.41 N ATOM 1570 CA VAL A 104 0.998 -9.220 -21.751 1.00 23.33 C ATOM 1571 C VAL A 104 0.935 -8.022 -20.811 1.00 20.50 C ATOM 1572 O VAL A 104 -0.133 -7.449 -20.589 1.00 4.15 O ATOM 1573 CB VAL A 104 0.454 -10.461 -21.019 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.962 -10.503 -19.586 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -1.068 -10.475 -21.055 1.00 43.11 C ATOM 0 H VAL A 104 2.747 -10.352 -21.992 1.00 33.41 H new ATOM 0 HA VAL A 104 0.381 -9.024 -22.628 1.00 23.33 H new ATOM 0 HB VAL A 104 0.816 -11.352 -21.532 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.567 -11.387 -19.086 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.051 -10.543 -19.587 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.633 -9.609 -19.057 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.436 -11.358 -20.533 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.452 -9.579 -20.567 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.407 -10.497 -22.091 1.00 43.11 H new ATOM 1585 N ILE A 105 2.085 -7.646 -20.262 1.00 64.50 N ATOM 1586 CA ILE A 105 2.160 -6.513 -19.347 1.00 64.45 C ATOM 1587 C ILE A 105 2.170 -5.192 -20.107 1.00 25.40 C ATOM 1588 O ILE A 105 1.605 -4.197 -19.653 1.00 74.01 O ATOM 1589 CB ILE A 105 3.415 -6.590 -18.458 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.413 -7.887 -17.646 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.486 -5.381 -17.536 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.716 -8.150 -16.923 1.00 20.20 C ATOM 0 H ILE A 105 2.977 -8.109 -20.435 1.00 64.50 H new ATOM 0 HA ILE A 105 1.273 -6.559 -18.715 1.00 64.45 H new ATOM 0 HB ILE A 105 4.297 -6.586 -19.099 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.604 -7.848 -16.917 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.202 -8.723 -18.313 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.378 -5.450 -16.914 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.529 -4.470 -18.133 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.601 -5.356 -16.900 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.642 -9.085 -16.368 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.527 -8.221 -17.648 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.919 -7.333 -16.231 1.00 20.20 H new ATOM 1604 N HIS A 106 2.814 -5.189 -21.271 1.00 4.44 N ATOM 1605 CA HIS A 106 2.895 -3.990 -22.097 1.00 52.41 C ATOM 1606 C HIS A 106 1.505 -3.527 -22.520 1.00 72.24 C ATOM 1607 O HIS A 106 0.495 -4.021 -22.019 1.00 4.11 O ATOM 1608 CB HIS A 106 3.756 -4.254 -23.332 1.00 33.32 C ATOM 1609 CG HIS A 106 4.841 -3.240 -23.535 1.00 62.22 C ATOM 1610 ND1 HIS A 106 6.090 -3.352 -22.963 1.00 53.42 N ATOM 1611 CD2 HIS A 106 4.857 -2.093 -24.252 1.00 33.43 C ATOM 1612 CE1 HIS A 106 6.829 -2.316 -23.319 1.00 21.21 C ATOM 1613 NE2 HIS A 106 6.104 -1.536 -24.102 1.00 23.34 N ATOM 0 H HIS A 106 3.287 -6.004 -21.663 1.00 4.44 H new ATOM 0 HA HIS A 106 3.356 -3.200 -21.504 1.00 52.41 H new ATOM 0 HB2 HIS A 106 4.206 -5.243 -23.246 1.00 33.32 H new ATOM 0 HB3 HIS A 106 3.116 -4.270 -24.214 1.00 33.32 H new ATOM 0 HD2 HIS A 106 4.041 -1.690 -24.834 1.00 33.43 H new ATOM 0 HE1 HIS A 106 7.851 -2.137 -23.021 1.00 21.21 H new ATOM 0 HE2 HIS A 106 6.419 -0.663 -24.526 1.00 23.34 H new ATOM 1621 N HIS A 107 1.461 -2.574 -23.445 1.00 10.53 N ATOM 1622 CA HIS A 107 0.193 -2.043 -23.937 1.00 31.12 C ATOM 1623 C HIS A 107 -0.708 -3.167 -24.437 1.00 63.22 C ATOM 1624 O HIS A 107 -0.522 -3.681 -25.541 1.00 44.22 O ATOM 1625 CB HIS A 107 0.439 -1.033 -25.057 1.00 2.41 C ATOM 1626 CG HIS A 107 -0.154 0.316 -24.789 1.00 35.31 C ATOM 1627 ND1 HIS A 107 -1.146 0.871 -25.569 1.00 74.24 N ATOM 1628 CD2 HIS A 107 0.109 1.222 -23.818 1.00 40.51 C ATOM 1629 CE1 HIS A 107 -1.467 2.060 -25.092 1.00 60.13 C ATOM 1630 NE2 HIS A 107 -0.719 2.296 -24.028 1.00 32.02 N ATOM 0 H HIS A 107 2.288 -2.153 -23.869 1.00 10.53 H new ATOM 0 HA HIS A 107 -0.308 -1.540 -23.110 1.00 31.12 H new ATOM 0 HB2 HIS A 107 1.513 -0.925 -25.208 1.00 2.41 H new ATOM 0 HB3 HIS A 107 0.024 -1.425 -25.986 1.00 2.41 H new ATOM 0 HD2 HIS A 107 0.835 1.119 -23.025 1.00 40.51 H new ATOM 0 HE1 HIS A 107 -2.213 2.725 -25.501 1.00 60.13 H new ATOM 0 HE2 HIS A 107 -0.752 3.140 -23.456 1.00 32.02 H new ATOM 1638 N HIS A 108 -1.686 -3.544 -23.619 1.00 45.32 N ATOM 1639 CA HIS A 108 -2.617 -4.608 -23.980 1.00 4.03 C ATOM 1640 C HIS A 108 -3.643 -4.830 -22.873 1.00 72.22 C ATOM 1641 O HIS A 108 -4.035 -5.962 -22.592 1.00 3.23 O ATOM 1642 CB HIS A 108 -1.859 -5.906 -24.255 1.00 41.24 C ATOM 1643 CG HIS A 108 -2.370 -6.658 -25.446 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -1.543 -7.187 -26.413 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -3.633 -6.968 -25.820 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -2.275 -7.789 -27.333 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -3.547 -7.671 -26.997 1.00 53.45 N ATOM 0 H HIS A 108 -1.854 -3.129 -22.703 1.00 45.32 H new ATOM 0 HA HIS A 108 -3.144 -4.305 -24.885 1.00 4.03 H new ATOM 0 HB2 HIS A 108 -0.804 -5.676 -24.406 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -1.923 -6.547 -23.376 1.00 41.24 H new ATOM 0 HD2 HIS A 108 -4.539 -6.711 -25.292 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -1.898 -8.292 -28.211 1.00 12.10 H new ATOM 0 HE2 HIS A 108 -4.337 -8.042 -27.525 1.00 53.45 H new ATOM 1655 N HIS A 109 -4.076 -3.739 -22.246 1.00 52.35 N ATOM 1656 CA HIS A 109 -5.057 -3.815 -21.169 1.00 11.14 C ATOM 1657 C HIS A 109 -6.299 -4.577 -21.619 1.00 61.53 C ATOM 1658 O HIS A 109 -6.605 -4.639 -22.811 1.00 23.40 O ATOM 1659 CB HIS A 109 -5.445 -2.411 -20.705 1.00 3.42 C ATOM 1660 CG HIS A 109 -4.319 -1.659 -20.063 1.00 63.42 C ATOM 1661 ND1 HIS A 109 -4.448 -0.370 -19.591 1.00 45.04 N ATOM 1662 CD2 HIS A 109 -3.040 -2.024 -19.815 1.00 32.11 C ATOM 1663 CE1 HIS A 109 -3.295 0.026 -19.081 1.00 34.32 C ATOM 1664 NE2 HIS A 109 -2.425 -0.958 -19.205 1.00 11.45 N ATOM 0 H HIS A 109 -3.763 -2.793 -22.466 1.00 52.35 H new ATOM 0 HA HIS A 109 -4.605 -4.353 -20.336 1.00 11.14 H new ATOM 0 HB2 HIS A 109 -5.809 -1.842 -21.561 1.00 3.42 H new ATOM 0 HB3 HIS A 109 -6.271 -2.486 -19.997 1.00 3.42 H new ATOM 0 HD2 HIS A 109 -2.587 -2.975 -20.052 1.00 32.11 H new ATOM 0 HE1 HIS A 109 -3.098 0.991 -18.638 1.00 34.32 H new ATOM 0 HE2 HIS A 109 -1.453 -0.931 -18.898 1.00 11.45 H new ATOM 1672 N HIS A 110 -7.013 -5.155 -20.658 1.00 63.25 N ATOM 1673 CA HIS A 110 -8.224 -5.913 -20.956 1.00 60.44 C ATOM 1674 C HIS A 110 -8.911 -6.366 -19.672 1.00 41.24 C ATOM 1675 O HIS A 110 -9.411 -7.488 -19.585 1.00 3.33 O ATOM 1676 CB HIS A 110 -7.890 -7.127 -21.824 1.00 25.35 C ATOM 1677 CG HIS A 110 -8.965 -7.474 -22.807 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -8.706 -8.022 -24.046 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -10.311 -7.350 -22.727 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -9.845 -8.219 -24.685 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -10.834 -7.820 -23.906 1.00 44.22 N ATOM 0 H HIS A 110 -6.775 -5.113 -19.667 1.00 63.25 H new ATOM 0 HA HIS A 110 -8.906 -5.261 -21.502 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -6.964 -6.933 -22.365 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -7.708 -7.986 -21.178 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -10.869 -6.955 -21.891 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -9.950 -8.636 -25.676 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -11.826 -7.855 -24.142 1.00 44.22 H new ATOM 1689 N HIS A 111 -8.932 -5.486 -18.675 1.00 71.21 N ATOM 1690 CA HIS A 111 -9.558 -5.795 -17.395 1.00 52.02 C ATOM 1691 C HIS A 111 -11.009 -6.225 -17.590 1.00 34.54 C ATOM 1692 O HIS A 111 -11.709 -5.629 -18.406 1.00 65.33 O ATOM 1693 CB HIS A 111 -9.493 -4.583 -16.465 1.00 34.45 C ATOM 1694 CG HIS A 111 -9.820 -4.903 -15.040 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -9.084 -5.786 -14.278 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -10.812 -4.453 -14.236 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -9.608 -5.865 -13.068 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -10.658 -5.065 -13.017 1.00 25.24 N ATOM 0 H HIS A 111 -8.522 -4.553 -18.730 1.00 71.21 H new ATOM 0 HA HIS A 111 -9.011 -6.621 -16.941 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -8.493 -4.153 -16.512 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -10.184 -3.821 -16.826 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -11.582 -3.744 -14.504 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -9.241 -6.479 -12.259 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -11.257 -4.925 -12.204 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -3.113 -17.260 -20.742 1.00 11.25 C HETATM 1708 O1 PLM A 201 -2.725 -18.491 -20.304 1.00 30.44 O HETATM 1709 O2 PLM A 201 -4.276 -16.978 -21.013 1.00 43.03 O HETATM 1710 C2 PLM A 201 -1.935 -16.259 -20.870 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.415 -15.858 -19.444 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.310 -14.777 -19.432 1.00 40.30 C HETATM 1713 C5 PLM A 201 -0.524 -13.737 -18.316 1.00 45.00 C HETATM 1714 C6 PLM A 201 -0.894 -14.394 -16.973 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.136 -13.766 -15.788 1.00 23.23 C HETATM 1716 C8 PLM A 201 -0.544 -12.299 -15.547 1.00 50.35 C HETATM 1717 C9 PLM A 201 0.541 -11.507 -14.790 1.00 13.45 C HETATM 1718 CA PLM A 201 1.526 -12.384 -13.990 1.00 44.10 C HETATM 1719 CB PLM A 201 2.323 -11.509 -13.004 1.00 71.52 C HETATM 1720 CC PLM A 201 3.862 -12.133 -12.975 1.00 61.21 C HETATM 1721 CD PLM A 201 4.636 -11.630 -11.740 1.00 62.02 C HETATM 1722 CE PLM A 201 6.001 -12.326 -11.584 1.00 10.40 C HETATM 1723 CF PLM A 201 6.481 -12.967 -12.899 1.00 25.23 C HETATM 1724 CG PLM A 201 6.993 -14.397 -12.683 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.830 -14.382 -11.985 1.00 45.31 H new HETATM 0 HG2 PLM A 201 6.191 -15.013 -12.275 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.322 -14.813 -13.635 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.662 -12.979 -13.618 1.00 25.23 H new HETATM 0 HF1 PLM A 201 7.275 -12.358 -13.331 1.00 25.23 H new HETATM 0 HE2 PLM A 201 6.740 -11.600 -11.245 1.00 10.40 H new HETATM 0 HE1 PLM A 201 5.930 -13.093 -10.813 1.00 10.40 H new HETATM 0 HD2 PLM A 201 4.786 -10.554 -11.822 1.00 62.02 H new HETATM 0 HD1 PLM A 201 4.039 -11.801 -10.845 1.00 62.02 H new HETATM 0 HC2 PLM A 201 3.817 -13.222 -12.962 1.00 61.21 H new HETATM 0 HC1 PLM A 201 4.392 -11.846 -13.883 1.00 61.21 H new HETATM 0 HB2 PLM A 201 2.331 -10.468 -13.326 1.00 71.52 H new HETATM 0 HB1 PLM A 201 1.874 -11.533 -12.011 1.00 71.52 H new HETATM 0 HA2 PLM A 201 0.981 -13.156 -13.447 1.00 44.10 H new HETATM 0 HA1 PLM A 201 2.208 -12.894 -14.670 1.00 44.10 H new HETATM 0 H92 PLM A 201 1.104 -10.910 -15.507 1.00 13.45 H new HETATM 0 H91 PLM A 201 0.055 -10.811 -14.106 1.00 13.45 H new HETATM 0 H82 PLM A 201 -0.741 -11.817 -16.505 1.00 50.35 H new HETATM 0 H81 PLM A 201 -1.474 -12.271 -14.979 1.00 50.35 H new HETATM 0 H72 PLM A 201 -0.329 -14.348 -14.887 1.00 23.23 H new HETATM 0 H71 PLM A 201 0.936 -13.817 -15.977 1.00 23.23 H new HETATM 0 H62 PLM A 201 -1.967 -14.298 -16.807 1.00 34.21 H new HETATM 0 H61 PLM A 201 -0.673 -15.460 -17.019 1.00 34.21 H new HETATM 0 H52 PLM A 201 0.384 -13.147 -18.192 1.00 45.00 H new HETATM 0 H51 PLM A 201 -1.314 -13.047 -18.611 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.661 -15.254 -19.300 1.00 40.30 H new HETATM 0 H41 PLM A 201 -0.288 -14.272 -20.398 1.00 40.30 H new HETATM 0 H32 PLM A 201 -2.258 -15.501 -18.853 1.00 43.24 H new HETATM 0 H31 PLM A 201 -1.034 -16.751 -18.948 1.00 43.24 H new HETATM 0 H22 PLM A 201 -1.127 -16.707 -21.448 1.00 21.42 H new HETATM 0 H21 PLM A 201 -2.259 -15.370 -21.411 1.00 21.42 H new HETATM 0 H PLM A 201 -3.441 -19.139 -20.471 1.00 30.44 H new HETATM 1757 C1 PLM A 202 2.161 -6.906 -13.817 1.00 15.44 C HETATM 1758 O1 PLM A 202 1.868 -5.681 -14.337 1.00 73.20 O HETATM 1759 O2 PLM A 202 2.898 -7.714 -14.373 1.00 74.42 O HETATM 1760 C2 PLM A 202 1.461 -7.176 -12.459 1.00 5.04 C HETATM 1761 C3 PLM A 202 2.097 -6.277 -11.341 1.00 32.23 C HETATM 1762 C4 PLM A 202 3.543 -6.655 -10.945 1.00 44.01 C HETATM 1763 C5 PLM A 202 4.593 -5.908 -11.788 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.879 -6.734 -11.978 1.00 64.43 C HETATM 1765 C7 PLM A 202 7.134 -5.974 -11.505 1.00 32.51 C HETATM 1766 C8 PLM A 202 8.393 -6.863 -11.521 1.00 51.45 C HETATM 1767 C9 PLM A 202 8.258 -8.052 -12.493 1.00 51.43 C HETATM 1768 CA PLM A 202 8.592 -7.714 -13.960 1.00 44.42 C HETATM 1769 CB PLM A 202 7.514 -8.303 -14.891 1.00 34.24 C HETATM 1770 CC PLM A 202 8.141 -9.726 -15.477 1.00 0.42 C HETATM 1771 CD PLM A 202 8.963 -9.479 -16.756 1.00 12.51 C HETATM 1772 CE PLM A 202 9.189 -10.772 -17.563 1.00 22.43 C HETATM 1773 CF PLM A 202 10.219 -10.581 -18.691 1.00 30.40 C HETATM 1774 CG PLM A 202 11.580 -11.190 -18.330 1.00 53.12 C HETATM 0 HG3 PLM A 202 11.966 -10.711 -17.430 1.00 53.12 H new HETATM 0 HG2 PLM A 202 11.464 -12.259 -18.151 1.00 53.12 H new HETATM 0 HG1 PLM A 202 12.278 -11.034 -19.152 1.00 53.12 H new HETATM 0 HF2 PLM A 202 9.846 -11.042 -19.606 1.00 30.40 H new HETATM 0 HF1 PLM A 202 10.340 -9.517 -18.896 1.00 30.40 H new HETATM 0 HE2 PLM A 202 9.529 -11.562 -16.893 1.00 22.43 H new HETATM 0 HE1 PLM A 202 8.242 -11.102 -17.990 1.00 22.43 H new HETATM 0 HD2 PLM A 202 8.449 -8.748 -17.381 1.00 12.51 H new HETATM 0 HD1 PLM A 202 9.927 -9.047 -16.488 1.00 12.51 H new HETATM 0 HC2 PLM A 202 8.772 -10.190 -14.719 1.00 0.42 H new HETATM 0 HC1 PLM A 202 7.332 -10.425 -15.689 1.00 0.42 H new HETATM 0 HB2 PLM A 202 6.585 -8.480 -14.349 1.00 34.24 H new HETATM 0 HB1 PLM A 202 7.282 -7.615 -15.704 1.00 34.24 H new HETATM 0 HA2 PLM A 202 8.647 -6.633 -14.090 1.00 44.42 H new HETATM 0 HA1 PLM A 202 9.571 -8.116 -14.222 1.00 44.42 H new HETATM 0 H92 PLM A 202 8.915 -8.855 -12.159 1.00 51.43 H new HETATM 0 H91 PLM A 202 7.238 -8.433 -12.443 1.00 51.43 H new HETATM 0 H82 PLM A 202 9.256 -6.261 -11.805 1.00 51.45 H new HETATM 0 H81 PLM A 202 8.583 -7.238 -10.515 1.00 51.45 H new HETATM 0 H72 PLM A 202 7.295 -5.107 -12.146 1.00 32.51 H new HETATM 0 H71 PLM A 202 6.970 -5.598 -10.495 1.00 32.51 H new HETATM 0 H62 PLM A 202 5.793 -7.670 -11.425 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.989 -6.995 -13.031 1.00 64.43 H new HETATM 0 H52 PLM A 202 4.170 -5.668 -12.763 1.00 2.30 H new HETATM 0 H51 PLM A 202 4.838 -4.962 -11.305 1.00 2.30 H new HETATM 0 H42 PLM A 202 3.699 -6.429 -9.890 1.00 44.01 H new HETATM 0 H41 PLM A 202 3.681 -7.730 -11.065 1.00 44.01 H new HETATM 0 H32 PLM A 202 2.088 -5.241 -11.679 1.00 32.23 H new HETATM 0 H31 PLM A 202 1.468 -6.328 -10.453 1.00 32.23 H new HETATM 0 H22 PLM A 202 0.394 -6.968 -12.542 1.00 5.04 H new HETATM 0 H21 PLM A 202 1.560 -8.228 -12.192 1.00 5.04 H new HETATM 0 H PLM A 202 1.263 -5.204 -13.731 1.00 73.20 H new