USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.907 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 16:sc= 0.1 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 29 CYS SG : rot 1:sc= -6.15! USER MOD Single : A 30 HIS : no HD1:sc= -1.31! K(o=-1.3!,f=-0.4) USER MOD Single : A 32 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.1) USER MOD Single : A 33 THR OG1 : rot 120:sc= -1.69 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00994 X(o=-0.0099,f=-0.021) USER MOD Single : A 38 CYS SG : rot -150:sc= -0.449 USER MOD Single : A 42 SER OG : rot -68:sc= 1.26 USER MOD Single : A 51 GLN : amide:sc= -0.404 K(o=-0.4,f=-3.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= -1.16 (180deg=-2.2) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -1.56 (180deg=-2.24) USER MOD Single : A 65 MET CE :methyl -108:sc= -2.02! (180deg=-5.99!) USER MOD Single : A 70 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.037) USER MOD Single : A 74 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-1.7!) USER MOD Single : A 76 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.28) USER MOD Single : A 84 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-4!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.00107 USER MOD Single : A 88 MET CE :methyl -113:sc= -0.306 (180deg=-2.77!) USER MOD Single : A 91 HIS : no HD1:sc= -6.4! C(o=-6.4!,f=-6.8!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -19:sc= -0.213 USER MOD Single : A 97 GLN : amide:sc= -5.97! C(o=-6!,f=-4.1!) USER MOD Single : A 99 MET CE :methyl -170:sc= -0.127 (180deg=-0.415) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 169:sc= 0.454 (180deg=0.419) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.425 2.205 25.320 1.00 0.00 N ATOM 2 CA GLY A 1 -8.168 3.012 24.366 1.00 0.00 C ATOM 3 C GLY A 1 -8.693 4.290 25.021 1.00 0.00 C ATOM 4 O GLY A 1 -9.902 4.510 25.081 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.079 1.343 24.851 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.617 2.751 25.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.047 1.943 26.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.526 3.268 23.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.002 2.434 23.967 1.00 0.00 H new ATOM 8 N SER A 2 -7.759 5.101 25.496 1.00 0.00 N ATOM 9 CA SER A 2 -8.113 6.352 26.145 1.00 0.00 C ATOM 10 C SER A 2 -7.652 7.534 25.290 1.00 0.00 C ATOM 11 O SER A 2 -6.467 7.659 24.985 1.00 0.00 O ATOM 12 CB SER A 2 -7.501 6.439 27.545 1.00 0.00 C ATOM 13 OG SER A 2 -7.915 7.615 28.236 1.00 0.00 O ATOM 0 H SER A 2 -6.757 4.916 25.444 1.00 0.00 H new ATOM 0 HA SER A 2 -9.197 6.388 26.249 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.788 5.560 28.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.414 6.428 27.467 1.00 0.00 H new ATOM 0 HG SER A 2 -7.505 7.633 29.126 1.00 0.00 H new ATOM 19 N SER A 3 -8.613 8.370 24.926 1.00 0.00 N ATOM 20 CA SER A 3 -8.321 9.537 24.111 1.00 0.00 C ATOM 21 C SER A 3 -7.712 9.105 22.776 1.00 0.00 C ATOM 22 O SER A 3 -7.359 7.939 22.599 1.00 0.00 O ATOM 23 CB SER A 3 -7.376 10.495 24.840 1.00 0.00 C ATOM 24 OG SER A 3 -8.056 11.649 25.327 1.00 0.00 O ATOM 0 H SER A 3 -9.595 8.262 25.181 1.00 0.00 H new ATOM 0 HA SER A 3 -9.256 10.064 23.922 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.904 9.974 25.673 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.579 10.803 24.163 1.00 0.00 H new ATOM 0 HG SER A 3 -7.419 12.234 25.787 1.00 0.00 H new ATOM 30 N GLY A 4 -7.607 10.066 21.870 1.00 0.00 N ATOM 31 CA GLY A 4 -7.047 9.799 20.557 1.00 0.00 C ATOM 32 C GLY A 4 -6.845 11.097 19.773 1.00 0.00 C ATOM 33 O GLY A 4 -6.599 12.149 20.360 1.00 0.00 O ATOM 0 H GLY A 4 -7.901 11.031 22.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.093 9.282 20.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.710 9.135 20.003 1.00 0.00 H new ATOM 37 N SER A 5 -6.956 10.980 18.458 1.00 0.00 N ATOM 38 CA SER A 5 -6.788 12.131 17.587 1.00 0.00 C ATOM 39 C SER A 5 -8.135 12.825 17.372 1.00 0.00 C ATOM 40 O SER A 5 -8.996 12.310 16.661 1.00 0.00 O ATOM 41 CB SER A 5 -6.182 11.722 16.243 1.00 0.00 C ATOM 42 OG SER A 5 -7.062 10.891 15.491 1.00 0.00 O ATOM 0 H SER A 5 -7.160 10.106 17.974 1.00 0.00 H new ATOM 0 HA SER A 5 -6.100 12.826 18.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.945 12.615 15.665 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.243 11.195 16.414 1.00 0.00 H new ATOM 0 HG SER A 5 -7.990 11.152 15.668 1.00 0.00 H new ATOM 48 N SER A 6 -8.274 13.983 18.000 1.00 0.00 N ATOM 49 CA SER A 6 -9.501 14.753 17.886 1.00 0.00 C ATOM 50 C SER A 6 -10.696 13.900 18.315 1.00 0.00 C ATOM 51 O SER A 6 -10.561 12.694 18.520 1.00 0.00 O ATOM 52 CB SER A 6 -9.700 15.265 16.458 1.00 0.00 C ATOM 53 OG SER A 6 -9.085 16.534 16.255 1.00 0.00 O ATOM 0 H SER A 6 -7.557 14.407 18.589 1.00 0.00 H new ATOM 0 HA SER A 6 -9.424 15.617 18.545 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.285 14.544 15.753 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.766 15.341 16.245 1.00 0.00 H new ATOM 0 HG SER A 6 -9.233 16.825 15.331 1.00 0.00 H new ATOM 59 N GLY A 7 -11.839 14.558 18.439 1.00 0.00 N ATOM 60 CA GLY A 7 -13.057 13.875 18.840 1.00 0.00 C ATOM 61 C GLY A 7 -13.299 12.635 17.978 1.00 0.00 C ATOM 62 O GLY A 7 -12.820 11.548 18.298 1.00 0.00 O ATOM 0 H GLY A 7 -11.947 15.558 18.269 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.988 13.585 19.889 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.905 14.554 18.752 1.00 0.00 H new ATOM 66 N VAL A 8 -14.044 12.839 16.901 1.00 0.00 N ATOM 67 CA VAL A 8 -14.356 11.750 15.990 1.00 0.00 C ATOM 68 C VAL A 8 -14.349 12.276 14.553 1.00 0.00 C ATOM 69 O VAL A 8 -15.384 12.291 13.888 1.00 0.00 O ATOM 70 CB VAL A 8 -15.685 11.103 16.383 1.00 0.00 C ATOM 71 CG1 VAL A 8 -16.133 10.088 15.330 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.591 10.454 17.766 1.00 0.00 C ATOM 0 H VAL A 8 -14.440 13.742 16.639 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.598 10.969 16.055 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.439 11.889 16.432 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.080 9.643 15.634 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.259 10.590 14.371 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.379 9.307 15.234 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.549 10.001 18.021 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.818 9.686 17.756 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.339 11.212 18.507 1.00 0.00 H new ATOM 82 N ILE A 9 -13.170 12.695 14.116 1.00 0.00 N ATOM 83 CA ILE A 9 -13.015 13.220 12.770 1.00 0.00 C ATOM 84 C ILE A 9 -12.183 12.242 11.938 1.00 0.00 C ATOM 85 O ILE A 9 -11.130 11.785 12.380 1.00 0.00 O ATOM 86 CB ILE A 9 -12.438 14.637 12.811 1.00 0.00 C ATOM 87 CG1 ILE A 9 -13.344 15.575 13.611 1.00 0.00 C ATOM 88 CG2 ILE A 9 -12.174 15.162 11.398 1.00 0.00 C ATOM 89 CD1 ILE A 9 -12.570 16.801 14.098 1.00 0.00 C ATOM 0 H ILE A 9 -12.314 12.682 14.670 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.986 13.309 12.282 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.478 14.600 13.326 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.183 15.892 12.991 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.762 15.042 14.465 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.764 16.170 11.455 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.461 14.509 10.894 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.108 15.181 10.837 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.237 17.451 14.664 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.747 16.481 14.737 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.174 17.345 13.241 1.00 0.00 H new ATOM 101 N GLU A 10 -12.688 11.949 10.748 1.00 0.00 N ATOM 102 CA GLU A 10 -12.005 11.033 9.851 1.00 0.00 C ATOM 103 C GLU A 10 -11.830 11.673 8.472 1.00 0.00 C ATOM 104 O GLU A 10 -12.800 11.846 7.736 1.00 0.00 O ATOM 105 CB GLU A 10 -12.757 9.704 9.747 1.00 0.00 C ATOM 106 CG GLU A 10 -12.744 8.961 11.084 1.00 0.00 C ATOM 107 CD GLU A 10 -13.363 7.569 10.944 1.00 0.00 C ATOM 108 OE1 GLU A 10 -14.594 7.513 10.733 1.00 0.00 O ATOM 109 OE2 GLU A 10 -12.591 6.591 11.050 1.00 0.00 O ATOM 0 H GLU A 10 -13.562 12.330 10.385 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.017 10.823 10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.786 9.888 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.300 9.083 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.719 8.873 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.296 9.535 11.828 1.00 0.00 H new ATOM 116 N SER A 11 -10.585 12.006 8.164 1.00 0.00 N ATOM 117 CA SER A 11 -10.270 12.623 6.887 1.00 0.00 C ATOM 118 C SER A 11 -8.765 12.542 6.624 1.00 0.00 C ATOM 119 O SER A 11 -8.338 12.026 5.592 1.00 0.00 O ATOM 120 CB SER A 11 -10.738 14.079 6.848 1.00 0.00 C ATOM 121 OG SER A 11 -10.223 14.776 5.717 1.00 0.00 O ATOM 0 H SER A 11 -9.783 11.860 8.777 1.00 0.00 H new ATOM 0 HA SER A 11 -10.799 12.079 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.827 14.109 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.423 14.586 7.760 1.00 0.00 H new ATOM 0 HG SER A 11 -10.546 15.701 5.728 1.00 0.00 H new ATOM 127 N GLU A 12 -8.002 13.060 7.575 1.00 0.00 N ATOM 128 CA GLU A 12 -6.553 13.053 7.459 1.00 0.00 C ATOM 129 C GLU A 12 -6.009 11.642 7.689 1.00 0.00 C ATOM 130 O GLU A 12 -6.712 10.780 8.213 1.00 0.00 O ATOM 131 CB GLU A 12 -5.921 14.050 8.432 1.00 0.00 C ATOM 132 CG GLU A 12 -5.161 15.144 7.679 1.00 0.00 C ATOM 133 CD GLU A 12 -3.650 14.913 7.752 1.00 0.00 C ATOM 134 OE1 GLU A 12 -3.229 13.795 7.383 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.951 15.858 8.176 1.00 0.00 O ATOM 0 H GLU A 12 -8.359 13.487 8.429 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.287 13.363 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.697 14.501 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.241 13.527 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.480 15.161 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.404 16.118 8.103 1.00 0.00 H new ATOM 142 N THR A 13 -4.762 11.450 7.285 1.00 0.00 N ATOM 143 CA THR A 13 -4.115 10.158 7.441 1.00 0.00 C ATOM 144 C THR A 13 -2.656 10.339 7.864 1.00 0.00 C ATOM 145 O THR A 13 -1.977 11.248 7.389 1.00 0.00 O ATOM 146 CB THR A 13 -4.276 9.388 6.129 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.552 8.764 6.247 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.298 8.217 6.013 1.00 0.00 C ATOM 0 H THR A 13 -4.182 12.168 6.850 1.00 0.00 H new ATOM 0 HA THR A 13 -4.581 9.576 8.236 1.00 0.00 H new ATOM 0 HB THR A 13 -4.130 10.068 5.289 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.059 9.190 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.455 7.705 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.275 8.591 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.466 7.520 6.834 1.00 0.00 H new ATOM 156 N LEU A 14 -2.218 9.460 8.753 1.00 0.00 N ATOM 157 CA LEU A 14 -0.852 9.512 9.245 1.00 0.00 C ATOM 158 C LEU A 14 -0.032 8.405 8.579 1.00 0.00 C ATOM 159 O LEU A 14 -0.539 7.310 8.339 1.00 0.00 O ATOM 160 CB LEU A 14 -0.831 9.457 10.774 1.00 0.00 C ATOM 161 CG LEU A 14 -1.685 10.501 11.494 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.413 9.885 12.691 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.844 11.714 11.898 1.00 0.00 C ATOM 0 H LEU A 14 -2.785 8.708 9.145 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.386 10.460 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.163 8.467 11.087 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.201 9.568 11.108 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.448 10.854 10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.013 10.649 13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.063 9.080 12.347 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.683 9.486 13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.476 12.441 12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.044 11.396 12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.412 12.170 11.007 1.00 0.00 H new ATOM 175 N ILE A 15 1.222 8.728 8.299 1.00 0.00 N ATOM 176 CA ILE A 15 2.117 7.775 7.665 1.00 0.00 C ATOM 177 C ILE A 15 2.127 6.476 8.473 1.00 0.00 C ATOM 178 O ILE A 15 1.953 5.393 7.916 1.00 0.00 O ATOM 179 CB ILE A 15 3.505 8.390 7.472 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.410 7.458 6.664 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.128 8.770 8.817 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.717 8.157 6.285 1.00 0.00 C ATOM 0 H ILE A 15 1.640 9.637 8.500 1.00 0.00 H new ATOM 0 HA ILE A 15 1.762 7.526 6.665 1.00 0.00 H new ATOM 0 HB ILE A 15 3.394 9.309 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.628 6.562 7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.892 7.134 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.114 9.205 8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.491 9.497 9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.224 7.879 9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.342 7.473 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.497 9.039 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.244 8.458 7.190 1.00 0.00 H new ATOM 194 N GLU A 16 2.333 6.627 9.773 1.00 0.00 N ATOM 195 CA GLU A 16 2.367 5.479 10.663 1.00 0.00 C ATOM 196 C GLU A 16 1.025 4.746 10.637 1.00 0.00 C ATOM 197 O GLU A 16 0.965 3.543 10.889 1.00 0.00 O ATOM 198 CB GLU A 16 2.733 5.901 12.088 1.00 0.00 C ATOM 199 CG GLU A 16 4.156 6.461 12.145 1.00 0.00 C ATOM 200 CD GLU A 16 4.436 7.107 13.504 1.00 0.00 C ATOM 201 OE1 GLU A 16 3.548 7.851 13.972 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.533 6.843 14.042 1.00 0.00 O ATOM 0 H GLU A 16 2.478 7.527 10.231 1.00 0.00 H new ATOM 0 HA GLU A 16 3.139 4.795 10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.028 6.653 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.648 5.045 12.758 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.873 5.661 11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.293 7.197 11.353 1.00 0.00 H new ATOM 209 N ASP A 17 -0.020 5.501 10.329 1.00 0.00 N ATOM 210 CA ASP A 17 -1.357 4.937 10.266 1.00 0.00 C ATOM 211 C ASP A 17 -1.494 4.098 8.994 1.00 0.00 C ATOM 212 O ASP A 17 -2.292 3.164 8.945 1.00 0.00 O ATOM 213 CB ASP A 17 -2.418 6.040 10.221 1.00 0.00 C ATOM 214 CG ASP A 17 -3.231 6.207 11.506 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.769 5.684 12.543 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.298 6.854 11.422 1.00 0.00 O ATOM 0 H ASP A 17 0.033 6.498 10.121 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.507 4.327 11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.927 6.986 9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.103 5.831 9.400 1.00 0.00 H new ATOM 221 N VAL A 18 -0.701 4.462 7.996 1.00 0.00 N ATOM 222 CA VAL A 18 -0.723 3.754 6.727 1.00 0.00 C ATOM 223 C VAL A 18 0.375 2.688 6.724 1.00 0.00 C ATOM 224 O VAL A 18 0.325 1.744 5.937 1.00 0.00 O ATOM 225 CB VAL A 18 -0.595 4.748 5.571 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.585 4.024 4.224 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.710 5.795 5.623 1.00 0.00 C ATOM 0 H VAL A 18 -0.040 5.237 8.041 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.675 3.241 6.592 1.00 0.00 H new ATOM 0 HB VAL A 18 0.357 5.267 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.493 4.754 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.259 3.335 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.514 3.466 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.596 6.489 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.678 5.299 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.651 6.343 6.563 1.00 0.00 H new ATOM 237 N LEU A 19 1.340 2.875 7.612 1.00 0.00 N ATOM 238 CA LEU A 19 2.448 1.942 7.721 1.00 0.00 C ATOM 239 C LEU A 19 2.116 0.884 8.774 1.00 0.00 C ATOM 240 O LEU A 19 2.525 -0.270 8.651 1.00 0.00 O ATOM 241 CB LEU A 19 3.754 2.691 7.991 1.00 0.00 C ATOM 242 CG LEU A 19 4.453 3.285 6.767 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.434 2.284 6.155 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.432 3.787 5.743 1.00 0.00 C ATOM 0 H LEU A 19 1.377 3.659 8.263 1.00 0.00 H new ATOM 0 HA LEU A 19 2.598 1.417 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.548 3.498 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.446 2.008 8.484 1.00 0.00 H new ATOM 0 HG LEU A 19 5.035 4.147 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.917 2.732 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.190 2.018 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.895 1.388 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.955 4.205 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.804 2.957 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.809 4.557 6.198 1.00 0.00 H new ATOM 256 N ARG A 20 1.377 1.314 9.787 1.00 0.00 N ATOM 257 CA ARG A 20 0.985 0.418 10.861 1.00 0.00 C ATOM 258 C ARG A 20 0.478 -0.908 10.289 1.00 0.00 C ATOM 259 O ARG A 20 0.933 -1.977 10.692 1.00 0.00 O ATOM 260 CB ARG A 20 -0.109 1.043 11.728 1.00 0.00 C ATOM 261 CG ARG A 20 0.412 1.347 13.134 1.00 0.00 C ATOM 262 CD ARG A 20 1.593 2.318 13.083 1.00 0.00 C ATOM 263 NE ARG A 20 2.463 2.119 14.263 1.00 0.00 N ATOM 264 CZ ARG A 20 2.161 2.538 15.499 1.00 0.00 C ATOM 265 NH1 ARG A 20 1.008 3.183 15.725 1.00 0.00 N ATOM 266 NH2 ARG A 20 3.011 2.313 16.510 1.00 0.00 N ATOM 0 H ARG A 20 1.040 2.271 9.886 1.00 0.00 H new ATOM 0 HA ARG A 20 1.864 0.238 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.467 1.961 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.960 0.365 11.790 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.389 1.774 13.738 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.719 0.421 13.620 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.165 2.160 12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.229 3.345 13.058 1.00 0.00 H new ATOM 0 HE ARG A 20 3.349 1.632 14.127 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.360 3.355 14.956 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.778 3.502 16.666 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.889 1.822 16.339 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.780 2.632 17.451 1.00 0.00 H new ATOM 280 N PRO A 21 -0.482 -0.791 9.333 1.00 0.00 N ATOM 281 CA PRO A 21 -1.056 -1.967 8.701 1.00 0.00 C ATOM 282 C PRO A 21 -0.081 -2.580 7.695 1.00 0.00 C ATOM 283 O PRO A 21 0.230 -3.767 7.770 1.00 0.00 O ATOM 284 CB PRO A 21 -2.344 -1.478 8.058 1.00 0.00 C ATOM 285 CG PRO A 21 -2.212 0.032 7.954 1.00 0.00 C ATOM 286 CD PRO A 21 -1.045 0.459 8.830 1.00 0.00 C ATOM 0 HA PRO A 21 -1.260 -2.769 9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.484 -1.926 7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.210 -1.754 8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.042 0.330 6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.131 0.519 8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.308 1.024 8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.377 1.101 9.646 1.00 0.00 H new ATOM 294 N LEU A 22 0.376 -1.742 6.775 1.00 0.00 N ATOM 295 CA LEU A 22 1.310 -2.186 5.755 1.00 0.00 C ATOM 296 C LEU A 22 2.407 -3.030 6.407 1.00 0.00 C ATOM 297 O LEU A 22 2.857 -4.020 5.833 1.00 0.00 O ATOM 298 CB LEU A 22 1.843 -0.993 4.960 1.00 0.00 C ATOM 299 CG LEU A 22 0.957 -0.500 3.814 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.400 0.883 3.333 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.921 -1.519 2.673 1.00 0.00 C ATOM 0 H LEU A 22 0.116 -0.757 6.715 1.00 0.00 H new ATOM 0 HA LEU A 22 0.806 -2.823 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.004 -0.165 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.817 -1.261 4.550 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.061 -0.399 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.753 1.209 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.332 1.594 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.430 0.833 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.285 -1.145 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.930 -1.675 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.522 -2.464 3.042 1.00 0.00 H new ATOM 313 N GLU A 23 2.806 -2.607 7.598 1.00 0.00 N ATOM 314 CA GLU A 23 3.841 -3.311 8.334 1.00 0.00 C ATOM 315 C GLU A 23 3.287 -4.613 8.916 1.00 0.00 C ATOM 316 O GLU A 23 3.933 -5.657 8.839 1.00 0.00 O ATOM 317 CB GLU A 23 4.431 -2.426 9.434 1.00 0.00 C ATOM 318 CG GLU A 23 5.628 -1.628 8.913 1.00 0.00 C ATOM 319 CD GLU A 23 6.587 -1.273 10.051 1.00 0.00 C ATOM 320 OE1 GLU A 23 7.223 -2.215 10.571 1.00 0.00 O ATOM 321 OE2 GLU A 23 6.663 -0.068 10.374 1.00 0.00 O ATOM 0 H GLU A 23 2.430 -1.785 8.071 1.00 0.00 H new ATOM 0 HA GLU A 23 4.646 -3.559 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.667 -1.742 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.741 -3.045 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.155 -2.209 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.279 -0.716 8.429 1.00 0.00 H new ATOM 328 N GLN A 24 2.095 -4.509 9.486 1.00 0.00 N ATOM 329 CA GLN A 24 1.446 -5.665 10.081 1.00 0.00 C ATOM 330 C GLN A 24 1.433 -6.833 9.093 1.00 0.00 C ATOM 331 O GLN A 24 1.674 -7.977 9.475 1.00 0.00 O ATOM 332 CB GLN A 24 0.029 -5.321 10.542 1.00 0.00 C ATOM 333 CG GLN A 24 0.057 -4.469 11.813 1.00 0.00 C ATOM 334 CD GLN A 24 0.007 -5.349 13.063 1.00 0.00 C ATOM 335 OE1 GLN A 24 0.664 -6.373 13.160 1.00 0.00 O ATOM 336 NE2 GLN A 24 -0.806 -4.895 14.012 1.00 0.00 N ATOM 0 H GLN A 24 1.562 -3.642 9.548 1.00 0.00 H new ATOM 0 HA GLN A 24 2.016 -5.965 10.960 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.494 -4.783 9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.530 -6.238 10.727 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.961 -3.861 11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.789 -3.782 11.813 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.327 -4.030 13.866 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.908 -5.411 14.886 1.00 0.00 H new ATOM 345 N ALA A 25 1.149 -6.505 7.841 1.00 0.00 N ATOM 346 CA ALA A 25 1.102 -7.512 6.795 1.00 0.00 C ATOM 347 C ALA A 25 2.489 -8.136 6.630 1.00 0.00 C ATOM 348 O ALA A 25 2.625 -9.358 6.600 1.00 0.00 O ATOM 349 CB ALA A 25 0.588 -6.880 5.500 1.00 0.00 C ATOM 0 H ALA A 25 0.949 -5.555 7.527 1.00 0.00 H new ATOM 0 HA ALA A 25 0.412 -8.312 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.553 -7.636 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.412 -6.479 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.257 -6.074 5.198 1.00 0.00 H new ATOM 355 N LEU A 26 3.484 -7.267 6.527 1.00 0.00 N ATOM 356 CA LEU A 26 4.857 -7.717 6.366 1.00 0.00 C ATOM 357 C LEU A 26 5.157 -8.804 7.400 1.00 0.00 C ATOM 358 O LEU A 26 5.644 -9.879 7.053 1.00 0.00 O ATOM 359 CB LEU A 26 5.820 -6.530 6.423 1.00 0.00 C ATOM 360 CG LEU A 26 7.273 -6.827 6.048 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.352 -7.607 4.734 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.102 -5.542 6.002 1.00 0.00 C ATOM 0 H LEU A 26 3.367 -6.254 6.552 1.00 0.00 H new ATOM 0 HA LEU A 26 4.999 -8.165 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.446 -5.752 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.803 -6.122 7.433 1.00 0.00 H new ATOM 0 HG LEU A 26 7.703 -7.460 6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.396 -7.805 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.818 -8.552 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.898 -7.021 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.131 -5.782 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.682 -4.864 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.085 -5.063 6.981 1.00 0.00 H new ATOM 374 N GLU A 27 4.855 -8.486 8.650 1.00 0.00 N ATOM 375 CA GLU A 27 5.087 -9.422 9.737 1.00 0.00 C ATOM 376 C GLU A 27 4.633 -10.826 9.335 1.00 0.00 C ATOM 377 O GLU A 27 5.359 -11.799 9.536 1.00 0.00 O ATOM 378 CB GLU A 27 4.382 -8.963 11.015 1.00 0.00 C ATOM 379 CG GLU A 27 5.220 -7.922 11.760 1.00 0.00 C ATOM 380 CD GLU A 27 5.532 -8.387 13.185 1.00 0.00 C ATOM 381 OE1 GLU A 27 4.558 -8.586 13.942 1.00 0.00 O ATOM 382 OE2 GLU A 27 6.737 -8.532 13.483 1.00 0.00 O ATOM 0 H GLU A 27 4.452 -7.593 8.934 1.00 0.00 H new ATOM 0 HA GLU A 27 6.157 -9.452 9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.408 -8.541 10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.201 -9.821 11.663 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.150 -7.744 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.684 -6.974 11.792 1.00 0.00 H new ATOM 389 N ASP A 28 3.434 -10.888 8.773 1.00 0.00 N ATOM 390 CA ASP A 28 2.875 -12.157 8.341 1.00 0.00 C ATOM 391 C ASP A 28 3.730 -12.727 7.207 1.00 0.00 C ATOM 392 O ASP A 28 4.170 -13.873 7.272 1.00 0.00 O ATOM 393 CB ASP A 28 1.449 -11.980 7.814 1.00 0.00 C ATOM 394 CG ASP A 28 0.349 -12.121 8.868 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.690 -12.549 9.992 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.809 -11.798 8.525 1.00 0.00 O ATOM 0 H ASP A 28 2.835 -10.079 8.607 1.00 0.00 H new ATOM 0 HA ASP A 28 2.862 -12.829 9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.367 -10.995 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.274 -12.714 7.028 1.00 0.00 H new ATOM 401 N CYS A 29 3.940 -11.899 6.194 1.00 0.00 N ATOM 402 CA CYS A 29 4.734 -12.306 5.047 1.00 0.00 C ATOM 403 C CYS A 29 6.087 -12.810 5.555 1.00 0.00 C ATOM 404 O CYS A 29 6.644 -13.760 5.007 1.00 0.00 O ATOM 405 CB CYS A 29 4.892 -11.168 4.036 1.00 0.00 C ATOM 406 SG CYS A 29 6.303 -11.513 2.922 1.00 0.00 S ATOM 0 H CYS A 29 3.574 -10.948 6.144 1.00 0.00 H new ATOM 0 HA CYS A 29 4.224 -13.109 4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.977 -11.058 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.053 -10.225 4.559 1.00 0.00 H new ATOM 0 HG CYS A 29 6.834 -12.657 3.236 1.00 0.00 H new ATOM 412 N HIS A 30 6.575 -12.151 6.595 1.00 0.00 N ATOM 413 CA HIS A 30 7.852 -12.521 7.183 1.00 0.00 C ATOM 414 C HIS A 30 7.728 -13.886 7.863 1.00 0.00 C ATOM 415 O HIS A 30 8.718 -14.599 8.018 1.00 0.00 O ATOM 416 CB HIS A 30 8.351 -11.429 8.131 1.00 0.00 C ATOM 417 CG HIS A 30 9.000 -11.956 9.388 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.351 -11.810 9.651 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.471 -12.628 10.450 1.00 0.00 C ATOM 420 CE1 HIS A 30 10.612 -12.374 10.821 1.00 0.00 C ATOM 421 NE2 HIS A 30 9.446 -12.881 11.315 1.00 0.00 N ATOM 0 H HIS A 30 6.110 -11.363 7.046 1.00 0.00 H new ATOM 0 HA HIS A 30 8.604 -12.612 6.399 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.067 -10.801 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.512 -10.791 8.408 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.434 -12.907 10.568 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.579 -12.424 11.300 1.00 0.00 H new ATOM 0 HE2 HIS A 30 9.341 -13.373 12.202 1.00 0.00 H new ATOM 429 N GLY A 31 6.503 -14.208 8.252 1.00 0.00 N ATOM 430 CA GLY A 31 6.236 -15.474 8.913 1.00 0.00 C ATOM 431 C GLY A 31 5.271 -16.330 8.089 1.00 0.00 C ATOM 432 O GLY A 31 4.548 -17.159 8.638 1.00 0.00 O ATOM 0 H GLY A 31 5.684 -13.614 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.171 -16.015 9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.813 -15.291 9.901 1.00 0.00 H new ATOM 436 N HIS A 32 5.291 -16.098 6.785 1.00 0.00 N ATOM 437 CA HIS A 32 4.428 -16.837 5.880 1.00 0.00 C ATOM 438 C HIS A 32 5.069 -16.897 4.492 1.00 0.00 C ATOM 439 O HIS A 32 5.646 -17.915 4.114 1.00 0.00 O ATOM 440 CB HIS A 32 3.021 -16.235 5.858 1.00 0.00 C ATOM 441 CG HIS A 32 2.223 -16.493 7.114 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.852 -17.763 7.519 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.731 -15.631 8.050 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.167 -17.659 8.648 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.093 -16.337 8.975 1.00 0.00 N ATOM 0 H HIS A 32 5.892 -15.408 6.333 1.00 0.00 H new ATOM 0 HA HIS A 32 4.317 -17.862 6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.100 -15.159 5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.477 -16.640 5.005 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.842 -14.557 8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.742 -18.477 9.211 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.624 -15.954 9.796 1.00 0.00 H new ATOM 453 N THR A 33 4.947 -15.792 3.771 1.00 0.00 N ATOM 454 CA THR A 33 5.507 -15.705 2.434 1.00 0.00 C ATOM 455 C THR A 33 7.020 -15.931 2.473 1.00 0.00 C ATOM 456 O THR A 33 7.655 -15.720 3.505 1.00 0.00 O ATOM 457 CB THR A 33 5.110 -14.352 1.841 1.00 0.00 C ATOM 458 OG1 THR A 33 4.013 -14.656 0.984 1.00 0.00 O ATOM 459 CG2 THR A 33 6.175 -13.790 0.898 1.00 0.00 C ATOM 0 H THR A 33 4.468 -14.949 4.088 1.00 0.00 H new ATOM 0 HA THR A 33 5.110 -16.488 1.788 1.00 0.00 H new ATOM 0 HB THR A 33 4.929 -13.642 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.218 -14.168 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.843 -12.829 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.109 -13.656 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.333 -14.484 0.073 1.00 0.00 H new ATOM 467 N LYS A 34 7.553 -16.356 1.337 1.00 0.00 N ATOM 468 CA LYS A 34 8.979 -16.612 1.230 1.00 0.00 C ATOM 469 C LYS A 34 9.751 -15.396 1.745 1.00 0.00 C ATOM 470 O LYS A 34 9.300 -14.262 1.598 1.00 0.00 O ATOM 471 CB LYS A 34 9.344 -17.012 -0.201 1.00 0.00 C ATOM 472 CG LYS A 34 8.396 -18.091 -0.728 1.00 0.00 C ATOM 473 CD LYS A 34 9.144 -19.097 -1.606 1.00 0.00 C ATOM 474 CE LYS A 34 8.917 -18.805 -3.090 1.00 0.00 C ATOM 475 NZ LYS A 34 8.801 -20.067 -3.855 1.00 0.00 N ATOM 0 H LYS A 34 7.023 -16.529 0.483 1.00 0.00 H new ATOM 0 HA LYS A 34 9.263 -17.458 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.301 -16.137 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.370 -17.379 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.929 -18.610 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.594 -17.627 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.210 -19.057 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.807 -20.108 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.011 -18.212 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.743 -18.211 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.647 -19.851 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.676 -20.619 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.998 -20.620 -3.493 1.00 0.00 H new ATOM 489 N LYS A 35 10.903 -15.675 2.338 1.00 0.00 N ATOM 490 CA LYS A 35 11.742 -14.618 2.876 1.00 0.00 C ATOM 491 C LYS A 35 12.161 -13.679 1.743 1.00 0.00 C ATOM 492 O LYS A 35 12.077 -12.459 1.881 1.00 0.00 O ATOM 493 CB LYS A 35 12.921 -15.212 3.650 1.00 0.00 C ATOM 494 CG LYS A 35 13.826 -14.109 4.202 1.00 0.00 C ATOM 495 CD LYS A 35 13.210 -13.466 5.447 1.00 0.00 C ATOM 496 CE LYS A 35 13.300 -14.406 6.650 1.00 0.00 C ATOM 497 NZ LYS A 35 13.141 -13.650 7.912 1.00 0.00 N ATOM 0 H LYS A 35 11.275 -16.617 2.457 1.00 0.00 H new ATOM 0 HA LYS A 35 11.186 -14.020 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.550 -15.827 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.497 -15.867 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.803 -14.525 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.987 -13.349 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.725 -12.532 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.167 -13.216 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.528 -15.172 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.261 -14.920 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.205 -14.303 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.893 -12.935 7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.214 -13.179 7.920 1.00 0.00 H new ATOM 511 N GLN A 36 12.602 -14.282 0.650 1.00 0.00 N ATOM 512 CA GLN A 36 13.034 -13.515 -0.506 1.00 0.00 C ATOM 513 C GLN A 36 12.016 -12.418 -0.825 1.00 0.00 C ATOM 514 O GLN A 36 12.368 -11.241 -0.897 1.00 0.00 O ATOM 515 CB GLN A 36 13.257 -14.424 -1.716 1.00 0.00 C ATOM 516 CG GLN A 36 14.537 -15.247 -1.554 1.00 0.00 C ATOM 517 CD GLN A 36 15.556 -14.895 -2.640 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.881 -13.742 -2.872 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.040 -15.950 -3.290 1.00 0.00 N ATOM 0 H GLN A 36 12.670 -15.294 0.540 1.00 0.00 H new ATOM 0 HA GLN A 36 13.987 -13.042 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.404 -15.092 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.320 -13.821 -2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.970 -15.063 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.299 -16.310 -1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.725 -16.889 -3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.726 -15.820 -4.033 1.00 0.00 H new ATOM 528 N VAL A 37 10.775 -12.843 -1.008 1.00 0.00 N ATOM 529 CA VAL A 37 9.703 -11.911 -1.318 1.00 0.00 C ATOM 530 C VAL A 37 9.587 -10.881 -0.193 1.00 0.00 C ATOM 531 O VAL A 37 9.384 -9.696 -0.450 1.00 0.00 O ATOM 532 CB VAL A 37 8.401 -12.675 -1.566 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.271 -11.720 -1.957 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.595 -13.759 -2.628 1.00 0.00 C ATOM 0 H VAL A 37 10.487 -13.820 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 37 9.924 -11.366 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 37 8.118 -13.166 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.357 -12.289 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.107 -11.002 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.543 -11.188 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.654 -14.287 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.914 -13.299 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.355 -14.464 -2.293 1.00 0.00 H new ATOM 544 N CYS A 38 9.721 -11.371 1.031 1.00 0.00 N ATOM 545 CA CYS A 38 9.634 -10.508 2.196 1.00 0.00 C ATOM 546 C CYS A 38 10.720 -9.436 2.082 1.00 0.00 C ATOM 547 O CYS A 38 10.421 -8.243 2.073 1.00 0.00 O ATOM 548 CB CYS A 38 9.751 -11.303 3.499 1.00 0.00 C ATOM 549 SG CYS A 38 9.837 -10.158 4.924 1.00 0.00 S ATOM 0 H CYS A 38 9.889 -12.355 1.241 1.00 0.00 H new ATOM 0 HA CYS A 38 8.655 -10.030 2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.894 -11.968 3.607 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.641 -11.932 3.473 1.00 0.00 H new ATOM 0 HG CYS A 38 10.535 -10.702 5.876 1.00 0.00 H new ATOM 555 N ASP A 39 11.958 -9.900 1.999 1.00 0.00 N ATOM 556 CA ASP A 39 13.090 -8.996 1.886 1.00 0.00 C ATOM 557 C ASP A 39 12.834 -8.005 0.749 1.00 0.00 C ATOM 558 O ASP A 39 13.373 -6.899 0.751 1.00 0.00 O ATOM 559 CB ASP A 39 14.376 -9.760 1.566 1.00 0.00 C ATOM 560 CG ASP A 39 15.669 -9.049 1.971 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.560 -8.064 2.732 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.737 -9.507 1.510 1.00 0.00 O ATOM 0 H ASP A 39 12.202 -10.890 2.008 1.00 0.00 H new ATOM 0 HA ASP A 39 13.205 -8.480 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.340 -10.728 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.407 -9.956 0.494 1.00 0.00 H new ATOM 567 N ASP A 40 12.012 -8.436 -0.196 1.00 0.00 N ATOM 568 CA ASP A 40 11.678 -7.601 -1.336 1.00 0.00 C ATOM 569 C ASP A 40 10.584 -6.609 -0.934 1.00 0.00 C ATOM 570 O ASP A 40 10.777 -5.397 -1.022 1.00 0.00 O ATOM 571 CB ASP A 40 11.148 -8.442 -2.499 1.00 0.00 C ATOM 572 CG ASP A 40 11.305 -7.806 -3.882 1.00 0.00 C ATOM 573 OD1 ASP A 40 10.619 -6.790 -4.121 1.00 0.00 O ATOM 574 OD2 ASP A 40 12.109 -8.351 -4.669 1.00 0.00 O ATOM 0 H ASP A 40 11.567 -9.354 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 40 12.584 -7.082 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.663 -9.403 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.091 -8.646 -2.328 1.00 0.00 H new ATOM 579 N ILE A 41 9.460 -7.160 -0.501 1.00 0.00 N ATOM 580 CA ILE A 41 8.336 -6.339 -0.084 1.00 0.00 C ATOM 581 C ILE A 41 8.836 -5.228 0.841 1.00 0.00 C ATOM 582 O ILE A 41 8.710 -4.047 0.522 1.00 0.00 O ATOM 583 CB ILE A 41 7.239 -7.207 0.535 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.671 -8.189 -0.492 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.146 -6.342 1.166 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.725 -9.191 0.172 1.00 0.00 C ATOM 0 H ILE A 41 9.303 -8.165 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 41 7.878 -5.854 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 41 7.683 -7.799 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.138 -7.641 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.487 -8.722 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.379 -6.984 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.581 -5.719 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.699 -5.706 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.336 -9.877 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.267 -9.755 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.898 -8.656 0.638 1.00 0.00 H new ATOM 598 N SER A 42 9.394 -5.646 1.968 1.00 0.00 N ATOM 599 CA SER A 42 9.914 -4.701 2.941 1.00 0.00 C ATOM 600 C SER A 42 10.740 -3.624 2.235 1.00 0.00 C ATOM 601 O SER A 42 10.506 -2.432 2.427 1.00 0.00 O ATOM 602 CB SER A 42 10.761 -5.410 4.000 1.00 0.00 C ATOM 603 OG SER A 42 11.716 -6.293 3.416 1.00 0.00 O ATOM 0 H SER A 42 9.497 -6.627 2.229 1.00 0.00 H new ATOM 0 HA SER A 42 9.070 -4.231 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.278 -4.667 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.109 -5.972 4.669 1.00 0.00 H new ATOM 0 HG SER A 42 11.251 -7.047 2.996 1.00 0.00 H new ATOM 609 N ARG A 43 11.689 -4.083 1.432 1.00 0.00 N ATOM 610 CA ARG A 43 12.551 -3.174 0.697 1.00 0.00 C ATOM 611 C ARG A 43 11.729 -2.033 0.093 1.00 0.00 C ATOM 612 O ARG A 43 12.188 -0.894 0.037 1.00 0.00 O ATOM 613 CB ARG A 43 13.295 -3.905 -0.423 1.00 0.00 C ATOM 614 CG ARG A 43 14.801 -3.935 -0.152 1.00 0.00 C ATOM 615 CD ARG A 43 15.595 -3.800 -1.452 1.00 0.00 C ATOM 616 NE ARG A 43 17.033 -4.040 -1.194 1.00 0.00 N ATOM 617 CZ ARG A 43 17.853 -3.146 -0.624 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.382 -1.949 -0.250 1.00 0.00 N ATOM 619 NH2 ARG A 43 19.143 -3.450 -0.430 1.00 0.00 N ATOM 0 H ARG A 43 11.880 -5.073 1.275 1.00 0.00 H new ATOM 0 HA ARG A 43 13.280 -2.769 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.917 -4.924 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.103 -3.411 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.068 -3.125 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.066 -4.868 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.225 -4.513 -2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.454 -2.804 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 43 17.424 -4.942 -1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.400 -1.718 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.006 -1.268 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.501 -4.361 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.768 -2.770 0.004 1.00 0.00 H new ATOM 633 N ARG A 44 10.527 -2.381 -0.344 1.00 0.00 N ATOM 634 CA ARG A 44 9.636 -1.400 -0.941 1.00 0.00 C ATOM 635 C ARG A 44 9.095 -0.452 0.131 1.00 0.00 C ATOM 636 O ARG A 44 9.134 0.766 -0.036 1.00 0.00 O ATOM 637 CB ARG A 44 8.462 -2.082 -1.648 1.00 0.00 C ATOM 638 CG ARG A 44 8.956 -3.166 -2.608 1.00 0.00 C ATOM 639 CD ARG A 44 9.724 -2.552 -3.780 1.00 0.00 C ATOM 640 NE ARG A 44 10.907 -3.382 -4.101 1.00 0.00 N ATOM 641 CZ ARG A 44 11.760 -3.120 -5.099 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.568 -2.049 -5.881 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.807 -3.928 -5.316 1.00 0.00 N ATOM 0 H ARG A 44 10.150 -3.327 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 44 10.210 -0.834 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.794 -2.523 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.883 -1.340 -2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.599 -3.865 -2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.108 -3.738 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.074 -2.478 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.038 -1.539 -3.529 1.00 0.00 H new ATOM 0 HE ARG A 44 11.083 -4.205 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.772 -1.433 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.218 -1.850 -6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.954 -4.743 -4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.457 -3.728 -6.077 1.00 0.00 H new ATOM 657 N LEU A 45 8.603 -1.046 1.208 1.00 0.00 N ATOM 658 CA LEU A 45 8.056 -0.269 2.307 1.00 0.00 C ATOM 659 C LEU A 45 9.041 0.840 2.683 1.00 0.00 C ATOM 660 O LEU A 45 8.672 2.012 2.734 1.00 0.00 O ATOM 661 CB LEU A 45 7.683 -1.183 3.476 1.00 0.00 C ATOM 662 CG LEU A 45 6.770 -2.364 3.140 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.168 -2.970 4.409 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.692 -1.954 2.134 1.00 0.00 C ATOM 0 H LEU A 45 8.572 -2.057 1.343 1.00 0.00 H new ATOM 0 HA LEU A 45 7.129 0.218 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.602 -1.573 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.196 -0.580 4.242 1.00 0.00 H new ATOM 0 HG LEU A 45 7.374 -3.139 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.523 -3.807 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.969 -3.322 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.582 -2.213 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.057 -2.811 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.086 -1.153 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.165 -1.606 1.216 1.00 0.00 H new ATOM 676 N ALA A 46 10.275 0.430 2.936 1.00 0.00 N ATOM 677 CA ALA A 46 11.316 1.374 3.306 1.00 0.00 C ATOM 678 C ALA A 46 11.217 2.611 2.412 1.00 0.00 C ATOM 679 O ALA A 46 11.438 3.731 2.869 1.00 0.00 O ATOM 680 CB ALA A 46 12.682 0.691 3.209 1.00 0.00 C ATOM 0 H ALA A 46 10.578 -0.543 2.892 1.00 0.00 H new ATOM 0 HA ALA A 46 11.189 1.702 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.463 1.399 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.710 -0.164 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.847 0.351 2.187 1.00 0.00 H new ATOM 686 N LEU A 47 10.886 2.367 1.152 1.00 0.00 N ATOM 687 CA LEU A 47 10.755 3.447 0.190 1.00 0.00 C ATOM 688 C LEU A 47 9.404 4.138 0.385 1.00 0.00 C ATOM 689 O LEU A 47 9.347 5.348 0.603 1.00 0.00 O ATOM 690 CB LEU A 47 10.981 2.929 -1.232 1.00 0.00 C ATOM 691 CG LEU A 47 11.439 3.966 -2.259 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.761 3.303 -3.600 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.407 5.085 -2.406 1.00 0.00 C ATOM 0 H LEU A 47 10.705 1.436 0.776 1.00 0.00 H new ATOM 0 HA LEU A 47 11.525 4.200 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.724 2.132 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.052 2.482 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 47 12.359 4.423 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.084 4.062 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.557 2.572 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.871 2.803 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.757 5.809 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.457 4.663 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.270 5.582 -1.446 1.00 0.00 H new ATOM 705 N LEU A 48 8.350 3.340 0.301 1.00 0.00 N ATOM 706 CA LEU A 48 7.003 3.860 0.466 1.00 0.00 C ATOM 707 C LEU A 48 6.984 4.855 1.628 1.00 0.00 C ATOM 708 O LEU A 48 6.537 5.990 1.471 1.00 0.00 O ATOM 709 CB LEU A 48 6.002 2.714 0.621 1.00 0.00 C ATOM 710 CG LEU A 48 4.676 3.069 1.297 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.033 4.290 0.637 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.732 1.865 1.319 1.00 0.00 C ATOM 0 H LEU A 48 8.401 2.337 0.121 1.00 0.00 H new ATOM 0 HA LEU A 48 6.693 4.405 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.786 2.310 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.477 1.918 1.194 1.00 0.00 H new ATOM 0 HG LEU A 48 4.882 3.335 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.092 4.520 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.706 5.144 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.842 4.077 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.797 2.144 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.528 1.544 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.197 1.048 1.870 1.00 0.00 H new ATOM 724 N ARG A 49 7.475 4.394 2.769 1.00 0.00 N ATOM 725 CA ARG A 49 7.520 5.229 3.957 1.00 0.00 C ATOM 726 C ARG A 49 8.355 6.483 3.692 1.00 0.00 C ATOM 727 O ARG A 49 7.863 7.602 3.831 1.00 0.00 O ATOM 728 CB ARG A 49 8.116 4.468 5.143 1.00 0.00 C ATOM 729 CG ARG A 49 8.207 5.365 6.379 1.00 0.00 C ATOM 730 CD ARG A 49 9.523 5.136 7.126 1.00 0.00 C ATOM 731 NE ARG A 49 10.009 6.412 7.698 1.00 0.00 N ATOM 732 CZ ARG A 49 11.219 6.576 8.250 1.00 0.00 C ATOM 733 NH1 ARG A 49 12.074 5.545 8.308 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.574 7.770 8.743 1.00 0.00 N ATOM 0 H ARG A 49 7.845 3.452 2.896 1.00 0.00 H new ATOM 0 HA ARG A 49 6.497 5.515 4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.501 3.596 5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.108 4.100 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.131 6.411 6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.367 5.161 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.377 4.404 7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.270 4.725 6.447 1.00 0.00 H new ATOM 0 HE ARG A 49 9.383 7.217 7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.803 4.636 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.995 5.669 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.923 8.554 8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.495 7.895 9.163 1.00 0.00 H new ATOM 748 N GLU A 50 9.605 6.255 3.316 1.00 0.00 N ATOM 749 CA GLU A 50 10.513 7.353 3.031 1.00 0.00 C ATOM 750 C GLU A 50 9.832 8.384 2.129 1.00 0.00 C ATOM 751 O GLU A 50 9.788 9.569 2.458 1.00 0.00 O ATOM 752 CB GLU A 50 11.809 6.842 2.399 1.00 0.00 C ATOM 753 CG GLU A 50 12.711 6.189 3.449 1.00 0.00 C ATOM 754 CD GLU A 50 13.870 5.441 2.787 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.574 4.558 1.954 1.00 0.00 O ATOM 756 OE2 GLU A 50 15.027 5.771 3.129 1.00 0.00 O ATOM 0 H GLU A 50 10.010 5.326 3.202 1.00 0.00 H new ATOM 0 HA GLU A 50 10.773 7.838 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.576 6.121 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.337 7.669 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.103 6.952 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.127 5.498 4.056 1.00 0.00 H new ATOM 763 N GLN A 51 9.319 7.896 1.009 1.00 0.00 N ATOM 764 CA GLN A 51 8.643 8.761 0.057 1.00 0.00 C ATOM 765 C GLN A 51 7.460 9.465 0.726 1.00 0.00 C ATOM 766 O GLN A 51 7.181 10.627 0.437 1.00 0.00 O ATOM 767 CB GLN A 51 8.188 7.973 -1.173 1.00 0.00 C ATOM 768 CG GLN A 51 9.024 8.341 -2.400 1.00 0.00 C ATOM 769 CD GLN A 51 8.179 8.287 -3.675 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.528 9.244 -4.060 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.226 7.117 -4.306 1.00 0.00 N ATOM 0 H GLN A 51 9.358 6.913 0.740 1.00 0.00 H new ATOM 0 HA GLN A 51 9.349 9.520 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.274 6.904 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.136 8.177 -1.371 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.438 9.342 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.867 7.656 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.792 6.357 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.696 6.980 -5.167 1.00 0.00 H new ATOM 780 N TRP A 52 6.797 8.730 1.607 1.00 0.00 N ATOM 781 CA TRP A 52 5.651 9.269 2.319 1.00 0.00 C ATOM 782 C TRP A 52 6.138 10.430 3.189 1.00 0.00 C ATOM 783 O TRP A 52 5.714 11.569 3.004 1.00 0.00 O ATOM 784 CB TRP A 52 4.942 8.177 3.122 1.00 0.00 C ATOM 785 CG TRP A 52 3.616 8.623 3.742 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.398 9.650 4.575 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.324 8.010 3.543 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.067 9.743 4.926 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.393 8.714 4.278 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.955 6.897 2.767 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.033 8.384 4.311 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.593 6.580 2.810 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.358 7.279 3.545 1.00 0.00 C ATOM 0 H TRP A 52 7.032 7.766 1.844 1.00 0.00 H new ATOM 0 HA TRP A 52 4.905 9.647 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.758 7.323 2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.606 7.835 3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.168 10.321 4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.653 10.439 5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.667 6.332 2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.676 8.951 4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.257 5.732 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.393 6.971 3.525 1.00 0.00 H new ATOM 804 N ALA A 53 7.022 10.100 4.119 1.00 0.00 N ATOM 805 CA ALA A 53 7.571 11.101 5.018 1.00 0.00 C ATOM 806 C ALA A 53 8.240 12.205 4.197 1.00 0.00 C ATOM 807 O ALA A 53 7.853 13.369 4.284 1.00 0.00 O ATOM 808 CB ALA A 53 8.540 10.433 5.995 1.00 0.00 C ATOM 0 H ALA A 53 7.372 9.154 4.269 1.00 0.00 H new ATOM 0 HA ALA A 53 6.779 11.562 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.952 11.184 6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.009 9.677 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.350 9.961 5.439 1.00 0.00 H new ATOM 814 N GLY A 54 9.234 11.801 3.419 1.00 0.00 N ATOM 815 CA GLY A 54 9.960 12.742 2.583 1.00 0.00 C ATOM 816 C GLY A 54 9.024 13.814 2.023 1.00 0.00 C ATOM 817 O GLY A 54 9.433 14.956 1.820 1.00 0.00 O ATOM 0 H GLY A 54 9.553 10.835 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.752 13.214 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.440 12.209 1.762 1.00 0.00 H new ATOM 821 N GLY A 55 7.785 13.408 1.789 1.00 0.00 N ATOM 822 CA GLY A 55 6.787 14.320 1.256 1.00 0.00 C ATOM 823 C GLY A 55 6.803 14.317 -0.274 1.00 0.00 C ATOM 824 O GLY A 55 6.477 15.323 -0.904 1.00 0.00 O ATOM 0 H GLY A 55 7.449 12.460 1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.798 14.032 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.978 15.328 1.623 1.00 0.00 H new ATOM 828 N LYS A 56 7.185 13.176 -0.828 1.00 0.00 N ATOM 829 CA LYS A 56 7.248 13.029 -2.272 1.00 0.00 C ATOM 830 C LYS A 56 5.882 12.581 -2.795 1.00 0.00 C ATOM 831 O LYS A 56 5.528 12.861 -3.939 1.00 0.00 O ATOM 832 CB LYS A 56 8.394 12.095 -2.666 1.00 0.00 C ATOM 833 CG LYS A 56 9.698 12.874 -2.848 1.00 0.00 C ATOM 834 CD LYS A 56 10.170 12.820 -4.303 1.00 0.00 C ATOM 835 CE LYS A 56 10.818 11.471 -4.619 1.00 0.00 C ATOM 836 NZ LYS A 56 11.424 11.491 -5.969 1.00 0.00 N ATOM 0 H LYS A 56 7.454 12.344 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 56 7.472 13.986 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.526 11.332 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.144 11.577 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.551 13.911 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.467 12.460 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.324 12.986 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.884 13.623 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.581 11.244 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.071 10.679 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.860 10.568 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.688 11.686 -6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.151 12.233 -6.012 1.00 0.00 H new ATOM 850 N LEU A 57 5.150 11.892 -1.931 1.00 0.00 N ATOM 851 CA LEU A 57 3.831 11.402 -2.291 1.00 0.00 C ATOM 852 C LEU A 57 2.851 12.577 -2.339 1.00 0.00 C ATOM 853 O LEU A 57 3.104 13.625 -1.747 1.00 0.00 O ATOM 854 CB LEU A 57 3.399 10.279 -1.346 1.00 0.00 C ATOM 855 CG LEU A 57 4.382 9.117 -1.193 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.821 8.044 -0.257 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.768 8.542 -2.557 1.00 0.00 C ATOM 0 H LEU A 57 5.446 11.662 -0.982 1.00 0.00 H new ATOM 0 HA LEU A 57 3.848 10.959 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.219 10.709 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.448 9.880 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 57 5.294 9.499 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.539 7.229 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.638 8.478 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.886 7.659 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.468 7.717 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.874 8.179 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.237 9.319 -3.160 1.00 0.00 H new ATOM 869 N SER A 58 1.752 12.361 -3.048 1.00 0.00 N ATOM 870 CA SER A 58 0.734 13.389 -3.180 1.00 0.00 C ATOM 871 C SER A 58 -0.318 13.228 -2.080 1.00 0.00 C ATOM 872 O SER A 58 -0.527 12.127 -1.573 1.00 0.00 O ATOM 873 CB SER A 58 0.072 13.335 -4.558 1.00 0.00 C ATOM 874 OG SER A 58 0.979 12.901 -5.569 1.00 0.00 O ATOM 0 H SER A 58 1.545 11.490 -3.536 1.00 0.00 H new ATOM 0 HA SER A 58 1.215 14.362 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.783 12.660 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.312 14.322 -4.815 1.00 0.00 H new ATOM 0 HG SER A 58 0.518 12.878 -6.434 1.00 0.00 H new ATOM 880 N ILE A 59 -0.952 14.342 -1.744 1.00 0.00 N ATOM 881 CA ILE A 59 -1.976 14.338 -0.713 1.00 0.00 C ATOM 882 C ILE A 59 -3.069 13.335 -1.091 1.00 0.00 C ATOM 883 O ILE A 59 -3.517 12.555 -0.252 1.00 0.00 O ATOM 884 CB ILE A 59 -2.499 15.755 -0.472 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.494 16.580 0.335 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.878 15.726 0.189 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.320 17.976 -0.269 1.00 0.00 C ATOM 0 H ILE A 59 -0.776 15.253 -2.167 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.557 14.011 0.239 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.616 16.245 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.834 16.666 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.532 16.067 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.226 16.746 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.580 15.200 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.811 15.211 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.601 18.542 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.957 17.887 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.279 18.495 -0.268 1.00 0.00 H new ATOM 899 N PRO A 60 -3.477 13.391 -2.387 1.00 0.00 N ATOM 900 CA PRO A 60 -4.509 12.497 -2.885 1.00 0.00 C ATOM 901 C PRO A 60 -3.960 11.082 -3.082 1.00 0.00 C ATOM 902 O PRO A 60 -4.704 10.168 -3.432 1.00 0.00 O ATOM 903 CB PRO A 60 -4.988 13.133 -4.180 1.00 0.00 C ATOM 904 CG PRO A 60 -3.895 14.104 -4.597 1.00 0.00 C ATOM 905 CD PRO A 60 -2.969 14.302 -3.408 1.00 0.00 C ATOM 0 HA PRO A 60 -5.336 12.377 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.153 12.378 -4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.936 13.651 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.342 13.712 -5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.327 15.055 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.936 14.070 -3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.986 15.335 -3.061 1.00 0.00 H new ATOM 913 N VAL A 61 -2.663 10.947 -2.848 1.00 0.00 N ATOM 914 CA VAL A 61 -2.007 9.659 -2.995 1.00 0.00 C ATOM 915 C VAL A 61 -2.030 8.923 -1.653 1.00 0.00 C ATOM 916 O VAL A 61 -2.068 7.694 -1.616 1.00 0.00 O ATOM 917 CB VAL A 61 -0.593 9.852 -3.546 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.373 8.827 -2.949 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.587 9.786 -5.075 1.00 0.00 C ATOM 0 H VAL A 61 -2.049 11.708 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.541 9.039 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.251 10.844 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.371 8.987 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.402 8.942 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.036 7.821 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.430 9.926 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.958 8.814 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.228 10.571 -5.476 1.00 0.00 H new ATOM 929 N LYS A 62 -2.007 9.707 -0.585 1.00 0.00 N ATOM 930 CA LYS A 62 -2.025 9.145 0.755 1.00 0.00 C ATOM 931 C LYS A 62 -3.465 8.797 1.139 1.00 0.00 C ATOM 932 O LYS A 62 -3.714 7.765 1.760 1.00 0.00 O ATOM 933 CB LYS A 62 -1.338 10.091 1.742 1.00 0.00 C ATOM 934 CG LYS A 62 -0.035 10.641 1.157 1.00 0.00 C ATOM 935 CD LYS A 62 0.403 11.910 1.890 1.00 0.00 C ATOM 936 CE LYS A 62 1.552 12.601 1.153 1.00 0.00 C ATOM 937 NZ LYS A 62 1.148 13.957 0.720 1.00 0.00 N ATOM 0 H LYS A 62 -1.976 10.726 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.453 8.218 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.007 10.916 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.129 9.563 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.748 9.886 1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.171 10.857 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.441 12.594 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.715 11.659 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.423 12.665 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.845 12.008 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.264 14.042 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.152 14.119 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.744 14.665 1.195 1.00 0.00 H new ATOM 951 N LYS A 63 -4.376 9.679 0.752 1.00 0.00 N ATOM 952 CA LYS A 63 -5.784 9.478 1.047 1.00 0.00 C ATOM 953 C LYS A 63 -6.281 8.229 0.317 1.00 0.00 C ATOM 954 O LYS A 63 -7.061 7.452 0.868 1.00 0.00 O ATOM 955 CB LYS A 63 -6.585 10.740 0.721 1.00 0.00 C ATOM 956 CG LYS A 63 -6.868 11.553 1.986 1.00 0.00 C ATOM 957 CD LYS A 63 -5.993 12.807 2.039 1.00 0.00 C ATOM 958 CE LYS A 63 -4.561 12.459 2.452 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.549 11.802 3.778 1.00 0.00 N ATOM 0 H LYS A 63 -4.166 10.534 0.237 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.928 9.303 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.032 11.351 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.525 10.465 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.920 11.838 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.682 10.938 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.986 13.292 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.416 13.521 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.112 11.800 1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.955 13.364 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.603 11.891 4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.250 12.257 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.786 10.795 3.669 1.00 0.00 H new ATOM 973 N ARG A 64 -5.809 8.073 -0.911 1.00 0.00 N ATOM 974 CA ARG A 64 -6.196 6.931 -1.722 1.00 0.00 C ATOM 975 C ARG A 64 -5.577 5.648 -1.162 1.00 0.00 C ATOM 976 O ARG A 64 -6.154 4.569 -1.290 1.00 0.00 O ATOM 977 CB ARG A 64 -5.751 7.111 -3.174 1.00 0.00 C ATOM 978 CG ARG A 64 -6.956 7.154 -4.116 1.00 0.00 C ATOM 979 CD ARG A 64 -6.680 8.057 -5.319 1.00 0.00 C ATOM 980 NE ARG A 64 -7.941 8.336 -6.042 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.100 9.341 -6.914 1.00 0.00 C ATOM 982 NH1 ARG A 64 -7.079 10.168 -7.178 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.280 9.519 -7.524 1.00 0.00 N ATOM 0 H ARG A 64 -5.162 8.718 -1.364 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.283 6.857 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.177 8.032 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.091 6.292 -3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.190 6.146 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.831 7.518 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.227 8.991 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.966 7.577 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.739 7.725 -5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.180 10.033 -6.715 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.201 10.933 -7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.057 8.889 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.401 10.284 -8.188 1.00 0.00 H new ATOM 997 N MET A 65 -4.411 5.808 -0.553 1.00 0.00 N ATOM 998 CA MET A 65 -3.708 4.677 0.028 1.00 0.00 C ATOM 999 C MET A 65 -4.475 4.110 1.224 1.00 0.00 C ATOM 1000 O MET A 65 -4.888 2.952 1.209 1.00 0.00 O ATOM 1001 CB MET A 65 -2.314 5.118 0.477 1.00 0.00 C ATOM 1002 CG MET A 65 -1.238 4.588 -0.474 1.00 0.00 C ATOM 1003 SD MET A 65 0.086 3.839 0.458 1.00 0.00 S ATOM 1004 CE MET A 65 -0.641 2.246 0.805 1.00 0.00 C ATOM 0 H MET A 65 -3.935 6.704 -0.449 1.00 0.00 H new ATOM 0 HA MET A 65 -3.625 3.897 -0.729 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.267 6.206 0.514 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.122 4.756 1.487 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.672 3.857 -1.156 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.848 5.402 -1.085 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.909 2.190 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.535 2.114 0.196 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.077 1.460 0.571 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.642 4.953 2.233 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.352 4.551 3.435 1.00 0.00 C ATOM 1016 C ALA A 66 -6.556 3.691 3.047 1.00 0.00 C ATOM 1017 O ALA A 66 -6.844 2.689 3.700 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.755 5.794 4.230 1.00 0.00 C ATOM 0 H ALA A 66 -4.297 5.913 2.242 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.710 3.948 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.288 5.492 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.862 6.354 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.403 6.422 3.619 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.227 4.113 1.986 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.394 3.394 1.503 1.00 0.00 C ATOM 1026 C LEU A 67 -8.034 1.920 1.305 1.00 0.00 C ATOM 1027 O LEU A 67 -8.558 1.051 2.000 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.955 4.064 0.248 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.590 5.442 0.449 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.350 5.883 -0.803 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.479 5.459 1.694 1.00 0.00 C ATOM 0 H LEU A 67 -6.985 4.944 1.447 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.196 3.430 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.149 4.160 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.702 3.402 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.792 6.166 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.792 6.865 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.662 5.935 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.139 5.163 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.918 6.449 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.273 4.721 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.880 5.219 2.572 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.141 1.685 0.355 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.705 0.332 0.057 1.00 0.00 C ATOM 1045 C LEU A 68 -6.347 -0.383 1.361 1.00 0.00 C ATOM 1046 O LEU A 68 -6.739 -1.530 1.573 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.568 0.349 -0.967 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.690 -0.904 -1.015 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.994 -1.033 -2.372 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.693 -0.919 0.145 1.00 0.00 C ATOM 0 H LEU A 68 -6.708 2.409 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.512 -0.235 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.999 0.505 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.930 1.208 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.332 -1.777 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.376 -1.931 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.744 -1.101 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.366 -0.159 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.082 -1.819 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.051 -0.040 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.235 -0.908 1.091 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.606 0.324 2.202 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.191 -0.229 3.480 1.00 0.00 C ATOM 1064 C VAL A 69 -6.430 -0.620 4.289 1.00 0.00 C ATOM 1065 O VAL A 69 -6.624 -1.792 4.606 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.289 0.767 4.212 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.087 0.353 5.672 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -2.946 0.920 3.495 1.00 0.00 C ATOM 0 H VAL A 69 -5.282 1.275 2.023 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.601 -1.134 3.331 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.785 1.737 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.442 1.077 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.052 0.319 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.622 -0.632 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.324 1.633 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.442 -0.046 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.114 1.281 2.481 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.236 0.385 4.599 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.451 0.161 5.364 1.00 0.00 C ATOM 1080 C GLN A 70 -9.125 -1.139 4.921 1.00 0.00 C ATOM 1081 O GLN A 70 -9.602 -1.910 5.753 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.408 1.347 5.232 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.895 2.556 6.017 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.185 2.403 7.512 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.319 2.454 7.958 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.100 2.214 8.257 1.00 0.00 N ATOM 0 H GLN A 70 -7.071 1.356 4.334 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.183 0.068 6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.521 1.613 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.395 1.064 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.822 2.667 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.367 3.464 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.180 2.182 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.188 2.101 9.267 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.143 -1.343 3.612 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.751 -2.537 3.049 1.00 0.00 C ATOM 1097 C GLU A 71 -8.966 -3.781 3.471 1.00 0.00 C ATOM 1098 O GLU A 71 -9.534 -4.717 4.031 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.845 -2.438 1.526 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.549 -1.147 1.102 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.069 -1.312 1.146 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.530 -2.096 2.004 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.736 -0.651 0.322 1.00 0.00 O ATOM 0 H GLU A 71 -8.746 -0.702 2.925 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.766 -2.623 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.845 -2.470 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.389 -3.298 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.249 -0.332 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.238 -0.873 0.094 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.673 -3.751 3.185 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.805 -4.864 3.527 1.00 0.00 C ATOM 1112 C LEU A 72 -7.016 -5.237 4.996 1.00 0.00 C ATOM 1113 O LEU A 72 -6.863 -6.398 5.374 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.351 -4.538 3.178 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.414 -5.737 3.021 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.480 -5.549 1.824 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.641 -6.001 4.315 1.00 0.00 C ATOM 0 H LEU A 72 -7.205 -2.973 2.720 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.061 -5.742 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.340 -3.969 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.949 -3.887 3.954 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.020 -6.621 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.824 -6.415 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.071 -5.446 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.878 -4.652 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.982 -6.858 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.046 -5.124 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.343 -6.209 5.122 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.363 -4.231 5.785 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.597 -4.438 7.204 1.00 0.00 C ATOM 1131 C LEU A 73 -8.871 -5.265 7.392 1.00 0.00 C ATOM 1132 O LEU A 73 -8.893 -6.206 8.183 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.617 -3.100 7.945 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.288 -2.345 8.003 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.485 -0.930 8.550 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.247 -3.129 8.805 1.00 0.00 C ATOM 0 H LEU A 73 -7.488 -3.269 5.468 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.779 -5.008 7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.357 -2.456 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.956 -3.278 8.966 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.906 -2.247 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.525 -0.415 8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.170 -0.382 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.901 -0.983 9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.311 -2.570 8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.609 -3.279 9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.078 -4.097 8.334 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.900 -4.883 6.650 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.174 -5.577 6.724 1.00 0.00 C ATOM 1150 C HIS A 74 -11.111 -6.857 5.889 1.00 0.00 C ATOM 1151 O HIS A 74 -12.076 -7.619 5.840 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.321 -4.653 6.309 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.865 -3.805 7.434 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.157 -3.309 7.441 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.280 -3.373 8.587 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.330 -2.609 8.553 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.165 -2.650 9.262 1.00 0.00 N ATOM 0 H HIS A 74 -9.877 -4.102 5.995 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.374 -5.868 7.755 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.975 -3.998 5.509 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.130 -5.257 5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.268 -3.583 8.899 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.234 -2.096 8.846 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.001 -2.199 10.162 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.967 -7.054 5.251 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.765 -8.228 4.420 1.00 0.00 C ATOM 1167 C HIS A 75 -10.318 -7.965 3.018 1.00 0.00 C ATOM 1168 O HIS A 75 -10.251 -8.832 2.148 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.375 -9.469 5.075 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.197 -9.522 6.574 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.116 -10.122 7.417 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.197 -9.046 7.370 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.680 -10.005 8.663 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.491 -9.337 8.631 1.00 0.00 N ATOM 0 H HIS A 75 -9.170 -6.419 5.293 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.698 -8.429 4.321 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.440 -9.503 4.844 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.925 -10.358 4.634 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.316 -8.521 7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.178 -10.373 9.548 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.921 -9.100 9.443 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.853 -6.766 2.843 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.418 -6.378 1.561 1.00 0.00 C ATOM 1184 C GLN A 76 -10.312 -6.248 0.512 1.00 0.00 C ATOM 1185 O GLN A 76 -10.041 -5.152 0.024 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.214 -5.078 1.684 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.550 -5.317 2.390 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.644 -5.684 1.385 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.830 -5.037 0.367 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.355 -6.755 1.726 1.00 0.00 N ATOM 0 H GLN A 76 -10.907 -6.050 3.567 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.108 -7.158 1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.632 -4.342 2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.392 -4.661 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.440 -6.117 3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.841 -4.421 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.147 -7.251 2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.109 -7.081 1.121 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.704 -7.381 0.195 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.634 -7.407 -0.787 1.00 0.00 C ATOM 1201 C TRP A 77 -9.196 -6.888 -2.112 1.00 0.00 C ATOM 1202 O TRP A 77 -8.559 -6.081 -2.788 1.00 0.00 O ATOM 1203 CB TRP A 77 -8.028 -8.808 -0.902 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.234 -9.678 0.339 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -9.160 -10.625 0.539 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.453 -9.643 1.553 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -9.035 -11.200 1.787 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.964 -10.584 2.423 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.352 -8.842 1.903 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.437 -10.813 3.700 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.837 -9.083 3.183 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.340 -10.027 4.071 1.00 0.00 C ATOM 0 H TRP A 77 -9.932 -8.288 0.601 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.813 -6.760 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.465 -9.312 -1.764 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.959 -8.716 -1.095 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.911 -10.904 -0.186 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.621 -11.941 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.936 -8.100 1.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.855 -11.556 4.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.990 -8.494 3.503 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.886 -10.153 5.043 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.383 -7.373 -2.445 1.00 0.00 N ATOM 1224 CA ASP A 78 -11.038 -6.969 -3.677 1.00 0.00 C ATOM 1225 C ASP A 78 -11.009 -5.443 -3.788 1.00 0.00 C ATOM 1226 O ASP A 78 -10.709 -4.900 -4.850 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.501 -7.416 -3.696 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.777 -8.692 -4.495 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.640 -9.779 -3.893 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.118 -8.551 -5.689 1.00 0.00 O ATOM 0 H ASP A 78 -10.908 -8.042 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.508 -7.434 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.832 -7.570 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.107 -6.609 -4.108 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.325 -4.795 -2.677 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.339 -3.342 -2.636 1.00 0.00 C ATOM 1237 C ALA A 79 -9.911 -2.818 -2.798 1.00 0.00 C ATOM 1238 O ALA A 79 -9.650 -1.970 -3.650 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.987 -2.875 -1.331 1.00 0.00 C ATOM 0 H ALA A 79 -11.573 -5.249 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.933 -2.940 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.998 -1.786 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.009 -3.250 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.416 -3.257 -0.484 1.00 0.00 H new ATOM 1245 N ALA A 80 -9.023 -3.345 -1.967 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.628 -2.941 -2.008 1.00 0.00 C ATOM 1247 C ALA A 80 -7.183 -2.807 -3.466 1.00 0.00 C ATOM 1248 O ALA A 80 -6.674 -1.763 -3.870 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.781 -3.950 -1.230 1.00 0.00 C ATOM 0 H ALA A 80 -9.243 -4.048 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.496 -1.969 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.734 -3.647 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.118 -3.986 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.886 -4.937 -1.680 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.391 -3.879 -4.216 1.00 0.00 N ATOM 1256 CA ASP A 81 -7.017 -3.895 -5.620 1.00 0.00 C ATOM 1257 C ASP A 81 -7.629 -2.679 -6.319 1.00 0.00 C ATOM 1258 O ASP A 81 -6.910 -1.858 -6.887 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.540 -5.153 -6.315 1.00 0.00 C ATOM 1260 CG ASP A 81 -7.365 -5.172 -7.835 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -8.093 -4.404 -8.500 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.506 -5.954 -8.297 1.00 0.00 O ATOM 0 H ASP A 81 -7.814 -4.743 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.929 -3.877 -5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.031 -6.020 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.600 -5.263 -6.085 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.950 -2.602 -6.255 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.666 -1.500 -6.875 1.00 0.00 C ATOM 1269 C ASP A 82 -8.899 -0.199 -6.633 1.00 0.00 C ATOM 1270 O ASP A 82 -8.406 0.419 -7.576 1.00 0.00 O ATOM 1271 CB ASP A 82 -11.064 -1.344 -6.272 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.168 -1.011 -7.278 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.360 -1.831 -8.202 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.796 0.055 -7.100 1.00 0.00 O ATOM 0 H ASP A 82 -9.543 -3.285 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.754 -1.711 -7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.327 -2.269 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.032 -0.559 -5.517 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.822 0.179 -5.366 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.124 1.396 -4.989 1.00 0.00 C ATOM 1281 C ILE A 83 -6.715 1.376 -5.586 1.00 0.00 C ATOM 1282 O ILE A 83 -6.301 2.331 -6.241 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.145 1.578 -3.470 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.581 1.673 -2.949 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.302 2.783 -3.050 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.706 1.031 -1.566 1.00 0.00 C ATOM 0 H ILE A 83 -9.232 -0.336 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.633 2.269 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.695 0.696 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.884 2.719 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.258 1.179 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.334 2.889 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.271 2.635 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.700 3.685 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.736 1.112 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.425 -0.020 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.046 1.543 -0.866 1.00 0.00 H new ATOM 1298 N HIS A 84 -6.017 0.277 -5.338 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.664 0.120 -5.843 1.00 0.00 C ATOM 1300 C HIS A 84 -4.594 0.621 -7.287 1.00 0.00 C ATOM 1301 O HIS A 84 -3.822 1.528 -7.596 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.193 -1.328 -5.695 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.236 -1.777 -6.773 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.227 -3.065 -7.279 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.259 -1.095 -7.437 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.282 -3.144 -8.204 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.683 -1.923 -8.300 1.00 0.00 N ATOM 0 H HIS A 84 -6.364 -0.513 -4.794 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.979 0.726 -5.251 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.711 -1.445 -4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -5.063 -1.984 -5.700 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.843 -3.824 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.998 -0.058 -7.286 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.030 -4.022 -8.781 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.410 0.010 -8.132 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.449 0.382 -9.536 1.00 0.00 C ATOM 1317 C ARG A 85 -5.569 1.901 -9.679 1.00 0.00 C ATOM 1318 O ARG A 85 -4.742 2.533 -10.334 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.627 -0.284 -10.250 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.400 -1.791 -10.394 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.500 -2.097 -11.592 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.994 -3.486 -11.503 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.697 -4.566 -11.871 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -6.939 -4.424 -12.355 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -5.158 -5.787 -11.755 1.00 0.00 N ATOM 0 H ARG A 85 -6.050 -0.741 -7.872 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.521 0.042 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.545 -0.103 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.760 0.163 -11.235 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.946 -2.183 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.358 -2.297 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.057 -1.963 -12.519 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.664 -1.398 -11.618 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.052 -3.630 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.349 -3.494 -12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.474 -5.246 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.213 -5.894 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.693 -6.609 -12.035 1.00 0.00 H new ATOM 1339 N SER A 86 -6.605 2.442 -9.055 1.00 0.00 N ATOM 1340 CA SER A 86 -6.843 3.875 -9.104 1.00 0.00 C ATOM 1341 C SER A 86 -5.523 4.631 -8.944 1.00 0.00 C ATOM 1342 O SER A 86 -5.273 5.607 -9.649 1.00 0.00 O ATOM 1343 CB SER A 86 -7.836 4.305 -8.022 1.00 0.00 C ATOM 1344 OG SER A 86 -9.004 3.489 -8.014 1.00 0.00 O ATOM 0 H SER A 86 -7.289 1.914 -8.513 1.00 0.00 H new ATOM 0 HA SER A 86 -7.277 4.117 -10.074 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.353 4.256 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.121 5.344 -8.184 1.00 0.00 H new ATOM 0 HG SER A 86 -9.612 3.795 -7.309 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.712 4.151 -8.013 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.423 4.769 -7.751 1.00 0.00 C ATOM 1352 C LEU A 87 -2.474 4.471 -8.913 1.00 0.00 C ATOM 1353 O LEU A 87 -1.791 5.366 -9.407 1.00 0.00 O ATOM 1354 CB LEU A 87 -2.885 4.329 -6.389 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.086 5.317 -5.237 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -2.746 4.669 -3.893 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.291 6.602 -5.471 1.00 0.00 C ATOM 0 H LEU A 87 -4.923 3.341 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.525 5.853 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.361 3.386 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.818 4.130 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.140 5.593 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.897 5.392 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.393 3.807 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.705 4.346 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.452 7.286 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.230 6.365 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.624 7.072 -6.396 1.00 0.00 H new ATOM 1369 N MET A 88 -2.462 3.209 -9.317 1.00 0.00 N ATOM 1370 CA MET A 88 -1.608 2.781 -10.411 1.00 0.00 C ATOM 1371 C MET A 88 -2.071 3.388 -11.737 1.00 0.00 C ATOM 1372 O MET A 88 -1.386 3.268 -12.752 1.00 0.00 O ATOM 1373 CB MET A 88 -1.633 1.254 -10.512 1.00 0.00 C ATOM 1374 CG MET A 88 -0.416 0.639 -9.818 1.00 0.00 C ATOM 1375 SD MET A 88 0.301 -0.627 -10.852 1.00 0.00 S ATOM 1376 CE MET A 88 1.968 -0.005 -10.992 1.00 0.00 C ATOM 0 H MET A 88 -3.031 2.469 -8.906 1.00 0.00 H new ATOM 0 HA MET A 88 -0.593 3.124 -10.210 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.547 0.871 -10.058 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.648 0.955 -11.560 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.324 1.412 -9.610 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.711 0.213 -8.859 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.158 0.297 -12.022 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.092 0.854 -10.333 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.673 -0.786 -10.707 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.231 4.027 -11.686 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.793 4.653 -12.871 1.00 0.00 C ATOM 1388 C VAL A 89 -3.132 6.015 -13.085 1.00 0.00 C ATOM 1389 O VAL A 89 -2.525 6.258 -14.127 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.315 4.740 -12.744 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.916 5.552 -13.893 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.941 3.346 -12.672 1.00 0.00 C ATOM 0 H VAL A 89 -3.797 4.125 -10.843 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.588 4.050 -13.756 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.543 5.258 -11.812 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.999 5.598 -13.778 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.506 6.562 -13.878 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.672 5.075 -14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.023 3.437 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.698 2.791 -13.578 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.548 2.815 -11.805 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.272 6.870 -12.082 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.695 8.202 -12.147 1.00 0.00 C ATOM 1404 C ASP A 90 -1.333 8.198 -11.450 1.00 0.00 C ATOM 1405 O ASP A 90 -0.298 8.319 -12.102 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.587 9.223 -11.438 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.866 9.596 -12.189 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -4.872 9.415 -13.426 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.810 10.054 -11.509 1.00 0.00 O ATOM 0 H ASP A 90 -3.777 6.666 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.597 8.477 -13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.860 8.827 -10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.008 10.130 -11.264 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.379 8.058 -10.133 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.161 8.037 -9.340 1.00 0.00 C ATOM 1416 C HIS A 91 0.507 6.667 -9.463 1.00 0.00 C ATOM 1417 O HIS A 91 0.659 5.955 -8.471 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.451 8.429 -7.890 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.438 9.562 -7.744 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.064 10.893 -7.795 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.788 9.548 -7.551 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.148 11.638 -7.637 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.216 10.803 -7.485 1.00 0.00 N ATOM 0 H HIS A 91 -2.240 7.958 -9.595 1.00 0.00 H new ATOM 0 HA HIS A 91 0.540 8.779 -9.722 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.833 7.557 -7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.484 8.712 -7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.405 8.665 -7.466 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.180 12.717 -7.630 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.183 11.095 -7.344 1.00 0.00 H new ATOM 1431 N VAL A 92 0.890 6.338 -10.688 1.00 0.00 N ATOM 1432 CA VAL A 92 1.539 5.065 -10.953 1.00 0.00 C ATOM 1433 C VAL A 92 3.042 5.202 -10.701 1.00 0.00 C ATOM 1434 O VAL A 92 3.629 4.398 -9.979 1.00 0.00 O ATOM 1435 CB VAL A 92 1.211 4.596 -12.371 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.027 5.370 -13.408 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.431 3.088 -12.515 1.00 0.00 C ATOM 0 H VAL A 92 0.763 6.931 -11.508 1.00 0.00 H new ATOM 0 HA VAL A 92 1.164 4.297 -10.276 1.00 0.00 H new ATOM 0 HB VAL A 92 0.156 4.800 -12.555 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.774 5.016 -14.408 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.799 6.433 -13.331 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.090 5.213 -13.226 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.190 2.781 -13.533 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.473 2.850 -12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.786 2.558 -11.814 1.00 0.00 H new ATOM 1447 N THR A 93 3.621 6.226 -11.310 1.00 0.00 N ATOM 1448 CA THR A 93 5.044 6.478 -11.161 1.00 0.00 C ATOM 1449 C THR A 93 5.374 6.829 -9.709 1.00 0.00 C ATOM 1450 O THR A 93 6.494 6.606 -9.252 1.00 0.00 O ATOM 1451 CB THR A 93 5.437 7.573 -12.155 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.907 6.856 -13.294 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.654 8.375 -11.692 1.00 0.00 C ATOM 0 H THR A 93 3.130 6.891 -11.908 1.00 0.00 H new ATOM 0 HA THR A 93 5.629 5.587 -11.388 1.00 0.00 H new ATOM 0 HB THR A 93 4.593 8.247 -12.304 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.181 7.490 -13.989 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.890 9.138 -12.433 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.433 8.852 -10.737 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.507 7.707 -11.575 1.00 0.00 H new ATOM 1461 N GLU A 94 4.379 7.372 -9.024 1.00 0.00 N ATOM 1462 CA GLU A 94 4.549 7.756 -7.633 1.00 0.00 C ATOM 1463 C GLU A 94 4.553 6.515 -6.737 1.00 0.00 C ATOM 1464 O GLU A 94 5.450 6.344 -5.913 1.00 0.00 O ATOM 1465 CB GLU A 94 3.463 8.742 -7.199 1.00 0.00 C ATOM 1466 CG GLU A 94 3.916 10.187 -7.419 1.00 0.00 C ATOM 1467 CD GLU A 94 5.040 10.563 -6.451 1.00 0.00 C ATOM 1468 OE1 GLU A 94 6.204 10.254 -6.786 1.00 0.00 O ATOM 1469 OE2 GLU A 94 4.710 11.150 -5.399 1.00 0.00 O ATOM 0 H GLU A 94 3.451 7.555 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 94 5.511 8.258 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.549 8.554 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.226 8.588 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.259 10.312 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.071 10.862 -7.281 1.00 0.00 H new ATOM 1476 N VAL A 95 3.540 5.683 -6.929 1.00 0.00 N ATOM 1477 CA VAL A 95 3.416 4.464 -6.148 1.00 0.00 C ATOM 1478 C VAL A 95 4.508 3.479 -6.570 1.00 0.00 C ATOM 1479 O VAL A 95 4.965 2.670 -5.764 1.00 0.00 O ATOM 1480 CB VAL A 95 2.005 3.890 -6.295 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.950 4.911 -5.861 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.752 3.416 -7.727 1.00 0.00 C ATOM 0 H VAL A 95 2.798 5.829 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 95 3.559 4.674 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 95 1.925 3.025 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.044 4.478 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.111 5.179 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.031 5.804 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.742 3.013 -7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.860 4.256 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.473 2.641 -7.986 1.00 0.00 H new ATOM 1492 N SER A 96 4.895 3.580 -7.834 1.00 0.00 N ATOM 1493 CA SER A 96 5.925 2.708 -8.373 1.00 0.00 C ATOM 1494 C SER A 96 7.178 2.776 -7.498 1.00 0.00 C ATOM 1495 O SER A 96 7.264 3.605 -6.593 1.00 0.00 O ATOM 1496 CB SER A 96 6.263 3.083 -9.817 1.00 0.00 C ATOM 1497 OG SER A 96 6.925 4.342 -9.900 1.00 0.00 O ATOM 0 H SER A 96 4.514 4.252 -8.500 1.00 0.00 H new ATOM 0 HA SER A 96 5.545 1.687 -8.372 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.896 2.311 -10.253 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.347 3.115 -10.407 1.00 0.00 H new ATOM 0 HG SER A 96 6.762 4.852 -9.079 1.00 0.00 H new ATOM 1503 N GLN A 97 8.120 1.894 -7.800 1.00 0.00 N ATOM 1504 CA GLN A 97 9.365 1.844 -7.052 1.00 0.00 C ATOM 1505 C GLN A 97 9.144 1.169 -5.697 1.00 0.00 C ATOM 1506 O GLN A 97 10.080 1.024 -4.912 1.00 0.00 O ATOM 1507 CB GLN A 97 9.956 3.244 -6.878 1.00 0.00 C ATOM 1508 CG GLN A 97 11.341 3.339 -7.521 1.00 0.00 C ATOM 1509 CD GLN A 97 12.230 4.329 -6.766 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.142 5.534 -6.932 1.00 0.00 O ATOM 1511 NE2 GLN A 97 13.090 3.755 -5.929 1.00 0.00 N ATOM 0 H GLN A 97 8.046 1.209 -8.552 1.00 0.00 H new ATOM 0 HA GLN A 97 10.083 1.250 -7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.291 3.982 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.027 3.483 -5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.811 2.355 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.243 3.653 -8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.112 2.739 -5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.727 4.331 -5.379 1.00 0.00 H new ATOM 1520 N TRP A 98 7.901 0.774 -5.464 1.00 0.00 N ATOM 1521 CA TRP A 98 7.545 0.118 -4.218 1.00 0.00 C ATOM 1522 C TRP A 98 6.187 -0.559 -4.410 1.00 0.00 C ATOM 1523 O TRP A 98 5.996 -1.703 -4.002 1.00 0.00 O ATOM 1524 CB TRP A 98 7.559 1.110 -3.053 1.00 0.00 C ATOM 1525 CG TRP A 98 6.613 2.299 -3.236 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.867 3.469 -3.839 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.245 2.387 -2.787 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.766 4.301 -3.811 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.748 3.622 -3.151 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.452 1.453 -2.096 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.442 4.036 -2.867 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.149 1.883 -1.820 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.634 3.123 -2.179 1.00 0.00 C ATOM 0 H TRP A 98 7.128 0.896 -6.118 1.00 0.00 H new ATOM 0 HA TRP A 98 8.280 -0.645 -3.960 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.291 0.583 -2.137 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.574 1.484 -2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.814 3.728 -4.290 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.710 5.241 -4.203 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.820 0.481 -1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.077 5.008 -3.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.498 1.203 -1.291 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.616 3.381 -1.928 1.00 0.00 H new ATOM 1544 N MET A 99 5.277 0.178 -5.032 1.00 0.00 N ATOM 1545 CA MET A 99 3.942 -0.337 -5.284 1.00 0.00 C ATOM 1546 C MET A 99 3.981 -1.837 -5.586 1.00 0.00 C ATOM 1547 O MET A 99 3.069 -2.573 -5.212 1.00 0.00 O ATOM 1548 CB MET A 99 3.323 0.407 -6.469 1.00 0.00 C ATOM 1549 CG MET A 99 1.977 -0.208 -6.860 1.00 0.00 C ATOM 1550 SD MET A 99 0.653 0.925 -6.472 1.00 0.00 S ATOM 1551 CE MET A 99 0.634 0.782 -4.692 1.00 0.00 C ATOM 0 H MET A 99 5.439 1.127 -5.368 1.00 0.00 H new ATOM 0 HA MET A 99 3.338 -0.181 -4.390 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.186 1.457 -6.212 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.003 0.373 -7.320 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.969 -0.439 -7.925 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.829 -1.148 -6.329 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.248 1.286 -4.296 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.607 -0.271 -4.412 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.531 1.244 -4.280 1.00 0.00 H new ATOM 1561 N VAL A 100 5.046 -2.245 -6.260 1.00 0.00 N ATOM 1562 CA VAL A 100 5.215 -3.643 -6.617 1.00 0.00 C ATOM 1563 C VAL A 100 5.041 -4.509 -5.367 1.00 0.00 C ATOM 1564 O VAL A 100 4.262 -5.461 -5.370 1.00 0.00 O ATOM 1565 CB VAL A 100 6.568 -3.849 -7.302 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.620 -3.113 -8.643 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.716 -3.410 -6.391 1.00 0.00 C ATOM 0 H VAL A 100 5.801 -1.632 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 100 4.453 -3.948 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 100 6.686 -4.915 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.592 -3.275 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.835 -3.493 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.470 -2.046 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.666 -3.567 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.604 -2.353 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.697 -3.997 -5.473 1.00 0.00 H new ATOM 1577 N GLY A 101 5.779 -4.146 -4.328 1.00 0.00 N ATOM 1578 CA GLY A 101 5.715 -4.878 -3.074 1.00 0.00 C ATOM 1579 C GLY A 101 4.275 -4.969 -2.564 1.00 0.00 C ATOM 1580 O GLY A 101 3.736 -6.063 -2.409 1.00 0.00 O ATOM 0 H GLY A 101 6.424 -3.356 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.119 -5.881 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.338 -4.384 -2.328 1.00 0.00 H new ATOM 1584 N VAL A 102 3.693 -3.804 -2.319 1.00 0.00 N ATOM 1585 CA VAL A 102 2.327 -3.739 -1.830 1.00 0.00 C ATOM 1586 C VAL A 102 1.439 -4.641 -2.689 1.00 0.00 C ATOM 1587 O VAL A 102 0.772 -5.536 -2.172 1.00 0.00 O ATOM 1588 CB VAL A 102 1.851 -2.285 -1.800 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.381 -2.198 -1.385 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.732 -1.438 -0.879 1.00 0.00 C ATOM 0 H VAL A 102 4.143 -2.898 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 102 2.270 -4.107 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 102 1.939 -1.883 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.068 -1.154 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.231 -2.751 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.258 -2.626 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.372 -0.409 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.692 -1.840 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.761 -1.461 -1.238 1.00 0.00 H new ATOM 1600 N LYS A 103 1.459 -4.374 -3.987 1.00 0.00 N ATOM 1601 CA LYS A 103 0.664 -5.150 -4.923 1.00 0.00 C ATOM 1602 C LYS A 103 0.719 -6.628 -4.529 1.00 0.00 C ATOM 1603 O LYS A 103 -0.318 -7.261 -4.336 1.00 0.00 O ATOM 1604 CB LYS A 103 1.113 -4.880 -6.360 1.00 0.00 C ATOM 1605 CG LYS A 103 0.295 -5.707 -7.355 1.00 0.00 C ATOM 1606 CD LYS A 103 1.189 -6.682 -8.123 1.00 0.00 C ATOM 1607 CE LYS A 103 0.397 -7.907 -8.582 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.202 -8.726 -9.516 1.00 0.00 N ATOM 0 H LYS A 103 2.013 -3.631 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.382 -4.846 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.003 -3.819 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.171 -5.120 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.480 -6.260 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.211 -5.043 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.622 -6.180 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.018 -6.997 -7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.110 -8.507 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.525 -7.589 -9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.649 -9.553 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.454 -8.156 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.069 -9.045 -9.039 1.00 0.00 H new ATOM 1622 N ARG A 104 1.939 -7.134 -4.422 1.00 0.00 N ATOM 1623 CA ARG A 104 2.142 -8.525 -4.054 1.00 0.00 C ATOM 1624 C ARG A 104 1.618 -8.782 -2.640 1.00 0.00 C ATOM 1625 O ARG A 104 0.918 -9.765 -2.403 1.00 0.00 O ATOM 1626 CB ARG A 104 3.624 -8.900 -4.118 1.00 0.00 C ATOM 1627 CG ARG A 104 3.832 -10.374 -3.765 1.00 0.00 C ATOM 1628 CD ARG A 104 3.143 -11.284 -4.784 1.00 0.00 C ATOM 1629 NE ARG A 104 4.149 -12.117 -5.481 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.825 -11.725 -6.570 1.00 0.00 C ATOM 1631 NH1 ARG A 104 4.606 -10.511 -7.093 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.719 -12.547 -7.135 1.00 0.00 N ATOM 0 H ARG A 104 2.797 -6.606 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 104 1.592 -9.141 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.010 -8.704 -5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.191 -8.274 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.898 -10.598 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.437 -10.572 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.416 -11.922 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.593 -10.682 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 104 4.340 -13.048 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.925 -9.885 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.120 -10.212 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.885 -13.471 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.233 -12.249 -7.964 1.00 0.00 H new ATOM 1646 N LEU A 105 1.978 -7.882 -1.737 1.00 0.00 N ATOM 1647 CA LEU A 105 1.553 -7.999 -0.352 1.00 0.00 C ATOM 1648 C LEU A 105 0.073 -8.386 -0.309 1.00 0.00 C ATOM 1649 O LEU A 105 -0.295 -9.375 0.323 1.00 0.00 O ATOM 1650 CB LEU A 105 1.877 -6.718 0.418 1.00 0.00 C ATOM 1651 CG LEU A 105 1.695 -6.784 1.936 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.020 -6.529 2.658 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.597 -5.825 2.399 1.00 0.00 C ATOM 0 H LEU A 105 2.559 -7.068 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 105 2.105 -8.793 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.910 -6.443 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.248 -5.916 0.031 1.00 0.00 H new ATOM 0 HG LEU A 105 1.373 -7.792 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.863 -6.581 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.748 -7.284 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.394 -5.540 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.488 -5.892 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.865 -4.805 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.346 -6.094 1.922 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.735 -7.585 -0.988 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.166 -7.830 -1.035 1.00 0.00 C ATOM 1667 C ILE A 106 -2.416 -9.314 -1.311 1.00 0.00 C ATOM 1668 O ILE A 106 -3.012 -10.010 -0.490 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.838 -6.896 -2.043 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.637 -5.431 -1.651 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.317 -7.246 -2.214 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.677 -4.523 -2.882 1.00 0.00 C ATOM 0 H ILE A 106 -0.425 -6.765 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.623 -7.602 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.360 -7.039 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.413 -5.130 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.681 -5.315 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.771 -6.567 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.409 -8.271 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.827 -7.150 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.532 -3.487 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.885 -4.811 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.643 -4.623 -3.376 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.948 -9.755 -2.469 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.113 -11.143 -2.864 1.00 0.00 C ATOM 1686 C ALA A 107 -1.744 -12.050 -1.688 1.00 0.00 C ATOM 1687 O ALA A 107 -2.552 -12.871 -1.256 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.265 -11.426 -4.106 1.00 0.00 C ATOM 0 H ALA A 107 -1.454 -9.175 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.151 -11.346 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.389 -12.468 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.585 -10.777 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.216 -11.235 -3.881 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.523 -11.872 -1.205 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.038 -12.664 -0.088 1.00 0.00 C ATOM 1696 C GLU A 108 -1.057 -12.654 1.053 1.00 0.00 C ATOM 1697 O GLU A 108 -1.629 -13.690 1.389 1.00 0.00 O ATOM 1698 CB GLU A 108 1.325 -12.160 0.390 1.00 0.00 C ATOM 1699 CG GLU A 108 2.404 -12.410 -0.666 1.00 0.00 C ATOM 1700 CD GLU A 108 2.370 -13.860 -1.152 1.00 0.00 C ATOM 1701 OE1 GLU A 108 1.998 -14.725 -0.331 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.717 -14.070 -2.335 1.00 0.00 O ATOM 0 H GLU A 108 0.145 -11.191 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 108 0.089 -13.693 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.266 -11.094 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.597 -12.662 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.255 -11.736 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.386 -12.186 -0.248 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.254 -11.471 1.617 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.194 -11.312 2.713 1.00 0.00 C ATOM 1711 C LYS A 109 -3.463 -12.113 2.412 1.00 0.00 C ATOM 1712 O LYS A 109 -3.896 -12.926 3.226 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.454 -9.829 2.986 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.210 -9.153 3.567 1.00 0.00 C ATOM 1715 CD LYS A 109 -0.992 -9.564 5.024 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.103 -9.014 5.921 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.614 -10.072 6.821 1.00 0.00 N ATOM 0 H LYS A 109 -0.778 -10.614 1.335 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.774 -11.713 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.745 -9.331 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.287 -9.724 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.335 -9.422 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.317 -8.070 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.964 -10.651 5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.026 -9.196 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.723 -8.179 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.916 -8.627 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.228 -9.646 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.159 -10.765 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.815 -10.550 7.284 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.022 -11.855 1.239 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.232 -12.541 0.819 1.00 0.00 C ATOM 1733 C LYS A 110 -4.983 -14.051 0.818 1.00 0.00 C ATOM 1734 O LYS A 110 -5.780 -14.815 1.359 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.718 -11.997 -0.526 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.836 -12.871 -1.099 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.134 -12.496 -2.552 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.237 -13.384 -3.132 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.901 -12.709 -4.270 1.00 0.00 N ATOM 0 H LYS A 110 -3.659 -11.180 0.566 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.041 -12.351 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.078 -10.976 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.886 -11.958 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.547 -13.921 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.738 -12.755 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.437 -11.451 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.229 -12.597 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.813 -14.333 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.971 -13.614 -2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.647 -13.325 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.323 -11.815 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.201 -12.512 -5.013 1.00 0.00 H new ATOM 1753 N SER A 111 -3.873 -14.434 0.205 1.00 0.00 N ATOM 1754 CA SER A 111 -3.508 -15.838 0.126 1.00 0.00 C ATOM 1755 C SER A 111 -3.572 -16.474 1.517 1.00 0.00 C ATOM 1756 O SER A 111 -4.267 -17.469 1.717 1.00 0.00 O ATOM 1757 CB SER A 111 -2.112 -16.012 -0.473 1.00 0.00 C ATOM 1758 OG SER A 111 -2.130 -16.825 -1.644 1.00 0.00 O ATOM 0 H SER A 111 -3.214 -13.796 -0.242 1.00 0.00 H new ATOM 0 HA SER A 111 -4.220 -16.340 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.698 -15.034 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.452 -16.461 0.270 1.00 0.00 H new ATOM 0 HG SER A 111 -1.220 -16.910 -1.997 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.837 -15.874 2.441 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.801 -16.369 3.807 1.00 0.00 C ATOM 1766 C LEU A 112 -4.211 -16.787 4.230 1.00 0.00 C ATOM 1767 O LEU A 112 -4.442 -17.947 4.570 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.162 -15.334 4.735 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.770 -14.843 4.335 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.220 -13.853 5.364 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.182 -16.019 4.105 1.00 0.00 C ATOM 0 H LEU A 112 -2.261 -15.049 2.271 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.171 -17.256 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.826 -14.472 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.101 -15.761 5.736 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.856 -14.309 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.771 -13.520 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.886 -12.993 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.152 -14.340 6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.165 -15.642 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.268 -16.602 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.207 -16.652 3.307 1.00 0.00 H new ATOM 1783 N SER A 113 -5.116 -15.820 4.196 1.00 0.00 N ATOM 1784 CA SER A 113 -6.496 -16.074 4.572 1.00 0.00 C ATOM 1785 C SER A 113 -7.043 -17.267 3.784 1.00 0.00 C ATOM 1786 O SER A 113 -7.402 -18.288 4.367 1.00 0.00 O ATOM 1787 CB SER A 113 -7.367 -14.839 4.336 1.00 0.00 C ATOM 1788 OG SER A 113 -8.610 -14.921 5.029 1.00 0.00 O ATOM 0 H SER A 113 -4.920 -14.859 3.914 1.00 0.00 H new ATOM 0 HA SER A 113 -6.523 -16.307 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.829 -13.949 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.554 -14.726 3.268 1.00 0.00 H new ATOM 0 HG SER A 113 -9.136 -14.113 4.854 1.00 0.00 H new ATOM 1794 N GLY A 114 -7.087 -17.097 2.470 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.583 -18.147 1.597 1.00 0.00 C ATOM 1796 C GLY A 114 -9.068 -18.415 1.850 1.00 0.00 C ATOM 1797 O GLY A 114 -9.420 -19.347 2.571 1.00 0.00 O ATOM 0 H GLY A 114 -6.787 -16.248 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.434 -17.860 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.012 -19.061 1.761 1.00 0.00 H new ATOM 1801 N PRO A 115 -9.921 -17.559 1.228 1.00 0.00 N ATOM 1802 CA PRO A 115 -11.360 -17.694 1.379 1.00 0.00 C ATOM 1803 C PRO A 115 -11.889 -18.872 0.558 1.00 0.00 C ATOM 1804 O PRO A 115 -11.800 -18.869 -0.668 1.00 0.00 O ATOM 1805 CB PRO A 115 -11.930 -16.357 0.934 1.00 0.00 C ATOM 1806 CG PRO A 115 -10.837 -15.690 0.115 1.00 0.00 C ATOM 1807 CD PRO A 115 -9.541 -16.443 0.366 1.00 0.00 C ATOM 0 HA PRO A 115 -11.656 -17.917 2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.833 -16.496 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.204 -15.744 1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.090 -15.708 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.732 -14.643 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.101 -16.795 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.800 -15.805 0.848 1.00 0.00 H new ATOM 1815 N SER A 116 -12.429 -19.852 1.269 1.00 0.00 N ATOM 1816 CA SER A 116 -12.972 -21.034 0.622 1.00 0.00 C ATOM 1817 C SER A 116 -11.867 -21.768 -0.141 1.00 0.00 C ATOM 1818 O SER A 116 -11.186 -21.175 -0.977 1.00 0.00 O ATOM 1819 CB SER A 116 -14.117 -20.667 -0.324 1.00 0.00 C ATOM 1820 OG SER A 116 -15.280 -20.246 0.383 1.00 0.00 O ATOM 0 H SER A 116 -12.502 -19.851 2.286 1.00 0.00 H new ATOM 0 HA SER A 116 -13.371 -21.693 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.792 -19.871 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.363 -21.527 -0.946 1.00 0.00 H new ATOM 0 HG SER A 116 -15.987 -20.019 -0.256 1.00 0.00 H new ATOM 1826 N SER A 117 -11.723 -23.046 0.174 1.00 0.00 N ATOM 1827 CA SER A 117 -10.712 -23.867 -0.471 1.00 0.00 C ATOM 1828 C SER A 117 -10.897 -23.826 -1.989 1.00 0.00 C ATOM 1829 O SER A 117 -12.019 -23.922 -2.485 1.00 0.00 O ATOM 1830 CB SER A 117 -10.771 -25.310 0.032 1.00 0.00 C ATOM 1831 OG SER A 117 -10.754 -25.381 1.455 1.00 0.00 O ATOM 0 H SER A 117 -12.290 -23.534 0.868 1.00 0.00 H new ATOM 0 HA SER A 117 -9.731 -23.463 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 117 -11.676 -25.788 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.925 -25.868 -0.369 1.00 0.00 H new ATOM 0 HG SER A 117 -10.795 -26.319 1.736 1.00 0.00 H new ATOM 1837 N GLY A 118 -9.779 -23.684 -2.686 1.00 0.00 N ATOM 1838 CA GLY A 118 -9.803 -23.630 -4.137 1.00 0.00 C ATOM 1839 C GLY A 118 -9.080 -24.834 -4.743 1.00 0.00 C ATOM 1840 O GLY A 118 -8.155 -24.672 -5.538 1.00 0.00 O ATOM 0 H GLY A 118 -8.850 -23.605 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -10.835 -23.608 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.331 -22.709 -4.478 1.00 0.00 H new TER 1844 GLY A 118