USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 TYR OH : rot 71:sc= 1.04 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= 0.883 F(o=-0.66,f=1.9) USER MOD Set 2.1: A 77 ASN : amide:sc= -0.698 K(o=-1.6,f=-3.8!) USER MOD Set 2.2: A 80 LYS NZ :NH3+ -117:sc= -0.931 (180deg=-2.03) USER MOD Set 3.1: A 6 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ -166:sc= 0 (180deg=-0.0352) USER MOD Single : A 2 GLN : amide:sc= 0.399 X(o=0.4,f=-0.0048) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0884) USER MOD Single : A 17 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0289) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0273 USER MOD Single : A 26 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.22) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl 153:sc= 0 (180deg=-0.428) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 91:sc= 0.747 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.05) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 61 TYR OH : rot 40:sc= -1.38! USER MOD Single : A 65 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 74 MET CE :methyl 174:sc= -1.29 (180deg=-1.67) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -171:sc= 0.151 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 86 HIS : no HD1:sc= -0.0715 X(o=-0.071,f=-0.2) USER MOD Single : A 91 MET CE :methyl -115:sc= -0.0578 (180deg=-1.64) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -141:sc= 0.0931 (180deg=0) USER MOD Single : A 106 MET CE :methyl -157:sc= -0.0947 (180deg=-0.441) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.245 12.593 -1.009 1.00 0.00 N ATOM 2 CA GLU A 1 -15.907 11.145 -1.112 1.00 0.00 C ATOM 3 C GLU A 1 -14.512 10.862 -0.563 1.00 0.00 C ATOM 4 O GLU A 1 -13.573 11.621 -0.808 1.00 0.00 O ATOM 5 CB GLU A 1 -15.985 10.721 -2.582 1.00 0.00 C ATOM 6 CG GLU A 1 -17.407 10.647 -3.121 1.00 0.00 C ATOM 7 CD GLU A 1 -17.552 11.258 -4.505 1.00 0.00 C ATOM 8 OE1 GLU A 1 -16.952 12.326 -4.753 1.00 0.00 O ATOM 9 OE2 GLU A 1 -18.269 10.667 -5.340 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.265 12.723 -1.162 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.990 12.943 -0.063 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.716 13.125 -1.729 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.620 10.574 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.413 11.426 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.511 9.746 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -17.722 9.604 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.078 11.160 -2.432 1.00 0.00 H new ATOM 18 N GLN A 2 -14.380 9.761 0.174 1.00 0.00 N ATOM 19 CA GLN A 2 -13.095 9.376 0.752 1.00 0.00 C ATOM 20 C GLN A 2 -12.142 8.852 -0.325 1.00 0.00 C ATOM 21 O GLN A 2 -10.926 9.012 -0.215 1.00 0.00 O ATOM 22 CB GLN A 2 -13.291 8.318 1.841 1.00 0.00 C ATOM 23 CG GLN A 2 -13.589 8.904 3.213 1.00 0.00 C ATOM 24 CD GLN A 2 -12.331 9.221 4.001 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.896 8.431 4.839 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.738 10.381 3.737 1.00 0.00 N ATOM 0 H GLN A 2 -15.146 9.121 0.385 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.650 10.265 1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.109 7.658 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.393 7.704 1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.178 9.814 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.200 8.201 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.132 11.007 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.889 10.645 4.237 1.00 0.00 H new ATOM 35 N LEU A 3 -12.702 8.230 -1.367 1.00 0.00 N ATOM 36 CA LEU A 3 -11.903 7.688 -2.466 1.00 0.00 C ATOM 37 C LEU A 3 -11.033 8.773 -3.101 1.00 0.00 C ATOM 38 O LEU A 3 -9.881 8.523 -3.460 1.00 0.00 O ATOM 39 CB LEU A 3 -12.812 7.063 -3.528 1.00 0.00 C ATOM 40 CG LEU A 3 -12.104 6.171 -4.554 1.00 0.00 C ATOM 41 CD1 LEU A 3 -11.812 4.800 -3.962 1.00 0.00 C ATOM 42 CD2 LEU A 3 -12.943 6.041 -5.818 1.00 0.00 C ATOM 0 H LEU A 3 -13.707 8.090 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.249 6.918 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.578 6.473 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.325 7.864 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.155 6.638 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.309 4.182 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.170 4.910 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.747 4.324 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.425 5.404 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.908 5.598 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.098 7.028 -6.255 1.00 0.00 H new ATOM 54 N LYS A 4 -11.591 9.978 -3.235 1.00 0.00 N ATOM 55 CA LYS A 4 -10.865 11.102 -3.824 1.00 0.00 C ATOM 56 C LYS A 4 -9.607 11.423 -3.015 1.00 0.00 C ATOM 57 O LYS A 4 -8.545 11.675 -3.584 1.00 0.00 O ATOM 58 CB LYS A 4 -11.767 12.338 -3.903 1.00 0.00 C ATOM 59 CG LYS A 4 -11.600 13.138 -5.186 1.00 0.00 C ATOM 60 CD LYS A 4 -11.676 14.634 -4.921 1.00 0.00 C ATOM 61 CE LYS A 4 -11.243 15.444 -6.136 1.00 0.00 C ATOM 62 NZ LYS A 4 -12.357 16.269 -6.686 1.00 0.00 N ATOM 0 H LYS A 4 -12.543 10.199 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.564 10.818 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.807 12.024 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.556 12.985 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.641 12.896 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.375 12.853 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.696 14.904 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.042 14.886 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.413 16.094 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.876 14.769 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.018 16.804 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.140 15.648 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.691 16.932 -5.957 1.00 0.00 H new ATOM 76 N HIS A 5 -9.735 11.403 -1.687 1.00 0.00 N ATOM 77 CA HIS A 5 -8.607 11.684 -0.801 1.00 0.00 C ATOM 78 C HIS A 5 -7.529 10.613 -0.946 1.00 0.00 C ATOM 79 O HIS A 5 -6.340 10.925 -1.027 1.00 0.00 O ATOM 80 CB HIS A 5 -9.073 11.761 0.656 1.00 0.00 C ATOM 81 CG HIS A 5 -8.754 13.064 1.322 1.00 0.00 C ATOM 82 ND1 HIS A 5 -7.762 13.204 2.272 1.00 0.00 N ATOM 83 CD2 HIS A 5 -9.303 14.292 1.173 1.00 0.00 C ATOM 84 CE1 HIS A 5 -7.719 14.461 2.679 1.00 0.00 C ATOM 85 NE2 HIS A 5 -8.643 15.141 2.027 1.00 0.00 N ATOM 0 H HIS A 5 -10.608 11.195 -1.203 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.185 12.647 -1.087 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.150 11.598 0.693 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.609 10.952 1.220 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.111 14.555 0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.043 14.863 3.419 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.836 16.136 2.139 1.00 0.00 H new ATOM 94 N CYS A 6 -7.955 9.348 -0.979 1.00 0.00 N ATOM 95 CA CYS A 6 -7.029 8.224 -1.118 1.00 0.00 C ATOM 96 C CYS A 6 -6.205 8.346 -2.399 1.00 0.00 C ATOM 97 O CYS A 6 -5.018 8.018 -2.414 1.00 0.00 O ATOM 98 CB CYS A 6 -7.792 6.896 -1.116 1.00 0.00 C ATOM 99 SG CYS A 6 -6.791 5.466 -0.640 1.00 0.00 S ATOM 0 H CYS A 6 -8.936 9.077 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.349 8.246 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.638 6.977 -0.433 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.201 6.724 -2.111 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.526 4.394 -0.667 1.00 0.00 H new ATOM 105 N ASN A 7 -6.842 8.822 -3.472 1.00 0.00 N ATOM 106 CA ASN A 7 -6.167 8.990 -4.758 1.00 0.00 C ATOM 107 C ASN A 7 -4.958 9.916 -4.625 1.00 0.00 C ATOM 108 O ASN A 7 -3.890 9.636 -5.168 1.00 0.00 O ATOM 109 CB ASN A 7 -7.139 9.543 -5.808 1.00 0.00 C ATOM 110 CG ASN A 7 -7.736 8.451 -6.676 1.00 0.00 C ATOM 111 OD1 ASN A 7 -7.491 8.395 -7.880 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.528 7.576 -6.066 1.00 0.00 N ATOM 0 H ASN A 7 -7.824 9.097 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.817 8.010 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.941 10.084 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.617 10.261 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.960 6.821 -6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.704 7.659 -5.065 1.00 0.00 H new ATOM 119 N VAL A 8 -5.133 11.016 -3.892 1.00 0.00 N ATOM 120 CA VAL A 8 -4.054 11.977 -3.682 1.00 0.00 C ATOM 121 C VAL A 8 -2.899 11.342 -2.907 1.00 0.00 C ATOM 122 O VAL A 8 -1.730 11.609 -3.189 1.00 0.00 O ATOM 123 CB VAL A 8 -4.543 13.230 -2.923 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.454 14.293 -2.883 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.814 13.785 -3.556 1.00 0.00 C ATOM 0 H VAL A 8 -6.011 11.262 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.707 12.280 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.774 12.938 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.819 15.167 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.575 13.895 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.187 14.579 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.140 14.667 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.615 14.058 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.597 13.027 -3.524 1.00 0.00 H new ATOM 135 N ILE A 9 -3.236 10.494 -1.935 1.00 0.00 N ATOM 136 CA ILE A 9 -2.230 9.815 -1.124 1.00 0.00 C ATOM 137 C ILE A 9 -1.338 8.922 -1.989 1.00 0.00 C ATOM 138 O ILE A 9 -0.132 8.825 -1.754 1.00 0.00 O ATOM 139 CB ILE A 9 -2.880 8.966 -0.008 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.828 9.825 0.837 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.811 8.333 0.871 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.707 9.022 1.770 1.00 0.00 C ATOM 0 H ILE A 9 -4.199 10.262 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.619 10.590 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.459 8.170 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.239 10.530 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.461 10.413 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.287 7.739 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.174 7.691 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.206 9.116 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.350 9.697 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.323 8.335 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.082 8.454 2.460 1.00 0.00 H new ATOM 154 N LEU A 10 -1.934 8.279 -2.996 1.00 0.00 N ATOM 155 CA LEU A 10 -1.183 7.405 -3.900 1.00 0.00 C ATOM 156 C LEU A 10 -0.070 8.183 -4.602 1.00 0.00 C ATOM 157 O LEU A 10 1.045 7.682 -4.759 1.00 0.00 O ATOM 158 CB LEU A 10 -2.118 6.778 -4.940 1.00 0.00 C ATOM 159 CG LEU A 10 -1.768 5.345 -5.364 1.00 0.00 C ATOM 160 CD1 LEU A 10 -1.957 4.376 -4.204 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.615 4.921 -6.560 1.00 0.00 C ATOM 0 H LEU A 10 -2.930 8.347 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.732 6.610 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.132 6.783 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.122 7.410 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.719 5.322 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.703 3.367 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.308 4.666 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.996 4.401 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.354 3.903 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.671 4.963 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.426 5.594 -7.396 1.00 0.00 H new ATOM 173 N LYS A 11 -0.381 9.415 -5.016 1.00 0.00 N ATOM 174 CA LYS A 11 0.590 10.270 -5.694 1.00 0.00 C ATOM 175 C LYS A 11 1.816 10.511 -4.813 1.00 0.00 C ATOM 176 O LYS A 11 2.939 10.560 -5.309 1.00 0.00 O ATOM 177 CB LYS A 11 -0.047 11.610 -6.078 1.00 0.00 C ATOM 178 CG LYS A 11 -0.663 11.621 -7.468 1.00 0.00 C ATOM 179 CD LYS A 11 0.001 12.653 -8.368 1.00 0.00 C ATOM 180 CE LYS A 11 -0.988 13.252 -9.358 1.00 0.00 C ATOM 181 NZ LYS A 11 -0.653 14.665 -9.696 1.00 0.00 N ATOM 0 H LYS A 11 -1.300 9.840 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 11 0.910 9.757 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.817 11.858 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.711 12.392 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.568 10.632 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.729 11.836 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.431 13.447 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.824 12.188 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.997 12.654 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.993 13.208 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.351 15.035 -10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.670 15.242 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.296 14.705 -10.121 1.00 0.00 H new ATOM 195 N GLU A 12 1.593 10.656 -3.505 1.00 0.00 N ATOM 196 CA GLU A 12 2.687 10.885 -2.560 1.00 0.00 C ATOM 197 C GLU A 12 3.563 9.639 -2.422 1.00 0.00 C ATOM 198 O GLU A 12 4.791 9.737 -2.378 1.00 0.00 O ATOM 199 CB GLU A 12 2.136 11.289 -1.188 1.00 0.00 C ATOM 200 CG GLU A 12 2.949 12.375 -0.498 1.00 0.00 C ATOM 201 CD GLU A 12 3.025 13.655 -1.310 1.00 0.00 C ATOM 202 OE1 GLU A 12 1.958 14.179 -1.695 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.152 14.131 -1.564 1.00 0.00 O ATOM 0 H GLU A 12 0.668 10.619 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 12 3.300 11.697 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.109 11.636 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.103 10.409 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.506 12.592 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.958 12.006 -0.314 1.00 0.00 H new ATOM 210 N LEU A 13 2.924 8.469 -2.354 1.00 0.00 N ATOM 211 CA LEU A 13 3.645 7.202 -2.221 1.00 0.00 C ATOM 212 C LEU A 13 4.550 6.953 -3.431 1.00 0.00 C ATOM 213 O LEU A 13 5.661 6.443 -3.288 1.00 0.00 O ATOM 214 CB LEU A 13 2.659 6.039 -2.057 1.00 0.00 C ATOM 215 CG LEU A 13 1.811 6.073 -0.778 1.00 0.00 C ATOM 216 CD1 LEU A 13 0.665 5.074 -0.869 1.00 0.00 C ATOM 217 CD2 LEU A 13 2.674 5.787 0.446 1.00 0.00 C ATOM 0 H LEU A 13 1.909 8.373 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 13 4.271 7.266 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.989 6.028 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.219 5.104 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 13 1.388 7.072 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.075 5.113 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.031 5.324 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.067 4.069 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.055 5.816 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.127 4.800 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.458 6.540 0.522 1.00 0.00 H new ATOM 229 N LEU A 14 4.066 7.318 -4.621 1.00 0.00 N ATOM 230 CA LEU A 14 4.828 7.138 -5.859 1.00 0.00 C ATOM 231 C LEU A 14 5.548 8.432 -6.281 1.00 0.00 C ATOM 232 O LEU A 14 6.222 8.460 -7.312 1.00 0.00 O ATOM 233 CB LEU A 14 3.895 6.663 -6.983 1.00 0.00 C ATOM 234 CG LEU A 14 4.585 6.019 -8.192 1.00 0.00 C ATOM 235 CD1 LEU A 14 5.463 4.852 -7.761 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.548 5.561 -9.209 1.00 0.00 C ATOM 0 H LEU A 14 3.147 7.741 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 14 5.591 6.382 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.189 5.945 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.313 7.516 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 14 5.226 6.767 -8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.941 4.413 -8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.228 5.208 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.850 4.099 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.051 5.106 -10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.884 4.830 -8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.966 6.419 -9.546 1.00 0.00 H new ATOM 248 N SER A 15 5.396 9.501 -5.489 1.00 0.00 N ATOM 249 CA SER A 15 6.024 10.793 -5.795 1.00 0.00 C ATOM 250 C SER A 15 7.552 10.685 -5.828 1.00 0.00 C ATOM 251 O SER A 15 8.159 10.746 -6.899 1.00 0.00 O ATOM 252 CB SER A 15 5.588 11.848 -4.770 1.00 0.00 C ATOM 253 OG SER A 15 6.324 13.051 -4.914 1.00 0.00 O ATOM 0 H SER A 15 4.844 9.497 -4.632 1.00 0.00 H new ATOM 0 HA SER A 15 5.692 11.098 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.525 12.055 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.725 11.455 -3.762 1.00 0.00 H new ATOM 0 HG SER A 15 6.020 13.702 -4.247 1.00 0.00 H new ATOM 259 N LYS A 16 8.166 10.524 -4.654 1.00 0.00 N ATOM 260 CA LYS A 16 9.625 10.404 -4.549 1.00 0.00 C ATOM 261 C LYS A 16 10.064 10.272 -3.090 1.00 0.00 C ATOM 262 O LYS A 16 10.931 9.457 -2.769 1.00 0.00 O ATOM 263 CB LYS A 16 10.333 11.602 -5.201 1.00 0.00 C ATOM 264 CG LYS A 16 9.772 12.959 -4.794 1.00 0.00 C ATOM 265 CD LYS A 16 10.761 13.751 -3.948 1.00 0.00 C ATOM 266 CE LYS A 16 11.973 14.196 -4.758 1.00 0.00 C ATOM 267 NZ LYS A 16 11.626 15.234 -5.772 1.00 0.00 N ATOM 0 H LYS A 16 7.676 10.473 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 16 9.913 9.499 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.392 11.568 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.265 11.504 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.519 13.530 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.848 12.817 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.262 14.626 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.090 13.140 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.733 14.590 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.409 13.332 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.499 15.627 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.055 14.804 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.083 15.995 -5.317 1.00 0.00 H new ATOM 281 N LYS A 17 9.462 11.075 -2.209 1.00 0.00 N ATOM 282 CA LYS A 17 9.791 11.042 -0.784 1.00 0.00 C ATOM 283 C LYS A 17 9.616 9.634 -0.214 1.00 0.00 C ATOM 284 O LYS A 17 10.490 9.129 0.491 1.00 0.00 O ATOM 285 CB LYS A 17 8.914 12.035 -0.015 1.00 0.00 C ATOM 286 CG LYS A 17 9.641 12.744 1.118 1.00 0.00 C ATOM 287 CD LYS A 17 10.748 13.650 0.597 1.00 0.00 C ATOM 288 CE LYS A 17 10.310 15.108 0.558 1.00 0.00 C ATOM 289 NZ LYS A 17 9.669 15.468 -0.740 1.00 0.00 N ATOM 0 H LYS A 17 8.744 11.756 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 17 10.836 11.329 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.529 12.781 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.053 11.505 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.929 13.334 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.065 12.005 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.628 13.551 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.039 13.330 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.610 15.298 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.175 15.750 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.116 16.326 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.788 14.686 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.655 15.644 -0.589 1.00 0.00 H new ATOM 303 N HIS A 18 8.483 9.005 -0.531 1.00 0.00 N ATOM 304 CA HIS A 18 8.192 7.650 -0.058 1.00 0.00 C ATOM 305 C HIS A 18 8.260 6.626 -1.197 1.00 0.00 C ATOM 306 O HIS A 18 8.009 5.437 -0.984 1.00 0.00 O ATOM 307 CB HIS A 18 6.811 7.606 0.598 1.00 0.00 C ATOM 308 CG HIS A 18 6.682 8.534 1.763 1.00 0.00 C ATOM 309 ND1 HIS A 18 6.213 9.825 1.648 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.968 8.353 3.073 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.218 10.399 2.837 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.671 9.527 3.719 1.00 0.00 N ATOM 0 H HIS A 18 7.751 9.412 -1.114 1.00 0.00 H new ATOM 0 HA HIS A 18 8.953 7.386 0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.055 7.859 -0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.605 6.588 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.357 7.453 3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.905 11.410 3.052 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.782 9.698 4.718 1.00 0.00 H new ATOM 321 N ALA A 19 8.605 7.087 -2.403 1.00 0.00 N ATOM 322 CA ALA A 19 8.710 6.203 -3.562 1.00 0.00 C ATOM 323 C ALA A 19 9.825 5.176 -3.378 1.00 0.00 C ATOM 324 O ALA A 19 9.752 4.076 -3.924 1.00 0.00 O ATOM 325 CB ALA A 19 8.949 7.010 -4.829 1.00 0.00 C ATOM 0 H ALA A 19 8.815 8.066 -2.599 1.00 0.00 H new ATOM 0 HA ALA A 19 7.766 5.667 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.025 6.335 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.118 7.699 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.876 7.576 -4.731 1.00 0.00 H new ATOM 331 N ALA A 20 10.854 5.542 -2.606 1.00 0.00 N ATOM 332 CA ALA A 20 11.987 4.651 -2.350 1.00 0.00 C ATOM 333 C ALA A 20 11.527 3.287 -1.831 1.00 0.00 C ATOM 334 O ALA A 20 12.122 2.260 -2.158 1.00 0.00 O ATOM 335 CB ALA A 20 12.957 5.291 -1.366 1.00 0.00 C ATOM 0 H ALA A 20 10.924 6.451 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 20 12.499 4.490 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.793 4.615 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.330 6.228 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.443 5.489 -0.425 1.00 0.00 H new ATOM 341 N TYR A 21 10.464 3.286 -1.028 1.00 0.00 N ATOM 342 CA TYR A 21 9.917 2.047 -0.472 1.00 0.00 C ATOM 343 C TYR A 21 8.692 1.575 -1.268 1.00 0.00 C ATOM 344 O TYR A 21 8.169 0.483 -1.025 1.00 0.00 O ATOM 345 CB TYR A 21 9.522 2.243 0.997 1.00 0.00 C ATOM 346 CG TYR A 21 10.488 3.091 1.795 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.412 4.478 1.766 1.00 0.00 C ATOM 348 CD2 TYR A 21 11.470 2.504 2.579 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.291 5.255 2.494 1.00 0.00 C ATOM 350 CE2 TYR A 21 12.353 3.273 3.310 1.00 0.00 C ATOM 351 CZ TYR A 21 12.260 4.647 3.266 1.00 0.00 C ATOM 352 OH TYR A 21 13.138 5.416 3.996 1.00 0.00 O ATOM 0 H TYR A 21 9.963 4.129 -0.747 1.00 0.00 H new ATOM 0 HA TYR A 21 10.695 1.286 -0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.535 2.703 1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.438 1.265 1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.653 4.956 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.545 1.427 2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.221 6.332 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.113 2.800 3.914 1.00 0.00 H new ATOM 0 HH TYR A 21 13.755 4.833 4.485 1.00 0.00 H new ATOM 362 N ALA A 22 8.236 2.401 -2.215 1.00 0.00 N ATOM 363 CA ALA A 22 7.073 2.073 -3.035 1.00 0.00 C ATOM 364 C ALA A 22 7.425 1.131 -4.184 1.00 0.00 C ATOM 365 O ALA A 22 6.772 0.107 -4.361 1.00 0.00 O ATOM 366 CB ALA A 22 6.432 3.343 -3.577 1.00 0.00 C ATOM 0 H ALA A 22 8.659 3.304 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 22 6.362 1.554 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.567 3.082 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.114 3.973 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.155 3.884 -4.187 1.00 0.00 H new ATOM 372 N TRP A 23 8.447 1.485 -4.973 1.00 0.00 N ATOM 373 CA TRP A 23 8.853 0.659 -6.116 1.00 0.00 C ATOM 374 C TRP A 23 9.242 -0.771 -5.710 1.00 0.00 C ATOM 375 O TRP A 23 8.963 -1.712 -6.454 1.00 0.00 O ATOM 376 CB TRP A 23 9.992 1.318 -6.911 1.00 0.00 C ATOM 377 CG TRP A 23 11.260 1.502 -6.135 1.00 0.00 C ATOM 378 CD1 TRP A 23 11.678 2.639 -5.510 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.278 0.520 -5.907 1.00 0.00 C ATOM 380 NE1 TRP A 23 12.885 2.423 -4.895 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.277 1.131 -5.126 1.00 0.00 C ATOM 382 CE3 TRP A 23 12.438 -0.816 -6.281 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.421 0.451 -4.716 1.00 0.00 C ATOM 384 CZ3 TRP A 23 13.574 -1.490 -5.874 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.551 -0.857 -5.098 1.00 0.00 C ATOM 0 H TRP A 23 9.003 2.330 -4.843 1.00 0.00 H new ATOM 0 HA TRP A 23 7.976 0.585 -6.759 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.203 0.711 -7.791 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.654 2.291 -7.268 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.137 3.574 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 23 13.406 3.113 -4.353 1.00 0.00 H new ATOM 0 HE3 TRP A 23 11.688 -1.314 -6.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.178 0.938 -4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 13.710 -2.523 -6.160 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.426 -1.412 -4.794 1.00 0.00 H new ATOM 396 N PRO A 24 9.882 -0.976 -4.532 1.00 0.00 N ATOM 397 CA PRO A 24 10.274 -2.317 -4.083 1.00 0.00 C ATOM 398 C PRO A 24 9.060 -3.180 -3.757 1.00 0.00 C ATOM 399 O PRO A 24 8.985 -4.341 -4.162 1.00 0.00 O ATOM 400 CB PRO A 24 11.109 -2.067 -2.818 1.00 0.00 C ATOM 401 CG PRO A 24 11.387 -0.602 -2.802 1.00 0.00 C ATOM 402 CD PRO A 24 10.260 0.047 -3.549 1.00 0.00 C ATOM 0 HA PRO A 24 10.823 -2.856 -4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.566 -2.372 -1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.035 -2.641 -2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.443 -0.228 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.344 -0.382 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.430 0.298 -2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.575 0.973 -4.031 1.00 0.00 H new ATOM 410 N PHE A 25 8.106 -2.598 -3.029 1.00 0.00 N ATOM 411 CA PHE A 25 6.886 -3.307 -2.651 1.00 0.00 C ATOM 412 C PHE A 25 5.816 -3.219 -3.751 1.00 0.00 C ATOM 413 O PHE A 25 4.715 -3.751 -3.593 1.00 0.00 O ATOM 414 CB PHE A 25 6.339 -2.751 -1.332 1.00 0.00 C ATOM 415 CG PHE A 25 7.108 -3.211 -0.122 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.365 -2.694 0.159 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.574 -4.162 0.734 1.00 0.00 C ATOM 418 CE1 PHE A 25 9.072 -3.119 1.267 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.278 -4.589 1.843 1.00 0.00 C ATOM 420 CZ PHE A 25 8.528 -4.067 2.111 1.00 0.00 C ATOM 0 H PHE A 25 8.156 -1.637 -2.690 1.00 0.00 H new ATOM 0 HA PHE A 25 7.139 -4.359 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.356 -1.662 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.296 -3.050 -1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.795 -1.951 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.596 -4.574 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.050 -2.710 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.851 -5.331 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.079 -4.399 2.979 1.00 0.00 H new ATOM 430 N TYR A 26 6.139 -2.546 -4.861 1.00 0.00 N ATOM 431 CA TYR A 26 5.203 -2.396 -5.968 1.00 0.00 C ATOM 432 C TYR A 26 5.241 -3.610 -6.896 1.00 0.00 C ATOM 433 O TYR A 26 4.201 -4.077 -7.359 1.00 0.00 O ATOM 434 CB TYR A 26 5.527 -1.128 -6.760 1.00 0.00 C ATOM 435 CG TYR A 26 4.325 -0.245 -7.006 1.00 0.00 C ATOM 436 CD1 TYR A 26 3.190 -0.742 -7.635 1.00 0.00 C ATOM 437 CD2 TYR A 26 4.323 1.085 -6.606 1.00 0.00 C ATOM 438 CE1 TYR A 26 2.089 0.061 -7.857 1.00 0.00 C ATOM 439 CE2 TYR A 26 3.225 1.894 -6.824 1.00 0.00 C ATOM 440 CZ TYR A 26 2.111 1.378 -7.451 1.00 0.00 C ATOM 441 OH TYR A 26 1.014 2.180 -7.667 1.00 0.00 O ATOM 0 H TYR A 26 7.043 -2.098 -5.011 1.00 0.00 H new ATOM 0 HA TYR A 26 4.199 -2.318 -5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.283 -0.557 -6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.963 -1.410 -7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.169 -1.773 -7.955 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.195 1.493 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.214 -0.341 -8.347 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.239 2.926 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 26 1.193 3.079 -7.320 1.00 0.00 H new ATOM 451 N LYS A 27 6.449 -4.109 -7.171 1.00 0.00 N ATOM 452 CA LYS A 27 6.624 -5.264 -8.052 1.00 0.00 C ATOM 453 C LYS A 27 6.028 -6.530 -7.433 1.00 0.00 C ATOM 454 O LYS A 27 6.180 -6.777 -6.236 1.00 0.00 O ATOM 455 CB LYS A 27 8.110 -5.488 -8.364 1.00 0.00 C ATOM 456 CG LYS A 27 9.015 -5.435 -7.141 1.00 0.00 C ATOM 457 CD LYS A 27 9.989 -6.601 -7.117 1.00 0.00 C ATOM 458 CE LYS A 27 9.313 -7.879 -6.643 1.00 0.00 C ATOM 459 NZ LYS A 27 10.046 -9.098 -7.086 1.00 0.00 N ATOM 0 H LYS A 27 7.319 -3.731 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 27 6.094 -5.051 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.227 -6.458 -8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.438 -4.734 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.569 -4.497 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.407 -5.449 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.401 -6.754 -8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.826 -6.365 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.247 -7.872 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.292 -7.912 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.551 -9.945 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.087 -9.120 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.012 -9.081 -6.701 1.00 0.00 H new ATOM 473 N PRO A 28 5.339 -7.349 -8.251 1.00 0.00 N ATOM 474 CA PRO A 28 4.717 -8.592 -7.788 1.00 0.00 C ATOM 475 C PRO A 28 5.710 -9.750 -7.679 1.00 0.00 C ATOM 476 O PRO A 28 6.917 -9.571 -7.865 1.00 0.00 O ATOM 477 CB PRO A 28 3.681 -8.873 -8.876 1.00 0.00 C ATOM 478 CG PRO A 28 4.284 -8.313 -10.119 1.00 0.00 C ATOM 479 CD PRO A 28 5.112 -7.126 -9.694 1.00 0.00 C ATOM 0 HA PRO A 28 4.302 -8.495 -6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.489 -9.941 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.727 -8.397 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.902 -9.058 -10.620 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.510 -8.013 -10.825 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.052 -7.077 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.588 -6.188 -9.876 1.00 0.00 H new ATOM 487 N VAL A 29 5.189 -10.938 -7.383 1.00 0.00 N ATOM 488 CA VAL A 29 6.009 -12.134 -7.253 1.00 0.00 C ATOM 489 C VAL A 29 5.838 -13.022 -8.480 1.00 0.00 C ATOM 490 O VAL A 29 4.876 -13.786 -8.576 1.00 0.00 O ATOM 491 CB VAL A 29 5.649 -12.938 -5.984 1.00 0.00 C ATOM 492 CG1 VAL A 29 6.633 -14.081 -5.777 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.604 -12.029 -4.760 1.00 0.00 C ATOM 0 H VAL A 29 4.193 -11.096 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 29 7.047 -11.812 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 29 4.656 -13.365 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.363 -14.635 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.602 -14.748 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.640 -13.679 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.349 -12.618 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.579 -11.564 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.852 -11.254 -4.909 1.00 0.00 H new ATOM 503 N ASP A 30 6.767 -12.901 -9.422 1.00 0.00 N ATOM 504 CA ASP A 30 6.718 -13.679 -10.657 1.00 0.00 C ATOM 505 C ASP A 30 7.006 -15.156 -10.395 1.00 0.00 C ATOM 506 O ASP A 30 8.114 -15.639 -10.636 1.00 0.00 O ATOM 507 CB ASP A 30 7.708 -13.118 -11.682 1.00 0.00 C ATOM 508 CG ASP A 30 7.577 -11.617 -11.854 1.00 0.00 C ATOM 509 OD1 ASP A 30 6.606 -11.175 -12.502 1.00 0.00 O ATOM 510 OD2 ASP A 30 8.443 -10.884 -11.332 1.00 0.00 O ATOM 0 H ASP A 30 7.566 -12.270 -9.355 1.00 0.00 H new ATOM 0 HA ASP A 30 5.709 -13.600 -11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.724 -13.357 -11.369 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.547 -13.606 -12.643 1.00 0.00 H new ATOM 515 N ALA A 31 5.996 -15.868 -9.901 1.00 0.00 N ATOM 516 CA ALA A 31 6.126 -17.292 -9.604 1.00 0.00 C ATOM 517 C ALA A 31 6.425 -18.105 -10.864 1.00 0.00 C ATOM 518 O ALA A 31 7.105 -19.128 -10.799 1.00 0.00 O ATOM 519 CB ALA A 31 4.861 -17.808 -8.938 1.00 0.00 C ATOM 0 H ALA A 31 5.075 -15.480 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 31 6.967 -17.412 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.971 -18.871 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.691 -17.264 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.012 -17.659 -9.605 1.00 0.00 H new ATOM 525 N SER A 32 5.908 -17.649 -12.006 1.00 0.00 N ATOM 526 CA SER A 32 6.120 -18.343 -13.276 1.00 0.00 C ATOM 527 C SER A 32 7.412 -17.884 -13.953 1.00 0.00 C ATOM 528 O SER A 32 8.166 -18.702 -14.481 1.00 0.00 O ATOM 529 CB SER A 32 4.931 -18.117 -14.216 1.00 0.00 C ATOM 530 OG SER A 32 3.780 -18.808 -13.761 1.00 0.00 O ATOM 0 H SER A 32 5.341 -16.804 -12.077 1.00 0.00 H new ATOM 0 HA SER A 32 6.208 -19.408 -13.059 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.715 -17.051 -14.284 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.188 -18.455 -15.220 1.00 0.00 H new ATOM 0 HG SER A 32 3.036 -18.646 -14.378 1.00 0.00 H new ATOM 536 N ALA A 33 7.660 -16.572 -13.939 1.00 0.00 N ATOM 537 CA ALA A 33 8.860 -16.010 -14.558 1.00 0.00 C ATOM 538 C ALA A 33 10.112 -16.342 -13.746 1.00 0.00 C ATOM 539 O ALA A 33 11.021 -17.006 -14.245 1.00 0.00 O ATOM 540 CB ALA A 33 8.717 -14.503 -14.728 1.00 0.00 C ATOM 0 H ALA A 33 7.047 -15.881 -13.506 1.00 0.00 H new ATOM 0 HA ALA A 33 8.971 -16.463 -15.543 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.619 -14.102 -15.190 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.858 -14.288 -15.363 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.572 -14.039 -13.752 1.00 0.00 H new ATOM 546 N LEU A 34 10.151 -15.882 -12.495 1.00 0.00 N ATOM 547 CA LEU A 34 11.296 -16.141 -11.621 1.00 0.00 C ATOM 548 C LEU A 34 11.331 -17.605 -11.187 1.00 0.00 C ATOM 549 O LEU A 34 12.394 -18.226 -11.161 1.00 0.00 O ATOM 550 CB LEU A 34 11.252 -15.244 -10.380 1.00 0.00 C ATOM 551 CG LEU A 34 11.436 -13.747 -10.641 1.00 0.00 C ATOM 552 CD1 LEU A 34 10.823 -12.936 -9.509 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.912 -13.409 -10.804 1.00 0.00 C ATOM 0 H LEU A 34 9.407 -15.331 -12.066 1.00 0.00 H new ATOM 0 HA LEU A 34 12.198 -15.917 -12.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.295 -15.393 -9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.028 -15.572 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 34 10.924 -13.491 -11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.961 -11.873 -9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.758 -13.157 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.311 -13.196 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.022 -12.340 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.449 -13.677 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.322 -13.967 -11.646 1.00 0.00 H new ATOM 565 N GLY A 35 10.162 -18.148 -10.844 1.00 0.00 N ATOM 566 CA GLY A 35 10.078 -19.535 -10.412 1.00 0.00 C ATOM 567 C GLY A 35 9.812 -19.676 -8.921 1.00 0.00 C ATOM 568 O GLY A 35 10.217 -20.665 -8.308 1.00 0.00 O ATOM 0 H GLY A 35 9.271 -17.651 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.284 -20.035 -10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.009 -20.044 -10.659 1.00 0.00 H new ATOM 572 N LEU A 36 9.127 -18.690 -8.337 1.00 0.00 N ATOM 573 CA LEU A 36 8.807 -18.718 -6.911 1.00 0.00 C ATOM 574 C LEU A 36 7.490 -19.455 -6.665 1.00 0.00 C ATOM 575 O LEU A 36 6.470 -18.838 -6.351 1.00 0.00 O ATOM 576 CB LEU A 36 8.728 -17.290 -6.350 1.00 0.00 C ATOM 577 CG LEU A 36 10.035 -16.737 -5.771 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.511 -17.593 -4.606 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.106 -16.655 -6.850 1.00 0.00 C ATOM 0 H LEU A 36 8.785 -17.865 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 36 9.604 -19.254 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.392 -16.624 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.966 -17.266 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 36 9.846 -15.730 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.440 -17.183 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.752 -17.596 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.682 -18.613 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.026 -16.260 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.292 -17.650 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.767 -15.996 -7.649 1.00 0.00 H new ATOM 591 N HIS A 37 7.519 -20.780 -6.809 1.00 0.00 N ATOM 592 CA HIS A 37 6.328 -21.599 -6.600 1.00 0.00 C ATOM 593 C HIS A 37 6.004 -21.719 -5.113 1.00 0.00 C ATOM 594 O HIS A 37 4.839 -21.651 -4.720 1.00 0.00 O ATOM 595 CB HIS A 37 6.515 -22.991 -7.211 1.00 0.00 C ATOM 596 CG HIS A 37 5.522 -23.319 -8.284 1.00 0.00 C ATOM 597 ND1 HIS A 37 5.342 -24.595 -8.776 1.00 0.00 N ATOM 598 CD2 HIS A 37 4.654 -22.531 -8.965 1.00 0.00 C ATOM 599 CE1 HIS A 37 4.409 -24.578 -9.712 1.00 0.00 C ATOM 600 NE2 HIS A 37 3.975 -23.338 -9.845 1.00 0.00 N ATOM 0 H HIS A 37 8.353 -21.307 -7.069 1.00 0.00 H new ATOM 0 HA HIS A 37 5.492 -21.107 -7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.521 -23.064 -7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.441 -23.738 -6.420 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.521 -21.467 -8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.061 -25.433 -10.273 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.253 -23.029 -10.496 1.00 0.00 H new ATOM 609 N ASP A 38 7.041 -21.890 -4.289 1.00 0.00 N ATOM 610 CA ASP A 38 6.861 -22.011 -2.842 1.00 0.00 C ATOM 611 C ASP A 38 6.154 -20.780 -2.277 1.00 0.00 C ATOM 612 O ASP A 38 5.322 -20.893 -1.378 1.00 0.00 O ATOM 613 CB ASP A 38 8.209 -22.202 -2.141 1.00 0.00 C ATOM 614 CG ASP A 38 8.191 -23.355 -1.156 1.00 0.00 C ATOM 615 OD1 ASP A 38 7.512 -23.237 -0.113 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.854 -24.377 -1.427 1.00 0.00 O ATOM 0 H ASP A 38 8.011 -21.948 -4.599 1.00 0.00 H new ATOM 0 HA ASP A 38 6.240 -22.888 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.982 -22.379 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.476 -21.284 -1.617 1.00 0.00 H new ATOM 621 N TYR A 39 6.488 -19.606 -2.816 1.00 0.00 N ATOM 622 CA TYR A 39 5.878 -18.353 -2.372 1.00 0.00 C ATOM 623 C TYR A 39 4.356 -18.417 -2.488 1.00 0.00 C ATOM 624 O TYR A 39 3.637 -17.915 -1.624 1.00 0.00 O ATOM 625 CB TYR A 39 6.412 -17.180 -3.198 1.00 0.00 C ATOM 626 CG TYR A 39 6.051 -15.820 -2.638 1.00 0.00 C ATOM 627 CD1 TYR A 39 4.830 -15.225 -2.935 1.00 0.00 C ATOM 628 CD2 TYR A 39 6.932 -15.133 -1.813 1.00 0.00 C ATOM 629 CE1 TYR A 39 4.500 -13.983 -2.426 1.00 0.00 C ATOM 630 CE2 TYR A 39 6.609 -13.891 -1.301 1.00 0.00 C ATOM 631 CZ TYR A 39 5.392 -13.321 -1.609 1.00 0.00 C ATOM 632 OH TYR A 39 5.068 -12.084 -1.102 1.00 0.00 O ATOM 0 H TYR A 39 7.177 -19.498 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 39 6.140 -18.202 -1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.497 -17.259 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.025 -17.258 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.128 -15.741 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.885 -15.577 -1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.548 -13.533 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.307 -13.369 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 39 5.804 -11.756 -0.545 1.00 0.00 H new ATOM 642 N HIS A 40 3.870 -19.041 -3.560 1.00 0.00 N ATOM 643 CA HIS A 40 2.436 -19.171 -3.783 1.00 0.00 C ATOM 644 C HIS A 40 1.814 -20.182 -2.818 1.00 0.00 C ATOM 645 O HIS A 40 0.657 -20.039 -2.425 1.00 0.00 O ATOM 646 CB HIS A 40 2.156 -19.585 -5.230 1.00 0.00 C ATOM 647 CG HIS A 40 1.011 -18.844 -5.854 1.00 0.00 C ATOM 648 ND1 HIS A 40 1.065 -18.305 -7.123 1.00 0.00 N ATOM 649 CD2 HIS A 40 -0.222 -18.549 -5.374 1.00 0.00 C ATOM 650 CE1 HIS A 40 -0.084 -17.712 -7.397 1.00 0.00 C ATOM 651 NE2 HIS A 40 -0.880 -17.845 -6.353 1.00 0.00 N ATOM 0 H HIS A 40 4.450 -19.463 -4.285 1.00 0.00 H new ATOM 0 HA HIS A 40 1.980 -18.199 -3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.053 -19.420 -5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.946 -20.654 -5.259 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.614 -18.817 -4.404 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.330 -17.205 -8.318 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.831 -17.483 -6.284 1.00 0.00 H new ATOM 660 N ASP A 41 2.585 -21.202 -2.437 1.00 0.00 N ATOM 661 CA ASP A 41 2.096 -22.228 -1.515 1.00 0.00 C ATOM 662 C ASP A 41 2.036 -21.698 -0.083 1.00 0.00 C ATOM 663 O ASP A 41 1.057 -21.929 0.628 1.00 0.00 O ATOM 664 CB ASP A 41 2.983 -23.478 -1.575 1.00 0.00 C ATOM 665 CG ASP A 41 2.490 -24.496 -2.590 1.00 0.00 C ATOM 666 OD1 ASP A 41 1.979 -24.080 -3.651 1.00 0.00 O ATOM 667 OD2 ASP A 41 2.617 -25.709 -2.322 1.00 0.00 O ATOM 0 H ASP A 41 3.546 -21.339 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 41 1.086 -22.497 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.002 -23.184 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.019 -23.941 -0.589 1.00 0.00 H new ATOM 672 N ILE A 42 3.085 -20.988 0.335 1.00 0.00 N ATOM 673 CA ILE A 42 3.144 -20.429 1.685 1.00 0.00 C ATOM 674 C ILE A 42 2.153 -19.277 1.856 1.00 0.00 C ATOM 675 O ILE A 42 1.347 -19.277 2.789 1.00 0.00 O ATOM 676 CB ILE A 42 4.560 -19.924 2.041 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.607 -21.009 1.768 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.616 -19.487 3.499 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.978 -20.454 1.450 1.00 0.00 C ATOM 0 H ILE A 42 3.903 -20.787 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 42 2.878 -21.242 2.361 1.00 0.00 H new ATOM 0 HB ILE A 42 4.786 -19.064 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.680 -21.661 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.271 -21.627 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.620 -19.134 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.900 -18.682 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.368 -20.332 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.670 -21.276 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.919 -19.825 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.334 -19.860 2.292 1.00 0.00 H new ATOM 691 N ILE A 43 2.219 -18.295 0.957 1.00 0.00 N ATOM 692 CA ILE A 43 1.326 -17.139 1.022 1.00 0.00 C ATOM 693 C ILE A 43 -0.109 -17.531 0.664 1.00 0.00 C ATOM 694 O ILE A 43 -1.048 -17.180 1.379 1.00 0.00 O ATOM 695 CB ILE A 43 1.797 -15.997 0.088 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.271 -15.659 0.344 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.926 -14.761 0.275 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.557 -15.174 1.751 1.00 0.00 C ATOM 0 H ILE A 43 2.878 -18.277 0.179 1.00 0.00 H new ATOM 0 HA ILE A 43 1.353 -16.778 2.050 1.00 0.00 H new ATOM 0 HB ILE A 43 1.699 -16.337 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.876 -16.544 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.586 -14.893 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.271 -13.969 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.109 -15.007 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.992 -14.422 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.620 -14.956 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.981 -14.270 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.276 -15.947 2.466 1.00 0.00 H new ATOM 710 N LYS A 44 -0.264 -18.256 -0.450 1.00 0.00 N ATOM 711 CA LYS A 44 -1.571 -18.714 -0.937 1.00 0.00 C ATOM 712 C LYS A 44 -2.328 -17.608 -1.679 1.00 0.00 C ATOM 713 O LYS A 44 -3.112 -17.892 -2.586 1.00 0.00 O ATOM 714 CB LYS A 44 -2.418 -19.259 0.213 1.00 0.00 C ATOM 715 CG LYS A 44 -3.118 -20.572 -0.117 1.00 0.00 C ATOM 716 CD LYS A 44 -2.576 -21.724 0.716 1.00 0.00 C ATOM 717 CE LYS A 44 -2.340 -22.968 -0.130 1.00 0.00 C ATOM 718 NZ LYS A 44 -3.428 -23.975 0.038 1.00 0.00 N ATOM 0 H LYS A 44 0.516 -18.543 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.384 -19.518 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.781 -19.405 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.167 -18.516 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.189 -20.468 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.990 -20.797 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.641 -21.423 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.278 -21.956 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.268 -22.684 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.385 -23.417 0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.227 -24.805 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.480 -24.266 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.336 -23.556 -0.248 1.00 0.00 H new ATOM 732 N HIS A 45 -2.086 -16.352 -1.300 1.00 0.00 N ATOM 733 CA HIS A 45 -2.742 -15.213 -1.939 1.00 0.00 C ATOM 734 C HIS A 45 -1.753 -14.059 -2.141 1.00 0.00 C ATOM 735 O HIS A 45 -1.881 -13.002 -1.518 1.00 0.00 O ATOM 736 CB HIS A 45 -3.931 -14.744 -1.094 1.00 0.00 C ATOM 737 CG HIS A 45 -5.266 -15.131 -1.656 1.00 0.00 C ATOM 738 ND1 HIS A 45 -6.235 -14.209 -1.998 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.798 -16.347 -1.926 1.00 0.00 C ATOM 740 CE1 HIS A 45 -7.302 -14.841 -2.450 1.00 0.00 C ATOM 741 NE2 HIS A 45 -7.063 -16.139 -2.418 1.00 0.00 N ATOM 0 H HIS A 45 -1.440 -16.099 -0.553 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.105 -15.532 -2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.837 -15.158 -0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.889 -13.659 -0.997 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.317 -17.303 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.216 -14.375 -2.789 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.713 -16.869 -2.711 1.00 0.00 H new ATOM 750 N PRO A 46 -0.748 -14.249 -3.020 1.00 0.00 N ATOM 751 CA PRO A 46 0.263 -13.222 -3.302 1.00 0.00 C ATOM 752 C PRO A 46 -0.360 -11.931 -3.826 1.00 0.00 C ATOM 753 O PRO A 46 -0.891 -11.895 -4.938 1.00 0.00 O ATOM 754 CB PRO A 46 1.145 -13.863 -4.382 1.00 0.00 C ATOM 755 CG PRO A 46 0.911 -15.327 -4.246 1.00 0.00 C ATOM 756 CD PRO A 46 -0.517 -15.473 -3.804 1.00 0.00 C ATOM 0 HA PRO A 46 0.811 -12.937 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.872 -13.510 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.196 -13.615 -4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.082 -15.840 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.593 -15.766 -3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.197 -15.543 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.664 -16.371 -3.203 1.00 0.00 H new ATOM 764 N MET A 47 -0.291 -10.874 -3.021 1.00 0.00 N ATOM 765 CA MET A 47 -0.846 -9.583 -3.412 1.00 0.00 C ATOM 766 C MET A 47 0.161 -8.461 -3.173 1.00 0.00 C ATOM 767 O MET A 47 0.821 -8.414 -2.132 1.00 0.00 O ATOM 768 CB MET A 47 -2.153 -9.308 -2.666 1.00 0.00 C ATOM 769 CG MET A 47 -3.355 -9.207 -3.591 1.00 0.00 C ATOM 770 SD MET A 47 -4.558 -7.989 -3.037 1.00 0.00 S ATOM 771 CE MET A 47 -5.672 -7.964 -4.437 1.00 0.00 C ATOM 0 H MET A 47 0.142 -10.886 -2.098 1.00 0.00 H new ATOM 0 HA MET A 47 -1.063 -9.618 -4.480 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.325 -10.103 -1.941 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.055 -8.380 -2.103 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.016 -8.946 -4.594 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.837 -10.182 -3.661 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.668 -7.670 -4.105 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.311 -7.250 -5.177 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.717 -8.957 -4.884 1.00 0.00 H new ATOM 781 N ASP A 48 0.286 -7.572 -4.158 1.00 0.00 N ATOM 782 CA ASP A 48 1.228 -6.453 -4.086 1.00 0.00 C ATOM 783 C ASP A 48 0.560 -5.130 -4.473 1.00 0.00 C ATOM 784 O ASP A 48 -0.629 -5.096 -4.791 1.00 0.00 O ATOM 785 CB ASP A 48 2.431 -6.730 -4.996 1.00 0.00 C ATOM 786 CG ASP A 48 2.039 -6.981 -6.446 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.081 -7.743 -6.692 1.00 0.00 O ATOM 788 OD2 ASP A 48 2.694 -6.415 -7.337 1.00 0.00 O ATOM 0 H ASP A 48 -0.257 -7.605 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 48 1.568 -6.360 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.115 -5.882 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.973 -7.596 -4.617 1.00 0.00 H new ATOM 793 N LEU A 49 1.336 -4.041 -4.436 1.00 0.00 N ATOM 794 CA LEU A 49 0.819 -2.709 -4.773 1.00 0.00 C ATOM 795 C LEU A 49 0.428 -2.606 -6.250 1.00 0.00 C ATOM 796 O LEU A 49 -0.522 -1.902 -6.593 1.00 0.00 O ATOM 797 CB LEU A 49 1.845 -1.619 -4.432 1.00 0.00 C ATOM 798 CG LEU A 49 1.370 -0.583 -3.403 1.00 0.00 C ATOM 799 CD1 LEU A 49 1.836 -0.960 -2.005 1.00 0.00 C ATOM 800 CD2 LEU A 49 1.863 0.812 -3.771 1.00 0.00 C ATOM 0 H LEU A 49 2.322 -4.055 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.078 -2.557 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.749 -2.097 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.119 -1.099 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 49 0.280 -0.574 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.489 -0.213 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.429 -1.935 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.925 -1.003 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.514 1.529 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.953 0.818 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.475 1.088 -4.752 1.00 0.00 H new ATOM 812 N SER A 50 1.163 -3.304 -7.123 1.00 0.00 N ATOM 813 CA SER A 50 0.875 -3.273 -8.559 1.00 0.00 C ATOM 814 C SER A 50 -0.536 -3.780 -8.841 1.00 0.00 C ATOM 815 O SER A 50 -1.244 -3.222 -9.682 1.00 0.00 O ATOM 816 CB SER A 50 1.896 -4.100 -9.346 1.00 0.00 C ATOM 817 OG SER A 50 2.730 -3.264 -10.130 1.00 0.00 O ATOM 0 H SER A 50 1.955 -3.892 -6.862 1.00 0.00 H new ATOM 0 HA SER A 50 0.947 -2.236 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.505 -4.684 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.376 -4.809 -9.991 1.00 0.00 H new ATOM 0 HG SER A 50 3.375 -3.814 -10.622 1.00 0.00 H new ATOM 823 N THR A 51 -0.949 -4.832 -8.129 1.00 0.00 N ATOM 824 CA THR A 51 -2.287 -5.388 -8.306 1.00 0.00 C ATOM 825 C THR A 51 -3.345 -4.398 -7.815 1.00 0.00 C ATOM 826 O THR A 51 -4.418 -4.279 -8.411 1.00 0.00 O ATOM 827 CB THR A 51 -2.422 -6.723 -7.568 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.472 -7.657 -8.048 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.790 -7.351 -7.713 1.00 0.00 C ATOM 0 H THR A 51 -0.379 -5.310 -7.431 1.00 0.00 H new ATOM 0 HA THR A 51 -2.445 -5.568 -9.369 1.00 0.00 H new ATOM 0 HB THR A 51 -2.255 -6.490 -6.516 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.652 -7.593 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.817 -8.294 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.545 -6.676 -7.310 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.995 -7.537 -8.767 1.00 0.00 H new ATOM 837 N VAL A 52 -3.029 -3.677 -6.737 1.00 0.00 N ATOM 838 CA VAL A 52 -3.947 -2.685 -6.182 1.00 0.00 C ATOM 839 C VAL A 52 -4.119 -1.504 -7.142 1.00 0.00 C ATOM 840 O VAL A 52 -5.205 -0.933 -7.244 1.00 0.00 O ATOM 841 CB VAL A 52 -3.465 -2.155 -4.811 1.00 0.00 C ATOM 842 CG1 VAL A 52 -4.529 -1.271 -4.175 1.00 0.00 C ATOM 843 CG2 VAL A 52 -3.093 -3.304 -3.881 1.00 0.00 C ATOM 0 H VAL A 52 -2.146 -3.763 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.904 -3.188 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.571 -1.553 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.172 -0.908 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.736 -0.423 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.442 -1.848 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.758 -2.904 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.964 -3.941 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.291 -3.891 -4.330 1.00 0.00 H new ATOM 853 N LYS A 53 -3.041 -1.145 -7.847 1.00 0.00 N ATOM 854 CA LYS A 53 -3.079 -0.033 -8.798 1.00 0.00 C ATOM 855 C LYS A 53 -4.136 -0.273 -9.876 1.00 0.00 C ATOM 856 O LYS A 53 -4.913 0.626 -10.198 1.00 0.00 O ATOM 857 CB LYS A 53 -1.703 0.174 -9.443 1.00 0.00 C ATOM 858 CG LYS A 53 -1.665 1.307 -10.462 1.00 0.00 C ATOM 859 CD LYS A 53 -0.338 2.050 -10.424 1.00 0.00 C ATOM 860 CE LYS A 53 -0.246 3.101 -11.522 1.00 0.00 C ATOM 861 NZ LYS A 53 0.452 2.588 -12.737 1.00 0.00 N ATOM 0 H LYS A 53 -2.135 -1.608 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.346 0.870 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.972 0.377 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.398 -0.752 -9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.828 0.904 -11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.479 2.004 -10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.217 2.528 -9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.480 1.338 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.249 3.429 -11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.284 3.975 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.491 3.337 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.419 2.299 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.067 1.770 -13.116 1.00 0.00 H new ATOM 875 N ARG A 54 -4.167 -1.489 -10.423 1.00 0.00 N ATOM 876 CA ARG A 54 -5.140 -1.841 -11.457 1.00 0.00 C ATOM 877 C ARG A 54 -6.569 -1.658 -10.944 1.00 0.00 C ATOM 878 O ARG A 54 -7.452 -1.219 -11.683 1.00 0.00 O ATOM 879 CB ARG A 54 -4.932 -3.287 -11.923 1.00 0.00 C ATOM 880 CG ARG A 54 -5.183 -3.494 -13.409 1.00 0.00 C ATOM 881 CD ARG A 54 -5.750 -4.877 -13.698 1.00 0.00 C ATOM 882 NE ARG A 54 -4.934 -5.618 -14.660 1.00 0.00 N ATOM 883 CZ ARG A 54 -4.963 -5.414 -15.980 1.00 0.00 C ATOM 884 NH1 ARG A 54 -5.754 -4.480 -16.504 1.00 0.00 N ATOM 885 NH2 ARG A 54 -4.194 -6.145 -16.779 1.00 0.00 N ATOM 0 H ARG A 54 -3.531 -2.245 -10.168 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.987 -1.172 -12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.911 -3.591 -11.690 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.596 -3.941 -11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.876 -2.734 -13.770 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.250 -3.361 -13.957 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.816 -5.442 -12.768 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.765 -4.779 -14.084 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.304 -6.335 -14.301 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.345 -3.913 -15.896 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.769 -4.332 -17.513 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.583 -6.860 -16.384 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.214 -5.991 -17.787 1.00 0.00 H new ATOM 899 N LYS A 55 -6.787 -1.993 -9.670 1.00 0.00 N ATOM 900 CA LYS A 55 -8.105 -1.859 -9.052 1.00 0.00 C ATOM 901 C LYS A 55 -8.456 -0.389 -8.836 1.00 0.00 C ATOM 902 O LYS A 55 -9.565 0.041 -9.149 1.00 0.00 O ATOM 903 CB LYS A 55 -8.146 -2.610 -7.717 1.00 0.00 C ATOM 904 CG LYS A 55 -8.611 -4.053 -7.835 1.00 0.00 C ATOM 905 CD LYS A 55 -7.651 -4.888 -8.663 1.00 0.00 C ATOM 906 CE LYS A 55 -7.972 -6.370 -8.550 1.00 0.00 C ATOM 907 NZ LYS A 55 -6.879 -7.225 -9.092 1.00 0.00 N ATOM 0 H LYS A 55 -6.067 -2.359 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.842 -2.295 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.151 -2.595 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.809 -2.080 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.705 -4.487 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.601 -4.080 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.705 -4.580 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.629 -4.708 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.145 -6.624 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.897 -6.582 -9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.281 -7.933 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.197 -6.632 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.395 -7.708 -8.308 1.00 0.00 H new ATOM 921 N MET A 56 -7.503 0.380 -8.306 1.00 0.00 N ATOM 922 CA MET A 56 -7.716 1.807 -8.056 1.00 0.00 C ATOM 923 C MET A 56 -7.973 2.560 -9.361 1.00 0.00 C ATOM 924 O MET A 56 -8.778 3.490 -9.401 1.00 0.00 O ATOM 925 CB MET A 56 -6.509 2.415 -7.336 1.00 0.00 C ATOM 926 CG MET A 56 -6.283 1.854 -5.940 1.00 0.00 C ATOM 927 SD MET A 56 -5.338 2.973 -4.885 1.00 0.00 S ATOM 928 CE MET A 56 -6.647 3.995 -4.213 1.00 0.00 C ATOM 0 H MET A 56 -6.578 0.040 -8.042 1.00 0.00 H new ATOM 0 HA MET A 56 -8.595 1.904 -7.419 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.615 2.244 -7.936 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.644 3.494 -7.267 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.247 1.650 -5.474 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.757 0.902 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.219 4.738 -3.540 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.168 4.500 -5.026 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.351 3.370 -3.664 1.00 0.00 H new ATOM 938 N GLU A 57 -7.288 2.146 -10.428 1.00 0.00 N ATOM 939 CA GLU A 57 -7.446 2.773 -11.739 1.00 0.00 C ATOM 940 C GLU A 57 -8.797 2.421 -12.363 1.00 0.00 C ATOM 941 O GLU A 57 -9.321 3.168 -13.191 1.00 0.00 O ATOM 942 CB GLU A 57 -6.318 2.339 -12.675 1.00 0.00 C ATOM 943 CG GLU A 57 -5.079 3.214 -12.583 1.00 0.00 C ATOM 944 CD GLU A 57 -4.569 3.651 -13.942 1.00 0.00 C ATOM 945 OE1 GLU A 57 -4.245 2.771 -14.767 1.00 0.00 O ATOM 946 OE2 GLU A 57 -4.494 4.875 -14.182 1.00 0.00 O ATOM 0 H GLU A 57 -6.617 1.378 -10.409 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.403 3.853 -11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.043 1.309 -12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.685 2.350 -13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.306 4.096 -11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.292 2.669 -12.062 1.00 0.00 H new ATOM 953 N ASN A 58 -9.359 1.282 -11.958 1.00 0.00 N ATOM 954 CA ASN A 58 -10.646 0.833 -12.468 1.00 0.00 C ATOM 955 C ASN A 58 -11.769 1.152 -11.479 1.00 0.00 C ATOM 956 O ASN A 58 -12.933 0.837 -11.735 1.00 0.00 O ATOM 957 CB ASN A 58 -10.606 -0.675 -12.740 1.00 0.00 C ATOM 958 CG ASN A 58 -10.389 -0.994 -14.207 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.216 -0.660 -15.054 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.271 -1.642 -14.517 1.00 0.00 N ATOM 0 H ASN A 58 -8.937 0.653 -11.274 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.846 1.363 -13.399 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.807 -1.126 -12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.541 -1.126 -12.408 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.073 -1.881 -15.489 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.611 -1.901 -13.783 1.00 0.00 H new ATOM 967 N ARG A 59 -11.413 1.770 -10.346 1.00 0.00 N ATOM 968 CA ARG A 59 -12.382 2.122 -9.318 1.00 0.00 C ATOM 969 C ARG A 59 -12.980 0.864 -8.682 1.00 0.00 C ATOM 970 O ARG A 59 -14.153 0.839 -8.305 1.00 0.00 O ATOM 971 CB ARG A 59 -13.479 3.004 -9.911 1.00 0.00 C ATOM 972 CG ARG A 59 -14.249 3.791 -8.865 1.00 0.00 C ATOM 973 CD ARG A 59 -14.957 4.997 -9.468 1.00 0.00 C ATOM 974 NE ARG A 59 -16.307 4.671 -9.927 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.162 5.566 -10.429 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.814 6.847 -10.540 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.371 5.181 -10.822 1.00 0.00 N ATOM 0 H ARG A 59 -10.453 2.035 -10.124 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.871 2.682 -8.535 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.032 3.699 -10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.175 2.379 -10.471 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.982 3.140 -8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.564 4.125 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.010 5.794 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.372 5.379 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.614 3.701 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.888 7.152 -10.240 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.474 7.523 -10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.646 4.202 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.024 5.864 -11.205 1.00 0.00 H new ATOM 991 N ASP A 60 -12.155 -0.176 -8.556 1.00 0.00 N ATOM 992 CA ASP A 60 -12.584 -1.439 -7.959 1.00 0.00 C ATOM 993 C ASP A 60 -12.831 -1.280 -6.458 1.00 0.00 C ATOM 994 O ASP A 60 -13.669 -1.976 -5.883 1.00 0.00 O ATOM 995 CB ASP A 60 -11.532 -2.522 -8.206 1.00 0.00 C ATOM 996 CG ASP A 60 -12.026 -3.909 -7.845 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.796 -4.490 -8.638 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.640 -4.416 -6.770 1.00 0.00 O ATOM 0 H ASP A 60 -11.182 -0.167 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.521 -1.737 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.240 -2.506 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.639 -2.295 -7.623 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.107 -0.350 -5.831 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.259 -0.090 -4.410 1.00 0.00 C ATOM 1005 C TYR A 61 -13.359 0.937 -4.186 1.00 0.00 C ATOM 1006 O TYR A 61 -13.103 2.143 -4.197 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.946 0.424 -3.810 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.832 -0.600 -3.795 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.762 -1.568 -2.799 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.848 -0.594 -4.774 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.741 -2.500 -2.781 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.825 -1.521 -4.762 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.776 -2.472 -3.766 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.757 -3.397 -3.754 1.00 0.00 O ATOM 0 H TYR A 61 -11.409 0.234 -6.293 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.527 -1.024 -3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.617 1.295 -4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.132 0.758 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.517 -1.592 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.883 0.148 -5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.699 -3.245 -2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.066 -1.501 -5.530 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.113 -4.273 -3.496 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.582 0.460 -3.977 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.714 1.352 -3.742 1.00 0.00 C ATOM 1026 C ARG A 62 -15.812 1.733 -2.263 1.00 0.00 C ATOM 1027 O ARG A 62 -16.868 2.171 -1.797 1.00 0.00 O ATOM 1028 CB ARG A 62 -17.021 0.703 -4.210 1.00 0.00 C ATOM 1029 CG ARG A 62 -17.387 -0.570 -3.457 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.349 -1.436 -4.258 1.00 0.00 C ATOM 1031 NE ARG A 62 -19.680 -1.478 -3.657 1.00 0.00 N ATOM 1032 CZ ARG A 62 -20.606 -0.528 -3.822 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -20.356 0.532 -4.587 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -21.785 -0.640 -3.221 1.00 0.00 N ATOM 0 H ARG A 62 -14.815 -0.533 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.550 2.261 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.832 1.423 -4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.940 0.474 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.482 -1.137 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.840 -0.310 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.423 -1.050 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.952 -2.448 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.917 -2.282 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.453 0.624 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.068 1.253 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.983 -1.450 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.492 0.084 -3.346 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.707 1.567 -1.528 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.676 1.895 -0.105 1.00 0.00 C ATOM 1050 C ASP A 63 -13.261 1.789 0.457 1.00 0.00 C ATOM 1051 O ASP A 63 -12.385 1.174 -0.155 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.614 0.970 0.677 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.260 1.666 1.858 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -17.169 2.492 1.636 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.849 1.390 3.004 1.00 0.00 O ATOM 0 H ASP A 63 -13.826 1.208 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.013 2.926 0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.391 0.596 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.054 0.104 1.031 1.00 0.00 H new ATOM 1060 N ALA A 64 -13.049 2.383 1.634 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.744 2.349 2.290 1.00 0.00 C ATOM 1062 C ALA A 64 -11.496 0.994 2.950 1.00 0.00 C ATOM 1063 O ALA A 64 -10.352 0.555 3.061 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.631 3.464 3.320 1.00 0.00 C ATOM 0 H ALA A 64 -13.766 2.893 2.151 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.983 2.501 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.652 3.421 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.752 4.428 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.408 3.342 4.075 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.573 0.334 3.384 1.00 0.00 N ATOM 1071 CA GLN A 65 -12.465 -0.974 4.029 1.00 0.00 C ATOM 1072 C GLN A 65 -11.771 -1.982 3.115 1.00 0.00 C ATOM 1073 O GLN A 65 -10.959 -2.787 3.573 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.851 -1.495 4.421 1.00 0.00 C ATOM 1075 CG GLN A 65 -14.281 -1.089 5.823 1.00 0.00 C ATOM 1076 CD GLN A 65 -15.269 0.061 5.820 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -16.479 -0.144 5.919 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.757 1.281 5.705 1.00 0.00 N ATOM 0 H GLN A 65 -13.527 0.684 3.300 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.863 -0.853 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.585 -1.126 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.854 -2.583 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.729 -1.947 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.401 -0.806 6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.748 1.405 5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.373 2.094 5.696 1.00 0.00 H new ATOM 1087 N GLU A 66 -12.088 -1.933 1.820 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.483 -2.846 0.852 1.00 0.00 C ATOM 1089 C GLU A 66 -10.017 -2.494 0.610 1.00 0.00 C ATOM 1090 O GLU A 66 -9.165 -3.377 0.526 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.243 -2.807 -0.476 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.460 -3.714 -0.517 1.00 0.00 C ATOM 1093 CD GLU A 66 -13.883 -4.048 -1.933 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -14.581 -3.219 -2.556 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -13.513 -5.137 -2.423 1.00 0.00 O ATOM 0 H GLU A 66 -12.756 -1.274 1.420 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.540 -3.852 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.559 -1.782 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.564 -3.090 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.241 -4.636 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.288 -3.231 0.002 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.729 -1.198 0.496 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.365 -0.735 0.258 1.00 0.00 C ATOM 1104 C PHE A 67 -7.475 -0.997 1.473 1.00 0.00 C ATOM 1105 O PHE A 67 -6.418 -1.616 1.351 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.361 0.756 -0.087 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.983 1.322 -0.294 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -6.340 1.187 -1.515 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.331 1.984 0.733 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -5.073 1.705 -1.706 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -5.065 2.503 0.548 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.435 2.364 -0.674 1.00 0.00 C ATOM 0 H PHE A 67 -10.422 -0.452 0.565 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.962 -1.295 -0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.949 0.913 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.855 1.307 0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.834 0.672 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.819 2.096 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.582 1.594 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.568 3.017 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.445 2.770 -0.822 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.910 -0.522 2.641 1.00 0.00 N ATOM 1123 CA ALA A 68 -7.153 -0.703 3.880 1.00 0.00 C ATOM 1124 C ALA A 68 -6.907 -2.183 4.166 1.00 0.00 C ATOM 1125 O ALA A 68 -5.848 -2.556 4.673 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.876 -0.050 5.051 1.00 0.00 C ATOM 0 H ALA A 68 -8.784 -0.008 2.755 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.185 -0.218 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.297 -0.196 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.989 1.017 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.860 -0.503 5.170 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.889 -3.022 3.833 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.774 -4.463 4.048 1.00 0.00 C ATOM 1134 C ALA A 69 -6.676 -5.059 3.169 1.00 0.00 C ATOM 1135 O ALA A 69 -5.909 -5.913 3.615 1.00 0.00 O ATOM 1136 CB ALA A 69 -9.105 -5.153 3.780 1.00 0.00 C ATOM 0 H ALA A 69 -8.771 -2.728 3.414 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.503 -4.629 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.999 -6.225 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.863 -4.755 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.407 -4.973 2.748 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.608 -4.601 1.918 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.603 -5.087 0.972 1.00 0.00 C ATOM 1144 C ASP A 70 -4.192 -4.708 1.421 1.00 0.00 C ATOM 1145 O ASP A 70 -3.263 -5.510 1.310 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.877 -4.528 -0.428 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.862 -5.376 -1.212 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.985 -5.596 -0.715 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.509 -5.819 -2.323 1.00 0.00 O ATOM 0 H ASP A 70 -7.237 -3.894 1.537 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.669 -6.175 0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.266 -3.513 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.939 -4.464 -0.980 1.00 0.00 H new ATOM 1154 N VAL A 71 -4.033 -3.487 1.933 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.730 -3.020 2.401 1.00 0.00 C ATOM 1156 C VAL A 71 -2.276 -3.817 3.626 1.00 0.00 C ATOM 1157 O VAL A 71 -1.118 -4.228 3.715 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.744 -1.514 2.747 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.349 -1.040 3.124 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.291 -0.693 1.584 1.00 0.00 C ATOM 0 H VAL A 71 -4.787 -2.807 2.033 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.027 -3.176 1.582 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.402 -1.370 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.378 0.023 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.997 -1.599 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.670 -1.204 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.291 0.363 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.664 -0.844 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.310 -1.010 1.362 1.00 0.00 H new ATOM 1170 N ARG A 72 -3.201 -4.039 4.563 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.903 -4.795 5.779 1.00 0.00 C ATOM 1172 C ARG A 72 -2.478 -6.228 5.442 1.00 0.00 C ATOM 1173 O ARG A 72 -1.602 -6.794 6.099 1.00 0.00 O ATOM 1174 CB ARG A 72 -4.125 -4.811 6.709 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.805 -5.197 8.147 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.935 -4.812 9.097 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.842 -5.515 10.380 1.00 0.00 N ATOM 1178 CZ ARG A 72 -5.727 -5.381 11.375 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -6.774 -4.570 11.249 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -5.563 -6.063 12.505 1.00 0.00 N ATOM 0 H ARG A 72 -4.163 -3.705 4.502 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.075 -4.303 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.586 -3.823 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.862 -5.509 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.630 -6.271 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.883 -4.706 8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.911 -3.736 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.893 -5.038 8.629 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.053 -6.146 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.909 -4.042 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.442 -4.476 12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.763 -6.687 12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.237 -5.962 13.264 1.00 0.00 H new ATOM 1194 N LEU A 73 -3.103 -6.809 4.412 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.789 -8.174 3.986 1.00 0.00 C ATOM 1196 C LEU A 73 -1.348 -8.280 3.489 1.00 0.00 C ATOM 1197 O LEU A 73 -0.634 -9.222 3.839 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.753 -8.631 2.884 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.520 -10.056 2.363 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.372 -11.057 3.130 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.810 -10.137 0.870 1.00 0.00 C ATOM 0 H LEU A 73 -3.829 -6.354 3.859 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.904 -8.825 4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.773 -8.562 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.677 -7.938 2.046 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.472 -10.309 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.191 -12.060 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.111 -11.022 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.426 -10.806 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.639 -11.155 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.848 -9.860 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.151 -9.454 0.334 1.00 0.00 H new ATOM 1213 N MET A 74 -0.925 -7.315 2.670 1.00 0.00 N ATOM 1214 CA MET A 74 0.435 -7.312 2.129 1.00 0.00 C ATOM 1215 C MET A 74 1.470 -7.246 3.248 1.00 0.00 C ATOM 1216 O MET A 74 2.436 -8.010 3.250 1.00 0.00 O ATOM 1217 CB MET A 74 0.635 -6.137 1.167 1.00 0.00 C ATOM 1218 CG MET A 74 1.854 -6.290 0.268 1.00 0.00 C ATOM 1219 SD MET A 74 2.846 -4.787 0.175 1.00 0.00 S ATOM 1220 CE MET A 74 2.603 -4.332 -1.540 1.00 0.00 C ATOM 0 H MET A 74 -1.501 -6.529 2.368 1.00 0.00 H new ATOM 0 HA MET A 74 0.574 -8.244 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.254 -6.031 0.545 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.732 -5.217 1.744 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.473 -7.106 0.639 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.528 -6.568 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.066 -3.364 -1.729 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.059 -5.084 -2.184 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.536 -4.271 -1.753 1.00 0.00 H new ATOM 1230 N PHE A 75 1.260 -6.335 4.200 1.00 0.00 N ATOM 1231 CA PHE A 75 2.178 -6.182 5.326 1.00 0.00 C ATOM 1232 C PHE A 75 2.253 -7.472 6.140 1.00 0.00 C ATOM 1233 O PHE A 75 3.324 -7.852 6.617 1.00 0.00 O ATOM 1234 CB PHE A 75 1.747 -5.015 6.221 1.00 0.00 C ATOM 1235 CG PHE A 75 2.123 -3.666 5.670 1.00 0.00 C ATOM 1236 CD1 PHE A 75 3.445 -3.368 5.374 1.00 0.00 C ATOM 1237 CD2 PHE A 75 1.156 -2.698 5.448 1.00 0.00 C ATOM 1238 CE1 PHE A 75 3.793 -2.131 4.864 1.00 0.00 C ATOM 1239 CE2 PHE A 75 1.500 -1.460 4.938 1.00 0.00 C ATOM 1240 CZ PHE A 75 2.820 -1.177 4.647 1.00 0.00 C ATOM 0 H PHE A 75 0.466 -5.695 4.213 1.00 0.00 H new ATOM 0 HA PHE A 75 3.169 -5.966 4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.667 -5.054 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.200 -5.136 7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.211 -4.110 5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.123 -2.913 5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.826 -1.912 4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.737 -0.715 4.767 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.091 -0.210 4.250 1.00 0.00 H new ATOM 1250 N SER A 76 1.112 -8.150 6.283 1.00 0.00 N ATOM 1251 CA SER A 76 1.052 -9.406 7.030 1.00 0.00 C ATOM 1252 C SER A 76 1.734 -10.535 6.256 1.00 0.00 C ATOM 1253 O SER A 76 2.395 -11.389 6.849 1.00 0.00 O ATOM 1254 CB SER A 76 -0.401 -9.789 7.330 1.00 0.00 C ATOM 1255 OG SER A 76 -0.891 -9.092 8.464 1.00 0.00 O ATOM 0 H SER A 76 0.219 -7.850 5.892 1.00 0.00 H new ATOM 0 HA SER A 76 1.581 -9.258 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.025 -9.565 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.469 -10.863 7.503 1.00 0.00 H new ATOM 0 HG SER A 76 -1.820 -9.353 8.632 1.00 0.00 H new ATOM 1261 N ASN A 77 1.565 -10.537 4.932 1.00 0.00 N ATOM 1262 CA ASN A 77 2.163 -11.567 4.081 1.00 0.00 C ATOM 1263 C ASN A 77 3.684 -11.449 4.052 1.00 0.00 C ATOM 1264 O ASN A 77 4.392 -12.451 4.158 1.00 0.00 O ATOM 1265 CB ASN A 77 1.609 -11.480 2.655 1.00 0.00 C ATOM 1266 CG ASN A 77 0.271 -12.184 2.504 1.00 0.00 C ATOM 1267 OD1 ASN A 77 -0.054 -13.093 3.267 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.510 -11.769 1.512 1.00 0.00 N ATOM 0 H ASN A 77 1.020 -9.838 4.427 1.00 0.00 H new ATOM 0 HA ASN A 77 1.901 -12.536 4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.498 -10.432 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.327 -11.920 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.418 -12.208 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.201 -11.012 0.903 1.00 0.00 H new ATOM 1275 N CYS A 78 4.184 -10.223 3.901 1.00 0.00 N ATOM 1276 CA CYS A 78 5.625 -9.983 3.854 1.00 0.00 C ATOM 1277 C CYS A 78 6.293 -10.348 5.179 1.00 0.00 C ATOM 1278 O CYS A 78 7.398 -10.892 5.194 1.00 0.00 O ATOM 1279 CB CYS A 78 5.916 -8.520 3.512 1.00 0.00 C ATOM 1280 SG CYS A 78 5.982 -8.174 1.739 1.00 0.00 S ATOM 0 H CYS A 78 3.613 -9.382 3.809 1.00 0.00 H new ATOM 0 HA CYS A 78 6.039 -10.621 3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.148 -7.893 3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.867 -8.235 3.962 1.00 0.00 H new ATOM 0 HG CYS A 78 6.411 -6.961 1.549 1.00 0.00 H new ATOM 1286 N TYR A 79 5.621 -10.044 6.289 1.00 0.00 N ATOM 1287 CA TYR A 79 6.159 -10.340 7.613 1.00 0.00 C ATOM 1288 C TYR A 79 6.285 -11.846 7.837 1.00 0.00 C ATOM 1289 O TYR A 79 7.367 -12.344 8.146 1.00 0.00 O ATOM 1290 CB TYR A 79 5.279 -9.719 8.700 1.00 0.00 C ATOM 1291 CG TYR A 79 5.693 -8.315 9.088 1.00 0.00 C ATOM 1292 CD1 TYR A 79 5.798 -7.308 8.135 1.00 0.00 C ATOM 1293 CD2 TYR A 79 5.977 -7.998 10.410 1.00 0.00 C ATOM 1294 CE1 TYR A 79 6.175 -6.027 8.489 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.354 -6.718 10.772 1.00 0.00 C ATOM 1296 CZ TYR A 79 6.452 -5.737 9.808 1.00 0.00 C ATOM 1297 OH TYR A 79 6.829 -4.462 10.166 1.00 0.00 O ATOM 0 H TYR A 79 4.706 -9.594 6.296 1.00 0.00 H new ATOM 0 HA TYR A 79 7.156 -9.903 7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.246 -9.701 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.307 -10.355 9.585 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.581 -7.531 7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.902 -8.764 11.168 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.252 -5.257 7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.571 -6.488 11.805 1.00 0.00 H new ATOM 0 HH TYR A 79 6.059 -3.860 10.092 1.00 0.00 H new ATOM 1307 N LYS A 80 5.173 -12.568 7.679 1.00 0.00 N ATOM 1308 CA LYS A 80 5.169 -14.020 7.866 1.00 0.00 C ATOM 1309 C LYS A 80 6.110 -14.712 6.878 1.00 0.00 C ATOM 1310 O LYS A 80 6.688 -15.753 7.190 1.00 0.00 O ATOM 1311 CB LYS A 80 3.751 -14.584 7.722 1.00 0.00 C ATOM 1312 CG LYS A 80 3.128 -14.356 6.352 1.00 0.00 C ATOM 1313 CD LYS A 80 1.620 -14.550 6.388 1.00 0.00 C ATOM 1314 CE LYS A 80 1.209 -15.878 5.769 1.00 0.00 C ATOM 1315 NZ LYS A 80 1.354 -15.876 4.285 1.00 0.00 N ATOM 0 H LYS A 80 4.268 -12.173 7.423 1.00 0.00 H new ATOM 0 HA LYS A 80 5.527 -14.220 8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.775 -15.655 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.112 -14.130 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.358 -13.347 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.568 -15.046 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.272 -14.506 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.135 -13.733 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.818 -16.678 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.173 -16.094 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.421 -16.004 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.760 -14.970 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.982 -16.653 3.997 1.00 0.00 H new ATOM 1329 N TYR A 81 6.258 -14.128 5.688 1.00 0.00 N ATOM 1330 CA TYR A 81 7.128 -14.689 4.658 1.00 0.00 C ATOM 1331 C TYR A 81 8.586 -14.715 5.122 1.00 0.00 C ATOM 1332 O TYR A 81 9.181 -15.786 5.252 1.00 0.00 O ATOM 1333 CB TYR A 81 7.001 -13.886 3.360 1.00 0.00 C ATOM 1334 CG TYR A 81 7.926 -14.353 2.256 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.869 -15.656 1.778 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.855 -13.487 1.693 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.711 -16.083 0.771 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.700 -13.907 0.683 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.624 -15.205 0.226 1.00 0.00 C ATOM 1340 OH TYR A 81 10.463 -15.628 -0.780 1.00 0.00 O ATOM 0 H TYR A 81 5.786 -13.266 5.415 1.00 0.00 H new ATOM 0 HA TYR A 81 6.812 -15.716 4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.971 -13.945 3.007 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.205 -12.837 3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.154 -16.346 2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.918 -12.470 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.655 -17.100 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.416 -13.222 0.254 1.00 0.00 H new ATOM 0 HH TYR A 81 11.044 -14.888 -1.054 1.00 0.00 H new ATOM 1350 N ASN A 82 9.155 -13.534 5.371 1.00 0.00 N ATOM 1351 CA ASN A 82 10.540 -13.430 5.822 1.00 0.00 C ATOM 1352 C ASN A 82 10.613 -12.792 7.211 1.00 0.00 C ATOM 1353 O ASN A 82 10.062 -11.712 7.432 1.00 0.00 O ATOM 1354 CB ASN A 82 11.372 -12.615 4.825 1.00 0.00 C ATOM 1355 CG ASN A 82 12.821 -13.062 4.784 1.00 0.00 C ATOM 1356 OD1 ASN A 82 13.610 -12.723 5.665 1.00 0.00 O ATOM 1357 ND2 ASN A 82 13.180 -13.827 3.758 1.00 0.00 N ATOM 0 H ASN A 82 8.677 -12.639 5.268 1.00 0.00 H new ATOM 0 HA ASN A 82 10.951 -14.438 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.937 -12.709 3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.327 -11.560 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.142 -14.156 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.493 -14.085 3.049 1.00 0.00 H new ATOM 1364 N PRO A 83 11.297 -13.456 8.169 1.00 0.00 N ATOM 1365 CA PRO A 83 11.439 -12.948 9.542 1.00 0.00 C ATOM 1366 C PRO A 83 12.205 -11.627 9.595 1.00 0.00 C ATOM 1367 O PRO A 83 12.997 -11.323 8.700 1.00 0.00 O ATOM 1368 CB PRO A 83 12.216 -14.056 10.264 1.00 0.00 C ATOM 1369 CG PRO A 83 12.898 -14.817 9.180 1.00 0.00 C ATOM 1370 CD PRO A 83 11.984 -14.749 7.990 1.00 0.00 C ATOM 0 HA PRO A 83 10.472 -12.732 9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.937 -13.639 10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.547 -14.698 10.837 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.871 -14.382 8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.073 -15.850 9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.539 -14.784 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.280 -15.581 7.975 1.00 0.00 H new ATOM 1378 N PRO A 84 11.975 -10.817 10.647 1.00 0.00 N ATOM 1379 CA PRO A 84 12.638 -9.521 10.808 1.00 0.00 C ATOM 1380 C PRO A 84 14.126 -9.658 11.109 1.00 0.00 C ATOM 1381 O PRO A 84 14.523 -9.980 12.231 1.00 0.00 O ATOM 1382 CB PRO A 84 11.918 -8.867 11.987 1.00 0.00 C ATOM 1383 CG PRO A 84 10.721 -9.720 12.263 1.00 0.00 C ATOM 1384 CD PRO A 84 11.049 -11.093 11.754 1.00 0.00 C ATOM 0 HA PRO A 84 12.582 -8.936 9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.568 -8.813 12.860 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.622 -7.846 11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.500 -9.745 13.330 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.838 -9.322 11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.512 -11.710 12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.159 -11.622 11.414 1.00 0.00 H new ATOM 1392 N ASP A 85 14.934 -9.400 10.092 1.00 0.00 N ATOM 1393 CA ASP A 85 16.392 -9.474 10.199 1.00 0.00 C ATOM 1394 C ASP A 85 17.044 -9.198 8.840 1.00 0.00 C ATOM 1395 O ASP A 85 17.966 -9.903 8.424 1.00 0.00 O ATOM 1396 CB ASP A 85 16.828 -10.853 10.726 1.00 0.00 C ATOM 1397 CG ASP A 85 17.567 -10.763 12.049 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.561 -10.010 12.125 1.00 0.00 O ATOM 1399 OD2 ASP A 85 17.154 -11.449 13.008 1.00 0.00 O ATOM 0 H ASP A 85 14.601 -9.133 9.166 1.00 0.00 H new ATOM 0 HA ASP A 85 16.721 -8.712 10.906 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.949 -11.487 10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.469 -11.334 9.988 1.00 0.00 H new ATOM 1404 N HIS A 86 16.549 -8.170 8.144 1.00 0.00 N ATOM 1405 CA HIS A 86 17.075 -7.812 6.828 1.00 0.00 C ATOM 1406 C HIS A 86 16.642 -6.405 6.415 1.00 0.00 C ATOM 1407 O HIS A 86 15.802 -5.783 7.069 1.00 0.00 O ATOM 1408 CB HIS A 86 16.597 -8.827 5.784 1.00 0.00 C ATOM 1409 CG HIS A 86 17.602 -9.109 4.708 1.00 0.00 C ATOM 1410 ND1 HIS A 86 17.282 -9.136 3.366 1.00 0.00 N ATOM 1411 CD2 HIS A 86 18.927 -9.384 4.782 1.00 0.00 C ATOM 1412 CE1 HIS A 86 18.366 -9.415 2.662 1.00 0.00 C ATOM 1413 NE2 HIS A 86 19.376 -9.568 3.497 1.00 0.00 N ATOM 0 H HIS A 86 15.788 -7.575 8.470 1.00 0.00 H new ATOM 0 HA HIS A 86 18.163 -7.827 6.886 1.00 0.00 H new ATOM 0 HB2 HIS A 86 16.346 -9.761 6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.681 -8.457 5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.519 -9.447 5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 86 18.416 -9.503 1.587 1.00 0.00 H new ATOM 0 HE2 HIS A 86 20.336 -9.788 3.231 1.00 0.00 H new ATOM 1422 N ASP A 87 17.217 -5.915 5.315 1.00 0.00 N ATOM 1423 CA ASP A 87 16.892 -4.586 4.801 1.00 0.00 C ATOM 1424 C ASP A 87 15.513 -4.570 4.138 1.00 0.00 C ATOM 1425 O ASP A 87 14.796 -3.571 4.210 1.00 0.00 O ATOM 1426 CB ASP A 87 17.954 -4.124 3.798 1.00 0.00 C ATOM 1427 CG ASP A 87 18.169 -2.624 3.835 1.00 0.00 C ATOM 1428 OD1 ASP A 87 19.001 -2.163 4.645 1.00 0.00 O ATOM 1429 OD2 ASP A 87 17.505 -1.908 3.056 1.00 0.00 O ATOM 0 H ASP A 87 17.911 -6.420 4.764 1.00 0.00 H new ATOM 0 HA ASP A 87 16.876 -3.899 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.896 -4.629 4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.654 -4.421 2.793 1.00 0.00 H new ATOM 1434 N VAL A 88 15.149 -5.679 3.492 1.00 0.00 N ATOM 1435 CA VAL A 88 13.856 -5.784 2.817 1.00 0.00 C ATOM 1436 C VAL A 88 12.704 -5.623 3.808 1.00 0.00 C ATOM 1437 O VAL A 88 11.782 -4.839 3.576 1.00 0.00 O ATOM 1438 CB VAL A 88 13.703 -7.133 2.076 1.00 0.00 C ATOM 1439 CG1 VAL A 88 12.399 -7.166 1.289 1.00 0.00 C ATOM 1440 CG2 VAL A 88 14.890 -7.385 1.155 1.00 0.00 C ATOM 0 H VAL A 88 15.730 -6.514 3.422 1.00 0.00 H new ATOM 0 HA VAL A 88 13.820 -4.977 2.085 1.00 0.00 H new ATOM 0 HB VAL A 88 13.677 -7.928 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.309 -8.123 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.559 -7.041 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.395 -6.358 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.759 -8.340 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.954 -6.585 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.808 -7.411 1.743 1.00 0.00 H new ATOM 1450 N VAL A 89 12.765 -6.362 4.914 1.00 0.00 N ATOM 1451 CA VAL A 89 11.726 -6.292 5.940 1.00 0.00 C ATOM 1452 C VAL A 89 11.703 -4.914 6.603 1.00 0.00 C ATOM 1453 O VAL A 89 10.639 -4.409 6.964 1.00 0.00 O ATOM 1454 CB VAL A 89 11.916 -7.374 7.024 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.722 -7.400 7.968 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.135 -8.742 6.389 1.00 0.00 C ATOM 0 H VAL A 89 13.521 -7.015 5.123 1.00 0.00 H new ATOM 0 HA VAL A 89 10.776 -6.468 5.436 1.00 0.00 H new ATOM 0 HB VAL A 89 12.804 -7.125 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.874 -8.169 8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.620 -6.429 8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.816 -7.621 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.267 -9.489 7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.270 -9.003 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.026 -8.713 5.761 1.00 0.00 H new ATOM 1466 N ALA A 90 12.883 -4.307 6.751 1.00 0.00 N ATOM 1467 CA ALA A 90 12.997 -2.984 7.360 1.00 0.00 C ATOM 1468 C ALA A 90 12.199 -1.946 6.572 1.00 0.00 C ATOM 1469 O ALA A 90 11.533 -1.092 7.158 1.00 0.00 O ATOM 1470 CB ALA A 90 14.458 -2.562 7.457 1.00 0.00 C ATOM 0 H ALA A 90 13.772 -4.712 6.457 1.00 0.00 H new ATOM 0 HA ALA A 90 12.582 -3.043 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.522 -1.574 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.004 -3.280 8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.894 -2.530 6.459 1.00 0.00 H new ATOM 1476 N MET A 91 12.267 -2.029 5.239 1.00 0.00 N ATOM 1477 CA MET A 91 11.544 -1.095 4.374 1.00 0.00 C ATOM 1478 C MET A 91 10.035 -1.183 4.615 1.00 0.00 C ATOM 1479 O MET A 91 9.337 -0.168 4.594 1.00 0.00 O ATOM 1480 CB MET A 91 11.852 -1.375 2.898 1.00 0.00 C ATOM 1481 CG MET A 91 13.028 -0.580 2.352 1.00 0.00 C ATOM 1482 SD MET A 91 12.776 -0.053 0.646 1.00 0.00 S ATOM 1483 CE MET A 91 13.915 1.324 0.542 1.00 0.00 C ATOM 0 H MET A 91 12.813 -2.730 4.739 1.00 0.00 H new ATOM 0 HA MET A 91 11.878 -0.087 4.620 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.057 -2.439 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.967 -1.150 2.303 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.192 0.297 2.979 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.931 -1.187 2.411 1.00 0.00 H new ATOM 0 HE1 MET A 91 13.357 2.247 0.386 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.484 1.396 1.469 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.599 1.168 -0.292 1.00 0.00 H new ATOM 1493 N ALA A 92 9.539 -2.401 4.849 1.00 0.00 N ATOM 1494 CA ALA A 92 8.115 -2.620 5.100 1.00 0.00 C ATOM 1495 C ALA A 92 7.666 -1.895 6.364 1.00 0.00 C ATOM 1496 O ALA A 92 6.658 -1.188 6.359 1.00 0.00 O ATOM 1497 CB ALA A 92 7.816 -4.109 5.209 1.00 0.00 C ATOM 0 H ALA A 92 10.104 -3.250 4.870 1.00 0.00 H new ATOM 0 HA ALA A 92 7.557 -2.212 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.752 -4.254 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.092 -4.605 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.390 -4.536 6.031 1.00 0.00 H new ATOM 1503 N ARG A 93 8.424 -2.074 7.447 1.00 0.00 N ATOM 1504 CA ARG A 93 8.106 -1.432 8.721 1.00 0.00 C ATOM 1505 C ARG A 93 8.048 0.088 8.567 1.00 0.00 C ATOM 1506 O ARG A 93 7.179 0.743 9.143 1.00 0.00 O ATOM 1507 CB ARG A 93 9.141 -1.815 9.782 1.00 0.00 C ATOM 1508 CG ARG A 93 8.593 -1.814 11.202 1.00 0.00 C ATOM 1509 CD ARG A 93 9.476 -2.623 12.141 1.00 0.00 C ATOM 1510 NE ARG A 93 10.266 -1.766 13.023 1.00 0.00 N ATOM 1511 CZ ARG A 93 11.442 -1.229 12.685 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.976 -1.463 11.487 1.00 0.00 N ATOM 1513 NH2 ARG A 93 12.086 -0.453 13.547 1.00 0.00 N ATOM 0 H ARG A 93 9.261 -2.657 7.466 1.00 0.00 H new ATOM 0 HA ARG A 93 7.125 -1.782 9.041 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.532 -2.807 9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.980 -1.121 9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.519 -0.788 11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.584 -2.226 11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.854 -3.287 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.144 -3.255 11.556 1.00 0.00 H new ATOM 0 HE ARG A 93 9.897 -1.566 13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.487 -2.057 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.874 -1.048 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.683 -0.267 14.466 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.984 -0.042 13.291 1.00 0.00 H new ATOM 1527 N LYS A 94 8.971 0.642 7.778 1.00 0.00 N ATOM 1528 CA LYS A 94 9.017 2.082 7.541 1.00 0.00 C ATOM 1529 C LYS A 94 7.757 2.555 6.813 1.00 0.00 C ATOM 1530 O LYS A 94 7.226 3.627 7.109 1.00 0.00 O ATOM 1531 CB LYS A 94 10.266 2.449 6.734 1.00 0.00 C ATOM 1532 CG LYS A 94 11.513 2.638 7.588 1.00 0.00 C ATOM 1533 CD LYS A 94 12.583 3.437 6.856 1.00 0.00 C ATOM 1534 CE LYS A 94 12.568 4.903 7.267 1.00 0.00 C ATOM 1535 NZ LYS A 94 13.203 5.122 8.598 1.00 0.00 N ATOM 0 H LYS A 94 9.696 0.113 7.293 1.00 0.00 H new ATOM 0 HA LYS A 94 9.062 2.585 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.455 1.667 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.073 3.368 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.246 3.149 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.914 1.664 7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.564 3.010 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.424 3.359 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.091 5.495 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.539 5.260 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.170 6.134 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.689 4.579 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.193 4.806 8.566 1.00 0.00 H new ATOM 1549 N LEU A 95 7.277 1.747 5.864 1.00 0.00 N ATOM 1550 CA LEU A 95 6.074 2.084 5.104 1.00 0.00 C ATOM 1551 C LEU A 95 4.834 2.038 5.997 1.00 0.00 C ATOM 1552 O LEU A 95 3.929 2.860 5.853 1.00 0.00 O ATOM 1553 CB LEU A 95 5.899 1.130 3.916 1.00 0.00 C ATOM 1554 CG LEU A 95 5.160 1.720 2.707 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.148 2.273 1.690 1.00 0.00 C ATOM 1556 CD2 LEU A 95 4.263 0.670 2.063 1.00 0.00 C ATOM 0 H LEU A 95 7.703 0.857 5.605 1.00 0.00 H new ATOM 0 HA LEU A 95 6.192 3.099 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.884 0.795 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.358 0.247 4.256 1.00 0.00 H new ATOM 0 HG LEU A 95 4.534 2.541 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.603 2.686 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.747 3.057 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.803 1.472 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.747 1.107 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.870 -0.172 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.529 0.323 2.790 1.00 0.00 H new ATOM 1568 N GLN A 96 4.798 1.075 6.923 1.00 0.00 N ATOM 1569 CA GLN A 96 3.667 0.935 7.838 1.00 0.00 C ATOM 1570 C GLN A 96 3.459 2.213 8.647 1.00 0.00 C ATOM 1571 O GLN A 96 2.324 2.633 8.874 1.00 0.00 O ATOM 1572 CB GLN A 96 3.879 -0.253 8.780 1.00 0.00 C ATOM 1573 CG GLN A 96 3.362 -1.568 8.219 1.00 0.00 C ATOM 1574 CD GLN A 96 3.372 -2.693 9.238 1.00 0.00 C ATOM 1575 OE1 GLN A 96 4.509 -2.893 9.896 1.00 0.00 O flip ATOM 1576 NE2 GLN A 96 2.368 -3.381 9.427 1.00 0.00 N flip ATOM 0 H GLN A 96 5.537 0.385 7.057 1.00 0.00 H new ATOM 0 HA GLN A 96 2.774 0.754 7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.943 -0.351 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.380 -0.049 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.345 -1.426 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.972 -1.856 7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.515 -3.194 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.390 -4.138 10.110 1.00 0.00 H new ATOM 1585 N ASP A 97 4.562 2.832 9.072 1.00 0.00 N ATOM 1586 CA ASP A 97 4.498 4.070 9.846 1.00 0.00 C ATOM 1587 C ASP A 97 3.714 5.141 9.089 1.00 0.00 C ATOM 1588 O ASP A 97 2.931 5.886 9.681 1.00 0.00 O ATOM 1589 CB ASP A 97 5.908 4.578 10.163 1.00 0.00 C ATOM 1590 CG ASP A 97 6.472 3.977 11.438 1.00 0.00 C ATOM 1591 OD1 ASP A 97 6.514 2.732 11.541 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.876 4.751 12.331 1.00 0.00 O ATOM 0 H ASP A 97 5.508 2.496 8.893 1.00 0.00 H new ATOM 0 HA ASP A 97 3.982 3.858 10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.571 4.342 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.887 5.664 10.256 1.00 0.00 H new ATOM 1597 N VAL A 98 3.924 5.205 7.774 1.00 0.00 N ATOM 1598 CA VAL A 98 3.232 6.177 6.933 1.00 0.00 C ATOM 1599 C VAL A 98 1.721 5.930 6.935 1.00 0.00 C ATOM 1600 O VAL A 98 0.934 6.874 6.875 1.00 0.00 O ATOM 1601 CB VAL A 98 3.749 6.146 5.478 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.142 7.285 4.672 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.272 6.211 5.442 1.00 0.00 C ATOM 0 H VAL A 98 4.568 4.595 7.270 1.00 0.00 H new ATOM 0 HA VAL A 98 3.439 7.160 7.356 1.00 0.00 H new ATOM 0 HB VAL A 98 3.441 5.203 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.517 7.248 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.056 7.187 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.417 8.238 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.613 6.188 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.608 7.134 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.685 5.357 5.979 1.00 0.00 H new ATOM 1613 N PHE A 99 1.323 4.658 7.008 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.094 4.297 7.022 1.00 0.00 C ATOM 1615 C PHE A 99 -0.794 4.880 8.249 1.00 0.00 C ATOM 1616 O PHE A 99 -1.865 5.476 8.132 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.261 2.774 6.995 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.685 2.320 6.802 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -2.427 2.758 5.715 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.278 1.453 7.707 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -3.733 2.342 5.536 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.583 1.035 7.532 1.00 0.00 C ATOM 1623 CZ PHE A 99 -4.311 1.479 6.446 1.00 0.00 C ATOM 0 H PHE A 99 1.961 3.864 7.058 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.557 4.718 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.353 2.365 6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.119 2.360 7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.979 3.432 5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.714 1.101 8.558 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.300 2.691 4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.034 0.361 8.245 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.331 1.152 6.308 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.186 4.705 9.424 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.760 5.218 10.669 1.00 0.00 C ATOM 1635 C GLU A 100 -0.913 6.739 10.621 1.00 0.00 C ATOM 1636 O GLU A 100 -1.945 7.278 11.024 1.00 0.00 O ATOM 1637 CB GLU A 100 0.106 4.812 11.868 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.565 3.802 12.786 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.659 2.421 12.166 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -1.439 2.252 11.205 1.00 0.00 O ATOM 1641 OE2 GLU A 100 0.050 1.508 12.640 1.00 0.00 O ATOM 0 H GLU A 100 0.700 4.214 9.539 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.751 4.779 10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.044 4.393 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.357 5.703 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.007 3.739 13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.566 4.153 13.036 1.00 0.00 H new ATOM 1648 N PHE A 101 0.113 7.423 10.115 1.00 0.00 N ATOM 1649 CA PHE A 101 0.086 8.881 10.005 1.00 0.00 C ATOM 1650 C PHE A 101 -0.907 9.324 8.929 1.00 0.00 C ATOM 1651 O PHE A 101 -1.609 10.324 9.095 1.00 0.00 O ATOM 1652 CB PHE A 101 1.485 9.415 9.679 1.00 0.00 C ATOM 1653 CG PHE A 101 1.850 10.665 10.434 1.00 0.00 C ATOM 1654 CD1 PHE A 101 2.373 10.590 11.716 1.00 0.00 C ATOM 1655 CD2 PHE A 101 1.672 11.915 9.860 1.00 0.00 C ATOM 1656 CE1 PHE A 101 2.712 11.737 12.409 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.009 13.064 10.550 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.529 12.975 11.826 1.00 0.00 C ATOM 0 H PHE A 101 0.972 6.991 9.775 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.235 9.290 10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.220 8.641 9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.546 9.617 8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.517 9.625 12.178 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.265 11.991 8.862 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.120 11.665 13.406 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.866 14.031 10.091 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.792 13.872 12.367 1.00 0.00 H new ATOM 1668 N ARG A 102 -0.962 8.571 7.829 1.00 0.00 N ATOM 1669 CA ARG A 102 -1.864 8.873 6.726 1.00 0.00 C ATOM 1670 C ARG A 102 -3.321 8.639 7.127 1.00 0.00 C ATOM 1671 O ARG A 102 -4.211 9.384 6.716 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.493 8.010 5.521 1.00 0.00 C ATOM 1673 CG ARG A 102 -2.454 8.125 4.354 1.00 0.00 C ATOM 1674 CD ARG A 102 -3.574 7.102 4.453 1.00 0.00 C ATOM 1675 NE ARG A 102 -3.755 6.362 3.203 1.00 0.00 N ATOM 1676 CZ ARG A 102 -2.874 5.480 2.723 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -1.756 5.209 3.392 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -3.112 4.868 1.569 1.00 0.00 N ATOM 0 H ARG A 102 -0.386 7.742 7.682 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.761 9.926 6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.494 8.287 5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.445 6.968 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.878 9.129 4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.912 7.983 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.355 6.402 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.504 7.607 4.713 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.606 6.530 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.566 5.676 4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.089 4.534 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.966 5.072 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.440 4.194 1.201 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.554 7.606 7.937 1.00 0.00 N ATOM 1693 CA TYR A 103 -4.902 7.281 8.405 1.00 0.00 C ATOM 1694 C TYR A 103 -5.460 8.390 9.300 1.00 0.00 C ATOM 1695 O TYR A 103 -6.675 8.551 9.409 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.900 5.951 9.164 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.917 4.954 8.651 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -5.992 4.640 7.300 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.801 4.326 9.520 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -6.919 3.729 6.829 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.730 3.413 9.057 1.00 0.00 C ATOM 1702 CZ TYR A 103 -7.785 3.119 7.711 1.00 0.00 C ATOM 1703 OH TYR A 103 -8.708 2.211 7.245 1.00 0.00 O ATOM 0 H TYR A 103 -2.827 6.980 8.283 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.544 7.191 7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.906 5.508 9.100 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.095 6.145 10.219 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.315 5.116 6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.762 4.555 10.575 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -6.964 3.496 5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.409 2.933 9.746 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.241 1.872 7.995 1.00 0.00 H new ATOM 1713 N ALA A 104 -4.568 9.153 9.940 1.00 0.00 N ATOM 1714 CA ALA A 104 -4.981 10.247 10.818 1.00 0.00 C ATOM 1715 C ALA A 104 -5.476 11.447 10.011 1.00 0.00 C ATOM 1716 O ALA A 104 -6.462 12.085 10.379 1.00 0.00 O ATOM 1717 CB ALA A 104 -3.834 10.664 11.731 1.00 0.00 C ATOM 0 H ALA A 104 -3.558 9.032 9.865 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.806 9.887 11.432 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.161 11.479 12.377 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.530 9.815 12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.990 10.996 11.126 1.00 0.00 H new ATOM 1723 N LYS A 105 -4.784 11.748 8.908 1.00 0.00 N ATOM 1724 CA LYS A 105 -5.155 12.871 8.046 1.00 0.00 C ATOM 1725 C LYS A 105 -6.113 12.438 6.925 1.00 0.00 C ATOM 1726 O LYS A 105 -6.531 13.262 6.110 1.00 0.00 O ATOM 1727 CB LYS A 105 -3.897 13.510 7.440 1.00 0.00 C ATOM 1728 CG LYS A 105 -3.368 14.694 8.236 1.00 0.00 C ATOM 1729 CD LYS A 105 -2.204 14.294 9.131 1.00 0.00 C ATOM 1730 CE LYS A 105 -2.135 15.166 10.376 1.00 0.00 C ATOM 1731 NZ LYS A 105 -0.756 15.237 10.937 1.00 0.00 N ATOM 0 H LYS A 105 -3.965 11.229 8.592 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.675 13.603 8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.115 12.754 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.120 13.837 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.048 15.479 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.170 15.110 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.310 13.249 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.270 14.377 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.479 16.171 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.813 14.771 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.802 15.217 11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.202 14.424 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.300 16.119 10.628 1.00 0.00 H new ATOM 1745 N MET A 106 -6.459 11.148 6.883 1.00 0.00 N ATOM 1746 CA MET A 106 -7.361 10.628 5.857 1.00 0.00 C ATOM 1747 C MET A 106 -8.784 11.168 6.029 1.00 0.00 C ATOM 1748 O MET A 106 -9.379 11.665 5.071 1.00 0.00 O ATOM 1749 CB MET A 106 -7.378 9.095 5.880 1.00 0.00 C ATOM 1750 CG MET A 106 -7.231 8.466 4.504 1.00 0.00 C ATOM 1751 SD MET A 106 -8.775 7.770 3.884 1.00 0.00 S ATOM 1752 CE MET A 106 -9.036 6.424 5.037 1.00 0.00 C ATOM 0 H MET A 106 -6.128 10.448 7.547 1.00 0.00 H new ATOM 0 HA MET A 106 -6.985 10.967 4.892 1.00 0.00 H new ATOM 0 HB2 MET A 106 -6.571 8.740 6.521 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.313 8.757 6.327 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.870 9.218 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.476 7.681 4.547 1.00 0.00 H new ATOM 0 HE1 MET A 106 -9.680 5.673 4.580 1.00 0.00 H new ATOM 0 HE2 MET A 106 -8.077 5.973 5.293 1.00 0.00 H new ATOM 0 HE3 MET A 106 -9.510 6.806 5.941 1.00 0.00 H new ATOM 1762 N PRO A 107 -9.354 11.073 7.251 1.00 0.00 N ATOM 1763 CA PRO A 107 -10.716 11.552 7.536 1.00 0.00 C ATOM 1764 C PRO A 107 -10.847 13.068 7.372 1.00 0.00 C ATOM 1765 O PRO A 107 -10.847 13.813 8.355 1.00 0.00 O ATOM 1766 CB PRO A 107 -10.948 11.145 9.002 1.00 0.00 C ATOM 1767 CG PRO A 107 -9.904 10.124 9.297 1.00 0.00 C ATOM 1768 CD PRO A 107 -8.726 10.489 8.447 1.00 0.00 C ATOM 0 HA PRO A 107 -11.446 11.128 6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.858 12.004 9.667 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.949 10.736 9.143 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.640 10.129 10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.260 9.121 9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.071 11.201 8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.120 9.617 8.201 1.00 0.00 H new ATOM 1776 N ASP A 108 -10.955 13.518 6.119 1.00 0.00 N ATOM 1777 CA ASP A 108 -11.082 14.943 5.810 1.00 0.00 C ATOM 1778 C ASP A 108 -9.888 15.736 6.361 1.00 0.00 C ATOM 1779 O ASP A 108 -8.876 15.153 6.756 1.00 0.00 O ATOM 1780 CB ASP A 108 -12.402 15.493 6.371 1.00 0.00 C ATOM 1781 CG ASP A 108 -13.066 16.482 5.431 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -13.535 16.055 4.354 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -13.114 17.684 5.770 1.00 0.00 O ATOM 0 H ASP A 108 -10.957 12.912 5.299 1.00 0.00 H new ATOM 0 HA ASP A 108 -11.088 15.058 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.084 14.665 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -12.212 15.978 7.328 1.00 0.00 H new