USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.386 K(o=-0.39,f=-4!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot -29:sc= -0.961 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 167:sc= -0.023 (180deg=-0.247) USER MOD Single : A 21 THR OG1 : rot 10:sc= 0.697 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.71 K(o=0.71,f=-0.13) USER MOD Single : A 29 CYS SG : rot -48:sc= -0.13 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 31 THR OG1 : rot 58:sc= 0.226 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 74:sc= 0.115 USER MOD Single : A 45 MET CE :methyl 161:sc= -0.149 (180deg=-0.65) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 58 ASN :FLIP amide:sc=-0.00533 F(o=-0.57,f=-0.0053) USER MOD Single : A 61 MET CE :methyl 134:sc= -2.15 (180deg=-3.8!) USER MOD Single : A 62 THR OG1 : rot -2:sc= 0.224 USER MOD Single : A 68 ASN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 146:sc= 0.863 (180deg=0.271) USER MOD Single : A 79 CYS SG : rot -42:sc=-0.00896 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.678 USER MOD Single : A 83 SER OG : rot 180:sc= -0.241 USER MOD Single : A 86 GLN : amide:sc= -0.473 K(o=-0.47,f=-2.8!) USER MOD Single : A 93 MET CE :methyl -129:sc= -0.13 (180deg=-2.2) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot -35:sc= -0.118 USER MOD Single : A 102 THR OG1 : rot 75:sc= 0.705 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 76:sc= -0.843 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 170:sc= 0.0322 USER MOD Single : A 116 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.21) USER MOD Single : A 118 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=-0.043) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 126 HIS : no HD1:sc= -0.0851 X(o=-0.085,f=-0.016) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.057 -15.644 -36.003 1.00 0.00 N ATOM 2 CA MET A 1 18.674 -16.157 -36.225 1.00 0.00 C ATOM 3 C MET A 1 18.710 -17.627 -36.710 1.00 0.00 C ATOM 4 O MET A 1 19.328 -17.934 -37.736 1.00 0.00 O ATOM 5 CB MET A 1 17.920 -15.256 -37.245 1.00 0.00 C ATOM 6 CG MET A 1 16.481 -15.698 -37.563 1.00 0.00 C ATOM 7 SD MET A 1 15.659 -14.610 -38.753 1.00 0.00 S ATOM 8 CE MET A 1 14.071 -15.437 -38.951 1.00 0.00 C ATOM 0 H1 MET A 1 20.013 -14.657 -35.678 1.00 0.00 H new ATOM 0 H2 MET A 1 20.531 -16.225 -35.282 1.00 0.00 H new ATOM 0 H3 MET A 1 20.592 -15.692 -36.893 1.00 0.00 H new ATOM 0 HA MET A 1 18.136 -16.127 -35.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.894 -14.238 -36.858 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.490 -15.229 -38.174 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.497 -16.714 -37.957 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.901 -15.723 -36.640 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.456 -14.879 -39.657 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.231 -16.447 -39.328 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.563 -15.486 -37.988 1.00 0.00 H new ATOM 20 N GLY A 2 18.043 -18.522 -35.962 1.00 0.00 N ATOM 21 CA GLY A 2 17.985 -19.953 -36.291 1.00 0.00 C ATOM 22 C GLY A 2 17.143 -20.738 -35.287 1.00 0.00 C ATOM 23 O GLY A 2 16.096 -20.250 -34.847 1.00 0.00 O ATOM 0 H GLY A 2 17.531 -18.273 -35.116 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.568 -20.079 -37.290 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.996 -20.361 -36.314 1.00 0.00 H new ATOM 27 N GLN A 3 17.582 -21.958 -34.908 1.00 0.00 N ATOM 28 CA GLN A 3 16.845 -22.791 -33.932 1.00 0.00 C ATOM 29 C GLN A 3 17.392 -22.597 -32.493 1.00 0.00 C ATOM 30 O GLN A 3 18.341 -23.268 -32.063 1.00 0.00 O ATOM 31 CB GLN A 3 16.859 -24.288 -34.347 1.00 0.00 C ATOM 32 CG GLN A 3 15.998 -25.200 -33.438 1.00 0.00 C ATOM 33 CD GLN A 3 15.872 -26.642 -33.926 1.00 0.00 C ATOM 34 OE1 GLN A 3 16.781 -27.190 -34.543 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.735 -27.262 -33.669 1.00 0.00 N ATOM 0 H GLN A 3 18.438 -22.386 -35.261 1.00 0.00 H new ATOM 0 HA GLN A 3 15.807 -22.458 -33.933 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.502 -24.374 -35.373 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.888 -24.648 -34.336 1.00 0.00 H new ATOM 0 HG2 GLN A 3 16.429 -25.205 -32.437 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.000 -24.770 -33.354 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.997 -26.782 -33.154 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.594 -28.221 -33.985 1.00 0.00 H new ATOM 44 N GLY A 4 16.819 -21.613 -31.783 1.00 0.00 N ATOM 45 CA GLY A 4 17.006 -21.460 -30.330 1.00 0.00 C ATOM 46 C GLY A 4 15.824 -22.045 -29.555 1.00 0.00 C ATOM 47 O GLY A 4 15.159 -22.972 -30.043 1.00 0.00 O ATOM 0 H GLY A 4 16.215 -20.903 -32.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.926 -21.958 -30.025 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.118 -20.404 -30.084 1.00 0.00 H new ATOM 51 N GLN A 5 15.562 -21.542 -28.337 1.00 0.00 N ATOM 52 CA GLN A 5 14.371 -21.943 -27.557 1.00 0.00 C ATOM 53 C GLN A 5 13.231 -20.935 -27.783 1.00 0.00 C ATOM 54 O GLN A 5 13.347 -19.750 -27.456 1.00 0.00 O ATOM 55 CB GLN A 5 14.701 -22.063 -26.057 1.00 0.00 C ATOM 56 CG GLN A 5 15.707 -23.172 -25.722 1.00 0.00 C ATOM 57 CD GLN A 5 16.079 -23.210 -24.235 1.00 0.00 C ATOM 58 OE1 GLN A 5 15.461 -23.910 -23.440 1.00 0.00 O ATOM 59 NE2 GLN A 5 17.069 -22.437 -23.841 1.00 0.00 N ATOM 0 H GLN A 5 16.156 -20.858 -27.869 1.00 0.00 H new ATOM 0 HA GLN A 5 14.049 -22.925 -27.904 1.00 0.00 H new ATOM 0 HB2 GLN A 5 15.097 -21.110 -25.706 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.778 -22.246 -25.507 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.288 -24.136 -26.011 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.611 -23.027 -26.314 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.569 -21.863 -24.520 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.336 -22.412 -22.857 1.00 0.00 H new ATOM 68 N ASN A 6 12.140 -21.442 -28.351 1.00 0.00 N ATOM 69 CA ASN A 6 10.933 -20.654 -28.688 1.00 0.00 C ATOM 70 C ASN A 6 9.650 -21.417 -28.271 1.00 0.00 C ATOM 71 O ASN A 6 9.194 -22.331 -28.964 1.00 0.00 O ATOM 72 CB ASN A 6 10.918 -20.267 -30.208 1.00 0.00 C ATOM 73 CG ASN A 6 11.147 -21.441 -31.188 1.00 0.00 C ATOM 74 OD1 ASN A 6 11.875 -22.384 -30.905 1.00 0.00 O ATOM 75 ND2 ASN A 6 10.525 -21.386 -32.353 1.00 0.00 N ATOM 0 H ASN A 6 12.057 -22.428 -28.599 1.00 0.00 H new ATOM 0 HA ASN A 6 10.959 -19.723 -28.122 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.959 -19.803 -30.439 1.00 0.00 H new ATOM 0 HB3 ASN A 6 11.686 -19.514 -30.382 1.00 0.00 H new ATOM 0 HD21 ASN A 6 10.648 -22.137 -33.033 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.922 -20.593 -32.572 1.00 0.00 H new ATOM 82 N VAL A 7 9.104 -21.031 -27.080 1.00 0.00 N ATOM 83 CA VAL A 7 7.870 -21.590 -26.464 1.00 0.00 C ATOM 84 C VAL A 7 7.955 -23.138 -26.138 1.00 0.00 C ATOM 85 O VAL A 7 7.032 -23.714 -25.545 1.00 0.00 O ATOM 86 CB VAL A 7 6.576 -21.232 -27.318 1.00 0.00 C ATOM 87 CG1 VAL A 7 5.293 -21.387 -26.472 1.00 0.00 C ATOM 88 CG2 VAL A 7 6.649 -19.794 -27.918 1.00 0.00 C ATOM 0 H VAL A 7 9.526 -20.300 -26.508 1.00 0.00 H new ATOM 0 HA VAL A 7 7.779 -21.100 -25.495 1.00 0.00 H new ATOM 0 HB VAL A 7 6.541 -21.939 -28.147 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.424 -21.136 -27.080 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.208 -22.417 -26.125 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.340 -20.718 -25.613 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.745 -19.593 -28.493 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.735 -19.067 -27.111 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.519 -19.716 -28.571 1.00 0.00 H new ATOM 98 N LEU A 8 9.099 -23.782 -26.453 1.00 0.00 N ATOM 99 CA LEU A 8 9.293 -25.255 -26.308 1.00 0.00 C ATOM 100 C LEU A 8 9.827 -25.656 -24.907 1.00 0.00 C ATOM 101 O LEU A 8 10.112 -26.833 -24.656 1.00 0.00 O ATOM 102 CB LEU A 8 10.209 -25.768 -27.473 1.00 0.00 C ATOM 103 CG LEU A 8 11.564 -25.000 -27.717 1.00 0.00 C ATOM 104 CD1 LEU A 8 12.654 -25.373 -26.695 1.00 0.00 C ATOM 105 CD2 LEU A 8 12.077 -25.182 -29.166 1.00 0.00 C ATOM 0 H LEU A 8 9.921 -23.300 -26.817 1.00 0.00 H new ATOM 0 HA LEU A 8 8.322 -25.743 -26.384 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.444 -26.815 -27.282 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.631 -25.735 -28.397 1.00 0.00 H new ATOM 0 HG LEU A 8 11.340 -23.943 -27.570 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.564 -24.814 -26.913 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.310 -25.129 -25.690 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.861 -26.441 -26.758 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.012 -24.637 -29.292 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.245 -26.241 -29.362 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.335 -24.796 -29.866 1.00 0.00 H new ATOM 117 N GLY A 9 9.937 -24.666 -24.004 1.00 0.00 N ATOM 118 CA GLY A 9 10.418 -24.886 -22.640 1.00 0.00 C ATOM 119 C GLY A 9 10.493 -23.578 -21.846 1.00 0.00 C ATOM 120 O GLY A 9 9.457 -22.970 -21.543 1.00 0.00 O ATOM 0 H GLY A 9 9.694 -23.696 -24.204 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.755 -25.584 -22.129 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.404 -25.349 -22.672 1.00 0.00 H new ATOM 124 N GLN A 10 11.724 -23.125 -21.552 1.00 0.00 N ATOM 125 CA GLN A 10 11.983 -21.892 -20.772 1.00 0.00 C ATOM 126 C GLN A 10 13.218 -21.144 -21.342 1.00 0.00 C ATOM 127 O GLN A 10 14.310 -21.718 -21.447 1.00 0.00 O ATOM 128 CB GLN A 10 12.168 -22.243 -19.262 1.00 0.00 C ATOM 129 CG GLN A 10 13.302 -23.245 -18.956 1.00 0.00 C ATOM 130 CD GLN A 10 13.392 -23.631 -17.474 1.00 0.00 C ATOM 131 OE1 GLN A 10 14.075 -22.982 -16.691 1.00 0.00 O ATOM 132 NE2 GLN A 10 12.708 -24.691 -17.083 1.00 0.00 N ATOM 0 H GLN A 10 12.575 -23.603 -21.848 1.00 0.00 H new ATOM 0 HA GLN A 10 11.125 -21.225 -20.857 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.360 -21.322 -18.712 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.231 -22.651 -18.883 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.150 -24.146 -19.550 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.252 -22.813 -19.270 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.147 -25.213 -17.756 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.740 -24.988 -16.108 1.00 0.00 H new ATOM 141 N ASP A 11 13.016 -19.863 -21.719 1.00 0.00 N ATOM 142 CA ASP A 11 14.073 -18.991 -22.298 1.00 0.00 C ATOM 143 C ASP A 11 13.527 -17.565 -22.519 1.00 0.00 C ATOM 144 O ASP A 11 12.408 -17.407 -23.017 1.00 0.00 O ATOM 145 CB ASP A 11 14.586 -19.557 -23.648 1.00 0.00 C ATOM 146 CG ASP A 11 15.847 -18.847 -24.174 1.00 0.00 C ATOM 147 OD1 ASP A 11 16.959 -19.186 -23.713 1.00 0.00 O ATOM 148 OD2 ASP A 11 15.728 -17.951 -25.038 1.00 0.00 O ATOM 0 H ASP A 11 12.112 -19.398 -21.632 1.00 0.00 H new ATOM 0 HA ASP A 11 14.903 -18.961 -21.592 1.00 0.00 H new ATOM 0 HB2 ASP A 11 14.800 -20.619 -23.529 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.794 -19.472 -24.392 1.00 0.00 H new ATOM 153 N LEU A 12 14.351 -16.552 -22.166 1.00 0.00 N ATOM 154 CA LEU A 12 14.023 -15.109 -22.303 1.00 0.00 C ATOM 155 C LEU A 12 12.808 -14.733 -21.386 1.00 0.00 C ATOM 156 O LEU A 12 13.013 -14.283 -20.253 1.00 0.00 O ATOM 157 CB LEU A 12 13.813 -14.715 -23.820 1.00 0.00 C ATOM 158 CG LEU A 12 14.244 -13.272 -24.273 1.00 0.00 C ATOM 159 CD1 LEU A 12 13.378 -12.171 -23.648 1.00 0.00 C ATOM 160 CD2 LEU A 12 15.743 -13.025 -23.994 1.00 0.00 C ATOM 0 H LEU A 12 15.278 -16.714 -21.772 1.00 0.00 H new ATOM 0 HA LEU A 12 14.869 -14.516 -21.955 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.359 -15.434 -24.431 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.755 -14.837 -24.054 1.00 0.00 H new ATOM 0 HG LEU A 12 14.082 -13.223 -25.350 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.721 -11.197 -23.996 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.338 -12.316 -23.941 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.459 -12.217 -22.562 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.012 -12.020 -24.317 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.936 -13.127 -22.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.340 -13.754 -24.541 1.00 0.00 H new ATOM 172 N GLU A 13 11.560 -14.982 -21.878 1.00 0.00 N ATOM 173 CA GLU A 13 10.279 -14.766 -21.133 1.00 0.00 C ATOM 174 C GLU A 13 10.151 -13.332 -20.529 1.00 0.00 C ATOM 175 O GLU A 13 10.597 -13.064 -19.409 1.00 0.00 O ATOM 176 CB GLU A 13 10.067 -15.882 -20.065 1.00 0.00 C ATOM 177 CG GLU A 13 10.008 -17.309 -20.663 1.00 0.00 C ATOM 178 CD GLU A 13 9.791 -18.419 -19.620 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.785 -18.909 -19.036 1.00 0.00 O ATOM 180 OE2 GLU A 13 8.624 -18.812 -19.392 1.00 0.00 O ATOM 0 H GLU A 13 11.411 -15.345 -22.820 1.00 0.00 H new ATOM 0 HA GLU A 13 9.471 -14.840 -21.861 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.877 -15.835 -19.337 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.141 -15.685 -19.525 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.202 -17.351 -21.396 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.937 -17.505 -21.199 1.00 0.00 H new ATOM 187 N VAL A 14 9.486 -12.433 -21.278 1.00 0.00 N ATOM 188 CA VAL A 14 9.546 -10.970 -21.047 1.00 0.00 C ATOM 189 C VAL A 14 8.143 -10.301 -21.183 1.00 0.00 C ATOM 190 O VAL A 14 7.189 -10.921 -21.652 1.00 0.00 O ATOM 191 CB VAL A 14 10.569 -10.344 -22.078 1.00 0.00 C ATOM 192 CG1 VAL A 14 10.083 -10.506 -23.543 1.00 0.00 C ATOM 193 CG2 VAL A 14 10.915 -8.867 -21.761 1.00 0.00 C ATOM 0 H VAL A 14 8.890 -12.697 -22.063 1.00 0.00 H new ATOM 0 HA VAL A 14 9.880 -10.785 -20.026 1.00 0.00 H new ATOM 0 HB VAL A 14 11.493 -10.912 -21.968 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.814 -10.063 -24.220 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.970 -11.565 -23.774 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.123 -10.004 -23.666 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.621 -8.492 -22.502 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.006 -8.266 -21.789 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.362 -8.803 -20.769 1.00 0.00 H new ATOM 203 N CYS A 15 8.045 -9.023 -20.757 1.00 0.00 N ATOM 204 CA CYS A 15 6.849 -8.156 -20.946 1.00 0.00 C ATOM 205 C CYS A 15 6.632 -7.760 -22.436 1.00 0.00 C ATOM 206 O CYS A 15 5.573 -7.231 -22.789 1.00 0.00 O ATOM 207 CB CYS A 15 7.018 -6.877 -20.095 1.00 0.00 C ATOM 208 SG CYS A 15 5.588 -5.770 -20.092 1.00 0.00 S ATOM 0 H CYS A 15 8.804 -8.552 -20.264 1.00 0.00 H new ATOM 0 HA CYS A 15 5.973 -8.722 -20.629 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.236 -7.168 -19.067 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.885 -6.326 -20.461 1.00 0.00 H new ATOM 0 HG CYS A 15 4.947 -5.886 -21.217 1.00 0.00 H new ATOM 214 N CYS A 16 7.681 -7.996 -23.265 1.00 0.00 N ATOM 215 CA CYS A 16 7.716 -7.761 -24.738 1.00 0.00 C ATOM 216 C CYS A 16 8.037 -6.290 -25.082 1.00 0.00 C ATOM 217 O CYS A 16 7.430 -5.358 -24.549 1.00 0.00 O ATOM 218 CB CYS A 16 6.442 -8.234 -25.484 1.00 0.00 C ATOM 219 SG CYS A 16 6.526 -8.042 -27.285 1.00 0.00 S ATOM 0 H CYS A 16 8.563 -8.370 -22.915 1.00 0.00 H new ATOM 0 HA CYS A 16 8.531 -8.387 -25.100 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.265 -9.283 -25.249 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.585 -7.674 -25.109 1.00 0.00 H new ATOM 0 HG CYS A 16 5.419 -8.466 -27.819 1.00 0.00 H new ATOM 225 N CYS A 17 9.002 -6.118 -26.002 1.00 0.00 N ATOM 226 CA CYS A 17 9.554 -4.801 -26.415 1.00 0.00 C ATOM 227 C CYS A 17 10.483 -4.995 -27.631 1.00 0.00 C ATOM 228 O CYS A 17 10.386 -4.291 -28.639 1.00 0.00 O ATOM 229 CB CYS A 17 10.333 -4.134 -25.253 1.00 0.00 C ATOM 230 SG CYS A 17 11.160 -2.584 -25.684 1.00 0.00 S ATOM 0 H CYS A 17 9.433 -6.901 -26.493 1.00 0.00 H new ATOM 0 HA CYS A 17 8.726 -4.145 -26.685 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.641 -3.944 -24.432 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.080 -4.837 -24.884 1.00 0.00 H new ATOM 0 HG CYS A 17 11.776 -2.116 -24.639 1.00 0.00 H new ATOM 236 N ALA A 18 11.379 -5.987 -27.505 1.00 0.00 N ATOM 237 CA ALA A 18 12.323 -6.406 -28.567 1.00 0.00 C ATOM 238 C ALA A 18 12.737 -7.889 -28.336 1.00 0.00 C ATOM 239 O ALA A 18 12.535 -8.401 -27.230 1.00 0.00 O ATOM 240 CB ALA A 18 13.556 -5.474 -28.573 1.00 0.00 C ATOM 0 H ALA A 18 11.474 -6.533 -26.649 1.00 0.00 H new ATOM 0 HA ALA A 18 11.841 -6.331 -29.542 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.246 -5.788 -29.356 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.236 -4.449 -28.761 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.057 -5.527 -27.606 1.00 0.00 H new ATOM 246 N PRO A 19 13.270 -8.618 -29.376 1.00 0.00 N ATOM 247 CA PRO A 19 13.844 -9.995 -29.207 1.00 0.00 C ATOM 248 C PRO A 19 14.770 -10.174 -27.964 1.00 0.00 C ATOM 249 O PRO A 19 14.593 -11.118 -27.187 1.00 0.00 O ATOM 250 CB PRO A 19 14.623 -10.190 -30.525 1.00 0.00 C ATOM 251 CG PRO A 19 13.802 -9.450 -31.538 1.00 0.00 C ATOM 252 CD PRO A 19 13.275 -8.219 -30.816 1.00 0.00 C ATOM 0 HA PRO A 19 13.063 -10.732 -29.022 1.00 0.00 H new ATOM 0 HB2 PRO A 19 15.633 -9.786 -30.456 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.718 -11.245 -30.781 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.405 -9.170 -32.402 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.984 -10.068 -31.907 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.913 -7.352 -30.988 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.276 -7.952 -31.160 1.00 0.00 H new ATOM 260 N MET A 20 15.756 -9.265 -27.789 1.00 0.00 N ATOM 261 CA MET A 20 16.618 -9.241 -26.570 1.00 0.00 C ATOM 262 C MET A 20 15.974 -8.374 -25.447 1.00 0.00 C ATOM 263 O MET A 20 16.215 -8.603 -24.258 1.00 0.00 O ATOM 264 CB MET A 20 18.050 -8.717 -26.906 1.00 0.00 C ATOM 265 CG MET A 20 18.134 -7.225 -27.284 1.00 0.00 C ATOM 266 SD MET A 20 19.825 -6.658 -27.612 1.00 0.00 S ATOM 267 CE MET A 20 20.278 -7.621 -29.059 1.00 0.00 C ATOM 0 H MET A 20 15.979 -8.539 -28.469 1.00 0.00 H new ATOM 0 HA MET A 20 16.704 -10.265 -26.207 1.00 0.00 H new ATOM 0 HB2 MET A 20 18.695 -8.894 -26.045 1.00 0.00 H new ATOM 0 HB3 MET A 20 18.451 -9.307 -27.730 1.00 0.00 H new ATOM 0 HG2 MET A 20 17.521 -7.047 -28.168 1.00 0.00 H new ATOM 0 HG3 MET A 20 17.709 -6.629 -26.476 1.00 0.00 H new ATOM 0 HE1 MET A 20 21.188 -7.212 -29.498 1.00 0.00 H new ATOM 0 HE2 MET A 20 20.450 -8.657 -28.767 1.00 0.00 H new ATOM 0 HE3 MET A 20 19.471 -7.580 -29.791 1.00 0.00 H new ATOM 277 N THR A 21 15.153 -7.379 -25.865 1.00 0.00 N ATOM 278 CA THR A 21 14.526 -6.350 -24.987 1.00 0.00 C ATOM 279 C THR A 21 15.584 -5.410 -24.334 1.00 0.00 C ATOM 280 O THR A 21 15.746 -4.265 -24.776 1.00 0.00 O ATOM 281 CB THR A 21 13.553 -6.959 -23.909 1.00 0.00 C ATOM 282 OG1 THR A 21 12.523 -7.721 -24.558 1.00 0.00 O ATOM 283 CG2 THR A 21 12.886 -5.873 -23.040 1.00 0.00 C ATOM 0 H THR A 21 14.900 -7.264 -26.846 1.00 0.00 H new ATOM 0 HA THR A 21 13.908 -5.742 -25.648 1.00 0.00 H new ATOM 0 HB THR A 21 14.156 -7.594 -23.259 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.739 -7.820 -25.509 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.225 -6.344 -22.313 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.654 -5.303 -22.517 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.307 -5.203 -23.676 1.00 0.00 H new ATOM 291 N GLY A 22 16.310 -5.897 -23.307 1.00 0.00 N ATOM 292 CA GLY A 22 17.312 -5.083 -22.596 1.00 0.00 C ATOM 293 C GLY A 22 18.160 -5.912 -21.630 1.00 0.00 C ATOM 294 O GLY A 22 17.618 -6.747 -20.910 1.00 0.00 O ATOM 0 H GLY A 22 16.220 -6.849 -22.953 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.964 -4.598 -23.323 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.806 -4.291 -22.043 1.00 0.00 H new ATOM 298 N TRP A 23 19.492 -5.667 -21.604 1.00 0.00 N ATOM 299 CA TRP A 23 20.449 -6.425 -20.739 1.00 0.00 C ATOM 300 C TRP A 23 20.156 -6.268 -19.223 1.00 0.00 C ATOM 301 O TRP A 23 20.522 -7.136 -18.418 1.00 0.00 O ATOM 302 CB TRP A 23 21.912 -6.008 -21.048 1.00 0.00 C ATOM 303 CG TRP A 23 22.328 -6.242 -22.489 1.00 0.00 C ATOM 304 CD1 TRP A 23 22.730 -5.298 -23.396 1.00 0.00 C ATOM 305 CD2 TRP A 23 22.364 -7.502 -23.190 1.00 0.00 C ATOM 306 NE1 TRP A 23 23.024 -5.890 -24.597 1.00 0.00 N ATOM 307 CE2 TRP A 23 22.803 -7.237 -24.501 1.00 0.00 C ATOM 308 CE3 TRP A 23 22.073 -8.830 -22.836 1.00 0.00 C ATOM 309 CZ2 TRP A 23 22.956 -8.242 -25.457 1.00 0.00 C ATOM 310 CZ3 TRP A 23 22.224 -9.826 -23.786 1.00 0.00 C ATOM 311 CH2 TRP A 23 22.663 -9.527 -25.084 1.00 0.00 C ATOM 0 H TRP A 23 19.937 -4.947 -22.173 1.00 0.00 H new ATOM 0 HA TRP A 23 20.312 -7.479 -20.979 1.00 0.00 H new ATOM 0 HB2 TRP A 23 22.036 -4.951 -20.812 1.00 0.00 H new ATOM 0 HB3 TRP A 23 22.583 -6.562 -20.392 1.00 0.00 H new ATOM 0 HD1 TRP A 23 22.805 -4.240 -23.194 1.00 0.00 H new ATOM 0 HE1 TRP A 23 23.355 -5.404 -25.430 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.737 -9.070 -21.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 23.294 -8.014 -26.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 22.000 -10.849 -23.523 1.00 0.00 H new ATOM 0 HH2 TRP A 23 22.772 -10.325 -25.803 1.00 0.00 H new ATOM 322 N TYR A 24 19.516 -5.144 -18.847 1.00 0.00 N ATOM 323 CA TYR A 24 19.001 -4.923 -17.478 1.00 0.00 C ATOM 324 C TYR A 24 17.698 -5.738 -17.272 1.00 0.00 C ATOM 325 O TYR A 24 16.592 -5.210 -17.418 1.00 0.00 O ATOM 326 CB TYR A 24 18.781 -3.403 -17.227 1.00 0.00 C ATOM 327 CG TYR A 24 20.074 -2.576 -17.323 1.00 0.00 C ATOM 328 CD1 TYR A 24 20.894 -2.385 -16.204 1.00 0.00 C ATOM 329 CD2 TYR A 24 20.484 -2.001 -18.535 1.00 0.00 C ATOM 330 CE1 TYR A 24 22.068 -1.663 -16.294 1.00 0.00 C ATOM 331 CE2 TYR A 24 21.657 -1.277 -18.624 1.00 0.00 C ATOM 332 CZ TYR A 24 22.442 -1.107 -17.500 1.00 0.00 C ATOM 333 OH TYR A 24 23.617 -0.388 -17.585 1.00 0.00 O ATOM 0 H TYR A 24 19.341 -4.364 -19.481 1.00 0.00 H new ATOM 0 HA TYR A 24 19.733 -5.271 -16.749 1.00 0.00 H new ATOM 0 HB2 TYR A 24 18.061 -3.023 -17.951 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.342 -3.265 -16.239 1.00 0.00 H new ATOM 0 HD1 TYR A 24 20.603 -2.810 -15.254 1.00 0.00 H new ATOM 0 HD2 TYR A 24 19.871 -2.127 -19.415 1.00 0.00 H new ATOM 0 HE1 TYR A 24 22.692 -1.534 -15.422 1.00 0.00 H new ATOM 0 HE2 TYR A 24 21.959 -0.846 -19.567 1.00 0.00 H new ATOM 0 HH TYR A 24 23.737 -0.064 -18.502 1.00 0.00 H new ATOM 343 N ARG A 25 17.876 -7.052 -16.974 1.00 0.00 N ATOM 344 CA ARG A 25 16.789 -8.058 -16.905 1.00 0.00 C ATOM 345 C ARG A 25 16.080 -8.244 -18.271 1.00 0.00 C ATOM 346 O ARG A 25 15.070 -7.601 -18.550 1.00 0.00 O ATOM 347 CB ARG A 25 15.776 -7.752 -15.745 1.00 0.00 C ATOM 348 CG ARG A 25 16.285 -8.113 -14.321 1.00 0.00 C ATOM 349 CD ARG A 25 16.108 -9.613 -13.961 1.00 0.00 C ATOM 350 NE ARG A 25 16.709 -10.535 -14.954 1.00 0.00 N ATOM 351 CZ ARG A 25 16.066 -11.481 -15.618 1.00 0.00 C ATOM 352 NH1 ARG A 25 14.797 -11.714 -15.442 1.00 0.00 N ATOM 353 NH2 ARG A 25 16.708 -12.191 -16.476 1.00 0.00 N ATOM 0 H ARG A 25 18.795 -7.446 -16.772 1.00 0.00 H new ATOM 0 HA ARG A 25 17.257 -9.013 -16.666 1.00 0.00 H new ATOM 0 HB2 ARG A 25 15.529 -6.691 -15.769 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.852 -8.299 -15.935 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.340 -7.851 -14.244 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.752 -7.507 -13.589 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.557 -9.800 -12.986 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.044 -9.833 -13.870 1.00 0.00 H new ATOM 0 HE ARG A 25 17.706 -10.431 -15.142 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.264 -11.158 -14.773 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.336 -12.453 -15.973 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.701 -12.021 -16.638 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.225 -12.924 -16.995 1.00 0.00 H new ATOM 367 N ASN A 26 16.650 -9.130 -19.122 1.00 0.00 N ATOM 368 CA ASN A 26 16.075 -9.498 -20.445 1.00 0.00 C ATOM 369 C ASN A 26 14.662 -10.097 -20.292 1.00 0.00 C ATOM 370 O ASN A 26 13.834 -9.994 -21.193 1.00 0.00 O ATOM 371 CB ASN A 26 17.010 -10.496 -21.181 1.00 0.00 C ATOM 372 CG ASN A 26 18.398 -9.911 -21.468 1.00 0.00 C ATOM 373 OD1 ASN A 26 19.307 -9.996 -20.650 1.00 0.00 O ATOM 374 ND2 ASN A 26 18.581 -9.325 -22.639 1.00 0.00 N ATOM 0 H ASN A 26 17.524 -9.613 -18.913 1.00 0.00 H new ATOM 0 HA ASN A 26 15.991 -8.589 -21.041 1.00 0.00 H new ATOM 0 HB2 ASN A 26 17.119 -11.397 -20.578 1.00 0.00 H new ATOM 0 HB3 ASN A 26 16.546 -10.796 -22.121 1.00 0.00 H new ATOM 0 HD21 ASN A 26 19.492 -8.933 -22.876 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.811 -9.265 -23.305 1.00 0.00 H new ATOM 381 N GLY A 27 14.417 -10.722 -19.127 1.00 0.00 N ATOM 382 CA GLY A 27 13.086 -11.172 -18.730 1.00 0.00 C ATOM 383 C GLY A 27 12.368 -10.164 -17.817 1.00 0.00 C ATOM 384 O GLY A 27 12.124 -10.448 -16.635 1.00 0.00 O ATOM 0 H GLY A 27 15.142 -10.926 -18.439 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.483 -11.342 -19.622 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.169 -12.129 -18.214 1.00 0.00 H new ATOM 388 N PHE A 28 12.094 -8.954 -18.356 1.00 0.00 N ATOM 389 CA PHE A 28 11.196 -7.950 -17.718 1.00 0.00 C ATOM 390 C PHE A 28 9.814 -8.562 -17.354 1.00 0.00 C ATOM 391 O PHE A 28 9.005 -8.841 -18.230 1.00 0.00 O ATOM 392 CB PHE A 28 10.993 -6.713 -18.656 1.00 0.00 C ATOM 393 CG PHE A 28 12.081 -5.640 -18.568 1.00 0.00 C ATOM 394 CD1 PHE A 28 12.102 -4.741 -17.505 1.00 0.00 C ATOM 395 CD2 PHE A 28 13.058 -5.510 -19.554 1.00 0.00 C ATOM 396 CE1 PHE A 28 13.065 -3.751 -17.425 1.00 0.00 C ATOM 397 CE2 PHE A 28 14.024 -4.522 -19.476 1.00 0.00 C ATOM 398 CZ PHE A 28 14.024 -3.642 -18.411 1.00 0.00 C ATOM 0 H PHE A 28 12.486 -8.641 -19.244 1.00 0.00 H new ATOM 0 HA PHE A 28 11.680 -7.628 -16.796 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.935 -7.065 -19.686 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.033 -6.254 -18.421 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.354 -4.818 -16.730 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.061 -6.191 -20.392 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.066 -3.064 -16.592 1.00 0.00 H new ATOM 0 HE2 PHE A 28 14.776 -4.439 -20.246 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.775 -2.868 -18.350 1.00 0.00 H new ATOM 408 N CYS A 29 9.560 -8.778 -16.050 1.00 0.00 N ATOM 409 CA CYS A 29 8.256 -9.300 -15.553 1.00 0.00 C ATOM 410 C CYS A 29 7.272 -8.130 -15.265 1.00 0.00 C ATOM 411 O CYS A 29 6.811 -7.940 -14.129 1.00 0.00 O ATOM 412 CB CYS A 29 8.489 -10.175 -14.295 1.00 0.00 C ATOM 413 SG CYS A 29 6.985 -10.934 -13.628 1.00 0.00 S ATOM 0 H CYS A 29 10.240 -8.600 -15.311 1.00 0.00 H new ATOM 0 HA CYS A 29 7.800 -9.924 -16.322 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.201 -10.962 -14.541 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.947 -9.561 -13.519 1.00 0.00 H new ATOM 0 HG CYS A 29 6.049 -10.036 -13.537 1.00 0.00 H new ATOM 419 N GLN A 30 7.001 -7.327 -16.328 1.00 0.00 N ATOM 420 CA GLN A 30 6.191 -6.071 -16.272 1.00 0.00 C ATOM 421 C GLN A 30 6.749 -5.026 -15.261 1.00 0.00 C ATOM 422 O GLN A 30 6.061 -4.068 -14.900 1.00 0.00 O ATOM 423 CB GLN A 30 4.682 -6.371 -15.990 1.00 0.00 C ATOM 424 CG GLN A 30 3.972 -7.175 -17.102 1.00 0.00 C ATOM 425 CD GLN A 30 2.453 -7.279 -16.923 1.00 0.00 C ATOM 426 OE1 GLN A 30 1.817 -6.405 -16.338 1.00 0.00 O ATOM 427 NE2 GLN A 30 1.856 -8.328 -17.455 1.00 0.00 N ATOM 0 H GLN A 30 7.343 -7.534 -17.266 1.00 0.00 H new ATOM 0 HA GLN A 30 6.272 -5.621 -17.261 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.603 -6.922 -15.053 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.156 -5.426 -15.850 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.183 -6.709 -18.064 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.393 -8.180 -17.135 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.407 -9.039 -17.935 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.843 -8.428 -17.386 1.00 0.00 H new ATOM 436 N THR A 31 8.021 -5.191 -14.852 1.00 0.00 N ATOM 437 CA THR A 31 8.651 -4.356 -13.809 1.00 0.00 C ATOM 438 C THR A 31 9.713 -3.418 -14.414 1.00 0.00 C ATOM 439 O THR A 31 10.839 -3.842 -14.693 1.00 0.00 O ATOM 440 CB THR A 31 9.313 -5.240 -12.689 1.00 0.00 C ATOM 441 OG1 THR A 31 8.342 -6.134 -12.118 1.00 0.00 O ATOM 442 CG2 THR A 31 9.932 -4.386 -11.561 1.00 0.00 C ATOM 0 H THR A 31 8.641 -5.905 -15.234 1.00 0.00 H new ATOM 0 HA THR A 31 7.859 -3.756 -13.361 1.00 0.00 H new ATOM 0 HB THR A 31 10.112 -5.807 -13.166 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.963 -6.699 -12.823 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.377 -5.041 -10.811 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.701 -3.736 -11.977 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.155 -3.778 -11.097 1.00 0.00 H new ATOM 450 N ASP A 32 9.329 -2.156 -14.664 1.00 0.00 N ATOM 451 CA ASP A 32 10.294 -1.071 -14.934 1.00 0.00 C ATOM 452 C ASP A 32 10.729 -0.448 -13.577 1.00 0.00 C ATOM 453 O ASP A 32 9.891 -0.234 -12.691 1.00 0.00 O ATOM 454 CB ASP A 32 9.669 0.003 -15.871 1.00 0.00 C ATOM 455 CG ASP A 32 10.721 0.906 -16.557 1.00 0.00 C ATOM 456 OD1 ASP A 32 11.518 1.565 -15.851 1.00 0.00 O ATOM 457 OD2 ASP A 32 10.774 0.946 -17.806 1.00 0.00 O ATOM 0 H ASP A 32 8.354 -1.858 -14.685 1.00 0.00 H new ATOM 0 HA ASP A 32 11.169 -1.473 -15.445 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.074 -0.495 -16.636 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.987 0.627 -15.293 1.00 0.00 H new ATOM 462 N VAL A 33 12.031 -0.150 -13.437 1.00 0.00 N ATOM 463 CA VAL A 33 12.627 0.327 -12.165 1.00 0.00 C ATOM 464 C VAL A 33 12.152 1.764 -11.778 1.00 0.00 C ATOM 465 O VAL A 33 12.011 2.080 -10.587 1.00 0.00 O ATOM 466 CB VAL A 33 14.203 0.249 -12.239 1.00 0.00 C ATOM 467 CG1 VAL A 33 14.774 1.160 -13.358 1.00 0.00 C ATOM 468 CG2 VAL A 33 14.868 0.550 -10.869 1.00 0.00 C ATOM 0 H VAL A 33 12.705 -0.231 -14.198 1.00 0.00 H new ATOM 0 HA VAL A 33 12.275 -0.335 -11.374 1.00 0.00 H new ATOM 0 HB VAL A 33 14.453 -0.780 -12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.861 1.077 -13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.371 0.849 -14.322 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.492 2.195 -13.164 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.952 0.485 -10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.593 1.553 -10.544 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.527 -0.177 -10.132 1.00 0.00 H new ATOM 478 N GLN A 34 11.863 2.609 -12.791 1.00 0.00 N ATOM 479 CA GLN A 34 11.500 4.037 -12.579 1.00 0.00 C ATOM 480 C GLN A 34 10.374 4.489 -13.547 1.00 0.00 C ATOM 481 O GLN A 34 9.453 5.212 -13.140 1.00 0.00 O ATOM 482 CB GLN A 34 12.759 4.931 -12.761 1.00 0.00 C ATOM 483 CG GLN A 34 12.537 6.430 -12.455 1.00 0.00 C ATOM 484 CD GLN A 34 13.795 7.281 -12.654 1.00 0.00 C ATOM 485 OE1 GLN A 34 14.034 7.823 -13.727 1.00 0.00 O ATOM 486 NE2 GLN A 34 14.618 7.386 -11.629 1.00 0.00 N ATOM 0 H GLN A 34 11.873 2.329 -13.772 1.00 0.00 H new ATOM 0 HA GLN A 34 11.122 4.144 -11.562 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.551 4.555 -12.113 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.113 4.832 -13.787 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.743 6.811 -13.097 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.193 6.537 -11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.395 6.925 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.477 7.928 -11.718 1.00 0.00 H new ATOM 495 N ASP A 35 10.501 4.079 -14.831 1.00 0.00 N ATOM 496 CA ASP A 35 9.542 4.385 -15.932 1.00 0.00 C ATOM 497 C ASP A 35 9.581 5.887 -16.355 1.00 0.00 C ATOM 498 O ASP A 35 10.109 6.734 -15.627 1.00 0.00 O ATOM 499 CB ASP A 35 8.108 3.906 -15.563 1.00 0.00 C ATOM 500 CG ASP A 35 7.120 3.945 -16.738 1.00 0.00 C ATOM 501 OD1 ASP A 35 7.143 3.016 -17.573 1.00 0.00 O ATOM 502 OD2 ASP A 35 6.331 4.913 -16.847 1.00 0.00 O ATOM 0 H ASP A 35 11.290 3.513 -15.143 1.00 0.00 H new ATOM 0 HA ASP A 35 9.859 3.824 -16.811 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.163 2.887 -15.180 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.723 4.529 -14.756 1.00 0.00 H new ATOM 507 N ARG A 36 9.054 6.197 -17.560 1.00 0.00 N ATOM 508 CA ARG A 36 9.033 7.578 -18.101 1.00 0.00 C ATOM 509 C ARG A 36 7.945 8.439 -17.409 1.00 0.00 C ATOM 510 O ARG A 36 8.224 9.540 -16.919 1.00 0.00 O ATOM 511 CB ARG A 36 8.802 7.564 -19.641 1.00 0.00 C ATOM 512 CG ARG A 36 9.815 6.705 -20.440 1.00 0.00 C ATOM 513 CD ARG A 36 9.678 6.873 -21.971 1.00 0.00 C ATOM 514 NE ARG A 36 10.405 5.813 -22.706 1.00 0.00 N ATOM 515 CZ ARG A 36 11.189 5.979 -23.750 1.00 0.00 C ATOM 516 NH1 ARG A 36 11.464 7.155 -24.215 1.00 0.00 N ATOM 517 NH2 ARG A 36 11.717 4.939 -24.305 1.00 0.00 N ATOM 0 H ARG A 36 8.634 5.506 -18.182 1.00 0.00 H new ATOM 0 HA ARG A 36 10.005 8.025 -17.894 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.796 7.194 -19.840 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.844 8.589 -20.010 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.827 6.975 -20.140 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.675 5.655 -20.182 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.624 6.849 -22.247 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.063 7.849 -22.266 1.00 0.00 H new ATOM 0 HE ARG A 36 10.286 4.858 -22.369 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.070 7.984 -23.771 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.075 7.253 -25.026 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.524 4.009 -23.933 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.327 5.048 -25.115 1.00 0.00 H new ATOM 531 N GLY A 37 6.700 7.918 -17.378 1.00 0.00 N ATOM 532 CA GLY A 37 5.568 8.616 -16.743 1.00 0.00 C ATOM 533 C GLY A 37 5.530 8.414 -15.225 1.00 0.00 C ATOM 534 O GLY A 37 5.667 9.375 -14.454 1.00 0.00 O ATOM 0 H GLY A 37 6.456 7.016 -17.786 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.633 9.682 -16.963 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.635 8.258 -17.177 1.00 0.00 H new ATOM 538 N SER A 38 5.368 7.147 -14.801 1.00 0.00 N ATOM 539 CA SER A 38 5.292 6.774 -13.366 1.00 0.00 C ATOM 540 C SER A 38 5.651 5.287 -13.165 1.00 0.00 C ATOM 541 O SER A 38 5.192 4.426 -13.925 1.00 0.00 O ATOM 542 CB SER A 38 3.876 7.049 -12.792 1.00 0.00 C ATOM 543 OG SER A 38 3.804 6.741 -11.402 1.00 0.00 O ATOM 0 H SER A 38 5.286 6.353 -15.436 1.00 0.00 H new ATOM 0 HA SER A 38 6.014 7.390 -12.830 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.617 8.096 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.141 6.455 -13.335 1.00 0.00 H new ATOM 0 HG SER A 38 2.900 6.927 -11.072 1.00 0.00 H new ATOM 549 N HIS A 39 6.464 5.003 -12.127 1.00 0.00 N ATOM 550 CA HIS A 39 6.911 3.625 -11.775 1.00 0.00 C ATOM 551 C HIS A 39 5.721 2.659 -11.524 1.00 0.00 C ATOM 552 O HIS A 39 4.656 3.068 -11.042 1.00 0.00 O ATOM 553 CB HIS A 39 7.834 3.676 -10.533 1.00 0.00 C ATOM 554 CG HIS A 39 7.145 4.155 -9.281 1.00 0.00 C ATOM 555 ND1 HIS A 39 6.666 3.295 -8.317 1.00 0.00 N ATOM 556 CD2 HIS A 39 6.828 5.402 -8.853 1.00 0.00 C ATOM 557 CE1 HIS A 39 6.081 3.987 -7.361 1.00 0.00 C ATOM 558 NE2 HIS A 39 6.167 5.264 -7.660 1.00 0.00 N ATOM 0 H HIS A 39 6.834 5.720 -11.503 1.00 0.00 H new ATOM 0 HA HIS A 39 7.462 3.232 -12.629 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.242 2.681 -10.354 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.678 4.333 -10.746 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.054 6.330 -9.357 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.610 3.575 -6.481 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.801 6.030 -7.095 1.00 0.00 H new ATOM 567 N THR A 40 5.936 1.368 -11.817 1.00 0.00 N ATOM 568 CA THR A 40 4.864 0.343 -11.804 1.00 0.00 C ATOM 569 C THR A 40 4.817 -0.412 -10.456 1.00 0.00 C ATOM 570 O THR A 40 5.777 -1.075 -10.056 1.00 0.00 O ATOM 571 CB THR A 40 5.029 -0.668 -12.998 1.00 0.00 C ATOM 572 OG1 THR A 40 4.002 -1.680 -12.961 1.00 0.00 O ATOM 573 CG2 THR A 40 6.426 -1.323 -13.040 1.00 0.00 C ATOM 0 H THR A 40 6.853 0.999 -12.070 1.00 0.00 H new ATOM 0 HA THR A 40 3.916 0.866 -11.928 1.00 0.00 H new ATOM 0 HB THR A 40 4.923 -0.084 -13.912 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.123 -2.297 -13.713 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.480 -2.010 -13.884 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.187 -0.550 -13.151 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.599 -1.872 -12.114 1.00 0.00 H new ATOM 581 N VAL A 41 3.707 -0.233 -9.719 1.00 0.00 N ATOM 582 CA VAL A 41 3.423 -0.949 -8.452 1.00 0.00 C ATOM 583 C VAL A 41 1.922 -1.315 -8.414 1.00 0.00 C ATOM 584 O VAL A 41 1.075 -0.432 -8.301 1.00 0.00 O ATOM 585 CB VAL A 41 3.774 -0.084 -7.172 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.444 -0.851 -5.861 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.249 0.391 -7.178 1.00 0.00 C ATOM 0 H VAL A 41 2.970 0.420 -9.985 1.00 0.00 H new ATOM 0 HA VAL A 41 4.051 -1.840 -8.427 1.00 0.00 H new ATOM 0 HB VAL A 41 3.145 0.806 -7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.697 -0.229 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.381 -1.089 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.023 -1.774 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.445 0.980 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.910 -0.475 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.431 1.003 -8.062 1.00 0.00 H new ATOM 597 N CYS A 42 1.585 -2.604 -8.527 1.00 0.00 N ATOM 598 CA CYS A 42 0.187 -3.065 -8.411 1.00 0.00 C ATOM 599 C CYS A 42 -0.070 -3.536 -6.968 1.00 0.00 C ATOM 600 O CYS A 42 0.371 -4.613 -6.556 1.00 0.00 O ATOM 601 CB CYS A 42 -0.106 -4.186 -9.433 1.00 0.00 C ATOM 602 SG CYS A 42 0.071 -3.664 -11.150 1.00 0.00 S ATOM 0 H CYS A 42 2.258 -3.351 -8.699 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.489 -2.241 -8.637 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.568 -5.022 -9.245 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.121 -4.553 -9.276 1.00 0.00 H new ATOM 0 HG CYS A 42 1.332 -3.533 -11.436 1.00 0.00 H new ATOM 608 N ALA A 43 -0.801 -2.705 -6.222 1.00 0.00 N ATOM 609 CA ALA A 43 -1.150 -2.922 -4.806 1.00 0.00 C ATOM 610 C ALA A 43 -2.578 -2.399 -4.576 1.00 0.00 C ATOM 611 O ALA A 43 -3.010 -1.487 -5.289 1.00 0.00 O ATOM 612 CB ALA A 43 -0.131 -2.210 -3.894 1.00 0.00 C ATOM 0 H ALA A 43 -1.181 -1.834 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.116 -3.983 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.398 -2.377 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.866 -2.609 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.140 -1.141 -4.104 1.00 0.00 H new ATOM 618 N GLU A 44 -3.330 -2.961 -3.619 1.00 0.00 N ATOM 619 CA GLU A 44 -4.748 -2.578 -3.434 1.00 0.00 C ATOM 620 C GLU A 44 -5.046 -2.124 -1.993 1.00 0.00 C ATOM 621 O GLU A 44 -5.039 -2.931 -1.059 1.00 0.00 O ATOM 622 CB GLU A 44 -5.670 -3.751 -3.857 1.00 0.00 C ATOM 623 CG GLU A 44 -7.113 -3.325 -4.151 1.00 0.00 C ATOM 624 CD GLU A 44 -7.964 -4.444 -4.774 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.954 -4.585 -6.018 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.640 -5.183 -4.028 1.00 0.00 O ATOM 0 H GLU A 44 -2.993 -3.671 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.950 -1.720 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.253 -4.227 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.676 -4.501 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.583 -2.994 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.101 -2.469 -4.826 1.00 0.00 H new ATOM 633 N MET A 45 -5.273 -0.805 -1.827 1.00 0.00 N ATOM 634 CA MET A 45 -5.787 -0.225 -0.580 1.00 0.00 C ATOM 635 C MET A 45 -7.339 -0.255 -0.595 1.00 0.00 C ATOM 636 O MET A 45 -7.943 0.103 -1.607 1.00 0.00 O ATOM 637 CB MET A 45 -5.264 1.234 -0.406 1.00 0.00 C ATOM 638 CG MET A 45 -3.730 1.387 -0.461 1.00 0.00 C ATOM 639 SD MET A 45 -3.195 3.105 -0.280 1.00 0.00 S ATOM 640 CE MET A 45 -3.885 3.530 1.319 1.00 0.00 C ATOM 0 H MET A 45 -5.103 -0.115 -2.559 1.00 0.00 H new ATOM 0 HA MET A 45 -5.432 -0.814 0.265 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.704 1.857 -1.184 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.619 1.620 0.550 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.280 0.785 0.329 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.363 0.994 -1.409 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.374 4.408 1.714 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.948 3.747 1.211 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.754 2.694 2.006 1.00 0.00 H new ATOM 650 N THR A 46 -7.981 -0.667 0.524 1.00 0.00 N ATOM 651 CA THR A 46 -9.478 -0.737 0.622 1.00 0.00 C ATOM 652 C THR A 46 -10.050 0.580 1.177 1.00 0.00 C ATOM 653 O THR A 46 -9.359 1.300 1.909 1.00 0.00 O ATOM 654 CB THR A 46 -9.997 -1.955 1.483 1.00 0.00 C ATOM 655 OG1 THR A 46 -11.385 -1.789 1.839 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.168 -2.183 2.752 1.00 0.00 C ATOM 0 H THR A 46 -7.497 -0.957 1.374 1.00 0.00 H new ATOM 0 HA THR A 46 -9.837 -0.895 -0.395 1.00 0.00 H new ATOM 0 HB THR A 46 -9.886 -2.836 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.681 -2.558 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.572 -3.033 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.133 -2.387 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.209 -1.292 3.378 1.00 0.00 H new ATOM 664 N GLU A 47 -11.333 0.862 0.844 1.00 0.00 N ATOM 665 CA GLU A 47 -11.982 2.176 1.083 1.00 0.00 C ATOM 666 C GLU A 47 -11.932 2.611 2.552 1.00 0.00 C ATOM 667 O GLU A 47 -11.838 3.805 2.841 1.00 0.00 O ATOM 668 CB GLU A 47 -13.459 2.185 0.582 1.00 0.00 C ATOM 669 CG GLU A 47 -14.067 3.607 0.466 1.00 0.00 C ATOM 670 CD GLU A 47 -15.499 3.637 -0.109 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.419 3.074 0.523 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.715 4.235 -1.195 1.00 0.00 O ATOM 0 H GLU A 47 -11.950 0.182 0.400 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.404 2.897 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.506 1.698 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.069 1.593 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.074 4.069 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.421 4.216 -0.166 1.00 0.00 H new ATOM 679 N GLU A 48 -11.972 1.626 3.468 1.00 0.00 N ATOM 680 CA GLU A 48 -11.900 1.884 4.927 1.00 0.00 C ATOM 681 C GLU A 48 -10.654 2.734 5.269 1.00 0.00 C ATOM 682 O GLU A 48 -10.720 3.695 6.033 1.00 0.00 O ATOM 683 CB GLU A 48 -11.839 0.546 5.717 1.00 0.00 C ATOM 684 CG GLU A 48 -12.894 -0.506 5.316 1.00 0.00 C ATOM 685 CD GLU A 48 -14.333 0.031 5.362 1.00 0.00 C ATOM 686 OE1 GLU A 48 -14.854 0.262 6.475 1.00 0.00 O ATOM 687 OE2 GLU A 48 -14.946 0.229 4.290 1.00 0.00 O ATOM 0 H GLU A 48 -12.054 0.638 3.227 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.798 2.431 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.848 0.111 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.953 0.765 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.678 -0.862 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.812 -1.365 5.982 1.00 0.00 H new ATOM 694 N PHE A 49 -9.530 2.335 4.662 1.00 0.00 N ATOM 695 CA PHE A 49 -8.209 2.956 4.842 1.00 0.00 C ATOM 696 C PHE A 49 -8.019 4.271 4.043 1.00 0.00 C ATOM 697 O PHE A 49 -7.322 5.162 4.523 1.00 0.00 O ATOM 698 CB PHE A 49 -7.126 1.920 4.478 1.00 0.00 C ATOM 699 CG PHE A 49 -7.026 0.782 5.494 1.00 0.00 C ATOM 700 CD1 PHE A 49 -7.811 -0.358 5.368 1.00 0.00 C ATOM 701 CD2 PHE A 49 -6.167 0.866 6.582 1.00 0.00 C ATOM 702 CE1 PHE A 49 -7.734 -1.384 6.285 1.00 0.00 C ATOM 703 CE2 PHE A 49 -6.092 -0.160 7.505 1.00 0.00 C ATOM 704 CZ PHE A 49 -6.875 -1.284 7.356 1.00 0.00 C ATOM 0 H PHE A 49 -9.512 1.548 4.013 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.121 3.250 5.888 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.344 1.504 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.161 2.421 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.494 -0.441 4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.550 1.744 6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.347 -2.265 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.418 -0.081 8.345 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.815 -2.085 8.078 1.00 0.00 H new ATOM 714 N LEU A 50 -8.594 4.396 2.824 1.00 0.00 N ATOM 715 CA LEU A 50 -8.474 5.667 2.038 1.00 0.00 C ATOM 716 C LEU A 50 -9.259 6.814 2.726 1.00 0.00 C ATOM 717 O LEU A 50 -8.784 7.957 2.804 1.00 0.00 O ATOM 718 CB LEU A 50 -8.949 5.531 0.558 1.00 0.00 C ATOM 719 CG LEU A 50 -8.030 4.745 -0.431 1.00 0.00 C ATOM 720 CD1 LEU A 50 -8.190 3.239 -0.269 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.279 5.183 -1.897 1.00 0.00 C ATOM 0 H LEU A 50 -9.133 3.661 2.366 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.410 5.900 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.926 5.049 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.091 6.535 0.158 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.998 4.990 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.535 2.726 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.924 2.952 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.225 2.960 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.625 4.618 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.319 4.991 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.069 6.248 -1.999 1.00 0.00 H new ATOM 733 N LEU A 51 -10.467 6.480 3.212 1.00 0.00 N ATOM 734 CA LEU A 51 -11.323 7.408 3.979 1.00 0.00 C ATOM 735 C LEU A 51 -10.696 7.733 5.359 1.00 0.00 C ATOM 736 O LEU A 51 -10.787 8.869 5.830 1.00 0.00 O ATOM 737 CB LEU A 51 -12.746 6.800 4.148 1.00 0.00 C ATOM 738 CG LEU A 51 -13.551 6.533 2.837 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.955 5.974 3.156 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.634 7.796 1.956 1.00 0.00 C ATOM 0 H LEU A 51 -10.880 5.556 3.085 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.404 8.343 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.652 5.858 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.331 7.471 4.777 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.013 5.777 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.496 5.796 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.858 5.037 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.504 6.694 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.201 7.573 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.131 8.593 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.628 8.116 1.683 1.00 0.00 H new ATOM 752 N PHE A 52 -10.057 6.721 5.991 1.00 0.00 N ATOM 753 CA PHE A 52 -9.335 6.891 7.281 1.00 0.00 C ATOM 754 C PHE A 52 -8.105 7.811 7.122 1.00 0.00 C ATOM 755 O PHE A 52 -7.819 8.619 8.000 1.00 0.00 O ATOM 756 CB PHE A 52 -8.903 5.513 7.852 1.00 0.00 C ATOM 757 CG PHE A 52 -8.168 5.588 9.191 1.00 0.00 C ATOM 758 CD1 PHE A 52 -8.831 6.013 10.342 1.00 0.00 C ATOM 759 CD2 PHE A 52 -6.815 5.253 9.301 1.00 0.00 C ATOM 760 CE1 PHE A 52 -8.171 6.096 11.552 1.00 0.00 C ATOM 761 CE2 PHE A 52 -6.159 5.338 10.516 1.00 0.00 C ATOM 762 CZ PHE A 52 -6.837 5.759 11.638 1.00 0.00 C ATOM 0 H PHE A 52 -10.025 5.769 5.627 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.022 7.364 7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.789 4.889 7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.260 5.017 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.876 6.281 10.286 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.275 4.923 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.701 6.426 12.433 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.114 5.074 10.585 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.324 5.825 12.586 1.00 0.00 H new ATOM 772 N SER A 53 -7.392 7.662 5.994 1.00 0.00 N ATOM 773 CA SER A 53 -6.211 8.493 5.653 1.00 0.00 C ATOM 774 C SER A 53 -6.609 9.980 5.523 1.00 0.00 C ATOM 775 O SER A 53 -5.938 10.874 6.056 1.00 0.00 O ATOM 776 CB SER A 53 -5.585 7.985 4.334 1.00 0.00 C ATOM 777 OG SER A 53 -4.472 8.765 3.931 1.00 0.00 O ATOM 0 H SER A 53 -7.614 6.962 5.286 1.00 0.00 H new ATOM 0 HA SER A 53 -5.477 8.409 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.273 6.948 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.339 7.999 3.547 1.00 0.00 H new ATOM 0 HG SER A 53 -4.108 8.407 3.095 1.00 0.00 H new ATOM 783 N ARG A 54 -7.736 10.210 4.827 1.00 0.00 N ATOM 784 CA ARG A 54 -8.345 11.546 4.668 1.00 0.00 C ATOM 785 C ARG A 54 -8.756 12.148 6.046 1.00 0.00 C ATOM 786 O ARG A 54 -8.433 13.295 6.361 1.00 0.00 O ATOM 787 CB ARG A 54 -9.587 11.422 3.741 1.00 0.00 C ATOM 788 CG ARG A 54 -10.238 12.765 3.353 1.00 0.00 C ATOM 789 CD ARG A 54 -11.559 12.600 2.581 1.00 0.00 C ATOM 790 NE ARG A 54 -11.999 13.871 1.986 1.00 0.00 N ATOM 791 CZ ARG A 54 -13.190 14.130 1.509 1.00 0.00 C ATOM 792 NH1 ARG A 54 -14.156 13.269 1.585 1.00 0.00 N ATOM 793 NH2 ARG A 54 -13.410 15.281 0.964 1.00 0.00 N ATOM 0 H ARG A 54 -8.255 9.470 4.355 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.613 12.220 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.293 10.900 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.333 10.802 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.423 13.346 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.538 13.338 2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.432 11.854 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.330 12.226 3.254 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.310 14.622 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.998 12.363 2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.074 13.498 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.661 15.971 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.333 15.499 0.587 1.00 0.00 H new ATOM 807 N ASP A 55 -9.436 11.318 6.859 1.00 0.00 N ATOM 808 CA ASP A 55 -9.995 11.715 8.173 1.00 0.00 C ATOM 809 C ASP A 55 -8.886 11.928 9.247 1.00 0.00 C ATOM 810 O ASP A 55 -9.051 12.743 10.164 1.00 0.00 O ATOM 811 CB ASP A 55 -11.017 10.630 8.616 1.00 0.00 C ATOM 812 CG ASP A 55 -11.799 10.993 9.888 1.00 0.00 C ATOM 813 OD1 ASP A 55 -12.748 11.804 9.798 1.00 0.00 O ATOM 814 OD2 ASP A 55 -11.483 10.463 10.975 1.00 0.00 O ATOM 0 H ASP A 55 -9.617 10.342 6.623 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.496 12.678 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.723 10.457 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.487 9.692 8.782 1.00 0.00 H new ATOM 819 N ARG A 56 -7.750 11.219 9.090 1.00 0.00 N ATOM 820 CA ARG A 56 -6.630 11.234 10.064 1.00 0.00 C ATOM 821 C ARG A 56 -5.932 12.613 10.089 1.00 0.00 C ATOM 822 O ARG A 56 -5.620 13.147 11.163 1.00 0.00 O ATOM 823 CB ARG A 56 -5.612 10.103 9.730 1.00 0.00 C ATOM 824 CG ARG A 56 -4.324 10.124 10.584 1.00 0.00 C ATOM 825 CD ARG A 56 -3.456 8.860 10.416 1.00 0.00 C ATOM 826 NE ARG A 56 -2.175 8.973 11.139 1.00 0.00 N ATOM 827 CZ ARG A 56 -2.008 8.872 12.443 1.00 0.00 C ATOM 828 NH1 ARG A 56 -3.000 8.636 13.251 1.00 0.00 N ATOM 829 NH2 ARG A 56 -0.827 9.033 12.933 1.00 0.00 N ATOM 0 H ARG A 56 -7.579 10.618 8.284 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.038 11.052 11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.104 9.139 9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.336 10.179 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.733 11.000 10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.595 10.232 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.004 7.992 10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.262 8.691 9.357 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.341 9.145 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.944 8.523 12.881 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.834 8.564 14.255 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.041 9.235 12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.678 8.959 13.939 1.00 0.00 H new ATOM 843 N GLY A 57 -5.688 13.169 8.890 1.00 0.00 N ATOM 844 CA GLY A 57 -5.126 14.517 8.756 1.00 0.00 C ATOM 845 C GLY A 57 -6.210 15.577 8.537 1.00 0.00 C ATOM 846 O GLY A 57 -6.792 16.092 9.498 1.00 0.00 O ATOM 0 H GLY A 57 -5.872 12.703 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.557 14.762 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.427 14.536 7.919 1.00 0.00 H new ATOM 850 N ASN A 58 -6.495 15.866 7.259 1.00 0.00 N ATOM 851 CA ASN A 58 -7.522 16.850 6.820 1.00 0.00 C ATOM 852 C ASN A 58 -8.163 16.339 5.516 1.00 0.00 C ATOM 853 O ASN A 58 -9.378 16.106 5.446 1.00 0.00 O ATOM 854 CB ASN A 58 -6.894 18.264 6.597 1.00 0.00 C ATOM 855 CG ASN A 58 -6.519 19.006 7.886 1.00 0.00 C ATOM 856 OD1 ASN A 58 -7.369 18.945 8.897 1.00 0.00 O flip ATOM 857 ND2 ASN A 58 -5.487 19.667 7.955 1.00 0.00 N flip ATOM 0 H ASN A 58 -6.014 15.419 6.478 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.279 16.949 7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.001 18.158 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.599 18.875 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.847 19.698 7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.269 20.185 8.806 1.00 0.00 H new ATOM 864 N ASP A 59 -7.310 16.155 4.491 1.00 0.00 N ATOM 865 CA ASP A 59 -7.698 15.550 3.206 1.00 0.00 C ATOM 866 C ASP A 59 -6.440 14.960 2.521 1.00 0.00 C ATOM 867 O ASP A 59 -5.515 15.701 2.184 1.00 0.00 O ATOM 868 CB ASP A 59 -8.390 16.603 2.285 1.00 0.00 C ATOM 869 CG ASP A 59 -9.254 15.978 1.170 1.00 0.00 C ATOM 870 OD1 ASP A 59 -8.738 15.151 0.386 1.00 0.00 O ATOM 871 OD2 ASP A 59 -10.468 16.292 1.089 1.00 0.00 O ATOM 0 H ASP A 59 -6.327 16.424 4.533 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.416 14.750 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.016 17.252 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.626 17.233 1.830 1.00 0.00 H new ATOM 876 N LEU A 60 -6.401 13.625 2.349 1.00 0.00 N ATOM 877 CA LEU A 60 -5.311 12.926 1.613 1.00 0.00 C ATOM 878 C LEU A 60 -5.864 12.155 0.378 1.00 0.00 C ATOM 879 O LEU A 60 -5.110 11.435 -0.292 1.00 0.00 O ATOM 880 CB LEU A 60 -4.534 11.969 2.575 1.00 0.00 C ATOM 881 CG LEU A 60 -3.765 12.652 3.767 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.008 11.613 4.627 1.00 0.00 C ATOM 883 CD2 LEU A 60 -2.801 13.754 3.269 1.00 0.00 C ATOM 0 H LEU A 60 -7.117 12.996 2.712 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.615 13.678 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.243 11.253 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.815 11.401 1.985 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.517 13.126 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.489 12.122 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.718 10.897 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.282 11.087 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.289 14.202 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.066 13.316 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.367 14.522 2.742 1.00 0.00 H new ATOM 895 N MET A 61 -7.170 12.365 0.075 1.00 0.00 N ATOM 896 CA MET A 61 -7.907 11.709 -1.044 1.00 0.00 C ATOM 897 C MET A 61 -9.390 12.156 -0.998 1.00 0.00 C ATOM 898 O MET A 61 -10.097 11.812 -0.055 1.00 0.00 O ATOM 899 CB MET A 61 -7.798 10.141 -0.958 1.00 0.00 C ATOM 900 CG MET A 61 -8.408 9.349 -2.138 1.00 0.00 C ATOM 901 SD MET A 61 -10.221 9.347 -2.171 1.00 0.00 S ATOM 902 CE MET A 61 -10.636 8.569 -0.603 1.00 0.00 C ATOM 0 H MET A 61 -7.755 13.007 0.610 1.00 0.00 H new ATOM 0 HA MET A 61 -7.460 12.013 -1.991 1.00 0.00 H new ATOM 0 HB2 MET A 61 -6.744 9.875 -0.875 1.00 0.00 H new ATOM 0 HB3 MET A 61 -8.283 9.814 -0.038 1.00 0.00 H new ATOM 0 HG2 MET A 61 -8.039 9.770 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 61 -8.055 8.319 -2.091 1.00 0.00 H new ATOM 0 HE1 MET A 61 -11.421 9.142 -0.109 1.00 0.00 H new ATOM 0 HE2 MET A 61 -10.986 7.553 -0.783 1.00 0.00 H new ATOM 0 HE3 MET A 61 -9.752 8.541 0.034 1.00 0.00 H new ATOM 912 N THR A 62 -9.849 12.950 -1.994 1.00 0.00 N ATOM 913 CA THR A 62 -11.277 13.382 -2.092 1.00 0.00 C ATOM 914 C THR A 62 -12.084 12.409 -2.998 1.00 0.00 C ATOM 915 O THR A 62 -11.901 12.427 -4.222 1.00 0.00 O ATOM 916 CB THR A 62 -11.409 14.846 -2.658 1.00 0.00 C ATOM 917 OG1 THR A 62 -10.593 15.747 -1.891 1.00 0.00 O ATOM 918 CG2 THR A 62 -12.865 15.359 -2.632 1.00 0.00 C ATOM 0 H THR A 62 -9.257 13.308 -2.744 1.00 0.00 H new ATOM 0 HA THR A 62 -11.684 13.365 -1.081 1.00 0.00 H new ATOM 0 HB THR A 62 -11.077 14.812 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.160 15.256 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.901 16.372 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.492 14.706 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.232 15.361 -1.606 1.00 0.00 H new ATOM 926 N PRO A 63 -12.967 11.519 -2.425 1.00 0.00 N ATOM 927 CA PRO A 63 -13.794 10.584 -3.232 1.00 0.00 C ATOM 928 C PRO A 63 -15.092 11.236 -3.804 1.00 0.00 C ATOM 929 O PRO A 63 -15.349 11.129 -5.002 1.00 0.00 O ATOM 930 CB PRO A 63 -14.109 9.453 -2.222 1.00 0.00 C ATOM 931 CG PRO A 63 -14.162 10.141 -0.884 1.00 0.00 C ATOM 932 CD PRO A 63 -13.199 11.321 -0.965 1.00 0.00 C ATOM 0 HA PRO A 63 -13.277 10.242 -4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.056 8.966 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.340 8.680 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.174 10.481 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.873 9.458 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.626 12.213 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.267 11.109 -0.441 1.00 0.00 H new ATOM 940 N ARG A 64 -15.875 11.924 -2.926 1.00 0.00 N ATOM 941 CA ARG A 64 -17.224 12.487 -3.230 1.00 0.00 C ATOM 942 C ARG A 64 -18.295 11.389 -3.507 1.00 0.00 C ATOM 943 O ARG A 64 -18.031 10.431 -4.236 1.00 0.00 O ATOM 944 CB ARG A 64 -17.191 13.514 -4.404 1.00 0.00 C ATOM 945 CG ARG A 64 -16.372 14.784 -4.097 1.00 0.00 C ATOM 946 CD ARG A 64 -16.415 15.821 -5.232 1.00 0.00 C ATOM 947 NE ARG A 64 -15.726 17.075 -4.851 1.00 0.00 N ATOM 948 CZ ARG A 64 -16.318 18.223 -4.590 1.00 0.00 C ATOM 949 NH1 ARG A 64 -17.605 18.366 -4.703 1.00 0.00 N ATOM 950 NH2 ARG A 64 -15.606 19.241 -4.228 1.00 0.00 N ATOM 0 H ARG A 64 -15.580 12.107 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.520 13.015 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -16.775 13.029 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -18.213 13.803 -4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -16.750 15.240 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.336 14.504 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.947 15.405 -6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.452 16.038 -5.488 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.708 17.048 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -18.182 17.579 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.038 19.266 -4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.593 19.152 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.058 20.133 -4.024 1.00 0.00 H new ATOM 964 N PRO A 65 -19.541 11.522 -2.934 1.00 0.00 N ATOM 965 CA PRO A 65 -20.684 10.613 -3.262 1.00 0.00 C ATOM 966 C PRO A 65 -21.380 10.980 -4.613 1.00 0.00 C ATOM 967 O PRO A 65 -22.614 10.996 -4.731 1.00 0.00 O ATOM 968 CB PRO A 65 -21.607 10.798 -2.039 1.00 0.00 C ATOM 969 CG PRO A 65 -21.394 12.226 -1.624 1.00 0.00 C ATOM 970 CD PRO A 65 -19.928 12.522 -1.891 1.00 0.00 C ATOM 0 HA PRO A 65 -20.383 9.577 -3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -22.650 10.610 -2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -21.347 10.108 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -22.038 12.898 -2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -21.636 12.367 -0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.785 13.543 -2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -19.327 12.410 -0.988 1.00 0.00 H new ATOM 978 N GLU A 66 -20.542 11.224 -5.635 1.00 0.00 N ATOM 979 CA GLU A 66 -20.942 11.577 -7.013 1.00 0.00 C ATOM 980 C GLU A 66 -20.053 10.760 -7.991 1.00 0.00 C ATOM 981 O GLU A 66 -19.003 10.239 -7.590 1.00 0.00 O ATOM 982 CB GLU A 66 -20.782 13.125 -7.200 1.00 0.00 C ATOM 983 CG GLU A 66 -21.369 13.749 -8.506 1.00 0.00 C ATOM 984 CD GLU A 66 -20.334 13.975 -9.635 1.00 0.00 C ATOM 985 OE1 GLU A 66 -19.416 14.803 -9.455 1.00 0.00 O ATOM 986 OE2 GLU A 66 -20.447 13.336 -10.702 1.00 0.00 O ATOM 0 H GLU A 66 -19.529 11.180 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 66 -21.984 11.331 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -21.251 13.619 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -19.719 13.362 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -22.159 13.098 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -21.833 14.704 -8.260 1.00 0.00 H new ATOM 993 N PHE A 67 -20.450 10.662 -9.267 1.00 0.00 N ATOM 994 CA PHE A 67 -19.744 9.825 -10.286 1.00 0.00 C ATOM 995 C PHE A 67 -18.543 10.579 -10.948 1.00 0.00 C ATOM 996 O PHE A 67 -18.243 10.388 -12.133 1.00 0.00 O ATOM 997 CB PHE A 67 -20.779 9.317 -11.345 1.00 0.00 C ATOM 998 CG PHE A 67 -21.648 10.407 -11.991 1.00 0.00 C ATOM 999 CD1 PHE A 67 -22.855 10.809 -11.402 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -21.262 11.035 -13.179 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -23.640 11.793 -11.981 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -22.049 12.017 -13.755 1.00 0.00 C ATOM 1003 CZ PHE A 67 -23.236 12.397 -13.156 1.00 0.00 C ATOM 0 H PHE A 67 -21.265 11.153 -9.635 1.00 0.00 H new ATOM 0 HA PHE A 67 -19.304 8.963 -9.783 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -20.239 8.792 -12.133 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -21.435 8.589 -10.867 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -23.178 10.344 -10.482 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -20.335 10.749 -13.655 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -24.568 12.088 -11.514 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -21.735 12.488 -14.675 1.00 0.00 H new ATOM 0 HZ PHE A 67 -23.847 13.165 -13.606 1.00 0.00 H new ATOM 1013 N ASN A 68 -17.817 11.380 -10.135 1.00 0.00 N ATOM 1014 CA ASN A 68 -16.696 12.234 -10.591 1.00 0.00 C ATOM 1015 C ASN A 68 -15.477 11.401 -11.084 1.00 0.00 C ATOM 1016 O ASN A 68 -14.887 11.719 -12.124 1.00 0.00 O ATOM 1017 CB ASN A 68 -16.266 13.172 -9.425 1.00 0.00 C ATOM 1018 CG ASN A 68 -15.163 14.173 -9.797 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -14.287 14.478 -8.992 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -15.225 14.739 -10.989 1.00 0.00 N ATOM 0 H ASN A 68 -17.995 11.452 -9.133 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.044 12.820 -11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -17.139 13.724 -9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.921 12.561 -8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.537 15.444 -11.255 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.961 14.471 -11.643 1.00 0.00 H new ATOM 1027 N PHE A 69 -15.129 10.349 -10.312 1.00 0.00 N ATOM 1028 CA PHE A 69 -13.966 9.460 -10.553 1.00 0.00 C ATOM 1029 C PHE A 69 -12.599 10.212 -10.446 1.00 0.00 C ATOM 1030 O PHE A 69 -12.201 10.919 -11.383 1.00 0.00 O ATOM 1031 CB PHE A 69 -14.094 8.700 -11.912 1.00 0.00 C ATOM 1032 CG PHE A 69 -12.884 7.830 -12.277 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -12.593 6.666 -11.560 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -12.027 8.187 -13.325 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -11.489 5.895 -11.879 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -10.923 7.416 -13.636 1.00 0.00 C ATOM 1037 CZ PHE A 69 -10.657 6.267 -12.917 1.00 0.00 C ATOM 0 H PHE A 69 -15.661 10.086 -9.482 1.00 0.00 H new ATOM 0 HA PHE A 69 -13.976 8.718 -9.754 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.981 8.068 -11.877 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.253 9.429 -12.707 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -13.237 6.365 -10.747 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.232 9.079 -13.899 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -11.277 4.999 -11.314 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.268 7.712 -14.442 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.799 5.660 -13.166 1.00 0.00 H new ATOM 1047 N PRO A 70 -11.875 10.098 -9.284 1.00 0.00 N ATOM 1048 CA PRO A 70 -10.470 10.583 -9.150 1.00 0.00 C ATOM 1049 C PRO A 70 -9.435 9.625 -9.807 1.00 0.00 C ATOM 1050 O PRO A 70 -9.725 8.439 -10.043 1.00 0.00 O ATOM 1051 CB PRO A 70 -10.255 10.671 -7.598 1.00 0.00 C ATOM 1052 CG PRO A 70 -11.613 10.415 -6.988 1.00 0.00 C ATOM 1053 CD PRO A 70 -12.365 9.564 -7.988 1.00 0.00 C ATOM 0 HA PRO A 70 -10.320 11.533 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.527 9.933 -7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.873 11.650 -7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.520 9.902 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.139 11.351 -6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.139 8.504 -7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.445 9.672 -7.885 1.00 0.00 H new ATOM 1061 N GLY A 71 -8.234 10.163 -10.118 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.099 9.344 -10.583 1.00 0.00 C ATOM 1063 C GLY A 71 -6.582 8.424 -9.473 1.00 0.00 C ATOM 1064 O GLY A 71 -6.021 8.916 -8.487 1.00 0.00 O ATOM 0 H GLY A 71 -8.029 11.160 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.407 8.745 -11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.294 9.995 -10.923 1.00 0.00 H new ATOM 1068 N LEU A 72 -6.773 7.093 -9.655 1.00 0.00 N ATOM 1069 CA LEU A 72 -6.649 6.066 -8.577 1.00 0.00 C ATOM 1070 C LEU A 72 -7.760 6.240 -7.506 1.00 0.00 C ATOM 1071 O LEU A 72 -8.018 7.350 -7.021 1.00 0.00 O ATOM 1072 CB LEU A 72 -5.239 6.015 -7.896 1.00 0.00 C ATOM 1073 CG LEU A 72 -4.090 5.313 -8.694 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -3.689 6.089 -9.967 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -2.876 5.050 -7.783 1.00 0.00 C ATOM 0 H LEU A 72 -7.020 6.694 -10.561 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.776 5.108 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.928 7.038 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.344 5.508 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.476 4.352 -9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.889 5.557 -10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.551 6.174 -10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.344 7.086 -9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.089 4.562 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.504 5.996 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.175 4.406 -6.956 1.00 0.00 H new ATOM 1087 N LYS A 73 -8.397 5.119 -7.129 1.00 0.00 N ATOM 1088 CA LYS A 73 -9.514 5.106 -6.160 1.00 0.00 C ATOM 1089 C LYS A 73 -9.547 3.793 -5.347 1.00 0.00 C ATOM 1090 O LYS A 73 -8.745 2.880 -5.575 1.00 0.00 O ATOM 1091 CB LYS A 73 -10.883 5.421 -6.872 1.00 0.00 C ATOM 1092 CG LYS A 73 -11.096 4.802 -8.280 1.00 0.00 C ATOM 1093 CD LYS A 73 -11.304 3.267 -8.298 1.00 0.00 C ATOM 1094 CE LYS A 73 -11.570 2.749 -9.722 1.00 0.00 C ATOM 1095 NZ LYS A 73 -11.758 1.283 -9.773 1.00 0.00 N ATOM 0 H LYS A 73 -8.155 4.194 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.346 5.904 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.690 5.079 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.981 6.503 -6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.963 5.276 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.233 5.043 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.421 2.775 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.142 3.005 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.458 3.239 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.736 3.026 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.450 1.047 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.850 0.824 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.106 0.945 -8.853 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.481 3.738 -4.387 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.590 2.641 -3.405 1.00 0.00 C ATOM 1111 C ALA A 74 -10.849 1.255 -4.046 1.00 0.00 C ATOM 1112 O ALA A 74 -11.744 1.101 -4.891 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.679 2.985 -2.402 1.00 0.00 C ATOM 0 H ALA A 74 -11.191 4.460 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.625 2.552 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.768 2.181 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.423 3.913 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.628 3.108 -2.923 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.054 0.259 -3.613 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.139 -1.113 -4.118 1.00 0.00 C ATOM 1121 C GLY A 75 -9.737 -1.247 -5.587 1.00 0.00 C ATOM 1122 O GLY A 75 -10.383 -1.971 -6.351 1.00 0.00 O ATOM 0 H GLY A 75 -9.335 0.389 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.498 -1.755 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.160 -1.475 -3.994 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.665 -0.530 -5.992 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.120 -0.610 -7.358 1.00 0.00 C ATOM 1128 C ASP A 76 -6.611 -0.971 -7.314 1.00 0.00 C ATOM 1129 O ASP A 76 -5.772 -0.141 -6.941 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.356 0.739 -8.086 1.00 0.00 C ATOM 1131 CG ASP A 76 -8.109 0.661 -9.600 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.059 0.335 -10.345 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -6.974 0.918 -10.047 1.00 0.00 O ATOM 0 H ASP A 76 -8.160 0.114 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.632 -1.397 -7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.380 1.066 -7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.700 1.496 -7.656 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.285 -2.233 -7.647 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.886 -2.696 -7.758 1.00 0.00 C ATOM 1140 C ARG A 77 -4.316 -2.338 -9.161 1.00 0.00 C ATOM 1141 O ARG A 77 -4.399 -3.144 -10.083 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.854 -4.240 -7.508 1.00 0.00 C ATOM 1143 CG ARG A 77 -3.456 -4.940 -7.589 1.00 0.00 C ATOM 1144 CD ARG A 77 -3.460 -6.202 -8.494 1.00 0.00 C ATOM 1145 NE ARG A 77 -3.897 -5.872 -9.869 1.00 0.00 N ATOM 1146 CZ ARG A 77 -3.542 -6.466 -10.986 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -2.887 -7.578 -10.998 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -3.922 -5.945 -12.103 1.00 0.00 N ATOM 0 H ARG A 77 -6.976 -2.957 -7.846 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.261 -2.201 -7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.274 -4.433 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.514 -4.715 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.722 -4.230 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.138 -5.221 -6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.461 -6.636 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.124 -6.955 -8.069 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.549 -5.093 -9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.627 -8.026 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.629 -8.009 -11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.483 -5.093 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.661 -6.385 -12.986 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.743 -1.121 -9.299 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.090 -0.632 -10.560 1.00 0.00 C ATOM 1164 C TRP A 78 -2.299 0.669 -10.280 1.00 0.00 C ATOM 1165 O TRP A 78 -2.879 1.663 -9.828 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.109 -0.361 -11.734 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.503 -1.579 -12.549 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -3.676 -2.356 -13.319 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -5.816 -2.152 -12.677 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.390 -3.377 -13.895 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -5.705 -3.272 -13.521 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -7.067 -1.828 -12.149 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -6.801 -4.065 -13.854 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -8.156 -2.614 -12.476 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -8.017 -3.725 -13.321 1.00 0.00 C ATOM 0 H TRP A 78 -3.714 -0.438 -8.542 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.425 -1.433 -10.883 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.012 0.081 -11.313 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.675 0.379 -12.406 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.617 -2.189 -13.453 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.004 -4.099 -14.504 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.182 -0.976 -11.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -6.696 -4.917 -14.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.128 -2.369 -12.075 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -8.885 -4.324 -13.556 1.00 0.00 H new ATOM 1186 N CYS A 79 -0.967 0.634 -10.548 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.048 1.817 -10.465 1.00 0.00 C ATOM 1188 C CYS A 79 -0.118 2.546 -9.087 1.00 0.00 C ATOM 1189 O CYS A 79 0.196 3.740 -8.977 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.334 2.799 -11.630 1.00 0.00 C ATOM 1191 SG CYS A 79 0.854 4.167 -11.766 1.00 0.00 S ATOM 0 H CYS A 79 -0.489 -0.222 -10.831 1.00 0.00 H new ATOM 0 HA CYS A 79 0.970 1.439 -10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.337 2.242 -12.567 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.334 3.213 -11.503 1.00 0.00 H new ATOM 0 HG CYS A 79 1.123 4.628 -10.580 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.495 1.785 -8.041 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.692 2.290 -6.671 1.00 0.00 C ATOM 1199 C LEU A 80 0.632 2.846 -6.087 1.00 0.00 C ATOM 1200 O LEU A 80 1.677 2.196 -6.163 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.295 1.146 -5.787 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.737 1.472 -4.304 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.556 1.444 -3.306 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.523 2.805 -4.232 1.00 0.00 C ATOM 0 H LEU A 80 -0.674 0.785 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.395 3.123 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.166 0.751 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.559 0.343 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.410 0.672 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.920 1.675 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.102 0.453 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.188 2.184 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.813 3.001 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.894 3.618 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.416 2.735 -4.853 1.00 0.00 H new ATOM 1216 N CYS A 81 0.558 4.063 -5.515 1.00 0.00 N ATOM 1217 CA CYS A 81 1.706 4.741 -4.886 1.00 0.00 C ATOM 1218 C CYS A 81 2.233 3.946 -3.669 1.00 0.00 C ATOM 1219 O CYS A 81 1.633 3.979 -2.585 1.00 0.00 O ATOM 1220 CB CYS A 81 1.304 6.168 -4.463 1.00 0.00 C ATOM 1221 SG CYS A 81 2.606 7.079 -3.598 1.00 0.00 S ATOM 0 H CYS A 81 -0.305 4.606 -5.476 1.00 0.00 H new ATOM 0 HA CYS A 81 2.512 4.797 -5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.011 6.729 -5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.427 6.110 -3.819 1.00 0.00 H new ATOM 0 HG CYS A 81 2.173 8.265 -3.287 1.00 0.00 H new ATOM 1227 N ALA A 82 3.349 3.210 -3.882 1.00 0.00 N ATOM 1228 CA ALA A 82 4.015 2.397 -2.830 1.00 0.00 C ATOM 1229 C ALA A 82 4.465 3.256 -1.619 1.00 0.00 C ATOM 1230 O ALA A 82 4.592 2.746 -0.509 1.00 0.00 O ATOM 1231 CB ALA A 82 5.216 1.635 -3.423 1.00 0.00 C ATOM 0 H ALA A 82 3.815 3.161 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 82 3.280 1.681 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.694 1.044 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.871 0.974 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.934 2.347 -3.830 1.00 0.00 H new ATOM 1237 N SER A 83 4.710 4.559 -1.866 1.00 0.00 N ATOM 1238 CA SER A 83 5.039 5.549 -0.812 1.00 0.00 C ATOM 1239 C SER A 83 3.826 5.848 0.103 1.00 0.00 C ATOM 1240 O SER A 83 3.989 6.023 1.308 1.00 0.00 O ATOM 1241 CB SER A 83 5.529 6.866 -1.454 1.00 0.00 C ATOM 1242 OG SER A 83 6.680 6.653 -2.258 1.00 0.00 O ATOM 0 H SER A 83 4.686 4.959 -2.804 1.00 0.00 H new ATOM 0 HA SER A 83 5.828 5.115 -0.198 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.732 7.294 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.758 7.590 -0.672 1.00 0.00 H new ATOM 0 HG SER A 83 6.966 7.504 -2.652 1.00 0.00 H new ATOM 1248 N ARG A 84 2.621 5.945 -0.497 1.00 0.00 N ATOM 1249 CA ARG A 84 1.358 6.217 0.248 1.00 0.00 C ATOM 1250 C ARG A 84 0.875 4.956 1.024 1.00 0.00 C ATOM 1251 O ARG A 84 0.286 5.066 2.109 1.00 0.00 O ATOM 1252 CB ARG A 84 0.262 6.737 -0.726 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.993 7.333 -0.036 1.00 0.00 C ATOM 1254 CD ARG A 84 -1.957 8.019 -1.027 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.314 9.129 -1.770 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.944 10.138 -2.348 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -3.227 10.298 -2.231 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.268 11.010 -3.022 1.00 0.00 N ATOM 0 H ARG A 84 2.489 5.839 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 84 1.556 6.993 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.701 7.499 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.051 5.915 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.524 6.539 0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.678 8.056 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.330 7.280 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.820 8.403 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.297 9.113 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.776 9.636 -1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.686 11.086 -2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.256 10.917 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.747 11.791 -3.471 1.00 0.00 H new ATOM 1272 N TRP A 85 1.143 3.763 0.453 1.00 0.00 N ATOM 1273 CA TRP A 85 0.926 2.460 1.136 1.00 0.00 C ATOM 1274 C TRP A 85 1.890 2.351 2.366 1.00 0.00 C ATOM 1275 O TRP A 85 1.466 1.994 3.476 1.00 0.00 O ATOM 1276 CB TRP A 85 1.090 1.284 0.100 1.00 0.00 C ATOM 1277 CG TRP A 85 1.695 0.012 0.654 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.895 -0.526 0.305 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.154 -0.859 1.668 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.163 -1.624 1.076 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.108 -1.858 1.906 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.026 -0.875 2.407 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.916 -2.868 2.849 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.214 -1.876 3.334 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.754 -2.856 3.555 1.00 0.00 C ATOM 0 H TRP A 85 1.515 3.671 -0.492 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.090 2.389 1.525 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.110 1.049 -0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.711 1.633 -0.725 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.543 -0.142 -0.469 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.017 -2.180 1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.780 -0.116 2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.663 -3.631 3.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.132 -1.903 3.903 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.577 -3.618 4.300 1.00 0.00 H new ATOM 1296 N GLN A 86 3.175 2.691 2.135 1.00 0.00 N ATOM 1297 CA GLN A 86 4.222 2.768 3.192 1.00 0.00 C ATOM 1298 C GLN A 86 3.825 3.757 4.316 1.00 0.00 C ATOM 1299 O GLN A 86 3.960 3.454 5.500 1.00 0.00 O ATOM 1300 CB GLN A 86 5.572 3.204 2.551 1.00 0.00 C ATOM 1301 CG GLN A 86 6.769 3.371 3.525 1.00 0.00 C ATOM 1302 CD GLN A 86 7.139 2.102 4.300 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.952 1.297 3.856 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.548 1.914 5.466 1.00 0.00 N ATOM 0 H GLN A 86 3.524 2.923 1.205 1.00 0.00 H new ATOM 0 HA GLN A 86 4.327 1.781 3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.846 2.469 1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.416 4.151 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.639 3.702 2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.534 4.161 4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.876 2.598 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.764 1.085 6.019 1.00 0.00 H new ATOM 1313 N GLU A 87 3.315 4.927 3.902 1.00 0.00 N ATOM 1314 CA GLU A 87 2.868 6.007 4.814 1.00 0.00 C ATOM 1315 C GLU A 87 1.731 5.525 5.746 1.00 0.00 C ATOM 1316 O GLU A 87 1.659 5.929 6.910 1.00 0.00 O ATOM 1317 CB GLU A 87 2.421 7.238 3.974 1.00 0.00 C ATOM 1318 CG GLU A 87 1.952 8.461 4.789 1.00 0.00 C ATOM 1319 CD GLU A 87 1.625 9.679 3.901 1.00 0.00 C ATOM 1320 OE1 GLU A 87 0.485 9.778 3.389 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.521 10.529 3.688 1.00 0.00 O ATOM 0 H GLU A 87 3.197 5.159 2.916 1.00 0.00 H new ATOM 0 HA GLU A 87 3.702 6.295 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.252 7.544 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.610 6.931 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.068 8.190 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.728 8.735 5.504 1.00 0.00 H new ATOM 1328 N ALA A 88 0.861 4.642 5.217 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.218 4.013 6.000 1.00 0.00 C ATOM 1330 C ALA A 88 0.344 3.055 7.090 1.00 0.00 C ATOM 1331 O ALA A 88 -0.174 3.011 8.208 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.197 3.278 5.071 1.00 0.00 C ATOM 0 H ALA A 88 0.887 4.347 4.241 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.760 4.805 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.987 2.819 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.636 3.988 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.663 2.505 4.518 1.00 0.00 H new ATOM 1338 N PHE A 89 1.409 2.300 6.762 1.00 0.00 N ATOM 1339 CA PHE A 89 2.085 1.399 7.733 1.00 0.00 C ATOM 1340 C PHE A 89 2.777 2.219 8.852 1.00 0.00 C ATOM 1341 O PHE A 89 2.739 1.849 10.030 1.00 0.00 O ATOM 1342 CB PHE A 89 3.107 0.491 6.999 1.00 0.00 C ATOM 1343 CG PHE A 89 3.615 -0.710 7.818 1.00 0.00 C ATOM 1344 CD1 PHE A 89 4.718 -0.599 8.675 1.00 0.00 C ATOM 1345 CD2 PHE A 89 3.003 -1.965 7.707 1.00 0.00 C ATOM 1346 CE1 PHE A 89 5.182 -1.692 9.389 1.00 0.00 C ATOM 1347 CE2 PHE A 89 3.471 -3.052 8.426 1.00 0.00 C ATOM 1348 CZ PHE A 89 4.559 -2.917 9.263 1.00 0.00 C ATOM 0 H PHE A 89 1.826 2.292 5.831 1.00 0.00 H new ATOM 0 HA PHE A 89 1.333 0.763 8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.648 0.119 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.963 1.098 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.215 0.354 8.781 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.154 -2.087 7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.033 -1.585 10.045 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.982 -4.010 8.331 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.923 -3.769 9.819 1.00 0.00 H new ATOM 1358 N GLU A 90 3.390 3.346 8.454 1.00 0.00 N ATOM 1359 CA GLU A 90 4.040 4.302 9.383 1.00 0.00 C ATOM 1360 C GLU A 90 2.988 5.050 10.259 1.00 0.00 C ATOM 1361 O GLU A 90 3.275 5.449 11.392 1.00 0.00 O ATOM 1362 CB GLU A 90 4.903 5.301 8.565 1.00 0.00 C ATOM 1363 CG GLU A 90 6.005 4.630 7.716 1.00 0.00 C ATOM 1364 CD GLU A 90 6.823 5.629 6.874 1.00 0.00 C ATOM 1365 OE1 GLU A 90 6.258 6.228 5.931 1.00 0.00 O ATOM 1366 OE2 GLU A 90 8.029 5.820 7.151 1.00 0.00 O ATOM 0 H GLU A 90 3.452 3.626 7.475 1.00 0.00 H new ATOM 0 HA GLU A 90 4.684 3.749 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.250 5.875 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.368 6.010 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.680 4.084 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.546 3.897 7.052 1.00 0.00 H new ATOM 1373 N ALA A 91 1.767 5.212 9.712 1.00 0.00 N ATOM 1374 CA ALA A 91 0.598 5.773 10.444 1.00 0.00 C ATOM 1375 C ALA A 91 -0.098 4.705 11.335 1.00 0.00 C ATOM 1376 O ALA A 91 -1.037 5.022 12.080 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.403 6.374 9.441 1.00 0.00 C ATOM 0 H ALA A 91 1.556 4.959 8.747 1.00 0.00 H new ATOM 0 HA ALA A 91 0.962 6.557 11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.257 6.784 9.980 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.083 7.168 8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.744 5.597 8.758 1.00 0.00 H new ATOM 1383 N GLY A 92 0.362 3.437 11.230 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.160 2.317 12.041 1.00 0.00 C ATOM 1385 C GLY A 92 -1.298 1.531 11.372 1.00 0.00 C ATOM 1386 O GLY A 92 -1.551 0.377 11.733 1.00 0.00 O ATOM 0 H GLY A 92 1.102 3.164 10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.658 1.632 12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.515 2.708 12.994 1.00 0.00 H new ATOM 1390 N MET A 93 -1.968 2.164 10.395 1.00 0.00 N ATOM 1391 CA MET A 93 -3.139 1.586 9.677 1.00 0.00 C ATOM 1392 C MET A 93 -2.736 0.416 8.709 1.00 0.00 C ATOM 1393 O MET A 93 -2.750 -0.747 9.130 1.00 0.00 O ATOM 1394 CB MET A 93 -3.971 2.726 8.965 1.00 0.00 C ATOM 1395 CG MET A 93 -3.131 3.891 8.403 1.00 0.00 C ATOM 1396 SD MET A 93 -4.073 5.193 7.577 1.00 0.00 S ATOM 1397 CE MET A 93 -4.656 4.358 6.106 1.00 0.00 C ATOM 0 H MET A 93 -1.718 3.099 10.072 1.00 0.00 H new ATOM 0 HA MET A 93 -3.792 1.125 10.418 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.542 2.283 8.149 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.692 3.128 9.677 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.566 4.337 9.221 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.405 3.487 7.697 1.00 0.00 H new ATOM 0 HE1 MET A 93 -4.416 4.958 5.228 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.172 3.385 6.024 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.736 4.222 6.169 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.375 0.739 7.437 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.930 -0.241 6.398 1.00 0.00 C ATOM 1409 C ALA A 94 -3.005 -1.323 6.013 1.00 0.00 C ATOM 1410 O ALA A 94 -3.360 -2.173 6.832 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.601 -0.916 6.800 1.00 0.00 C ATOM 0 H ALA A 94 -2.384 1.700 7.096 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.778 0.355 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.303 -1.623 6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.172 -0.157 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.733 -1.446 7.743 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.548 -1.295 4.747 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.428 -2.387 4.195 1.00 0.00 C ATOM 1419 C PRO A 95 -3.675 -3.744 3.959 1.00 0.00 C ATOM 1420 O PRO A 95 -2.470 -3.829 4.200 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.926 -1.784 2.839 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.634 -0.318 2.927 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.395 -0.189 3.772 1.00 0.00 C ATOM 0 HA PRO A 95 -5.225 -2.649 4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.409 -2.238 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.991 -1.965 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.476 0.108 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.469 0.220 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.487 -0.296 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.341 0.781 4.266 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.376 -4.850 3.520 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.700 -6.064 2.995 1.00 0.00 C ATOM 1433 C PRO A 96 -3.296 -5.903 1.498 1.00 0.00 C ATOM 1434 O PRO A 96 -4.093 -5.428 0.674 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.757 -7.200 3.189 1.00 0.00 C ATOM 1436 CG PRO A 96 -5.975 -6.544 3.799 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.846 -5.053 3.549 1.00 0.00 C ATOM 0 HA PRO A 96 -2.764 -6.272 3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.004 -7.669 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.370 -7.984 3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.889 -6.933 3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.031 -6.753 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.314 -4.759 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.320 -4.468 4.338 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.055 -6.297 1.157 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.526 -6.264 -0.234 1.00 0.00 C ATOM 1447 C VAL A 97 -1.060 -7.680 -0.663 1.00 0.00 C ATOM 1448 O VAL A 97 -0.558 -8.448 0.152 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.360 -5.198 -0.378 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.752 -5.403 0.680 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.237 -5.182 -1.811 1.00 0.00 C ATOM 0 H VAL A 97 -1.382 -6.650 1.837 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.328 -5.954 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.811 -4.223 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.528 -4.650 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.326 -5.307 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.185 -6.397 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.032 -4.438 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.643 -6.166 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.545 -4.931 -2.528 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.265 -8.031 -1.946 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.906 -9.365 -2.492 1.00 0.00 C ATOM 1463 C VAL A 98 0.513 -9.360 -3.159 1.00 0.00 C ATOM 1464 O VAL A 98 0.766 -8.618 -4.116 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.032 -9.872 -3.485 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.315 -8.854 -4.623 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.703 -11.277 -4.049 1.00 0.00 C ATOM 0 H VAL A 98 -1.682 -7.405 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.849 -10.070 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.949 -9.957 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.094 -9.247 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.646 -7.909 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.405 -8.691 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.497 -11.592 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.758 -11.239 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.622 -11.989 -3.228 1.00 0.00 H new ATOM 1477 N LEU A 99 1.426 -10.213 -2.628 1.00 0.00 N ATOM 1478 CA LEU A 99 2.847 -10.306 -3.077 1.00 0.00 C ATOM 1479 C LEU A 99 2.996 -10.712 -4.559 1.00 0.00 C ATOM 1480 O LEU A 99 3.756 -10.096 -5.314 1.00 0.00 O ATOM 1481 CB LEU A 99 3.613 -11.330 -2.199 1.00 0.00 C ATOM 1482 CG LEU A 99 3.736 -10.966 -0.696 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.469 -12.063 0.092 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.408 -9.592 -0.510 1.00 0.00 C ATOM 0 H LEU A 99 1.200 -10.860 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 99 3.267 -9.306 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.115 -12.296 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.616 -11.453 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 99 2.727 -10.897 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.537 -11.774 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.919 -13.000 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.472 -12.194 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.481 -9.363 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.407 -9.614 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.812 -8.826 -1.006 1.00 0.00 H new ATOM 1496 N GLN A 100 2.231 -11.740 -4.960 1.00 0.00 N ATOM 1497 CA GLN A 100 2.340 -12.387 -6.297 1.00 0.00 C ATOM 1498 C GLN A 100 1.726 -11.536 -7.450 1.00 0.00 C ATOM 1499 O GLN A 100 1.523 -12.041 -8.560 1.00 0.00 O ATOM 1500 CB GLN A 100 1.691 -13.803 -6.217 1.00 0.00 C ATOM 1501 CG GLN A 100 0.221 -13.812 -5.736 1.00 0.00 C ATOM 1502 CD GLN A 100 -0.331 -15.213 -5.462 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -0.225 -15.728 -4.352 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -0.935 -15.827 -6.454 1.00 0.00 N ATOM 0 H GLN A 100 1.511 -12.156 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 100 3.397 -12.474 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.740 -14.267 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.284 -14.422 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.143 -13.216 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.401 -13.328 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.008 -15.374 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.331 -16.756 -6.313 1.00 0.00 H new ATOM 1513 N SER A 101 1.463 -10.239 -7.185 1.00 0.00 N ATOM 1514 CA SER A 101 0.974 -9.278 -8.203 1.00 0.00 C ATOM 1515 C SER A 101 1.687 -7.898 -8.095 1.00 0.00 C ATOM 1516 O SER A 101 1.467 -7.023 -8.934 1.00 0.00 O ATOM 1517 CB SER A 101 -0.555 -9.108 -8.052 1.00 0.00 C ATOM 1518 OG SER A 101 -1.108 -8.330 -9.099 1.00 0.00 O ATOM 0 H SER A 101 1.583 -9.826 -6.260 1.00 0.00 H new ATOM 0 HA SER A 101 1.207 -9.680 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.030 -10.089 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.775 -8.636 -7.094 1.00 0.00 H new ATOM 0 HG SER A 101 -0.469 -7.635 -9.362 1.00 0.00 H new ATOM 1524 N THR A 102 2.534 -7.706 -7.063 1.00 0.00 N ATOM 1525 CA THR A 102 3.273 -6.432 -6.846 1.00 0.00 C ATOM 1526 C THR A 102 4.656 -6.469 -7.546 1.00 0.00 C ATOM 1527 O THR A 102 5.448 -7.387 -7.297 1.00 0.00 O ATOM 1528 CB THR A 102 3.463 -6.153 -5.310 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.184 -6.163 -4.651 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.159 -4.805 -5.029 1.00 0.00 C ATOM 0 H THR A 102 2.728 -8.418 -6.359 1.00 0.00 H new ATOM 0 HA THR A 102 2.681 -5.627 -7.281 1.00 0.00 H new ATOM 0 HB THR A 102 4.105 -6.945 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.868 -7.087 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.263 -4.667 -3.953 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.146 -4.801 -5.492 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.561 -3.993 -5.443 1.00 0.00 H new ATOM 1538 N GLU A 103 4.931 -5.481 -8.430 1.00 0.00 N ATOM 1539 CA GLU A 103 6.253 -5.340 -9.105 1.00 0.00 C ATOM 1540 C GLU A 103 7.391 -4.984 -8.102 1.00 0.00 C ATOM 1541 O GLU A 103 7.146 -4.370 -7.056 1.00 0.00 O ATOM 1542 CB GLU A 103 6.198 -4.262 -10.235 1.00 0.00 C ATOM 1543 CG GLU A 103 5.362 -4.628 -11.490 1.00 0.00 C ATOM 1544 CD GLU A 103 3.837 -4.651 -11.280 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.326 -3.808 -10.508 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.142 -5.471 -11.922 1.00 0.00 O ATOM 0 H GLU A 103 4.255 -4.765 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 103 6.479 -6.311 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.796 -3.342 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.218 -4.047 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.593 -3.914 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.678 -5.609 -11.844 1.00 0.00 H new ATOM 1553 N LYS A 104 8.647 -5.344 -8.464 1.00 0.00 N ATOM 1554 CA LYS A 104 9.851 -5.124 -7.606 1.00 0.00 C ATOM 1555 C LYS A 104 10.170 -3.603 -7.444 1.00 0.00 C ATOM 1556 O LYS A 104 10.835 -3.202 -6.483 1.00 0.00 O ATOM 1557 CB LYS A 104 11.060 -5.931 -8.202 1.00 0.00 C ATOM 1558 CG LYS A 104 12.272 -6.185 -7.249 1.00 0.00 C ATOM 1559 CD LYS A 104 13.270 -5.001 -7.156 1.00 0.00 C ATOM 1560 CE LYS A 104 14.344 -5.217 -6.078 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.217 -6.389 -6.367 1.00 0.00 N ATOM 0 H LYS A 104 8.860 -5.794 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 104 9.652 -5.494 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.689 -6.897 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.424 -5.399 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.894 -6.406 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.808 -7.071 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.754 -4.861 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.722 -4.084 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.959 -4.321 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.860 -5.358 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.923 -6.491 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.636 -7.250 -6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.701 -6.245 -7.276 1.00 0.00 H new ATOM 1575 N SER A 105 9.633 -2.761 -8.362 1.00 0.00 N ATOM 1576 CA SER A 105 9.778 -1.273 -8.309 1.00 0.00 C ATOM 1577 C SER A 105 9.262 -0.688 -6.967 1.00 0.00 C ATOM 1578 O SER A 105 9.723 0.373 -6.523 1.00 0.00 O ATOM 1579 CB SER A 105 9.027 -0.621 -9.500 1.00 0.00 C ATOM 1580 OG SER A 105 9.157 0.796 -9.505 1.00 0.00 O ATOM 0 H SER A 105 9.088 -3.087 -9.160 1.00 0.00 H new ATOM 0 HA SER A 105 10.841 -1.043 -8.381 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.415 -1.023 -10.436 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.971 -0.887 -9.452 1.00 0.00 H new ATOM 0 HG SER A 105 10.049 1.042 -9.829 1.00 0.00 H new ATOM 1586 N ALA A 106 8.308 -1.408 -6.334 1.00 0.00 N ATOM 1587 CA ALA A 106 7.777 -1.078 -4.991 1.00 0.00 C ATOM 1588 C ALA A 106 8.888 -0.970 -3.920 1.00 0.00 C ATOM 1589 O ALA A 106 8.880 -0.041 -3.117 1.00 0.00 O ATOM 1590 CB ALA A 106 6.746 -2.134 -4.564 1.00 0.00 C ATOM 0 H ALA A 106 7.882 -2.240 -6.743 1.00 0.00 H new ATOM 0 HA ALA A 106 7.304 -0.099 -5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.359 -1.886 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.925 -2.152 -5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.221 -3.114 -4.532 1.00 0.00 H new ATOM 1596 N LEU A 107 9.856 -1.908 -3.955 1.00 0.00 N ATOM 1597 CA LEU A 107 10.924 -2.050 -2.916 1.00 0.00 C ATOM 1598 C LEU A 107 11.872 -0.819 -2.803 1.00 0.00 C ATOM 1599 O LEU A 107 12.713 -0.775 -1.901 1.00 0.00 O ATOM 1600 CB LEU A 107 11.746 -3.362 -3.143 1.00 0.00 C ATOM 1601 CG LEU A 107 11.107 -4.691 -2.609 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.740 -4.995 -3.268 1.00 0.00 C ATOM 1603 CD2 LEU A 107 12.085 -5.878 -2.777 1.00 0.00 C ATOM 0 H LEU A 107 9.929 -2.597 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 107 10.401 -2.108 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.921 -3.474 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.721 -3.239 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 107 10.917 -4.550 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.340 -5.925 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.046 -4.181 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.870 -5.094 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.620 -6.789 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.326 -6.004 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.999 -5.679 -2.217 1.00 0.00 H new ATOM 1615 N ARG A 108 11.741 0.162 -3.712 1.00 0.00 N ATOM 1616 CA ARG A 108 12.472 1.451 -3.613 1.00 0.00 C ATOM 1617 C ARG A 108 11.735 2.455 -2.681 1.00 0.00 C ATOM 1618 O ARG A 108 12.364 3.254 -1.980 1.00 0.00 O ATOM 1619 CB ARG A 108 12.654 2.070 -5.023 1.00 0.00 C ATOM 1620 CG ARG A 108 13.386 1.160 -6.036 1.00 0.00 C ATOM 1621 CD ARG A 108 13.718 1.899 -7.345 1.00 0.00 C ATOM 1622 NE ARG A 108 14.575 3.077 -7.100 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.154 3.813 -8.018 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.996 3.569 -9.284 1.00 0.00 N ATOM 1625 NH2 ARG A 108 15.891 4.810 -7.646 1.00 0.00 N ATOM 0 H ARG A 108 11.135 0.093 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 108 13.451 1.247 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.672 2.322 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.208 3.004 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.307 0.787 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.765 0.292 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.222 1.218 -8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.794 2.214 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 108 14.731 3.342 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.410 2.790 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.458 4.157 -9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.013 5.012 -6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.350 5.394 -8.345 1.00 0.00 H new ATOM 1639 N TYR A 109 10.396 2.391 -2.700 1.00 0.00 N ATOM 1640 CA TYR A 109 9.496 3.340 -1.988 1.00 0.00 C ATOM 1641 C TYR A 109 8.934 2.721 -0.686 1.00 0.00 C ATOM 1642 O TYR A 109 8.535 3.437 0.239 1.00 0.00 O ATOM 1643 CB TYR A 109 8.340 3.732 -2.943 1.00 0.00 C ATOM 1644 CG TYR A 109 8.834 4.264 -4.302 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.177 3.389 -5.341 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.985 5.632 -4.535 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.652 3.857 -6.549 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.455 6.104 -5.745 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.788 5.213 -6.748 1.00 0.00 C ATOM 1650 OH TYR A 109 10.259 5.683 -7.957 1.00 0.00 O ATOM 0 H TYR A 109 9.890 1.671 -3.215 1.00 0.00 H new ATOM 0 HA TYR A 109 10.065 4.225 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.703 2.863 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.723 4.492 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.067 2.325 -5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.730 6.334 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.916 3.164 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.562 7.166 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 109 10.295 6.662 -7.936 1.00 0.00 H new ATOM 1660 N VAL A 110 8.922 1.385 -0.637 1.00 0.00 N ATOM 1661 CA VAL A 110 8.437 0.598 0.515 1.00 0.00 C ATOM 1662 C VAL A 110 9.435 -0.560 0.784 1.00 0.00 C ATOM 1663 O VAL A 110 10.361 -0.774 -0.001 1.00 0.00 O ATOM 1664 CB VAL A 110 6.973 0.046 0.230 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.959 -1.125 -0.784 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.247 -0.352 1.529 1.00 0.00 C ATOM 0 H VAL A 110 9.254 0.805 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 110 8.380 1.230 1.401 1.00 0.00 H new ATOM 0 HB VAL A 110 6.428 0.872 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.933 -1.460 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.378 -0.790 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.555 -1.950 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.251 -0.724 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.813 -1.132 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.163 0.518 2.180 1.00 0.00 H new ATOM 1676 N SER A 111 9.277 -1.281 1.899 1.00 0.00 N ATOM 1677 CA SER A 111 10.049 -2.524 2.150 1.00 0.00 C ATOM 1678 C SER A 111 9.278 -3.768 1.668 1.00 0.00 C ATOM 1679 O SER A 111 8.045 -3.768 1.636 1.00 0.00 O ATOM 1680 CB SER A 111 10.386 -2.657 3.650 1.00 0.00 C ATOM 1681 OG SER A 111 11.016 -3.897 3.947 1.00 0.00 O ATOM 0 H SER A 111 8.627 -1.035 2.645 1.00 0.00 H new ATOM 0 HA SER A 111 10.977 -2.459 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.040 -1.838 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.472 -2.565 4.236 1.00 0.00 H new ATOM 0 HG SER A 111 11.357 -3.879 4.865 1.00 0.00 H new ATOM 1687 N LEU A 112 10.018 -4.823 1.279 1.00 0.00 N ATOM 1688 CA LEU A 112 9.436 -6.168 1.061 1.00 0.00 C ATOM 1689 C LEU A 112 8.791 -6.685 2.360 1.00 0.00 C ATOM 1690 O LEU A 112 7.685 -7.209 2.337 1.00 0.00 O ATOM 1691 CB LEU A 112 10.517 -7.161 0.527 1.00 0.00 C ATOM 1692 CG LEU A 112 10.178 -8.712 0.558 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.814 -9.473 -0.623 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.614 -9.379 1.899 1.00 0.00 C ATOM 0 H LEU A 112 11.022 -4.773 1.108 1.00 0.00 H new ATOM 0 HA LEU A 112 8.657 -6.093 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.742 -6.888 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.428 -7.006 1.104 1.00 0.00 H new ATOM 0 HG LEU A 112 9.094 -8.779 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.554 -10.529 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.441 -9.065 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.898 -9.364 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.363 -10.439 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.690 -9.263 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.094 -8.901 2.729 1.00 0.00 H new ATOM 1706 N ALA A 113 9.503 -6.517 3.492 1.00 0.00 N ATOM 1707 CA ALA A 113 9.022 -6.949 4.830 1.00 0.00 C ATOM 1708 C ALA A 113 7.697 -6.239 5.210 1.00 0.00 C ATOM 1709 O ALA A 113 6.858 -6.801 5.909 1.00 0.00 O ATOM 1710 CB ALA A 113 10.105 -6.673 5.883 1.00 0.00 C ATOM 0 H ALA A 113 10.425 -6.080 3.510 1.00 0.00 H new ATOM 0 HA ALA A 113 8.821 -8.020 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.749 -6.991 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.009 -7.226 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.327 -5.606 5.906 1.00 0.00 H new ATOM 1716 N ASP A 114 7.545 -5.005 4.703 1.00 0.00 N ATOM 1717 CA ASP A 114 6.329 -4.179 4.856 1.00 0.00 C ATOM 1718 C ASP A 114 5.136 -4.817 4.081 1.00 0.00 C ATOM 1719 O ASP A 114 4.001 -4.871 4.582 1.00 0.00 O ATOM 1720 CB ASP A 114 6.643 -2.757 4.321 1.00 0.00 C ATOM 1721 CG ASP A 114 5.739 -1.661 4.887 1.00 0.00 C ATOM 1722 OD1 ASP A 114 4.602 -1.493 4.402 1.00 0.00 O ATOM 1723 OD2 ASP A 114 6.180 -0.963 5.823 1.00 0.00 O ATOM 0 H ASP A 114 8.276 -4.541 4.164 1.00 0.00 H new ATOM 0 HA ASP A 114 6.040 -4.122 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.680 -2.514 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.553 -2.762 3.235 1.00 0.00 H new ATOM 1728 N LEU A 115 5.441 -5.329 2.862 1.00 0.00 N ATOM 1729 CA LEU A 115 4.462 -6.012 1.986 1.00 0.00 C ATOM 1730 C LEU A 115 3.993 -7.341 2.629 1.00 0.00 C ATOM 1731 O LEU A 115 2.797 -7.575 2.811 1.00 0.00 O ATOM 1732 CB LEU A 115 5.091 -6.328 0.595 1.00 0.00 C ATOM 1733 CG LEU A 115 5.708 -5.142 -0.206 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.315 -5.617 -1.540 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.683 -4.032 -0.444 1.00 0.00 C ATOM 0 H LEU A 115 6.377 -5.278 2.460 1.00 0.00 H new ATOM 0 HA LEU A 115 3.611 -5.343 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.870 -7.076 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.321 -6.787 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 115 6.513 -4.730 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.736 -4.764 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.101 -6.346 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.538 -6.078 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.148 -3.222 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.841 -4.430 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.328 -3.653 0.514 1.00 0.00 H new ATOM 1747 N GLN A 116 4.986 -8.184 2.991 1.00 0.00 N ATOM 1748 CA GLN A 116 4.774 -9.564 3.493 1.00 0.00 C ATOM 1749 C GLN A 116 4.133 -9.575 4.898 1.00 0.00 C ATOM 1750 O GLN A 116 3.443 -10.535 5.265 1.00 0.00 O ATOM 1751 CB GLN A 116 6.120 -10.352 3.495 1.00 0.00 C ATOM 1752 CG GLN A 116 6.921 -10.263 2.168 1.00 0.00 C ATOM 1753 CD GLN A 116 7.744 -11.521 1.835 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.174 -12.252 2.718 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.968 -11.780 0.560 1.00 0.00 N ATOM 0 H GLN A 116 5.971 -7.923 2.943 1.00 0.00 H new ATOM 0 HA GLN A 116 4.076 -10.057 2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.744 -9.978 4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.912 -11.400 3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.226 -10.072 1.351 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.594 -9.407 2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.600 -11.157 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.509 -12.603 0.294 1.00 0.00 H new ATOM 1764 N ALA A 117 4.392 -8.502 5.675 1.00 0.00 N ATOM 1765 CA ALA A 117 3.709 -8.250 6.976 1.00 0.00 C ATOM 1766 C ALA A 117 2.161 -8.230 6.839 1.00 0.00 C ATOM 1767 O ALA A 117 1.443 -8.684 7.736 1.00 0.00 O ATOM 1768 CB ALA A 117 4.191 -6.923 7.588 1.00 0.00 C ATOM 0 H ALA A 117 5.075 -7.786 5.426 1.00 0.00 H new ATOM 0 HA ALA A 117 3.972 -9.077 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.683 -6.754 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.267 -6.969 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.965 -6.104 6.905 1.00 0.00 H new ATOM 1774 N HIS A 118 1.662 -7.679 5.715 1.00 0.00 N ATOM 1775 CA HIS A 118 0.206 -7.610 5.402 1.00 0.00 C ATOM 1776 C HIS A 118 -0.155 -8.498 4.181 1.00 0.00 C ATOM 1777 O HIS A 118 -1.116 -8.214 3.453 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.205 -6.125 5.173 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.296 -5.313 6.439 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.478 -4.781 6.908 1.00 0.00 N ATOM 1781 CD2 HIS A 118 0.645 -4.981 7.357 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -1.262 -4.165 8.052 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.015 -4.268 8.349 1.00 0.00 N ATOM 0 H HIS A 118 2.252 -7.266 4.992 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.356 -8.002 6.249 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.518 -5.657 4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.170 -6.100 4.667 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.695 -5.231 7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.009 -3.660 8.647 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.464 -3.882 9.179 1.00 0.00 H new ATOM 1792 N ALA A 119 0.603 -9.600 3.993 1.00 0.00 N ATOM 1793 CA ALA A 119 0.379 -10.559 2.886 1.00 0.00 C ATOM 1794 C ALA A 119 0.539 -12.034 3.327 1.00 0.00 C ATOM 1795 O ALA A 119 0.855 -12.331 4.487 1.00 0.00 O ATOM 1796 CB ALA A 119 1.346 -10.246 1.748 1.00 0.00 C ATOM 0 H ALA A 119 1.384 -9.850 4.600 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.653 -10.442 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.186 -10.949 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.173 -9.230 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.371 -10.335 2.107 1.00 0.00 H new ATOM 1802 N LEU A 120 0.303 -12.949 2.363 1.00 0.00 N ATOM 1803 CA LEU A 120 0.448 -14.415 2.553 1.00 0.00 C ATOM 1804 C LEU A 120 1.918 -14.891 2.325 1.00 0.00 C ATOM 1805 O LEU A 120 2.736 -14.148 1.769 1.00 0.00 O ATOM 1806 CB LEU A 120 -0.500 -15.189 1.575 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.070 -15.275 0.060 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -0.871 -16.364 -0.674 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.188 -13.915 -0.674 1.00 0.00 C ATOM 0 H LEU A 120 0.004 -12.693 1.422 1.00 0.00 H new ATOM 0 HA LEU A 120 0.174 -14.631 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.613 -16.206 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.484 -14.721 1.619 1.00 0.00 H new ATOM 0 HG LEU A 120 0.985 -15.547 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.558 -16.405 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.689 -17.330 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.934 -16.130 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.121 -14.034 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.222 -13.572 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.454 -13.181 -0.186 1.00 0.00 H new ATOM 1821 N PRO A 121 2.285 -16.129 2.798 1.00 0.00 N ATOM 1822 CA PRO A 121 3.513 -16.849 2.338 1.00 0.00 C ATOM 1823 C PRO A 121 3.627 -16.969 0.786 1.00 0.00 C ATOM 1824 O PRO A 121 2.784 -17.606 0.137 1.00 0.00 O ATOM 1825 CB PRO A 121 3.347 -18.248 2.990 1.00 0.00 C ATOM 1826 CG PRO A 121 2.595 -17.970 4.256 1.00 0.00 C ATOM 1827 CD PRO A 121 1.598 -16.888 3.890 1.00 0.00 C ATOM 0 HA PRO A 121 4.423 -16.320 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.797 -18.929 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 121 4.313 -18.711 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.090 -18.865 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 121 3.265 -17.637 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 121 0.653 -17.312 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.371 -16.247 4.742 1.00 0.00 H new ATOM 1835 N VAL A 122 4.653 -16.326 0.197 1.00 0.00 N ATOM 1836 CA VAL A 122 4.951 -16.453 -1.251 1.00 0.00 C ATOM 1837 C VAL A 122 5.856 -17.692 -1.511 1.00 0.00 C ATOM 1838 O VAL A 122 6.873 -17.887 -0.830 1.00 0.00 O ATOM 1839 CB VAL A 122 5.601 -15.131 -1.832 1.00 0.00 C ATOM 1840 CG1 VAL A 122 6.924 -14.750 -1.108 1.00 0.00 C ATOM 1841 CG2 VAL A 122 5.801 -15.224 -3.370 1.00 0.00 C ATOM 0 H VAL A 122 5.293 -15.711 0.699 1.00 0.00 H new ATOM 0 HA VAL A 122 4.008 -16.601 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 122 4.895 -14.324 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.328 -13.837 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 122 6.725 -14.588 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.647 -15.558 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.249 -14.300 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.458 -16.062 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.836 -15.375 -3.854 1.00 0.00 H new ATOM 1851 N LEU A 123 5.447 -18.549 -2.475 1.00 0.00 N ATOM 1852 CA LEU A 123 6.191 -19.775 -2.843 1.00 0.00 C ATOM 1853 C LEU A 123 5.962 -20.173 -4.326 1.00 0.00 C ATOM 1854 O LEU A 123 4.860 -19.999 -4.859 1.00 0.00 O ATOM 1855 CB LEU A 123 5.828 -20.925 -1.864 1.00 0.00 C ATOM 1856 CG LEU A 123 4.299 -21.192 -1.590 1.00 0.00 C ATOM 1857 CD1 LEU A 123 3.657 -22.163 -2.608 1.00 0.00 C ATOM 1858 CD2 LEU A 123 4.090 -21.666 -0.139 1.00 0.00 C ATOM 0 H LEU A 123 4.595 -18.410 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 123 7.258 -19.571 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.266 -21.846 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 123 6.310 -20.718 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 123 3.780 -20.243 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.604 -22.304 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.743 -21.747 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 123 4.170 -23.124 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.029 -21.846 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.647 -22.588 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.446 -20.899 0.549 1.00 0.00 H new ATOM 1870 N GLU A 124 7.023 -20.692 -4.986 1.00 0.00 N ATOM 1871 CA GLU A 124 6.950 -21.224 -6.361 1.00 0.00 C ATOM 1872 C GLU A 124 8.154 -22.155 -6.661 1.00 0.00 C ATOM 1873 O GLU A 124 9.280 -21.865 -6.251 1.00 0.00 O ATOM 1874 CB GLU A 124 6.920 -20.071 -7.400 1.00 0.00 C ATOM 1875 CG GLU A 124 6.695 -20.550 -8.844 1.00 0.00 C ATOM 1876 CD GLU A 124 6.704 -19.416 -9.877 1.00 0.00 C ATOM 1877 OE1 GLU A 124 5.649 -18.780 -10.089 1.00 0.00 O ATOM 1878 OE2 GLU A 124 7.768 -19.160 -10.486 1.00 0.00 O ATOM 0 H GLU A 124 7.955 -20.752 -4.576 1.00 0.00 H new ATOM 0 HA GLU A 124 6.028 -21.799 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.129 -19.371 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.861 -19.523 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.469 -21.272 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.740 -21.073 -8.900 1.00 0.00 H new ATOM 1885 N HIS A 125 7.902 -23.274 -7.379 1.00 0.00 N ATOM 1886 CA HIS A 125 8.975 -24.187 -7.857 1.00 0.00 C ATOM 1887 C HIS A 125 8.489 -25.025 -9.069 1.00 0.00 C ATOM 1888 O HIS A 125 7.408 -25.616 -9.030 1.00 0.00 O ATOM 1889 CB HIS A 125 9.458 -25.136 -6.719 1.00 0.00 C ATOM 1890 CG HIS A 125 10.640 -26.004 -7.096 1.00 0.00 C ATOM 1891 ND1 HIS A 125 10.510 -27.285 -7.604 1.00 0.00 N ATOM 1892 CD2 HIS A 125 11.976 -25.767 -7.047 1.00 0.00 C ATOM 1893 CE1 HIS A 125 11.705 -27.786 -7.853 1.00 0.00 C ATOM 1894 NE2 HIS A 125 12.607 -26.887 -7.525 1.00 0.00 N ATOM 0 H HIS A 125 6.962 -23.570 -7.643 1.00 0.00 H new ATOM 0 HA HIS A 125 9.815 -23.567 -8.170 1.00 0.00 H new ATOM 0 HB2 HIS A 125 9.725 -24.536 -5.849 1.00 0.00 H new ATOM 0 HB3 HIS A 125 8.630 -25.779 -6.421 1.00 0.00 H new ATOM 0 HD2 HIS A 125 12.453 -24.864 -6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 125 11.908 -28.767 -8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 125 13.616 -27.004 -7.612 1.00 0.00 H new ATOM 1903 N HIS A 126 9.311 -25.062 -10.136 1.00 0.00 N ATOM 1904 CA HIS A 126 9.084 -25.894 -11.350 1.00 0.00 C ATOM 1905 C HIS A 126 10.151 -27.018 -11.392 1.00 0.00 C ATOM 1906 O HIS A 126 11.283 -26.800 -10.952 1.00 0.00 O ATOM 1907 CB HIS A 126 9.179 -25.009 -12.627 1.00 0.00 C ATOM 1908 CG HIS A 126 8.210 -23.841 -12.676 1.00 0.00 C ATOM 1909 ND1 HIS A 126 7.234 -23.711 -13.639 1.00 0.00 N ATOM 1910 CD2 HIS A 126 8.091 -22.736 -11.888 1.00 0.00 C ATOM 1911 CE1 HIS A 126 6.567 -22.593 -13.450 1.00 0.00 C ATOM 1912 NE2 HIS A 126 7.059 -21.982 -12.393 1.00 0.00 N ATOM 0 H HIS A 126 10.166 -24.509 -10.186 1.00 0.00 H new ATOM 0 HA HIS A 126 8.089 -26.338 -11.314 1.00 0.00 H new ATOM 0 HB2 HIS A 126 10.195 -24.622 -12.707 1.00 0.00 H new ATOM 0 HB3 HIS A 126 9.009 -25.639 -13.500 1.00 0.00 H new ATOM 0 HD2 HIS A 126 8.696 -22.497 -11.026 1.00 0.00 H new ATOM 0 HE1 HIS A 126 5.751 -22.236 -14.061 1.00 0.00 H new ATOM 0 HE2 HIS A 126 6.729 -21.095 -12.012 1.00 0.00 H new ATOM 1921 N HIS A 127 9.807 -28.207 -11.933 1.00 0.00 N ATOM 1922 CA HIS A 127 10.708 -29.394 -11.890 1.00 0.00 C ATOM 1923 C HIS A 127 10.614 -30.264 -13.175 1.00 0.00 C ATOM 1924 O HIS A 127 11.627 -30.454 -13.862 1.00 0.00 O ATOM 1925 CB HIS A 127 10.386 -30.246 -10.627 1.00 0.00 C ATOM 1926 CG HIS A 127 11.226 -31.491 -10.469 1.00 0.00 C ATOM 1927 ND1 HIS A 127 10.687 -32.755 -10.356 1.00 0.00 N ATOM 1928 CD2 HIS A 127 12.569 -31.660 -10.400 1.00 0.00 C ATOM 1929 CE1 HIS A 127 11.655 -33.638 -10.228 1.00 0.00 C ATOM 1930 NE2 HIS A 127 12.805 -33.003 -10.253 1.00 0.00 N ATOM 0 H HIS A 127 8.918 -28.376 -12.404 1.00 0.00 H new ATOM 0 HA HIS A 127 11.734 -29.029 -11.838 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.517 -29.622 -9.743 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.336 -30.536 -10.660 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.315 -30.881 -10.451 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.526 -34.705 -10.121 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.724 -33.438 -10.176 1.00 0.00 H new ATOM 1939 N HIS A 128 9.393 -30.785 -13.465 1.00 0.00 N ATOM 1940 CA HIS A 128 9.134 -31.835 -14.503 1.00 0.00 C ATOM 1941 C HIS A 128 9.699 -33.224 -14.090 1.00 0.00 C ATOM 1942 O HIS A 128 10.700 -33.322 -13.376 1.00 0.00 O ATOM 1943 CB HIS A 128 9.639 -31.436 -15.930 1.00 0.00 C ATOM 1944 CG HIS A 128 8.752 -30.469 -16.664 1.00 0.00 C ATOM 1945 ND1 HIS A 128 8.744 -29.113 -16.428 1.00 0.00 N ATOM 1946 CD2 HIS A 128 7.849 -30.678 -17.655 1.00 0.00 C ATOM 1947 CE1 HIS A 128 7.876 -28.532 -17.230 1.00 0.00 C ATOM 1948 NE2 HIS A 128 7.320 -29.455 -17.985 1.00 0.00 N ATOM 0 H HIS A 128 8.545 -30.488 -12.982 1.00 0.00 H new ATOM 0 HA HIS A 128 8.048 -31.914 -14.562 1.00 0.00 H new ATOM 0 HB2 HIS A 128 10.633 -30.999 -15.839 1.00 0.00 H new ATOM 0 HB3 HIS A 128 9.742 -32.340 -16.530 1.00 0.00 H new ATOM 0 HD2 HIS A 128 7.594 -31.628 -18.101 1.00 0.00 H new ATOM 0 HE1 HIS A 128 7.657 -27.475 -17.263 1.00 0.00 H new ATOM 0 HE2 HIS A 128 6.611 -29.289 -18.699 1.00 0.00 H new ATOM 1957 N HIS A 129 9.025 -34.292 -14.551 1.00 0.00 N ATOM 1958 CA HIS A 129 9.453 -35.691 -14.320 1.00 0.00 C ATOM 1959 C HIS A 129 10.196 -36.231 -15.564 1.00 0.00 C ATOM 1960 O HIS A 129 9.667 -36.181 -16.679 1.00 0.00 O ATOM 1961 CB HIS A 129 8.221 -36.580 -13.982 1.00 0.00 C ATOM 1962 CG HIS A 129 8.563 -38.012 -13.656 1.00 0.00 C ATOM 1963 ND1 HIS A 129 9.484 -38.359 -12.691 1.00 0.00 N ATOM 1964 CD2 HIS A 129 8.111 -39.182 -14.170 1.00 0.00 C ATOM 1965 CE1 HIS A 129 9.589 -39.667 -12.626 1.00 0.00 C ATOM 1966 NE2 HIS A 129 8.770 -40.189 -13.510 1.00 0.00 N ATOM 0 H HIS A 129 8.166 -34.214 -15.096 1.00 0.00 H new ATOM 0 HA HIS A 129 10.137 -35.719 -13.472 1.00 0.00 H new ATOM 0 HB2 HIS A 129 7.693 -36.142 -13.135 1.00 0.00 H new ATOM 0 HB3 HIS A 129 7.534 -36.566 -14.828 1.00 0.00 H new ATOM 0 HD2 HIS A 129 7.373 -39.299 -14.950 1.00 0.00 H new ATOM 0 HE1 HIS A 129 10.237 -40.218 -11.960 1.00 0.00 H new ATOM 0 HE2 HIS A 129 8.643 -41.187 -13.680 1.00 0.00 H new ATOM 1975 N HIS A 130 11.424 -36.740 -15.357 1.00 0.00 N ATOM 1976 CA HIS A 130 12.256 -37.328 -16.434 1.00 0.00 C ATOM 1977 C HIS A 130 11.652 -38.687 -16.930 1.00 0.00 C ATOM 1978 O HIS A 130 11.666 -39.673 -16.161 1.00 0.00 O ATOM 1979 CB HIS A 130 13.722 -37.504 -15.931 1.00 0.00 C ATOM 1980 CG HIS A 130 14.686 -38.032 -16.968 1.00 0.00 C ATOM 1981 ND1 HIS A 130 15.407 -37.213 -17.810 1.00 0.00 N ATOM 1982 CD2 HIS A 130 15.043 -39.301 -17.299 1.00 0.00 C ATOM 1983 CE1 HIS A 130 16.152 -37.946 -18.611 1.00 0.00 C ATOM 1984 NE2 HIS A 130 15.954 -39.214 -18.324 1.00 0.00 N ATOM 1985 OXT HIS A 130 11.173 -38.756 -18.088 1.00 0.00 O ATOM 0 H HIS A 130 11.871 -36.757 -14.441 1.00 0.00 H new ATOM 0 HA HIS A 130 12.264 -36.649 -17.287 1.00 0.00 H new ATOM 0 HB2 HIS A 130 14.087 -36.541 -15.572 1.00 0.00 H new ATOM 0 HB3 HIS A 130 13.720 -38.182 -15.078 1.00 0.00 H new ATOM 0 HD2 HIS A 130 14.678 -40.209 -16.841 1.00 0.00 H new ATOM 0 HE1 HIS A 130 16.815 -37.569 -19.376 1.00 0.00 H new ATOM 0 HE2 HIS A 130 16.403 -40.004 -18.787 1.00 0.00 H new TER 1994 HIS A 130