USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1081 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -179:sc= 0.927 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 24 GLN : amide:sc= -0.299 K(o=-0.3,f=-3.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -37:sc= 0.0426! USER MOD Single : A 29 THR OG1 : rot 100:sc= -2.2 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0859) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 109:sc= 1.26 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 101:sc= 1.18 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.52) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00593 USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00502 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.0435 K(o=-0.044,f=-0.62) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.98! C(o=-2!,f=-5.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.2!) USER MOD Single : A 101 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.26) USER MOD Single : A 111 SER OG : rot 160:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -159:sc= -2 USER MOD Single : A 124 MET CE :methyl -127:sc= -7.43! (180deg=-12!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot -18:sc= 0.578 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -20.138 21.816 3.890 1.00 5.92 N ATOM 2 CA GLU A 1 -20.079 20.349 4.147 1.00 4.62 C ATOM 3 C GLU A 1 -21.497 19.779 4.177 1.00 4.77 C ATOM 4 O GLU A 1 -22.000 19.394 5.215 1.00 4.13 O ATOM 5 CB GLU A 1 -19.398 20.094 5.493 1.00 3.75 C ATOM 6 CG GLU A 1 -18.682 18.742 5.454 1.00 2.36 C ATOM 7 CD GLU A 1 -18.698 18.114 6.850 1.00 1.99 C ATOM 8 OE1 GLU A 1 -19.780 17.913 7.376 1.00 2.44 O ATOM 9 OE2 GLU A 1 -17.627 17.846 7.369 1.00 2.59 O ATOM 0 H1 GLU A 1 -19.173 22.204 3.870 1.00 5.92 H new ATOM 0 H2 GLU A 1 -20.601 21.990 2.975 1.00 5.92 H new ATOM 0 H3 GLU A 1 -20.681 22.279 4.646 1.00 5.92 H new ATOM 0 HA GLU A 1 -19.510 19.864 3.354 1.00 4.62 H new ATOM 0 HB2 GLU A 1 -18.684 20.889 5.708 1.00 3.75 H new ATOM 0 HB3 GLU A 1 -20.137 20.103 6.294 1.00 3.75 H new ATOM 0 HG2 GLU A 1 -19.172 18.080 4.740 1.00 2.36 H new ATOM 0 HG3 GLU A 1 -17.655 18.873 5.114 1.00 2.36 H new ATOM 18 N ALA A 2 -22.148 19.721 3.048 1.00 5.91 N ATOM 19 CA ALA A 2 -23.533 19.177 3.012 1.00 6.40 C ATOM 20 C ALA A 2 -23.824 18.608 1.622 1.00 7.37 C ATOM 21 O ALA A 2 -24.939 18.654 1.141 1.00 8.55 O ATOM 22 CB ALA A 2 -24.528 20.297 3.322 1.00 7.29 C ATOM 0 H ALA A 2 -21.779 20.028 2.148 1.00 5.91 H new ATOM 0 HA ALA A 2 -23.631 18.386 3.755 1.00 6.40 H new ATOM 0 HB1 ALA A 2 -25.543 19.900 3.296 1.00 7.29 H new ATOM 0 HB2 ALA A 2 -24.322 20.702 4.313 1.00 7.29 H new ATOM 0 HB3 ALA A 2 -24.429 21.088 2.579 1.00 7.29 H new ATOM 28 N GLU A 3 -22.828 18.071 0.970 1.00 7.06 N ATOM 29 CA GLU A 3 -23.050 17.502 -0.390 1.00 8.11 C ATOM 30 C GLU A 3 -23.250 15.988 -0.285 1.00 7.14 C ATOM 31 O GLU A 3 -24.093 15.415 -0.948 1.00 7.32 O ATOM 32 CB GLU A 3 -21.832 17.794 -1.267 1.00 8.79 C ATOM 33 CG GLU A 3 -22.231 17.717 -2.741 1.00 10.14 C ATOM 34 CD GLU A 3 -22.324 19.131 -3.320 1.00 11.49 C ATOM 35 OE1 GLU A 3 -22.652 20.036 -2.570 1.00 11.45 O ATOM 36 OE2 GLU A 3 -22.066 19.283 -4.503 1.00 12.63 O ATOM 0 H GLU A 3 -21.872 18.002 1.320 1.00 7.06 H new ATOM 0 HA GLU A 3 -23.937 17.955 -0.833 1.00 8.11 H new ATOM 0 HB2 GLU A 3 -21.435 18.783 -1.038 1.00 8.79 H new ATOM 0 HB3 GLU A 3 -21.039 17.076 -1.056 1.00 8.79 H new ATOM 0 HG2 GLU A 3 -21.498 17.133 -3.297 1.00 10.14 H new ATOM 0 HG3 GLU A 3 -23.189 17.207 -2.843 1.00 10.14 H new ATOM 43 N ALA A 4 -22.481 15.335 0.543 1.00 6.24 N ATOM 44 CA ALA A 4 -22.627 13.860 0.690 1.00 5.29 C ATOM 45 C ALA A 4 -22.181 13.445 2.094 1.00 4.57 C ATOM 46 O ALA A 4 -22.116 14.255 2.998 1.00 5.30 O ATOM 47 CB ALA A 4 -21.754 13.157 -0.353 1.00 5.38 C ATOM 0 H ALA A 4 -21.758 15.760 1.124 1.00 6.24 H new ATOM 0 HA ALA A 4 -23.669 13.578 0.541 1.00 5.29 H new ATOM 0 HB1 ALA A 4 -21.859 12.077 -0.247 1.00 5.38 H new ATOM 0 HB2 ALA A 4 -22.069 13.456 -1.353 1.00 5.38 H new ATOM 0 HB3 ALA A 4 -20.711 13.436 -0.203 1.00 5.38 H new ATOM 53 N HIS A 5 -21.871 12.191 2.286 1.00 3.52 N ATOM 54 CA HIS A 5 -21.426 11.733 3.632 1.00 3.48 C ATOM 55 C HIS A 5 -19.897 11.750 3.690 1.00 3.46 C ATOM 56 O HIS A 5 -19.300 12.659 4.234 1.00 4.08 O ATOM 57 CB HIS A 5 -21.934 10.310 3.882 1.00 2.99 C ATOM 58 CG HIS A 5 -23.423 10.340 4.096 1.00 3.76 C ATOM 59 ND1 HIS A 5 -23.985 10.521 5.350 1.00 4.81 N ATOM 60 CD2 HIS A 5 -24.479 10.215 3.227 1.00 3.91 C ATOM 61 CE1 HIS A 5 -25.322 10.501 5.202 1.00 5.26 C ATOM 62 NE2 HIS A 5 -25.677 10.316 3.927 1.00 4.74 N ATOM 0 H HIS A 5 -21.907 11.466 1.570 1.00 3.52 H new ATOM 0 HA HIS A 5 -21.828 12.398 4.397 1.00 3.48 H new ATOM 0 HB2 HIS A 5 -21.691 9.671 3.033 1.00 2.99 H new ATOM 0 HB3 HIS A 5 -21.439 9.884 4.754 1.00 2.99 H new ATOM 0 HD2 HIS A 5 -24.393 10.062 2.161 1.00 3.91 H new ATOM 0 HE1 HIS A 5 -26.023 10.620 6.015 1.00 5.26 H new ATOM 0 HE2 HIS A 5 -26.623 10.261 3.549 1.00 4.74 H new ATOM 70 N LYS A 6 -19.257 10.758 3.132 1.00 2.88 N ATOM 71 CA LYS A 6 -17.768 10.724 3.155 1.00 2.89 C ATOM 72 C LYS A 6 -17.270 9.502 2.384 1.00 2.30 C ATOM 73 O LYS A 6 -17.149 8.422 2.926 1.00 2.04 O ATOM 74 CB LYS A 6 -17.280 10.637 4.598 1.00 3.14 C ATOM 75 CG LYS A 6 -15.878 11.241 4.701 1.00 3.91 C ATOM 76 CD LYS A 6 -15.763 12.044 5.997 1.00 4.92 C ATOM 77 CE LYS A 6 -14.397 11.793 6.637 1.00 5.98 C ATOM 78 NZ LYS A 6 -14.556 10.871 7.797 1.00 6.13 N ATOM 0 H LYS A 6 -19.702 9.970 2.661 1.00 2.88 H new ATOM 0 HA LYS A 6 -17.383 11.632 2.691 1.00 2.89 H new ATOM 0 HB2 LYS A 6 -17.966 11.169 5.257 1.00 3.14 H new ATOM 0 HB3 LYS A 6 -17.264 9.598 4.926 1.00 3.14 H new ATOM 0 HG2 LYS A 6 -15.128 10.451 4.683 1.00 3.91 H new ATOM 0 HG3 LYS A 6 -15.684 11.885 3.843 1.00 3.91 H new ATOM 0 HD2 LYS A 6 -15.889 13.107 5.790 1.00 4.92 H new ATOM 0 HD3 LYS A 6 -16.557 11.757 6.686 1.00 4.92 H new ATOM 0 HE2 LYS A 6 -13.714 11.361 5.906 1.00 5.98 H new ATOM 0 HE3 LYS A 6 -13.958 12.735 6.965 1.00 5.98 H new ATOM 0 HZ1 LYS A 6 -13.628 10.699 8.234 1.00 6.13 H new ATOM 0 HZ2 LYS A 6 -15.194 11.301 8.497 1.00 6.13 H new ATOM 0 HZ3 LYS A 6 -14.958 9.969 7.471 1.00 6.13 H new ATOM 92 N CYS A 7 -16.976 9.664 1.126 1.00 2.36 N ATOM 93 CA CYS A 7 -16.481 8.508 0.325 1.00 1.81 C ATOM 94 C CYS A 7 -15.604 9.013 -0.822 1.00 1.38 C ATOM 95 O CYS A 7 -14.408 8.839 -0.819 1.00 1.46 O ATOM 96 CB CYS A 7 -17.670 7.733 -0.244 1.00 2.21 C ATOM 97 SG CYS A 7 -17.070 6.446 -1.365 1.00 1.42 S ATOM 0 H CYS A 7 -17.056 10.544 0.617 1.00 2.36 H new ATOM 0 HA CYS A 7 -15.893 7.851 0.966 1.00 1.81 H new ATOM 0 HB2 CYS A 7 -18.247 7.285 0.565 1.00 2.21 H new ATOM 0 HB3 CYS A 7 -18.339 8.410 -0.775 1.00 2.21 H new ATOM 102 N ASP A 8 -16.186 9.635 -1.804 1.00 1.52 N ATOM 103 CA ASP A 8 -15.373 10.142 -2.946 1.00 1.48 C ATOM 104 C ASP A 8 -14.256 11.063 -2.438 1.00 1.21 C ATOM 105 O ASP A 8 -13.259 11.268 -3.101 1.00 1.34 O ATOM 106 CB ASP A 8 -16.275 10.932 -3.890 1.00 2.27 C ATOM 107 CG ASP A 8 -15.777 12.375 -3.980 1.00 2.75 C ATOM 108 OD1 ASP A 8 -16.008 13.119 -3.040 1.00 2.94 O ATOM 109 OD2 ASP A 8 -15.171 12.711 -4.985 1.00 3.69 O ATOM 0 H ASP A 8 -17.188 9.816 -1.868 1.00 1.52 H new ATOM 0 HA ASP A 8 -14.928 9.295 -3.467 1.00 1.48 H new ATOM 0 HB2 ASP A 8 -16.275 10.474 -4.879 1.00 2.27 H new ATOM 0 HB3 ASP A 8 -17.303 10.912 -3.529 1.00 2.27 H new ATOM 114 N ILE A 9 -14.424 11.641 -1.283 1.00 0.98 N ATOM 115 CA ILE A 9 -13.384 12.570 -0.753 1.00 0.92 C ATOM 116 C ILE A 9 -12.116 11.807 -0.332 1.00 0.91 C ATOM 117 O ILE A 9 -11.148 11.747 -1.065 1.00 0.88 O ATOM 118 CB ILE A 9 -13.954 13.325 0.447 1.00 0.72 C ATOM 119 CG1 ILE A 9 -15.011 14.319 -0.038 1.00 1.08 C ATOM 120 CG2 ILE A 9 -12.829 14.080 1.159 1.00 0.93 C ATOM 121 CD1 ILE A 9 -15.704 14.957 1.166 1.00 1.40 C ATOM 0 H ILE A 9 -15.237 11.511 -0.681 1.00 0.98 H new ATOM 0 HA ILE A 9 -13.108 13.270 -1.542 1.00 0.92 H new ATOM 0 HB ILE A 9 -14.408 12.618 1.141 1.00 0.72 H new ATOM 0 HG12 ILE A 9 -14.546 15.089 -0.653 1.00 1.08 H new ATOM 0 HG13 ILE A 9 -15.743 13.810 -0.665 1.00 1.08 H new ATOM 0 HG21 ILE A 9 -13.237 14.618 2.015 1.00 0.93 H new ATOM 0 HG22 ILE A 9 -12.075 13.371 1.502 1.00 0.93 H new ATOM 0 HG23 ILE A 9 -12.373 14.789 0.468 1.00 0.93 H new ATOM 0 HD11 ILE A 9 -16.457 15.665 0.819 1.00 1.40 H new ATOM 0 HD12 ILE A 9 -16.183 14.181 1.763 1.00 1.40 H new ATOM 0 HD13 ILE A 9 -14.967 15.480 1.775 1.00 1.40 H new ATOM 133 N THR A 10 -12.100 11.252 0.853 1.00 1.01 N ATOM 134 CA THR A 10 -10.881 10.531 1.332 1.00 1.02 C ATOM 135 C THR A 10 -10.591 9.294 0.477 1.00 0.86 C ATOM 136 O THR A 10 -9.452 8.946 0.252 1.00 0.70 O ATOM 137 CB THR A 10 -11.090 10.093 2.783 1.00 1.21 C ATOM 138 OG1 THR A 10 -11.303 11.240 3.594 1.00 1.47 O ATOM 139 CG2 THR A 10 -9.854 9.337 3.276 1.00 1.14 C ATOM 0 H THR A 10 -12.879 11.267 1.511 1.00 1.01 H new ATOM 0 HA THR A 10 -10.033 11.211 1.255 1.00 1.02 H new ATOM 0 HB THR A 10 -11.959 9.437 2.844 1.00 1.21 H new ATOM 0 HG1 THR A 10 -11.439 10.962 4.524 1.00 1.47 H new ATOM 0 HG21 THR A 10 -10.006 9.026 4.310 1.00 1.14 H new ATOM 0 HG22 THR A 10 -9.693 8.457 2.653 1.00 1.14 H new ATOM 0 HG23 THR A 10 -8.982 9.988 3.217 1.00 1.14 H new ATOM 147 N LEU A 11 -11.602 8.609 0.026 1.00 0.94 N ATOM 148 CA LEU A 11 -11.361 7.377 -0.786 1.00 0.87 C ATOM 149 C LEU A 11 -10.646 7.716 -2.099 1.00 0.60 C ATOM 150 O LEU A 11 -9.628 7.136 -2.419 1.00 0.62 O ATOM 151 CB LEU A 11 -12.693 6.684 -1.094 1.00 1.13 C ATOM 152 CG LEU A 11 -12.421 5.279 -1.638 1.00 1.45 C ATOM 153 CD1 LEU A 11 -11.663 4.453 -0.593 1.00 1.08 C ATOM 154 CD2 LEU A 11 -13.747 4.588 -1.961 1.00 1.86 C ATOM 0 H LEU A 11 -12.582 8.844 0.181 1.00 0.94 H new ATOM 0 HA LEU A 11 -10.725 6.708 -0.206 1.00 0.87 H new ATOM 0 HB2 LEU A 11 -13.302 6.625 -0.192 1.00 1.13 H new ATOM 0 HB3 LEU A 11 -13.258 7.265 -1.823 1.00 1.13 H new ATOM 0 HG LEU A 11 -11.819 5.359 -2.543 1.00 1.45 H new ATOM 0 HD11 LEU A 11 -11.473 3.455 -0.987 1.00 1.08 H new ATOM 0 HD12 LEU A 11 -10.715 4.939 -0.363 1.00 1.08 H new ATOM 0 HD13 LEU A 11 -12.262 4.377 0.315 1.00 1.08 H new ATOM 0 HD21 LEU A 11 -13.551 3.588 -2.348 1.00 1.86 H new ATOM 0 HD22 LEU A 11 -14.349 4.515 -1.055 1.00 1.86 H new ATOM 0 HD23 LEU A 11 -14.286 5.168 -2.710 1.00 1.86 H new ATOM 166 N GLN A 12 -11.164 8.635 -2.874 1.00 0.50 N ATOM 167 CA GLN A 12 -10.488 8.970 -4.164 1.00 0.29 C ATOM 168 C GLN A 12 -9.066 9.460 -3.879 1.00 0.22 C ATOM 169 O GLN A 12 -8.140 9.161 -4.607 1.00 0.15 O ATOM 170 CB GLN A 12 -11.283 10.050 -4.911 1.00 0.55 C ATOM 171 CG GLN A 12 -10.775 11.442 -4.531 1.00 0.96 C ATOM 172 CD GLN A 12 -11.711 12.501 -5.118 1.00 1.20 C ATOM 173 OE1 GLN A 12 -12.780 12.183 -5.601 1.00 0.70 O ATOM 174 NE2 GLN A 12 -11.352 13.755 -5.099 1.00 2.19 N ATOM 0 H GLN A 12 -12.014 9.162 -2.673 1.00 0.50 H new ATOM 0 HA GLN A 12 -10.442 8.079 -4.791 1.00 0.29 H new ATOM 0 HB2 GLN A 12 -11.188 9.902 -5.987 1.00 0.55 H new ATOM 0 HB3 GLN A 12 -12.342 9.964 -4.669 1.00 0.55 H new ATOM 0 HG2 GLN A 12 -10.730 11.541 -3.446 1.00 0.96 H new ATOM 0 HG3 GLN A 12 -9.762 11.587 -4.907 1.00 0.96 H new ATOM 0 HE21 GLN A 12 -10.455 14.023 -4.694 1.00 2.19 H new ATOM 0 HE22 GLN A 12 -11.968 14.468 -5.489 1.00 2.19 H new ATOM 183 N GLU A 13 -8.880 10.199 -2.820 1.00 0.26 N ATOM 184 CA GLU A 13 -7.511 10.687 -2.490 1.00 0.23 C ATOM 185 C GLU A 13 -6.616 9.480 -2.189 1.00 0.22 C ATOM 186 O GLU A 13 -5.431 9.485 -2.462 1.00 0.22 O ATOM 187 CB GLU A 13 -7.577 11.594 -1.262 1.00 0.26 C ATOM 188 CG GLU A 13 -7.323 13.043 -1.682 1.00 0.67 C ATOM 189 CD GLU A 13 -8.366 13.953 -1.029 1.00 1.67 C ATOM 190 OE1 GLU A 13 -9.529 13.828 -1.374 1.00 2.82 O ATOM 191 OE2 GLU A 13 -7.983 14.757 -0.196 1.00 1.81 O ATOM 0 H GLU A 13 -9.613 10.485 -2.171 1.00 0.26 H new ATOM 0 HA GLU A 13 -7.104 11.250 -3.330 1.00 0.23 H new ATOM 0 HB2 GLU A 13 -8.554 11.508 -0.786 1.00 0.26 H new ATOM 0 HB3 GLU A 13 -6.835 11.282 -0.526 1.00 0.26 H new ATOM 0 HG2 GLU A 13 -6.320 13.349 -1.384 1.00 0.67 H new ATOM 0 HG3 GLU A 13 -7.374 13.133 -2.767 1.00 0.67 H new ATOM 198 N ILE A 14 -7.188 8.443 -1.639 1.00 0.26 N ATOM 199 CA ILE A 14 -6.396 7.223 -1.322 1.00 0.27 C ATOM 200 C ILE A 14 -6.007 6.532 -2.630 1.00 0.24 C ATOM 201 O ILE A 14 -4.958 5.926 -2.737 1.00 0.23 O ATOM 202 CB ILE A 14 -7.250 6.276 -0.466 1.00 0.34 C ATOM 203 CG1 ILE A 14 -6.735 6.289 0.974 1.00 0.38 C ATOM 204 CG2 ILE A 14 -7.173 4.850 -1.022 1.00 0.32 C ATOM 205 CD1 ILE A 14 -7.902 6.055 1.936 1.00 0.47 C ATOM 0 H ILE A 14 -8.177 8.390 -1.395 1.00 0.26 H new ATOM 0 HA ILE A 14 -5.495 7.492 -0.770 1.00 0.27 H new ATOM 0 HB ILE A 14 -8.287 6.612 -0.490 1.00 0.34 H new ATOM 0 HG12 ILE A 14 -5.979 5.515 1.108 1.00 0.38 H new ATOM 0 HG13 ILE A 14 -6.256 7.244 1.192 1.00 0.38 H new ATOM 0 HG21 ILE A 14 -7.782 4.187 -0.408 1.00 0.32 H new ATOM 0 HG22 ILE A 14 -7.544 4.838 -2.047 1.00 0.32 H new ATOM 0 HG23 ILE A 14 -6.138 4.509 -1.007 1.00 0.32 H new ATOM 0 HD11 ILE A 14 -7.535 6.064 2.962 1.00 0.47 H new ATOM 0 HD12 ILE A 14 -8.643 6.844 1.808 1.00 0.47 H new ATOM 0 HD13 ILE A 14 -8.361 5.089 1.723 1.00 0.47 H new ATOM 217 N ILE A 15 -6.843 6.626 -3.628 1.00 0.22 N ATOM 218 CA ILE A 15 -6.526 5.983 -4.935 1.00 0.19 C ATOM 219 C ILE A 15 -5.323 6.692 -5.556 1.00 0.12 C ATOM 220 O ILE A 15 -4.445 6.071 -6.126 1.00 0.12 O ATOM 221 CB ILE A 15 -7.731 6.112 -5.868 1.00 0.24 C ATOM 222 CG1 ILE A 15 -8.723 4.977 -5.594 1.00 0.39 C ATOM 223 CG2 ILE A 15 -7.268 6.035 -7.321 1.00 0.12 C ATOM 224 CD1 ILE A 15 -10.073 5.330 -6.221 1.00 0.98 C ATOM 0 H ILE A 15 -7.734 7.122 -3.594 1.00 0.22 H new ATOM 0 HA ILE A 15 -6.296 4.928 -4.785 1.00 0.19 H new ATOM 0 HB ILE A 15 -8.217 7.071 -5.690 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -8.348 4.042 -6.010 1.00 0.39 H new ATOM 0 HG13 ILE A 15 -8.835 4.826 -4.520 1.00 0.39 H new ATOM 0 HG21 ILE A 15 -8.129 6.127 -7.983 1.00 0.12 H new ATOM 0 HG22 ILE A 15 -6.567 6.845 -7.523 1.00 0.12 H new ATOM 0 HG23 ILE A 15 -6.777 5.078 -7.496 1.00 0.12 H new ATOM 0 HD11 ILE A 15 -10.784 4.526 -6.030 1.00 0.98 H new ATOM 0 HD12 ILE A 15 -10.446 6.256 -5.784 1.00 0.98 H new ATOM 0 HD13 ILE A 15 -9.952 5.459 -7.297 1.00 0.98 H new ATOM 236 N LYS A 16 -5.274 7.992 -5.445 1.00 0.22 N ATOM 237 CA LYS A 16 -4.130 8.751 -6.022 1.00 0.32 C ATOM 238 C LYS A 16 -2.850 8.400 -5.262 1.00 0.39 C ATOM 239 O LYS A 16 -1.776 8.347 -5.827 1.00 0.51 O ATOM 240 CB LYS A 16 -4.401 10.253 -5.895 1.00 0.34 C ATOM 241 CG LYS A 16 -4.447 10.883 -7.288 1.00 0.49 C ATOM 242 CD LYS A 16 -5.713 10.426 -8.015 1.00 1.34 C ATOM 243 CE LYS A 16 -6.735 11.564 -8.028 1.00 1.33 C ATOM 244 NZ LYS A 16 -6.414 12.509 -9.137 1.00 1.95 N ATOM 0 H LYS A 16 -5.980 8.562 -4.978 1.00 0.22 H new ATOM 0 HA LYS A 16 -4.012 8.488 -7.073 1.00 0.32 H new ATOM 0 HB2 LYS A 16 -5.345 10.420 -5.377 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -3.622 10.725 -5.297 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -4.434 11.970 -7.207 1.00 0.49 H new ATOM 0 HG3 LYS A 16 -3.564 10.595 -7.858 1.00 0.49 H new ATOM 0 HD2 LYS A 16 -5.471 10.129 -9.035 1.00 1.34 H new ATOM 0 HD3 LYS A 16 -6.134 9.551 -7.519 1.00 1.34 H new ATOM 0 HE2 LYS A 16 -7.740 11.163 -8.157 1.00 1.33 H new ATOM 0 HE3 LYS A 16 -6.722 12.089 -7.073 1.00 1.33 H new ATOM 0 HZ1 LYS A 16 -7.109 13.283 -9.146 1.00 1.95 H new ATOM 0 HZ2 LYS A 16 -5.461 12.901 -8.994 1.00 1.95 H new ATOM 0 HZ3 LYS A 16 -6.448 12.003 -10.045 1.00 1.95 H new ATOM 258 N THR A 17 -2.958 8.157 -3.984 1.00 0.42 N ATOM 259 CA THR A 17 -1.746 7.807 -3.189 1.00 0.53 C ATOM 260 C THR A 17 -1.189 6.470 -3.675 1.00 0.38 C ATOM 261 O THR A 17 0.009 6.280 -3.763 1.00 0.42 O ATOM 262 CB THR A 17 -2.121 7.692 -1.708 1.00 0.66 C ATOM 263 OG1 THR A 17 -3.149 8.624 -1.408 1.00 0.91 O ATOM 264 CG2 THR A 17 -0.894 7.987 -0.842 1.00 0.70 C ATOM 0 H THR A 17 -3.831 8.186 -3.457 1.00 0.42 H new ATOM 0 HA THR A 17 -0.993 8.585 -3.314 1.00 0.53 H new ATOM 0 HB THR A 17 -2.473 6.682 -1.501 1.00 0.66 H new ATOM 0 HG1 THR A 17 -3.391 8.550 -0.461 1.00 0.91 H new ATOM 0 HG21 THR A 17 -1.163 7.905 0.211 1.00 0.70 H new ATOM 0 HG22 THR A 17 -0.106 7.270 -1.072 1.00 0.70 H new ATOM 0 HG23 THR A 17 -0.538 8.997 -1.047 1.00 0.70 H new ATOM 272 N LEU A 18 -2.045 5.535 -3.990 1.00 0.25 N ATOM 273 CA LEU A 18 -1.556 4.213 -4.465 1.00 0.17 C ATOM 274 C LEU A 18 -0.774 4.395 -5.767 1.00 0.12 C ATOM 275 O LEU A 18 0.341 3.938 -5.898 1.00 0.32 O ATOM 276 CB LEU A 18 -2.740 3.278 -4.718 1.00 0.27 C ATOM 277 CG LEU A 18 -2.346 1.836 -4.372 1.00 0.35 C ATOM 278 CD1 LEU A 18 -3.310 0.869 -5.058 1.00 1.13 C ATOM 279 CD2 LEU A 18 -0.921 1.548 -4.858 1.00 1.41 C ATOM 0 H LEU A 18 -3.059 5.631 -3.938 1.00 0.25 H new ATOM 0 HA LEU A 18 -0.909 3.779 -3.702 1.00 0.17 H new ATOM 0 HB2 LEU A 18 -3.594 3.586 -4.115 1.00 0.27 H new ATOM 0 HB3 LEU A 18 -3.048 3.340 -5.762 1.00 0.27 H new ATOM 0 HG LEU A 18 -2.392 1.706 -3.291 1.00 0.35 H new ATOM 0 HD11 LEU A 18 -3.032 -0.156 -4.814 1.00 1.13 H new ATOM 0 HD12 LEU A 18 -4.326 1.062 -4.713 1.00 1.13 H new ATOM 0 HD13 LEU A 18 -3.261 1.011 -6.138 1.00 1.13 H new ATOM 0 HD21 LEU A 18 -0.651 0.522 -4.607 1.00 1.41 H new ATOM 0 HD22 LEU A 18 -0.871 1.683 -5.938 1.00 1.41 H new ATOM 0 HD23 LEU A 18 -0.226 2.234 -4.374 1.00 1.41 H new ATOM 291 N ASN A 19 -1.359 5.053 -6.732 1.00 0.07 N ATOM 292 CA ASN A 19 -0.665 5.264 -8.036 1.00 0.11 C ATOM 293 C ASN A 19 0.725 5.863 -7.801 1.00 0.12 C ATOM 294 O ASN A 19 1.691 5.474 -8.427 1.00 0.24 O ATOM 295 CB ASN A 19 -1.493 6.221 -8.893 1.00 0.35 C ATOM 296 CG ASN A 19 -0.715 6.587 -10.158 1.00 1.21 C ATOM 297 OD1 ASN A 19 -0.377 5.728 -10.947 1.00 1.19 O ATOM 298 ND2 ASN A 19 -0.416 7.837 -10.385 1.00 2.43 N ATOM 0 H ASN A 19 -2.294 5.456 -6.673 1.00 0.07 H new ATOM 0 HA ASN A 19 -0.556 4.307 -8.546 1.00 0.11 H new ATOM 0 HB2 ASN A 19 -2.442 5.756 -9.160 1.00 0.35 H new ATOM 0 HB3 ASN A 19 -1.728 7.122 -8.326 1.00 0.35 H new ATOM 0 HD21 ASN A 19 0.102 8.093 -11.226 1.00 2.43 H new ATOM 0 HD22 ASN A 19 -0.700 8.558 -9.722 1.00 2.43 H new ATOM 305 N SER A 20 0.831 6.810 -6.912 1.00 0.09 N ATOM 306 CA SER A 20 2.156 7.438 -6.642 1.00 0.19 C ATOM 307 C SER A 20 3.157 6.371 -6.186 1.00 0.23 C ATOM 308 O SER A 20 4.295 6.353 -6.612 1.00 0.33 O ATOM 309 CB SER A 20 1.999 8.490 -5.544 1.00 0.26 C ATOM 310 OG SER A 20 3.207 9.228 -5.423 1.00 1.42 O ATOM 0 H SER A 20 0.057 7.178 -6.359 1.00 0.09 H new ATOM 0 HA SER A 20 2.525 7.907 -7.554 1.00 0.19 H new ATOM 0 HB2 SER A 20 1.173 9.160 -5.782 1.00 0.26 H new ATOM 0 HB3 SER A 20 1.757 8.009 -4.596 1.00 0.26 H new ATOM 0 HG SER A 20 3.112 9.897 -4.713 1.00 1.42 H new ATOM 316 N LEU A 21 2.746 5.488 -5.315 1.00 0.25 N ATOM 317 CA LEU A 21 3.677 4.430 -4.821 1.00 0.33 C ATOM 318 C LEU A 21 3.908 3.364 -5.903 1.00 0.58 C ATOM 319 O LEU A 21 4.856 2.607 -5.840 1.00 0.72 O ATOM 320 CB LEU A 21 3.080 3.767 -3.576 1.00 0.39 C ATOM 321 CG LEU A 21 2.848 4.827 -2.498 1.00 0.54 C ATOM 322 CD1 LEU A 21 1.890 4.278 -1.439 1.00 0.65 C ATOM 323 CD2 LEU A 21 4.183 5.187 -1.844 1.00 0.88 C ATOM 0 H LEU A 21 1.805 5.453 -4.924 1.00 0.25 H new ATOM 0 HA LEU A 21 4.633 4.893 -4.575 1.00 0.33 H new ATOM 0 HB2 LEU A 21 2.140 3.276 -3.827 1.00 0.39 H new ATOM 0 HB3 LEU A 21 3.753 2.995 -3.203 1.00 0.39 H new ATOM 0 HG LEU A 21 2.413 5.718 -2.951 1.00 0.54 H new ATOM 0 HD11 LEU A 21 1.725 5.034 -0.671 1.00 0.65 H new ATOM 0 HD12 LEU A 21 0.939 4.022 -1.906 1.00 0.65 H new ATOM 0 HD13 LEU A 21 2.322 3.387 -0.984 1.00 0.65 H new ATOM 0 HD21 LEU A 21 4.020 5.942 -1.075 1.00 0.88 H new ATOM 0 HD22 LEU A 21 4.618 4.296 -1.391 1.00 0.88 H new ATOM 0 HD23 LEU A 21 4.864 5.579 -2.599 1.00 0.88 H new ATOM 335 N THR A 22 3.058 3.293 -6.894 1.00 0.64 N ATOM 336 CA THR A 22 3.247 2.273 -7.966 1.00 0.89 C ATOM 337 C THR A 22 4.244 2.783 -9.018 1.00 0.96 C ATOM 338 O THR A 22 4.581 2.078 -9.949 1.00 1.15 O ATOM 339 CB THR A 22 1.899 1.993 -8.637 1.00 1.04 C ATOM 340 OG1 THR A 22 0.852 2.390 -7.767 1.00 1.60 O ATOM 341 CG2 THR A 22 1.773 0.498 -8.938 1.00 1.64 C ATOM 0 H THR A 22 2.243 3.896 -7.007 1.00 0.64 H new ATOM 0 HA THR A 22 3.640 1.358 -7.522 1.00 0.89 H new ATOM 0 HB THR A 22 1.834 2.554 -9.569 1.00 1.04 H new ATOM 0 HG1 THR A 22 -0.012 2.214 -8.194 1.00 1.60 H new ATOM 0 HG21 THR A 22 0.813 0.303 -9.415 1.00 1.64 H new ATOM 0 HG22 THR A 22 2.579 0.192 -9.605 1.00 1.64 H new ATOM 0 HG23 THR A 22 1.838 -0.067 -8.008 1.00 1.64 H new ATOM 349 N GLU A 23 4.722 3.995 -8.887 1.00 0.85 N ATOM 350 CA GLU A 23 5.692 4.524 -9.888 1.00 0.99 C ATOM 351 C GLU A 23 7.087 3.927 -9.646 1.00 0.89 C ATOM 352 O GLU A 23 7.964 4.038 -10.478 1.00 0.66 O ATOM 353 CB GLU A 23 5.762 6.049 -9.769 1.00 1.02 C ATOM 354 CG GLU A 23 4.985 6.696 -10.919 1.00 2.09 C ATOM 355 CD GLU A 23 3.884 7.594 -10.351 1.00 2.86 C ATOM 356 OE1 GLU A 23 4.176 8.742 -10.059 1.00 2.51 O ATOM 357 OE2 GLU A 23 2.768 7.119 -10.220 1.00 3.98 O ATOM 0 H GLU A 23 4.482 4.638 -8.132 1.00 0.85 H new ATOM 0 HA GLU A 23 5.358 4.246 -10.888 1.00 0.99 H new ATOM 0 HB2 GLU A 23 5.347 6.368 -8.813 1.00 1.02 H new ATOM 0 HB3 GLU A 23 6.801 6.377 -9.790 1.00 1.02 H new ATOM 0 HG2 GLU A 23 5.660 7.281 -11.544 1.00 2.09 H new ATOM 0 HG3 GLU A 23 4.549 5.926 -11.555 1.00 2.09 H new ATOM 364 N GLN A 24 7.306 3.293 -8.521 1.00 1.08 N ATOM 365 CA GLN A 24 8.647 2.701 -8.252 1.00 0.99 C ATOM 366 C GLN A 24 8.502 1.194 -8.063 1.00 1.04 C ATOM 367 O GLN A 24 8.526 0.685 -6.959 1.00 1.28 O ATOM 368 CB GLN A 24 9.237 3.313 -6.986 1.00 1.15 C ATOM 369 CG GLN A 24 10.763 3.309 -7.085 1.00 1.18 C ATOM 370 CD GLN A 24 11.211 4.353 -8.109 1.00 1.20 C ATOM 371 OE1 GLN A 24 10.499 5.300 -8.379 1.00 1.96 O ATOM 372 NE2 GLN A 24 12.368 4.217 -8.696 1.00 1.93 N ATOM 0 H GLN A 24 6.616 3.161 -7.782 1.00 1.08 H new ATOM 0 HA GLN A 24 9.308 2.907 -9.094 1.00 0.99 H new ATOM 0 HB2 GLN A 24 8.872 4.332 -6.857 1.00 1.15 H new ATOM 0 HB3 GLN A 24 8.917 2.747 -6.111 1.00 1.15 H new ATOM 0 HG2 GLN A 24 11.202 3.528 -6.111 1.00 1.18 H new ATOM 0 HG3 GLN A 24 11.116 2.321 -7.379 1.00 1.18 H new ATOM 0 HE21 GLN A 24 12.965 3.422 -8.469 1.00 1.93 H new ATOM 0 HE22 GLN A 24 12.676 4.906 -9.382 1.00 1.93 H new ATOM 381 N LYS A 25 8.352 0.480 -9.136 1.00 0.99 N ATOM 382 CA LYS A 25 8.205 -0.999 -9.038 1.00 1.18 C ATOM 383 C LYS A 25 9.352 -1.667 -9.800 1.00 1.04 C ATOM 384 O LYS A 25 9.143 -2.373 -10.767 1.00 1.27 O ATOM 385 CB LYS A 25 6.854 -1.444 -9.632 1.00 1.54 C ATOM 386 CG LYS A 25 6.275 -0.361 -10.555 1.00 1.52 C ATOM 387 CD LYS A 25 7.123 -0.243 -11.825 1.00 2.93 C ATOM 388 CE LYS A 25 7.064 1.194 -12.348 1.00 3.96 C ATOM 389 NZ LYS A 25 6.055 1.292 -13.440 1.00 4.85 N ATOM 0 H LYS A 25 8.324 0.856 -10.084 1.00 0.99 H new ATOM 0 HA LYS A 25 8.236 -1.295 -7.989 1.00 1.18 H new ATOM 0 HB2 LYS A 25 6.986 -2.371 -10.191 1.00 1.54 H new ATOM 0 HB3 LYS A 25 6.150 -1.655 -8.827 1.00 1.54 H new ATOM 0 HG2 LYS A 25 5.246 -0.608 -10.817 1.00 1.52 H new ATOM 0 HG3 LYS A 25 6.251 0.596 -10.034 1.00 1.52 H new ATOM 0 HD2 LYS A 25 8.155 -0.522 -11.613 1.00 2.93 H new ATOM 0 HD3 LYS A 25 6.756 -0.933 -12.585 1.00 2.93 H new ATOM 0 HE2 LYS A 25 6.804 1.875 -11.538 1.00 3.96 H new ATOM 0 HE3 LYS A 25 8.044 1.497 -12.717 1.00 3.96 H new ATOM 0 HZ1 LYS A 25 6.018 2.270 -13.792 1.00 4.85 H new ATOM 0 HZ2 LYS A 25 6.321 0.654 -14.217 1.00 4.85 H new ATOM 0 HZ3 LYS A 25 5.120 1.021 -13.074 1.00 4.85 H new ATOM 403 N THR A 26 10.568 -1.439 -9.380 1.00 0.74 N ATOM 404 CA THR A 26 11.725 -2.051 -10.091 1.00 0.79 C ATOM 405 C THR A 26 12.963 -2.034 -9.189 1.00 0.71 C ATOM 406 O THR A 26 13.603 -3.044 -8.980 1.00 0.95 O ATOM 407 CB THR A 26 12.017 -1.248 -11.363 1.00 0.69 C ATOM 408 OG1 THR A 26 10.793 -0.870 -11.979 1.00 0.79 O ATOM 409 CG2 THR A 26 12.834 -2.102 -12.333 1.00 1.67 C ATOM 0 H THR A 26 10.808 -0.857 -8.578 1.00 0.74 H new ATOM 0 HA THR A 26 11.483 -3.082 -10.348 1.00 0.79 H new ATOM 0 HB THR A 26 12.583 -0.354 -11.103 1.00 0.69 H new ATOM 0 HG1 THR A 26 10.142 -1.596 -11.886 1.00 0.79 H new ATOM 0 HG21 THR A 26 13.041 -1.529 -13.237 1.00 1.67 H new ATOM 0 HG22 THR A 26 13.774 -2.389 -11.862 1.00 1.67 H new ATOM 0 HG23 THR A 26 12.270 -2.998 -12.592 1.00 1.67 H new ATOM 417 N LEU A 27 13.314 -0.891 -8.664 1.00 0.46 N ATOM 418 CA LEU A 27 14.521 -0.812 -7.791 1.00 0.59 C ATOM 419 C LEU A 27 14.139 -1.046 -6.326 1.00 0.61 C ATOM 420 O LEU A 27 14.867 -1.669 -5.580 1.00 0.90 O ATOM 421 CB LEU A 27 15.162 0.573 -7.935 1.00 0.62 C ATOM 422 CG LEU A 27 16.557 0.430 -8.547 1.00 0.97 C ATOM 423 CD1 LEU A 27 16.436 -0.101 -9.977 1.00 1.28 C ATOM 424 CD2 LEU A 27 17.249 1.794 -8.572 1.00 2.08 C ATOM 0 H LEU A 27 12.818 -0.010 -8.801 1.00 0.46 H new ATOM 0 HA LEU A 27 15.228 -1.583 -8.097 1.00 0.59 H new ATOM 0 HB2 LEU A 27 14.540 1.209 -8.565 1.00 0.62 H new ATOM 0 HB3 LEU A 27 15.229 1.057 -6.961 1.00 0.62 H new ATOM 0 HG LEU A 27 17.144 -0.265 -7.947 1.00 0.97 H new ATOM 0 HD11 LEU A 27 17.430 -0.203 -10.413 1.00 1.28 H new ATOM 0 HD12 LEU A 27 15.944 -1.074 -9.964 1.00 1.28 H new ATOM 0 HD13 LEU A 27 15.847 0.595 -10.575 1.00 1.28 H new ATOM 0 HD21 LEU A 27 18.242 1.690 -9.008 1.00 2.08 H new ATOM 0 HD22 LEU A 27 16.661 2.489 -9.171 1.00 2.08 H new ATOM 0 HD23 LEU A 27 17.338 2.176 -7.555 1.00 2.08 H new ATOM 436 N CYS A 28 13.016 -0.540 -5.901 1.00 0.36 N ATOM 437 CA CYS A 28 12.607 -0.725 -4.476 1.00 0.38 C ATOM 438 C CYS A 28 11.760 -1.994 -4.320 1.00 0.35 C ATOM 439 O CYS A 28 11.718 -2.592 -3.263 1.00 0.47 O ATOM 440 CB CYS A 28 11.790 0.487 -4.023 1.00 0.39 C ATOM 441 SG CYS A 28 12.522 1.183 -2.521 1.00 0.48 S ATOM 0 H CYS A 28 12.363 -0.007 -6.475 1.00 0.36 H new ATOM 0 HA CYS A 28 13.503 -0.823 -3.863 1.00 0.38 H new ATOM 0 HB2 CYS A 28 11.768 1.239 -4.812 1.00 0.39 H new ATOM 0 HB3 CYS A 28 10.758 0.193 -3.834 1.00 0.39 H new ATOM 446 N THR A 29 11.073 -2.399 -5.351 1.00 0.26 N ATOM 447 CA THR A 29 10.216 -3.618 -5.245 1.00 0.29 C ATOM 448 C THR A 29 11.019 -4.886 -5.576 1.00 0.43 C ATOM 449 O THR A 29 10.456 -5.948 -5.753 1.00 0.49 O ATOM 450 CB THR A 29 9.044 -3.495 -6.218 1.00 0.18 C ATOM 451 OG1 THR A 29 9.535 -3.167 -7.510 1.00 0.23 O ATOM 452 CG2 THR A 29 8.095 -2.397 -5.735 1.00 0.38 C ATOM 0 H THR A 29 11.066 -1.941 -6.262 1.00 0.26 H new ATOM 0 HA THR A 29 9.851 -3.697 -4.221 1.00 0.29 H new ATOM 0 HB THR A 29 8.507 -4.442 -6.265 1.00 0.18 H new ATOM 0 HG1 THR A 29 9.571 -3.976 -8.062 1.00 0.23 H new ATOM 0 HG21 THR A 29 7.259 -2.308 -6.428 1.00 0.38 H new ATOM 0 HG22 THR A 29 7.719 -2.651 -4.744 1.00 0.38 H new ATOM 0 HG23 THR A 29 8.630 -1.448 -5.688 1.00 0.38 H new ATOM 460 N GLU A 30 12.319 -4.795 -5.672 1.00 0.52 N ATOM 461 CA GLU A 30 13.121 -6.010 -6.002 1.00 0.70 C ATOM 462 C GLU A 30 13.260 -6.927 -4.779 1.00 0.72 C ATOM 463 O GLU A 30 13.850 -7.986 -4.867 1.00 1.01 O ATOM 464 CB GLU A 30 14.512 -5.586 -6.474 1.00 0.72 C ATOM 465 CG GLU A 30 15.237 -4.849 -5.345 1.00 1.58 C ATOM 466 CD GLU A 30 16.568 -5.543 -5.054 1.00 1.91 C ATOM 467 OE1 GLU A 30 17.552 -5.178 -5.676 1.00 2.41 O ATOM 468 OE2 GLU A 30 16.582 -6.428 -4.213 1.00 2.16 O ATOM 0 H GLU A 30 12.857 -3.939 -5.537 1.00 0.52 H new ATOM 0 HA GLU A 30 12.606 -6.559 -6.790 1.00 0.70 H new ATOM 0 HB2 GLU A 30 15.086 -6.461 -6.778 1.00 0.72 H new ATOM 0 HB3 GLU A 30 14.429 -4.940 -7.348 1.00 0.72 H new ATOM 0 HG2 GLU A 30 15.410 -3.811 -5.627 1.00 1.58 H new ATOM 0 HG3 GLU A 30 14.618 -4.837 -4.448 1.00 1.58 H new ATOM 475 N LEU A 31 12.721 -6.557 -3.647 1.00 0.81 N ATOM 476 CA LEU A 31 12.835 -7.443 -2.468 1.00 0.84 C ATOM 477 C LEU A 31 11.672 -8.449 -2.522 1.00 1.02 C ATOM 478 O LEU A 31 11.520 -9.151 -3.501 1.00 2.15 O ATOM 479 CB LEU A 31 12.789 -6.590 -1.193 1.00 0.70 C ATOM 480 CG LEU A 31 13.790 -5.440 -1.305 1.00 0.83 C ATOM 481 CD1 LEU A 31 13.591 -4.482 -0.130 1.00 1.05 C ATOM 482 CD2 LEU A 31 15.215 -5.998 -1.273 1.00 1.48 C ATOM 0 H LEU A 31 12.212 -5.686 -3.495 1.00 0.81 H new ATOM 0 HA LEU A 31 13.778 -7.990 -2.466 1.00 0.84 H new ATOM 0 HB2 LEU A 31 11.784 -6.196 -1.044 1.00 0.70 H new ATOM 0 HB3 LEU A 31 13.023 -7.205 -0.324 1.00 0.70 H new ATOM 0 HG LEU A 31 13.631 -4.907 -2.243 1.00 0.83 H new ATOM 0 HD11 LEU A 31 14.303 -3.660 -0.206 1.00 1.05 H new ATOM 0 HD12 LEU A 31 12.576 -4.086 -0.152 1.00 1.05 H new ATOM 0 HD13 LEU A 31 13.752 -5.016 0.806 1.00 1.05 H new ATOM 0 HD21 LEU A 31 15.929 -5.178 -1.353 1.00 1.48 H new ATOM 0 HD22 LEU A 31 15.377 -6.530 -0.335 1.00 1.48 H new ATOM 0 HD23 LEU A 31 15.356 -6.684 -2.108 1.00 1.48 H new ATOM 494 N THR A 32 10.845 -8.521 -1.510 1.00 0.67 N ATOM 495 CA THR A 32 9.698 -9.477 -1.538 1.00 0.64 C ATOM 496 C THR A 32 8.739 -9.124 -0.400 1.00 0.63 C ATOM 497 O THR A 32 9.066 -8.342 0.471 1.00 1.05 O ATOM 498 CB THR A 32 10.210 -10.911 -1.348 1.00 0.63 C ATOM 499 OG1 THR A 32 11.387 -10.891 -0.553 1.00 0.66 O ATOM 500 CG2 THR A 32 10.522 -11.531 -2.712 1.00 0.58 C ATOM 0 H THR A 32 10.916 -7.957 -0.663 1.00 0.67 H new ATOM 0 HA THR A 32 9.185 -9.408 -2.497 1.00 0.64 H new ATOM 0 HB THR A 32 9.445 -11.506 -0.849 1.00 0.63 H new ATOM 0 HG1 THR A 32 11.714 -11.807 -0.430 1.00 0.66 H new ATOM 0 HG21 THR A 32 10.885 -12.549 -2.574 1.00 0.58 H new ATOM 0 HG22 THR A 32 9.617 -11.548 -3.320 1.00 0.58 H new ATOM 0 HG23 THR A 32 11.286 -10.938 -3.215 1.00 0.58 H new ATOM 508 N VAL A 33 7.562 -9.684 -0.393 1.00 0.21 N ATOM 509 CA VAL A 33 6.600 -9.359 0.699 1.00 0.20 C ATOM 510 C VAL A 33 5.572 -10.483 0.833 1.00 0.17 C ATOM 511 O VAL A 33 5.668 -11.508 0.189 1.00 0.34 O ATOM 512 CB VAL A 33 5.881 -8.051 0.365 1.00 0.26 C ATOM 513 CG1 VAL A 33 6.775 -6.865 0.734 1.00 0.37 C ATOM 514 CG2 VAL A 33 5.577 -8.017 -1.133 1.00 0.64 C ATOM 0 H VAL A 33 7.225 -10.348 -1.090 1.00 0.21 H new ATOM 0 HA VAL A 33 7.142 -9.252 1.639 1.00 0.20 H new ATOM 0 HB VAL A 33 4.951 -7.988 0.930 1.00 0.26 H new ATOM 0 HG11 VAL A 33 6.261 -5.934 0.495 1.00 0.37 H new ATOM 0 HG12 VAL A 33 6.996 -6.894 1.801 1.00 0.37 H new ATOM 0 HG13 VAL A 33 7.705 -6.921 0.169 1.00 0.37 H new ATOM 0 HG21 VAL A 33 5.064 -7.087 -1.379 1.00 0.64 H new ATOM 0 HG22 VAL A 33 6.509 -8.077 -1.695 1.00 0.64 H new ATOM 0 HG23 VAL A 33 4.941 -8.862 -1.394 1.00 0.64 H new ATOM 524 N THR A 34 4.590 -10.298 1.673 1.00 0.25 N ATOM 525 CA THR A 34 3.553 -11.351 1.860 1.00 0.30 C ATOM 526 C THR A 34 2.497 -11.242 0.757 1.00 0.26 C ATOM 527 O THR A 34 2.198 -10.169 0.273 1.00 0.22 O ATOM 528 CB THR A 34 2.896 -11.167 3.234 1.00 0.32 C ATOM 529 OG1 THR A 34 2.941 -12.395 3.945 1.00 0.24 O ATOM 530 CG2 THR A 34 1.438 -10.723 3.072 1.00 0.56 C ATOM 0 H THR A 34 4.461 -9.460 2.240 1.00 0.25 H new ATOM 0 HA THR A 34 4.016 -12.336 1.806 1.00 0.30 H new ATOM 0 HB THR A 34 3.438 -10.400 3.786 1.00 0.32 H new ATOM 0 HG1 THR A 34 2.523 -12.280 4.824 1.00 0.24 H new ATOM 0 HG21 THR A 34 0.985 -10.596 4.055 1.00 0.56 H new ATOM 0 HG22 THR A 34 1.404 -9.777 2.532 1.00 0.56 H new ATOM 0 HG23 THR A 34 0.887 -11.480 2.513 1.00 0.56 H new ATOM 538 N ASP A 35 1.922 -12.347 0.368 1.00 0.38 N ATOM 539 CA ASP A 35 0.876 -12.318 -0.691 1.00 0.40 C ATOM 540 C ASP A 35 -0.488 -12.560 -0.045 1.00 0.47 C ATOM 541 O ASP A 35 -0.870 -13.683 0.218 1.00 0.52 O ATOM 542 CB ASP A 35 1.155 -13.414 -1.722 1.00 0.47 C ATOM 543 CG ASP A 35 0.541 -13.016 -3.068 1.00 0.24 C ATOM 544 OD1 ASP A 35 -0.039 -11.946 -3.138 1.00 0.69 O ATOM 545 OD2 ASP A 35 0.661 -13.790 -4.002 1.00 0.87 O ATOM 0 H ASP A 35 2.133 -13.273 0.741 1.00 0.38 H new ATOM 0 HA ASP A 35 0.884 -11.349 -1.190 1.00 0.40 H new ATOM 0 HB2 ASP A 35 2.230 -13.562 -1.830 1.00 0.47 H new ATOM 0 HB3 ASP A 35 0.735 -14.361 -1.384 1.00 0.47 H new ATOM 550 N ILE A 36 -1.222 -11.515 0.221 1.00 0.64 N ATOM 551 CA ILE A 36 -2.558 -11.683 0.859 1.00 0.67 C ATOM 552 C ILE A 36 -3.653 -11.781 -0.212 1.00 0.62 C ATOM 553 O ILE A 36 -4.818 -11.582 0.067 1.00 0.59 O ATOM 554 CB ILE A 36 -2.832 -10.480 1.764 1.00 0.79 C ATOM 555 CG1 ILE A 36 -3.359 -9.318 0.920 1.00 0.81 C ATOM 556 CG2 ILE A 36 -1.533 -10.054 2.454 1.00 0.78 C ATOM 557 CD1 ILE A 36 -3.195 -8.010 1.694 1.00 0.88 C ATOM 0 H ILE A 36 -0.954 -10.551 0.024 1.00 0.64 H new ATOM 0 HA ILE A 36 -2.563 -12.601 1.447 1.00 0.67 H new ATOM 0 HB ILE A 36 -3.573 -10.753 2.515 1.00 0.79 H new ATOM 0 HG12 ILE A 36 -2.816 -9.265 -0.024 1.00 0.81 H new ATOM 0 HG13 ILE A 36 -4.409 -9.479 0.676 1.00 0.81 H new ATOM 0 HG21 ILE A 36 -1.728 -9.197 3.099 1.00 0.78 H new ATOM 0 HG22 ILE A 36 -1.152 -10.880 3.054 1.00 0.78 H new ATOM 0 HG23 ILE A 36 -0.794 -9.781 1.701 1.00 0.78 H new ATOM 0 HD11 ILE A 36 -3.570 -7.182 1.093 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -3.757 -8.066 2.626 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -2.140 -7.848 1.916 1.00 0.88 H new ATOM 569 N PHE A 37 -3.298 -12.090 -1.432 1.00 0.62 N ATOM 570 CA PHE A 37 -4.334 -12.199 -2.499 1.00 0.57 C ATOM 571 C PHE A 37 -4.461 -13.659 -2.938 1.00 0.55 C ATOM 572 O PHE A 37 -5.531 -14.125 -3.274 1.00 1.40 O ATOM 573 CB PHE A 37 -3.929 -11.337 -3.697 1.00 0.62 C ATOM 574 CG PHE A 37 -3.834 -9.895 -3.264 1.00 0.63 C ATOM 575 CD1 PHE A 37 -2.671 -9.426 -2.640 1.00 1.18 C ATOM 576 CD2 PHE A 37 -4.908 -9.025 -3.483 1.00 0.41 C ATOM 577 CE1 PHE A 37 -2.583 -8.090 -2.235 1.00 1.19 C ATOM 578 CE2 PHE A 37 -4.821 -7.689 -3.078 1.00 0.43 C ATOM 579 CZ PHE A 37 -3.659 -7.221 -2.454 1.00 0.67 C ATOM 0 H PHE A 37 -2.340 -12.271 -1.734 1.00 0.62 H new ATOM 0 HA PHE A 37 -5.292 -11.851 -2.112 1.00 0.57 H new ATOM 0 HB2 PHE A 37 -2.971 -11.673 -4.094 1.00 0.62 H new ATOM 0 HB3 PHE A 37 -4.661 -11.441 -4.498 1.00 0.62 H new ATOM 0 HD1 PHE A 37 -1.841 -10.097 -2.471 1.00 1.18 H new ATOM 0 HD2 PHE A 37 -5.805 -9.385 -3.965 1.00 0.41 H new ATOM 0 HE1 PHE A 37 -1.686 -7.729 -1.754 1.00 1.19 H new ATOM 0 HE2 PHE A 37 -5.651 -7.019 -3.247 1.00 0.43 H new ATOM 0 HZ PHE A 37 -3.592 -6.189 -2.141 1.00 0.67 H new ATOM 589 N ALA A 38 -3.376 -14.383 -2.937 1.00 0.97 N ATOM 590 CA ALA A 38 -3.432 -15.811 -3.353 1.00 0.96 C ATOM 591 C ALA A 38 -4.444 -16.561 -2.485 1.00 1.12 C ATOM 592 O ALA A 38 -5.040 -17.531 -2.910 1.00 0.99 O ATOM 593 CB ALA A 38 -2.050 -16.443 -3.183 1.00 1.45 C ATOM 0 H ALA A 38 -2.452 -14.046 -2.666 1.00 0.97 H new ATOM 0 HA ALA A 38 -3.737 -15.872 -4.398 1.00 0.96 H new ATOM 0 HB1 ALA A 38 -2.088 -17.489 -3.487 1.00 1.45 H new ATOM 0 HB2 ALA A 38 -1.328 -15.911 -3.803 1.00 1.45 H new ATOM 0 HB3 ALA A 38 -1.747 -16.380 -2.138 1.00 1.45 H new ATOM 599 N ALA A 39 -4.640 -16.126 -1.270 1.00 1.54 N ATOM 600 CA ALA A 39 -5.611 -16.822 -0.378 1.00 1.93 C ATOM 601 C ALA A 39 -6.825 -15.922 -0.137 1.00 1.66 C ATOM 602 O ALA A 39 -6.810 -15.059 0.719 1.00 1.60 O ATOM 603 CB ALA A 39 -4.937 -17.135 0.960 1.00 2.37 C ATOM 0 H ALA A 39 -4.171 -15.320 -0.857 1.00 1.54 H new ATOM 0 HA ALA A 39 -5.936 -17.749 -0.850 1.00 1.93 H new ATOM 0 HB1 ALA A 39 -5.645 -17.644 1.614 1.00 2.37 H new ATOM 0 HB2 ALA A 39 -4.073 -17.778 0.791 1.00 2.37 H new ATOM 0 HB3 ALA A 39 -4.612 -16.207 1.430 1.00 2.37 H new ATOM 609 N SER A 40 -7.878 -16.119 -0.882 1.00 1.72 N ATOM 610 CA SER A 40 -9.093 -15.275 -0.693 1.00 1.63 C ATOM 611 C SER A 40 -10.341 -16.158 -0.753 1.00 2.02 C ATOM 612 O SER A 40 -10.312 -17.257 -1.271 1.00 3.18 O ATOM 613 CB SER A 40 -9.159 -14.220 -1.798 1.00 1.58 C ATOM 614 OG SER A 40 -9.855 -14.755 -2.915 1.00 2.86 O ATOM 0 H SER A 40 -7.950 -16.827 -1.613 1.00 1.72 H new ATOM 0 HA SER A 40 -9.045 -14.780 0.277 1.00 1.63 H new ATOM 0 HB2 SER A 40 -9.665 -13.326 -1.434 1.00 1.58 H new ATOM 0 HB3 SER A 40 -8.153 -13.920 -2.091 1.00 1.58 H new ATOM 0 HG SER A 40 -9.901 -14.081 -3.625 1.00 2.86 H new ATOM 620 N LYS A 41 -11.440 -15.689 -0.225 1.00 1.10 N ATOM 621 CA LYS A 41 -12.687 -16.504 -0.252 1.00 1.42 C ATOM 622 C LYS A 41 -13.891 -15.610 0.059 1.00 1.29 C ATOM 623 O LYS A 41 -14.903 -15.664 -0.611 1.00 1.50 O ATOM 624 CB LYS A 41 -12.591 -17.614 0.798 1.00 1.49 C ATOM 625 CG LYS A 41 -12.978 -18.952 0.164 1.00 1.78 C ATOM 626 CD LYS A 41 -12.618 -20.091 1.120 1.00 2.39 C ATOM 627 CE LYS A 41 -13.760 -21.109 1.153 1.00 2.61 C ATOM 628 NZ LYS A 41 -13.931 -21.705 -0.202 1.00 2.13 N ATOM 0 H LYS A 41 -11.527 -14.777 0.223 1.00 1.10 H new ATOM 0 HA LYS A 41 -12.811 -16.946 -1.241 1.00 1.42 H new ATOM 0 HB2 LYS A 41 -11.577 -17.667 1.195 1.00 1.49 H new ATOM 0 HB3 LYS A 41 -13.250 -17.393 1.637 1.00 1.49 H new ATOM 0 HG2 LYS A 41 -14.046 -18.969 -0.053 1.00 1.78 H new ATOM 0 HG3 LYS A 41 -12.458 -19.081 -0.785 1.00 1.78 H new ATOM 0 HD2 LYS A 41 -11.696 -20.574 0.797 1.00 2.39 H new ATOM 0 HD3 LYS A 41 -12.438 -19.697 2.120 1.00 2.39 H new ATOM 0 HE2 LYS A 41 -13.544 -21.891 1.882 1.00 2.61 H new ATOM 0 HE3 LYS A 41 -14.684 -20.625 1.469 1.00 2.61 H new ATOM 0 HZ1 LYS A 41 -14.517 -22.562 -0.133 1.00 2.13 H new ATOM 0 HZ2 LYS A 41 -14.396 -21.017 -0.828 1.00 2.13 H new ATOM 0 HZ3 LYS A 41 -12.999 -21.953 -0.592 1.00 2.13 H new ATOM 642 N ASP A 42 -13.793 -14.792 1.070 1.00 1.03 N ATOM 643 CA ASP A 42 -14.935 -13.900 1.421 1.00 1.06 C ATOM 644 C ASP A 42 -14.409 -12.658 2.149 1.00 0.91 C ATOM 645 O ASP A 42 -15.051 -12.124 3.033 1.00 0.93 O ATOM 646 CB ASP A 42 -15.908 -14.657 2.330 1.00 1.16 C ATOM 647 CG ASP A 42 -17.143 -15.066 1.525 1.00 2.14 C ATOM 648 OD1 ASP A 42 -18.029 -14.242 1.379 1.00 2.56 O ATOM 649 OD2 ASP A 42 -17.180 -16.196 1.068 1.00 3.08 O ATOM 0 H ASP A 42 -12.972 -14.702 1.669 1.00 1.03 H new ATOM 0 HA ASP A 42 -15.452 -13.592 0.512 1.00 1.06 H new ATOM 0 HB2 ASP A 42 -15.422 -15.540 2.745 1.00 1.16 H new ATOM 0 HB3 ASP A 42 -16.201 -14.029 3.171 1.00 1.16 H new ATOM 654 N THR A 43 -13.246 -12.193 1.782 1.00 0.98 N ATOM 655 CA THR A 43 -12.680 -10.988 2.453 1.00 0.91 C ATOM 656 C THR A 43 -13.234 -9.725 1.788 1.00 0.72 C ATOM 657 O THR A 43 -13.563 -9.722 0.619 1.00 0.64 O ATOM 658 CB THR A 43 -11.153 -11.007 2.326 1.00 0.95 C ATOM 659 OG1 THR A 43 -10.794 -11.414 1.015 1.00 1.00 O ATOM 660 CG2 THR A 43 -10.569 -11.987 3.345 1.00 1.17 C ATOM 0 H THR A 43 -12.664 -12.595 1.047 1.00 0.98 H new ATOM 0 HA THR A 43 -12.958 -10.993 3.507 1.00 0.91 H new ATOM 0 HB THR A 43 -10.759 -10.009 2.517 1.00 0.95 H new ATOM 0 HG1 THR A 43 -9.818 -11.425 0.932 1.00 1.00 H new ATOM 0 HG21 THR A 43 -9.483 -12.001 3.255 1.00 1.17 H new ATOM 0 HG22 THR A 43 -10.846 -11.673 4.352 1.00 1.17 H new ATOM 0 HG23 THR A 43 -10.962 -12.986 3.155 1.00 1.17 H new ATOM 668 N THR A 44 -13.344 -8.653 2.525 1.00 0.71 N ATOM 669 CA THR A 44 -13.881 -7.395 1.933 1.00 0.57 C ATOM 670 C THR A 44 -12.723 -6.484 1.525 1.00 0.68 C ATOM 671 O THR A 44 -11.569 -6.820 1.693 1.00 0.93 O ATOM 672 CB THR A 44 -14.758 -6.678 2.965 1.00 0.63 C ATOM 673 OG1 THR A 44 -14.969 -7.534 4.080 1.00 0.91 O ATOM 674 CG2 THR A 44 -16.106 -6.320 2.335 1.00 0.55 C ATOM 0 H THR A 44 -13.086 -8.594 3.510 1.00 0.71 H new ATOM 0 HA THR A 44 -14.478 -7.635 1.053 1.00 0.57 H new ATOM 0 HB THR A 44 -14.260 -5.766 3.293 1.00 0.63 H new ATOM 0 HG1 THR A 44 -15.528 -7.077 4.742 1.00 0.91 H new ATOM 0 HG21 THR A 44 -16.728 -5.810 3.071 1.00 0.55 H new ATOM 0 HG22 THR A 44 -15.945 -5.664 1.479 1.00 0.55 H new ATOM 0 HG23 THR A 44 -16.607 -7.230 2.005 1.00 0.55 H new ATOM 682 N GLU A 45 -13.020 -5.332 0.986 1.00 0.74 N ATOM 683 CA GLU A 45 -11.930 -4.406 0.571 1.00 0.95 C ATOM 684 C GLU A 45 -11.392 -3.680 1.803 1.00 0.81 C ATOM 685 O GLU A 45 -10.213 -3.418 1.911 1.00 0.83 O ATOM 686 CB GLU A 45 -12.468 -3.388 -0.441 1.00 1.27 C ATOM 687 CG GLU A 45 -13.153 -2.237 0.296 1.00 1.24 C ATOM 688 CD GLU A 45 -13.920 -1.375 -0.708 1.00 1.46 C ATOM 689 OE1 GLU A 45 -13.538 -1.368 -1.866 1.00 2.49 O ATOM 690 OE2 GLU A 45 -14.878 -0.738 -0.300 1.00 0.62 O ATOM 0 H GLU A 45 -13.967 -4.994 0.816 1.00 0.74 H new ATOM 0 HA GLU A 45 -11.126 -4.975 0.104 1.00 0.95 H new ATOM 0 HB2 GLU A 45 -11.652 -3.005 -1.054 1.00 1.27 H new ATOM 0 HB3 GLU A 45 -13.174 -3.871 -1.116 1.00 1.27 H new ATOM 0 HG2 GLU A 45 -13.835 -2.629 1.051 1.00 1.24 H new ATOM 0 HG3 GLU A 45 -12.411 -1.633 0.819 1.00 1.24 H new ATOM 697 N LYS A 46 -12.245 -3.362 2.742 1.00 0.75 N ATOM 698 CA LYS A 46 -11.770 -2.663 3.968 1.00 0.78 C ATOM 699 C LYS A 46 -10.897 -3.625 4.775 1.00 0.54 C ATOM 700 O LYS A 46 -9.868 -3.252 5.305 1.00 0.61 O ATOM 701 CB LYS A 46 -12.979 -2.202 4.798 1.00 0.94 C ATOM 702 CG LYS A 46 -12.987 -2.893 6.169 1.00 0.58 C ATOM 703 CD LYS A 46 -14.192 -2.406 6.977 1.00 0.85 C ATOM 704 CE LYS A 46 -15.071 -3.599 7.357 1.00 0.33 C ATOM 705 NZ LYS A 46 -15.853 -4.038 6.167 1.00 1.61 N ATOM 0 H LYS A 46 -13.246 -3.556 2.711 1.00 0.75 H new ATOM 0 HA LYS A 46 -11.182 -1.785 3.699 1.00 0.78 H new ATOM 0 HB2 LYS A 46 -12.946 -1.121 4.930 1.00 0.94 H new ATOM 0 HB3 LYS A 46 -13.902 -2.430 4.264 1.00 0.94 H new ATOM 0 HG2 LYS A 46 -13.033 -3.975 6.043 1.00 0.58 H new ATOM 0 HG3 LYS A 46 -12.063 -2.673 6.705 1.00 0.58 H new ATOM 0 HD2 LYS A 46 -13.855 -1.889 7.875 1.00 0.85 H new ATOM 0 HD3 LYS A 46 -14.768 -1.688 6.393 1.00 0.85 H new ATOM 0 HE2 LYS A 46 -14.452 -4.419 7.722 1.00 0.33 H new ATOM 0 HE3 LYS A 46 -15.746 -3.324 8.168 1.00 0.33 H new ATOM 0 HZ1 LYS A 46 -16.451 -4.849 6.424 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 -16.454 -3.255 5.838 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 -15.201 -4.316 5.406 1.00 1.61 H new ATOM 719 N GLU A 47 -11.291 -4.866 4.861 1.00 0.30 N ATOM 720 CA GLU A 47 -10.475 -5.851 5.622 1.00 0.29 C ATOM 721 C GLU A 47 -9.170 -6.093 4.867 1.00 0.22 C ATOM 722 O GLU A 47 -8.120 -6.266 5.454 1.00 0.30 O ATOM 723 CB GLU A 47 -11.249 -7.165 5.754 1.00 0.42 C ATOM 724 CG GLU A 47 -11.233 -7.621 7.213 1.00 0.48 C ATOM 725 CD GLU A 47 -9.786 -7.731 7.697 1.00 2.17 C ATOM 726 OE1 GLU A 47 -8.995 -8.346 7.002 1.00 3.12 O ATOM 727 OE2 GLU A 47 -9.493 -7.199 8.755 1.00 3.20 O ATOM 0 H GLU A 47 -12.141 -5.239 4.438 1.00 0.30 H new ATOM 0 HA GLU A 47 -10.259 -5.466 6.619 1.00 0.29 H new ATOM 0 HB2 GLU A 47 -12.276 -7.030 5.415 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -10.801 -7.929 5.118 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -11.782 -6.912 7.833 1.00 0.48 H new ATOM 0 HG3 GLU A 47 -11.734 -8.584 7.310 1.00 0.48 H new ATOM 734 N THR A 48 -9.228 -6.098 3.562 1.00 0.19 N ATOM 735 CA THR A 48 -7.991 -6.320 2.763 1.00 0.35 C ATOM 736 C THR A 48 -7.062 -5.108 2.901 1.00 0.34 C ATOM 737 O THR A 48 -5.864 -5.218 2.737 1.00 0.44 O ATOM 738 CB THR A 48 -8.357 -6.513 1.290 1.00 0.49 C ATOM 739 OG1 THR A 48 -9.260 -7.603 1.169 1.00 0.60 O ATOM 740 CG2 THR A 48 -7.091 -6.805 0.481 1.00 0.73 C ATOM 0 H THR A 48 -10.078 -5.958 3.016 1.00 0.19 H new ATOM 0 HA THR A 48 -7.483 -7.211 3.131 1.00 0.35 H new ATOM 0 HB THR A 48 -8.827 -5.606 0.909 1.00 0.49 H new ATOM 0 HG1 THR A 48 -10.153 -7.265 0.946 1.00 0.60 H new ATOM 0 HG21 THR A 48 -7.353 -6.942 -0.568 1.00 0.73 H new ATOM 0 HG22 THR A 48 -6.398 -5.969 0.575 1.00 0.73 H new ATOM 0 HG23 THR A 48 -6.619 -7.712 0.859 1.00 0.73 H new ATOM 748 N PHE A 49 -7.599 -3.952 3.204 1.00 0.28 N ATOM 749 CA PHE A 49 -6.729 -2.751 3.351 1.00 0.37 C ATOM 750 C PHE A 49 -6.005 -2.818 4.697 1.00 0.26 C ATOM 751 O PHE A 49 -4.876 -2.389 4.826 1.00 0.24 O ATOM 752 CB PHE A 49 -7.575 -1.471 3.297 1.00 0.48 C ATOM 753 CG PHE A 49 -8.043 -1.210 1.880 1.00 0.63 C ATOM 754 CD1 PHE A 49 -7.157 -1.347 0.801 1.00 1.40 C ATOM 755 CD2 PHE A 49 -9.370 -0.830 1.646 1.00 0.37 C ATOM 756 CE1 PHE A 49 -7.601 -1.106 -0.505 1.00 1.56 C ATOM 757 CE2 PHE A 49 -9.813 -0.591 0.340 1.00 0.39 C ATOM 758 CZ PHE A 49 -8.929 -0.729 -0.736 1.00 0.94 C ATOM 0 H PHE A 49 -8.595 -3.791 3.354 1.00 0.28 H new ATOM 0 HA PHE A 49 -6.006 -2.734 2.536 1.00 0.37 H new ATOM 0 HB2 PHE A 49 -8.435 -1.567 3.959 1.00 0.48 H new ATOM 0 HB3 PHE A 49 -6.989 -0.624 3.656 1.00 0.48 H new ATOM 0 HD1 PHE A 49 -6.132 -1.638 0.978 1.00 1.40 H new ATOM 0 HD2 PHE A 49 -10.053 -0.721 2.475 1.00 0.37 H new ATOM 0 HE1 PHE A 49 -6.918 -1.211 -1.335 1.00 1.56 H new ATOM 0 HE2 PHE A 49 -10.838 -0.300 0.163 1.00 0.39 H new ATOM 0 HZ PHE A 49 -9.271 -0.545 -1.744 1.00 0.94 H new ATOM 768 N CYS A 50 -6.644 -3.357 5.700 1.00 0.21 N ATOM 769 CA CYS A 50 -5.987 -3.453 7.034 1.00 0.17 C ATOM 770 C CYS A 50 -4.806 -4.421 6.950 1.00 0.08 C ATOM 771 O CYS A 50 -3.708 -4.117 7.379 1.00 0.13 O ATOM 772 CB CYS A 50 -6.994 -3.967 8.064 1.00 0.23 C ATOM 773 SG CYS A 50 -6.160 -4.207 9.651 1.00 0.76 S ATOM 0 H CYS A 50 -7.591 -3.734 5.653 1.00 0.21 H new ATOM 0 HA CYS A 50 -5.631 -2.468 7.335 1.00 0.17 H new ATOM 0 HB2 CYS A 50 -7.813 -3.256 8.175 1.00 0.23 H new ATOM 0 HB3 CYS A 50 -7.431 -4.906 7.725 1.00 0.23 H new ATOM 778 N ARG A 51 -5.020 -5.588 6.402 1.00 0.20 N ATOM 779 CA ARG A 51 -3.908 -6.575 6.289 1.00 0.27 C ATOM 780 C ARG A 51 -2.783 -5.970 5.450 1.00 0.26 C ATOM 781 O ARG A 51 -1.641 -5.913 5.869 1.00 0.25 O ATOM 782 CB ARG A 51 -4.422 -7.848 5.614 1.00 0.39 C ATOM 783 CG ARG A 51 -5.171 -8.696 6.642 1.00 0.55 C ATOM 784 CD ARG A 51 -5.544 -10.043 6.022 1.00 0.66 C ATOM 785 NE ARG A 51 -4.964 -11.145 6.846 1.00 1.52 N ATOM 786 CZ ARG A 51 -5.364 -12.387 6.694 1.00 1.92 C ATOM 787 NH1 ARG A 51 -6.283 -12.703 5.812 1.00 1.67 N ATOM 788 NH2 ARG A 51 -4.837 -13.325 7.433 1.00 2.70 N ATOM 0 H ARG A 51 -5.916 -5.900 6.028 1.00 0.20 H new ATOM 0 HA ARG A 51 -3.533 -6.820 7.282 1.00 0.27 H new ATOM 0 HB2 ARG A 51 -5.082 -7.593 4.785 1.00 0.39 H new ATOM 0 HB3 ARG A 51 -3.589 -8.414 5.196 1.00 0.39 H new ATOM 0 HG2 ARG A 51 -4.549 -8.850 7.524 1.00 0.55 H new ATOM 0 HG3 ARG A 51 -6.070 -8.175 6.973 1.00 0.55 H new ATOM 0 HD2 ARG A 51 -6.628 -10.144 5.970 1.00 0.66 H new ATOM 0 HD3 ARG A 51 -5.169 -10.102 5.000 1.00 0.66 H new ATOM 0 HE ARG A 51 -4.246 -10.930 7.538 1.00 1.52 H new ATOM 0 HH11 ARG A 51 -6.701 -11.978 5.229 1.00 1.67 H new ATOM 0 HH12 ARG A 51 -6.579 -13.674 5.710 1.00 1.67 H new ATOM 0 HH21 ARG A 51 -4.121 -13.091 8.121 1.00 2.70 H new ATOM 0 HH22 ARG A 51 -5.141 -14.292 7.323 1.00 2.70 H new ATOM 802 N ALA A 52 -3.096 -5.509 4.272 1.00 0.30 N ATOM 803 CA ALA A 52 -2.047 -4.897 3.412 1.00 0.32 C ATOM 804 C ALA A 52 -1.448 -3.678 4.122 1.00 0.26 C ATOM 805 O ALA A 52 -0.369 -3.234 3.793 1.00 0.24 O ATOM 806 CB ALA A 52 -2.662 -4.464 2.083 1.00 0.37 C ATOM 0 H ALA A 52 -4.032 -5.530 3.868 1.00 0.30 H new ATOM 0 HA ALA A 52 -1.261 -5.629 3.225 1.00 0.32 H new ATOM 0 HB1 ALA A 52 -1.892 -4.016 1.455 1.00 0.37 H new ATOM 0 HB2 ALA A 52 -3.083 -5.333 1.577 1.00 0.37 H new ATOM 0 HB3 ALA A 52 -3.450 -3.734 2.267 1.00 0.37 H new ATOM 812 N ALA A 53 -2.136 -3.131 5.092 1.00 0.23 N ATOM 813 CA ALA A 53 -1.590 -1.949 5.814 1.00 0.17 C ATOM 814 C ALA A 53 -0.443 -2.404 6.715 1.00 0.13 C ATOM 815 O ALA A 53 0.546 -1.719 6.870 1.00 0.12 O ATOM 816 CB ALA A 53 -2.690 -1.313 6.665 1.00 0.16 C ATOM 0 H ALA A 53 -3.049 -3.453 5.412 1.00 0.23 H new ATOM 0 HA ALA A 53 -1.226 -1.215 5.096 1.00 0.17 H new ATOM 0 HB1 ALA A 53 -2.288 -0.448 7.192 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -3.511 -0.996 6.021 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -3.057 -2.041 7.389 1.00 0.16 H new ATOM 822 N THR A 54 -0.565 -3.562 7.307 1.00 0.14 N ATOM 823 CA THR A 54 0.524 -4.066 8.192 1.00 0.13 C ATOM 824 C THR A 54 1.748 -4.392 7.335 1.00 0.15 C ATOM 825 O THR A 54 2.858 -3.986 7.631 1.00 0.09 O ATOM 826 CB THR A 54 0.047 -5.329 8.916 1.00 0.19 C ATOM 827 OG1 THR A 54 -0.356 -4.991 10.235 1.00 0.56 O ATOM 828 CG2 THR A 54 1.184 -6.354 8.972 1.00 0.27 C ATOM 0 H THR A 54 -1.371 -4.180 7.216 1.00 0.14 H new ATOM 0 HA THR A 54 0.786 -3.308 8.930 1.00 0.13 H new ATOM 0 HB THR A 54 -0.796 -5.760 8.376 1.00 0.19 H new ATOM 0 HG1 THR A 54 -0.663 -5.797 10.700 1.00 0.56 H new ATOM 0 HG21 THR A 54 0.840 -7.251 9.488 1.00 0.27 H new ATOM 0 HG22 THR A 54 1.490 -6.613 7.959 1.00 0.27 H new ATOM 0 HG23 THR A 54 2.031 -5.928 9.510 1.00 0.27 H new ATOM 836 N VAL A 55 1.553 -5.119 6.268 1.00 0.28 N ATOM 837 CA VAL A 55 2.699 -5.469 5.382 1.00 0.34 C ATOM 838 C VAL A 55 3.356 -4.182 4.875 1.00 0.36 C ATOM 839 O VAL A 55 4.559 -4.105 4.710 1.00 0.41 O ATOM 840 CB VAL A 55 2.188 -6.289 4.193 1.00 0.40 C ATOM 841 CG1 VAL A 55 3.360 -6.644 3.278 1.00 0.49 C ATOM 842 CG2 VAL A 55 1.537 -7.577 4.706 1.00 0.42 C ATOM 0 H VAL A 55 0.648 -5.486 5.972 1.00 0.28 H new ATOM 0 HA VAL A 55 3.430 -6.055 5.939 1.00 0.34 H new ATOM 0 HB VAL A 55 1.455 -5.705 3.637 1.00 0.40 H new ATOM 0 HG11 VAL A 55 2.997 -7.227 2.432 1.00 0.49 H new ATOM 0 HG12 VAL A 55 3.828 -5.729 2.914 1.00 0.49 H new ATOM 0 HG13 VAL A 55 4.092 -7.229 3.835 1.00 0.49 H new ATOM 0 HG21 VAL A 55 1.173 -8.162 3.861 1.00 0.42 H new ATOM 0 HG22 VAL A 55 2.272 -8.160 5.261 1.00 0.42 H new ATOM 0 HG23 VAL A 55 0.702 -7.327 5.361 1.00 0.42 H new ATOM 852 N LEU A 56 2.572 -3.168 4.635 1.00 0.38 N ATOM 853 CA LEU A 56 3.138 -1.880 4.147 1.00 0.45 C ATOM 854 C LEU A 56 3.950 -1.231 5.266 1.00 0.40 C ATOM 855 O LEU A 56 4.937 -0.568 5.028 1.00 0.48 O ATOM 856 CB LEU A 56 1.998 -0.944 3.739 1.00 0.49 C ATOM 857 CG LEU A 56 1.992 -0.778 2.219 1.00 0.57 C ATOM 858 CD1 LEU A 56 1.359 -2.011 1.572 1.00 0.99 C ATOM 859 CD2 LEU A 56 1.180 0.464 1.847 1.00 0.46 C ATOM 0 H LEU A 56 1.559 -3.176 4.757 1.00 0.38 H new ATOM 0 HA LEU A 56 3.781 -2.066 3.287 1.00 0.45 H new ATOM 0 HB2 LEU A 56 1.043 -1.349 4.075 1.00 0.49 H new ATOM 0 HB3 LEU A 56 2.120 0.026 4.221 1.00 0.49 H new ATOM 0 HG LEU A 56 3.016 -0.666 1.862 1.00 0.57 H new ATOM 0 HD11 LEU A 56 1.355 -1.892 0.489 1.00 0.99 H new ATOM 0 HD12 LEU A 56 1.935 -2.897 1.838 1.00 0.99 H new ATOM 0 HD13 LEU A 56 0.335 -2.124 1.928 1.00 0.99 H new ATOM 0 HD21 LEU A 56 1.175 0.584 0.764 1.00 0.46 H new ATOM 0 HD22 LEU A 56 0.157 0.350 2.205 1.00 0.46 H new ATOM 0 HD23 LEU A 56 1.629 1.344 2.307 1.00 0.46 H new ATOM 871 N ARG A 57 3.544 -1.424 6.489 1.00 0.27 N ATOM 872 CA ARG A 57 4.296 -0.826 7.624 1.00 0.25 C ATOM 873 C ARG A 57 5.726 -1.359 7.600 1.00 0.22 C ATOM 874 O ARG A 57 6.680 -0.613 7.698 1.00 0.31 O ATOM 875 CB ARG A 57 3.625 -1.215 8.942 1.00 0.20 C ATOM 876 CG ARG A 57 3.665 -0.026 9.904 1.00 0.63 C ATOM 877 CD ARG A 57 2.650 -0.245 11.025 1.00 0.85 C ATOM 878 NE ARG A 57 1.269 -0.141 10.468 1.00 2.55 N ATOM 879 CZ ARG A 57 0.231 -0.570 11.149 1.00 3.24 C ATOM 880 NH1 ARG A 57 0.370 -1.097 12.342 1.00 2.35 N ATOM 881 NH2 ARG A 57 -0.961 -0.470 10.628 1.00 4.88 N ATOM 0 H ARG A 57 2.723 -1.970 6.751 1.00 0.27 H new ATOM 0 HA ARG A 57 4.304 0.260 7.534 1.00 0.25 H new ATOM 0 HB2 ARG A 57 2.593 -1.517 8.762 1.00 0.20 H new ATOM 0 HB3 ARG A 57 4.135 -2.071 9.383 1.00 0.20 H new ATOM 0 HG2 ARG A 57 4.666 0.085 10.321 1.00 0.63 H new ATOM 0 HG3 ARG A 57 3.439 0.896 9.369 1.00 0.63 H new ATOM 0 HD2 ARG A 57 2.798 -1.225 11.479 1.00 0.85 H new ATOM 0 HD3 ARG A 57 2.794 0.496 11.811 1.00 0.85 H new ATOM 0 HE ARG A 57 1.129 0.269 9.545 1.00 2.55 H new ATOM 0 HH11 ARG A 57 1.298 -1.180 12.758 1.00 2.35 H new ATOM 0 HH12 ARG A 57 -0.450 -1.424 12.854 1.00 2.35 H new ATOM 0 HH21 ARG A 57 -1.080 -0.062 9.701 1.00 4.88 H new ATOM 0 HH22 ARG A 57 -1.774 -0.800 11.148 1.00 4.88 H new ATOM 895 N GLN A 58 5.881 -2.647 7.457 1.00 0.16 N ATOM 896 CA GLN A 58 7.252 -3.230 7.413 1.00 0.16 C ATOM 897 C GLN A 58 7.987 -2.693 6.183 1.00 0.20 C ATOM 898 O GLN A 58 9.190 -2.533 6.184 1.00 0.17 O ATOM 899 CB GLN A 58 7.158 -4.755 7.321 1.00 0.21 C ATOM 900 CG GLN A 58 7.248 -5.359 8.723 1.00 0.55 C ATOM 901 CD GLN A 58 7.408 -6.877 8.620 1.00 0.81 C ATOM 902 OE1 GLN A 58 6.434 -7.600 8.550 1.00 1.88 O ATOM 903 NE2 GLN A 58 8.606 -7.395 8.609 1.00 0.71 N ATOM 0 H GLN A 58 5.119 -3.320 7.369 1.00 0.16 H new ATOM 0 HA GLN A 58 7.795 -2.955 8.317 1.00 0.16 H new ATOM 0 HB2 GLN A 58 6.219 -5.044 6.849 1.00 0.21 H new ATOM 0 HB3 GLN A 58 7.962 -5.142 6.695 1.00 0.21 H new ATOM 0 HG2 GLN A 58 8.093 -4.930 9.261 1.00 0.55 H new ATOM 0 HG3 GLN A 58 6.351 -5.116 9.293 1.00 0.55 H new ATOM 0 HE21 GLN A 58 9.424 -6.789 8.668 1.00 0.71 H new ATOM 0 HE22 GLN A 58 8.724 -8.406 8.542 1.00 0.71 H new ATOM 912 N PHE A 59 7.268 -2.420 5.129 1.00 0.31 N ATOM 913 CA PHE A 59 7.917 -1.900 3.893 1.00 0.37 C ATOM 914 C PHE A 59 8.641 -0.584 4.195 1.00 0.43 C ATOM 915 O PHE A 59 9.837 -0.470 4.027 1.00 0.60 O ATOM 916 CB PHE A 59 6.849 -1.659 2.823 1.00 0.34 C ATOM 917 CG PHE A 59 7.504 -1.166 1.556 1.00 0.39 C ATOM 918 CD1 PHE A 59 8.463 -1.956 0.913 1.00 1.00 C ATOM 919 CD2 PHE A 59 7.152 0.081 1.025 1.00 0.35 C ATOM 920 CE1 PHE A 59 9.072 -1.500 -0.262 1.00 1.13 C ATOM 921 CE2 PHE A 59 7.761 0.537 -0.150 1.00 0.29 C ATOM 922 CZ PHE A 59 8.722 -0.252 -0.793 1.00 0.63 C ATOM 0 H PHE A 59 6.256 -2.535 5.071 1.00 0.31 H new ATOM 0 HA PHE A 59 8.641 -2.631 3.534 1.00 0.37 H new ATOM 0 HB2 PHE A 59 6.302 -2.581 2.627 1.00 0.34 H new ATOM 0 HB3 PHE A 59 6.123 -0.927 3.178 1.00 0.34 H new ATOM 0 HD1 PHE A 59 8.733 -2.918 1.323 1.00 1.00 H new ATOM 0 HD2 PHE A 59 6.411 0.690 1.522 1.00 0.35 H new ATOM 0 HE1 PHE A 59 9.812 -2.110 -0.759 1.00 1.13 H new ATOM 0 HE2 PHE A 59 7.489 1.498 -0.561 1.00 0.29 H new ATOM 0 HZ PHE A 59 9.193 0.101 -1.698 1.00 0.63 H new ATOM 932 N TYR A 60 7.925 0.415 4.629 1.00 0.47 N ATOM 933 CA TYR A 60 8.572 1.726 4.924 1.00 0.52 C ATOM 934 C TYR A 60 9.184 1.732 6.334 1.00 0.34 C ATOM 935 O TYR A 60 9.728 2.729 6.768 1.00 0.20 O ATOM 936 CB TYR A 60 7.520 2.833 4.829 1.00 0.73 C ATOM 937 CG TYR A 60 7.022 3.177 6.212 1.00 0.67 C ATOM 938 CD1 TYR A 60 6.138 2.314 6.874 1.00 0.83 C ATOM 939 CD2 TYR A 60 7.442 4.358 6.833 1.00 0.53 C ATOM 940 CE1 TYR A 60 5.677 2.634 8.156 1.00 0.88 C ATOM 941 CE2 TYR A 60 6.982 4.677 8.116 1.00 0.62 C ATOM 942 CZ TYR A 60 6.100 3.815 8.778 1.00 0.80 C ATOM 943 OH TYR A 60 5.648 4.129 10.043 1.00 0.96 O ATOM 0 H TYR A 60 6.919 0.381 4.793 1.00 0.47 H new ATOM 0 HA TYR A 60 9.369 1.893 4.199 1.00 0.52 H new ATOM 0 HB2 TYR A 60 7.948 3.716 4.355 1.00 0.73 H new ATOM 0 HB3 TYR A 60 6.689 2.507 4.203 1.00 0.73 H new ATOM 0 HD1 TYR A 60 5.813 1.402 6.395 1.00 0.83 H new ATOM 0 HD2 TYR A 60 8.122 5.024 6.322 1.00 0.53 H new ATOM 0 HE1 TYR A 60 4.995 1.970 8.666 1.00 0.88 H new ATOM 0 HE2 TYR A 60 7.308 5.588 8.595 1.00 0.62 H new ATOM 0 HH TYR A 60 6.039 4.981 10.328 1.00 0.96 H new ATOM 953 N SER A 61 9.104 0.648 7.061 1.00 0.41 N ATOM 954 CA SER A 61 9.684 0.640 8.434 1.00 0.31 C ATOM 955 C SER A 61 11.142 0.166 8.397 1.00 0.10 C ATOM 956 O SER A 61 12.040 0.860 8.831 1.00 0.14 O ATOM 957 CB SER A 61 8.869 -0.296 9.324 1.00 0.46 C ATOM 958 OG SER A 61 7.701 0.381 9.768 1.00 1.47 O ATOM 0 H SER A 61 8.666 -0.224 6.766 1.00 0.41 H new ATOM 0 HA SER A 61 9.653 1.653 8.835 1.00 0.31 H new ATOM 0 HB2 SER A 61 8.595 -1.195 8.772 1.00 0.46 H new ATOM 0 HB3 SER A 61 9.465 -0.616 10.178 1.00 0.46 H new ATOM 0 HG SER A 61 6.933 0.095 9.231 1.00 1.47 H new ATOM 964 N HIS A 62 11.384 -1.018 7.904 1.00 0.20 N ATOM 965 CA HIS A 62 12.781 -1.541 7.867 1.00 0.32 C ATOM 966 C HIS A 62 13.467 -1.155 6.551 1.00 0.36 C ATOM 967 O HIS A 62 14.660 -0.933 6.511 1.00 0.42 O ATOM 968 CB HIS A 62 12.751 -3.067 7.995 1.00 0.52 C ATOM 969 CG HIS A 62 13.091 -3.459 9.407 1.00 0.78 C ATOM 970 ND1 HIS A 62 14.399 -3.524 9.860 1.00 1.58 N ATOM 971 CD2 HIS A 62 12.304 -3.801 10.480 1.00 1.02 C ATOM 972 CE1 HIS A 62 14.361 -3.894 11.154 1.00 1.57 C ATOM 973 NE2 HIS A 62 13.110 -4.075 11.582 1.00 1.17 N ATOM 0 H HIS A 62 10.675 -1.646 7.525 1.00 0.20 H new ATOM 0 HA HIS A 62 13.342 -1.106 8.694 1.00 0.32 H new ATOM 0 HB2 HIS A 62 11.764 -3.446 7.729 1.00 0.52 H new ATOM 0 HB3 HIS A 62 13.462 -3.515 7.301 1.00 0.52 H new ATOM 0 HD2 HIS A 62 11.225 -3.850 10.470 1.00 1.02 H new ATOM 0 HE1 HIS A 62 15.237 -4.028 11.771 1.00 1.57 H new ATOM 0 HE2 HIS A 62 12.809 -4.354 12.516 1.00 1.17 H new ATOM 981 N HIS A 63 12.734 -1.087 5.472 1.00 0.33 N ATOM 982 CA HIS A 63 13.371 -0.728 4.171 1.00 0.38 C ATOM 983 C HIS A 63 13.328 0.789 3.943 1.00 0.16 C ATOM 984 O HIS A 63 13.440 1.253 2.825 1.00 0.13 O ATOM 985 CB HIS A 63 12.639 -1.435 3.027 1.00 0.56 C ATOM 986 CG HIS A 63 12.473 -2.892 3.359 1.00 1.05 C ATOM 987 ND1 HIS A 63 13.483 -3.816 3.145 1.00 1.50 N ATOM 988 CD2 HIS A 63 11.421 -3.601 3.884 1.00 1.39 C ATOM 989 CE1 HIS A 63 13.022 -5.018 3.537 1.00 1.97 C ATOM 990 NE2 HIS A 63 11.770 -4.944 3.996 1.00 1.97 N ATOM 0 H HIS A 63 11.730 -1.263 5.434 1.00 0.33 H new ATOM 0 HA HIS A 63 14.413 -1.048 4.198 1.00 0.38 H new ATOM 0 HB2 HIS A 63 11.664 -0.975 2.866 1.00 0.56 H new ATOM 0 HB3 HIS A 63 13.200 -1.325 2.099 1.00 0.56 H new ATOM 0 HD2 HIS A 63 10.467 -3.181 4.167 1.00 1.39 H new ATOM 0 HE1 HIS A 63 13.595 -5.932 3.487 1.00 1.97 H new ATOM 0 HE2 HIS A 63 11.194 -5.707 4.352 1.00 1.97 H new ATOM 998 N GLU A 64 13.180 1.573 4.978 1.00 0.29 N ATOM 999 CA GLU A 64 13.149 3.052 4.780 1.00 0.09 C ATOM 1000 C GLU A 64 14.575 3.599 4.880 1.00 0.22 C ATOM 1001 O GLU A 64 14.943 4.529 4.190 1.00 0.40 O ATOM 1002 CB GLU A 64 12.262 3.704 5.848 1.00 0.15 C ATOM 1003 CG GLU A 64 12.941 4.968 6.386 1.00 0.24 C ATOM 1004 CD GLU A 64 11.952 5.751 7.250 1.00 0.58 C ATOM 1005 OE1 GLU A 64 10.864 5.246 7.476 1.00 1.47 O ATOM 1006 OE2 GLU A 64 12.298 6.842 7.672 1.00 1.44 O ATOM 0 H GLU A 64 13.080 1.258 5.943 1.00 0.29 H new ATOM 0 HA GLU A 64 12.738 3.281 3.797 1.00 0.09 H new ATOM 0 HB2 GLU A 64 11.290 3.955 5.423 1.00 0.15 H new ATOM 0 HB3 GLU A 64 12.082 3.002 6.662 1.00 0.15 H new ATOM 0 HG2 GLU A 64 13.820 4.700 6.973 1.00 0.24 H new ATOM 0 HG3 GLU A 64 13.287 5.588 5.559 1.00 0.24 H new ATOM 1013 N LYS A 65 15.381 3.023 5.729 1.00 0.42 N ATOM 1014 CA LYS A 65 16.785 3.501 5.869 1.00 0.56 C ATOM 1015 C LYS A 65 17.740 2.363 5.506 1.00 0.56 C ATOM 1016 O LYS A 65 18.798 2.218 6.086 1.00 0.78 O ATOM 1017 CB LYS A 65 17.038 3.934 7.316 1.00 0.76 C ATOM 1018 CG LYS A 65 17.733 5.299 7.331 1.00 1.28 C ATOM 1019 CD LYS A 65 19.242 5.105 7.499 1.00 1.78 C ATOM 1020 CE LYS A 65 19.939 6.467 7.471 1.00 2.38 C ATOM 1021 NZ LYS A 65 21.406 6.276 7.292 1.00 3.13 N ATOM 0 H LYS A 65 15.127 2.241 6.333 1.00 0.42 H new ATOM 0 HA LYS A 65 16.951 4.349 5.204 1.00 0.56 H new ATOM 0 HB2 LYS A 65 16.095 3.989 7.860 1.00 0.76 H new ATOM 0 HB3 LYS A 65 17.656 3.194 7.825 1.00 0.76 H new ATOM 0 HG2 LYS A 65 17.526 5.834 6.404 1.00 1.28 H new ATOM 0 HG3 LYS A 65 17.342 5.909 8.145 1.00 1.28 H new ATOM 0 HD2 LYS A 65 19.451 4.597 8.440 1.00 1.78 H new ATOM 0 HD3 LYS A 65 19.629 4.470 6.702 1.00 1.78 H new ATOM 0 HE2 LYS A 65 19.540 7.074 6.659 1.00 2.38 H new ATOM 0 HE3 LYS A 65 19.743 7.006 8.398 1.00 2.38 H new ATOM 0 HZ1 LYS A 65 21.877 7.203 7.273 1.00 3.13 H new ATOM 0 HZ2 LYS A 65 21.782 5.713 8.081 1.00 3.13 H new ATOM 0 HZ3 LYS A 65 21.585 5.779 6.396 1.00 3.13 H new ATOM 1035 N ASP A 66 17.373 1.551 4.552 1.00 0.34 N ATOM 1036 CA ASP A 66 18.257 0.420 4.155 1.00 0.33 C ATOM 1037 C ASP A 66 19.081 0.816 2.929 1.00 0.29 C ATOM 1038 O ASP A 66 18.662 1.616 2.118 1.00 0.30 O ATOM 1039 CB ASP A 66 17.404 -0.805 3.817 1.00 0.31 C ATOM 1040 CG ASP A 66 17.482 -1.815 4.963 1.00 0.74 C ATOM 1041 OD1 ASP A 66 17.418 -1.392 6.105 1.00 1.47 O ATOM 1042 OD2 ASP A 66 17.606 -2.996 4.679 1.00 0.59 O ATOM 0 H ASP A 66 16.499 1.623 4.031 1.00 0.34 H new ATOM 0 HA ASP A 66 18.926 0.182 4.982 1.00 0.33 H new ATOM 0 HB2 ASP A 66 16.369 -0.506 3.652 1.00 0.31 H new ATOM 0 HB3 ASP A 66 17.755 -1.262 2.892 1.00 0.31 H new ATOM 1047 N THR A 67 20.249 0.253 2.789 1.00 0.24 N ATOM 1048 CA THR A 67 21.106 0.585 1.615 1.00 0.20 C ATOM 1049 C THR A 67 20.588 -0.136 0.359 1.00 0.15 C ATOM 1050 O THR A 67 21.067 0.096 -0.734 1.00 0.18 O ATOM 1051 CB THR A 67 22.539 0.132 1.899 1.00 0.17 C ATOM 1052 OG1 THR A 67 22.530 -1.230 2.305 1.00 1.07 O ATOM 1053 CG2 THR A 67 23.138 0.993 3.012 1.00 1.34 C ATOM 0 H THR A 67 20.648 -0.425 3.438 1.00 0.24 H new ATOM 0 HA THR A 67 21.078 1.661 1.444 1.00 0.20 H new ATOM 0 HB THR A 67 23.140 0.240 0.996 1.00 0.17 H new ATOM 0 HG1 THR A 67 23.447 -1.523 2.486 1.00 1.07 H new ATOM 0 HG21 THR A 67 24.159 0.669 3.213 1.00 1.34 H new ATOM 0 HG22 THR A 67 23.144 2.038 2.701 1.00 1.34 H new ATOM 0 HG23 THR A 67 22.539 0.887 3.916 1.00 1.34 H new ATOM 1061 N ARG A 68 19.622 -1.010 0.496 1.00 0.29 N ATOM 1062 CA ARG A 68 19.098 -1.732 -0.697 1.00 0.33 C ATOM 1063 C ARG A 68 18.458 -0.733 -1.665 1.00 0.32 C ATOM 1064 O ARG A 68 18.811 -0.667 -2.826 1.00 0.31 O ATOM 1065 CB ARG A 68 18.052 -2.756 -0.251 1.00 0.57 C ATOM 1066 CG ARG A 68 18.678 -3.721 0.761 1.00 1.13 C ATOM 1067 CD ARG A 68 19.561 -4.732 0.028 1.00 0.66 C ATOM 1068 NE ARG A 68 19.172 -6.115 0.431 1.00 0.29 N ATOM 1069 CZ ARG A 68 19.580 -7.159 -0.252 1.00 0.93 C ATOM 1070 NH1 ARG A 68 20.344 -7.024 -1.310 1.00 1.97 N ATOM 1071 NH2 ARG A 68 19.220 -8.353 0.130 1.00 1.33 N ATOM 0 H ARG A 68 19.177 -1.252 1.381 1.00 0.29 H new ATOM 0 HA ARG A 68 19.918 -2.244 -1.200 1.00 0.33 H new ATOM 0 HB2 ARG A 68 17.198 -2.247 0.196 1.00 0.57 H new ATOM 0 HB3 ARG A 68 17.678 -3.309 -1.113 1.00 0.57 H new ATOM 0 HG2 ARG A 68 19.270 -3.167 1.489 1.00 1.13 H new ATOM 0 HG3 ARG A 68 17.896 -4.240 1.315 1.00 1.13 H new ATOM 0 HD2 ARG A 68 19.453 -4.612 -1.050 1.00 0.66 H new ATOM 0 HD3 ARG A 68 20.610 -4.554 0.265 1.00 0.66 H new ATOM 0 HE ARG A 68 18.580 -6.251 1.250 1.00 0.29 H new ATOM 0 HH11 ARG A 68 20.632 -6.095 -1.616 1.00 1.97 H new ATOM 0 HH12 ARG A 68 20.650 -7.849 -1.827 1.00 1.97 H new ATOM 0 HH21 ARG A 68 18.627 -8.468 0.952 1.00 1.33 H new ATOM 0 HH22 ARG A 68 19.531 -9.171 -0.393 1.00 1.33 H new ATOM 1085 N CYS A 69 17.519 0.044 -1.199 1.00 0.43 N ATOM 1086 CA CYS A 69 16.862 1.036 -2.098 1.00 0.55 C ATOM 1087 C CYS A 69 17.621 2.364 -2.040 1.00 0.59 C ATOM 1088 O CYS A 69 17.659 3.111 -2.997 1.00 0.81 O ATOM 1089 CB CYS A 69 15.416 1.253 -1.645 1.00 0.60 C ATOM 1090 SG CYS A 69 14.397 1.698 -3.073 1.00 1.07 S ATOM 0 H CYS A 69 17.179 0.036 -0.237 1.00 0.43 H new ATOM 0 HA CYS A 69 16.871 0.660 -3.121 1.00 0.55 H new ATOM 0 HB2 CYS A 69 15.030 0.347 -1.178 1.00 0.60 H new ATOM 0 HB3 CYS A 69 15.373 2.042 -0.894 1.00 0.60 H new ATOM 1095 N LEU A 70 18.226 2.662 -0.924 1.00 0.68 N ATOM 1096 CA LEU A 70 18.982 3.942 -0.801 1.00 0.89 C ATOM 1097 C LEU A 70 20.170 3.925 -1.766 1.00 1.23 C ATOM 1098 O LEU A 70 20.283 4.759 -2.642 1.00 1.53 O ATOM 1099 CB LEU A 70 19.490 4.094 0.634 1.00 1.28 C ATOM 1100 CG LEU A 70 20.620 5.122 0.670 1.00 1.40 C ATOM 1101 CD1 LEU A 70 20.175 6.391 -0.057 1.00 2.36 C ATOM 1102 CD2 LEU A 70 20.954 5.459 2.125 1.00 2.48 C ATOM 0 H LEU A 70 18.230 2.074 -0.090 1.00 0.68 H new ATOM 0 HA LEU A 70 18.328 4.779 -1.046 1.00 0.89 H new ATOM 0 HB2 LEU A 70 18.676 4.409 1.287 1.00 1.28 H new ATOM 0 HB3 LEU A 70 19.846 3.134 1.009 1.00 1.28 H new ATOM 0 HG LEU A 70 21.503 4.712 0.179 1.00 1.40 H new ATOM 0 HD11 LEU A 70 20.980 7.126 -0.032 1.00 2.36 H new ATOM 0 HD12 LEU A 70 19.934 6.151 -1.093 1.00 2.36 H new ATOM 0 HD13 LEU A 70 19.293 6.802 0.435 1.00 2.36 H new ATOM 0 HD21 LEU A 70 21.760 6.192 2.153 1.00 2.48 H new ATOM 0 HD22 LEU A 70 20.072 5.871 2.615 1.00 2.48 H new ATOM 0 HD23 LEU A 70 21.269 4.554 2.645 1.00 2.48 H new ATOM 1114 N GLY A 71 21.055 2.981 -1.610 1.00 1.39 N ATOM 1115 CA GLY A 71 22.236 2.908 -2.514 1.00 1.83 C ATOM 1116 C GLY A 71 23.412 3.652 -1.883 1.00 2.26 C ATOM 1117 O GLY A 71 23.744 3.448 -0.733 1.00 2.56 O ATOM 0 H GLY A 71 21.011 2.256 -0.894 1.00 1.39 H new ATOM 0 HA2 GLY A 71 22.505 1.867 -2.693 1.00 1.83 H new ATOM 0 HA3 GLY A 71 21.993 3.346 -3.482 1.00 1.83 H new ATOM 1121 N ALA A 72 24.049 4.512 -2.629 1.00 2.36 N ATOM 1122 CA ALA A 72 25.207 5.263 -2.073 1.00 2.80 C ATOM 1123 C ALA A 72 25.417 6.549 -2.874 1.00 2.55 C ATOM 1124 O ALA A 72 26.512 6.847 -3.311 1.00 2.52 O ATOM 1125 CB ALA A 72 26.461 4.393 -2.164 1.00 3.52 C ATOM 0 H ALA A 72 23.817 4.726 -3.599 1.00 2.36 H new ATOM 0 HA ALA A 72 25.012 5.517 -1.031 1.00 2.80 H new ATOM 0 HB1 ALA A 72 27.313 4.939 -1.758 1.00 3.52 H new ATOM 0 HB2 ALA A 72 26.311 3.477 -1.592 1.00 3.52 H new ATOM 0 HB3 ALA A 72 26.655 4.142 -3.207 1.00 3.52 H new ATOM 1131 N THR A 73 24.378 7.314 -3.072 1.00 2.40 N ATOM 1132 CA THR A 73 24.521 8.580 -3.845 1.00 2.15 C ATOM 1133 C THR A 73 23.568 9.633 -3.277 1.00 1.84 C ATOM 1134 O THR A 73 22.721 9.338 -2.456 1.00 1.84 O ATOM 1135 CB THR A 73 24.180 8.321 -5.315 1.00 1.94 C ATOM 1136 OG1 THR A 73 23.223 7.275 -5.399 1.00 1.92 O ATOM 1137 CG2 THR A 73 25.446 7.918 -6.073 1.00 2.59 C ATOM 0 H THR A 73 23.437 7.117 -2.732 1.00 2.40 H new ATOM 0 HA THR A 73 25.547 8.940 -3.769 1.00 2.15 H new ATOM 0 HB THR A 73 23.769 9.228 -5.758 1.00 1.94 H new ATOM 0 HG1 THR A 73 23.002 7.109 -6.339 1.00 1.92 H new ATOM 0 HG21 THR A 73 25.201 7.734 -7.119 1.00 2.59 H new ATOM 0 HG22 THR A 73 26.180 8.721 -6.008 1.00 2.59 H new ATOM 0 HG23 THR A 73 25.861 7.011 -5.633 1.00 2.59 H new ATOM 1145 N ALA A 74 23.698 10.859 -3.705 1.00 1.59 N ATOM 1146 CA ALA A 74 22.799 11.929 -3.188 1.00 1.36 C ATOM 1147 C ALA A 74 21.534 11.994 -4.045 1.00 0.92 C ATOM 1148 O ALA A 74 20.468 12.338 -3.572 1.00 0.72 O ATOM 1149 CB ALA A 74 23.524 13.276 -3.247 1.00 1.44 C ATOM 0 H ALA A 74 24.388 11.166 -4.391 1.00 1.59 H new ATOM 0 HA ALA A 74 22.527 11.706 -2.156 1.00 1.36 H new ATOM 0 HB1 ALA A 74 22.867 14.060 -2.869 1.00 1.44 H new ATOM 0 HB2 ALA A 74 24.425 13.231 -2.635 1.00 1.44 H new ATOM 0 HB3 ALA A 74 23.797 13.498 -4.279 1.00 1.44 H new ATOM 1155 N GLN A 75 21.640 11.666 -5.302 1.00 0.91 N ATOM 1156 CA GLN A 75 20.443 11.709 -6.188 1.00 0.69 C ATOM 1157 C GLN A 75 19.437 10.649 -5.738 1.00 0.65 C ATOM 1158 O GLN A 75 18.302 10.948 -5.424 1.00 0.60 O ATOM 1159 CB GLN A 75 20.868 11.429 -7.630 1.00 1.07 C ATOM 1160 CG GLN A 75 20.130 12.380 -8.573 1.00 0.21 C ATOM 1161 CD GLN A 75 19.631 11.603 -9.792 1.00 1.29 C ATOM 1162 OE1 GLN A 75 18.483 11.207 -9.848 1.00 2.28 O ATOM 1163 NE2 GLN A 75 20.451 11.366 -10.779 1.00 1.58 N ATOM 0 H GLN A 75 22.505 11.370 -5.755 1.00 0.91 H new ATOM 0 HA GLN A 75 19.982 12.695 -6.129 1.00 0.69 H new ATOM 0 HB2 GLN A 75 21.945 11.559 -7.735 1.00 1.07 H new ATOM 0 HB3 GLN A 75 20.645 10.395 -7.892 1.00 1.07 H new ATOM 0 HG2 GLN A 75 19.290 12.844 -8.055 1.00 0.21 H new ATOM 0 HG3 GLN A 75 20.794 13.185 -8.888 1.00 0.21 H new ATOM 0 HE21 GLN A 75 21.414 11.698 -10.733 1.00 1.58 H new ATOM 0 HE22 GLN A 75 20.129 10.849 -11.597 1.00 1.58 H new ATOM 1172 N GLN A 76 19.844 9.410 -5.704 1.00 0.67 N ATOM 1173 CA GLN A 76 18.912 8.331 -5.273 1.00 0.63 C ATOM 1174 C GLN A 76 18.491 8.563 -3.819 1.00 0.57 C ATOM 1175 O GLN A 76 17.436 8.134 -3.395 1.00 0.53 O ATOM 1176 CB GLN A 76 19.613 6.976 -5.389 1.00 0.67 C ATOM 1177 CG GLN A 76 19.047 6.205 -6.583 1.00 0.46 C ATOM 1178 CD GLN A 76 19.494 4.744 -6.502 1.00 1.45 C ATOM 1179 OE1 GLN A 76 19.430 4.135 -5.453 1.00 2.40 O ATOM 1180 NE2 GLN A 76 19.946 4.151 -7.574 1.00 1.84 N ATOM 0 H GLN A 76 20.782 9.098 -5.956 1.00 0.67 H new ATOM 0 HA GLN A 76 18.028 8.342 -5.911 1.00 0.63 H new ATOM 0 HB2 GLN A 76 20.686 7.120 -5.512 1.00 0.67 H new ATOM 0 HB3 GLN A 76 19.471 6.403 -4.473 1.00 0.67 H new ATOM 0 HG2 GLN A 76 17.959 6.264 -6.585 1.00 0.46 H new ATOM 0 HG3 GLN A 76 19.393 6.652 -7.515 1.00 0.46 H new ATOM 0 HE21 GLN A 76 20.000 4.662 -8.455 1.00 1.84 H new ATOM 0 HE22 GLN A 76 20.245 3.177 -7.530 1.00 1.84 H new ATOM 1189 N PHE A 77 19.304 9.235 -3.048 1.00 0.56 N ATOM 1190 CA PHE A 77 18.941 9.482 -1.624 1.00 0.51 C ATOM 1191 C PHE A 77 17.737 10.426 -1.555 1.00 0.44 C ATOM 1192 O PHE A 77 16.884 10.295 -0.699 1.00 0.56 O ATOM 1193 CB PHE A 77 20.129 10.113 -0.894 1.00 0.55 C ATOM 1194 CG PHE A 77 19.726 10.441 0.524 1.00 1.11 C ATOM 1195 CD1 PHE A 77 19.035 9.495 1.290 1.00 2.16 C ATOM 1196 CD2 PHE A 77 20.042 11.690 1.070 1.00 1.81 C ATOM 1197 CE1 PHE A 77 18.661 9.797 2.605 1.00 2.97 C ATOM 1198 CE2 PHE A 77 19.666 11.993 2.385 1.00 2.46 C ATOM 1199 CZ PHE A 77 18.976 11.048 3.151 1.00 2.85 C ATOM 0 H PHE A 77 20.201 9.622 -3.342 1.00 0.56 H new ATOM 0 HA PHE A 77 18.685 8.535 -1.148 1.00 0.51 H new ATOM 0 HB2 PHE A 77 20.976 9.428 -0.894 1.00 0.55 H new ATOM 0 HB3 PHE A 77 20.450 11.017 -1.411 1.00 0.55 H new ATOM 0 HD1 PHE A 77 18.790 8.532 0.867 1.00 2.16 H new ATOM 0 HD2 PHE A 77 20.575 12.419 0.478 1.00 1.81 H new ATOM 0 HE1 PHE A 77 18.130 9.066 3.198 1.00 2.97 H new ATOM 0 HE2 PHE A 77 19.909 12.957 2.807 1.00 2.46 H new ATOM 0 HZ PHE A 77 18.686 11.283 4.164 1.00 2.85 H new ATOM 1209 N HIS A 78 17.659 11.377 -2.446 1.00 0.28 N ATOM 1210 CA HIS A 78 16.507 12.323 -2.423 1.00 0.22 C ATOM 1211 C HIS A 78 15.264 11.630 -2.986 1.00 0.26 C ATOM 1212 O HIS A 78 14.165 11.812 -2.502 1.00 0.22 O ATOM 1213 CB HIS A 78 16.834 13.551 -3.276 1.00 0.25 C ATOM 1214 CG HIS A 78 15.933 14.689 -2.883 1.00 0.43 C ATOM 1215 ND1 HIS A 78 14.837 15.060 -3.647 1.00 0.36 N ATOM 1216 CD2 HIS A 78 15.952 15.549 -1.813 1.00 1.08 C ATOM 1217 CE1 HIS A 78 14.246 16.101 -3.030 1.00 0.51 C ATOM 1218 NE2 HIS A 78 14.886 16.439 -1.907 1.00 1.04 N ATOM 0 H HIS A 78 18.341 11.540 -3.187 1.00 0.28 H new ATOM 0 HA HIS A 78 16.317 12.634 -1.396 1.00 0.22 H new ATOM 0 HB2 HIS A 78 17.877 13.835 -3.139 1.00 0.25 H new ATOM 0 HB3 HIS A 78 16.704 13.318 -4.333 1.00 0.25 H new ATOM 0 HD2 HIS A 78 16.683 15.537 -1.019 1.00 1.08 H new ATOM 0 HE1 HIS A 78 13.363 16.601 -3.398 1.00 0.51 H new ATOM 0 HE2 HIS A 78 14.645 17.188 -1.258 1.00 1.04 H new ATOM 1226 N ARG A 79 15.432 10.836 -4.006 1.00 0.37 N ATOM 1227 CA ARG A 79 14.262 10.129 -4.604 1.00 0.43 C ATOM 1228 C ARG A 79 13.721 9.089 -3.616 1.00 0.40 C ATOM 1229 O ARG A 79 12.569 8.706 -3.677 1.00 0.49 O ATOM 1230 CB ARG A 79 14.699 9.423 -5.891 1.00 0.53 C ATOM 1231 CG ARG A 79 14.216 10.215 -7.108 1.00 0.44 C ATOM 1232 CD ARG A 79 13.311 9.329 -7.966 1.00 0.93 C ATOM 1233 NE ARG A 79 12.180 8.821 -7.136 1.00 2.65 N ATOM 1234 CZ ARG A 79 11.120 8.281 -7.694 1.00 3.91 C ATOM 1235 NH1 ARG A 79 11.022 8.164 -8.998 1.00 3.76 N ATOM 1236 NH2 ARG A 79 10.148 7.846 -6.940 1.00 5.58 N ATOM 0 H ARG A 79 16.329 10.645 -4.453 1.00 0.37 H new ATOM 0 HA ARG A 79 13.480 10.855 -4.828 1.00 0.43 H new ATOM 0 HB2 ARG A 79 15.785 9.329 -5.914 1.00 0.53 H new ATOM 0 HB3 ARG A 79 14.291 8.412 -5.918 1.00 0.53 H new ATOM 0 HG2 ARG A 79 13.673 11.103 -6.785 1.00 0.44 H new ATOM 0 HG3 ARG A 79 15.069 10.558 -7.694 1.00 0.44 H new ATOM 0 HD2 ARG A 79 12.927 9.896 -8.814 1.00 0.93 H new ATOM 0 HD3 ARG A 79 13.881 8.494 -8.373 1.00 0.93 H new ATOM 0 HE ARG A 79 12.230 8.894 -6.120 1.00 2.65 H new ATOM 0 HH11 ARG A 79 11.777 8.495 -9.598 1.00 3.76 H new ATOM 0 HH12 ARG A 79 10.190 7.742 -9.411 1.00 3.76 H new ATOM 0 HH21 ARG A 79 10.214 7.926 -5.925 1.00 5.58 H new ATOM 0 HH22 ARG A 79 9.322 7.426 -7.365 1.00 5.58 H new ATOM 1250 N HIS A 80 14.540 8.624 -2.712 1.00 0.33 N ATOM 1251 CA HIS A 80 14.065 7.607 -1.732 1.00 0.31 C ATOM 1252 C HIS A 80 13.336 8.301 -0.579 1.00 0.26 C ATOM 1253 O HIS A 80 12.322 7.833 -0.103 1.00 0.20 O ATOM 1254 CB HIS A 80 15.269 6.835 -1.186 1.00 0.32 C ATOM 1255 CG HIS A 80 14.802 5.799 -0.200 1.00 0.37 C ATOM 1256 ND1 HIS A 80 13.791 4.898 -0.496 1.00 0.23 N ATOM 1257 CD2 HIS A 80 15.200 5.508 1.081 1.00 0.99 C ATOM 1258 CE1 HIS A 80 13.617 4.115 0.584 1.00 0.22 C ATOM 1259 NE2 HIS A 80 14.451 4.444 1.575 1.00 0.92 N ATOM 0 H HIS A 80 15.516 8.904 -2.610 1.00 0.33 H new ATOM 0 HA HIS A 80 13.379 6.918 -2.225 1.00 0.31 H new ATOM 0 HB2 HIS A 80 15.807 6.356 -2.004 1.00 0.32 H new ATOM 0 HB3 HIS A 80 15.966 7.521 -0.705 1.00 0.32 H new ATOM 0 HD2 HIS A 80 15.977 6.026 1.624 1.00 0.99 H new ATOM 0 HE1 HIS A 80 12.891 3.317 0.643 1.00 0.22 H new ATOM 0 HE2 HIS A 80 14.523 4.009 2.495 1.00 0.92 H new ATOM 1267 N LYS A 81 13.845 9.414 -0.123 1.00 0.31 N ATOM 1268 CA LYS A 81 13.184 10.134 1.003 1.00 0.27 C ATOM 1269 C LYS A 81 11.745 10.490 0.623 1.00 0.25 C ATOM 1270 O LYS A 81 10.871 10.561 1.464 1.00 0.20 O ATOM 1271 CB LYS A 81 13.958 11.417 1.313 1.00 0.32 C ATOM 1272 CG LYS A 81 13.748 11.801 2.779 1.00 0.40 C ATOM 1273 CD LYS A 81 14.084 13.281 2.978 1.00 0.69 C ATOM 1274 CE LYS A 81 15.586 13.435 3.226 1.00 0.94 C ATOM 1275 NZ LYS A 81 16.115 14.549 2.389 1.00 2.18 N ATOM 0 H LYS A 81 14.691 9.856 -0.482 1.00 0.31 H new ATOM 0 HA LYS A 81 13.174 9.489 1.881 1.00 0.27 H new ATOM 0 HB2 LYS A 81 15.020 11.271 1.113 1.00 0.32 H new ATOM 0 HB3 LYS A 81 13.620 12.224 0.663 1.00 0.32 H new ATOM 0 HG2 LYS A 81 12.715 11.610 3.071 1.00 0.40 H new ATOM 0 HG3 LYS A 81 14.379 11.186 3.420 1.00 0.40 H new ATOM 0 HD2 LYS A 81 13.789 13.853 2.098 1.00 0.69 H new ATOM 0 HD3 LYS A 81 13.522 13.682 3.822 1.00 0.69 H new ATOM 0 HE2 LYS A 81 15.773 13.638 4.281 1.00 0.94 H new ATOM 0 HE3 LYS A 81 16.103 12.506 2.984 1.00 0.94 H new ATOM 0 HZ1 LYS A 81 17.136 14.655 2.557 1.00 2.18 H new ATOM 0 HZ2 LYS A 81 15.949 14.337 1.384 1.00 2.18 H new ATOM 0 HZ3 LYS A 81 15.629 15.433 2.641 1.00 2.18 H new ATOM 1289 N GLN A 82 11.489 10.722 -0.635 1.00 0.30 N ATOM 1290 CA GLN A 82 10.106 11.080 -1.060 1.00 0.32 C ATOM 1291 C GLN A 82 9.213 9.837 -1.009 1.00 0.26 C ATOM 1292 O GLN A 82 8.038 9.914 -0.707 1.00 0.26 O ATOM 1293 CB GLN A 82 10.135 11.629 -2.489 1.00 0.39 C ATOM 1294 CG GLN A 82 9.681 13.090 -2.485 1.00 0.32 C ATOM 1295 CD GLN A 82 10.355 13.841 -3.637 1.00 1.42 C ATOM 1296 OE1 GLN A 82 11.408 13.448 -4.099 1.00 2.55 O ATOM 1297 NE2 GLN A 82 9.786 14.911 -4.125 1.00 1.60 N ATOM 0 H GLN A 82 12.177 10.679 -1.387 1.00 0.30 H new ATOM 0 HA GLN A 82 9.708 11.839 -0.387 1.00 0.32 H new ATOM 0 HB2 GLN A 82 11.142 11.551 -2.899 1.00 0.39 H new ATOM 0 HB3 GLN A 82 9.483 11.036 -3.131 1.00 0.39 H new ATOM 0 HG2 GLN A 82 8.597 13.145 -2.587 1.00 0.32 H new ATOM 0 HG3 GLN A 82 9.936 13.558 -1.534 1.00 0.32 H new ATOM 0 HE21 GLN A 82 8.902 15.241 -3.737 1.00 1.60 H new ATOM 0 HE22 GLN A 82 10.226 15.417 -4.894 1.00 1.60 H new ATOM 1306 N LEU A 83 9.763 8.691 -1.306 1.00 0.24 N ATOM 1307 CA LEU A 83 8.948 7.443 -1.282 1.00 0.19 C ATOM 1308 C LEU A 83 8.541 7.115 0.157 1.00 0.19 C ATOM 1309 O LEU A 83 7.471 6.596 0.404 1.00 0.21 O ATOM 1310 CB LEU A 83 9.774 6.288 -1.854 1.00 0.16 C ATOM 1311 CG LEU A 83 8.906 5.031 -1.954 1.00 0.09 C ATOM 1312 CD1 LEU A 83 9.236 4.281 -3.245 1.00 0.50 C ATOM 1313 CD2 LEU A 83 9.185 4.120 -0.756 1.00 0.54 C ATOM 0 H LEU A 83 10.742 8.565 -1.564 1.00 0.24 H new ATOM 0 HA LEU A 83 8.051 7.587 -1.884 1.00 0.19 H new ATOM 0 HB2 LEU A 83 10.158 6.556 -2.839 1.00 0.16 H new ATOM 0 HB3 LEU A 83 10.637 6.095 -1.217 1.00 0.16 H new ATOM 0 HG LEU A 83 7.855 5.319 -1.958 1.00 0.09 H new ATOM 0 HD11 LEU A 83 8.617 3.386 -3.314 1.00 0.50 H new ATOM 0 HD12 LEU A 83 9.039 4.926 -4.101 1.00 0.50 H new ATOM 0 HD13 LEU A 83 10.288 3.995 -3.241 1.00 0.50 H new ATOM 0 HD21 LEU A 83 8.567 3.225 -0.828 1.00 0.54 H new ATOM 0 HD22 LEU A 83 10.237 3.835 -0.753 1.00 0.54 H new ATOM 0 HD23 LEU A 83 8.950 4.650 0.167 1.00 0.54 H new ATOM 1325 N ILE A 84 9.386 7.404 1.109 1.00 0.22 N ATOM 1326 CA ILE A 84 9.041 7.096 2.527 1.00 0.23 C ATOM 1327 C ILE A 84 7.890 7.987 2.993 1.00 0.20 C ATOM 1328 O ILE A 84 6.943 7.525 3.595 1.00 0.16 O ATOM 1329 CB ILE A 84 10.264 7.335 3.414 1.00 0.26 C ATOM 1330 CG1 ILE A 84 11.466 6.584 2.838 1.00 0.31 C ATOM 1331 CG2 ILE A 84 9.975 6.826 4.827 1.00 0.22 C ATOM 1332 CD1 ILE A 84 11.061 5.146 2.514 1.00 0.28 C ATOM 0 H ILE A 84 10.298 7.839 0.967 1.00 0.22 H new ATOM 0 HA ILE A 84 8.735 6.053 2.600 1.00 0.23 H new ATOM 0 HB ILE A 84 10.485 8.402 3.449 1.00 0.26 H new ATOM 0 HG12 ILE A 84 11.823 7.084 1.938 1.00 0.31 H new ATOM 0 HG13 ILE A 84 12.288 6.589 3.553 1.00 0.31 H new ATOM 0 HG21 ILE A 84 10.846 6.996 5.460 1.00 0.22 H new ATOM 0 HG22 ILE A 84 9.118 7.360 5.238 1.00 0.22 H new ATOM 0 HG23 ILE A 84 9.755 5.759 4.791 1.00 0.22 H new ATOM 0 HD11 ILE A 84 11.917 4.611 2.104 1.00 0.28 H new ATOM 0 HD12 ILE A 84 10.724 4.649 3.424 1.00 0.28 H new ATOM 0 HD13 ILE A 84 10.252 5.152 1.783 1.00 0.28 H new ATOM 1344 N ARG A 85 7.963 9.262 2.730 1.00 0.30 N ATOM 1345 CA ARG A 85 6.870 10.174 3.171 1.00 0.27 C ATOM 1346 C ARG A 85 5.538 9.715 2.568 1.00 0.25 C ATOM 1347 O ARG A 85 4.508 9.753 3.214 1.00 0.29 O ATOM 1348 CB ARG A 85 7.178 11.599 2.708 1.00 0.28 C ATOM 1349 CG ARG A 85 7.694 12.419 3.893 1.00 0.65 C ATOM 1350 CD ARG A 85 9.176 12.114 4.119 1.00 1.95 C ATOM 1351 NE ARG A 85 9.608 12.685 5.428 1.00 2.73 N ATOM 1352 CZ ARG A 85 10.743 12.323 5.981 1.00 4.14 C ATOM 1353 NH1 ARG A 85 11.536 11.454 5.400 1.00 5.10 N ATOM 1354 NH2 ARG A 85 11.090 12.839 7.128 1.00 4.78 N ATOM 0 H ARG A 85 8.730 9.711 2.230 1.00 0.30 H new ATOM 0 HA ARG A 85 6.798 10.152 4.258 1.00 0.27 H new ATOM 0 HB2 ARG A 85 7.923 11.581 1.912 1.00 0.28 H new ATOM 0 HB3 ARG A 85 6.281 12.061 2.295 1.00 0.28 H new ATOM 0 HG2 ARG A 85 7.556 13.483 3.700 1.00 0.65 H new ATOM 0 HG3 ARG A 85 7.122 12.181 4.790 1.00 0.65 H new ATOM 0 HD2 ARG A 85 9.342 11.037 4.108 1.00 1.95 H new ATOM 0 HD3 ARG A 85 9.773 12.537 3.311 1.00 1.95 H new ATOM 0 HE ARG A 85 9.013 13.366 5.900 1.00 2.73 H new ATOM 0 HH11 ARG A 85 11.275 11.046 4.502 1.00 5.10 H new ATOM 0 HH12 ARG A 85 12.413 11.186 5.846 1.00 5.10 H new ATOM 0 HH21 ARG A 85 10.482 13.517 7.587 1.00 4.78 H new ATOM 0 HH22 ARG A 85 11.969 12.564 7.566 1.00 4.78 H new ATOM 1368 N PHE A 86 5.551 9.284 1.339 1.00 0.25 N ATOM 1369 CA PHE A 86 4.286 8.825 0.695 1.00 0.25 C ATOM 1370 C PHE A 86 3.808 7.526 1.352 1.00 0.27 C ATOM 1371 O PHE A 86 2.626 7.248 1.412 1.00 0.32 O ATOM 1372 CB PHE A 86 4.533 8.582 -0.795 1.00 0.28 C ATOM 1373 CG PHE A 86 3.658 9.505 -1.607 1.00 0.20 C ATOM 1374 CD1 PHE A 86 2.291 9.239 -1.737 1.00 0.28 C ATOM 1375 CD2 PHE A 86 4.214 10.631 -2.229 1.00 0.41 C ATOM 1376 CE1 PHE A 86 1.478 10.095 -2.489 1.00 0.37 C ATOM 1377 CE2 PHE A 86 3.401 11.488 -2.980 1.00 0.38 C ATOM 1378 CZ PHE A 86 2.033 11.220 -3.110 1.00 0.26 C ATOM 0 H PHE A 86 6.382 9.229 0.751 1.00 0.25 H new ATOM 0 HA PHE A 86 3.521 9.592 0.820 1.00 0.25 H new ATOM 0 HB2 PHE A 86 5.582 8.755 -1.034 1.00 0.28 H new ATOM 0 HB3 PHE A 86 4.316 7.544 -1.046 1.00 0.28 H new ATOM 0 HD1 PHE A 86 1.862 8.372 -1.257 1.00 0.28 H new ATOM 0 HD2 PHE A 86 5.269 10.837 -2.129 1.00 0.41 H new ATOM 0 HE1 PHE A 86 0.423 9.888 -2.590 1.00 0.37 H new ATOM 0 HE2 PHE A 86 3.829 12.356 -3.459 1.00 0.38 H new ATOM 0 HZ PHE A 86 1.406 11.881 -3.689 1.00 0.26 H new ATOM 1388 N LEU A 87 4.717 6.726 1.840 1.00 0.36 N ATOM 1389 CA LEU A 87 4.313 5.442 2.486 1.00 0.37 C ATOM 1390 C LEU A 87 3.618 5.731 3.819 1.00 0.23 C ATOM 1391 O LEU A 87 2.692 5.046 4.208 1.00 0.28 O ATOM 1392 CB LEU A 87 5.556 4.584 2.737 1.00 0.47 C ATOM 1393 CG LEU A 87 5.372 3.216 2.082 1.00 0.48 C ATOM 1394 CD1 LEU A 87 4.096 2.563 2.616 1.00 1.18 C ATOM 1395 CD2 LEU A 87 5.261 3.392 0.567 1.00 1.96 C ATOM 0 H LEU A 87 5.721 6.905 1.820 1.00 0.36 H new ATOM 0 HA LEU A 87 3.627 4.909 1.828 1.00 0.37 H new ATOM 0 HB2 LEU A 87 6.439 5.077 2.331 1.00 0.47 H new ATOM 0 HB3 LEU A 87 5.720 4.467 3.808 1.00 0.47 H new ATOM 0 HG LEU A 87 6.227 2.581 2.314 1.00 0.48 H new ATOM 0 HD11 LEU A 87 3.964 1.587 2.149 1.00 1.18 H new ATOM 0 HD12 LEU A 87 4.174 2.441 3.696 1.00 1.18 H new ATOM 0 HD13 LEU A 87 3.239 3.195 2.384 1.00 1.18 H new ATOM 0 HD21 LEU A 87 5.130 2.418 0.096 1.00 1.96 H new ATOM 0 HD22 LEU A 87 4.404 4.025 0.336 1.00 1.96 H new ATOM 0 HD23 LEU A 87 6.170 3.859 0.187 1.00 1.96 H new ATOM 1407 N LYS A 88 4.055 6.736 4.521 1.00 0.14 N ATOM 1408 CA LYS A 88 3.418 7.063 5.826 1.00 0.10 C ATOM 1409 C LYS A 88 2.003 7.586 5.581 1.00 0.14 C ATOM 1410 O LYS A 88 1.074 7.249 6.289 1.00 0.27 O ATOM 1411 CB LYS A 88 4.248 8.130 6.542 1.00 0.21 C ATOM 1412 CG LYS A 88 5.657 7.588 6.792 1.00 0.12 C ATOM 1413 CD LYS A 88 6.307 8.362 7.942 1.00 0.30 C ATOM 1414 CE LYS A 88 7.829 8.298 7.807 1.00 1.36 C ATOM 1415 NZ LYS A 88 8.309 9.476 7.029 1.00 2.37 N ATOM 0 H LYS A 88 4.826 7.346 4.248 1.00 0.14 H new ATOM 0 HA LYS A 88 3.369 6.168 6.447 1.00 0.10 H new ATOM 0 HB2 LYS A 88 4.296 9.036 5.938 1.00 0.21 H new ATOM 0 HB3 LYS A 88 3.777 8.401 7.487 1.00 0.21 H new ATOM 0 HG2 LYS A 88 5.612 6.526 7.034 1.00 0.12 H new ATOM 0 HG3 LYS A 88 6.260 7.683 5.889 1.00 0.12 H new ATOM 0 HD2 LYS A 88 5.974 9.400 7.929 1.00 0.30 H new ATOM 0 HD3 LYS A 88 5.998 7.940 8.898 1.00 0.30 H new ATOM 0 HE2 LYS A 88 8.292 8.287 8.794 1.00 1.36 H new ATOM 0 HE3 LYS A 88 8.122 7.375 7.307 1.00 1.36 H new ATOM 0 HZ1 LYS A 88 9.344 9.433 6.937 1.00 2.37 H new ATOM 0 HZ2 LYS A 88 7.877 9.467 6.083 1.00 2.37 H new ATOM 0 HZ3 LYS A 88 8.042 10.351 7.524 1.00 2.37 H new ATOM 1429 N ARG A 89 1.827 8.402 4.578 1.00 0.17 N ATOM 1430 CA ARG A 89 0.468 8.938 4.286 1.00 0.29 C ATOM 1431 C ARG A 89 -0.477 7.775 3.976 1.00 0.31 C ATOM 1432 O ARG A 89 -1.578 7.702 4.486 1.00 0.38 O ATOM 1433 CB ARG A 89 0.537 9.876 3.080 1.00 0.36 C ATOM 1434 CG ARG A 89 -0.078 11.228 3.449 1.00 0.75 C ATOM 1435 CD ARG A 89 1.035 12.208 3.825 1.00 2.02 C ATOM 1436 NE ARG A 89 1.191 13.225 2.743 1.00 2.50 N ATOM 1437 CZ ARG A 89 1.883 14.324 2.941 1.00 3.60 C ATOM 1438 NH1 ARG A 89 2.472 14.557 4.090 1.00 4.45 N ATOM 1439 NH2 ARG A 89 1.988 15.198 1.978 1.00 4.00 N ATOM 0 H ARG A 89 2.564 8.720 3.949 1.00 0.17 H new ATOM 0 HA ARG A 89 0.098 9.489 5.151 1.00 0.29 H new ATOM 0 HB2 ARG A 89 1.573 10.009 2.768 1.00 0.36 H new ATOM 0 HB3 ARG A 89 0.003 9.440 2.236 1.00 0.36 H new ATOM 0 HG2 ARG A 89 -0.654 11.619 2.610 1.00 0.75 H new ATOM 0 HG3 ARG A 89 -0.770 11.110 4.283 1.00 0.75 H new ATOM 0 HD2 ARG A 89 0.798 12.699 4.769 1.00 2.02 H new ATOM 0 HD3 ARG A 89 1.972 11.671 3.972 1.00 2.02 H new ATOM 0 HE ARG A 89 0.753 13.064 1.836 1.00 2.50 H new ATOM 0 HH11 ARG A 89 2.397 13.879 4.848 1.00 4.45 H new ATOM 0 HH12 ARG A 89 3.005 15.416 4.225 1.00 4.45 H new ATOM 0 HH21 ARG A 89 1.535 15.025 1.081 1.00 4.00 H new ATOM 0 HH22 ARG A 89 2.523 16.054 2.122 1.00 4.00 H new ATOM 1453 N LEU A 90 -0.052 6.866 3.144 1.00 0.28 N ATOM 1454 CA LEU A 90 -0.915 5.702 2.794 1.00 0.31 C ATOM 1455 C LEU A 90 -0.977 4.714 3.968 1.00 0.28 C ATOM 1456 O LEU A 90 -1.799 3.824 3.991 1.00 0.31 O ATOM 1457 CB LEU A 90 -0.333 4.995 1.567 1.00 0.34 C ATOM 1458 CG LEU A 90 -1.300 3.914 1.086 1.00 0.60 C ATOM 1459 CD1 LEU A 90 -2.624 4.560 0.675 1.00 0.71 C ATOM 1460 CD2 LEU A 90 -0.695 3.183 -0.115 1.00 0.94 C ATOM 0 H LEU A 90 0.861 6.879 2.689 1.00 0.28 H new ATOM 0 HA LEU A 90 -1.922 6.058 2.577 1.00 0.31 H new ATOM 0 HB2 LEU A 90 -0.155 5.717 0.770 1.00 0.34 H new ATOM 0 HB3 LEU A 90 0.630 4.550 1.815 1.00 0.34 H new ATOM 0 HG LEU A 90 -1.477 3.202 1.892 1.00 0.60 H new ATOM 0 HD11 LEU A 90 -3.314 3.789 0.332 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.056 5.079 1.530 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -2.447 5.273 -0.130 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -1.385 2.412 -0.457 1.00 0.94 H new ATOM 0 HD22 LEU A 90 -0.516 3.894 -0.921 1.00 0.94 H new ATOM 0 HD23 LEU A 90 0.248 2.721 0.177 1.00 0.94 H new ATOM 1472 N ASP A 91 -0.116 4.848 4.939 1.00 0.25 N ATOM 1473 CA ASP A 91 -0.142 3.898 6.086 1.00 0.24 C ATOM 1474 C ASP A 91 -1.370 4.163 6.967 1.00 0.25 C ATOM 1475 O ASP A 91 -2.047 3.248 7.387 1.00 0.26 O ATOM 1476 CB ASP A 91 1.127 4.077 6.919 1.00 0.25 C ATOM 1477 CG ASP A 91 2.267 3.273 6.291 1.00 1.90 C ATOM 1478 OD1 ASP A 91 2.016 2.156 5.869 1.00 2.64 O ATOM 1479 OD2 ASP A 91 3.372 3.787 6.243 1.00 2.87 O ATOM 0 H ASP A 91 0.602 5.571 4.988 1.00 0.25 H new ATOM 0 HA ASP A 91 -0.194 2.879 5.702 1.00 0.24 H new ATOM 0 HB2 ASP A 91 1.396 5.132 6.969 1.00 0.25 H new ATOM 0 HB3 ASP A 91 0.953 3.744 7.942 1.00 0.25 H new ATOM 1484 N ARG A 92 -1.653 5.402 7.265 1.00 0.32 N ATOM 1485 CA ARG A 92 -2.828 5.706 8.136 1.00 0.34 C ATOM 1486 C ARG A 92 -4.089 5.910 7.289 1.00 0.31 C ATOM 1487 O ARG A 92 -5.188 5.669 7.741 1.00 0.30 O ATOM 1488 CB ARG A 92 -2.549 6.977 8.944 1.00 0.43 C ATOM 1489 CG ARG A 92 -3.512 7.050 10.131 1.00 1.00 C ATOM 1490 CD ARG A 92 -2.719 7.242 11.425 1.00 1.15 C ATOM 1491 NE ARG A 92 -3.617 7.791 12.483 1.00 1.57 N ATOM 1492 CZ ARG A 92 -3.264 7.768 13.749 1.00 1.46 C ATOM 1493 NH1 ARG A 92 -2.113 7.266 14.126 1.00 1.82 N ATOM 1494 NH2 ARG A 92 -4.075 8.258 14.647 1.00 2.04 N ATOM 0 H ARG A 92 -1.125 6.214 6.946 1.00 0.32 H new ATOM 0 HA ARG A 92 -2.990 4.865 8.810 1.00 0.34 H new ATOM 0 HB2 ARG A 92 -1.518 6.976 9.298 1.00 0.43 H new ATOM 0 HB3 ARG A 92 -2.668 7.856 8.311 1.00 0.43 H new ATOM 0 HG2 ARG A 92 -4.211 7.876 9.995 1.00 1.00 H new ATOM 0 HG3 ARG A 92 -4.105 6.137 10.188 1.00 1.00 H new ATOM 0 HD2 ARG A 92 -2.296 6.291 11.749 1.00 1.15 H new ATOM 0 HD3 ARG A 92 -1.883 7.921 11.254 1.00 1.15 H new ATOM 0 HE ARG A 92 -4.518 8.190 12.220 1.00 1.57 H new ATOM 0 HH11 ARG A 92 -1.472 6.883 13.431 1.00 1.82 H new ATOM 0 HH12 ARG A 92 -1.859 7.258 15.114 1.00 1.82 H new ATOM 0 HH21 ARG A 92 -4.972 8.653 14.363 1.00 2.04 H new ATOM 0 HH22 ARG A 92 -3.812 8.246 15.632 1.00 2.04 H new ATOM 1508 N ASN A 93 -3.949 6.360 6.071 1.00 0.32 N ATOM 1509 CA ASN A 93 -5.154 6.586 5.219 1.00 0.30 C ATOM 1510 C ASN A 93 -5.618 5.267 4.595 1.00 0.41 C ATOM 1511 O ASN A 93 -6.776 5.102 4.267 1.00 0.60 O ATOM 1512 CB ASN A 93 -4.817 7.579 4.105 1.00 0.30 C ATOM 1513 CG ASN A 93 -4.243 8.862 4.711 1.00 0.75 C ATOM 1514 OD1 ASN A 93 -3.325 9.444 4.168 1.00 1.79 O ATOM 1515 ND2 ASN A 93 -4.747 9.334 5.818 1.00 1.11 N ATOM 0 H ASN A 93 -3.056 6.580 5.630 1.00 0.32 H new ATOM 0 HA ASN A 93 -5.953 6.987 5.842 1.00 0.30 H new ATOM 0 HB2 ASN A 93 -4.097 7.137 3.417 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -5.712 7.808 3.526 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -4.370 10.190 6.226 1.00 1.11 H new ATOM 0 HD22 ASN A 93 -5.518 8.847 6.276 1.00 1.11 H new ATOM 1522 N LEU A 94 -4.731 4.327 4.421 1.00 0.38 N ATOM 1523 CA LEU A 94 -5.139 3.030 3.808 1.00 0.51 C ATOM 1524 C LEU A 94 -6.126 2.309 4.729 1.00 0.43 C ATOM 1525 O LEU A 94 -7.272 2.100 4.383 1.00 0.60 O ATOM 1526 CB LEU A 94 -3.908 2.149 3.591 1.00 0.55 C ATOM 1527 CG LEU A 94 -4.355 0.761 3.135 1.00 0.94 C ATOM 1528 CD1 LEU A 94 -5.325 0.897 1.962 1.00 1.19 C ATOM 1529 CD2 LEU A 94 -3.134 -0.050 2.696 1.00 1.19 C ATOM 0 H LEU A 94 -3.746 4.399 4.675 1.00 0.38 H new ATOM 0 HA LEU A 94 -5.617 3.226 2.848 1.00 0.51 H new ATOM 0 HB2 LEU A 94 -3.253 2.597 2.843 1.00 0.55 H new ATOM 0 HB3 LEU A 94 -3.333 2.074 4.514 1.00 0.55 H new ATOM 0 HG LEU A 94 -4.852 0.251 3.960 1.00 0.94 H new ATOM 0 HD11 LEU A 94 -5.644 -0.093 1.637 1.00 1.19 H new ATOM 0 HD12 LEU A 94 -6.195 1.474 2.275 1.00 1.19 H new ATOM 0 HD13 LEU A 94 -4.829 1.408 1.137 1.00 1.19 H new ATOM 0 HD21 LEU A 94 -3.453 -1.040 2.371 1.00 1.19 H new ATOM 0 HD22 LEU A 94 -2.636 0.460 1.871 1.00 1.19 H new ATOM 0 HD23 LEU A 94 -2.442 -0.148 3.533 1.00 1.19 H new ATOM 1541 N TRP A 95 -5.695 1.928 5.901 1.00 0.26 N ATOM 1542 CA TRP A 95 -6.621 1.223 6.834 1.00 0.41 C ATOM 1543 C TRP A 95 -7.423 2.239 7.651 1.00 0.50 C ATOM 1544 O TRP A 95 -8.424 1.908 8.248 1.00 0.62 O ATOM 1545 CB TRP A 95 -5.823 0.338 7.781 1.00 0.45 C ATOM 1546 CG TRP A 95 -5.280 1.161 8.897 1.00 0.60 C ATOM 1547 CD1 TRP A 95 -4.041 1.683 8.923 1.00 1.33 C ATOM 1548 CD2 TRP A 95 -5.923 1.560 10.142 1.00 1.22 C ATOM 1549 NE1 TRP A 95 -3.872 2.382 10.104 1.00 1.71 N ATOM 1550 CE2 TRP A 95 -5.007 2.337 10.890 1.00 1.54 C ATOM 1551 CE3 TRP A 95 -7.199 1.329 10.688 1.00 2.07 C ATOM 1552 CZ2 TRP A 95 -5.344 2.862 12.138 1.00 2.11 C ATOM 1553 CZ3 TRP A 95 -7.541 1.857 11.943 1.00 2.74 C ATOM 1554 CH2 TRP A 95 -6.615 2.623 12.666 1.00 2.61 C ATOM 0 H TRP A 95 -4.748 2.073 6.252 1.00 0.26 H new ATOM 0 HA TRP A 95 -7.307 0.610 6.249 1.00 0.41 H new ATOM 0 HB2 TRP A 95 -6.458 -0.455 8.176 1.00 0.45 H new ATOM 0 HB3 TRP A 95 -5.008 -0.146 7.243 1.00 0.45 H new ATOM 0 HD1 TRP A 95 -3.298 1.574 8.147 1.00 1.33 H new ATOM 0 HE1 TRP A 95 -3.015 2.871 10.363 1.00 1.71 H new ATOM 0 HE3 TRP A 95 -7.920 0.742 10.138 1.00 2.07 H new ATOM 0 HZ2 TRP A 95 -4.627 3.449 12.692 1.00 2.11 H new ATOM 0 HZ3 TRP A 95 -8.523 1.672 12.354 1.00 2.74 H new ATOM 0 HH2 TRP A 95 -6.884 3.028 13.630 1.00 2.61 H new ATOM 1565 N GLY A 96 -6.991 3.469 7.688 1.00 0.46 N ATOM 1566 CA GLY A 96 -7.749 4.497 8.462 1.00 0.57 C ATOM 1567 C GLY A 96 -9.205 4.484 7.993 1.00 0.80 C ATOM 1568 O GLY A 96 -10.120 4.712 8.757 1.00 0.97 O ATOM 0 H GLY A 96 -6.151 3.808 7.219 1.00 0.46 H new ATOM 0 HA2 GLY A 96 -7.693 4.284 9.530 1.00 0.57 H new ATOM 0 HA3 GLY A 96 -7.311 5.484 8.310 1.00 0.57 H new ATOM 1572 N LEU A 97 -9.419 4.191 6.738 1.00 0.82 N ATOM 1573 CA LEU A 97 -10.807 4.128 6.204 1.00 1.04 C ATOM 1574 C LEU A 97 -11.408 2.775 6.588 1.00 1.03 C ATOM 1575 O LEU A 97 -12.589 2.655 6.848 1.00 1.13 O ATOM 1576 CB LEU A 97 -10.768 4.259 4.679 1.00 1.12 C ATOM 1577 CG LEU A 97 -11.910 5.158 4.207 1.00 1.20 C ATOM 1578 CD1 LEU A 97 -11.414 6.051 3.067 1.00 1.94 C ATOM 1579 CD2 LEU A 97 -13.067 4.289 3.710 1.00 0.98 C ATOM 0 H LEU A 97 -8.686 3.992 6.057 1.00 0.82 H new ATOM 0 HA LEU A 97 -11.411 4.936 6.617 1.00 1.04 H new ATOM 0 HB2 LEU A 97 -9.811 4.676 4.365 1.00 1.12 H new ATOM 0 HB3 LEU A 97 -10.853 3.275 4.218 1.00 1.12 H new ATOM 0 HG LEU A 97 -12.252 5.781 5.034 1.00 1.20 H new ATOM 0 HD11 LEU A 97 -12.227 6.694 2.728 1.00 1.94 H new ATOM 0 HD12 LEU A 97 -10.588 6.667 3.421 1.00 1.94 H new ATOM 0 HD13 LEU A 97 -11.074 5.429 2.239 1.00 1.94 H new ATOM 0 HD21 LEU A 97 -13.883 4.928 3.373 1.00 0.98 H new ATOM 0 HD22 LEU A 97 -12.726 3.668 2.882 1.00 0.98 H new ATOM 0 HD23 LEU A 97 -13.417 3.651 4.521 1.00 0.98 H new ATOM 1591 N ALA A 98 -10.589 1.756 6.627 1.00 0.91 N ATOM 1592 CA ALA A 98 -11.074 0.398 6.999 1.00 0.90 C ATOM 1593 C ALA A 98 -11.852 0.476 8.313 1.00 1.10 C ATOM 1594 O ALA A 98 -13.000 0.088 8.394 1.00 1.27 O ATOM 1595 CB ALA A 98 -9.867 -0.531 7.176 1.00 0.62 C ATOM 0 H ALA A 98 -9.593 1.810 6.414 1.00 0.91 H new ATOM 0 HA ALA A 98 -11.727 0.012 6.216 1.00 0.90 H new ATOM 0 HB1 ALA A 98 -10.212 -1.528 7.449 1.00 0.62 H new ATOM 0 HB2 ALA A 98 -9.308 -0.583 6.242 1.00 0.62 H new ATOM 0 HB3 ALA A 98 -9.221 -0.143 7.964 1.00 0.62 H new ATOM 1601 N GLY A 99 -11.233 0.980 9.342 1.00 1.11 N ATOM 1602 CA GLY A 99 -11.930 1.089 10.654 1.00 1.37 C ATOM 1603 C GLY A 99 -11.550 -0.104 11.534 1.00 1.23 C ATOM 1604 O GLY A 99 -12.324 -0.550 12.358 1.00 1.25 O ATOM 0 H GLY A 99 -10.272 1.322 9.332 1.00 1.11 H new ATOM 0 HA2 GLY A 99 -11.655 2.021 11.148 1.00 1.37 H new ATOM 0 HA3 GLY A 99 -13.009 1.114 10.504 1.00 1.37 H new ATOM 1608 N LEU A 100 -10.366 -0.624 11.366 1.00 1.18 N ATOM 1609 CA LEU A 100 -9.941 -1.789 12.191 1.00 1.04 C ATOM 1610 C LEU A 100 -8.469 -1.631 12.580 1.00 1.36 C ATOM 1611 O LEU A 100 -7.671 -1.115 11.825 1.00 1.98 O ATOM 1612 CB LEU A 100 -10.116 -3.074 11.383 1.00 1.14 C ATOM 1613 CG LEU A 100 -10.768 -4.143 12.261 1.00 0.99 C ATOM 1614 CD1 LEU A 100 -12.256 -3.830 12.428 1.00 2.17 C ATOM 1615 CD2 LEU A 100 -10.608 -5.511 11.595 1.00 1.33 C ATOM 0 H LEU A 100 -9.675 -0.293 10.693 1.00 1.18 H new ATOM 0 HA LEU A 100 -10.552 -1.837 13.092 1.00 1.04 H new ATOM 0 HB2 LEU A 100 -10.733 -2.883 10.505 1.00 1.14 H new ATOM 0 HB3 LEU A 100 -9.149 -3.424 11.023 1.00 1.14 H new ATOM 0 HG LEU A 100 -10.288 -4.153 13.239 1.00 0.99 H new ATOM 0 HD11 LEU A 100 -12.720 -4.592 13.054 1.00 2.17 H new ATOM 0 HD12 LEU A 100 -12.372 -2.854 12.899 1.00 2.17 H new ATOM 0 HD13 LEU A 100 -12.738 -3.821 11.450 1.00 2.17 H new ATOM 0 HD21 LEU A 100 -11.072 -6.276 12.218 1.00 1.33 H new ATOM 0 HD22 LEU A 100 -11.090 -5.498 10.617 1.00 1.33 H new ATOM 0 HD23 LEU A 100 -9.548 -5.735 11.474 1.00 1.33 H new ATOM 1627 N ASN A 101 -8.102 -2.073 13.751 1.00 1.20 N ATOM 1628 CA ASN A 101 -6.681 -1.945 14.180 1.00 1.72 C ATOM 1629 C ASN A 101 -6.002 -3.315 14.121 1.00 1.16 C ATOM 1630 O ASN A 101 -5.153 -3.564 13.288 1.00 1.26 O ATOM 1631 CB ASN A 101 -6.629 -1.411 15.612 1.00 2.40 C ATOM 1632 CG ASN A 101 -5.977 -0.028 15.615 1.00 3.91 C ATOM 1633 OD1 ASN A 101 -6.341 0.830 14.835 1.00 4.81 O ATOM 1634 ND2 ASN A 101 -5.021 0.228 16.464 1.00 4.32 N ATOM 0 H ASN A 101 -8.723 -2.516 14.428 1.00 1.20 H new ATOM 0 HA ASN A 101 -6.162 -1.255 13.515 1.00 1.72 H new ATOM 0 HB2 ASN A 101 -7.635 -1.352 16.026 1.00 2.40 H new ATOM 0 HB3 ASN A 101 -6.063 -2.093 16.246 1.00 2.40 H new ATOM 0 HD21 ASN A 101 -4.580 1.148 16.473 1.00 4.32 H new ATOM 0 HD22 ASN A 101 -4.715 -0.491 17.119 1.00 4.32 H new ATOM 1641 N SER A 102 -6.365 -4.205 15.004 1.00 0.76 N ATOM 1642 CA SER A 102 -5.739 -5.559 15.006 1.00 0.52 C ATOM 1643 C SER A 102 -5.908 -6.211 13.632 1.00 0.45 C ATOM 1644 O SER A 102 -6.892 -6.004 12.951 1.00 0.79 O ATOM 1645 CB SER A 102 -6.413 -6.426 16.067 1.00 1.01 C ATOM 1646 OG SER A 102 -5.481 -6.715 17.101 1.00 0.96 O ATOM 0 H SER A 102 -7.069 -4.053 15.726 1.00 0.76 H new ATOM 0 HA SER A 102 -4.676 -5.465 15.230 1.00 0.52 H new ATOM 0 HB2 SER A 102 -7.280 -5.909 16.478 1.00 1.01 H new ATOM 0 HB3 SER A 102 -6.776 -7.352 15.620 1.00 1.01 H new ATOM 0 HG SER A 102 -5.912 -7.270 17.784 1.00 0.96 H new ATOM 1652 N CYS A 103 -4.955 -7.005 13.221 1.00 0.46 N ATOM 1653 CA CYS A 103 -5.060 -7.675 11.895 1.00 0.33 C ATOM 1654 C CYS A 103 -4.026 -8.804 11.812 1.00 0.51 C ATOM 1655 O CYS A 103 -2.986 -8.644 11.207 1.00 0.53 O ATOM 1656 CB CYS A 103 -4.792 -6.654 10.788 1.00 0.32 C ATOM 1657 SG CYS A 103 -6.359 -6.184 10.016 1.00 0.46 S ATOM 0 H CYS A 103 -4.108 -7.218 13.748 1.00 0.46 H new ATOM 0 HA CYS A 103 -6.061 -8.089 11.773 1.00 0.33 H new ATOM 0 HB2 CYS A 103 -4.298 -5.774 11.201 1.00 0.32 H new ATOM 0 HB3 CYS A 103 -4.119 -7.077 10.043 1.00 0.32 H new ATOM 1662 N PRO A 104 -4.345 -9.913 12.431 1.00 0.70 N ATOM 1663 CA PRO A 104 -3.454 -11.089 12.448 1.00 0.91 C ATOM 1664 C PRO A 104 -3.143 -11.555 11.021 1.00 0.86 C ATOM 1665 O PRO A 104 -3.839 -12.378 10.460 1.00 0.88 O ATOM 1666 CB PRO A 104 -4.239 -12.165 13.212 1.00 1.09 C ATOM 1667 CG PRO A 104 -5.573 -11.531 13.683 1.00 1.02 C ATOM 1668 CD PRO A 104 -5.614 -10.086 13.160 1.00 0.76 C ATOM 0 HA PRO A 104 -2.494 -10.870 12.916 1.00 0.91 H new ATOM 0 HB2 PRO A 104 -4.430 -13.026 12.571 1.00 1.09 H new ATOM 0 HB3 PRO A 104 -3.664 -12.524 14.066 1.00 1.09 H new ATOM 0 HG2 PRO A 104 -6.422 -12.099 13.303 1.00 1.02 H new ATOM 0 HG3 PRO A 104 -5.641 -11.546 14.771 1.00 1.02 H new ATOM 0 HD2 PRO A 104 -6.471 -9.926 12.506 1.00 0.76 H new ATOM 0 HD3 PRO A 104 -5.701 -9.371 13.979 1.00 0.76 H new ATOM 1676 N VAL A 105 -2.097 -11.038 10.433 1.00 0.84 N ATOM 1677 CA VAL A 105 -1.736 -11.455 9.046 1.00 0.82 C ATOM 1678 C VAL A 105 -0.868 -12.717 9.103 1.00 0.87 C ATOM 1679 O VAL A 105 -0.040 -12.872 9.979 1.00 1.50 O ATOM 1680 CB VAL A 105 -0.962 -10.324 8.356 1.00 0.71 C ATOM 1681 CG1 VAL A 105 -1.880 -9.114 8.181 1.00 1.88 C ATOM 1682 CG2 VAL A 105 0.244 -9.924 9.212 1.00 2.05 C ATOM 0 H VAL A 105 -1.477 -10.345 10.853 1.00 0.84 H new ATOM 0 HA VAL A 105 -2.643 -11.666 8.480 1.00 0.82 H new ATOM 0 HB VAL A 105 -0.616 -10.668 7.381 1.00 0.71 H new ATOM 0 HG11 VAL A 105 -1.332 -8.309 7.691 1.00 1.88 H new ATOM 0 HG12 VAL A 105 -2.738 -9.394 7.570 1.00 1.88 H new ATOM 0 HG13 VAL A 105 -2.226 -8.775 9.158 1.00 1.88 H new ATOM 0 HG21 VAL A 105 0.790 -9.121 8.718 1.00 2.05 H new ATOM 0 HG22 VAL A 105 -0.100 -9.582 10.188 1.00 2.05 H new ATOM 0 HG23 VAL A 105 0.901 -10.784 9.340 1.00 2.05 H new ATOM 1692 N LYS A 106 -1.049 -13.627 8.181 1.00 0.47 N ATOM 1693 CA LYS A 106 -0.227 -14.873 8.200 1.00 0.58 C ATOM 1694 C LYS A 106 -0.356 -15.613 6.864 1.00 0.56 C ATOM 1695 O LYS A 106 0.591 -15.715 6.110 1.00 1.44 O ATOM 1696 CB LYS A 106 -0.707 -15.787 9.330 1.00 0.83 C ATOM 1697 CG LYS A 106 0.505 -16.413 10.022 1.00 1.33 C ATOM 1698 CD LYS A 106 0.109 -16.873 11.426 1.00 1.55 C ATOM 1699 CE LYS A 106 0.899 -18.130 11.791 1.00 2.22 C ATOM 1700 NZ LYS A 106 0.091 -18.974 12.715 1.00 2.86 N ATOM 0 H LYS A 106 -1.726 -13.562 7.421 1.00 0.47 H new ATOM 0 HA LYS A 106 0.817 -14.603 8.361 1.00 0.58 H new ATOM 0 HB2 LYS A 106 -1.297 -15.218 10.048 1.00 0.83 H new ATOM 0 HB3 LYS A 106 -1.356 -16.567 8.932 1.00 0.83 H new ATOM 0 HG2 LYS A 106 0.872 -17.259 9.441 1.00 1.33 H new ATOM 0 HG3 LYS A 106 1.318 -15.689 10.081 1.00 1.33 H new ATOM 0 HD2 LYS A 106 0.308 -16.082 12.149 1.00 1.55 H new ATOM 0 HD3 LYS A 106 -0.961 -17.078 11.465 1.00 1.55 H new ATOM 0 HE2 LYS A 106 1.145 -18.692 10.890 1.00 2.22 H new ATOM 0 HE3 LYS A 106 1.842 -17.855 12.263 1.00 2.22 H new ATOM 0 HZ1 LYS A 106 0.628 -19.829 12.963 1.00 2.86 H new ATOM 0 HZ2 LYS A 106 -0.123 -18.436 13.579 1.00 2.86 H new ATOM 0 HZ3 LYS A 106 -0.798 -19.247 12.248 1.00 2.86 H new ATOM 1714 N GLU A 107 -1.516 -16.136 6.572 1.00 0.78 N ATOM 1715 CA GLU A 107 -1.704 -16.878 5.290 1.00 0.63 C ATOM 1716 C GLU A 107 -1.248 -16.005 4.117 1.00 0.32 C ATOM 1717 O GLU A 107 -1.956 -15.123 3.675 1.00 0.99 O ATOM 1718 CB GLU A 107 -3.185 -17.230 5.119 1.00 1.10 C ATOM 1719 CG GLU A 107 -3.335 -18.310 4.044 1.00 2.43 C ATOM 1720 CD GLU A 107 -3.177 -19.692 4.682 1.00 3.58 C ATOM 1721 OE1 GLU A 107 -2.564 -19.773 5.733 1.00 3.93 O ATOM 1722 OE2 GLU A 107 -3.674 -20.647 4.107 1.00 4.42 O ATOM 0 H GLU A 107 -2.343 -16.082 7.166 1.00 0.78 H new ATOM 0 HA GLU A 107 -1.111 -17.792 5.311 1.00 0.63 H new ATOM 0 HB2 GLU A 107 -3.597 -17.584 6.064 1.00 1.10 H new ATOM 0 HB3 GLU A 107 -3.750 -16.342 4.838 1.00 1.10 H new ATOM 0 HG2 GLU A 107 -4.311 -18.228 3.565 1.00 2.43 H new ATOM 0 HG3 GLU A 107 -2.585 -18.169 3.265 1.00 2.43 H new ATOM 1729 N ALA A 108 -0.066 -16.243 3.613 1.00 0.23 N ATOM 1730 CA ALA A 108 0.434 -15.425 2.470 1.00 0.49 C ATOM 1731 C ALA A 108 1.772 -15.989 1.982 1.00 0.63 C ATOM 1732 O ALA A 108 2.659 -16.272 2.762 1.00 0.61 O ATOM 1733 CB ALA A 108 0.632 -13.978 2.929 1.00 0.90 C ATOM 0 H ALA A 108 0.573 -16.966 3.942 1.00 0.23 H new ATOM 0 HA ALA A 108 -0.292 -15.456 1.657 1.00 0.49 H new ATOM 0 HB1 ALA A 108 0.997 -13.379 2.095 1.00 0.90 H new ATOM 0 HB2 ALA A 108 -0.318 -13.574 3.278 1.00 0.90 H new ATOM 0 HB3 ALA A 108 1.358 -13.950 3.741 1.00 0.90 H new ATOM 1739 N ASP A 109 1.927 -16.147 0.695 1.00 1.03 N ATOM 1740 CA ASP A 109 3.209 -16.683 0.157 1.00 1.34 C ATOM 1741 C ASP A 109 4.148 -15.515 -0.151 1.00 1.27 C ATOM 1742 O ASP A 109 3.714 -14.394 -0.329 1.00 1.74 O ATOM 1743 CB ASP A 109 2.937 -17.473 -1.125 1.00 1.76 C ATOM 1744 CG ASP A 109 3.934 -18.629 -1.240 1.00 1.84 C ATOM 1745 OD1 ASP A 109 5.107 -18.357 -1.435 1.00 2.73 O ATOM 1746 OD2 ASP A 109 3.507 -19.767 -1.131 1.00 1.59 O ATOM 0 H ASP A 109 1.220 -15.928 -0.007 1.00 1.03 H new ATOM 0 HA ASP A 109 3.670 -17.342 0.893 1.00 1.34 H new ATOM 0 HB2 ASP A 109 1.918 -17.859 -1.117 1.00 1.76 H new ATOM 0 HB3 ASP A 109 3.023 -16.818 -1.992 1.00 1.76 H new ATOM 1751 N GLN A 110 5.428 -15.760 -0.207 1.00 0.68 N ATOM 1752 CA GLN A 110 6.383 -14.650 -0.496 1.00 0.59 C ATOM 1753 C GLN A 110 6.214 -14.182 -1.943 1.00 0.59 C ATOM 1754 O GLN A 110 6.853 -14.684 -2.847 1.00 0.63 O ATOM 1755 CB GLN A 110 7.820 -15.132 -0.285 1.00 0.60 C ATOM 1756 CG GLN A 110 8.531 -14.198 0.695 1.00 0.49 C ATOM 1757 CD GLN A 110 8.014 -14.457 2.111 1.00 1.27 C ATOM 1758 OE1 GLN A 110 7.110 -13.788 2.573 1.00 2.79 O ATOM 1759 NE2 GLN A 110 8.552 -15.408 2.826 1.00 0.81 N ATOM 0 H GLN A 110 5.854 -16.676 -0.066 1.00 0.68 H new ATOM 0 HA GLN A 110 6.175 -13.821 0.180 1.00 0.59 H new ATOM 0 HB2 GLN A 110 7.820 -16.151 0.102 1.00 0.60 H new ATOM 0 HB3 GLN A 110 8.352 -15.152 -1.236 1.00 0.60 H new ATOM 0 HG2 GLN A 110 9.608 -14.361 0.654 1.00 0.49 H new ATOM 0 HG3 GLN A 110 8.355 -13.159 0.416 1.00 0.49 H new ATOM 0 HE21 GLN A 110 9.310 -15.970 2.439 1.00 0.81 H new ATOM 0 HE22 GLN A 110 8.214 -15.589 3.771 1.00 0.81 H new ATOM 1768 N SER A 111 5.364 -13.218 -2.169 1.00 0.56 N ATOM 1769 CA SER A 111 5.163 -12.712 -3.554 1.00 0.58 C ATOM 1770 C SER A 111 6.007 -11.451 -3.752 1.00 0.56 C ATOM 1771 O SER A 111 6.022 -10.570 -2.916 1.00 0.96 O ATOM 1772 CB SER A 111 3.685 -12.382 -3.768 1.00 0.58 C ATOM 1773 OG SER A 111 3.284 -11.388 -2.833 1.00 0.93 O ATOM 0 H SER A 111 4.800 -12.759 -1.453 1.00 0.56 H new ATOM 0 HA SER A 111 5.467 -13.473 -4.273 1.00 0.58 H new ATOM 0 HB2 SER A 111 3.524 -12.026 -4.786 1.00 0.58 H new ATOM 0 HB3 SER A 111 3.079 -13.279 -3.644 1.00 0.58 H new ATOM 0 HG SER A 111 2.470 -10.947 -3.154 1.00 0.93 H new ATOM 1779 N THR A 112 6.718 -11.366 -4.847 1.00 0.43 N ATOM 1780 CA THR A 112 7.571 -10.166 -5.095 1.00 0.38 C ATOM 1781 C THR A 112 6.737 -8.893 -4.936 1.00 0.32 C ATOM 1782 O THR A 112 5.564 -8.861 -5.252 1.00 0.25 O ATOM 1783 CB THR A 112 8.147 -10.230 -6.513 1.00 0.45 C ATOM 1784 OG1 THR A 112 7.087 -10.338 -7.451 1.00 0.44 O ATOM 1785 CG2 THR A 112 9.067 -11.446 -6.636 1.00 0.56 C ATOM 0 H THR A 112 6.744 -12.075 -5.579 1.00 0.43 H new ATOM 0 HA THR A 112 8.387 -10.151 -4.372 1.00 0.38 H new ATOM 0 HB THR A 112 8.717 -9.323 -6.715 1.00 0.45 H new ATOM 0 HG1 THR A 112 7.456 -10.377 -8.358 1.00 0.44 H new ATOM 0 HG21 THR A 112 9.477 -11.492 -7.645 1.00 0.56 H new ATOM 0 HG22 THR A 112 9.882 -11.360 -5.917 1.00 0.56 H new ATOM 0 HG23 THR A 112 8.499 -12.354 -6.434 1.00 0.56 H new ATOM 1793 N LEU A 113 7.335 -7.847 -4.435 1.00 0.36 N ATOM 1794 CA LEU A 113 6.585 -6.574 -4.237 1.00 0.32 C ATOM 1795 C LEU A 113 6.038 -6.059 -5.571 1.00 0.24 C ATOM 1796 O LEU A 113 5.118 -5.269 -5.603 1.00 0.16 O ATOM 1797 CB LEU A 113 7.518 -5.524 -3.633 1.00 0.39 C ATOM 1798 CG LEU A 113 6.823 -4.848 -2.453 1.00 0.62 C ATOM 1799 CD1 LEU A 113 7.873 -4.217 -1.539 1.00 1.83 C ATOM 1800 CD2 LEU A 113 5.879 -3.761 -2.972 1.00 1.01 C ATOM 0 H LEU A 113 8.315 -7.819 -4.153 1.00 0.36 H new ATOM 0 HA LEU A 113 5.749 -6.761 -3.563 1.00 0.32 H new ATOM 0 HB2 LEU A 113 8.446 -5.992 -3.304 1.00 0.39 H new ATOM 0 HB3 LEU A 113 7.785 -4.782 -4.386 1.00 0.39 H new ATOM 0 HG LEU A 113 6.251 -5.589 -1.894 1.00 0.62 H new ATOM 0 HD11 LEU A 113 7.379 -3.734 -0.696 1.00 1.83 H new ATOM 0 HD12 LEU A 113 8.546 -4.991 -1.170 1.00 1.83 H new ATOM 0 HD13 LEU A 113 8.444 -3.476 -2.098 1.00 1.83 H new ATOM 0 HD21 LEU A 113 5.383 -3.278 -2.130 1.00 1.01 H new ATOM 0 HD22 LEU A 113 6.450 -3.019 -3.531 1.00 1.01 H new ATOM 0 HD23 LEU A 113 5.131 -4.210 -3.625 1.00 1.01 H new ATOM 1812 N GLU A 114 6.592 -6.484 -6.672 1.00 0.28 N ATOM 1813 CA GLU A 114 6.085 -5.997 -7.986 1.00 0.24 C ATOM 1814 C GLU A 114 4.622 -6.414 -8.153 1.00 0.17 C ATOM 1815 O GLU A 114 3.736 -5.588 -8.267 1.00 0.23 O ATOM 1816 CB GLU A 114 6.918 -6.606 -9.113 1.00 0.29 C ATOM 1817 CG GLU A 114 7.451 -5.487 -10.010 1.00 0.86 C ATOM 1818 CD GLU A 114 7.989 -6.088 -11.309 1.00 1.15 C ATOM 1819 OE1 GLU A 114 7.187 -6.573 -12.090 1.00 1.83 O ATOM 1820 OE2 GLU A 114 9.193 -6.051 -11.502 1.00 1.42 O ATOM 0 H GLU A 114 7.369 -7.143 -6.720 1.00 0.28 H new ATOM 0 HA GLU A 114 6.162 -4.910 -8.024 1.00 0.24 H new ATOM 0 HB2 GLU A 114 7.746 -7.181 -8.699 1.00 0.29 H new ATOM 0 HB3 GLU A 114 6.310 -7.297 -9.697 1.00 0.29 H new ATOM 0 HG2 GLU A 114 6.657 -4.772 -10.229 1.00 0.86 H new ATOM 0 HG3 GLU A 114 8.241 -4.939 -9.496 1.00 0.86 H new ATOM 1827 N ASN A 115 4.367 -7.690 -8.168 1.00 0.20 N ATOM 1828 CA ASN A 115 2.967 -8.174 -8.326 1.00 0.13 C ATOM 1829 C ASN A 115 2.125 -7.753 -7.116 1.00 0.15 C ATOM 1830 O ASN A 115 0.915 -7.705 -7.186 1.00 0.22 O ATOM 1831 CB ASN A 115 2.970 -9.701 -8.437 1.00 0.15 C ATOM 1832 CG ASN A 115 2.115 -10.130 -9.630 1.00 0.80 C ATOM 1833 OD1 ASN A 115 0.981 -10.537 -9.466 1.00 1.59 O ATOM 1834 ND2 ASN A 115 2.614 -10.059 -10.833 1.00 1.66 N ATOM 0 H ASN A 115 5.070 -8.423 -8.077 1.00 0.20 H new ATOM 0 HA ASN A 115 2.537 -7.738 -9.228 1.00 0.13 H new ATOM 0 HB2 ASN A 115 3.990 -10.065 -8.558 1.00 0.15 H new ATOM 0 HB3 ASN A 115 2.581 -10.143 -7.520 1.00 0.15 H new ATOM 0 HD21 ASN A 115 2.053 -10.345 -11.636 1.00 1.66 H new ATOM 0 HD22 ASN A 115 3.565 -9.718 -10.971 1.00 1.66 H new ATOM 1841 N PHE A 116 2.748 -7.449 -6.008 1.00 0.26 N ATOM 1842 CA PHE A 116 1.967 -7.036 -4.807 1.00 0.36 C ATOM 1843 C PHE A 116 1.276 -5.699 -5.084 1.00 0.20 C ATOM 1844 O PHE A 116 0.063 -5.617 -5.145 1.00 0.21 O ATOM 1845 CB PHE A 116 2.912 -6.887 -3.613 1.00 0.55 C ATOM 1846 CG PHE A 116 2.115 -6.522 -2.384 1.00 0.50 C ATOM 1847 CD1 PHE A 116 1.257 -7.463 -1.802 1.00 0.88 C ATOM 1848 CD2 PHE A 116 2.233 -5.243 -1.828 1.00 0.37 C ATOM 1849 CE1 PHE A 116 0.516 -7.123 -0.664 1.00 1.13 C ATOM 1850 CE2 PHE A 116 1.492 -4.903 -0.690 1.00 0.65 C ATOM 1851 CZ PHE A 116 0.633 -5.843 -0.108 1.00 1.02 C ATOM 0 H PHE A 116 3.760 -7.469 -5.884 1.00 0.26 H new ATOM 0 HA PHE A 116 1.215 -7.792 -4.582 1.00 0.36 H new ATOM 0 HB2 PHE A 116 3.453 -7.818 -3.445 1.00 0.55 H new ATOM 0 HB3 PHE A 116 3.657 -6.118 -3.818 1.00 0.55 H new ATOM 0 HD1 PHE A 116 1.167 -8.450 -2.231 1.00 0.88 H new ATOM 0 HD2 PHE A 116 2.896 -4.518 -2.277 1.00 0.37 H new ATOM 0 HE1 PHE A 116 -0.146 -7.848 -0.215 1.00 1.13 H new ATOM 0 HE2 PHE A 116 1.583 -3.916 -0.261 1.00 0.65 H new ATOM 0 HZ PHE A 116 0.061 -5.581 0.770 1.00 1.02 H new ATOM 1861 N LEU A 117 2.037 -4.652 -5.256 1.00 0.26 N ATOM 1862 CA LEU A 117 1.427 -3.321 -5.536 1.00 0.30 C ATOM 1863 C LEU A 117 0.492 -3.448 -6.739 1.00 0.39 C ATOM 1864 O LEU A 117 -0.507 -2.764 -6.841 1.00 0.52 O ATOM 1865 CB LEU A 117 2.530 -2.305 -5.848 1.00 0.39 C ATOM 1866 CG LEU A 117 3.468 -2.173 -4.645 1.00 0.77 C ATOM 1867 CD1 LEU A 117 4.544 -1.128 -4.948 1.00 1.21 C ATOM 1868 CD2 LEU A 117 2.665 -1.733 -3.419 1.00 1.26 C ATOM 0 H LEU A 117 3.056 -4.661 -5.215 1.00 0.26 H new ATOM 0 HA LEU A 117 0.865 -2.982 -4.665 1.00 0.30 H new ATOM 0 HB2 LEU A 117 3.092 -2.623 -6.726 1.00 0.39 H new ATOM 0 HB3 LEU A 117 2.089 -1.337 -6.085 1.00 0.39 H new ATOM 0 HG LEU A 117 3.940 -3.135 -4.446 1.00 0.77 H new ATOM 0 HD11 LEU A 117 5.212 -1.034 -4.091 1.00 1.21 H new ATOM 0 HD12 LEU A 117 5.117 -1.438 -5.822 1.00 1.21 H new ATOM 0 HD13 LEU A 117 4.071 -0.166 -5.147 1.00 1.21 H new ATOM 0 HD21 LEU A 117 3.332 -1.639 -2.562 1.00 1.26 H new ATOM 0 HD22 LEU A 117 2.193 -0.771 -3.619 1.00 1.26 H new ATOM 0 HD23 LEU A 117 1.897 -2.475 -3.201 1.00 1.26 H new ATOM 1880 N GLU A 118 0.811 -4.326 -7.651 1.00 0.35 N ATOM 1881 CA GLU A 118 -0.052 -4.513 -8.848 1.00 0.46 C ATOM 1882 C GLU A 118 -1.478 -4.848 -8.405 1.00 0.53 C ATOM 1883 O GLU A 118 -2.430 -4.198 -8.792 1.00 0.59 O ATOM 1884 CB GLU A 118 0.508 -5.663 -9.688 1.00 0.51 C ATOM 1885 CG GLU A 118 -0.297 -5.796 -10.980 1.00 0.31 C ATOM 1886 CD GLU A 118 0.662 -5.927 -12.165 1.00 0.33 C ATOM 1887 OE1 GLU A 118 1.064 -7.042 -12.456 1.00 1.19 O ATOM 1888 OE2 GLU A 118 0.979 -4.911 -12.760 1.00 1.01 O ATOM 0 H GLU A 118 1.637 -4.924 -7.616 1.00 0.35 H new ATOM 0 HA GLU A 118 -0.068 -3.597 -9.439 1.00 0.46 H new ATOM 0 HB2 GLU A 118 1.557 -5.480 -9.919 1.00 0.51 H new ATOM 0 HB3 GLU A 118 0.464 -6.594 -9.123 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -0.949 -6.668 -10.927 1.00 0.31 H new ATOM 0 HG3 GLU A 118 -0.939 -4.926 -11.112 1.00 0.31 H new ATOM 1895 N ARG A 119 -1.629 -5.857 -7.597 1.00 0.54 N ATOM 1896 CA ARG A 119 -2.986 -6.248 -7.121 1.00 0.62 C ATOM 1897 C ARG A 119 -3.583 -5.130 -6.260 1.00 0.58 C ATOM 1898 O ARG A 119 -4.780 -5.049 -6.090 1.00 0.59 O ATOM 1899 CB ARG A 119 -2.883 -7.530 -6.293 1.00 0.66 C ATOM 1900 CG ARG A 119 -2.275 -8.642 -7.149 1.00 0.65 C ATOM 1901 CD ARG A 119 -3.224 -8.978 -8.303 1.00 0.22 C ATOM 1902 NE ARG A 119 -4.571 -9.313 -7.756 1.00 1.68 N ATOM 1903 CZ ARG A 119 -5.627 -9.357 -8.538 1.00 2.12 C ATOM 1904 NH1 ARG A 119 -5.534 -9.114 -9.824 1.00 1.90 N ATOM 1905 NH2 ARG A 119 -6.791 -9.651 -8.024 1.00 3.50 N ATOM 0 H ARG A 119 -0.866 -6.433 -7.242 1.00 0.54 H new ATOM 0 HA ARG A 119 -3.632 -6.417 -7.982 1.00 0.62 H new ATOM 0 HB2 ARG A 119 -2.267 -7.357 -5.411 1.00 0.66 H new ATOM 0 HB3 ARG A 119 -3.870 -7.827 -5.939 1.00 0.66 H new ATOM 0 HG2 ARG A 119 -1.308 -8.326 -7.540 1.00 0.65 H new ATOM 0 HG3 ARG A 119 -2.098 -9.529 -6.540 1.00 0.65 H new ATOM 0 HD2 ARG A 119 -3.297 -8.132 -8.986 1.00 0.22 H new ATOM 0 HD3 ARG A 119 -2.833 -9.818 -8.877 1.00 0.22 H new ATOM 0 HE ARG A 119 -4.674 -9.511 -6.761 1.00 1.68 H new ATOM 0 HH11 ARG A 119 -4.629 -8.885 -10.236 1.00 1.90 H new ATOM 0 HH12 ARG A 119 -6.366 -9.154 -10.412 1.00 1.90 H new ATOM 0 HH21 ARG A 119 -6.874 -9.843 -7.026 1.00 3.50 H new ATOM 0 HH22 ARG A 119 -7.617 -9.688 -8.621 1.00 3.50 H new ATOM 1919 N LEU A 120 -2.768 -4.270 -5.710 1.00 0.54 N ATOM 1920 CA LEU A 120 -3.320 -3.171 -4.866 1.00 0.51 C ATOM 1921 C LEU A 120 -4.114 -2.198 -5.746 1.00 0.60 C ATOM 1922 O LEU A 120 -5.246 -1.869 -5.456 1.00 0.71 O ATOM 1923 CB LEU A 120 -2.175 -2.423 -4.182 1.00 0.37 C ATOM 1924 CG LEU A 120 -2.290 -2.592 -2.665 1.00 0.38 C ATOM 1925 CD1 LEU A 120 -1.090 -1.929 -1.983 1.00 0.71 C ATOM 1926 CD2 LEU A 120 -3.580 -1.931 -2.174 1.00 0.72 C ATOM 0 H LEU A 120 -1.753 -4.280 -5.807 1.00 0.54 H new ATOM 0 HA LEU A 120 -3.978 -3.595 -4.108 1.00 0.51 H new ATOM 0 HB2 LEU A 120 -1.216 -2.807 -4.530 1.00 0.37 H new ATOM 0 HB3 LEU A 120 -2.209 -1.366 -4.445 1.00 0.37 H new ATOM 0 HG LEU A 120 -2.307 -3.654 -2.420 1.00 0.38 H new ATOM 0 HD11 LEU A 120 -1.173 -2.050 -0.903 1.00 0.71 H new ATOM 0 HD12 LEU A 120 -0.169 -2.397 -2.331 1.00 0.71 H new ATOM 0 HD13 LEU A 120 -1.073 -0.867 -2.229 1.00 0.71 H new ATOM 0 HD21 LEU A 120 -3.662 -2.051 -1.094 1.00 0.72 H new ATOM 0 HD22 LEU A 120 -3.562 -0.869 -2.421 1.00 0.72 H new ATOM 0 HD23 LEU A 120 -4.436 -2.401 -2.657 1.00 0.72 H new ATOM 1938 N LYS A 121 -3.529 -1.742 -6.820 1.00 0.60 N ATOM 1939 CA LYS A 121 -4.246 -0.794 -7.725 1.00 0.74 C ATOM 1940 C LYS A 121 -5.492 -1.471 -8.288 1.00 0.86 C ATOM 1941 O LYS A 121 -6.577 -0.925 -8.275 1.00 1.04 O ATOM 1942 CB LYS A 121 -3.331 -0.420 -8.891 1.00 0.78 C ATOM 1943 CG LYS A 121 -3.605 1.023 -9.318 1.00 0.87 C ATOM 1944 CD LYS A 121 -3.272 1.188 -10.804 1.00 0.77 C ATOM 1945 CE LYS A 121 -4.369 0.538 -11.653 1.00 1.64 C ATOM 1946 NZ LYS A 121 -3.896 0.410 -13.061 1.00 1.60 N ATOM 0 H LYS A 121 -2.582 -1.985 -7.112 1.00 0.60 H new ATOM 0 HA LYS A 121 -4.526 0.097 -7.163 1.00 0.74 H new ATOM 0 HB2 LYS A 121 -2.287 -0.531 -8.597 1.00 0.78 H new ATOM 0 HB3 LYS A 121 -3.499 -1.096 -9.729 1.00 0.78 H new ATOM 0 HG2 LYS A 121 -4.650 1.274 -9.139 1.00 0.87 H new ATOM 0 HG3 LYS A 121 -3.005 1.710 -8.721 1.00 0.87 H new ATOM 0 HD2 LYS A 121 -3.185 2.246 -11.052 1.00 0.77 H new ATOM 0 HD3 LYS A 121 -2.308 0.729 -11.024 1.00 0.77 H new ATOM 0 HE2 LYS A 121 -4.621 -0.444 -11.252 1.00 1.64 H new ATOM 0 HE3 LYS A 121 -5.277 1.140 -11.616 1.00 1.64 H new ATOM 0 HZ1 LYS A 121 -4.640 -0.031 -13.638 1.00 1.60 H new ATOM 0 HZ2 LYS A 121 -3.677 1.353 -13.441 1.00 1.60 H new ATOM 0 HZ3 LYS A 121 -3.041 -0.181 -13.088 1.00 1.60 H new ATOM 1960 N THR A 122 -5.322 -2.654 -8.800 1.00 0.78 N ATOM 1961 CA THR A 122 -6.470 -3.400 -9.396 1.00 0.91 C ATOM 1962 C THR A 122 -7.645 -3.430 -8.416 1.00 0.91 C ATOM 1963 O THR A 122 -8.780 -3.222 -8.786 1.00 1.00 O ATOM 1964 CB THR A 122 -6.048 -4.842 -9.720 1.00 0.99 C ATOM 1965 OG1 THR A 122 -4.694 -5.054 -9.353 1.00 0.79 O ATOM 1966 CG2 THR A 122 -6.204 -5.099 -11.217 1.00 1.18 C ATOM 0 H THR A 122 -4.428 -3.145 -8.833 1.00 0.78 H new ATOM 0 HA THR A 122 -6.775 -2.894 -10.312 1.00 0.91 H new ATOM 0 HB THR A 122 -6.684 -5.525 -9.157 1.00 0.99 H new ATOM 0 HG1 THR A 122 -4.338 -5.823 -9.846 1.00 0.79 H new ATOM 0 HG21 THR A 122 -5.904 -6.122 -11.444 1.00 1.18 H new ATOM 0 HG22 THR A 122 -7.245 -4.954 -11.504 1.00 1.18 H new ATOM 0 HG23 THR A 122 -5.574 -4.405 -11.773 1.00 1.18 H new ATOM 1974 N ILE A 123 -7.380 -3.692 -7.172 1.00 0.84 N ATOM 1975 CA ILE A 123 -8.479 -3.743 -6.163 1.00 0.85 C ATOM 1976 C ILE A 123 -9.068 -2.343 -5.968 1.00 0.72 C ATOM 1977 O ILE A 123 -10.246 -2.184 -5.724 1.00 0.77 O ATOM 1978 CB ILE A 123 -7.922 -4.238 -4.827 1.00 0.86 C ATOM 1979 CG1 ILE A 123 -7.578 -5.731 -4.922 1.00 1.02 C ATOM 1980 CG2 ILE A 123 -8.963 -4.023 -3.728 1.00 0.90 C ATOM 1981 CD1 ILE A 123 -8.821 -6.539 -5.311 1.00 1.00 C ATOM 0 H ILE A 123 -6.446 -3.875 -6.804 1.00 0.84 H new ATOM 0 HA ILE A 123 -9.256 -4.421 -6.516 1.00 0.85 H new ATOM 0 HB ILE A 123 -7.018 -3.678 -4.589 1.00 0.86 H new ATOM 0 HG12 ILE A 123 -6.791 -5.884 -5.660 1.00 1.02 H new ATOM 0 HG13 ILE A 123 -7.191 -6.084 -3.966 1.00 1.02 H new ATOM 0 HG21 ILE A 123 -8.566 -4.376 -2.776 1.00 0.90 H new ATOM 0 HG22 ILE A 123 -9.198 -2.961 -3.652 1.00 0.90 H new ATOM 0 HG23 ILE A 123 -9.869 -4.578 -3.971 1.00 0.90 H new ATOM 0 HD11 ILE A 123 -8.563 -7.596 -5.375 1.00 1.00 H new ATOM 0 HD12 ILE A 123 -9.596 -6.400 -4.557 1.00 1.00 H new ATOM 0 HD13 ILE A 123 -9.190 -6.197 -6.278 1.00 1.00 H new ATOM 1993 N MET A 124 -8.253 -1.332 -6.057 1.00 0.57 N ATOM 1994 CA MET A 124 -8.758 0.057 -5.863 1.00 0.47 C ATOM 1995 C MET A 124 -9.668 0.466 -7.025 1.00 0.59 C ATOM 1996 O MET A 124 -10.862 0.549 -6.880 1.00 0.98 O ATOM 1997 CB MET A 124 -7.575 1.026 -5.778 1.00 0.37 C ATOM 1998 CG MET A 124 -6.780 0.741 -4.504 1.00 0.15 C ATOM 1999 SD MET A 124 -7.436 1.743 -3.146 1.00 0.91 S ATOM 2000 CE MET A 124 -6.010 2.839 -2.933 1.00 0.37 C ATOM 0 H MET A 124 -7.255 -1.406 -6.256 1.00 0.57 H new ATOM 0 HA MET A 124 -9.332 0.093 -4.937 1.00 0.47 H new ATOM 0 HB2 MET A 124 -6.935 0.914 -6.653 1.00 0.37 H new ATOM 0 HB3 MET A 124 -7.933 2.056 -5.775 1.00 0.37 H new ATOM 0 HG2 MET A 124 -6.843 -0.318 -4.252 1.00 0.15 H new ATOM 0 HG3 MET A 124 -5.726 0.969 -4.662 1.00 0.15 H new ATOM 0 HE1 MET A 124 -5.695 2.828 -1.889 1.00 0.37 H new ATOM 0 HE2 MET A 124 -5.190 2.495 -3.563 1.00 0.37 H new ATOM 0 HE3 MET A 124 -6.286 3.854 -3.218 1.00 0.37 H new ATOM 2010 N ARG A 125 -9.111 0.747 -8.165 1.00 0.44 N ATOM 2011 CA ARG A 125 -9.943 1.191 -9.329 1.00 0.50 C ATOM 2012 C ARG A 125 -11.063 0.193 -9.655 1.00 0.51 C ATOM 2013 O ARG A 125 -12.152 0.579 -10.031 1.00 0.66 O ATOM 2014 CB ARG A 125 -9.043 1.339 -10.560 1.00 0.48 C ATOM 2015 CG ARG A 125 -8.779 2.822 -10.840 1.00 0.81 C ATOM 2016 CD ARG A 125 -7.323 3.150 -10.505 1.00 2.23 C ATOM 2017 NE ARG A 125 -6.945 4.446 -11.138 1.00 2.94 N ATOM 2018 CZ ARG A 125 -5.861 5.087 -10.768 1.00 4.28 C ATOM 2019 NH1 ARG A 125 -5.079 4.614 -9.828 1.00 5.16 N ATOM 2020 NH2 ARG A 125 -5.556 6.217 -11.347 1.00 4.92 N ATOM 0 H ARG A 125 -8.109 0.690 -8.349 1.00 0.44 H new ATOM 0 HA ARG A 125 -10.405 2.141 -9.062 1.00 0.50 H new ATOM 0 HB2 ARG A 125 -8.100 0.818 -10.396 1.00 0.48 H new ATOM 0 HB3 ARG A 125 -9.517 0.876 -11.425 1.00 0.48 H new ATOM 0 HG2 ARG A 125 -8.983 3.048 -11.887 1.00 0.81 H new ATOM 0 HG3 ARG A 125 -9.449 3.441 -10.244 1.00 0.81 H new ATOM 0 HD2 ARG A 125 -7.192 3.209 -9.425 1.00 2.23 H new ATOM 0 HD3 ARG A 125 -6.669 2.355 -10.862 1.00 2.23 H new ATOM 0 HE ARG A 125 -7.537 4.840 -11.869 1.00 2.94 H new ATOM 0 HH11 ARG A 125 -5.308 3.732 -9.370 1.00 5.16 H new ATOM 0 HH12 ARG A 125 -4.241 5.128 -9.555 1.00 5.16 H new ATOM 0 HH21 ARG A 125 -6.158 6.594 -12.079 1.00 4.92 H new ATOM 0 HH22 ARG A 125 -4.716 6.723 -11.067 1.00 4.92 H new ATOM 2034 N GLU A 126 -10.802 -1.076 -9.560 1.00 0.41 N ATOM 2035 CA GLU A 126 -11.849 -2.082 -9.917 1.00 0.54 C ATOM 2036 C GLU A 126 -12.973 -2.134 -8.872 1.00 0.59 C ATOM 2037 O GLU A 126 -14.138 -2.029 -9.202 1.00 0.52 O ATOM 2038 CB GLU A 126 -11.202 -3.464 -10.021 1.00 0.60 C ATOM 2039 CG GLU A 126 -12.089 -4.384 -10.862 1.00 0.99 C ATOM 2040 CD GLU A 126 -12.049 -5.800 -10.285 1.00 1.93 C ATOM 2041 OE1 GLU A 126 -12.353 -5.950 -9.114 1.00 2.88 O ATOM 2042 OE2 GLU A 126 -11.715 -6.710 -11.025 1.00 2.06 O ATOM 0 H GLU A 126 -9.912 -1.466 -9.251 1.00 0.41 H new ATOM 0 HA GLU A 126 -12.287 -1.786 -10.870 1.00 0.54 H new ATOM 0 HB2 GLU A 126 -10.214 -3.381 -10.474 1.00 0.60 H new ATOM 0 HB3 GLU A 126 -11.062 -3.887 -9.026 1.00 0.60 H new ATOM 0 HG2 GLU A 126 -13.113 -4.012 -10.869 1.00 0.99 H new ATOM 0 HG3 GLU A 126 -11.745 -4.392 -11.896 1.00 0.99 H new ATOM 2049 N LYS A 127 -12.644 -2.333 -7.627 1.00 0.70 N ATOM 2050 CA LYS A 127 -13.710 -2.435 -6.582 1.00 0.75 C ATOM 2051 C LYS A 127 -14.206 -1.052 -6.136 1.00 0.76 C ATOM 2052 O LYS A 127 -15.107 -0.951 -5.325 1.00 1.01 O ATOM 2053 CB LYS A 127 -13.150 -3.179 -5.368 1.00 0.74 C ATOM 2054 CG LYS A 127 -14.211 -4.138 -4.827 1.00 0.95 C ATOM 2055 CD LYS A 127 -14.316 -5.353 -5.750 1.00 1.21 C ATOM 2056 CE LYS A 127 -15.711 -5.401 -6.372 1.00 2.14 C ATOM 2057 NZ LYS A 127 -16.015 -6.795 -6.802 1.00 2.63 N ATOM 0 H LYS A 127 -11.688 -2.430 -7.285 1.00 0.70 H new ATOM 0 HA LYS A 127 -14.554 -2.974 -7.013 1.00 0.75 H new ATOM 0 HB2 LYS A 127 -12.253 -3.732 -5.648 1.00 0.74 H new ATOM 0 HB3 LYS A 127 -12.858 -2.468 -4.595 1.00 0.74 H new ATOM 0 HG2 LYS A 127 -13.949 -4.456 -3.818 1.00 0.95 H new ATOM 0 HG3 LYS A 127 -15.175 -3.633 -4.762 1.00 0.95 H new ATOM 0 HD2 LYS A 127 -13.559 -5.295 -6.532 1.00 1.21 H new ATOM 0 HD3 LYS A 127 -14.125 -6.267 -5.188 1.00 1.21 H new ATOM 0 HE2 LYS A 127 -16.454 -5.061 -5.651 1.00 2.14 H new ATOM 0 HE3 LYS A 127 -15.764 -4.726 -7.226 1.00 2.14 H new ATOM 0 HZ1 LYS A 127 -16.964 -6.828 -7.225 1.00 2.63 H new ATOM 0 HZ2 LYS A 127 -15.312 -7.103 -7.504 1.00 2.63 H new ATOM 0 HZ3 LYS A 127 -15.981 -7.428 -5.977 1.00 2.63 H new ATOM 2071 N TYR A 128 -13.643 0.011 -6.638 1.00 0.80 N ATOM 2072 CA TYR A 128 -14.114 1.360 -6.208 1.00 0.88 C ATOM 2073 C TYR A 128 -15.205 1.865 -7.162 1.00 1.30 C ATOM 2074 O TYR A 128 -15.504 3.042 -7.202 1.00 1.35 O ATOM 2075 CB TYR A 128 -12.936 2.339 -6.207 1.00 1.00 C ATOM 2076 CG TYR A 128 -12.113 2.174 -4.937 1.00 0.40 C ATOM 2077 CD1 TYR A 128 -11.878 0.901 -4.387 1.00 1.72 C ATOM 2078 CD2 TYR A 128 -11.571 3.305 -4.314 1.00 1.33 C ATOM 2079 CE1 TYR A 128 -11.110 0.767 -3.225 1.00 1.98 C ATOM 2080 CE2 TYR A 128 -10.800 3.166 -3.152 1.00 2.08 C ATOM 2081 CZ TYR A 128 -10.570 1.900 -2.609 1.00 1.92 C ATOM 2082 OH TYR A 128 -9.816 1.767 -1.461 1.00 2.80 O ATOM 0 H TYR A 128 -12.885 0.007 -7.320 1.00 0.80 H new ATOM 0 HA TYR A 128 -14.528 1.289 -5.202 1.00 0.88 H new ATOM 0 HB2 TYR A 128 -12.308 2.164 -7.081 1.00 1.00 H new ATOM 0 HB3 TYR A 128 -13.305 3.362 -6.279 1.00 1.00 H new ATOM 0 HD1 TYR A 128 -12.292 0.024 -4.863 1.00 1.72 H new ATOM 0 HD2 TYR A 128 -11.747 4.286 -4.730 1.00 1.33 H new ATOM 0 HE1 TYR A 128 -10.934 -0.212 -2.804 1.00 1.98 H new ATOM 0 HE2 TYR A 128 -10.382 4.040 -2.675 1.00 2.08 H new ATOM 0 HH TYR A 128 -9.989 0.892 -1.056 1.00 2.80 H new ATOM 2092 N SER A 129 -15.803 0.993 -7.937 1.00 1.70 N ATOM 2093 CA SER A 129 -16.864 1.442 -8.882 1.00 2.14 C ATOM 2094 C SER A 129 -18.244 1.406 -8.205 1.00 2.17 C ATOM 2095 O SER A 129 -19.243 1.725 -8.816 1.00 2.54 O ATOM 2096 CB SER A 129 -16.876 0.517 -10.099 1.00 2.56 C ATOM 2097 OG SER A 129 -17.376 1.229 -11.224 1.00 2.78 O ATOM 0 H SER A 129 -15.601 -0.007 -7.954 1.00 1.70 H new ATOM 0 HA SER A 129 -16.651 2.466 -9.189 1.00 2.14 H new ATOM 0 HB2 SER A 129 -15.869 0.152 -10.303 1.00 2.56 H new ATOM 0 HB3 SER A 129 -17.498 -0.356 -9.901 1.00 2.56 H new ATOM 0 HG SER A 129 -17.384 0.640 -12.007 1.00 2.78 H new ATOM 2103 N LYS A 130 -18.316 1.026 -6.954 1.00 1.88 N ATOM 2104 CA LYS A 130 -19.639 0.983 -6.272 1.00 2.07 C ATOM 2105 C LYS A 130 -19.934 2.348 -5.648 1.00 1.35 C ATOM 2106 O LYS A 130 -21.074 2.742 -5.503 1.00 1.69 O ATOM 2107 CB LYS A 130 -19.617 -0.085 -5.177 1.00 2.80 C ATOM 2108 CG LYS A 130 -20.621 -1.188 -5.521 1.00 3.50 C ATOM 2109 CD LYS A 130 -20.045 -2.551 -5.130 1.00 4.07 C ATOM 2110 CE LYS A 130 -20.177 -3.515 -6.308 1.00 3.53 C ATOM 2111 NZ LYS A 130 -21.592 -3.967 -6.422 1.00 3.93 N ATOM 0 H LYS A 130 -17.520 0.746 -6.381 1.00 1.88 H new ATOM 0 HA LYS A 130 -20.414 0.739 -6.999 1.00 2.07 H new ATOM 0 HB2 LYS A 130 -18.616 -0.506 -5.084 1.00 2.80 H new ATOM 0 HB3 LYS A 130 -19.866 0.361 -4.214 1.00 2.80 H new ATOM 0 HG2 LYS A 130 -21.560 -1.015 -4.995 1.00 3.50 H new ATOM 0 HG3 LYS A 130 -20.845 -1.170 -6.588 1.00 3.50 H new ATOM 0 HD2 LYS A 130 -18.998 -2.448 -4.846 1.00 4.07 H new ATOM 0 HD3 LYS A 130 -20.573 -2.946 -4.262 1.00 4.07 H new ATOM 0 HE2 LYS A 130 -19.865 -3.025 -7.230 1.00 3.53 H new ATOM 0 HE3 LYS A 130 -19.520 -4.373 -6.165 1.00 3.53 H new ATOM 0 HZ1 LYS A 130 -21.683 -4.623 -7.224 1.00 3.93 H new ATOM 0 HZ2 LYS A 130 -21.874 -4.450 -5.545 1.00 3.93 H new ATOM 0 HZ3 LYS A 130 -22.208 -3.144 -6.577 1.00 3.93 H new ATOM 2125 N CYS A 131 -18.915 3.076 -5.276 1.00 0.84 N ATOM 2126 CA CYS A 131 -19.141 4.414 -4.665 1.00 0.95 C ATOM 2127 C CYS A 131 -18.794 5.507 -5.677 1.00 1.66 C ATOM 2128 O CYS A 131 -19.485 6.498 -5.796 1.00 2.78 O ATOM 2129 CB CYS A 131 -18.254 4.571 -3.430 1.00 0.70 C ATOM 2130 SG CYS A 131 -18.606 6.164 -2.645 1.00 1.81 S ATOM 0 H CYS A 131 -17.937 2.801 -5.370 1.00 0.84 H new ATOM 0 HA CYS A 131 -20.188 4.503 -4.376 1.00 0.95 H new ATOM 0 HB2 CYS A 131 -18.439 3.757 -2.729 1.00 0.70 H new ATOM 0 HB3 CYS A 131 -17.203 4.515 -3.713 1.00 0.70 H new ATOM 2135 N SER A 132 -17.725 5.335 -6.407 1.00 1.97 N ATOM 2136 CA SER A 132 -17.333 6.369 -7.407 1.00 3.47 C ATOM 2137 C SER A 132 -17.358 5.759 -8.810 1.00 4.24 C ATOM 2138 O SER A 132 -16.882 4.663 -9.031 1.00 4.28 O ATOM 2139 CB SER A 132 -15.923 6.870 -7.096 1.00 4.08 C ATOM 2140 OG SER A 132 -15.262 7.194 -8.312 1.00 4.90 O ATOM 0 H SER A 132 -17.107 4.525 -6.354 1.00 1.97 H new ATOM 0 HA SER A 132 -18.034 7.202 -7.360 1.00 3.47 H new ATOM 0 HB2 SER A 132 -15.970 7.746 -6.449 1.00 4.08 H new ATOM 0 HB3 SER A 132 -15.363 6.106 -6.557 1.00 4.08 H new ATOM 0 HG SER A 132 -14.358 7.517 -8.117 1.00 4.90 H new ATOM 2146 N SER A 133 -17.908 6.461 -9.762 1.00 5.02 N ATOM 2147 CA SER A 133 -17.964 5.922 -11.150 1.00 5.82 C ATOM 2148 C SER A 133 -16.680 6.292 -11.895 1.00 7.39 C ATOM 2149 O SER A 133 -15.811 5.442 -11.998 1.00 8.13 O ATOM 2150 CB SER A 133 -19.166 6.522 -11.878 1.00 6.11 C ATOM 2151 OG SER A 133 -20.179 5.533 -12.009 1.00 5.49 O ATOM 2152 OXT SER A 133 -16.588 7.421 -12.351 1.00 7.95 O ATOM 0 H SER A 133 -18.321 7.385 -9.639 1.00 5.02 H new ATOM 0 HA SER A 133 -18.062 4.837 -11.115 1.00 5.82 H new ATOM 0 HB2 SER A 133 -19.549 7.380 -11.325 1.00 6.11 H new ATOM 0 HB3 SER A 133 -18.866 6.884 -12.861 1.00 6.11 H new ATOM 0 HG SER A 133 -20.952 5.916 -12.474 1.00 5.49 H new TER 2158 SER A 133