USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.125 (180deg=-0.0136) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -2.6 K(o=-2.6,f=-5.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -174:sc= -0.294 (180deg=-0.338) USER MOD Single : A 11 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.34) USER MOD Single : A 13 SER OG : rot 28:sc= 0.995 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= 1.3 (180deg=0.981) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0159) USER MOD Single : A 31 MET CE :methyl -152:sc= -0.156 (180deg=-0.867) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0402 F(o=-0.64,f=-0.04) USER MOD Single : A 40 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.5) USER MOD Single : A 43 THR OG1 : rot -53:sc= 0.505 USER MOD Single : A 45 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 47 ASN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 50 TYR OH : rot -30:sc= 0.0941 USER MOD Single : A 55 THR OG1 : rot 75:sc= -0.112 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00113 X(o=-0.0011,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.21) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -50:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.273 20.459 13.369 1.00 5.87 N ATOM 2 CA MET A 1 -2.040 19.434 14.094 1.00 4.80 C ATOM 3 C MET A 1 -1.022 18.565 14.826 1.00 2.73 C ATOM 4 O MET A 1 -0.041 19.129 15.300 1.00 2.79 O ATOM 5 CB MET A 1 -2.989 18.650 13.172 1.00 6.27 C ATOM 6 CG MET A 1 -4.118 19.514 12.602 1.00 8.25 C ATOM 7 SD MET A 1 -5.331 18.560 11.655 1.00 10.33 S ATOM 8 CE MET A 1 -6.570 19.834 11.335 1.00 12.23 C ATOM 0 H1 MET A 1 -1.775 21.368 13.419 1.00 5.87 H new ATOM 0 H2 MET A 1 -0.332 20.559 13.801 1.00 5.87 H new ATOM 0 H3 MET A 1 -1.169 20.175 12.374 1.00 5.87 H new ATOM 0 HA MET A 1 -2.716 19.887 14.819 1.00 4.80 H new ATOM 0 HB2 MET A 1 -2.416 18.222 12.350 1.00 6.27 H new ATOM 0 HB3 MET A 1 -3.421 17.817 13.727 1.00 6.27 H new ATOM 0 HG2 MET A 1 -4.625 20.025 13.420 1.00 8.25 H new ATOM 0 HG3 MET A 1 -3.690 20.285 11.961 1.00 8.25 H new ATOM 0 HE1 MET A 1 -7.390 19.407 10.758 1.00 12.23 H new ATOM 0 HE2 MET A 1 -6.953 20.215 12.282 1.00 12.23 H new ATOM 0 HE3 MET A 1 -6.116 20.650 10.772 1.00 12.23 H new ATOM 20 N LEU A 2 -1.223 17.248 14.892 1.00 2.06 N ATOM 21 CA LEU A 2 -0.422 16.324 15.685 1.00 1.68 C ATOM 22 C LEU A 2 -0.376 14.958 14.996 1.00 1.65 C ATOM 23 O LEU A 2 -0.391 13.913 15.640 1.00 2.58 O ATOM 24 CB LEU A 2 -0.960 16.283 17.128 1.00 3.67 C ATOM 25 CG LEU A 2 -2.496 16.154 17.248 1.00 5.12 C ATOM 26 CD1 LEU A 2 -2.906 14.802 17.839 1.00 6.84 C ATOM 27 CD2 LEU A 2 -3.045 17.285 18.128 1.00 6.37 C ATOM 0 H LEU A 2 -1.972 16.784 14.378 1.00 2.06 H new ATOM 0 HA LEU A 2 0.612 16.663 15.754 1.00 1.68 H new ATOM 0 HB2 LEU A 2 -0.498 15.444 17.649 1.00 3.67 H new ATOM 0 HB3 LEU A 2 -0.645 17.190 17.643 1.00 3.67 H new ATOM 0 HG LEU A 2 -2.915 16.225 16.244 1.00 5.12 H new ATOM 0 HD11 LEU A 2 -3.993 14.749 17.908 1.00 6.84 H new ATOM 0 HD12 LEU A 2 -2.544 13.999 17.197 1.00 6.84 H new ATOM 0 HD13 LEU A 2 -2.474 14.694 18.834 1.00 6.84 H new ATOM 0 HD21 LEU A 2 -4.128 17.190 18.209 1.00 6.37 H new ATOM 0 HD22 LEU A 2 -2.599 17.222 19.121 1.00 6.37 H new ATOM 0 HD23 LEU A 2 -2.798 18.247 17.680 1.00 6.37 H new ATOM 39 N SER A 3 -0.303 14.989 13.664 1.00 0.87 N ATOM 40 CA SER A 3 -0.155 13.823 12.814 1.00 0.68 C ATOM 41 C SER A 3 1.320 13.737 12.427 1.00 0.62 C ATOM 42 O SER A 3 1.750 14.426 11.503 1.00 0.80 O ATOM 43 CB SER A 3 -1.062 13.985 11.584 1.00 0.71 C ATOM 44 OG SER A 3 -2.341 14.434 12.004 1.00 0.84 O ATOM 0 H SER A 3 -0.348 15.861 13.136 1.00 0.87 H new ATOM 0 HA SER A 3 -0.450 12.903 13.319 1.00 0.68 H new ATOM 0 HB2 SER A 3 -0.624 14.698 10.886 1.00 0.71 H new ATOM 0 HB3 SER A 3 -1.152 13.036 11.056 1.00 0.71 H new ATOM 0 HG SER A 3 -2.923 14.541 11.223 1.00 0.84 H new ATOM 50 N GLU A 4 2.106 12.925 13.140 1.00 0.61 N ATOM 51 CA GLU A 4 3.411 12.544 12.631 1.00 0.55 C ATOM 52 C GLU A 4 3.192 11.649 11.416 1.00 0.62 C ATOM 53 O GLU A 4 2.077 11.191 11.191 1.00 0.92 O ATOM 54 CB GLU A 4 4.225 11.819 13.701 1.00 0.60 C ATOM 55 CG GLU A 4 5.165 12.723 14.477 1.00 0.69 C ATOM 56 CD GLU A 4 6.214 11.925 15.246 1.00 1.09 C ATOM 57 OE1 GLU A 4 5.852 10.831 15.735 1.00 1.65 O ATOM 58 OE2 GLU A 4 7.362 12.412 15.308 1.00 2.47 O ATOM 0 H GLU A 4 1.863 12.531 14.049 1.00 0.61 H new ATOM 0 HA GLU A 4 3.977 13.432 12.348 1.00 0.55 H new ATOM 0 HB2 GLU A 4 3.541 11.337 14.400 1.00 0.60 H new ATOM 0 HB3 GLU A 4 4.806 11.028 13.227 1.00 0.60 H new ATOM 0 HG2 GLU A 4 5.661 13.407 13.789 1.00 0.69 H new ATOM 0 HG3 GLU A 4 4.590 13.333 15.174 1.00 0.69 H new ATOM 65 N GLN A 5 4.260 11.378 10.668 1.00 0.52 N ATOM 66 CA GLN A 5 4.251 10.498 9.512 1.00 0.52 C ATOM 67 C GLN A 5 5.349 9.467 9.688 1.00 0.47 C ATOM 68 O GLN A 5 6.391 9.806 10.245 1.00 0.51 O ATOM 69 CB GLN A 5 4.564 11.302 8.257 1.00 0.57 C ATOM 70 CG GLN A 5 3.460 12.285 7.861 1.00 0.63 C ATOM 71 CD GLN A 5 2.816 11.881 6.542 1.00 0.42 C ATOM 72 OE1 GLN A 5 2.651 12.707 5.653 1.00 0.98 O ATOM 73 NE2 GLN A 5 2.517 10.594 6.374 1.00 0.46 N ATOM 0 H GLN A 5 5.179 11.778 10.859 1.00 0.52 H new ATOM 0 HA GLN A 5 3.274 10.024 9.420 1.00 0.52 H new ATOM 0 HB2 GLN A 5 5.491 11.854 8.413 1.00 0.57 H new ATOM 0 HB3 GLN A 5 4.738 10.614 7.430 1.00 0.57 H new ATOM 0 HG2 GLN A 5 2.702 12.321 8.644 1.00 0.63 H new ATOM 0 HG3 GLN A 5 3.876 13.289 7.774 1.00 0.63 H new ATOM 0 HE21 GLN A 5 2.667 9.932 7.135 1.00 0.46 H new ATOM 0 HE22 GLN A 5 2.138 10.270 5.484 1.00 0.46 H new ATOM 82 N LYS A 6 5.149 8.248 9.178 1.00 0.43 N ATOM 83 CA LYS A 6 6.239 7.308 8.977 1.00 0.43 C ATOM 84 C LYS A 6 6.026 6.462 7.728 1.00 0.40 C ATOM 85 O LYS A 6 4.910 6.324 7.217 1.00 0.46 O ATOM 86 CB LYS A 6 6.494 6.427 10.212 1.00 0.62 C ATOM 87 CG LYS A 6 7.165 7.231 11.336 1.00 1.19 C ATOM 88 CD LYS A 6 7.791 6.353 12.422 1.00 1.16 C ATOM 89 CE LYS A 6 6.713 5.692 13.289 1.00 2.54 C ATOM 90 NZ LYS A 6 7.302 4.969 14.433 1.00 3.36 N ATOM 0 H LYS A 6 4.234 7.894 8.898 1.00 0.43 H new ATOM 0 HA LYS A 6 7.138 7.906 8.826 1.00 0.43 H new ATOM 0 HB2 LYS A 6 5.550 6.014 10.569 1.00 0.62 H new ATOM 0 HB3 LYS A 6 7.127 5.583 9.936 1.00 0.62 H new ATOM 0 HG2 LYS A 6 7.937 7.869 10.905 1.00 1.19 H new ATOM 0 HG3 LYS A 6 6.426 7.889 11.793 1.00 1.19 H new ATOM 0 HD2 LYS A 6 8.411 5.585 11.960 1.00 1.16 H new ATOM 0 HD3 LYS A 6 8.446 6.957 13.049 1.00 1.16 H new ATOM 0 HE2 LYS A 6 6.023 6.452 13.655 1.00 2.54 H new ATOM 0 HE3 LYS A 6 6.131 4.999 12.681 1.00 2.54 H new ATOM 0 HZ1 LYS A 6 6.544 4.535 14.997 1.00 3.36 H new ATOM 0 HZ2 LYS A 6 7.941 4.227 14.083 1.00 3.36 H new ATOM 0 HZ3 LYS A 6 7.837 5.635 15.026 1.00 3.36 H new ATOM 104 N GLU A 7 7.147 5.916 7.267 1.00 0.43 N ATOM 105 CA GLU A 7 7.294 4.996 6.167 1.00 0.48 C ATOM 106 C GLU A 7 7.358 3.580 6.736 1.00 0.70 C ATOM 107 O GLU A 7 7.896 3.350 7.818 1.00 1.53 O ATOM 108 CB GLU A 7 8.576 5.300 5.368 1.00 0.48 C ATOM 109 CG GLU A 7 9.106 6.742 5.471 1.00 0.48 C ATOM 110 CD GLU A 7 10.031 6.951 6.672 1.00 0.66 C ATOM 111 OE1 GLU A 7 9.505 6.970 7.807 1.00 0.87 O ATOM 112 OE2 GLU A 7 11.250 7.068 6.432 1.00 1.71 O ATOM 0 H GLU A 7 8.047 6.131 7.697 1.00 0.43 H new ATOM 0 HA GLU A 7 6.446 5.097 5.489 1.00 0.48 H new ATOM 0 HB2 GLU A 7 9.360 4.621 5.703 1.00 0.48 H new ATOM 0 HB3 GLU A 7 8.388 5.077 4.318 1.00 0.48 H new ATOM 0 HG2 GLU A 7 9.644 6.992 4.557 1.00 0.48 H new ATOM 0 HG3 GLU A 7 8.263 7.429 5.544 1.00 0.48 H new ATOM 119 N ILE A 8 6.807 2.631 5.989 1.00 0.49 N ATOM 120 CA ILE A 8 6.857 1.205 6.250 1.00 0.52 C ATOM 121 C ILE A 8 7.363 0.563 4.961 1.00 0.50 C ATOM 122 O ILE A 8 7.274 1.194 3.907 1.00 0.44 O ATOM 123 CB ILE A 8 5.461 0.689 6.659 1.00 0.59 C ATOM 124 CG1 ILE A 8 4.266 1.522 6.185 1.00 1.69 C ATOM 125 CG2 ILE A 8 5.400 0.443 8.159 1.00 1.29 C ATOM 126 CD1 ILE A 8 3.977 2.654 7.163 1.00 2.31 C ATOM 0 H ILE A 8 6.286 2.852 5.140 1.00 0.49 H new ATOM 0 HA ILE A 8 7.520 0.956 7.079 1.00 0.52 H new ATOM 0 HB ILE A 8 5.350 -0.251 6.119 1.00 0.59 H new ATOM 0 HG12 ILE A 8 4.472 1.932 5.196 1.00 1.69 H new ATOM 0 HG13 ILE A 8 3.387 0.884 6.089 1.00 1.69 H new ATOM 0 HG21 ILE A 8 4.408 0.080 8.428 1.00 1.29 H new ATOM 0 HG22 ILE A 8 6.147 -0.301 8.436 1.00 1.29 H new ATOM 0 HG23 ILE A 8 5.601 1.374 8.689 1.00 1.29 H new ATOM 0 HD11 ILE A 8 3.125 3.233 6.808 1.00 2.31 H new ATOM 0 HD12 ILE A 8 3.749 2.238 8.144 1.00 2.31 H new ATOM 0 HD13 ILE A 8 4.850 3.302 7.238 1.00 2.31 H new ATOM 138 N ALA A 9 7.914 -0.653 5.033 1.00 0.58 N ATOM 139 CA ALA A 9 8.428 -1.389 3.885 1.00 0.62 C ATOM 140 C ALA A 9 7.974 -2.840 4.018 1.00 0.81 C ATOM 141 O ALA A 9 8.144 -3.431 5.079 1.00 0.97 O ATOM 142 CB ALA A 9 9.956 -1.298 3.862 1.00 0.65 C ATOM 0 H ALA A 9 8.015 -1.160 5.913 1.00 0.58 H new ATOM 0 HA ALA A 9 8.051 -0.970 2.952 1.00 0.62 H new ATOM 0 HB1 ALA A 9 10.340 -1.849 3.003 1.00 0.65 H new ATOM 0 HB2 ALA A 9 10.257 -0.253 3.788 1.00 0.65 H new ATOM 0 HB3 ALA A 9 10.360 -1.728 4.779 1.00 0.65 H new ATOM 148 N MET A 10 7.351 -3.408 2.984 1.00 0.79 N ATOM 149 CA MET A 10 6.754 -4.736 3.086 1.00 0.79 C ATOM 150 C MET A 10 6.646 -5.390 1.707 1.00 0.54 C ATOM 151 O MET A 10 7.005 -4.777 0.700 1.00 0.49 O ATOM 152 CB MET A 10 5.402 -4.626 3.805 1.00 0.98 C ATOM 153 CG MET A 10 4.375 -3.955 2.892 1.00 1.50 C ATOM 154 SD MET A 10 3.195 -2.836 3.678 1.00 1.56 S ATOM 155 CE MET A 10 4.289 -1.414 3.881 1.00 2.57 C ATOM 0 H MET A 10 7.248 -2.968 2.069 1.00 0.79 H new ATOM 0 HA MET A 10 7.394 -5.390 3.679 1.00 0.79 H new ATOM 0 HB2 MET A 10 5.052 -5.618 4.092 1.00 0.98 H new ATOM 0 HB3 MET A 10 5.515 -4.050 4.723 1.00 0.98 H new ATOM 0 HG2 MET A 10 4.914 -3.397 2.126 1.00 1.50 H new ATOM 0 HG3 MET A 10 3.813 -4.737 2.380 1.00 1.50 H new ATOM 0 HE1 MET A 10 3.777 -0.639 4.451 1.00 2.57 H new ATOM 0 HE2 MET A 10 5.189 -1.721 4.413 1.00 2.57 H new ATOM 0 HE3 MET A 10 4.562 -1.022 2.901 1.00 2.57 H new ATOM 165 N GLN A 11 6.161 -6.633 1.674 1.00 0.43 N ATOM 166 CA GLN A 11 6.061 -7.463 0.485 1.00 0.34 C ATOM 167 C GLN A 11 4.644 -7.391 -0.102 1.00 0.31 C ATOM 168 O GLN A 11 3.711 -6.968 0.576 1.00 0.38 O ATOM 169 CB GLN A 11 6.460 -8.894 0.889 1.00 0.37 C ATOM 170 CG GLN A 11 7.971 -9.060 1.110 1.00 0.74 C ATOM 171 CD GLN A 11 8.751 -8.670 -0.129 1.00 1.30 C ATOM 172 OE1 GLN A 11 9.707 -7.906 -0.059 1.00 2.52 O ATOM 173 NE2 GLN A 11 8.284 -9.137 -1.281 1.00 0.91 N ATOM 0 H GLN A 11 5.815 -7.102 2.511 1.00 0.43 H new ATOM 0 HA GLN A 11 6.730 -7.112 -0.301 1.00 0.34 H new ATOM 0 HB2 GLN A 11 5.933 -9.167 1.803 1.00 0.37 H new ATOM 0 HB3 GLN A 11 6.134 -9.588 0.114 1.00 0.37 H new ATOM 0 HG2 GLN A 11 8.288 -8.444 1.952 1.00 0.74 H new ATOM 0 HG3 GLN A 11 8.192 -10.095 1.371 1.00 0.74 H new ATOM 0 HE21 GLN A 11 7.485 -9.771 -1.288 1.00 0.91 H new ATOM 0 HE22 GLN A 11 8.724 -8.862 -2.159 1.00 0.91 H new ATOM 182 N VAL A 12 4.478 -7.780 -1.372 1.00 0.34 N ATOM 183 CA VAL A 12 3.226 -7.667 -2.129 1.00 0.36 C ATOM 184 C VAL A 12 2.711 -9.065 -2.494 1.00 0.42 C ATOM 185 O VAL A 12 3.494 -10.013 -2.533 1.00 0.64 O ATOM 186 CB VAL A 12 3.480 -6.813 -3.389 1.00 0.54 C ATOM 187 CG1 VAL A 12 2.201 -6.592 -4.213 1.00 1.15 C ATOM 188 CG2 VAL A 12 4.029 -5.439 -2.994 1.00 1.06 C ATOM 0 H VAL A 12 5.234 -8.194 -1.917 1.00 0.34 H new ATOM 0 HA VAL A 12 2.461 -7.179 -1.525 1.00 0.36 H new ATOM 0 HB VAL A 12 4.199 -7.363 -3.996 1.00 0.54 H new ATOM 0 HG11 VAL A 12 2.433 -5.986 -5.089 1.00 1.15 H new ATOM 0 HG12 VAL A 12 1.804 -7.555 -4.533 1.00 1.15 H new ATOM 0 HG13 VAL A 12 1.459 -6.078 -3.602 1.00 1.15 H new ATOM 0 HG21 VAL A 12 4.204 -4.846 -3.891 1.00 1.06 H new ATOM 0 HG22 VAL A 12 3.307 -4.928 -2.356 1.00 1.06 H new ATOM 0 HG23 VAL A 12 4.967 -5.564 -2.453 1.00 1.06 H new ATOM 198 N SER A 13 1.409 -9.217 -2.770 1.00 0.50 N ATOM 199 CA SER A 13 0.844 -10.435 -3.341 1.00 0.63 C ATOM 200 C SER A 13 -0.432 -10.120 -4.129 1.00 0.73 C ATOM 201 O SER A 13 -0.949 -9.007 -4.082 1.00 0.78 O ATOM 202 CB SER A 13 0.591 -11.463 -2.232 1.00 0.72 C ATOM 203 OG SER A 13 1.803 -12.104 -1.894 1.00 0.91 O ATOM 0 H SER A 13 0.716 -8.488 -2.600 1.00 0.50 H new ATOM 0 HA SER A 13 1.557 -10.867 -4.043 1.00 0.63 H new ATOM 0 HB2 SER A 13 0.172 -10.971 -1.355 1.00 0.72 H new ATOM 0 HB3 SER A 13 -0.141 -12.199 -2.565 1.00 0.72 H new ATOM 0 HG SER A 13 2.554 -11.501 -2.076 1.00 0.91 H new ATOM 209 N GLY A 14 -0.930 -11.110 -4.875 1.00 0.86 N ATOM 210 CA GLY A 14 -2.071 -10.926 -5.761 1.00 0.97 C ATOM 211 C GLY A 14 -1.749 -9.867 -6.816 1.00 1.06 C ATOM 212 O GLY A 14 -2.412 -8.837 -6.888 1.00 1.92 O ATOM 0 H GLY A 14 -0.551 -12.057 -4.878 1.00 0.86 H new ATOM 0 HA2 GLY A 14 -2.321 -11.870 -6.246 1.00 0.97 H new ATOM 0 HA3 GLY A 14 -2.945 -10.622 -5.184 1.00 0.97 H new ATOM 216 N MET A 15 -0.709 -10.121 -7.617 1.00 0.78 N ATOM 217 CA MET A 15 -0.184 -9.184 -8.597 1.00 0.79 C ATOM 218 C MET A 15 0.302 -9.937 -9.829 1.00 0.86 C ATOM 219 O MET A 15 0.438 -11.158 -9.791 1.00 1.02 O ATOM 220 CB MET A 15 0.936 -8.347 -7.959 1.00 0.84 C ATOM 221 CG MET A 15 2.162 -9.136 -7.476 1.00 0.97 C ATOM 222 SD MET A 15 3.369 -9.594 -8.748 1.00 1.38 S ATOM 223 CE MET A 15 4.637 -10.358 -7.714 1.00 2.01 C ATOM 0 H MET A 15 -0.202 -11.006 -7.596 1.00 0.78 H new ATOM 0 HA MET A 15 -0.972 -8.503 -8.919 1.00 0.79 H new ATOM 0 HB2 MET A 15 1.267 -7.604 -8.684 1.00 0.84 H new ATOM 0 HB3 MET A 15 0.520 -7.802 -7.111 1.00 0.84 H new ATOM 0 HG2 MET A 15 2.673 -8.545 -6.716 1.00 0.97 H new ATOM 0 HG3 MET A 15 1.814 -10.047 -6.990 1.00 0.97 H new ATOM 0 HE1 MET A 15 5.461 -10.699 -8.341 1.00 2.01 H new ATOM 0 HE2 MET A 15 5.007 -9.629 -6.994 1.00 2.01 H new ATOM 0 HE3 MET A 15 4.209 -11.208 -7.182 1.00 2.01 H new ATOM 233 N THR A 16 0.570 -9.190 -10.901 1.00 1.07 N ATOM 234 CA THR A 16 1.211 -9.678 -12.114 1.00 1.31 C ATOM 235 C THR A 16 2.135 -8.589 -12.661 1.00 1.29 C ATOM 236 O THR A 16 3.349 -8.769 -12.647 1.00 1.95 O ATOM 237 CB THR A 16 0.169 -10.124 -13.156 1.00 1.66 C ATOM 238 OG1 THR A 16 -1.004 -9.339 -13.038 1.00 1.76 O ATOM 239 CG2 THR A 16 -0.189 -11.606 -13.009 1.00 2.32 C ATOM 0 H THR A 16 0.338 -8.198 -10.946 1.00 1.07 H new ATOM 0 HA THR A 16 1.808 -10.560 -11.880 1.00 1.31 H new ATOM 0 HB THR A 16 0.612 -9.982 -14.142 1.00 1.66 H new ATOM 0 HG1 THR A 16 -1.660 -9.629 -13.706 1.00 1.76 H new ATOM 0 HG21 THR A 16 -0.927 -11.879 -13.763 1.00 2.32 H new ATOM 0 HG22 THR A 16 0.707 -12.212 -13.143 1.00 2.32 H new ATOM 0 HG23 THR A 16 -0.602 -11.784 -12.016 1.00 2.32 H new ATOM 247 N CYS A 17 1.572 -7.472 -13.138 1.00 0.98 N ATOM 248 CA CYS A 17 2.362 -6.388 -13.711 1.00 1.40 C ATOM 249 C CYS A 17 2.583 -5.267 -12.694 1.00 1.37 C ATOM 250 O CYS A 17 1.745 -5.006 -11.825 1.00 2.17 O ATOM 251 CB CYS A 17 1.741 -5.890 -15.025 1.00 1.68 C ATOM 252 SG CYS A 17 0.308 -4.810 -14.766 1.00 1.86 S ATOM 0 H CYS A 17 0.567 -7.300 -13.136 1.00 0.98 H new ATOM 0 HA CYS A 17 3.350 -6.775 -13.961 1.00 1.40 H new ATOM 0 HB2 CYS A 17 2.497 -5.351 -15.596 1.00 1.68 H new ATOM 0 HB3 CYS A 17 1.439 -6.748 -15.626 1.00 1.68 H new ATOM 257 N ALA A 18 3.705 -4.557 -12.828 1.00 1.38 N ATOM 258 CA ALA A 18 4.046 -3.421 -11.983 1.00 1.36 C ATOM 259 C ALA A 18 3.270 -2.169 -12.414 1.00 1.16 C ATOM 260 O ALA A 18 3.854 -1.095 -12.546 1.00 1.89 O ATOM 261 CB ALA A 18 5.562 -3.201 -12.036 1.00 1.85 C ATOM 0 H ALA A 18 4.409 -4.761 -13.537 1.00 1.38 H new ATOM 0 HA ALA A 18 3.759 -3.627 -10.952 1.00 1.36 H new ATOM 0 HB1 ALA A 18 5.829 -2.352 -11.406 1.00 1.85 H new ATOM 0 HB2 ALA A 18 6.072 -4.094 -11.676 1.00 1.85 H new ATOM 0 HB3 ALA A 18 5.865 -3.000 -13.064 1.00 1.85 H new ATOM 267 N ALA A 19 1.957 -2.302 -12.630 1.00 0.72 N ATOM 268 CA ALA A 19 1.071 -1.207 -13.001 1.00 0.62 C ATOM 269 C ALA A 19 -0.206 -1.290 -12.173 1.00 0.51 C ATOM 270 O ALA A 19 -0.529 -0.342 -11.463 1.00 0.59 O ATOM 271 CB ALA A 19 0.792 -1.199 -14.505 1.00 0.68 C ATOM 0 H ALA A 19 1.475 -3.197 -12.548 1.00 0.72 H new ATOM 0 HA ALA A 19 1.559 -0.258 -12.781 1.00 0.62 H new ATOM 0 HB1 ALA A 19 0.128 -0.369 -14.747 1.00 0.68 H new ATOM 0 HB2 ALA A 19 1.730 -1.084 -15.048 1.00 0.68 H new ATOM 0 HB3 ALA A 19 0.319 -2.138 -14.792 1.00 0.68 H new ATOM 277 N CYS A 20 -0.897 -2.436 -12.168 1.00 0.45 N ATOM 278 CA CYS A 20 -1.969 -2.641 -11.198 1.00 0.40 C ATOM 279 C CYS A 20 -1.426 -2.446 -9.784 1.00 0.33 C ATOM 280 O CYS A 20 -2.060 -1.826 -8.935 1.00 0.37 O ATOM 281 CB CYS A 20 -2.592 -4.036 -11.333 1.00 0.46 C ATOM 282 SG CYS A 20 -3.068 -4.393 -13.042 1.00 1.19 S ATOM 0 H CYS A 20 -0.737 -3.214 -12.808 1.00 0.45 H new ATOM 0 HA CYS A 20 -2.751 -1.908 -11.396 1.00 0.40 H new ATOM 0 HB2 CYS A 20 -1.881 -4.787 -10.989 1.00 0.46 H new ATOM 0 HB3 CYS A 20 -3.468 -4.107 -10.689 1.00 0.46 H new ATOM 287 N ALA A 21 -0.197 -2.907 -9.559 1.00 0.36 N ATOM 288 CA ALA A 21 0.497 -2.723 -8.301 1.00 0.41 C ATOM 289 C ALA A 21 0.632 -1.240 -7.913 1.00 0.35 C ATOM 290 O ALA A 21 0.813 -0.933 -6.744 1.00 0.46 O ATOM 291 CB ALA A 21 1.848 -3.437 -8.384 1.00 0.56 C ATOM 0 H ALA A 21 0.343 -3.422 -10.255 1.00 0.36 H new ATOM 0 HA ALA A 21 -0.092 -3.166 -7.498 1.00 0.41 H new ATOM 0 HB1 ALA A 21 2.385 -3.309 -7.444 1.00 0.56 H new ATOM 0 HB2 ALA A 21 1.687 -4.499 -8.569 1.00 0.56 H new ATOM 0 HB3 ALA A 21 2.435 -3.012 -9.198 1.00 0.56 H new ATOM 297 N ALA A 22 0.567 -0.300 -8.864 1.00 0.31 N ATOM 298 CA ALA A 22 0.487 1.124 -8.564 1.00 0.33 C ATOM 299 C ALA A 22 -0.899 1.488 -8.035 1.00 0.39 C ATOM 300 O ALA A 22 -1.030 2.327 -7.143 1.00 0.30 O ATOM 301 CB ALA A 22 0.786 1.939 -9.824 1.00 0.44 C ATOM 0 H ALA A 22 0.569 -0.511 -9.862 1.00 0.31 H new ATOM 0 HA ALA A 22 1.225 1.356 -7.796 1.00 0.33 H new ATOM 0 HB1 ALA A 22 0.724 3.002 -9.593 1.00 0.44 H new ATOM 0 HB2 ALA A 22 1.788 1.703 -10.181 1.00 0.44 H new ATOM 0 HB3 ALA A 22 0.058 1.693 -10.597 1.00 0.44 H new ATOM 307 N ARG A 23 -1.939 0.904 -8.640 1.00 0.57 N ATOM 308 CA ARG A 23 -3.320 1.271 -8.386 1.00 0.61 C ATOM 309 C ARG A 23 -3.625 1.130 -6.903 1.00 0.56 C ATOM 310 O ARG A 23 -4.316 1.986 -6.353 1.00 0.55 O ATOM 311 CB ARG A 23 -4.292 0.440 -9.240 1.00 0.77 C ATOM 312 CG ARG A 23 -4.102 0.678 -10.746 1.00 0.98 C ATOM 313 CD ARG A 23 -4.889 1.902 -11.233 1.00 1.59 C ATOM 314 NE ARG A 23 -6.321 1.583 -11.374 1.00 2.41 N ATOM 315 CZ ARG A 23 -7.286 2.463 -11.684 1.00 3.55 C ATOM 316 NH1 ARG A 23 -6.998 3.768 -11.759 1.00 4.46 N ATOM 317 NH2 ARG A 23 -8.531 2.035 -11.921 1.00 4.43 N ATOM 0 H ARG A 23 -1.835 0.156 -9.326 1.00 0.57 H new ATOM 0 HA ARG A 23 -3.460 2.313 -8.674 1.00 0.61 H new ATOM 0 HB2 ARG A 23 -4.149 -0.618 -9.022 1.00 0.77 H new ATOM 0 HB3 ARG A 23 -5.317 0.687 -8.963 1.00 0.77 H new ATOM 0 HG2 ARG A 23 -3.043 0.818 -10.961 1.00 0.98 H new ATOM 0 HG3 ARG A 23 -4.425 -0.205 -11.297 1.00 0.98 H new ATOM 0 HD2 ARG A 23 -4.763 2.724 -10.529 1.00 1.59 H new ATOM 0 HD3 ARG A 23 -4.491 2.238 -12.190 1.00 1.59 H new ATOM 0 HE ARG A 23 -6.602 0.614 -11.224 1.00 2.41 H new ATOM 0 HH11 ARG A 23 -6.047 4.091 -11.581 1.00 4.46 H new ATOM 0 HH12 ARG A 23 -7.729 4.439 -11.994 1.00 4.46 H new ATOM 0 HH21 ARG A 23 -8.747 1.040 -11.866 1.00 4.43 H new ATOM 0 HH22 ARG A 23 -9.264 2.704 -12.157 1.00 4.43 H new ATOM 331 N ILE A 24 -3.101 0.083 -6.251 1.00 0.61 N ATOM 332 CA ILE A 24 -3.324 -0.053 -4.820 1.00 0.67 C ATOM 333 C ILE A 24 -2.760 1.149 -4.055 1.00 0.55 C ATOM 334 O ILE A 24 -3.548 1.948 -3.557 1.00 0.47 O ATOM 335 CB ILE A 24 -2.888 -1.406 -4.237 1.00 0.88 C ATOM 336 CG1 ILE A 24 -1.646 -1.981 -4.923 1.00 0.50 C ATOM 337 CG2 ILE A 24 -4.011 -2.432 -4.354 1.00 1.67 C ATOM 338 CD1 ILE A 24 -0.858 -2.936 -4.020 1.00 0.83 C ATOM 0 H ILE A 24 -2.541 -0.654 -6.679 1.00 0.61 H new ATOM 0 HA ILE A 24 -4.405 -0.049 -4.679 1.00 0.67 H new ATOM 0 HB ILE A 24 -2.647 -1.212 -3.192 1.00 0.88 H new ATOM 0 HG12 ILE A 24 -1.948 -2.509 -5.827 1.00 0.50 H new ATOM 0 HG13 ILE A 24 -0.996 -1.163 -5.234 1.00 0.50 H new ATOM 0 HG21 ILE A 24 -3.681 -3.383 -3.935 1.00 1.67 H new ATOM 0 HG22 ILE A 24 -4.885 -2.079 -3.807 1.00 1.67 H new ATOM 0 HG23 ILE A 24 -4.271 -2.569 -5.404 1.00 1.67 H new ATOM 0 HD11 ILE A 24 0.011 -3.312 -4.559 1.00 0.83 H new ATOM 0 HD12 ILE A 24 -0.529 -2.404 -3.127 1.00 0.83 H new ATOM 0 HD13 ILE A 24 -1.495 -3.772 -3.730 1.00 0.83 H new ATOM 350 N GLU A 25 -1.443 1.366 -4.039 1.00 0.58 N ATOM 351 CA GLU A 25 -0.810 2.505 -3.379 1.00 0.50 C ATOM 352 C GLU A 25 -1.508 3.824 -3.710 1.00 0.36 C ATOM 353 O GLU A 25 -1.764 4.646 -2.831 1.00 0.36 O ATOM 354 CB GLU A 25 0.682 2.541 -3.757 1.00 0.47 C ATOM 355 CG GLU A 25 1.514 1.680 -2.791 1.00 0.47 C ATOM 356 CD GLU A 25 0.870 0.329 -2.573 1.00 1.02 C ATOM 357 OE1 GLU A 25 0.627 -0.318 -3.608 1.00 2.47 O ATOM 358 OE2 GLU A 25 0.579 0.006 -1.402 1.00 1.94 O ATOM 0 H GLU A 25 -0.776 0.742 -4.493 1.00 0.58 H new ATOM 0 HA GLU A 25 -0.903 2.379 -2.300 1.00 0.50 H new ATOM 0 HB2 GLU A 25 0.812 2.179 -4.777 1.00 0.47 H new ATOM 0 HB3 GLU A 25 1.042 3.570 -3.736 1.00 0.47 H new ATOM 0 HG2 GLU A 25 2.519 1.547 -3.191 1.00 0.47 H new ATOM 0 HG3 GLU A 25 1.617 2.196 -1.836 1.00 0.47 H new ATOM 365 N LYS A 26 -1.828 4.047 -4.980 1.00 0.30 N ATOM 366 CA LYS A 26 -2.431 5.303 -5.404 1.00 0.26 C ATOM 367 C LYS A 26 -3.879 5.408 -4.896 1.00 0.27 C ATOM 368 O LYS A 26 -4.333 6.494 -4.539 1.00 0.46 O ATOM 369 CB LYS A 26 -2.249 5.474 -6.918 1.00 0.39 C ATOM 370 CG LYS A 26 -0.865 6.050 -7.283 1.00 0.43 C ATOM 371 CD LYS A 26 0.336 5.379 -6.598 1.00 1.11 C ATOM 372 CE LYS A 26 1.647 6.067 -7.007 1.00 0.80 C ATOM 373 NZ LYS A 26 2.793 5.565 -6.226 1.00 1.98 N ATOM 0 H LYS A 26 -1.680 3.374 -5.732 1.00 0.30 H new ATOM 0 HA LYS A 26 -1.922 6.153 -4.949 1.00 0.26 H new ATOM 0 HB2 LYS A 26 -2.379 4.509 -7.408 1.00 0.39 H new ATOM 0 HB3 LYS A 26 -3.027 6.134 -7.302 1.00 0.39 H new ATOM 0 HG2 LYS A 26 -0.733 5.975 -8.362 1.00 0.43 H new ATOM 0 HG3 LYS A 26 -0.856 7.111 -7.034 1.00 0.43 H new ATOM 0 HD2 LYS A 26 0.217 5.426 -5.516 1.00 1.11 H new ATOM 0 HD3 LYS A 26 0.373 4.324 -6.869 1.00 1.11 H new ATOM 0 HE2 LYS A 26 1.829 5.901 -8.069 1.00 0.80 H new ATOM 0 HE3 LYS A 26 1.553 7.144 -6.864 1.00 0.80 H new ATOM 0 HZ1 LYS A 26 3.552 6.276 -6.228 1.00 1.98 H new ATOM 0 HZ2 LYS A 26 2.493 5.382 -5.247 1.00 1.98 H new ATOM 0 HZ3 LYS A 26 3.143 4.683 -6.652 1.00 1.98 H new ATOM 387 N GLY A 27 -4.600 4.287 -4.800 1.00 0.45 N ATOM 388 CA GLY A 27 -5.893 4.240 -4.132 1.00 0.54 C ATOM 389 C GLY A 27 -5.759 4.354 -2.611 1.00 0.55 C ATOM 390 O GLY A 27 -6.676 4.850 -1.959 1.00 0.61 O ATOM 0 H GLY A 27 -4.300 3.391 -5.184 1.00 0.45 H new ATOM 0 HA2 GLY A 27 -6.522 5.050 -4.502 1.00 0.54 H new ATOM 0 HA3 GLY A 27 -6.396 3.306 -4.382 1.00 0.54 H new ATOM 394 N LEU A 28 -4.642 3.899 -2.036 1.00 0.66 N ATOM 395 CA LEU A 28 -4.360 4.028 -0.608 1.00 0.81 C ATOM 396 C LEU A 28 -4.096 5.497 -0.272 1.00 0.75 C ATOM 397 O LEU A 28 -4.650 5.998 0.700 1.00 0.85 O ATOM 398 CB LEU A 28 -3.191 3.124 -0.189 1.00 1.08 C ATOM 399 CG LEU A 28 -3.576 1.708 0.286 1.00 0.63 C ATOM 400 CD1 LEU A 28 -4.628 0.987 -0.557 1.00 2.90 C ATOM 401 CD2 LEU A 28 -2.299 0.863 0.318 1.00 2.60 C ATOM 0 H LEU A 28 -3.902 3.427 -2.556 1.00 0.66 H new ATOM 0 HA LEU A 28 -5.229 3.696 -0.039 1.00 0.81 H new ATOM 0 HB2 LEU A 28 -2.508 3.031 -1.033 1.00 1.08 H new ATOM 0 HB3 LEU A 28 -2.642 3.619 0.612 1.00 1.08 H new ATOM 0 HG LEU A 28 -4.038 1.831 1.266 1.00 0.63 H new ATOM 0 HD11 LEU A 28 -4.822 0.002 -0.133 1.00 2.90 H new ATOM 0 HD12 LEU A 28 -5.550 1.568 -0.562 1.00 2.90 H new ATOM 0 HD13 LEU A 28 -4.263 0.877 -1.578 1.00 2.90 H new ATOM 0 HD21 LEU A 28 -2.539 -0.147 0.651 1.00 2.60 H new ATOM 0 HD22 LEU A 28 -1.865 0.822 -0.681 1.00 2.60 H new ATOM 0 HD23 LEU A 28 -1.583 1.312 1.007 1.00 2.60 H new ATOM 413 N LYS A 29 -3.314 6.212 -1.088 1.00 0.65 N ATOM 414 CA LYS A 29 -3.088 7.651 -0.940 1.00 0.71 C ATOM 415 C LYS A 29 -4.405 8.428 -0.803 1.00 0.65 C ATOM 416 O LYS A 29 -4.449 9.471 -0.158 1.00 0.82 O ATOM 417 CB LYS A 29 -2.255 8.167 -2.126 1.00 0.68 C ATOM 418 CG LYS A 29 -1.982 9.677 -2.029 1.00 1.29 C ATOM 419 CD LYS A 29 -1.068 10.146 -3.170 1.00 1.15 C ATOM 420 CE LYS A 29 -0.649 11.623 -3.058 1.00 1.89 C ATOM 421 NZ LYS A 29 -1.798 12.541 -2.940 1.00 2.68 N ATOM 0 H LYS A 29 -2.816 5.802 -1.878 1.00 0.65 H new ATOM 0 HA LYS A 29 -2.533 7.818 -0.017 1.00 0.71 H new ATOM 0 HB2 LYS A 29 -1.307 7.630 -2.164 1.00 0.68 H new ATOM 0 HB3 LYS A 29 -2.780 7.953 -3.057 1.00 0.68 H new ATOM 0 HG2 LYS A 29 -2.924 10.223 -2.065 1.00 1.29 H new ATOM 0 HG3 LYS A 29 -1.518 9.905 -1.069 1.00 1.29 H new ATOM 0 HD2 LYS A 29 -0.173 9.524 -3.186 1.00 1.15 H new ATOM 0 HD3 LYS A 29 -1.580 9.993 -4.120 1.00 1.15 H new ATOM 0 HE2 LYS A 29 -0.002 11.746 -2.190 1.00 1.89 H new ATOM 0 HE3 LYS A 29 -0.062 11.896 -3.935 1.00 1.89 H new ATOM 0 HZ1 LYS A 29 -1.455 13.521 -2.885 1.00 2.68 H new ATOM 0 HZ2 LYS A 29 -2.413 12.436 -3.772 1.00 2.68 H new ATOM 0 HZ3 LYS A 29 -2.337 12.314 -2.080 1.00 2.68 H new ATOM 435 N ARG A 30 -5.470 7.943 -1.441 1.00 0.49 N ATOM 436 CA ARG A 30 -6.788 8.562 -1.397 1.00 0.48 C ATOM 437 C ARG A 30 -7.538 8.323 -0.076 1.00 0.49 C ATOM 438 O ARG A 30 -8.636 8.853 0.086 1.00 0.59 O ATOM 439 CB ARG A 30 -7.596 8.062 -2.606 1.00 0.50 C ATOM 440 CG ARG A 30 -7.437 9.015 -3.794 1.00 0.95 C ATOM 441 CD ARG A 30 -8.109 8.412 -5.031 1.00 2.40 C ATOM 442 NE ARG A 30 -8.342 9.431 -6.065 1.00 2.71 N ATOM 443 CZ ARG A 30 -9.026 9.214 -7.200 1.00 3.93 C ATOM 444 NH1 ARG A 30 -9.420 7.973 -7.506 1.00 5.23 N ATOM 445 NH2 ARG A 30 -9.317 10.233 -8.017 1.00 4.20 N ATOM 0 H ARG A 30 -5.438 7.097 -2.010 1.00 0.49 H new ATOM 0 HA ARG A 30 -6.659 9.643 -1.448 1.00 0.48 H new ATOM 0 HB2 ARG A 30 -7.260 7.064 -2.887 1.00 0.50 H new ATOM 0 HB3 ARG A 30 -8.649 7.980 -2.337 1.00 0.50 H new ATOM 0 HG2 ARG A 30 -7.884 9.981 -3.560 1.00 0.95 H new ATOM 0 HG3 ARG A 30 -6.380 9.192 -3.992 1.00 0.95 H new ATOM 0 HD2 ARG A 30 -7.483 7.617 -5.436 1.00 2.40 H new ATOM 0 HD3 ARG A 30 -9.058 7.957 -4.746 1.00 2.40 H new ATOM 0 HE ARG A 30 -7.959 10.364 -5.910 1.00 2.71 H new ATOM 0 HH11 ARG A 30 -9.201 7.199 -6.879 1.00 5.23 H new ATOM 0 HH12 ARG A 30 -9.940 7.801 -8.366 1.00 5.23 H new ATOM 0 HH21 ARG A 30 -9.019 11.179 -7.779 1.00 4.20 H new ATOM 0 HH22 ARG A 30 -9.837 10.064 -8.878 1.00 4.20 H new ATOM 459 N MET A 31 -6.996 7.530 0.852 1.00 0.50 N ATOM 460 CA MET A 31 -7.644 7.209 2.118 1.00 0.49 C ATOM 461 C MET A 31 -7.194 8.184 3.205 1.00 0.40 C ATOM 462 O MET A 31 -6.063 8.670 3.154 1.00 0.37 O ATOM 463 CB MET A 31 -7.294 5.769 2.512 1.00 0.56 C ATOM 464 CG MET A 31 -7.708 4.786 1.416 1.00 1.89 C ATOM 465 SD MET A 31 -9.472 4.769 0.978 1.00 3.53 S ATOM 466 CE MET A 31 -10.224 4.191 2.520 1.00 3.38 C ATOM 0 H MET A 31 -6.083 7.089 0.740 1.00 0.50 H new ATOM 0 HA MET A 31 -8.724 7.299 2.006 1.00 0.49 H new ATOM 0 HB2 MET A 31 -6.222 5.688 2.693 1.00 0.56 H new ATOM 0 HB3 MET A 31 -7.795 5.511 3.445 1.00 0.56 H new ATOM 0 HG2 MET A 31 -7.134 5.013 0.518 1.00 1.89 H new ATOM 0 HG3 MET A 31 -7.423 3.782 1.731 1.00 1.89 H new ATOM 0 HE1 MET A 31 -11.155 3.669 2.298 1.00 3.38 H new ATOM 0 HE2 MET A 31 -9.539 3.511 3.026 1.00 3.38 H new ATOM 0 HE3 MET A 31 -10.432 5.044 3.166 1.00 3.38 H new ATOM 476 N PRO A 32 -8.047 8.464 4.207 1.00 0.47 N ATOM 477 CA PRO A 32 -7.654 9.276 5.343 1.00 0.43 C ATOM 478 C PRO A 32 -6.433 8.641 6.016 1.00 0.43 C ATOM 479 O PRO A 32 -6.275 7.419 6.011 1.00 0.62 O ATOM 480 CB PRO A 32 -8.882 9.329 6.259 1.00 0.53 C ATOM 481 CG PRO A 32 -9.624 8.036 5.927 1.00 0.62 C ATOM 482 CD PRO A 32 -9.361 7.881 4.430 1.00 0.62 C ATOM 0 HA PRO A 32 -7.358 10.289 5.070 1.00 0.43 H new ATOM 0 HB2 PRO A 32 -8.598 9.371 7.310 1.00 0.53 H new ATOM 0 HB3 PRO A 32 -9.495 10.208 6.059 1.00 0.53 H new ATOM 0 HG2 PRO A 32 -9.240 7.190 6.497 1.00 0.62 H new ATOM 0 HG3 PRO A 32 -10.689 8.111 6.147 1.00 0.62 H new ATOM 0 HD2 PRO A 32 -9.381 6.832 4.134 1.00 0.62 H new ATOM 0 HD3 PRO A 32 -10.123 8.393 3.842 1.00 0.62 H new ATOM 490 N GLY A 33 -5.524 9.479 6.518 1.00 0.42 N ATOM 491 CA GLY A 33 -4.326 9.020 7.197 1.00 0.45 C ATOM 492 C GLY A 33 -3.150 8.785 6.255 1.00 0.39 C ATOM 493 O GLY A 33 -2.006 8.948 6.667 1.00 0.49 O ATOM 0 H GLY A 33 -5.604 10.494 6.462 1.00 0.42 H new ATOM 0 HA2 GLY A 33 -4.039 9.755 7.949 1.00 0.45 H new ATOM 0 HA3 GLY A 33 -4.549 8.094 7.726 1.00 0.45 H new ATOM 497 N VAL A 34 -3.394 8.367 5.010 1.00 0.38 N ATOM 498 CA VAL A 34 -2.314 8.128 4.064 1.00 0.32 C ATOM 499 C VAL A 34 -1.996 9.439 3.354 1.00 0.31 C ATOM 500 O VAL A 34 -2.913 10.152 2.953 1.00 0.51 O ATOM 501 CB VAL A 34 -2.691 7.017 3.074 1.00 0.39 C ATOM 502 CG1 VAL A 34 -1.458 6.590 2.264 1.00 0.37 C ATOM 503 CG2 VAL A 34 -3.248 5.790 3.809 1.00 0.61 C ATOM 0 H VAL A 34 -4.328 8.189 4.640 1.00 0.38 H new ATOM 0 HA VAL A 34 -1.424 7.785 4.591 1.00 0.32 H new ATOM 0 HB VAL A 34 -3.457 7.412 2.407 1.00 0.39 H new ATOM 0 HG11 VAL A 34 -1.737 5.802 1.565 1.00 0.37 H new ATOM 0 HG12 VAL A 34 -1.072 7.446 1.710 1.00 0.37 H new ATOM 0 HG13 VAL A 34 -0.689 6.219 2.941 1.00 0.37 H new ATOM 0 HG21 VAL A 34 -3.507 5.018 3.084 1.00 0.61 H new ATOM 0 HG22 VAL A 34 -2.495 5.404 4.496 1.00 0.61 H new ATOM 0 HG23 VAL A 34 -4.138 6.075 4.370 1.00 0.61 H new ATOM 513 N THR A 35 -0.707 9.752 3.182 1.00 0.29 N ATOM 514 CA THR A 35 -0.289 10.954 2.474 1.00 0.34 C ATOM 515 C THR A 35 0.335 10.597 1.130 1.00 0.40 C ATOM 516 O THR A 35 0.024 11.266 0.147 1.00 0.47 O ATOM 517 CB THR A 35 0.571 11.848 3.377 1.00 0.43 C ATOM 518 OG1 THR A 35 -0.260 12.803 4.004 1.00 0.86 O ATOM 519 CG2 THR A 35 1.705 12.572 2.652 1.00 0.78 C ATOM 0 H THR A 35 0.065 9.182 3.528 1.00 0.29 H new ATOM 0 HA THR A 35 -1.160 11.562 2.228 1.00 0.34 H new ATOM 0 HB THR A 35 1.046 11.185 4.100 1.00 0.43 H new ATOM 0 HG1 THR A 35 0.282 13.377 4.584 1.00 0.86 H new ATOM 0 HG21 THR A 35 2.262 13.181 3.364 1.00 0.78 H new ATOM 0 HG22 THR A 35 2.374 11.840 2.200 1.00 0.78 H new ATOM 0 HG23 THR A 35 1.289 13.212 1.874 1.00 0.78 H new ATOM 527 N ASP A 36 1.155 9.543 1.054 1.00 0.45 N ATOM 528 CA ASP A 36 1.671 9.046 -0.210 1.00 0.54 C ATOM 529 C ASP A 36 1.911 7.553 -0.074 1.00 0.44 C ATOM 530 O ASP A 36 1.915 7.015 1.030 1.00 0.29 O ATOM 531 CB ASP A 36 2.954 9.789 -0.618 1.00 0.64 C ATOM 532 CG ASP A 36 2.671 10.839 -1.683 1.00 0.80 C ATOM 533 OD1 ASP A 36 2.163 10.428 -2.752 1.00 1.87 O ATOM 534 OD2 ASP A 36 2.954 12.025 -1.421 1.00 1.63 O ATOM 0 H ASP A 36 1.474 9.018 1.868 1.00 0.45 H new ATOM 0 HA ASP A 36 0.944 9.226 -1.002 1.00 0.54 H new ATOM 0 HB2 ASP A 36 3.395 10.266 0.258 1.00 0.64 H new ATOM 0 HB3 ASP A 36 3.686 9.075 -0.994 1.00 0.64 H new ATOM 539 N ALA A 37 2.078 6.859 -1.195 1.00 0.56 N ATOM 540 CA ALA A 37 2.383 5.443 -1.184 1.00 0.52 C ATOM 541 C ALA A 37 3.044 5.060 -2.506 1.00 0.58 C ATOM 542 O ALA A 37 2.740 5.653 -3.545 1.00 0.74 O ATOM 543 CB ALA A 37 1.103 4.664 -0.870 1.00 0.79 C ATOM 0 H ALA A 37 2.005 7.264 -2.128 1.00 0.56 H new ATOM 0 HA ALA A 37 3.100 5.189 -0.403 1.00 0.52 H new ATOM 0 HB1 ALA A 37 1.320 3.596 -0.859 1.00 0.79 H new ATOM 0 HB2 ALA A 37 0.723 4.967 0.106 1.00 0.79 H new ATOM 0 HB3 ALA A 37 0.353 4.874 -1.633 1.00 0.79 H new ATOM 549 N ASN A 38 3.990 4.120 -2.476 1.00 0.46 N ATOM 550 CA ASN A 38 4.938 3.864 -3.552 1.00 0.48 C ATOM 551 C ASN A 38 5.192 2.365 -3.642 1.00 0.46 C ATOM 552 O ASN A 38 5.751 1.767 -2.723 1.00 0.50 O ATOM 553 CB ASN A 38 6.282 4.602 -3.364 1.00 0.50 C ATOM 554 CG ASN A 38 6.268 5.720 -2.329 1.00 0.44 C ATOM 555 OD1 ASN A 38 6.279 5.359 -1.050 1.00 0.80 O flip ATOM 556 ND2 ASN A 38 6.251 6.895 -2.677 1.00 0.35 N flip ATOM 0 H ASN A 38 4.118 3.499 -1.677 1.00 0.46 H new ATOM 0 HA ASN A 38 4.495 4.244 -4.472 1.00 0.48 H new ATOM 0 HB2 ASN A 38 7.041 3.874 -3.079 1.00 0.50 H new ATOM 0 HB3 ASN A 38 6.586 5.020 -4.324 1.00 0.50 H new ATOM 0 HD21 ASN A 38 6.243 7.133 -3.669 1.00 0.35 H new ATOM 0 HD22 ASN A 38 6.245 7.635 -1.975 1.00 0.35 H new ATOM 563 N VAL A 39 4.793 1.765 -4.763 1.00 0.43 N ATOM 564 CA VAL A 39 5.094 0.375 -5.033 1.00 0.39 C ATOM 565 C VAL A 39 6.490 0.288 -5.648 1.00 0.30 C ATOM 566 O VAL A 39 6.732 0.831 -6.723 1.00 0.45 O ATOM 567 CB VAL A 39 3.966 -0.233 -5.878 1.00 0.45 C ATOM 568 CG1 VAL A 39 3.995 0.184 -7.356 1.00 0.60 C ATOM 569 CG2 VAL A 39 4.003 -1.752 -5.746 1.00 0.55 C ATOM 0 H VAL A 39 4.258 2.230 -5.497 1.00 0.43 H new ATOM 0 HA VAL A 39 5.129 -0.226 -4.124 1.00 0.39 H new ATOM 0 HB VAL A 39 3.029 0.163 -5.486 1.00 0.45 H new ATOM 0 HG11 VAL A 39 3.166 -0.288 -7.884 1.00 0.60 H new ATOM 0 HG12 VAL A 39 3.903 1.268 -7.430 1.00 0.60 H new ATOM 0 HG13 VAL A 39 4.937 -0.131 -7.805 1.00 0.60 H new ATOM 0 HG21 VAL A 39 3.204 -2.189 -6.344 1.00 0.55 H new ATOM 0 HG22 VAL A 39 4.965 -2.124 -6.098 1.00 0.55 H new ATOM 0 HG23 VAL A 39 3.867 -2.030 -4.701 1.00 0.55 H new ATOM 579 N ASN A 40 7.425 -0.372 -4.963 1.00 0.41 N ATOM 580 CA ASN A 40 8.773 -0.591 -5.464 1.00 0.44 C ATOM 581 C ASN A 40 8.835 -2.028 -5.984 1.00 0.42 C ATOM 582 O ASN A 40 9.658 -2.850 -5.570 1.00 0.44 O ATOM 583 CB ASN A 40 9.780 -0.293 -4.347 1.00 0.48 C ATOM 584 CG ASN A 40 11.213 -0.272 -4.866 1.00 0.58 C ATOM 585 OD1 ASN A 40 11.464 -0.454 -6.053 1.00 0.74 O ATOM 586 ND2 ASN A 40 12.175 -0.038 -3.979 1.00 0.73 N ATOM 0 H ASN A 40 7.262 -0.771 -4.038 1.00 0.41 H new ATOM 0 HA ASN A 40 9.030 0.076 -6.287 1.00 0.44 H new ATOM 0 HB2 ASN A 40 9.544 0.669 -3.892 1.00 0.48 H new ATOM 0 HB3 ASN A 40 9.688 -1.046 -3.565 1.00 0.48 H new ATOM 0 HD21 ASN A 40 13.149 -0.006 -4.280 1.00 0.73 H new ATOM 0 HD22 ASN A 40 11.939 0.110 -2.998 1.00 0.73 H new ATOM 593 N LEU A 41 7.930 -2.318 -6.925 1.00 0.42 N ATOM 594 CA LEU A 41 7.767 -3.641 -7.515 1.00 0.45 C ATOM 595 C LEU A 41 8.998 -3.997 -8.351 1.00 0.53 C ATOM 596 O LEU A 41 9.302 -5.172 -8.528 1.00 0.56 O ATOM 597 CB LEU A 41 6.446 -3.715 -8.310 1.00 0.50 C ATOM 598 CG LEU A 41 5.544 -4.914 -7.957 1.00 0.62 C ATOM 599 CD1 LEU A 41 6.171 -6.240 -8.399 1.00 0.90 C ATOM 600 CD2 LEU A 41 5.127 -4.962 -6.477 1.00 1.04 C ATOM 0 H LEU A 41 7.282 -1.625 -7.301 1.00 0.42 H new ATOM 0 HA LEU A 41 7.694 -4.392 -6.728 1.00 0.45 H new ATOM 0 HB2 LEU A 41 5.886 -2.795 -8.142 1.00 0.50 H new ATOM 0 HB3 LEU A 41 6.681 -3.756 -9.374 1.00 0.50 H new ATOM 0 HG LEU A 41 4.624 -4.763 -8.522 1.00 0.62 H new ATOM 0 HD11 LEU A 41 5.507 -7.063 -8.134 1.00 0.90 H new ATOM 0 HD12 LEU A 41 6.322 -6.229 -9.478 1.00 0.90 H new ATOM 0 HD13 LEU A 41 7.131 -6.373 -7.900 1.00 0.90 H new ATOM 0 HD21 LEU A 41 4.494 -5.833 -6.305 1.00 1.04 H new ATOM 0 HD22 LEU A 41 6.016 -5.031 -5.850 1.00 1.04 H new ATOM 0 HD23 LEU A 41 4.575 -4.057 -6.225 1.00 1.04 H new ATOM 612 N ALA A 42 9.759 -2.984 -8.781 1.00 0.60 N ATOM 613 CA ALA A 42 11.094 -3.156 -9.337 1.00 0.68 C ATOM 614 C ALA A 42 11.954 -4.096 -8.491 1.00 0.63 C ATOM 615 O ALA A 42 12.765 -4.831 -9.048 1.00 0.70 O ATOM 616 CB ALA A 42 11.791 -1.802 -9.433 1.00 0.76 C ATOM 0 H ALA A 42 9.455 -2.011 -8.749 1.00 0.60 H new ATOM 0 HA ALA A 42 10.978 -3.599 -10.326 1.00 0.68 H new ATOM 0 HB1 ALA A 42 12.789 -1.935 -9.849 1.00 0.76 H new ATOM 0 HB2 ALA A 42 11.214 -1.141 -10.079 1.00 0.76 H new ATOM 0 HB3 ALA A 42 11.868 -1.361 -8.439 1.00 0.76 H new ATOM 622 N THR A 43 11.793 -4.065 -7.160 1.00 0.56 N ATOM 623 CA THR A 43 12.425 -5.033 -6.273 1.00 0.60 C ATOM 624 C THR A 43 11.373 -5.713 -5.388 1.00 0.64 C ATOM 625 O THR A 43 11.637 -5.993 -4.218 1.00 1.20 O ATOM 626 CB THR A 43 13.578 -4.383 -5.491 1.00 0.69 C ATOM 627 OG1 THR A 43 14.274 -5.359 -4.745 1.00 0.81 O ATOM 628 CG2 THR A 43 13.127 -3.277 -4.536 1.00 0.72 C ATOM 0 H THR A 43 11.223 -3.370 -6.678 1.00 0.56 H new ATOM 0 HA THR A 43 12.882 -5.828 -6.862 1.00 0.60 H new ATOM 0 HB THR A 43 14.222 -3.927 -6.243 1.00 0.69 H new ATOM 0 HG1 THR A 43 13.639 -5.867 -4.198 1.00 0.81 H new ATOM 0 HG21 THR A 43 13.995 -2.866 -4.020 1.00 0.72 H new ATOM 0 HG22 THR A 43 12.633 -2.487 -5.102 1.00 0.72 H new ATOM 0 HG23 THR A 43 12.431 -3.689 -3.805 1.00 0.72 H new ATOM 636 N GLU A 44 10.189 -5.978 -5.950 1.00 0.44 N ATOM 637 CA GLU A 44 9.108 -6.743 -5.337 1.00 0.41 C ATOM 638 C GLU A 44 8.760 -6.271 -3.918 1.00 0.44 C ATOM 639 O GLU A 44 8.381 -7.085 -3.080 1.00 0.65 O ATOM 640 CB GLU A 44 9.470 -8.235 -5.383 1.00 0.45 C ATOM 641 CG GLU A 44 9.504 -8.752 -6.830 1.00 0.87 C ATOM 642 CD GLU A 44 9.864 -10.231 -6.914 1.00 1.73 C ATOM 643 OE1 GLU A 44 10.033 -10.849 -5.842 1.00 2.62 O ATOM 644 OE2 GLU A 44 9.957 -10.718 -8.061 1.00 2.55 O ATOM 0 H GLU A 44 9.952 -5.649 -6.886 1.00 0.44 H new ATOM 0 HA GLU A 44 8.198 -6.573 -5.913 1.00 0.41 H new ATOM 0 HB2 GLU A 44 10.442 -8.391 -4.915 1.00 0.45 H new ATOM 0 HB3 GLU A 44 8.743 -8.807 -4.806 1.00 0.45 H new ATOM 0 HG2 GLU A 44 8.530 -8.592 -7.292 1.00 0.87 H new ATOM 0 HG3 GLU A 44 10.228 -8.172 -7.403 1.00 0.87 H new ATOM 651 N THR A 45 8.857 -4.964 -3.649 1.00 0.34 N ATOM 652 CA THR A 45 8.631 -4.375 -2.339 1.00 0.38 C ATOM 653 C THR A 45 7.582 -3.263 -2.476 1.00 0.30 C ATOM 654 O THR A 45 7.404 -2.716 -3.564 1.00 0.29 O ATOM 655 CB THR A 45 9.986 -3.841 -1.851 1.00 0.51 C ATOM 656 OG1 THR A 45 10.936 -4.885 -1.786 1.00 0.72 O ATOM 657 CG2 THR A 45 9.897 -3.233 -0.457 1.00 0.66 C ATOM 0 H THR A 45 9.102 -4.275 -4.360 1.00 0.34 H new ATOM 0 HA THR A 45 8.249 -5.094 -1.614 1.00 0.38 H new ATOM 0 HB THR A 45 10.285 -3.076 -2.567 1.00 0.51 H new ATOM 0 HG1 THR A 45 11.181 -5.162 -2.694 1.00 0.72 H new ATOM 0 HG21 THR A 45 10.879 -2.869 -0.155 1.00 0.66 H new ATOM 0 HG22 THR A 45 9.190 -2.403 -0.466 1.00 0.66 H new ATOM 0 HG23 THR A 45 9.558 -3.991 0.249 1.00 0.66 H new ATOM 665 N VAL A 46 6.889 -2.898 -1.395 1.00 0.34 N ATOM 666 CA VAL A 46 5.991 -1.750 -1.371 1.00 0.32 C ATOM 667 C VAL A 46 6.235 -0.927 -0.110 1.00 0.30 C ATOM 668 O VAL A 46 6.575 -1.489 0.935 1.00 0.33 O ATOM 669 CB VAL A 46 4.535 -2.211 -1.542 1.00 0.36 C ATOM 670 CG1 VAL A 46 4.026 -3.099 -0.405 1.00 0.27 C ATOM 671 CG2 VAL A 46 3.556 -1.045 -1.645 1.00 0.51 C ATOM 0 H VAL A 46 6.938 -3.397 -0.507 1.00 0.34 H new ATOM 0 HA VAL A 46 6.198 -1.090 -2.213 1.00 0.32 H new ATOM 0 HB VAL A 46 4.567 -2.781 -2.470 1.00 0.36 H new ATOM 0 HG11 VAL A 46 2.992 -3.382 -0.600 1.00 0.27 H new ATOM 0 HG12 VAL A 46 4.642 -3.996 -0.340 1.00 0.27 H new ATOM 0 HG13 VAL A 46 4.082 -2.552 0.536 1.00 0.27 H new ATOM 0 HG21 VAL A 46 2.543 -1.430 -1.764 1.00 0.51 H new ATOM 0 HG22 VAL A 46 3.611 -0.443 -0.738 1.00 0.51 H new ATOM 0 HG23 VAL A 46 3.814 -0.428 -2.506 1.00 0.51 H new ATOM 681 N ASN A 47 6.100 0.399 -0.234 1.00 0.29 N ATOM 682 CA ASN A 47 6.304 1.369 0.831 1.00 0.29 C ATOM 683 C ASN A 47 5.075 2.263 0.905 1.00 0.35 C ATOM 684 O ASN A 47 4.608 2.710 -0.142 1.00 0.41 O ATOM 685 CB ASN A 47 7.518 2.250 0.518 1.00 0.24 C ATOM 686 CG ASN A 47 8.844 1.522 0.674 1.00 0.26 C ATOM 687 OD1 ASN A 47 9.522 1.223 -0.305 1.00 0.34 O ATOM 688 ND2 ASN A 47 9.241 1.261 1.912 1.00 0.38 N ATOM 0 H ASN A 47 5.835 0.835 -1.117 1.00 0.29 H new ATOM 0 HA ASN A 47 6.469 0.844 1.772 1.00 0.29 H new ATOM 0 HB2 ASN A 47 7.434 2.623 -0.503 1.00 0.24 H new ATOM 0 HB3 ASN A 47 7.508 3.118 1.177 1.00 0.24 H new ATOM 0 HD21 ASN A 47 10.135 0.798 2.074 1.00 0.38 H new ATOM 0 HD22 ASN A 47 8.652 1.524 2.702 1.00 0.38 H new ATOM 695 N VAL A 48 4.563 2.563 2.102 1.00 0.37 N ATOM 696 CA VAL A 48 3.349 3.345 2.248 1.00 0.41 C ATOM 697 C VAL A 48 3.693 4.449 3.245 1.00 0.32 C ATOM 698 O VAL A 48 4.245 4.149 4.301 1.00 0.27 O ATOM 699 CB VAL A 48 2.197 2.440 2.714 1.00 0.52 C ATOM 700 CG1 VAL A 48 0.873 3.202 2.665 1.00 1.80 C ATOM 701 CG2 VAL A 48 2.052 1.160 1.875 1.00 2.23 C ATOM 0 H VAL A 48 4.980 2.270 2.986 1.00 0.37 H new ATOM 0 HA VAL A 48 3.007 3.787 1.312 1.00 0.41 H new ATOM 0 HB VAL A 48 2.442 2.145 3.734 1.00 0.52 H new ATOM 0 HG11 VAL A 48 0.065 2.550 2.997 1.00 1.80 H new ATOM 0 HG12 VAL A 48 0.929 4.072 3.319 1.00 1.80 H new ATOM 0 HG13 VAL A 48 0.679 3.528 1.643 1.00 1.80 H new ATOM 0 HG21 VAL A 48 1.221 0.567 2.257 1.00 2.23 H new ATOM 0 HG22 VAL A 48 1.860 1.426 0.836 1.00 2.23 H new ATOM 0 HG23 VAL A 48 2.972 0.578 1.937 1.00 2.23 H new ATOM 711 N ILE A 49 3.462 5.711 2.879 1.00 0.34 N ATOM 712 CA ILE A 49 3.845 6.874 3.661 1.00 0.33 C ATOM 713 C ILE A 49 2.580 7.455 4.295 1.00 0.31 C ATOM 714 O ILE A 49 1.768 8.105 3.621 1.00 0.44 O ATOM 715 CB ILE A 49 4.552 7.917 2.771 1.00 0.38 C ATOM 716 CG1 ILE A 49 5.631 7.303 1.866 1.00 0.51 C ATOM 717 CG2 ILE A 49 5.122 9.051 3.632 1.00 0.41 C ATOM 718 CD1 ILE A 49 6.691 6.498 2.621 1.00 0.48 C ATOM 0 H ILE A 49 2.991 5.952 2.007 1.00 0.34 H new ATOM 0 HA ILE A 49 4.550 6.589 4.442 1.00 0.33 H new ATOM 0 HB ILE A 49 3.799 8.328 2.099 1.00 0.38 H new ATOM 0 HG12 ILE A 49 5.151 6.655 1.133 1.00 0.51 H new ATOM 0 HG13 ILE A 49 6.123 8.102 1.311 1.00 0.51 H new ATOM 0 HG21 ILE A 49 5.618 9.780 2.991 1.00 0.41 H new ATOM 0 HG22 ILE A 49 4.312 9.537 4.176 1.00 0.41 H new ATOM 0 HG23 ILE A 49 5.841 8.643 4.342 1.00 0.41 H new ATOM 0 HD11 ILE A 49 7.416 6.097 1.913 1.00 0.48 H new ATOM 0 HD12 ILE A 49 7.200 7.146 3.335 1.00 0.48 H new ATOM 0 HD13 ILE A 49 6.213 5.676 3.154 1.00 0.48 H new ATOM 730 N TYR A 50 2.386 7.199 5.588 1.00 0.21 N ATOM 731 CA TYR A 50 1.135 7.531 6.244 1.00 0.21 C ATOM 732 C TYR A 50 1.368 8.044 7.647 1.00 0.21 C ATOM 733 O TYR A 50 2.487 7.983 8.161 1.00 0.25 O ATOM 734 CB TYR A 50 0.183 6.331 6.224 1.00 0.22 C ATOM 735 CG TYR A 50 0.606 5.061 6.948 1.00 0.25 C ATOM 736 CD1 TYR A 50 0.685 5.018 8.352 1.00 1.80 C ATOM 737 CD2 TYR A 50 0.679 3.857 6.227 1.00 2.02 C ATOM 738 CE1 TYR A 50 0.892 3.799 9.015 1.00 1.78 C ATOM 739 CE2 TYR A 50 0.717 2.622 6.898 1.00 2.07 C ATOM 740 CZ TYR A 50 0.815 2.595 8.297 1.00 0.43 C ATOM 741 OH TYR A 50 0.802 1.400 8.955 1.00 0.57 O ATOM 0 H TYR A 50 3.081 6.764 6.195 1.00 0.21 H new ATOM 0 HA TYR A 50 0.661 8.340 5.688 1.00 0.21 H new ATOM 0 HB2 TYR A 50 -0.768 6.654 6.648 1.00 0.22 H new ATOM 0 HB3 TYR A 50 -0.004 6.073 5.182 1.00 0.22 H new ATOM 0 HD1 TYR A 50 0.586 5.929 8.923 1.00 1.80 H new ATOM 0 HD2 TYR A 50 0.706 3.881 5.148 1.00 2.02 H new ATOM 0 HE1 TYR A 50 1.110 3.787 10.073 1.00 1.78 H new ATOM 0 HE2 TYR A 50 0.671 1.699 6.339 1.00 2.07 H new ATOM 0 HH TYR A 50 1.307 1.481 9.791 1.00 0.57 H new ATOM 751 N ASP A 51 0.300 8.566 8.239 1.00 0.24 N ATOM 752 CA ASP A 51 0.301 9.054 9.603 1.00 0.29 C ATOM 753 C ASP A 51 -0.068 7.912 10.553 1.00 0.29 C ATOM 754 O ASP A 51 -1.239 7.520 10.587 1.00 0.33 O ATOM 755 CB ASP A 51 -0.665 10.230 9.808 1.00 0.39 C ATOM 756 CG ASP A 51 -0.588 11.370 8.808 1.00 2.43 C ATOM 757 OD1 ASP A 51 0.458 11.497 8.145 1.00 3.81 O ATOM 758 OD2 ASP A 51 -1.580 12.128 8.763 1.00 3.26 O ATOM 0 H ASP A 51 -0.602 8.661 7.773 1.00 0.24 H new ATOM 0 HA ASP A 51 1.305 9.420 9.819 1.00 0.29 H new ATOM 0 HB2 ASP A 51 -1.682 9.838 9.797 1.00 0.39 H new ATOM 0 HB3 ASP A 51 -0.492 10.640 10.803 1.00 0.39 H new ATOM 763 N PRO A 52 0.864 7.386 11.370 1.00 0.34 N ATOM 764 CA PRO A 52 0.575 6.299 12.298 1.00 0.41 C ATOM 765 C PRO A 52 -0.304 6.736 13.484 1.00 0.52 C ATOM 766 O PRO A 52 -0.489 5.961 14.419 1.00 0.62 O ATOM 767 CB PRO A 52 1.942 5.784 12.756 1.00 0.53 C ATOM 768 CG PRO A 52 2.813 7.034 12.691 1.00 0.54 C ATOM 769 CD PRO A 52 2.270 7.749 11.456 1.00 0.40 C ATOM 0 HA PRO A 52 -0.010 5.519 11.811 1.00 0.41 H new ATOM 0 HB2 PRO A 52 1.902 5.371 13.764 1.00 0.53 H new ATOM 0 HB3 PRO A 52 2.317 4.996 12.103 1.00 0.53 H new ATOM 0 HG2 PRO A 52 2.716 7.644 13.589 1.00 0.54 H new ATOM 0 HG3 PRO A 52 3.870 6.788 12.586 1.00 0.54 H new ATOM 0 HD2 PRO A 52 2.390 8.829 11.546 1.00 0.40 H new ATOM 0 HD3 PRO A 52 2.808 7.442 10.559 1.00 0.40 H new ATOM 777 N ALA A 53 -0.842 7.963 13.465 1.00 0.58 N ATOM 778 CA ALA A 53 -1.864 8.415 14.388 1.00 0.73 C ATOM 779 C ALA A 53 -3.246 8.070 13.832 1.00 0.65 C ATOM 780 O ALA A 53 -4.198 7.972 14.603 1.00 0.84 O ATOM 781 CB ALA A 53 -1.734 9.931 14.556 1.00 0.88 C ATOM 0 H ALA A 53 -0.566 8.675 12.789 1.00 0.58 H new ATOM 0 HA ALA A 53 -1.741 7.924 15.353 1.00 0.73 H new ATOM 0 HB1 ALA A 53 -2.497 10.287 15.248 1.00 0.88 H new ATOM 0 HB2 ALA A 53 -0.746 10.170 14.950 1.00 0.88 H new ATOM 0 HB3 ALA A 53 -1.866 10.417 13.589 1.00 0.88 H new ATOM 787 N GLU A 54 -3.352 7.936 12.502 1.00 0.50 N ATOM 788 CA GLU A 54 -4.611 7.796 11.791 1.00 0.53 C ATOM 789 C GLU A 54 -4.677 6.418 11.124 1.00 0.47 C ATOM 790 O GLU A 54 -5.554 5.619 11.443 1.00 0.57 O ATOM 791 CB GLU A 54 -4.764 8.956 10.791 1.00 0.59 C ATOM 792 CG GLU A 54 -5.998 9.825 11.068 1.00 0.57 C ATOM 793 CD GLU A 54 -7.289 9.129 10.656 1.00 2.18 C ATOM 794 OE1 GLU A 54 -7.389 8.804 9.453 1.00 3.36 O ATOM 795 OE2 GLU A 54 -8.150 8.947 11.542 1.00 3.27 O ATOM 0 H GLU A 54 -2.540 7.923 11.885 1.00 0.50 H new ATOM 0 HA GLU A 54 -5.452 7.853 12.482 1.00 0.53 H new ATOM 0 HB2 GLU A 54 -3.871 9.580 10.827 1.00 0.59 H new ATOM 0 HB3 GLU A 54 -4.830 8.552 9.781 1.00 0.59 H new ATOM 0 HG2 GLU A 54 -6.040 10.068 12.130 1.00 0.57 H new ATOM 0 HG3 GLU A 54 -5.906 10.768 10.529 1.00 0.57 H new ATOM 802 N THR A 55 -3.722 6.117 10.231 1.00 0.40 N ATOM 803 CA THR A 55 -3.466 4.742 9.809 1.00 0.40 C ATOM 804 C THR A 55 -2.396 4.107 10.691 1.00 0.37 C ATOM 805 O THR A 55 -2.158 4.578 11.801 1.00 0.40 O ATOM 806 CB THR A 55 -3.331 4.596 8.284 1.00 0.43 C ATOM 807 OG1 THR A 55 -2.598 5.663 7.769 1.00 0.53 O ATOM 808 CG2 THR A 55 -4.724 4.637 7.670 1.00 0.41 C ATOM 0 H THR A 55 -3.118 6.811 9.791 1.00 0.40 H new ATOM 0 HA THR A 55 -4.347 4.125 9.987 1.00 0.40 H new ATOM 0 HB THR A 55 -2.827 3.657 8.053 1.00 0.43 H new ATOM 0 HG1 THR A 55 -1.649 5.540 7.979 1.00 0.53 H new ATOM 0 HG21 THR A 55 -4.648 4.535 6.587 1.00 0.41 H new ATOM 0 HG22 THR A 55 -5.322 3.819 8.070 1.00 0.41 H new ATOM 0 HG23 THR A 55 -5.200 5.587 7.912 1.00 0.41 H new ATOM 816 N GLY A 56 -1.845 2.965 10.277 1.00 0.55 N ATOM 817 CA GLY A 56 -1.505 1.919 11.213 1.00 0.48 C ATOM 818 C GLY A 56 -2.273 0.708 10.710 1.00 0.86 C ATOM 819 O GLY A 56 -3.387 0.480 11.160 1.00 2.16 O ATOM 0 H GLY A 56 -1.630 2.752 9.303 1.00 0.55 H new ATOM 0 HA2 GLY A 56 -0.431 1.732 11.229 1.00 0.48 H new ATOM 0 HA3 GLY A 56 -1.798 2.183 12.229 1.00 0.48 H new ATOM 823 N THR A 57 -1.633 -0.025 9.794 1.00 0.54 N ATOM 824 CA THR A 57 -1.961 -0.854 8.630 1.00 0.72 C ATOM 825 C THR A 57 -3.401 -1.293 8.405 1.00 0.47 C ATOM 826 O THR A 57 -3.754 -1.591 7.268 1.00 0.48 O ATOM 827 CB THR A 57 -1.104 -2.130 8.728 1.00 1.12 C ATOM 828 OG1 THR A 57 -1.414 -2.804 9.933 1.00 1.22 O ATOM 829 CG2 THR A 57 0.400 -1.840 8.716 1.00 1.36 C ATOM 0 H THR A 57 -0.617 -0.048 9.887 1.00 0.54 H new ATOM 0 HA THR A 57 -1.763 -0.196 7.784 1.00 0.72 H new ATOM 0 HB THR A 57 -1.336 -2.737 7.853 1.00 1.12 H new ATOM 0 HG1 THR A 57 -0.873 -3.618 10.001 1.00 1.22 H new ATOM 0 HG21 THR A 57 0.952 -2.777 8.788 1.00 1.36 H new ATOM 0 HG22 THR A 57 0.665 -1.333 7.789 1.00 1.36 H new ATOM 0 HG23 THR A 57 0.655 -1.203 9.563 1.00 1.36 H new ATOM 837 N ALA A 58 -4.237 -1.251 9.428 1.00 0.42 N ATOM 838 CA ALA A 58 -5.676 -1.355 9.382 1.00 0.43 C ATOM 839 C ALA A 58 -6.283 -0.901 8.058 1.00 0.41 C ATOM 840 O ALA A 58 -6.900 -1.700 7.353 1.00 0.40 O ATOM 841 CB ALA A 58 -6.194 -0.484 10.528 1.00 0.55 C ATOM 0 H ALA A 58 -3.896 -1.134 10.382 1.00 0.42 H new ATOM 0 HA ALA A 58 -5.966 -2.401 9.479 1.00 0.43 H new ATOM 0 HB1 ALA A 58 -7.283 -0.520 10.548 1.00 0.55 H new ATOM 0 HB2 ALA A 58 -5.801 -0.856 11.474 1.00 0.55 H new ATOM 0 HB3 ALA A 58 -5.867 0.545 10.379 1.00 0.55 H new ATOM 847 N ALA A 59 -6.105 0.376 7.710 1.00 0.42 N ATOM 848 CA ALA A 59 -6.885 0.897 6.581 1.00 0.40 C ATOM 849 C ALA A 59 -6.336 0.348 5.275 1.00 0.36 C ATOM 850 O ALA A 59 -7.080 -0.008 4.363 1.00 0.34 O ATOM 851 CB ALA A 59 -6.937 2.418 6.542 1.00 0.49 C ATOM 0 H ALA A 59 -5.469 1.035 8.160 1.00 0.42 H new ATOM 0 HA ALA A 59 -7.912 0.559 6.720 1.00 0.40 H new ATOM 0 HB1 ALA A 59 -7.528 2.740 5.685 1.00 0.49 H new ATOM 0 HB2 ALA A 59 -7.395 2.790 7.459 1.00 0.49 H new ATOM 0 HB3 ALA A 59 -5.925 2.815 6.455 1.00 0.49 H new ATOM 857 N ILE A 60 -5.007 0.307 5.210 1.00 0.42 N ATOM 858 CA ILE A 60 -4.262 -0.244 4.104 1.00 0.43 C ATOM 859 C ILE A 60 -4.753 -1.652 3.824 1.00 0.37 C ATOM 860 O ILE A 60 -5.117 -1.941 2.696 1.00 0.36 O ATOM 861 CB ILE A 60 -2.757 -0.171 4.426 1.00 0.48 C ATOM 862 CG1 ILE A 60 -2.229 1.196 3.988 1.00 0.47 C ATOM 863 CG2 ILE A 60 -1.906 -1.260 3.763 1.00 0.52 C ATOM 864 CD1 ILE A 60 -2.479 2.292 5.029 1.00 0.87 C ATOM 0 H ILE A 60 -4.410 0.670 5.953 1.00 0.42 H new ATOM 0 HA ILE A 60 -4.420 0.331 3.192 1.00 0.43 H new ATOM 0 HB ILE A 60 -2.669 -0.329 5.501 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -1.159 1.122 3.795 1.00 0.47 H new ATOM 0 HG13 ILE A 60 -2.703 1.479 3.048 1.00 0.47 H new ATOM 0 HG21 ILE A 60 -0.862 -1.129 4.047 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -2.251 -2.241 4.091 1.00 0.52 H new ATOM 0 HG23 ILE A 60 -2.000 -1.186 2.680 1.00 0.52 H new ATOM 0 HD11 ILE A 60 -2.083 3.239 4.663 1.00 0.87 H new ATOM 0 HD12 ILE A 60 -3.550 2.390 5.204 1.00 0.87 H new ATOM 0 HD13 ILE A 60 -1.982 2.028 5.962 1.00 0.87 H new ATOM 876 N GLN A 61 -4.772 -2.517 4.833 1.00 0.36 N ATOM 877 CA GLN A 61 -5.095 -3.921 4.656 1.00 0.31 C ATOM 878 C GLN A 61 -6.566 -4.076 4.244 1.00 0.30 C ATOM 879 O GLN A 61 -6.855 -4.772 3.269 1.00 0.34 O ATOM 880 CB GLN A 61 -4.682 -4.698 5.912 1.00 0.53 C ATOM 881 CG GLN A 61 -3.851 -5.953 5.602 1.00 0.51 C ATOM 882 CD GLN A 61 -2.944 -6.310 6.776 1.00 0.79 C ATOM 883 OE1 GLN A 61 -3.171 -7.283 7.485 1.00 1.43 O ATOM 884 NE2 GLN A 61 -1.901 -5.512 6.997 1.00 1.19 N ATOM 0 H GLN A 61 -4.563 -2.259 5.797 1.00 0.36 H new ATOM 0 HA GLN A 61 -4.527 -4.360 3.836 1.00 0.31 H new ATOM 0 HB2 GLN A 61 -4.107 -4.041 6.565 1.00 0.53 H new ATOM 0 HB3 GLN A 61 -5.577 -4.989 6.462 1.00 0.53 H new ATOM 0 HG2 GLN A 61 -4.515 -6.789 5.383 1.00 0.51 H new ATOM 0 HG3 GLN A 61 -3.248 -5.783 4.710 1.00 0.51 H new ATOM 0 HE21 GLN A 61 -1.736 -4.709 6.391 1.00 1.19 H new ATOM 0 HE22 GLN A 61 -1.267 -5.704 7.773 1.00 1.19 H new ATOM 893 N GLU A 62 -7.473 -3.360 4.926 1.00 0.32 N ATOM 894 CA GLU A 62 -8.874 -3.242 4.520 1.00 0.38 C ATOM 895 C GLU A 62 -8.982 -2.948 3.019 1.00 0.40 C ATOM 896 O GLU A 62 -9.617 -3.669 2.245 1.00 0.46 O ATOM 897 CB GLU A 62 -9.541 -2.116 5.335 1.00 0.37 C ATOM 898 CG GLU A 62 -10.285 -2.650 6.565 1.00 0.68 C ATOM 899 CD GLU A 62 -11.572 -3.380 6.190 1.00 1.73 C ATOM 900 OE1 GLU A 62 -12.248 -2.901 5.253 1.00 2.46 O ATOM 901 OE2 GLU A 62 -11.858 -4.400 6.851 1.00 2.68 O ATOM 0 H GLU A 62 -7.250 -2.846 5.778 1.00 0.32 H new ATOM 0 HA GLU A 62 -9.384 -4.186 4.714 1.00 0.38 H new ATOM 0 HB2 GLU A 62 -8.781 -1.403 5.654 1.00 0.37 H new ATOM 0 HB3 GLU A 62 -10.240 -1.574 4.698 1.00 0.37 H new ATOM 0 HG2 GLU A 62 -9.633 -3.327 7.116 1.00 0.68 H new ATOM 0 HG3 GLU A 62 -10.521 -1.821 7.233 1.00 0.68 H new ATOM 908 N LYS A 63 -8.350 -1.855 2.597 1.00 0.38 N ATOM 909 CA LYS A 63 -8.419 -1.401 1.237 1.00 0.44 C ATOM 910 C LYS A 63 -7.721 -2.345 0.276 1.00 0.44 C ATOM 911 O LYS A 63 -8.209 -2.526 -0.831 1.00 0.47 O ATOM 912 CB LYS A 63 -7.812 -0.012 1.175 1.00 0.45 C ATOM 913 CG LYS A 63 -8.863 1.029 1.551 1.00 0.52 C ATOM 914 CD LYS A 63 -9.887 1.314 0.438 1.00 0.66 C ATOM 915 CE LYS A 63 -9.193 1.808 -0.843 1.00 2.19 C ATOM 916 NZ LYS A 63 -9.953 2.873 -1.520 1.00 2.91 N ATOM 0 H LYS A 63 -7.777 -1.267 3.202 1.00 0.38 H new ATOM 0 HA LYS A 63 -9.463 -1.375 0.923 1.00 0.44 H new ATOM 0 HB2 LYS A 63 -6.962 0.054 1.854 1.00 0.45 H new ATOM 0 HB3 LYS A 63 -7.434 0.185 0.172 1.00 0.45 H new ATOM 0 HG2 LYS A 63 -9.394 0.690 2.441 1.00 0.52 H new ATOM 0 HG3 LYS A 63 -8.360 1.959 1.815 1.00 0.52 H new ATOM 0 HD2 LYS A 63 -10.454 0.409 0.222 1.00 0.66 H new ATOM 0 HD3 LYS A 63 -10.601 2.063 0.780 1.00 0.66 H new ATOM 0 HE2 LYS A 63 -8.198 2.178 -0.594 1.00 2.19 H new ATOM 0 HE3 LYS A 63 -9.060 0.970 -1.527 1.00 2.19 H new ATOM 0 HZ1 LYS A 63 -9.489 3.112 -2.419 1.00 2.91 H new ATOM 0 HZ2 LYS A 63 -10.921 2.543 -1.707 1.00 2.91 H new ATOM 0 HZ3 LYS A 63 -9.986 3.716 -0.912 1.00 2.91 H new ATOM 930 N ILE A 64 -6.581 -2.908 0.664 1.00 0.39 N ATOM 931 CA ILE A 64 -5.771 -3.788 -0.152 1.00 0.31 C ATOM 932 C ILE A 64 -6.692 -4.904 -0.685 1.00 0.32 C ATOM 933 O ILE A 64 -6.770 -5.141 -1.892 1.00 0.33 O ATOM 934 CB ILE A 64 -4.596 -4.287 0.706 1.00 0.28 C ATOM 935 CG1 ILE A 64 -3.355 -3.399 0.535 1.00 0.35 C ATOM 936 CG2 ILE A 64 -4.265 -5.762 0.507 1.00 0.33 C ATOM 937 CD1 ILE A 64 -2.617 -3.637 -0.781 1.00 0.46 C ATOM 0 H ILE A 64 -6.186 -2.754 1.592 1.00 0.39 H new ATOM 0 HA ILE A 64 -5.332 -3.296 -1.020 1.00 0.31 H new ATOM 0 HB ILE A 64 -4.934 -4.203 1.739 1.00 0.28 H new ATOM 0 HG12 ILE A 64 -3.655 -2.353 0.591 1.00 0.35 H new ATOM 0 HG13 ILE A 64 -2.671 -3.579 1.364 1.00 0.35 H new ATOM 0 HG21 ILE A 64 -3.426 -6.036 1.147 1.00 0.33 H new ATOM 0 HG22 ILE A 64 -5.133 -6.368 0.767 1.00 0.33 H new ATOM 0 HG23 ILE A 64 -3.999 -5.938 -0.535 1.00 0.33 H new ATOM 0 HD11 ILE A 64 -1.751 -2.977 -0.837 1.00 0.46 H new ATOM 0 HD12 ILE A 64 -2.287 -4.675 -0.830 1.00 0.46 H new ATOM 0 HD13 ILE A 64 -3.286 -3.429 -1.616 1.00 0.46 H new ATOM 949 N GLU A 65 -7.444 -5.528 0.233 1.00 0.34 N ATOM 950 CA GLU A 65 -8.464 -6.519 -0.085 1.00 0.37 C ATOM 951 C GLU A 65 -9.512 -5.927 -1.031 1.00 0.40 C ATOM 952 O GLU A 65 -9.719 -6.442 -2.127 1.00 0.41 O ATOM 953 CB GLU A 65 -9.122 -7.013 1.212 1.00 0.41 C ATOM 954 CG GLU A 65 -8.226 -7.991 1.981 1.00 0.46 C ATOM 955 CD GLU A 65 -8.332 -9.413 1.437 1.00 0.71 C ATOM 956 OE1 GLU A 65 -9.464 -9.942 1.469 1.00 1.58 O ATOM 957 OE2 GLU A 65 -7.287 -9.943 1.006 1.00 1.93 O ATOM 0 H GLU A 65 -7.353 -5.350 1.233 1.00 0.34 H new ATOM 0 HA GLU A 65 -7.996 -7.364 -0.589 1.00 0.37 H new ATOM 0 HB2 GLU A 65 -9.354 -6.159 1.848 1.00 0.41 H new ATOM 0 HB3 GLU A 65 -10.068 -7.500 0.975 1.00 0.41 H new ATOM 0 HG2 GLU A 65 -7.190 -7.657 1.922 1.00 0.46 H new ATOM 0 HG3 GLU A 65 -8.503 -7.985 3.035 1.00 0.46 H new ATOM 964 N LYS A 66 -10.177 -4.839 -0.624 1.00 0.44 N ATOM 965 CA LYS A 66 -11.226 -4.199 -1.423 1.00 0.47 C ATOM 966 C LYS A 66 -10.779 -3.861 -2.853 1.00 0.49 C ATOM 967 O LYS A 66 -11.574 -3.946 -3.786 1.00 0.56 O ATOM 968 CB LYS A 66 -11.731 -2.940 -0.699 1.00 0.49 C ATOM 969 CG LYS A 66 -13.000 -3.209 0.119 1.00 0.61 C ATOM 970 CD LYS A 66 -14.234 -3.140 -0.794 1.00 1.91 C ATOM 971 CE LYS A 66 -15.510 -3.466 -0.008 1.00 2.41 C ATOM 972 NZ LYS A 66 -16.726 -3.286 -0.830 1.00 3.90 N ATOM 0 H LYS A 66 -10.002 -4.378 0.269 1.00 0.44 H new ATOM 0 HA LYS A 66 -12.038 -4.920 -1.525 1.00 0.47 H new ATOM 0 HB2 LYS A 66 -10.949 -2.565 -0.039 1.00 0.49 H new ATOM 0 HB3 LYS A 66 -11.932 -2.158 -1.432 1.00 0.49 H new ATOM 0 HG2 LYS A 66 -12.939 -4.190 0.589 1.00 0.61 H new ATOM 0 HG3 LYS A 66 -13.089 -2.476 0.921 1.00 0.61 H new ATOM 0 HD2 LYS A 66 -14.314 -2.144 -1.230 1.00 1.91 H new ATOM 0 HD3 LYS A 66 -14.121 -3.842 -1.620 1.00 1.91 H new ATOM 0 HE2 LYS A 66 -15.463 -4.494 0.350 1.00 2.41 H new ATOM 0 HE3 LYS A 66 -15.568 -2.825 0.871 1.00 2.41 H new ATOM 0 HZ1 LYS A 66 -17.566 -3.516 -0.262 1.00 3.90 H new ATOM 0 HZ2 LYS A 66 -16.785 -2.298 -1.151 1.00 3.90 H new ATOM 0 HZ3 LYS A 66 -16.683 -3.916 -1.656 1.00 3.90 H new ATOM 986 N LEU A 67 -9.524 -3.446 -3.019 1.00 0.46 N ATOM 987 CA LEU A 67 -8.904 -3.114 -4.295 1.00 0.47 C ATOM 988 C LEU A 67 -8.664 -4.366 -5.147 1.00 0.48 C ATOM 989 O LEU A 67 -8.455 -4.249 -6.352 1.00 0.52 O ATOM 990 CB LEU A 67 -7.604 -2.334 -4.045 1.00 0.46 C ATOM 991 CG LEU A 67 -7.894 -0.926 -3.492 1.00 0.56 C ATOM 992 CD1 LEU A 67 -6.718 -0.380 -2.683 1.00 0.58 C ATOM 993 CD2 LEU A 67 -8.225 0.067 -4.612 1.00 0.68 C ATOM 0 H LEU A 67 -8.886 -3.328 -2.232 1.00 0.46 H new ATOM 0 HA LEU A 67 -9.585 -2.481 -4.864 1.00 0.47 H new ATOM 0 HB2 LEU A 67 -6.978 -2.882 -3.341 1.00 0.46 H new ATOM 0 HB3 LEU A 67 -7.041 -2.253 -4.975 1.00 0.46 H new ATOM 0 HG LEU A 67 -8.760 -1.032 -2.838 1.00 0.56 H new ATOM 0 HD11 LEU A 67 -6.963 0.615 -2.311 1.00 0.58 H new ATOM 0 HD12 LEU A 67 -6.516 -1.043 -1.841 1.00 0.58 H new ATOM 0 HD13 LEU A 67 -5.835 -0.322 -3.319 1.00 0.58 H new ATOM 0 HD21 LEU A 67 -8.423 1.048 -4.181 1.00 0.68 H new ATOM 0 HD22 LEU A 67 -7.381 0.136 -5.298 1.00 0.68 H new ATOM 0 HD23 LEU A 67 -9.106 -0.276 -5.154 1.00 0.68 H new ATOM 1005 N GLY A 68 -8.679 -5.551 -4.531 1.00 0.46 N ATOM 1006 CA GLY A 68 -8.490 -6.828 -5.194 1.00 0.45 C ATOM 1007 C GLY A 68 -7.013 -7.206 -5.213 1.00 0.41 C ATOM 1008 O GLY A 68 -6.515 -7.684 -6.229 1.00 0.43 O ATOM 0 H GLY A 68 -8.828 -5.643 -3.526 1.00 0.46 H new ATOM 0 HA2 GLY A 68 -9.062 -7.600 -4.680 1.00 0.45 H new ATOM 0 HA3 GLY A 68 -8.871 -6.775 -6.214 1.00 0.45 H new ATOM 1012 N TYR A 69 -6.313 -6.981 -4.097 1.00 0.40 N ATOM 1013 CA TYR A 69 -4.883 -7.211 -3.970 1.00 0.40 C ATOM 1014 C TYR A 69 -4.596 -7.856 -2.620 1.00 0.36 C ATOM 1015 O TYR A 69 -5.500 -7.981 -1.798 1.00 0.37 O ATOM 1016 CB TYR A 69 -4.186 -5.857 -4.069 1.00 0.46 C ATOM 1017 CG TYR A 69 -3.285 -5.752 -5.272 1.00 0.51 C ATOM 1018 CD1 TYR A 69 -3.840 -5.503 -6.538 1.00 1.99 C ATOM 1019 CD2 TYR A 69 -1.904 -5.960 -5.134 1.00 1.55 C ATOM 1020 CE1 TYR A 69 -3.010 -5.474 -7.668 1.00 1.98 C ATOM 1021 CE2 TYR A 69 -1.067 -5.818 -6.248 1.00 1.58 C ATOM 1022 CZ TYR A 69 -1.626 -5.663 -7.528 1.00 0.57 C ATOM 1023 OH TYR A 69 -0.829 -5.682 -8.633 1.00 0.60 O ATOM 0 H TYR A 69 -6.740 -6.626 -3.242 1.00 0.40 H new ATOM 0 HA TYR A 69 -4.521 -7.876 -4.754 1.00 0.40 H new ATOM 0 HB2 TYR A 69 -4.938 -5.069 -4.113 1.00 0.46 H new ATOM 0 HB3 TYR A 69 -3.600 -5.688 -3.166 1.00 0.46 H new ATOM 0 HD1 TYR A 69 -4.902 -5.335 -6.641 1.00 1.99 H new ATOM 0 HD2 TYR A 69 -1.489 -6.228 -4.174 1.00 1.55 H new ATOM 0 HE1 TYR A 69 -3.436 -5.306 -8.646 1.00 1.98 H new ATOM 0 HE2 TYR A 69 0.006 -5.828 -6.124 1.00 1.58 H new ATOM 0 HH TYR A 69 -1.203 -6.300 -9.295 1.00 0.60 H new ATOM 1033 N HIS A 70 -3.335 -8.225 -2.370 1.00 0.38 N ATOM 1034 CA HIS A 70 -2.908 -8.674 -1.056 1.00 0.38 C ATOM 1035 C HIS A 70 -1.510 -8.115 -0.778 1.00 0.44 C ATOM 1036 O HIS A 70 -0.785 -7.743 -1.701 1.00 0.97 O ATOM 1037 CB HIS A 70 -3.003 -10.206 -0.998 1.00 0.47 C ATOM 1038 CG HIS A 70 -3.011 -10.832 0.378 1.00 0.62 C ATOM 1039 ND1 HIS A 70 -2.862 -12.179 0.626 1.00 2.03 N ATOM 1040 CD2 HIS A 70 -3.355 -10.239 1.568 1.00 1.71 C ATOM 1041 CE1 HIS A 70 -3.071 -12.380 1.937 1.00 1.65 C ATOM 1042 NE2 HIS A 70 -3.361 -11.227 2.555 1.00 1.24 N ATOM 0 H HIS A 70 -2.594 -8.218 -3.071 1.00 0.38 H new ATOM 0 HA HIS A 70 -3.554 -8.299 -0.262 1.00 0.38 H new ATOM 0 HB2 HIS A 70 -3.912 -10.511 -1.516 1.00 0.47 H new ATOM 0 HB3 HIS A 70 -2.164 -10.621 -1.556 1.00 0.47 H new ATOM 0 HD2 HIS A 70 -3.581 -9.193 1.715 1.00 1.71 H new ATOM 0 HE1 HIS A 70 -3.013 -13.341 2.427 1.00 1.65 H new ATOM 0 HE2 HIS A 70 -3.549 -11.097 3.549 1.00 1.24 H new ATOM 1050 N VAL A 71 -1.133 -8.015 0.495 1.00 0.34 N ATOM 1051 CA VAL A 71 0.142 -7.468 0.923 1.00 0.35 C ATOM 1052 C VAL A 71 0.676 -8.405 2.002 1.00 0.39 C ATOM 1053 O VAL A 71 -0.116 -8.941 2.775 1.00 0.53 O ATOM 1054 CB VAL A 71 -0.058 -6.013 1.387 1.00 0.54 C ATOM 1055 CG1 VAL A 71 -0.814 -5.896 2.718 1.00 1.43 C ATOM 1056 CG2 VAL A 71 1.279 -5.285 1.503 1.00 1.23 C ATOM 0 H VAL A 71 -1.722 -8.320 1.270 1.00 0.34 H new ATOM 0 HA VAL A 71 0.880 -7.416 0.122 1.00 0.35 H new ATOM 0 HB VAL A 71 -0.672 -5.544 0.619 1.00 0.54 H new ATOM 0 HG11 VAL A 71 -0.920 -4.845 2.985 1.00 1.43 H new ATOM 0 HG12 VAL A 71 -1.802 -6.345 2.616 1.00 1.43 H new ATOM 0 HG13 VAL A 71 -0.258 -6.415 3.499 1.00 1.43 H new ATOM 0 HG21 VAL A 71 1.108 -4.260 1.832 1.00 1.23 H new ATOM 0 HG22 VAL A 71 1.911 -5.798 2.228 1.00 1.23 H new ATOM 0 HG23 VAL A 71 1.774 -5.276 0.532 1.00 1.23 H new ATOM 1066 N VAL A 72 1.987 -8.653 2.013 1.00 0.37 N ATOM 1067 CA VAL A 72 2.622 -9.600 2.913 1.00 0.41 C ATOM 1068 C VAL A 72 3.566 -8.835 3.838 1.00 0.43 C ATOM 1069 O VAL A 72 4.357 -7.995 3.406 1.00 0.40 O ATOM 1070 CB VAL A 72 3.334 -10.724 2.155 1.00 0.42 C ATOM 1071 CG1 VAL A 72 3.619 -11.901 3.096 1.00 0.49 C ATOM 1072 CG2 VAL A 72 2.530 -11.234 0.955 1.00 0.58 C ATOM 0 H VAL A 72 2.643 -8.190 1.384 1.00 0.37 H new ATOM 0 HA VAL A 72 1.859 -10.095 3.514 1.00 0.41 H new ATOM 0 HB VAL A 72 4.265 -10.300 1.778 1.00 0.42 H new ATOM 0 HG11 VAL A 72 4.125 -12.693 2.545 1.00 0.49 H new ATOM 0 HG12 VAL A 72 4.255 -11.566 3.916 1.00 0.49 H new ATOM 0 HG13 VAL A 72 2.680 -12.282 3.497 1.00 0.49 H new ATOM 0 HG21 VAL A 72 3.085 -12.029 0.457 1.00 0.58 H new ATOM 0 HG22 VAL A 72 1.570 -11.620 1.298 1.00 0.58 H new ATOM 0 HG23 VAL A 72 2.362 -10.415 0.255 1.00 0.58 H new ATOM 1082 N ILE A 73 3.435 -9.105 5.131 1.00 0.58 N ATOM 1083 CA ILE A 73 4.079 -8.349 6.190 1.00 0.74 C ATOM 1084 C ILE A 73 5.298 -9.133 6.671 1.00 0.84 C ATOM 1085 O ILE A 73 5.307 -9.705 7.756 1.00 0.92 O ATOM 1086 CB ILE A 73 3.065 -8.005 7.295 1.00 0.82 C ATOM 1087 CG1 ILE A 73 1.820 -7.292 6.728 1.00 0.94 C ATOM 1088 CG2 ILE A 73 3.721 -7.131 8.375 1.00 0.98 C ATOM 1089 CD1 ILE A 73 2.101 -5.991 5.964 1.00 1.25 C ATOM 0 H ILE A 73 2.863 -9.875 5.477 1.00 0.58 H new ATOM 0 HA ILE A 73 4.441 -7.386 5.829 1.00 0.74 H new ATOM 0 HB ILE A 73 2.740 -8.945 7.741 1.00 0.82 H new ATOM 0 HG12 ILE A 73 1.299 -7.980 6.062 1.00 0.94 H new ATOM 0 HG13 ILE A 73 1.141 -7.071 7.552 1.00 0.94 H new ATOM 0 HG21 ILE A 73 2.989 -6.898 9.148 1.00 0.98 H new ATOM 0 HG22 ILE A 73 4.559 -7.669 8.819 1.00 0.98 H new ATOM 0 HG23 ILE A 73 4.081 -6.206 7.925 1.00 0.98 H new ATOM 0 HD11 ILE A 73 1.162 -5.569 5.607 1.00 1.25 H new ATOM 0 HD12 ILE A 73 2.590 -5.278 6.627 1.00 1.25 H new ATOM 0 HD13 ILE A 73 2.751 -6.201 5.114 1.00 1.25 H new ATOM 1101 N GLU A 74 6.353 -9.119 5.853 1.00 0.92 N ATOM 1102 CA GLU A 74 7.599 -9.826 6.111 1.00 1.02 C ATOM 1103 C GLU A 74 8.460 -9.214 7.224 1.00 1.15 C ATOM 1104 O GLU A 74 9.550 -9.701 7.515 1.00 1.29 O ATOM 1105 CB GLU A 74 8.386 -10.018 4.815 1.00 1.13 C ATOM 1106 CG GLU A 74 8.468 -11.490 4.388 1.00 1.15 C ATOM 1107 CD GLU A 74 7.113 -12.016 3.938 1.00 2.18 C ATOM 1108 OE1 GLU A 74 6.662 -11.552 2.871 1.00 3.38 O ATOM 1109 OE2 GLU A 74 6.548 -12.850 4.678 1.00 3.45 O ATOM 0 H GLU A 74 6.360 -8.602 4.974 1.00 0.92 H new ATOM 0 HA GLU A 74 7.315 -10.805 6.498 1.00 1.02 H new ATOM 0 HB2 GLU A 74 7.917 -9.438 4.020 1.00 1.13 H new ATOM 0 HB3 GLU A 74 9.394 -9.624 4.944 1.00 1.13 H new ATOM 0 HG2 GLU A 74 9.188 -11.595 3.576 1.00 1.15 H new ATOM 0 HG3 GLU A 74 8.835 -12.091 5.220 1.00 1.15 H new ATOM 1116 N GLY A 75 7.979 -8.133 7.832 1.00 1.20 N ATOM 1117 CA GLY A 75 8.670 -7.417 8.891 1.00 1.43 C ATOM 1118 C GLY A 75 9.916 -6.733 8.338 1.00 2.31 C ATOM 1119 O GLY A 75 11.037 -7.200 8.546 1.00 2.83 O ATOM 0 H GLY A 75 7.076 -7.724 7.593 1.00 1.20 H new ATOM 0 HA2 GLY A 75 8.005 -6.675 9.333 1.00 1.43 H new ATOM 0 HA3 GLY A 75 8.948 -8.109 9.686 1.00 1.43 H new ATOM 1123 N ARG A 76 9.727 -5.621 7.630 1.00 3.68 N ATOM 1124 CA ARG A 76 10.779 -4.756 7.135 1.00 5.58 C ATOM 1125 C ARG A 76 10.346 -3.323 7.458 1.00 6.68 C ATOM 1126 O ARG A 76 11.164 -2.414 7.207 1.00 8.07 O ATOM 1127 CB ARG A 76 10.982 -4.971 5.622 1.00 6.89 C ATOM 1128 CG ARG A 76 12.402 -5.445 5.289 1.00 8.58 C ATOM 1129 CD ARG A 76 12.578 -6.955 5.506 1.00 9.10 C ATOM 1130 NE ARG A 76 13.968 -7.283 5.866 1.00 10.26 N ATOM 1131 CZ ARG A 76 14.468 -7.352 7.113 1.00 10.43 C ATOM 1132 NH1 ARG A 76 13.679 -7.229 8.187 1.00 9.59 N ATOM 1133 NH2 ARG A 76 15.781 -7.543 7.287 1.00 11.74 N ATOM 1134 OXT ARG A 76 9.210 -3.176 7.967 1.00 6.68 O ATOM 0 H ARG A 76 8.795 -5.291 7.379 1.00 3.68 H new ATOM 0 HA ARG A 76 11.738 -4.974 7.604 1.00 5.58 H new ATOM 0 HB2 ARG A 76 10.262 -5.705 5.261 1.00 6.89 H new ATOM 0 HB3 ARG A 76 10.779 -4.039 5.094 1.00 6.89 H new ATOM 0 HG2 ARG A 76 12.631 -5.200 4.252 1.00 8.58 H new ATOM 0 HG3 ARG A 76 13.118 -4.905 5.909 1.00 8.58 H new ATOM 0 HD2 ARG A 76 11.906 -7.292 6.295 1.00 9.10 H new ATOM 0 HD3 ARG A 76 12.299 -7.490 4.599 1.00 9.10 H new ATOM 0 HE ARG A 76 14.611 -7.476 5.098 1.00 10.26 H new ATOM 0 HH11 ARG A 76 12.677 -7.080 8.069 1.00 9.59 H new ATOM 0 HH12 ARG A 76 14.080 -7.285 9.123 1.00 9.59 H new ATOM 0 HH21 ARG A 76 16.395 -7.635 6.477 1.00 11.74 H new ATOM 0 HH22 ARG A 76 16.168 -7.596 8.229 1.00 11.74 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -1.495 -5.638 -13.909 1.00 1.44 CU