USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 103 THR OG1 : rot -160:sc= -0.533 USER MOD Set 2.2: A 121 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 1.03 (180deg=-0.0762) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -142:sc= 1.24 (180deg=1) USER MOD Single : A 40 HIS : no HD1:sc= 0.0479 K(o=0.048,f=-3.9!) USER MOD Single : A 41 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot 25:sc= 0.22 USER MOD Single : A 73 SER OG : rot -132:sc= -2.14! USER MOD Single : A 78 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.3) USER MOD Single : A 79 TYR OH : rot 100:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.923 K(o=0.92,f=-4.5!) USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.16) USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.16) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= -0.0685 (180deg=-0.37) USER MOD Single : A 100 ASN : amide:sc= 0.175 K(o=0.17,f=-6.2!) USER MOD Single : A 112 MET CE :methyl 145:sc= -2.91 (180deg=-7.95!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 167:sc= -0.0457 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.0922 X(o=0.092,f=-0.36) USER MOD Single : A 127 LYS NZ :NH3+ -117:sc= 1.21 (180deg=0.156) USER MOD Single : A 133 SER OG : rot 74:sc= 0.175 USER MOD Single : A 138 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 141 TYR OH : rot 150:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -112:sc= 0.0775 (180deg=-1.02) USER MOD Single : A 145 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 150 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.0093) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 CYS SG : rot 1:sc= -1.63! USER MOD Single : A 162 SER OG : rot 95:sc= 1.26 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 HIS : no HE2:sc= 0.752 K(o=0.75,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -6.033 -23.497 4.179 1.00 74.23 N ATOM 63 CA LEU A 22 -6.274 -22.455 3.161 1.00 3.31 C ATOM 64 C LEU A 22 -5.655 -21.105 3.525 1.00 64.44 C ATOM 65 O LEU A 22 -5.658 -20.161 2.718 1.00 71.41 O ATOM 66 CB LEU A 22 -7.744 -22.342 2.834 1.00 41.43 C ATOM 67 CG LEU A 22 -8.330 -23.582 2.180 1.00 20.13 C ATOM 68 CD1 LEU A 22 -9.809 -23.488 2.150 1.00 25.12 C ATOM 69 CD2 LEU A 22 -7.784 -23.757 0.763 1.00 65.11 C ATOM 0 HA LEU A 22 -5.758 -22.776 2.256 1.00 3.31 H new ATOM 0 HB2 LEU A 22 -8.295 -22.133 3.751 1.00 41.43 H new ATOM 0 HB3 LEU A 22 -7.894 -21.489 2.171 1.00 41.43 H new ATOM 0 HG LEU A 22 -8.040 -24.453 2.768 1.00 20.13 H new ATOM 0 HD11 LEU A 22 -10.221 -24.381 1.680 1.00 25.12 H new ATOM 0 HD12 LEU A 22 -10.189 -23.406 3.168 1.00 25.12 H new ATOM 0 HD13 LEU A 22 -10.106 -22.608 1.580 1.00 25.12 H new ATOM 0 HD21 LEU A 22 -8.217 -24.651 0.314 1.00 65.11 H new ATOM 0 HD22 LEU A 22 -8.046 -22.886 0.162 1.00 65.11 H new ATOM 0 HD23 LEU A 22 -6.699 -23.859 0.801 1.00 65.11 H new ATOM 81 N VAL A 23 -5.090 -21.025 4.706 1.00 43.12 N ATOM 82 CA VAL A 23 -4.438 -19.836 5.149 1.00 10.52 C ATOM 83 C VAL A 23 -3.127 -19.728 4.441 1.00 45.10 C ATOM 84 O VAL A 23 -2.358 -20.704 4.358 1.00 22.04 O ATOM 85 CB VAL A 23 -4.215 -19.826 6.682 1.00 64.04 C ATOM 86 CG1 VAL A 23 -3.500 -18.556 7.125 1.00 61.31 C ATOM 87 CG2 VAL A 23 -5.537 -19.944 7.391 1.00 73.12 C ATOM 0 H VAL A 23 -5.074 -21.789 5.381 1.00 43.12 H new ATOM 0 HA VAL A 23 -5.076 -18.983 4.917 1.00 10.52 H new ATOM 0 HB VAL A 23 -3.586 -20.678 6.941 1.00 64.04 H new ATOM 0 HG11 VAL A 23 -3.357 -18.577 8.205 1.00 61.31 H new ATOM 0 HG12 VAL A 23 -2.530 -18.494 6.632 1.00 61.31 H new ATOM 0 HG13 VAL A 23 -4.101 -17.687 6.855 1.00 61.31 H new ATOM 0 HG21 VAL A 23 -5.374 -19.936 8.469 1.00 73.12 H new ATOM 0 HG22 VAL A 23 -6.174 -19.104 7.115 1.00 73.12 H new ATOM 0 HG23 VAL A 23 -6.022 -20.877 7.104 1.00 73.12 H new ATOM 97 N GLY A 24 -2.883 -18.593 3.904 1.00 32.42 N ATOM 98 CA GLY A 24 -1.697 -18.390 3.184 1.00 65.33 C ATOM 99 C GLY A 24 -1.119 -17.069 3.475 1.00 74.12 C ATOM 100 O GLY A 24 -1.835 -16.129 3.790 1.00 35.24 O ATOM 0 H GLY A 24 -3.501 -17.783 3.954 1.00 32.42 H new ATOM 0 HA2 GLY A 24 -0.977 -19.169 3.436 1.00 65.33 H new ATOM 0 HA3 GLY A 24 -1.897 -18.475 2.116 1.00 65.33 H new ATOM 104 N LYS A 25 0.146 -16.985 3.382 1.00 14.11 N ATOM 105 CA LYS A 25 0.829 -15.779 3.596 1.00 51.05 C ATOM 106 C LYS A 25 2.034 -15.735 2.716 1.00 2.50 C ATOM 107 O LYS A 25 2.639 -16.774 2.422 1.00 53.31 O ATOM 108 CB LYS A 25 1.110 -15.508 5.111 1.00 13.01 C ATOM 109 CG LYS A 25 1.881 -16.568 5.888 1.00 72.22 C ATOM 110 CD LYS A 25 3.381 -16.596 5.577 1.00 13.21 C ATOM 111 CE LYS A 25 4.081 -15.296 5.990 1.00 21.23 C ATOM 112 NZ LYS A 25 5.546 -15.359 5.788 1.00 70.34 N ATOM 0 H LYS A 25 0.751 -17.773 3.149 1.00 14.11 H new ATOM 0 HA LYS A 25 0.193 -14.942 3.308 1.00 51.05 H new ATOM 0 HB2 LYS A 25 1.659 -14.570 5.188 1.00 13.01 H new ATOM 0 HB3 LYS A 25 0.152 -15.358 5.608 1.00 13.01 H new ATOM 0 HG2 LYS A 25 1.744 -16.394 6.955 1.00 72.22 H new ATOM 0 HG3 LYS A 25 1.456 -17.547 5.668 1.00 72.22 H new ATOM 0 HD2 LYS A 25 3.843 -17.436 6.096 1.00 13.21 H new ATOM 0 HD3 LYS A 25 3.526 -16.762 4.510 1.00 13.21 H new ATOM 0 HE2 LYS A 25 3.672 -14.467 5.413 1.00 21.23 H new ATOM 0 HE3 LYS A 25 3.870 -15.089 7.039 1.00 21.23 H new ATOM 0 HZ1 LYS A 25 5.976 -14.458 6.081 1.00 70.34 H new ATOM 0 HZ2 LYS A 25 5.942 -16.133 6.358 1.00 70.34 H new ATOM 0 HZ3 LYS A 25 5.751 -15.530 4.783 1.00 70.34 H new ATOM 126 N LEU A 26 2.350 -14.587 2.262 1.00 52.31 N ATOM 127 CA LEU A 26 3.416 -14.405 1.343 1.00 31.50 C ATOM 128 C LEU A 26 4.255 -13.272 1.828 1.00 65.30 C ATOM 129 O LEU A 26 3.733 -12.290 2.340 1.00 23.31 O ATOM 130 CB LEU A 26 2.832 -14.165 -0.081 1.00 45.11 C ATOM 131 CG LEU A 26 3.810 -13.983 -1.272 1.00 72.40 C ATOM 132 CD1 LEU A 26 3.049 -14.117 -2.569 1.00 35.12 C ATOM 133 CD2 LEU A 26 4.473 -12.611 -1.249 1.00 45.42 C ATOM 0 H LEU A 26 1.869 -13.725 2.520 1.00 52.31 H new ATOM 0 HA LEU A 26 4.050 -15.289 1.277 1.00 31.50 H new ATOM 0 HB2 LEU A 26 2.180 -15.006 -0.316 1.00 45.11 H new ATOM 0 HB3 LEU A 26 2.202 -13.277 -0.033 1.00 45.11 H new ATOM 0 HG LEU A 26 4.581 -14.749 -1.188 1.00 72.40 H new ATOM 0 HD11 LEU A 26 3.734 -13.990 -3.407 1.00 35.12 H new ATOM 0 HD12 LEU A 26 2.591 -15.105 -2.622 1.00 35.12 H new ATOM 0 HD13 LEU A 26 2.272 -13.354 -2.616 1.00 35.12 H new ATOM 0 HD21 LEU A 26 5.151 -12.520 -2.098 1.00 45.42 H new ATOM 0 HD22 LEU A 26 3.709 -11.836 -1.310 1.00 45.42 H new ATOM 0 HD23 LEU A 26 5.035 -12.494 -0.322 1.00 45.42 H new ATOM 145 N GLU A 27 5.527 -13.415 1.724 1.00 30.44 N ATOM 146 CA GLU A 27 6.409 -12.388 2.151 1.00 42.43 C ATOM 147 C GLU A 27 7.450 -12.162 1.081 1.00 44.44 C ATOM 148 O GLU A 27 8.082 -13.112 0.612 1.00 72.33 O ATOM 149 CB GLU A 27 7.028 -12.751 3.497 1.00 13.31 C ATOM 150 CG GLU A 27 7.812 -11.633 4.135 1.00 35.10 C ATOM 151 CD GLU A 27 8.240 -11.971 5.527 1.00 12.14 C ATOM 152 OE1 GLU A 27 7.359 -12.071 6.414 1.00 64.54 O ATOM 153 OE2 GLU A 27 9.445 -12.100 5.780 1.00 73.30 O ATOM 0 H GLU A 27 5.985 -14.243 1.343 1.00 30.44 H new ATOM 0 HA GLU A 27 5.864 -11.455 2.297 1.00 42.43 H new ATOM 0 HB2 GLU A 27 6.235 -13.059 4.178 1.00 13.31 H new ATOM 0 HB3 GLU A 27 7.685 -13.611 3.363 1.00 13.31 H new ATOM 0 HG2 GLU A 27 8.691 -11.415 3.529 1.00 35.10 H new ATOM 0 HG3 GLU A 27 7.204 -10.728 4.152 1.00 35.10 H new ATOM 160 N THR A 28 7.605 -10.941 0.674 1.00 43.43 N ATOM 161 CA THR A 28 8.541 -10.614 -0.357 1.00 33.45 C ATOM 162 C THR A 28 9.218 -9.296 -0.005 1.00 31.44 C ATOM 163 O THR A 28 8.720 -8.533 0.849 1.00 44.31 O ATOM 164 CB THR A 28 7.845 -10.537 -1.771 1.00 65.22 C ATOM 165 OG1 THR A 28 8.823 -10.371 -2.810 1.00 63.02 O ATOM 166 CG2 THR A 28 6.848 -9.382 -1.835 1.00 11.41 C ATOM 0 H THR A 28 7.088 -10.144 1.046 1.00 43.43 H new ATOM 0 HA THR A 28 9.290 -11.403 -0.421 1.00 33.45 H new ATOM 0 HB THR A 28 7.310 -11.475 -1.920 1.00 65.22 H new ATOM 0 HG1 THR A 28 8.373 -10.327 -3.679 1.00 63.02 H new ATOM 0 HG21 THR A 28 6.385 -9.355 -2.821 1.00 11.41 H new ATOM 0 HG22 THR A 28 6.078 -9.524 -1.077 1.00 11.41 H new ATOM 0 HG23 THR A 28 7.368 -8.442 -1.653 1.00 11.41 H new ATOM 174 N ASP A 29 10.331 -9.033 -0.621 1.00 73.22 N ATOM 175 CA ASP A 29 11.057 -7.826 -0.377 1.00 31.43 C ATOM 176 C ASP A 29 11.332 -7.144 -1.672 1.00 32.35 C ATOM 177 O ASP A 29 11.734 -7.777 -2.645 1.00 51.42 O ATOM 178 CB ASP A 29 12.379 -8.080 0.397 1.00 12.24 C ATOM 179 CG ASP A 29 13.396 -8.950 -0.344 1.00 22.33 C ATOM 180 OD1 ASP A 29 13.346 -10.198 -0.208 1.00 55.53 O ATOM 181 OD2 ASP A 29 14.285 -8.397 -1.045 1.00 42.11 O ATOM 0 H ASP A 29 10.761 -9.652 -1.308 1.00 73.22 H new ATOM 0 HA ASP A 29 10.442 -7.185 0.254 1.00 31.43 H new ATOM 0 HB2 ASP A 29 12.841 -7.119 0.625 1.00 12.24 H new ATOM 0 HB3 ASP A 29 12.141 -8.554 1.349 1.00 12.24 H new ATOM 186 N VAL A 30 11.072 -5.881 -1.711 1.00 23.24 N ATOM 187 CA VAL A 30 11.344 -5.096 -2.877 1.00 44.41 C ATOM 188 C VAL A 30 12.312 -4.004 -2.492 1.00 74.13 C ATOM 189 O VAL A 30 12.196 -3.423 -1.413 1.00 50.02 O ATOM 190 CB VAL A 30 10.047 -4.485 -3.499 1.00 23.10 C ATOM 191 CG1 VAL A 30 10.374 -3.634 -4.716 1.00 15.14 C ATOM 192 CG2 VAL A 30 9.070 -5.586 -3.890 1.00 1.32 C ATOM 0 H VAL A 30 10.664 -5.358 -0.936 1.00 23.24 H new ATOM 0 HA VAL A 30 11.775 -5.741 -3.642 1.00 44.41 H new ATOM 0 HB VAL A 30 9.585 -3.850 -2.744 1.00 23.10 H new ATOM 0 HG11 VAL A 30 9.454 -3.221 -5.129 1.00 15.14 H new ATOM 0 HG12 VAL A 30 11.037 -2.820 -4.423 1.00 15.14 H new ATOM 0 HG13 VAL A 30 10.866 -4.250 -5.469 1.00 15.14 H new ATOM 0 HG21 VAL A 30 8.173 -5.141 -4.321 1.00 1.32 H new ATOM 0 HG22 VAL A 30 9.537 -6.243 -4.623 1.00 1.32 H new ATOM 0 HG23 VAL A 30 8.799 -6.163 -3.006 1.00 1.32 H new ATOM 202 N GLU A 31 13.277 -3.753 -3.314 1.00 64.30 N ATOM 203 CA GLU A 31 14.226 -2.728 -3.010 1.00 13.51 C ATOM 204 C GLU A 31 13.795 -1.444 -3.655 1.00 33.54 C ATOM 205 O GLU A 31 13.364 -1.439 -4.808 1.00 32.11 O ATOM 206 CB GLU A 31 15.602 -3.065 -3.533 1.00 11.20 C ATOM 207 CG GLU A 31 16.131 -4.422 -3.146 1.00 51.10 C ATOM 208 CD GLU A 31 17.504 -4.652 -3.694 1.00 63.43 C ATOM 209 OE1 GLU A 31 18.485 -4.190 -3.080 1.00 32.32 O ATOM 210 OE2 GLU A 31 17.632 -5.299 -4.744 1.00 35.51 O ATOM 0 H GLU A 31 13.431 -4.239 -4.197 1.00 64.30 H new ATOM 0 HA GLU A 31 14.270 -2.636 -1.925 1.00 13.51 H new ATOM 0 HB2 GLU A 31 15.584 -2.999 -4.621 1.00 11.20 H new ATOM 0 HB3 GLU A 31 16.301 -2.308 -3.179 1.00 11.20 H new ATOM 0 HG2 GLU A 31 16.152 -4.509 -2.060 1.00 51.10 H new ATOM 0 HG3 GLU A 31 15.457 -5.195 -3.515 1.00 51.10 H new ATOM 217 N ILE A 32 13.899 -0.376 -2.937 1.00 23.42 N ATOM 218 CA ILE A 32 13.617 0.915 -3.478 1.00 25.32 C ATOM 219 C ILE A 32 14.882 1.736 -3.420 1.00 5.44 C ATOM 220 O ILE A 32 15.805 1.425 -2.642 1.00 74.11 O ATOM 221 CB ILE A 32 12.443 1.647 -2.760 1.00 32.52 C ATOM 222 CG1 ILE A 32 12.741 1.840 -1.268 1.00 3.45 C ATOM 223 CG2 ILE A 32 11.130 0.887 -2.968 1.00 11.43 C ATOM 224 CD1 ILE A 32 11.660 2.577 -0.509 1.00 24.31 C ATOM 0 H ILE A 32 14.182 -0.372 -1.957 1.00 23.42 H new ATOM 0 HA ILE A 32 13.285 0.787 -4.508 1.00 25.32 H new ATOM 0 HB ILE A 32 12.337 2.637 -3.204 1.00 32.52 H new ATOM 0 HG12 ILE A 32 12.889 0.862 -0.809 1.00 3.45 H new ATOM 0 HG13 ILE A 32 13.679 2.386 -1.164 1.00 3.45 H new ATOM 0 HG21 ILE A 32 10.321 1.412 -2.460 1.00 11.43 H new ATOM 0 HG22 ILE A 32 10.910 0.826 -4.034 1.00 11.43 H new ATOM 0 HG23 ILE A 32 11.223 -0.119 -2.559 1.00 11.43 H new ATOM 0 HD11 ILE A 32 11.950 2.671 0.538 1.00 24.31 H new ATOM 0 HD12 ILE A 32 11.526 3.570 -0.939 1.00 24.31 H new ATOM 0 HD13 ILE A 32 10.724 2.022 -0.578 1.00 24.31 H new ATOM 236 N LYS A 33 14.958 2.743 -4.224 1.00 43.42 N ATOM 237 CA LYS A 33 16.150 3.569 -4.288 1.00 4.30 C ATOM 238 C LYS A 33 15.978 4.707 -3.313 1.00 12.32 C ATOM 239 O LYS A 33 16.933 5.396 -2.945 1.00 54.33 O ATOM 240 CB LYS A 33 16.280 4.132 -5.690 1.00 33.41 C ATOM 241 CG LYS A 33 16.089 3.092 -6.768 1.00 34.51 C ATOM 242 CD LYS A 33 16.064 3.711 -8.143 1.00 72.53 C ATOM 243 CE LYS A 33 15.592 2.703 -9.169 1.00 31.13 C ATOM 244 NZ LYS A 33 14.238 2.196 -8.837 1.00 74.11 N ATOM 0 H LYS A 33 14.210 3.028 -4.857 1.00 43.42 H new ATOM 0 HA LYS A 33 17.038 2.987 -4.043 1.00 4.30 H new ATOM 0 HB2 LYS A 33 15.545 4.926 -5.826 1.00 33.41 H new ATOM 0 HB3 LYS A 33 17.264 4.586 -5.802 1.00 33.41 H new ATOM 0 HG2 LYS A 33 16.894 2.359 -6.713 1.00 34.51 H new ATOM 0 HG3 LYS A 33 15.157 2.555 -6.594 1.00 34.51 H new ATOM 0 HD2 LYS A 33 15.404 4.578 -8.146 1.00 72.53 H new ATOM 0 HD3 LYS A 33 17.060 4.068 -8.406 1.00 72.53 H new ATOM 0 HE2 LYS A 33 15.579 3.164 -10.157 1.00 31.13 H new ATOM 0 HE3 LYS A 33 16.294 1.871 -9.215 1.00 31.13 H new ATOM 0 HZ1 LYS A 33 13.756 1.898 -9.709 1.00 74.11 H new ATOM 0 HZ2 LYS A 33 14.320 1.385 -8.191 1.00 74.11 H new ATOM 0 HZ3 LYS A 33 13.688 2.950 -8.378 1.00 74.11 H new ATOM 258 N ALA A 34 14.747 4.880 -2.902 1.00 41.32 N ATOM 259 CA ALA A 34 14.359 5.922 -2.008 1.00 3.01 C ATOM 260 C ALA A 34 14.740 5.610 -0.580 1.00 23.21 C ATOM 261 O ALA A 34 14.791 4.448 -0.166 1.00 11.11 O ATOM 262 CB ALA A 34 12.872 6.163 -2.118 1.00 31.21 C ATOM 0 H ALA A 34 13.974 4.281 -3.192 1.00 41.32 H new ATOM 0 HA ALA A 34 14.895 6.827 -2.294 1.00 3.01 H new ATOM 0 HB1 ALA A 34 12.581 6.960 -1.433 1.00 31.21 H new ATOM 0 HB2 ALA A 34 12.625 6.454 -3.139 1.00 31.21 H new ATOM 0 HB3 ALA A 34 12.335 5.250 -1.861 1.00 31.21 H new ATOM 268 N SER A 35 14.997 6.651 0.149 1.00 61.13 N ATOM 269 CA SER A 35 15.376 6.583 1.523 1.00 43.22 C ATOM 270 C SER A 35 14.160 6.393 2.435 1.00 20.00 C ATOM 271 O SER A 35 13.157 7.119 2.309 1.00 53.23 O ATOM 272 CB SER A 35 16.084 7.894 1.858 1.00 40.34 C ATOM 273 OG SER A 35 17.299 8.014 1.136 1.00 63.43 O ATOM 0 H SER A 35 14.946 7.604 -0.210 1.00 61.13 H new ATOM 0 HA SER A 35 16.029 5.726 1.685 1.00 43.22 H new ATOM 0 HB2 SER A 35 15.432 8.735 1.621 1.00 40.34 H new ATOM 0 HB3 SER A 35 16.287 7.939 2.928 1.00 40.34 H new ATOM 0 HG SER A 35 17.734 8.862 1.366 1.00 63.43 H new ATOM 279 N ALA A 36 14.245 5.422 3.348 1.00 41.23 N ATOM 280 CA ALA A 36 13.215 5.220 4.359 1.00 73.33 C ATOM 281 C ALA A 36 13.171 6.437 5.239 1.00 71.42 C ATOM 282 O ALA A 36 12.108 6.871 5.682 1.00 72.04 O ATOM 283 CB ALA A 36 13.509 3.995 5.205 1.00 43.44 C ATOM 0 H ALA A 36 15.022 4.763 3.404 1.00 41.23 H new ATOM 0 HA ALA A 36 12.256 5.064 3.864 1.00 73.33 H new ATOM 0 HB1 ALA A 36 12.723 3.870 5.950 1.00 43.44 H new ATOM 0 HB2 ALA A 36 13.547 3.112 4.566 1.00 43.44 H new ATOM 0 HB3 ALA A 36 14.468 4.121 5.707 1.00 43.44 H new ATOM 289 N ASP A 37 14.353 7.000 5.465 1.00 51.43 N ATOM 290 CA ASP A 37 14.511 8.237 6.204 1.00 51.34 C ATOM 291 C ASP A 37 13.707 9.333 5.545 1.00 62.10 C ATOM 292 O ASP A 37 13.013 10.095 6.205 1.00 1.32 O ATOM 293 CB ASP A 37 15.989 8.645 6.244 1.00 72.32 C ATOM 294 CG ASP A 37 16.201 10.005 6.869 1.00 62.34 C ATOM 295 OD1 ASP A 37 16.348 10.095 8.095 1.00 65.55 O ATOM 296 OD2 ASP A 37 16.220 11.006 6.141 1.00 72.45 O ATOM 0 H ASP A 37 15.233 6.603 5.135 1.00 51.43 H new ATOM 0 HA ASP A 37 14.154 8.084 7.222 1.00 51.34 H new ATOM 0 HB2 ASP A 37 16.553 7.900 6.805 1.00 72.32 H new ATOM 0 HB3 ASP A 37 16.388 8.649 5.230 1.00 72.32 H new ATOM 301 N LYS A 38 13.760 9.366 4.230 1.00 73.53 N ATOM 302 CA LYS A 38 13.084 10.370 3.462 1.00 73.53 C ATOM 303 C LYS A 38 11.569 10.163 3.523 1.00 12.15 C ATOM 304 O LYS A 38 10.806 11.120 3.610 1.00 42.04 O ATOM 305 CB LYS A 38 13.559 10.339 2.023 1.00 2.44 C ATOM 306 CG LYS A 38 13.006 11.461 1.249 1.00 11.12 C ATOM 307 CD LYS A 38 13.404 11.444 -0.193 1.00 43.41 C ATOM 308 CE LYS A 38 12.832 12.665 -0.863 1.00 31.25 C ATOM 309 NZ LYS A 38 13.157 12.727 -2.297 1.00 72.54 N ATOM 0 H LYS A 38 14.278 8.690 3.668 1.00 73.53 H new ATOM 0 HA LYS A 38 13.318 11.346 3.888 1.00 73.53 H new ATOM 0 HB2 LYS A 38 14.648 10.379 1.997 1.00 2.44 H new ATOM 0 HB3 LYS A 38 13.264 9.397 1.561 1.00 2.44 H new ATOM 0 HG2 LYS A 38 11.918 11.439 1.318 1.00 11.12 H new ATOM 0 HG3 LYS A 38 13.335 12.399 1.698 1.00 11.12 H new ATOM 0 HD2 LYS A 38 14.490 11.435 -0.286 1.00 43.41 H new ATOM 0 HD3 LYS A 38 13.036 10.539 -0.677 1.00 43.41 H new ATOM 0 HE2 LYS A 38 11.749 12.669 -0.739 1.00 31.25 H new ATOM 0 HE3 LYS A 38 13.213 13.559 -0.369 1.00 31.25 H new ATOM 0 HZ1 LYS A 38 13.349 13.713 -2.567 1.00 72.54 H new ATOM 0 HZ2 LYS A 38 13.998 12.145 -2.488 1.00 72.54 H new ATOM 0 HZ3 LYS A 38 12.354 12.367 -2.851 1.00 72.54 H new ATOM 323 N PHE A 39 11.143 8.908 3.500 1.00 53.31 N ATOM 324 CA PHE A 39 9.723 8.571 3.609 1.00 22.55 C ATOM 325 C PHE A 39 9.252 9.024 5.012 1.00 34.43 C ATOM 326 O PHE A 39 8.174 9.588 5.182 1.00 11.40 O ATOM 327 CB PHE A 39 9.548 7.042 3.442 1.00 40.02 C ATOM 328 CG PHE A 39 8.132 6.546 3.156 1.00 62.54 C ATOM 329 CD1 PHE A 39 7.009 7.255 3.556 1.00 11.33 C ATOM 330 CD2 PHE A 39 7.945 5.349 2.483 1.00 41.25 C ATOM 331 CE1 PHE A 39 5.739 6.783 3.288 1.00 23.41 C ATOM 332 CE2 PHE A 39 6.678 4.872 2.216 1.00 21.30 C ATOM 333 CZ PHE A 39 5.574 5.590 2.617 1.00 4.45 C ATOM 0 H PHE A 39 11.760 8.101 3.407 1.00 53.31 H new ATOM 0 HA PHE A 39 9.134 9.066 2.837 1.00 22.55 H new ATOM 0 HB2 PHE A 39 10.196 6.711 2.630 1.00 40.02 H new ATOM 0 HB3 PHE A 39 9.903 6.557 4.351 1.00 40.02 H new ATOM 0 HD1 PHE A 39 7.129 8.189 4.084 1.00 11.33 H new ATOM 0 HD2 PHE A 39 8.805 4.780 2.162 1.00 41.25 H new ATOM 0 HE1 PHE A 39 4.875 7.349 3.604 1.00 23.41 H new ATOM 0 HE2 PHE A 39 6.553 3.936 1.693 1.00 21.30 H new ATOM 0 HZ PHE A 39 4.581 5.220 2.407 1.00 4.45 H new ATOM 343 N HIS A 40 10.114 8.800 5.991 1.00 42.12 N ATOM 344 CA HIS A 40 9.892 9.203 7.375 1.00 52.30 C ATOM 345 C HIS A 40 9.742 10.738 7.485 1.00 13.34 C ATOM 346 O HIS A 40 9.012 11.231 8.339 1.00 4.12 O ATOM 347 CB HIS A 40 11.049 8.669 8.241 1.00 0.14 C ATOM 348 CG HIS A 40 11.032 9.054 9.688 1.00 25.21 C ATOM 349 ND1 HIS A 40 12.074 9.701 10.278 1.00 51.14 N ATOM 350 CD2 HIS A 40 10.135 8.820 10.672 1.00 72.14 C ATOM 351 CE1 HIS A 40 11.841 9.853 11.550 1.00 33.41 C ATOM 352 NE2 HIS A 40 10.673 9.331 11.826 1.00 40.45 N ATOM 0 H HIS A 40 11.005 8.324 5.846 1.00 42.12 H new ATOM 0 HA HIS A 40 8.959 8.775 7.741 1.00 52.30 H new ATOM 0 HB2 HIS A 40 11.049 7.581 8.177 1.00 0.14 H new ATOM 0 HB3 HIS A 40 11.988 9.014 7.807 1.00 0.14 H new ATOM 0 HD2 HIS A 40 9.180 8.326 10.570 1.00 72.14 H new ATOM 0 HE1 HIS A 40 12.501 10.330 12.259 1.00 33.41 H new ATOM 0 HE2 HIS A 40 10.235 9.308 12.747 1.00 40.45 H new ATOM 361 N HIS A 41 10.409 11.470 6.589 1.00 31.34 N ATOM 362 CA HIS A 41 10.302 12.947 6.535 1.00 52.32 C ATOM 363 C HIS A 41 8.884 13.375 6.219 1.00 45.14 C ATOM 364 O HIS A 41 8.461 14.442 6.603 1.00 4.21 O ATOM 365 CB HIS A 41 11.234 13.591 5.491 1.00 44.15 C ATOM 366 CG HIS A 41 12.708 13.499 5.748 1.00 15.04 C ATOM 367 ND1 HIS A 41 13.636 14.011 4.881 1.00 34.14 N ATOM 368 CD2 HIS A 41 13.411 12.962 6.762 1.00 33.02 C ATOM 369 CE1 HIS A 41 14.841 13.793 5.348 1.00 55.44 C ATOM 370 NE2 HIS A 41 14.739 13.158 6.489 1.00 14.43 N ATOM 0 H HIS A 41 11.032 11.072 5.886 1.00 31.34 H new ATOM 0 HA HIS A 41 10.604 13.292 7.524 1.00 52.32 H new ATOM 0 HB2 HIS A 41 11.029 13.131 4.524 1.00 44.15 H new ATOM 0 HB3 HIS A 41 10.970 14.645 5.405 1.00 44.15 H new ATOM 0 HD2 HIS A 41 13.003 12.467 7.631 1.00 33.02 H new ATOM 0 HE1 HIS A 41 15.764 14.088 4.871 1.00 55.44 H new ATOM 0 HE2 HIS A 41 15.518 12.859 7.076 1.00 14.43 H new ATOM 778 N THR A 70 -4.327 8.398 10.252 1.00 53.42 N ATOM 779 CA THR A 70 -4.880 7.873 11.457 1.00 42.14 C ATOM 780 C THR A 70 -5.151 6.362 11.319 1.00 45.22 C ATOM 781 O THR A 70 -5.525 5.880 10.242 1.00 51.02 O ATOM 782 CB THR A 70 -6.189 8.635 11.766 1.00 41.42 C ATOM 783 OG1 THR A 70 -5.905 10.044 11.781 1.00 40.41 O ATOM 784 CG2 THR A 70 -6.769 8.240 13.113 1.00 22.23 C ATOM 0 HA THR A 70 -4.173 8.006 12.276 1.00 42.14 H new ATOM 0 HB THR A 70 -6.920 8.384 10.997 1.00 41.42 H new ATOM 0 HG1 THR A 70 -5.115 10.224 11.230 1.00 40.41 H new ATOM 0 HG21 THR A 70 -7.688 8.798 13.291 1.00 22.23 H new ATOM 0 HG22 THR A 70 -6.987 7.172 13.116 1.00 22.23 H new ATOM 0 HG23 THR A 70 -6.049 8.466 13.900 1.00 22.23 H new ATOM 792 N VAL A 71 -4.929 5.630 12.391 1.00 22.34 N ATOM 793 CA VAL A 71 -5.196 4.203 12.421 1.00 52.43 C ATOM 794 C VAL A 71 -6.712 3.966 12.410 1.00 54.04 C ATOM 795 O VAL A 71 -7.456 4.601 13.175 1.00 35.35 O ATOM 796 CB VAL A 71 -4.571 3.546 13.681 1.00 2.51 C ATOM 797 CG1 VAL A 71 -4.858 2.058 13.728 1.00 63.03 C ATOM 798 CG2 VAL A 71 -3.076 3.798 13.733 1.00 33.11 C ATOM 0 H VAL A 71 -4.559 6.004 13.265 1.00 22.34 H new ATOM 0 HA VAL A 71 -4.745 3.748 11.540 1.00 52.43 H new ATOM 0 HB VAL A 71 -5.032 4.005 14.555 1.00 2.51 H new ATOM 0 HG11 VAL A 71 -4.407 1.628 14.622 1.00 63.03 H new ATOM 0 HG12 VAL A 71 -5.936 1.896 13.752 1.00 63.03 H new ATOM 0 HG13 VAL A 71 -4.438 1.578 12.844 1.00 63.03 H new ATOM 0 HG21 VAL A 71 -2.659 3.329 14.624 1.00 33.11 H new ATOM 0 HG22 VAL A 71 -2.605 3.375 12.846 1.00 33.11 H new ATOM 0 HG23 VAL A 71 -2.889 4.871 13.767 1.00 33.11 H new ATOM 808 N GLY A 72 -7.163 3.079 11.534 1.00 62.22 N ATOM 809 CA GLY A 72 -8.572 2.773 11.428 1.00 11.44 C ATOM 810 C GLY A 72 -9.248 3.587 10.355 1.00 71.34 C ATOM 811 O GLY A 72 -10.440 3.402 10.076 1.00 31.42 O ATOM 0 H GLY A 72 -6.568 2.561 10.888 1.00 62.22 H new ATOM 0 HA2 GLY A 72 -8.697 1.712 11.211 1.00 11.44 H new ATOM 0 HA3 GLY A 72 -9.057 2.962 12.386 1.00 11.44 H new ATOM 815 N SER A 73 -8.499 4.481 9.747 1.00 30.34 N ATOM 816 CA SER A 73 -9.014 5.321 8.700 1.00 62.43 C ATOM 817 C SER A 73 -9.105 4.576 7.386 1.00 53.01 C ATOM 818 O SER A 73 -8.315 3.685 7.110 1.00 61.43 O ATOM 819 CB SER A 73 -8.148 6.544 8.553 1.00 41.31 C ATOM 820 OG SER A 73 -8.145 7.294 9.755 1.00 13.51 O ATOM 0 H SER A 73 -7.516 4.642 9.968 1.00 30.34 H new ATOM 0 HA SER A 73 -10.024 5.627 8.975 1.00 62.43 H new ATOM 0 HB2 SER A 73 -7.130 6.248 8.299 1.00 41.31 H new ATOM 0 HB3 SER A 73 -8.515 7.161 7.733 1.00 41.31 H new ATOM 0 HG SER A 73 -8.306 8.239 9.551 1.00 13.51 H new ATOM 826 N ILE A 74 -10.068 4.937 6.601 1.00 14.44 N ATOM 827 CA ILE A 74 -10.294 4.335 5.325 1.00 23.54 C ATOM 828 C ILE A 74 -10.087 5.364 4.239 1.00 22.54 C ATOM 829 O ILE A 74 -10.677 6.439 4.275 1.00 72.11 O ATOM 830 CB ILE A 74 -11.710 3.725 5.273 1.00 1.23 C ATOM 831 CG1 ILE A 74 -11.755 2.558 6.258 1.00 62.50 C ATOM 832 CG2 ILE A 74 -12.082 3.273 3.862 1.00 34.14 C ATOM 833 CD1 ILE A 74 -13.100 1.929 6.434 1.00 75.12 C ATOM 0 H ILE A 74 -10.734 5.674 6.833 1.00 14.44 H new ATOM 0 HA ILE A 74 -9.582 3.526 5.165 1.00 23.54 H new ATOM 0 HB ILE A 74 -12.444 4.481 5.552 1.00 1.23 H new ATOM 0 HG12 ILE A 74 -11.054 1.793 5.924 1.00 62.50 H new ATOM 0 HG13 ILE A 74 -11.405 2.908 7.229 1.00 62.50 H new ATOM 0 HG21 ILE A 74 -13.086 2.849 3.869 1.00 34.14 H new ATOM 0 HG22 ILE A 74 -12.053 4.128 3.187 1.00 34.14 H new ATOM 0 HG23 ILE A 74 -11.372 2.519 3.523 1.00 34.14 H new ATOM 0 HD11 ILE A 74 -13.028 1.112 7.152 1.00 75.12 H new ATOM 0 HD12 ILE A 74 -13.805 2.674 6.802 1.00 75.12 H new ATOM 0 HD13 ILE A 74 -13.449 1.542 5.477 1.00 75.12 H new ATOM 845 N VAL A 75 -9.251 5.044 3.301 1.00 41.42 N ATOM 846 CA VAL A 75 -8.914 5.944 2.223 1.00 72.31 C ATOM 847 C VAL A 75 -9.054 5.184 0.911 1.00 15.03 C ATOM 848 O VAL A 75 -9.044 3.963 0.917 1.00 40.15 O ATOM 849 CB VAL A 75 -7.457 6.505 2.402 1.00 43.02 C ATOM 850 CG1 VAL A 75 -6.412 5.396 2.355 1.00 40.54 C ATOM 851 CG2 VAL A 75 -7.138 7.611 1.395 1.00 1.35 C ATOM 0 H VAL A 75 -8.774 4.143 3.254 1.00 41.42 H new ATOM 0 HA VAL A 75 -9.588 6.801 2.224 1.00 72.31 H new ATOM 0 HB VAL A 75 -7.416 6.952 3.395 1.00 43.02 H new ATOM 0 HG11 VAL A 75 -5.419 5.826 2.483 1.00 40.54 H new ATOM 0 HG12 VAL A 75 -6.603 4.682 3.156 1.00 40.54 H new ATOM 0 HG13 VAL A 75 -6.466 4.886 1.393 1.00 40.54 H new ATOM 0 HG21 VAL A 75 -6.121 7.968 1.557 1.00 1.35 H new ATOM 0 HG22 VAL A 75 -7.228 7.218 0.382 1.00 1.35 H new ATOM 0 HG23 VAL A 75 -7.838 8.436 1.527 1.00 1.35 H new ATOM 861 N PHE A 76 -9.233 5.884 -0.188 1.00 21.21 N ATOM 862 CA PHE A 76 -9.375 5.229 -1.463 1.00 60.41 C ATOM 863 C PHE A 76 -8.381 5.776 -2.445 1.00 72.52 C ATOM 864 O PHE A 76 -8.314 6.991 -2.674 1.00 12.35 O ATOM 865 CB PHE A 76 -10.805 5.358 -1.990 1.00 30.42 C ATOM 866 CG PHE A 76 -11.807 4.785 -1.039 1.00 4.34 C ATOM 867 CD1 PHE A 76 -11.764 3.449 -0.738 1.00 31.43 C ATOM 868 CD2 PHE A 76 -12.757 5.580 -0.424 1.00 11.14 C ATOM 869 CE1 PHE A 76 -12.638 2.893 0.149 1.00 15.21 C ATOM 870 CE2 PHE A 76 -13.649 5.031 0.476 1.00 55.34 C ATOM 871 CZ PHE A 76 -13.589 3.681 0.764 1.00 35.32 C ATOM 0 H PHE A 76 -9.283 6.902 -0.221 1.00 21.21 H new ATOM 0 HA PHE A 76 -9.171 4.167 -1.329 1.00 60.41 H new ATOM 0 HB2 PHE A 76 -11.033 6.409 -2.167 1.00 30.42 H new ATOM 0 HB3 PHE A 76 -10.885 4.849 -2.951 1.00 30.42 H new ATOM 0 HD1 PHE A 76 -11.023 2.823 -1.213 1.00 31.43 H new ATOM 0 HD2 PHE A 76 -12.801 6.635 -0.649 1.00 11.14 H new ATOM 0 HE1 PHE A 76 -12.586 1.837 0.370 1.00 15.21 H new ATOM 0 HE2 PHE A 76 -14.391 5.655 0.953 1.00 55.34 H new ATOM 0 HZ PHE A 76 -14.283 3.245 1.467 1.00 35.32 H new ATOM 881 N TRP A 77 -7.601 4.906 -3.007 1.00 44.05 N ATOM 882 CA TRP A 77 -6.597 5.293 -3.930 1.00 4.00 C ATOM 883 C TRP A 77 -6.998 4.830 -5.331 1.00 22.35 C ATOM 884 O TRP A 77 -7.530 3.719 -5.503 1.00 14.42 O ATOM 885 CB TRP A 77 -5.266 4.676 -3.491 1.00 55.14 C ATOM 886 CG TRP A 77 -4.081 5.213 -4.212 1.00 32.12 C ATOM 887 CD1 TRP A 77 -3.619 4.811 -5.407 1.00 33.42 C ATOM 888 CD2 TRP A 77 -3.206 6.254 -3.764 1.00 11.33 C ATOM 889 NE1 TRP A 77 -2.504 5.532 -5.756 1.00 13.03 N ATOM 890 CE2 TRP A 77 -2.229 6.429 -4.757 1.00 32.45 C ATOM 891 CE3 TRP A 77 -3.159 7.057 -2.619 1.00 52.23 C ATOM 892 CZ2 TRP A 77 -1.210 7.373 -4.644 1.00 31.14 C ATOM 893 CZ3 TRP A 77 -2.149 7.993 -2.507 1.00 14.23 C ATOM 894 CH2 TRP A 77 -1.188 8.145 -3.512 1.00 60.23 C ATOM 0 H TRP A 77 -7.649 3.902 -2.833 1.00 44.05 H new ATOM 0 HA TRP A 77 -6.485 6.377 -3.954 1.00 4.00 H new ATOM 0 HB2 TRP A 77 -5.135 4.844 -2.422 1.00 55.14 H new ATOM 0 HB3 TRP A 77 -5.311 3.597 -3.641 1.00 55.14 H new ATOM 0 HD1 TRP A 77 -4.062 4.031 -6.008 1.00 33.42 H new ATOM 0 HE1 TRP A 77 -1.969 5.419 -6.617 1.00 13.03 H new ATOM 0 HE3 TRP A 77 -3.897 6.947 -1.839 1.00 52.23 H new ATOM 0 HZ2 TRP A 77 -0.467 7.492 -5.418 1.00 31.14 H new ATOM 0 HZ3 TRP A 77 -2.101 8.618 -1.628 1.00 14.23 H new ATOM 0 HH2 TRP A 77 -0.412 8.887 -3.393 1.00 60.23 H new ATOM 905 N ASN A 78 -6.776 5.686 -6.311 1.00 0.00 N ATOM 906 CA ASN A 78 -7.086 5.385 -7.701 1.00 30.10 C ATOM 907 C ASN A 78 -5.811 5.040 -8.403 1.00 40.15 C ATOM 908 O ASN A 78 -4.811 5.753 -8.273 1.00 54.04 O ATOM 909 CB ASN A 78 -7.739 6.588 -8.413 1.00 10.53 C ATOM 910 CG ASN A 78 -9.084 6.987 -7.840 1.00 24.35 C ATOM 911 OD1 ASN A 78 -10.127 6.509 -8.276 1.00 43.10 O ATOM 912 ND2 ASN A 78 -9.073 7.868 -6.880 1.00 31.04 N ATOM 0 H ASN A 78 -6.375 6.613 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.792 4.555 -7.728 1.00 30.10 H new ATOM 0 HB2 ASN A 78 -7.063 7.442 -8.356 1.00 10.53 H new ATOM 0 HB3 ASN A 78 -7.862 6.349 -9.469 1.00 10.53 H new ATOM 0 HD21 ASN A 78 -9.951 8.182 -6.466 1.00 31.04 H new ATOM 0 HD22 ASN A 78 -8.187 8.244 -6.543 1.00 31.04 H new ATOM 919 N TYR A 79 -5.827 3.971 -9.126 1.00 1.23 N ATOM 920 CA TYR A 79 -4.656 3.491 -9.805 1.00 42.40 C ATOM 921 C TYR A 79 -5.038 2.852 -11.106 1.00 63.22 C ATOM 922 O TYR A 79 -6.182 2.425 -11.287 1.00 34.11 O ATOM 923 CB TYR A 79 -3.898 2.484 -8.904 1.00 10.35 C ATOM 924 CG TYR A 79 -4.773 1.369 -8.333 1.00 30.12 C ATOM 925 CD1 TYR A 79 -4.993 0.181 -9.020 1.00 41.15 C ATOM 926 CD2 TYR A 79 -5.378 1.518 -7.099 1.00 44.34 C ATOM 927 CE1 TYR A 79 -5.790 -0.811 -8.489 1.00 33.32 C ATOM 928 CE2 TYR A 79 -6.169 0.534 -6.568 1.00 1.44 C ATOM 929 CZ TYR A 79 -6.377 -0.632 -7.268 1.00 10.12 C ATOM 930 OH TYR A 79 -7.198 -1.627 -6.740 1.00 53.12 O ATOM 0 H TYR A 79 -6.657 3.396 -9.268 1.00 1.23 H new ATOM 0 HA TYR A 79 -3.997 4.333 -10.016 1.00 42.40 H new ATOM 0 HB2 TYR A 79 -3.089 2.036 -9.481 1.00 10.35 H new ATOM 0 HB3 TYR A 79 -3.438 3.028 -8.079 1.00 10.35 H new ATOM 0 HD1 TYR A 79 -4.532 0.032 -9.985 1.00 41.15 H new ATOM 0 HD2 TYR A 79 -5.224 2.430 -6.542 1.00 44.34 H new ATOM 0 HE1 TYR A 79 -5.950 -1.728 -9.037 1.00 33.32 H new ATOM 0 HE2 TYR A 79 -6.629 0.673 -5.601 1.00 1.44 H new ATOM 0 HH TYR A 79 -6.694 -2.152 -6.084 1.00 53.12 H new ATOM 940 N VAL A 80 -4.113 2.798 -12.008 1.00 14.40 N ATOM 941 CA VAL A 80 -4.326 2.135 -13.247 1.00 34.11 C ATOM 942 C VAL A 80 -3.554 0.851 -13.203 1.00 1.01 C ATOM 943 O VAL A 80 -2.333 0.848 -13.070 1.00 24.20 O ATOM 944 CB VAL A 80 -3.886 2.989 -14.466 1.00 11.34 C ATOM 945 CG1 VAL A 80 -4.130 2.239 -15.785 1.00 11.41 C ATOM 946 CG2 VAL A 80 -4.634 4.314 -14.467 1.00 15.32 C ATOM 0 H VAL A 80 -3.188 3.214 -11.904 1.00 14.40 H new ATOM 0 HA VAL A 80 -5.393 1.955 -13.377 1.00 34.11 H new ATOM 0 HB VAL A 80 -2.816 3.181 -14.382 1.00 11.34 H new ATOM 0 HG11 VAL A 80 -3.812 2.861 -16.622 1.00 11.41 H new ATOM 0 HG12 VAL A 80 -3.559 1.310 -15.786 1.00 11.41 H new ATOM 0 HG13 VAL A 80 -5.192 2.013 -15.884 1.00 11.41 H new ATOM 0 HG21 VAL A 80 -4.320 4.908 -15.325 1.00 15.32 H new ATOM 0 HG22 VAL A 80 -5.706 4.127 -14.528 1.00 15.32 H new ATOM 0 HG23 VAL A 80 -4.412 4.858 -13.549 1.00 15.32 H new ATOM 956 N HIS A 81 -4.259 -0.221 -13.294 1.00 21.03 N ATOM 957 CA HIS A 81 -3.680 -1.520 -13.200 1.00 52.30 C ATOM 958 C HIS A 81 -4.354 -2.410 -14.224 1.00 13.12 C ATOM 959 O HIS A 81 -5.578 -2.551 -14.214 1.00 72.54 O ATOM 960 CB HIS A 81 -3.836 -2.042 -11.755 1.00 54.42 C ATOM 961 CG HIS A 81 -3.239 -3.381 -11.493 1.00 22.13 C ATOM 962 ND1 HIS A 81 -1.934 -3.552 -11.131 1.00 2.54 N ATOM 963 CD2 HIS A 81 -3.780 -4.609 -11.532 1.00 2.21 C ATOM 964 CE1 HIS A 81 -1.682 -4.828 -10.970 1.00 74.43 C ATOM 965 NE2 HIS A 81 -2.788 -5.495 -11.207 1.00 43.32 N ATOM 0 H HIS A 81 -5.269 -0.223 -13.438 1.00 21.03 H new ATOM 0 HA HIS A 81 -2.612 -1.504 -13.417 1.00 52.30 H new ATOM 0 HB2 HIS A 81 -3.382 -1.321 -11.075 1.00 54.42 H new ATOM 0 HB3 HIS A 81 -4.898 -2.083 -11.514 1.00 54.42 H new ATOM 0 HD1 HIS A 81 -1.257 -2.800 -11.005 1.00 2.54 H new ATOM 0 HD2 HIS A 81 -4.804 -4.852 -11.774 1.00 2.21 H new ATOM 0 HE1 HIS A 81 -0.731 -5.256 -10.691 1.00 74.43 H new ATOM 974 N ASP A 82 -3.550 -2.961 -15.129 1.00 45.41 N ATOM 975 CA ASP A 82 -4.021 -3.768 -16.281 1.00 65.13 C ATOM 976 C ASP A 82 -4.845 -2.917 -17.214 1.00 2.02 C ATOM 977 O ASP A 82 -5.720 -3.409 -17.915 1.00 53.43 O ATOM 978 CB ASP A 82 -4.833 -5.013 -15.863 1.00 64.11 C ATOM 979 CG ASP A 82 -4.030 -6.049 -15.137 1.00 40.45 C ATOM 980 OD1 ASP A 82 -3.124 -6.649 -15.750 1.00 30.01 O ATOM 981 OD2 ASP A 82 -4.276 -6.271 -13.947 1.00 54.13 O ATOM 0 H ASP A 82 -2.535 -2.866 -15.094 1.00 45.41 H new ATOM 0 HA ASP A 82 -3.126 -4.126 -16.789 1.00 65.13 H new ATOM 0 HB2 ASP A 82 -5.660 -4.698 -15.227 1.00 64.11 H new ATOM 0 HB3 ASP A 82 -5.270 -5.465 -16.754 1.00 64.11 H new ATOM 986 N GLY A 83 -4.531 -1.637 -17.249 1.00 5.12 N ATOM 987 CA GLY A 83 -5.218 -0.725 -18.137 1.00 71.42 C ATOM 988 C GLY A 83 -6.512 -0.188 -17.568 1.00 60.02 C ATOM 989 O GLY A 83 -7.120 0.709 -18.149 1.00 10.01 O ATOM 0 H GLY A 83 -3.806 -1.207 -16.674 1.00 5.12 H new ATOM 0 HA2 GLY A 83 -4.558 0.111 -18.368 1.00 71.42 H new ATOM 0 HA3 GLY A 83 -5.428 -1.235 -19.077 1.00 71.42 H new ATOM 993 N GLU A 84 -6.929 -0.710 -16.439 1.00 11.34 N ATOM 994 CA GLU A 84 -8.132 -0.239 -15.798 1.00 74.14 C ATOM 995 C GLU A 84 -7.805 0.775 -14.785 1.00 31.52 C ATOM 996 O GLU A 84 -6.835 0.623 -14.035 1.00 40.31 O ATOM 997 CB GLU A 84 -8.841 -1.340 -15.046 1.00 43.21 C ATOM 998 CG GLU A 84 -9.480 -2.398 -15.843 1.00 50.23 C ATOM 999 CD GLU A 84 -10.089 -3.439 -14.951 1.00 2.53 C ATOM 1000 OE1 GLU A 84 -11.253 -3.274 -14.529 1.00 55.44 O ATOM 1001 OE2 GLU A 84 -9.401 -4.426 -14.618 1.00 31.35 O ATOM 0 H GLU A 84 -6.451 -1.463 -15.945 1.00 11.34 H new ATOM 0 HA GLU A 84 -8.763 0.154 -16.596 1.00 74.14 H new ATOM 0 HB2 GLU A 84 -8.120 -1.810 -14.377 1.00 43.21 H new ATOM 0 HB3 GLU A 84 -9.606 -0.882 -14.419 1.00 43.21 H new ATOM 0 HG2 GLU A 84 -10.249 -1.964 -16.482 1.00 50.23 H new ATOM 0 HG3 GLU A 84 -8.743 -2.861 -16.500 1.00 50.23 H new ATOM 1008 N ALA A 85 -8.590 1.782 -14.745 1.00 71.51 N ATOM 1009 CA ALA A 85 -8.509 2.715 -13.684 1.00 2.24 C ATOM 1010 C ALA A 85 -9.391 2.133 -12.630 1.00 55.33 C ATOM 1011 O ALA A 85 -10.611 2.023 -12.810 1.00 61.33 O ATOM 1012 CB ALA A 85 -9.013 4.078 -14.123 1.00 64.42 C ATOM 0 H ALA A 85 -9.306 1.985 -15.443 1.00 71.51 H new ATOM 0 HA ALA A 85 -7.488 2.873 -13.337 1.00 2.24 H new ATOM 0 HB1 ALA A 85 -8.941 4.778 -13.291 1.00 64.42 H new ATOM 0 HB2 ALA A 85 -8.408 4.439 -14.954 1.00 64.42 H new ATOM 0 HB3 ALA A 85 -10.053 3.997 -14.440 1.00 64.42 H new ATOM 1018 N LYS A 86 -8.811 1.745 -11.566 1.00 42.12 N ATOM 1019 CA LYS A 86 -9.514 1.012 -10.588 1.00 10.33 C ATOM 1020 C LYS A 86 -9.183 1.490 -9.203 1.00 62.43 C ATOM 1021 O LYS A 86 -8.137 2.114 -8.984 1.00 3.31 O ATOM 1022 CB LYS A 86 -9.286 -0.489 -10.841 1.00 53.24 C ATOM 1023 CG LYS A 86 -7.855 -0.938 -10.862 1.00 21.44 C ATOM 1024 CD LYS A 86 -7.667 -2.214 -11.692 1.00 2.10 C ATOM 1025 CE LYS A 86 -8.643 -3.309 -11.344 1.00 63.14 C ATOM 1026 NZ LYS A 86 -8.399 -4.544 -12.126 1.00 21.22 N ATOM 0 H LYS A 86 -7.832 1.926 -11.345 1.00 42.12 H new ATOM 0 HA LYS A 86 -10.588 1.182 -10.667 1.00 10.33 H new ATOM 0 HB2 LYS A 86 -9.812 -1.052 -10.070 1.00 53.24 H new ATOM 0 HB3 LYS A 86 -9.743 -0.751 -11.795 1.00 53.24 H new ATOM 0 HG2 LYS A 86 -7.231 -0.143 -11.272 1.00 21.44 H new ATOM 0 HG3 LYS A 86 -7.515 -1.116 -9.842 1.00 21.44 H new ATOM 0 HD2 LYS A 86 -7.771 -1.969 -12.749 1.00 2.10 H new ATOM 0 HD3 LYS A 86 -6.652 -2.584 -11.549 1.00 2.10 H new ATOM 0 HE2 LYS A 86 -8.570 -3.534 -10.280 1.00 63.14 H new ATOM 0 HE3 LYS A 86 -9.659 -2.960 -11.527 1.00 63.14 H new ATOM 0 HZ1 LYS A 86 -8.868 -5.348 -11.661 1.00 21.22 H new ATOM 0 HZ2 LYS A 86 -8.782 -4.428 -13.086 1.00 21.22 H new ATOM 0 HZ3 LYS A 86 -7.376 -4.724 -12.180 1.00 21.22 H new ATOM 1040 N VAL A 87 -10.067 1.234 -8.281 1.00 24.32 N ATOM 1041 CA VAL A 87 -9.935 1.750 -6.941 1.00 43.50 C ATOM 1042 C VAL A 87 -9.753 0.609 -5.956 1.00 30.51 C ATOM 1043 O VAL A 87 -10.241 -0.510 -6.181 1.00 13.32 O ATOM 1044 CB VAL A 87 -11.209 2.577 -6.547 1.00 65.22 C ATOM 1045 CG1 VAL A 87 -11.074 3.227 -5.173 1.00 33.03 C ATOM 1046 CG2 VAL A 87 -11.525 3.624 -7.602 1.00 32.20 C ATOM 0 H VAL A 87 -10.899 0.664 -8.433 1.00 24.32 H new ATOM 0 HA VAL A 87 -9.061 2.400 -6.908 1.00 43.50 H new ATOM 0 HB VAL A 87 -12.039 1.872 -6.493 1.00 65.22 H new ATOM 0 HG11 VAL A 87 -11.980 3.788 -4.945 1.00 33.03 H new ATOM 0 HG12 VAL A 87 -10.926 2.455 -4.418 1.00 33.03 H new ATOM 0 HG13 VAL A 87 -10.219 3.903 -5.173 1.00 33.03 H new ATOM 0 HG21 VAL A 87 -12.412 4.183 -7.305 1.00 32.20 H new ATOM 0 HG22 VAL A 87 -10.681 4.307 -7.701 1.00 32.20 H new ATOM 0 HG23 VAL A 87 -11.708 3.133 -8.558 1.00 32.20 H new ATOM 1056 N ALA A 88 -9.024 0.867 -4.910 1.00 41.55 N ATOM 1057 CA ALA A 88 -8.866 -0.074 -3.844 1.00 31.43 C ATOM 1058 C ALA A 88 -9.598 0.454 -2.655 1.00 42.45 C ATOM 1059 O ALA A 88 -9.533 1.653 -2.364 1.00 42.22 O ATOM 1060 CB ALA A 88 -7.401 -0.267 -3.488 1.00 52.04 C ATOM 0 H ALA A 88 -8.519 1.743 -4.773 1.00 41.55 H new ATOM 0 HA ALA A 88 -9.263 -1.040 -4.156 1.00 31.43 H new ATOM 0 HB1 ALA A 88 -7.316 -0.988 -2.675 1.00 52.04 H new ATOM 0 HB2 ALA A 88 -6.861 -0.637 -4.359 1.00 52.04 H new ATOM 0 HB3 ALA A 88 -6.974 0.686 -3.174 1.00 52.04 H new ATOM 1066 N LYS A 89 -10.335 -0.401 -2.008 1.00 25.34 N ATOM 1067 CA LYS A 89 -10.992 -0.047 -0.827 1.00 31.21 C ATOM 1068 C LYS A 89 -10.172 -0.649 0.282 1.00 34.42 C ATOM 1069 O LYS A 89 -10.012 -1.887 0.357 1.00 15.23 O ATOM 1070 CB LYS A 89 -12.413 -0.607 -0.867 1.00 33.51 C ATOM 1071 CG LYS A 89 -13.249 -0.087 -2.040 1.00 2.54 C ATOM 1072 CD LYS A 89 -14.591 -0.783 -2.099 1.00 71.51 C ATOM 1073 CE LYS A 89 -15.455 -0.281 -3.237 1.00 1.51 C ATOM 1074 NZ LYS A 89 -16.750 -0.993 -3.279 1.00 62.33 N ATOM 0 H LYS A 89 -10.485 -1.366 -2.304 1.00 25.34 H new ATOM 0 HA LYS A 89 -11.082 1.030 -0.685 1.00 31.21 H new ATOM 0 HB2 LYS A 89 -12.364 -1.694 -0.922 1.00 33.51 H new ATOM 0 HB3 LYS A 89 -12.918 -0.358 0.066 1.00 33.51 H new ATOM 0 HG2 LYS A 89 -13.397 0.988 -1.938 1.00 2.54 H new ATOM 0 HG3 LYS A 89 -12.711 -0.247 -2.974 1.00 2.54 H new ATOM 0 HD2 LYS A 89 -14.436 -1.856 -2.211 1.00 71.51 H new ATOM 0 HD3 LYS A 89 -15.116 -0.634 -1.155 1.00 71.51 H new ATOM 0 HE2 LYS A 89 -15.629 0.789 -3.121 1.00 1.51 H new ATOM 0 HE3 LYS A 89 -14.931 -0.418 -4.183 1.00 1.51 H new ATOM 0 HZ1 LYS A 89 -17.360 -0.561 -4.002 1.00 62.33 H new ATOM 0 HZ2 LYS A 89 -16.589 -1.993 -3.515 1.00 62.33 H new ATOM 0 HZ3 LYS A 89 -17.213 -0.926 -2.350 1.00 62.33 H new ATOM 1088 N GLU A 90 -9.677 0.183 1.137 1.00 23.22 N ATOM 1089 CA GLU A 90 -8.712 -0.231 2.107 1.00 42.15 C ATOM 1090 C GLU A 90 -8.892 0.505 3.412 1.00 4.32 C ATOM 1091 O GLU A 90 -9.431 1.614 3.455 1.00 44.12 O ATOM 1092 CB GLU A 90 -7.325 0.056 1.532 1.00 2.05 C ATOM 1093 CG GLU A 90 -7.160 1.513 1.120 1.00 14.14 C ATOM 1094 CD GLU A 90 -5.828 1.815 0.480 1.00 35.42 C ATOM 1095 OE1 GLU A 90 -4.841 2.054 1.214 1.00 75.33 O ATOM 1096 OE2 GLU A 90 -5.744 1.840 -0.768 1.00 41.31 O ATOM 0 H GLU A 90 -9.929 1.170 1.185 1.00 23.22 H new ATOM 0 HA GLU A 90 -8.836 -1.294 2.316 1.00 42.15 H new ATOM 0 HB2 GLU A 90 -6.567 -0.198 2.273 1.00 2.05 H new ATOM 0 HB3 GLU A 90 -7.153 -0.585 0.668 1.00 2.05 H new ATOM 0 HG2 GLU A 90 -7.956 1.777 0.424 1.00 14.14 H new ATOM 0 HG3 GLU A 90 -7.283 2.146 1.999 1.00 14.14 H new ATOM 1103 N ARG A 91 -8.463 -0.118 4.460 1.00 24.13 N ATOM 1104 CA ARG A 91 -8.495 0.463 5.764 1.00 22.12 C ATOM 1105 C ARG A 91 -7.092 0.471 6.301 1.00 64.12 C ATOM 1106 O ARG A 91 -6.357 -0.517 6.123 1.00 73.31 O ATOM 1107 CB ARG A 91 -9.371 -0.378 6.704 1.00 64.14 C ATOM 1108 CG ARG A 91 -9.514 0.204 8.106 1.00 51.24 C ATOM 1109 CD ARG A 91 -10.245 -0.747 9.034 1.00 15.30 C ATOM 1110 NE ARG A 91 -10.465 -0.155 10.362 1.00 14.43 N ATOM 1111 CZ ARG A 91 -10.244 -0.765 11.538 1.00 61.40 C ATOM 1112 NH1 ARG A 91 -9.783 -2.011 11.577 1.00 2.23 N ATOM 1113 NH2 ARG A 91 -10.510 -0.123 12.674 1.00 63.53 N ATOM 0 H ARG A 91 -8.074 -1.061 4.435 1.00 24.13 H new ATOM 0 HA ARG A 91 -8.905 1.471 5.704 1.00 22.12 H new ATOM 0 HB2 ARG A 91 -10.362 -0.483 6.263 1.00 64.14 H new ATOM 0 HB3 ARG A 91 -8.948 -1.380 6.779 1.00 64.14 H new ATOM 0 HG2 ARG A 91 -8.526 0.422 8.512 1.00 51.24 H new ATOM 0 HG3 ARG A 91 -10.054 1.150 8.055 1.00 51.24 H new ATOM 0 HD2 ARG A 91 -11.205 -1.018 8.594 1.00 15.30 H new ATOM 0 HD3 ARG A 91 -9.670 -1.667 9.137 1.00 15.30 H new ATOM 0 HE ARG A 91 -10.816 0.802 10.393 1.00 14.43 H new ATOM 0 HH11 ARG A 91 -9.594 -2.512 10.709 1.00 2.23 H new ATOM 0 HH12 ARG A 91 -9.618 -2.466 12.475 1.00 2.23 H new ATOM 0 HH21 ARG A 91 -10.880 0.827 12.648 1.00 63.53 H new ATOM 0 HH22 ARG A 91 -10.344 -0.582 13.570 1.00 63.53 H new ATOM 1127 N ILE A 92 -6.701 1.557 6.926 1.00 42.14 N ATOM 1128 CA ILE A 92 -5.428 1.598 7.588 1.00 73.33 C ATOM 1129 C ILE A 92 -5.602 0.775 8.833 1.00 45.24 C ATOM 1130 O ILE A 92 -6.457 1.086 9.663 1.00 34.24 O ATOM 1131 CB ILE A 92 -5.047 3.057 8.003 1.00 22.05 C ATOM 1132 CG1 ILE A 92 -5.003 4.004 6.780 1.00 2.41 C ATOM 1133 CG2 ILE A 92 -3.723 3.091 8.772 1.00 54.14 C ATOM 1134 CD1 ILE A 92 -4.010 3.607 5.705 1.00 14.13 C ATOM 0 H ILE A 92 -7.246 2.417 6.987 1.00 42.14 H new ATOM 0 HA ILE A 92 -4.640 1.228 6.931 1.00 73.33 H new ATOM 0 HB ILE A 92 -5.830 3.417 8.670 1.00 22.05 H new ATOM 0 HG12 ILE A 92 -5.998 4.049 6.337 1.00 2.41 H new ATOM 0 HG13 ILE A 92 -4.761 5.009 7.125 1.00 2.41 H new ATOM 0 HG21 ILE A 92 -3.487 4.119 9.045 1.00 54.14 H new ATOM 0 HG22 ILE A 92 -3.811 2.487 9.675 1.00 54.14 H new ATOM 0 HG23 ILE A 92 -2.927 2.691 8.144 1.00 54.14 H new ATOM 0 HD11 ILE A 92 -4.050 4.328 4.889 1.00 14.13 H new ATOM 0 HD12 ILE A 92 -3.005 3.591 6.126 1.00 14.13 H new ATOM 0 HD13 ILE A 92 -4.261 2.616 5.326 1.00 14.13 H new ATOM 1146 N GLU A 93 -4.823 -0.250 8.980 1.00 43.34 N ATOM 1147 CA GLU A 93 -5.000 -1.128 10.105 1.00 12.35 C ATOM 1148 C GLU A 93 -4.058 -0.711 11.225 1.00 53.31 C ATOM 1149 O GLU A 93 -4.406 -0.763 12.396 1.00 60.24 O ATOM 1150 CB GLU A 93 -4.746 -2.570 9.678 1.00 4.40 C ATOM 1151 CG GLU A 93 -5.781 -3.571 10.175 1.00 14.40 C ATOM 1152 CD GLU A 93 -5.927 -3.603 11.671 1.00 52.33 C ATOM 1153 OE1 GLU A 93 -5.155 -4.311 12.336 1.00 24.13 O ATOM 1154 OE2 GLU A 93 -6.839 -2.937 12.203 1.00 0.41 O ATOM 0 H GLU A 93 -4.065 -0.502 8.346 1.00 43.34 H new ATOM 0 HA GLU A 93 -6.024 -1.059 10.473 1.00 12.35 H new ATOM 0 HB2 GLU A 93 -4.713 -2.612 8.589 1.00 4.40 H new ATOM 0 HB3 GLU A 93 -3.763 -2.874 10.039 1.00 4.40 H new ATOM 0 HG2 GLU A 93 -6.747 -3.331 9.730 1.00 14.40 H new ATOM 0 HG3 GLU A 93 -5.507 -4.566 9.825 1.00 14.40 H new ATOM 1161 N ALA A 94 -2.884 -0.266 10.841 1.00 3.22 N ATOM 1162 CA ALA A 94 -1.872 0.182 11.767 1.00 62.12 C ATOM 1163 C ALA A 94 -0.893 1.036 11.014 1.00 61.34 C ATOM 1164 O ALA A 94 -0.583 0.737 9.852 1.00 74.14 O ATOM 1165 CB ALA A 94 -1.151 -1.010 12.388 1.00 33.44 C ATOM 0 H ALA A 94 -2.602 -0.205 9.863 1.00 3.22 H new ATOM 0 HA ALA A 94 -2.335 0.754 12.571 1.00 62.12 H new ATOM 0 HB1 ALA A 94 -0.391 -0.654 13.084 1.00 33.44 H new ATOM 0 HB2 ALA A 94 -1.869 -1.632 12.922 1.00 33.44 H new ATOM 0 HB3 ALA A 94 -0.676 -1.598 11.602 1.00 33.44 H new ATOM 1171 N VAL A 95 -0.431 2.098 11.623 1.00 63.34 N ATOM 1172 CA VAL A 95 0.536 2.956 10.987 1.00 12.03 C ATOM 1173 C VAL A 95 1.498 3.555 12.002 1.00 61.24 C ATOM 1174 O VAL A 95 1.087 4.184 12.976 1.00 73.11 O ATOM 1175 CB VAL A 95 -0.122 4.080 10.099 1.00 24.40 C ATOM 1176 CG1 VAL A 95 -1.065 4.972 10.900 1.00 72.30 C ATOM 1177 CG2 VAL A 95 0.948 4.919 9.400 1.00 15.31 C ATOM 0 H VAL A 95 -0.709 2.390 12.560 1.00 63.34 H new ATOM 0 HA VAL A 95 1.104 2.320 10.308 1.00 12.03 H new ATOM 0 HB VAL A 95 -0.721 3.575 9.341 1.00 24.40 H new ATOM 0 HG11 VAL A 95 -1.493 5.730 10.244 1.00 72.30 H new ATOM 0 HG12 VAL A 95 -1.865 4.366 11.325 1.00 72.30 H new ATOM 0 HG13 VAL A 95 -0.511 5.458 11.704 1.00 72.30 H new ATOM 0 HG21 VAL A 95 0.469 5.688 8.793 1.00 15.31 H new ATOM 0 HG22 VAL A 95 1.586 5.391 10.147 1.00 15.31 H new ATOM 0 HG23 VAL A 95 1.553 4.277 8.760 1.00 15.31 H new ATOM 1187 N GLU A 96 2.759 3.327 11.785 1.00 43.13 N ATOM 1188 CA GLU A 96 3.782 3.905 12.599 1.00 64.15 C ATOM 1189 C GLU A 96 4.421 5.009 11.813 1.00 5.21 C ATOM 1190 O GLU A 96 5.135 4.738 10.842 1.00 44.53 O ATOM 1191 CB GLU A 96 4.866 2.891 12.970 1.00 51.31 C ATOM 1192 CG GLU A 96 4.409 1.725 13.814 1.00 22.44 C ATOM 1193 CD GLU A 96 3.791 2.161 15.112 1.00 52.33 C ATOM 1194 OE1 GLU A 96 4.454 2.892 15.878 1.00 23.34 O ATOM 1195 OE2 GLU A 96 2.649 1.755 15.407 1.00 20.32 O ATOM 0 H GLU A 96 3.107 2.731 11.034 1.00 43.13 H new ATOM 0 HA GLU A 96 3.327 4.263 13.523 1.00 64.15 H new ATOM 0 HB2 GLU A 96 5.303 2.501 12.051 1.00 51.31 H new ATOM 0 HB3 GLU A 96 5.660 3.414 13.504 1.00 51.31 H new ATOM 0 HG2 GLU A 96 3.686 1.135 13.251 1.00 22.44 H new ATOM 0 HG3 GLU A 96 5.259 1.075 14.020 1.00 22.44 H new ATOM 1202 N PRO A 97 4.158 6.256 12.169 1.00 12.12 N ATOM 1203 CA PRO A 97 4.758 7.394 11.494 1.00 41.20 C ATOM 1204 C PRO A 97 6.272 7.406 11.663 1.00 33.32 C ATOM 1205 O PRO A 97 7.017 7.580 10.693 1.00 3.14 O ATOM 1206 CB PRO A 97 4.128 8.607 12.199 1.00 44.23 C ATOM 1207 CG PRO A 97 2.894 8.076 12.834 1.00 61.30 C ATOM 1208 CD PRO A 97 3.220 6.674 13.228 1.00 25.32 C ATOM 0 HA PRO A 97 4.580 7.380 10.419 1.00 41.20 H new ATOM 0 HB2 PRO A 97 4.805 9.029 12.942 1.00 44.23 H new ATOM 0 HB3 PRO A 97 3.898 9.402 11.489 1.00 44.23 H new ATOM 0 HG2 PRO A 97 2.612 8.672 13.702 1.00 61.30 H new ATOM 0 HG3 PRO A 97 2.053 8.103 12.141 1.00 61.30 H new ATOM 0 HD2 PRO A 97 3.676 6.626 14.217 1.00 25.32 H new ATOM 0 HD3 PRO A 97 2.332 6.043 13.256 1.00 25.32 H new ATOM 1216 N ASP A 98 6.727 7.177 12.883 1.00 12.21 N ATOM 1217 CA ASP A 98 8.144 7.231 13.174 1.00 52.33 C ATOM 1218 C ASP A 98 8.873 5.962 12.761 1.00 61.34 C ATOM 1219 O ASP A 98 9.997 6.019 12.281 1.00 2.34 O ATOM 1220 CB ASP A 98 8.421 7.560 14.640 1.00 24.14 C ATOM 1221 CG ASP A 98 9.906 7.688 14.911 1.00 30.11 C ATOM 1222 OD1 ASP A 98 10.506 8.699 14.469 1.00 4.44 O ATOM 1223 OD2 ASP A 98 10.497 6.779 15.538 1.00 33.41 O ATOM 0 H ASP A 98 6.136 6.953 13.683 1.00 12.21 H new ATOM 0 HA ASP A 98 8.539 8.047 12.569 1.00 52.33 H new ATOM 0 HB2 ASP A 98 7.920 8.491 14.906 1.00 24.14 H new ATOM 0 HB3 ASP A 98 8.001 6.780 15.274 1.00 24.14 H new ATOM 1228 N LYS A 99 8.226 4.817 12.912 1.00 23.21 N ATOM 1229 CA LYS A 99 8.889 3.553 12.593 1.00 14.54 C ATOM 1230 C LYS A 99 8.745 3.188 11.142 1.00 32.33 C ATOM 1231 O LYS A 99 9.350 2.214 10.673 1.00 22.40 O ATOM 1232 CB LYS A 99 8.368 2.424 13.443 1.00 11.41 C ATOM 1233 CG LYS A 99 8.594 2.654 14.899 1.00 10.22 C ATOM 1234 CD LYS A 99 8.306 1.423 15.684 1.00 64.41 C ATOM 1235 CE LYS A 99 8.648 1.625 17.138 1.00 72.42 C ATOM 1236 NZ LYS A 99 10.089 1.866 17.358 1.00 23.20 N ATOM 0 H LYS A 99 7.266 4.731 13.245 1.00 23.21 H new ATOM 0 HA LYS A 99 9.947 3.704 12.809 1.00 14.54 H new ATOM 0 HB2 LYS A 99 7.301 2.298 13.260 1.00 11.41 H new ATOM 0 HB3 LYS A 99 8.854 1.495 13.145 1.00 11.41 H new ATOM 0 HG2 LYS A 99 9.626 2.963 15.066 1.00 10.22 H new ATOM 0 HG3 LYS A 99 7.957 3.468 15.245 1.00 10.22 H new ATOM 0 HD2 LYS A 99 7.252 1.162 15.586 1.00 64.41 H new ATOM 0 HD3 LYS A 99 8.880 0.588 15.283 1.00 64.41 H new ATOM 0 HE2 LYS A 99 8.079 2.470 17.527 1.00 72.42 H new ATOM 0 HE3 LYS A 99 8.340 0.746 17.705 1.00 72.42 H new ATOM 0 HZ1 LYS A 99 10.324 1.680 18.354 1.00 23.20 H new ATOM 0 HZ2 LYS A 99 10.644 1.233 16.747 1.00 23.20 H new ATOM 0 HZ3 LYS A 99 10.315 2.855 17.128 1.00 23.20 H new ATOM 1250 N ASN A 100 7.946 3.979 10.442 1.00 54.45 N ATOM 1251 CA ASN A 100 7.612 3.760 9.043 1.00 35.12 C ATOM 1252 C ASN A 100 6.950 2.402 8.871 1.00 44.33 C ATOM 1253 O ASN A 100 7.573 1.439 8.485 1.00 65.40 O ATOM 1254 CB ASN A 100 8.832 3.910 8.104 1.00 14.44 C ATOM 1255 CG ASN A 100 8.468 3.749 6.636 1.00 55.35 C ATOM 1256 OD1 ASN A 100 8.462 2.657 6.099 1.00 13.54 O ATOM 1257 ND2 ASN A 100 8.190 4.839 5.979 1.00 42.21 N ATOM 0 H ASN A 100 7.503 4.808 10.839 1.00 54.45 H new ATOM 0 HA ASN A 100 6.908 4.540 8.752 1.00 35.12 H new ATOM 0 HB2 ASN A 100 9.284 4.890 8.256 1.00 14.44 H new ATOM 0 HB3 ASN A 100 9.584 3.167 8.371 1.00 14.44 H new ATOM 0 HD21 ASN A 100 7.959 4.791 4.987 1.00 42.21 H new ATOM 0 HD22 ASN A 100 8.203 5.740 6.457 1.00 42.21 H new ATOM 1264 N LEU A 101 5.719 2.320 9.261 1.00 21.11 N ATOM 1265 CA LEU A 101 4.976 1.090 9.138 1.00 12.20 C ATOM 1266 C LEU A 101 3.578 1.397 8.715 1.00 3.12 C ATOM 1267 O LEU A 101 2.971 2.309 9.247 1.00 33.52 O ATOM 1268 CB LEU A 101 4.921 0.368 10.485 1.00 41.33 C ATOM 1269 CG LEU A 101 4.146 -0.943 10.502 1.00 15.11 C ATOM 1270 CD1 LEU A 101 4.823 -1.968 9.642 1.00 51.24 C ATOM 1271 CD2 LEU A 101 3.957 -1.446 11.913 1.00 42.03 C ATOM 0 H LEU A 101 5.196 3.093 9.672 1.00 21.11 H new ATOM 0 HA LEU A 101 5.470 0.457 8.401 1.00 12.20 H new ATOM 0 HB2 LEU A 101 5.942 0.169 10.812 1.00 41.33 H new ATOM 0 HB3 LEU A 101 4.477 1.041 11.219 1.00 41.33 H new ATOM 0 HG LEU A 101 3.155 -0.758 10.087 1.00 15.11 H new ATOM 0 HD11 LEU A 101 4.254 -2.897 9.667 1.00 51.24 H new ATOM 0 HD12 LEU A 101 4.877 -1.604 8.616 1.00 51.24 H new ATOM 0 HD13 LEU A 101 5.831 -2.149 10.017 1.00 51.24 H new ATOM 0 HD21 LEU A 101 3.401 -2.383 11.894 1.00 42.03 H new ATOM 0 HD22 LEU A 101 4.931 -1.612 12.374 1.00 42.03 H new ATOM 0 HD23 LEU A 101 3.403 -0.707 12.492 1.00 42.03 H new ATOM 1283 N ILE A 102 3.069 0.665 7.770 1.00 41.34 N ATOM 1284 CA ILE A 102 1.707 0.842 7.364 1.00 73.11 C ATOM 1285 C ILE A 102 1.074 -0.497 6.981 1.00 14.21 C ATOM 1286 O ILE A 102 1.583 -1.242 6.137 1.00 41.15 O ATOM 1287 CB ILE A 102 1.562 1.898 6.237 1.00 13.41 C ATOM 1288 CG1 ILE A 102 0.091 2.063 5.809 1.00 10.33 C ATOM 1289 CG2 ILE A 102 2.459 1.554 5.058 1.00 65.00 C ATOM 1290 CD1 ILE A 102 -0.138 3.152 4.777 1.00 62.12 C ATOM 0 H ILE A 102 3.577 -0.061 7.265 1.00 41.34 H new ATOM 0 HA ILE A 102 1.159 1.235 8.220 1.00 73.11 H new ATOM 0 HB ILE A 102 1.889 2.861 6.630 1.00 13.41 H new ATOM 0 HG12 ILE A 102 -0.267 1.115 5.407 1.00 10.33 H new ATOM 0 HG13 ILE A 102 -0.510 2.282 6.691 1.00 10.33 H new ATOM 0 HG21 ILE A 102 2.341 2.308 4.279 1.00 65.00 H new ATOM 0 HG22 ILE A 102 3.498 1.530 5.386 1.00 65.00 H new ATOM 0 HG23 ILE A 102 2.181 0.577 4.662 1.00 65.00 H new ATOM 0 HD11 ILE A 102 -1.199 3.202 4.531 1.00 62.12 H new ATOM 0 HD12 ILE A 102 0.187 4.111 5.182 1.00 62.12 H new ATOM 0 HD13 ILE A 102 0.433 2.926 3.877 1.00 62.12 H new ATOM 1302 N THR A 103 0.012 -0.812 7.652 1.00 34.40 N ATOM 1303 CA THR A 103 -0.718 -2.026 7.421 1.00 43.15 C ATOM 1304 C THR A 103 -1.989 -1.745 6.588 1.00 23.11 C ATOM 1305 O THR A 103 -2.822 -0.910 6.976 1.00 14.42 O ATOM 1306 CB THR A 103 -1.117 -2.629 8.771 1.00 30.40 C ATOM 1307 OG1 THR A 103 0.053 -2.723 9.595 1.00 12.24 O ATOM 1308 CG2 THR A 103 -1.705 -4.009 8.588 1.00 54.15 C ATOM 0 H THR A 103 -0.382 -0.226 8.388 1.00 34.40 H new ATOM 0 HA THR A 103 -0.087 -2.722 6.868 1.00 43.15 H new ATOM 0 HB THR A 103 -1.867 -1.991 9.238 1.00 30.40 H new ATOM 0 HG1 THR A 103 -0.102 -3.374 10.310 1.00 12.24 H new ATOM 0 HG21 THR A 103 -1.981 -4.419 9.560 1.00 54.15 H new ATOM 0 HG22 THR A 103 -2.590 -3.946 7.955 1.00 54.15 H new ATOM 0 HG23 THR A 103 -0.968 -4.659 8.117 1.00 54.15 H new ATOM 1316 N PHE A 104 -2.125 -2.445 5.469 1.00 64.34 N ATOM 1317 CA PHE A 104 -3.271 -2.312 4.582 1.00 33.45 C ATOM 1318 C PHE A 104 -4.200 -3.497 4.788 1.00 13.23 C ATOM 1319 O PHE A 104 -3.762 -4.653 4.738 1.00 0.44 O ATOM 1320 CB PHE A 104 -2.821 -2.307 3.103 1.00 54.02 C ATOM 1321 CG PHE A 104 -1.903 -1.194 2.714 1.00 24.14 C ATOM 1322 CD1 PHE A 104 -2.397 0.064 2.424 1.00 64.11 C ATOM 1323 CD2 PHE A 104 -0.546 -1.415 2.610 1.00 21.13 C ATOM 1324 CE1 PHE A 104 -1.549 1.081 2.039 1.00 23.33 C ATOM 1325 CE2 PHE A 104 0.303 -0.407 2.230 1.00 12.11 C ATOM 1326 CZ PHE A 104 -0.193 0.843 1.943 1.00 33.25 C ATOM 0 H PHE A 104 -1.437 -3.127 5.150 1.00 64.34 H new ATOM 0 HA PHE A 104 -3.776 -1.374 4.811 1.00 33.45 H new ATOM 0 HB2 PHE A 104 -2.326 -3.254 2.889 1.00 54.02 H new ATOM 0 HB3 PHE A 104 -3.708 -2.260 2.472 1.00 54.02 H new ATOM 0 HD1 PHE A 104 -3.458 0.252 2.500 1.00 64.11 H new ATOM 0 HD2 PHE A 104 -0.147 -2.394 2.830 1.00 21.13 H new ATOM 0 HE1 PHE A 104 -1.945 2.060 1.813 1.00 23.33 H new ATOM 0 HE2 PHE A 104 1.364 -0.596 2.156 1.00 12.11 H new ATOM 0 HZ PHE A 104 0.476 1.636 1.643 1.00 33.25 H new ATOM 1336 N ARG A 105 -5.445 -3.223 5.044 1.00 61.04 N ATOM 1337 CA ARG A 105 -6.442 -4.264 5.187 1.00 44.51 C ATOM 1338 C ARG A 105 -7.446 -4.013 4.082 1.00 75.30 C ATOM 1339 O ARG A 105 -8.064 -2.941 4.049 1.00 51.14 O ATOM 1340 CB ARG A 105 -7.103 -4.123 6.595 1.00 53.33 C ATOM 1341 CG ARG A 105 -7.974 -5.304 7.121 1.00 2.32 C ATOM 1342 CD ARG A 105 -9.260 -5.576 6.333 1.00 52.12 C ATOM 1343 NE ARG A 105 -10.056 -6.647 6.987 1.00 51.20 N ATOM 1344 CZ ARG A 105 -11.122 -7.302 6.463 1.00 2.31 C ATOM 1345 NH1 ARG A 105 -11.503 -7.100 5.220 1.00 11.15 N ATOM 1346 NH2 ARG A 105 -11.767 -8.185 7.197 1.00 61.13 N ATOM 0 H ARG A 105 -5.806 -2.276 5.161 1.00 61.04 H new ATOM 0 HA ARG A 105 -6.031 -5.271 5.112 1.00 44.51 H new ATOM 0 HB2 ARG A 105 -6.308 -3.947 7.320 1.00 53.33 H new ATOM 0 HB3 ARG A 105 -7.727 -3.229 6.582 1.00 53.33 H new ATOM 0 HG2 ARG A 105 -7.368 -6.210 7.117 1.00 2.32 H new ATOM 0 HG3 ARG A 105 -8.240 -5.103 8.159 1.00 2.32 H new ATOM 0 HD2 ARG A 105 -9.853 -4.664 6.267 1.00 52.12 H new ATOM 0 HD3 ARG A 105 -9.013 -5.870 5.313 1.00 52.12 H new ATOM 0 HE ARG A 105 -9.771 -6.918 7.928 1.00 51.20 H new ATOM 0 HH11 ARG A 105 -10.994 -6.441 4.631 1.00 11.15 H new ATOM 0 HH12 ARG A 105 -12.307 -7.603 4.845 1.00 11.15 H new ATOM 0 HH21 ARG A 105 -11.464 -8.372 8.153 1.00 61.13 H new ATOM 0 HH22 ARG A 105 -12.570 -8.681 6.810 1.00 61.13 H new ATOM 1360 N VAL A 106 -7.601 -4.960 3.163 1.00 3.20 N ATOM 1361 CA VAL A 106 -8.535 -4.756 2.072 1.00 60.41 C ATOM 1362 C VAL A 106 -9.936 -4.912 2.639 1.00 51.11 C ATOM 1363 O VAL A 106 -10.196 -5.840 3.372 1.00 74.32 O ATOM 1364 CB VAL A 106 -8.304 -5.753 0.867 1.00 72.45 C ATOM 1365 CG1 VAL A 106 -8.664 -7.165 1.222 1.00 53.11 C ATOM 1366 CG2 VAL A 106 -9.044 -5.288 -0.384 1.00 31.40 C ATOM 0 H VAL A 106 -7.105 -5.851 3.153 1.00 3.20 H new ATOM 0 HA VAL A 106 -8.384 -3.759 1.658 1.00 60.41 H new ATOM 0 HB VAL A 106 -7.236 -5.745 0.647 1.00 72.45 H new ATOM 0 HG11 VAL A 106 -8.488 -7.812 0.363 1.00 53.11 H new ATOM 0 HG12 VAL A 106 -8.050 -7.498 2.059 1.00 53.11 H new ATOM 0 HG13 VAL A 106 -9.716 -7.213 1.503 1.00 53.11 H new ATOM 0 HG21 VAL A 106 -8.866 -5.994 -1.195 1.00 31.40 H new ATOM 0 HG22 VAL A 106 -10.113 -5.236 -0.176 1.00 31.40 H new ATOM 0 HG23 VAL A 106 -8.683 -4.302 -0.675 1.00 31.40 H new ATOM 1376 N ILE A 107 -10.803 -3.998 2.370 1.00 13.32 N ATOM 1377 CA ILE A 107 -12.141 -4.081 2.937 1.00 71.41 C ATOM 1378 C ILE A 107 -13.137 -4.645 1.944 1.00 14.34 C ATOM 1379 O ILE A 107 -13.983 -5.467 2.295 1.00 23.02 O ATOM 1380 CB ILE A 107 -12.617 -2.724 3.482 1.00 12.24 C ATOM 1381 CG1 ILE A 107 -12.534 -1.685 2.388 1.00 51.10 C ATOM 1382 CG2 ILE A 107 -11.783 -2.320 4.696 1.00 31.24 C ATOM 1383 CD1 ILE A 107 -12.900 -0.316 2.801 1.00 60.42 C ATOM 0 H ILE A 107 -10.632 -3.189 1.773 1.00 13.32 H new ATOM 0 HA ILE A 107 -12.083 -4.772 3.778 1.00 71.41 H new ATOM 0 HB ILE A 107 -13.655 -2.804 3.805 1.00 12.24 H new ATOM 0 HG12 ILE A 107 -11.517 -1.671 1.997 1.00 51.10 H new ATOM 0 HG13 ILE A 107 -13.186 -1.988 1.569 1.00 51.10 H new ATOM 0 HG21 ILE A 107 -12.130 -1.358 5.072 1.00 31.24 H new ATOM 0 HG22 ILE A 107 -11.888 -3.074 5.476 1.00 31.24 H new ATOM 0 HG23 ILE A 107 -10.735 -2.240 4.407 1.00 31.24 H new ATOM 0 HD11 ILE A 107 -12.810 0.358 1.949 1.00 60.42 H new ATOM 0 HD12 ILE A 107 -13.928 -0.308 3.163 1.00 60.42 H new ATOM 0 HD13 ILE A 107 -12.233 0.014 3.597 1.00 60.42 H new ATOM 1395 N GLU A 108 -13.015 -4.223 0.713 1.00 75.33 N ATOM 1396 CA GLU A 108 -13.884 -4.648 -0.338 1.00 24.10 C ATOM 1397 C GLU A 108 -13.067 -4.456 -1.626 1.00 32.21 C ATOM 1398 O GLU A 108 -12.131 -3.650 -1.635 1.00 2.03 O ATOM 1399 CB GLU A 108 -15.152 -3.742 -0.300 1.00 30.24 C ATOM 1400 CG GLU A 108 -16.420 -4.280 -0.980 1.00 31.31 C ATOM 1401 CD GLU A 108 -16.273 -4.589 -2.430 1.00 11.01 C ATOM 1402 OE1 GLU A 108 -16.427 -3.675 -3.271 1.00 1.11 O ATOM 1403 OE2 GLU A 108 -16.009 -5.760 -2.761 1.00 20.14 O ATOM 0 H GLU A 108 -12.296 -3.564 0.414 1.00 75.33 H new ATOM 0 HA GLU A 108 -14.220 -5.682 -0.258 1.00 24.10 H new ATOM 0 HB2 GLU A 108 -15.390 -3.537 0.744 1.00 30.24 H new ATOM 0 HB3 GLU A 108 -14.899 -2.788 -0.763 1.00 30.24 H new ATOM 0 HG2 GLU A 108 -16.737 -5.185 -0.461 1.00 31.31 H new ATOM 0 HG3 GLU A 108 -17.218 -3.547 -0.859 1.00 31.31 H new ATOM 1410 N GLY A 109 -13.366 -5.182 -2.660 1.00 72.11 N ATOM 1411 CA GLY A 109 -12.607 -5.071 -3.872 1.00 64.25 C ATOM 1412 C GLY A 109 -12.376 -6.410 -4.512 1.00 14.22 C ATOM 1413 O GLY A 109 -12.862 -7.429 -4.014 1.00 22.43 O ATOM 0 H GLY A 109 -14.129 -5.858 -2.691 1.00 72.11 H new ATOM 0 HA2 GLY A 109 -13.132 -4.420 -4.571 1.00 64.25 H new ATOM 0 HA3 GLY A 109 -11.647 -4.600 -3.658 1.00 64.25 H new ATOM 1417 N ASP A 110 -11.606 -6.409 -5.601 1.00 50.30 N ATOM 1418 CA ASP A 110 -11.289 -7.617 -6.386 1.00 32.41 C ATOM 1419 C ASP A 110 -10.694 -8.696 -5.506 1.00 22.13 C ATOM 1420 O ASP A 110 -11.113 -9.842 -5.538 1.00 62.13 O ATOM 1421 CB ASP A 110 -10.277 -7.286 -7.496 1.00 31.31 C ATOM 1422 CG ASP A 110 -10.746 -6.216 -8.449 1.00 72.51 C ATOM 1423 OD1 ASP A 110 -11.405 -6.547 -9.468 1.00 30.15 O ATOM 1424 OD2 ASP A 110 -10.465 -5.017 -8.198 1.00 70.24 O ATOM 0 H ASP A 110 -11.176 -5.562 -5.973 1.00 50.30 H new ATOM 0 HA ASP A 110 -12.221 -7.975 -6.823 1.00 32.41 H new ATOM 0 HB2 ASP A 110 -9.341 -6.966 -7.038 1.00 31.31 H new ATOM 0 HB3 ASP A 110 -10.062 -8.193 -8.061 1.00 31.31 H new ATOM 1429 N LEU A 111 -9.736 -8.292 -4.685 1.00 5.13 N ATOM 1430 CA LEU A 111 -8.997 -9.193 -3.794 1.00 31.24 C ATOM 1431 C LEU A 111 -9.917 -9.921 -2.807 1.00 43.45 C ATOM 1432 O LEU A 111 -9.585 -10.990 -2.319 1.00 15.30 O ATOM 1433 CB LEU A 111 -7.915 -8.415 -3.040 1.00 1.04 C ATOM 1434 CG LEU A 111 -6.861 -7.715 -3.914 1.00 50.20 C ATOM 1435 CD1 LEU A 111 -5.895 -6.921 -3.054 1.00 44.25 C ATOM 1436 CD2 LEU A 111 -6.101 -8.728 -4.767 1.00 22.33 C ATOM 0 H LEU A 111 -9.442 -7.318 -4.613 1.00 5.13 H new ATOM 0 HA LEU A 111 -8.529 -9.956 -4.417 1.00 31.24 H new ATOM 0 HB2 LEU A 111 -8.401 -7.663 -2.419 1.00 1.04 H new ATOM 0 HB3 LEU A 111 -7.403 -9.102 -2.367 1.00 1.04 H new ATOM 0 HG LEU A 111 -7.380 -7.026 -4.581 1.00 50.20 H new ATOM 0 HD11 LEU A 111 -5.157 -6.433 -3.691 1.00 44.25 H new ATOM 0 HD12 LEU A 111 -6.445 -6.166 -2.492 1.00 44.25 H new ATOM 0 HD13 LEU A 111 -5.389 -7.593 -2.361 1.00 44.25 H new ATOM 0 HD21 LEU A 111 -5.361 -8.209 -5.376 1.00 22.33 H new ATOM 0 HD22 LEU A 111 -5.598 -9.445 -4.118 1.00 22.33 H new ATOM 0 HD23 LEU A 111 -6.801 -9.255 -5.416 1.00 22.33 H new ATOM 1448 N MET A 112 -11.069 -9.342 -2.534 1.00 75.32 N ATOM 1449 CA MET A 112 -12.025 -9.927 -1.594 1.00 11.14 C ATOM 1450 C MET A 112 -12.870 -11.030 -2.243 1.00 63.41 C ATOM 1451 O MET A 112 -13.691 -11.662 -1.583 1.00 71.32 O ATOM 1452 CB MET A 112 -12.910 -8.864 -0.949 1.00 4.20 C ATOM 1453 CG MET A 112 -12.217 -7.896 0.029 1.00 24.14 C ATOM 1454 SD MET A 112 -11.945 -8.532 1.732 1.00 74.02 S ATOM 1455 CE MET A 112 -10.765 -9.862 1.533 1.00 44.14 C ATOM 0 H MET A 112 -11.374 -8.461 -2.949 1.00 75.32 H new ATOM 0 HA MET A 112 -11.437 -10.391 -0.802 1.00 11.14 H new ATOM 0 HB2 MET A 112 -13.371 -8.276 -1.743 1.00 4.20 H new ATOM 0 HB3 MET A 112 -13.716 -9.368 -0.417 1.00 4.20 H new ATOM 0 HG2 MET A 112 -11.251 -7.615 -0.391 1.00 24.14 H new ATOM 0 HG3 MET A 112 -12.814 -6.986 0.093 1.00 24.14 H new ATOM 0 HE1 MET A 112 -10.098 -9.888 2.395 1.00 44.14 H new ATOM 0 HE2 MET A 112 -11.296 -10.811 1.456 1.00 44.14 H new ATOM 0 HE3 MET A 112 -10.181 -9.698 0.627 1.00 44.14 H new ATOM 1465 N LYS A 113 -12.711 -11.209 -3.535 1.00 63.35 N ATOM 1466 CA LYS A 113 -13.373 -12.297 -4.243 1.00 60.01 C ATOM 1467 C LYS A 113 -12.418 -13.457 -4.379 1.00 23.51 C ATOM 1468 O LYS A 113 -12.806 -14.587 -4.704 1.00 44.14 O ATOM 1469 CB LYS A 113 -13.835 -11.838 -5.624 1.00 50.13 C ATOM 1470 CG LYS A 113 -14.895 -10.760 -5.579 1.00 24.31 C ATOM 1471 CD LYS A 113 -16.162 -11.280 -4.936 1.00 33.11 C ATOM 1472 CE LYS A 113 -17.220 -10.209 -4.866 1.00 22.24 C ATOM 1473 NZ LYS A 113 -18.462 -10.701 -4.226 1.00 20.42 N ATOM 0 H LYS A 113 -12.128 -10.616 -4.125 1.00 63.35 H new ATOM 0 HA LYS A 113 -14.250 -12.608 -3.675 1.00 60.01 H new ATOM 0 HB2 LYS A 113 -12.975 -11.467 -6.181 1.00 50.13 H new ATOM 0 HB3 LYS A 113 -14.224 -12.696 -6.172 1.00 50.13 H new ATOM 0 HG2 LYS A 113 -14.524 -9.901 -5.019 1.00 24.31 H new ATOM 0 HG3 LYS A 113 -15.110 -10.413 -6.590 1.00 24.31 H new ATOM 0 HD2 LYS A 113 -16.539 -12.130 -5.505 1.00 33.11 H new ATOM 0 HD3 LYS A 113 -15.941 -11.642 -3.932 1.00 33.11 H new ATOM 0 HE2 LYS A 113 -16.837 -9.356 -4.306 1.00 22.24 H new ATOM 0 HE3 LYS A 113 -17.446 -9.855 -5.872 1.00 22.24 H new ATOM 0 HZ1 LYS A 113 -19.165 -9.935 -4.197 1.00 20.42 H new ATOM 0 HZ2 LYS A 113 -18.842 -11.499 -4.774 1.00 20.42 H new ATOM 0 HZ3 LYS A 113 -18.252 -11.015 -3.257 1.00 20.42 H new ATOM 1487 N GLU A 114 -11.179 -13.172 -4.109 1.00 63.24 N ATOM 1488 CA GLU A 114 -10.128 -14.139 -4.215 1.00 2.23 C ATOM 1489 C GLU A 114 -9.887 -14.699 -2.812 1.00 24.22 C ATOM 1490 O GLU A 114 -9.785 -15.913 -2.590 1.00 23.11 O ATOM 1491 CB GLU A 114 -8.850 -13.433 -4.675 1.00 54.10 C ATOM 1492 CG GLU A 114 -9.030 -12.422 -5.807 1.00 41.02 C ATOM 1493 CD GLU A 114 -9.479 -12.994 -7.125 1.00 32.22 C ATOM 1494 OE1 GLU A 114 -10.691 -13.183 -7.329 1.00 44.31 O ATOM 1495 OE2 GLU A 114 -8.622 -13.201 -8.004 1.00 72.54 O ATOM 0 H GLU A 114 -10.866 -12.250 -3.805 1.00 63.24 H new ATOM 0 HA GLU A 114 -10.392 -14.926 -4.921 1.00 2.23 H new ATOM 0 HB2 GLU A 114 -8.410 -12.920 -3.819 1.00 54.10 H new ATOM 0 HB3 GLU A 114 -8.133 -14.189 -4.996 1.00 54.10 H new ATOM 0 HG2 GLU A 114 -9.756 -11.674 -5.490 1.00 41.02 H new ATOM 0 HG3 GLU A 114 -8.084 -11.903 -5.960 1.00 41.02 H new ATOM 1502 N TYR A 115 -9.816 -13.784 -1.861 1.00 44.31 N ATOM 1503 CA TYR A 115 -9.552 -14.100 -0.485 1.00 32.30 C ATOM 1504 C TYR A 115 -10.661 -13.500 0.344 1.00 22.34 C ATOM 1505 O TYR A 115 -11.280 -12.544 -0.067 1.00 74.25 O ATOM 1506 CB TYR A 115 -8.213 -13.467 -0.054 1.00 3.31 C ATOM 1507 CG TYR A 115 -7.088 -13.737 -1.019 1.00 12.14 C ATOM 1508 CD1 TYR A 115 -6.355 -14.913 -0.978 1.00 54.51 C ATOM 1509 CD2 TYR A 115 -6.785 -12.812 -2.007 1.00 13.24 C ATOM 1510 CE1 TYR A 115 -5.364 -15.153 -1.889 1.00 64.35 C ATOM 1511 CE2 TYR A 115 -5.782 -13.051 -2.916 1.00 62.32 C ATOM 1512 CZ TYR A 115 -5.080 -14.228 -2.847 1.00 5.33 C ATOM 1513 OH TYR A 115 -4.101 -14.495 -3.752 1.00 11.44 O ATOM 0 H TYR A 115 -9.944 -12.787 -2.035 1.00 44.31 H new ATOM 0 HA TYR A 115 -9.499 -15.180 -0.349 1.00 32.30 H new ATOM 0 HB2 TYR A 115 -8.344 -12.390 0.048 1.00 3.31 H new ATOM 0 HB3 TYR A 115 -7.938 -13.849 0.929 1.00 3.31 H new ATOM 0 HD1 TYR A 115 -6.569 -15.649 -0.217 1.00 54.51 H new ATOM 0 HD2 TYR A 115 -7.345 -11.890 -2.063 1.00 13.24 H new ATOM 0 HE1 TYR A 115 -4.806 -16.077 -1.849 1.00 64.35 H new ATOM 0 HE2 TYR A 115 -5.549 -12.320 -3.676 1.00 62.32 H new ATOM 0 HH TYR A 115 -4.151 -13.850 -4.488 1.00 11.44 H new ATOM 1523 N LYS A 116 -10.898 -14.043 1.499 1.00 5.01 N ATOM 1524 CA LYS A 116 -11.946 -13.535 2.387 1.00 73.53 C ATOM 1525 C LYS A 116 -11.352 -12.664 3.474 1.00 23.41 C ATOM 1526 O LYS A 116 -12.046 -12.181 4.359 1.00 14.53 O ATOM 1527 CB LYS A 116 -12.762 -14.688 2.958 1.00 12.10 C ATOM 1528 CG LYS A 116 -11.923 -15.781 3.577 1.00 32.44 C ATOM 1529 CD LYS A 116 -12.748 -17.000 3.938 1.00 30.24 C ATOM 1530 CE LYS A 116 -13.807 -16.702 4.976 1.00 42.44 C ATOM 1531 NZ LYS A 116 -14.531 -17.927 5.364 1.00 51.30 N ATOM 0 H LYS A 116 -10.386 -14.844 1.867 1.00 5.01 H new ATOM 0 HA LYS A 116 -12.625 -12.908 1.810 1.00 73.53 H new ATOM 0 HB2 LYS A 116 -13.447 -14.298 3.711 1.00 12.10 H new ATOM 0 HB3 LYS A 116 -13.372 -15.117 2.164 1.00 12.10 H new ATOM 0 HG2 LYS A 116 -11.135 -16.070 2.881 1.00 32.44 H new ATOM 0 HG3 LYS A 116 -11.433 -15.398 4.472 1.00 32.44 H new ATOM 0 HD2 LYS A 116 -13.226 -17.389 3.039 1.00 30.24 H new ATOM 0 HD3 LYS A 116 -12.088 -17.782 4.313 1.00 30.24 H new ATOM 0 HE2 LYS A 116 -13.343 -16.256 5.856 1.00 42.44 H new ATOM 0 HE3 LYS A 116 -14.511 -15.969 4.581 1.00 42.44 H new ATOM 0 HZ1 LYS A 116 -15.251 -17.693 6.077 1.00 51.30 H new ATOM 0 HZ2 LYS A 116 -14.992 -18.337 4.527 1.00 51.30 H new ATOM 0 HZ3 LYS A 116 -13.860 -18.615 5.762 1.00 51.30 H new ATOM 1545 N SER A 117 -10.065 -12.470 3.376 1.00 12.22 N ATOM 1546 CA SER A 117 -9.311 -11.632 4.258 1.00 11.41 C ATOM 1547 C SER A 117 -7.942 -11.473 3.646 1.00 60.35 C ATOM 1548 O SER A 117 -7.304 -12.465 3.333 1.00 11.51 O ATOM 1549 CB SER A 117 -9.225 -12.280 5.642 1.00 64.23 C ATOM 1550 OG SER A 117 -8.485 -11.497 6.569 1.00 12.33 O ATOM 0 H SER A 117 -9.495 -12.909 2.652 1.00 12.22 H new ATOM 0 HA SER A 117 -9.783 -10.658 4.385 1.00 11.41 H new ATOM 0 HB2 SER A 117 -10.232 -12.438 6.028 1.00 64.23 H new ATOM 0 HB3 SER A 117 -8.761 -13.262 5.551 1.00 64.23 H new ATOM 0 HG SER A 117 -8.461 -11.953 7.436 1.00 12.33 H new ATOM 1556 N PHE A 118 -7.531 -10.247 3.418 1.00 70.13 N ATOM 1557 CA PHE A 118 -6.231 -9.964 2.840 1.00 20.44 C ATOM 1558 C PHE A 118 -5.627 -8.800 3.584 1.00 70.02 C ATOM 1559 O PHE A 118 -6.140 -7.668 3.531 1.00 62.33 O ATOM 1560 CB PHE A 118 -6.363 -9.651 1.333 1.00 60.23 C ATOM 1561 CG PHE A 118 -5.078 -9.395 0.597 1.00 70.24 C ATOM 1562 CD1 PHE A 118 -4.261 -10.441 0.217 1.00 43.25 C ATOM 1563 CD2 PHE A 118 -4.704 -8.107 0.263 1.00 15.33 C ATOM 1564 CE1 PHE A 118 -3.096 -10.206 -0.477 1.00 65.34 C ATOM 1565 CE2 PHE A 118 -3.538 -7.870 -0.430 1.00 30.41 C ATOM 1566 CZ PHE A 118 -2.736 -8.917 -0.801 1.00 52.33 C ATOM 0 H PHE A 118 -8.085 -9.416 3.627 1.00 70.13 H new ATOM 0 HA PHE A 118 -5.582 -10.835 2.933 1.00 20.44 H new ATOM 0 HB2 PHE A 118 -6.873 -10.486 0.852 1.00 60.23 H new ATOM 0 HB3 PHE A 118 -7.004 -8.777 1.219 1.00 60.23 H new ATOM 0 HD1 PHE A 118 -4.539 -11.454 0.467 1.00 43.25 H new ATOM 0 HD2 PHE A 118 -5.333 -7.277 0.549 1.00 15.33 H new ATOM 0 HE1 PHE A 118 -2.464 -11.032 -0.767 1.00 65.34 H new ATOM 0 HE2 PHE A 118 -3.256 -6.858 -0.681 1.00 30.41 H new ATOM 0 HZ PHE A 118 -1.823 -8.732 -1.347 1.00 52.33 H new ATOM 1576 N LEU A 119 -4.593 -9.080 4.303 1.00 20.14 N ATOM 1577 CA LEU A 119 -3.915 -8.103 5.087 1.00 33.41 C ATOM 1578 C LEU A 119 -2.477 -8.052 4.628 1.00 64.54 C ATOM 1579 O LEU A 119 -1.829 -9.084 4.527 1.00 1.44 O ATOM 1580 CB LEU A 119 -3.958 -8.532 6.558 1.00 14.41 C ATOM 1581 CG LEU A 119 -3.369 -7.564 7.576 1.00 33.13 C ATOM 1582 CD1 LEU A 119 -4.205 -6.302 7.660 1.00 20.24 C ATOM 1583 CD2 LEU A 119 -3.244 -8.225 8.934 1.00 2.30 C ATOM 0 H LEU A 119 -4.187 -10.014 4.364 1.00 20.14 H new ATOM 0 HA LEU A 119 -4.385 -7.126 4.977 1.00 33.41 H new ATOM 0 HB2 LEU A 119 -4.998 -8.716 6.827 1.00 14.41 H new ATOM 0 HB3 LEU A 119 -3.432 -9.482 6.650 1.00 14.41 H new ATOM 0 HG LEU A 119 -2.369 -7.284 7.245 1.00 33.13 H new ATOM 0 HD11 LEU A 119 -3.767 -5.624 8.393 1.00 20.24 H new ATOM 0 HD12 LEU A 119 -4.229 -5.816 6.685 1.00 20.24 H new ATOM 0 HD13 LEU A 119 -5.220 -6.558 7.963 1.00 20.24 H new ATOM 0 HD21 LEU A 119 -2.821 -7.516 9.646 1.00 2.30 H new ATOM 0 HD22 LEU A 119 -4.229 -8.540 9.277 1.00 2.30 H new ATOM 0 HD23 LEU A 119 -2.591 -9.095 8.857 1.00 2.30 H new ATOM 1595 N LEU A 120 -1.982 -6.891 4.346 1.00 11.45 N ATOM 1596 CA LEU A 120 -0.608 -6.763 3.935 1.00 5.53 C ATOM 1597 C LEU A 120 0.036 -5.614 4.648 1.00 45.24 C ATOM 1598 O LEU A 120 -0.508 -4.515 4.693 1.00 42.11 O ATOM 1599 CB LEU A 120 -0.424 -6.635 2.396 1.00 0.03 C ATOM 1600 CG LEU A 120 -1.016 -5.404 1.680 1.00 33.32 C ATOM 1601 CD1 LEU A 120 -0.544 -5.371 0.243 1.00 44.10 C ATOM 1602 CD2 LEU A 120 -2.536 -5.417 1.707 1.00 43.11 C ATOM 0 H LEU A 120 -2.502 -6.014 4.390 1.00 11.45 H new ATOM 0 HA LEU A 120 -0.112 -7.693 4.214 1.00 5.53 H new ATOM 0 HB2 LEU A 120 0.646 -6.656 2.188 1.00 0.03 H new ATOM 0 HB3 LEU A 120 -0.855 -7.524 1.936 1.00 0.03 H new ATOM 0 HG LEU A 120 -0.672 -4.516 2.210 1.00 33.32 H new ATOM 0 HD11 LEU A 120 -0.965 -4.500 -0.258 1.00 44.10 H new ATOM 0 HD12 LEU A 120 0.544 -5.313 0.219 1.00 44.10 H new ATOM 0 HD13 LEU A 120 -0.871 -6.277 -0.268 1.00 44.10 H new ATOM 0 HD21 LEU A 120 -2.917 -4.534 1.193 1.00 43.11 H new ATOM 0 HD22 LEU A 120 -2.901 -6.314 1.207 1.00 43.11 H new ATOM 0 HD23 LEU A 120 -2.882 -5.412 2.741 1.00 43.11 H new ATOM 1614 N THR A 121 1.154 -5.861 5.231 1.00 51.21 N ATOM 1615 CA THR A 121 1.841 -4.842 5.940 1.00 21.15 C ATOM 1616 C THR A 121 3.160 -4.547 5.264 1.00 15.25 C ATOM 1617 O THR A 121 3.911 -5.475 4.933 1.00 41.20 O ATOM 1618 CB THR A 121 2.104 -5.284 7.374 1.00 24.22 C ATOM 1619 OG1 THR A 121 0.879 -5.741 7.946 1.00 51.01 O ATOM 1620 CG2 THR A 121 2.619 -4.120 8.182 1.00 60.15 C ATOM 0 H THR A 121 1.617 -6.770 5.231 1.00 51.21 H new ATOM 0 HA THR A 121 1.222 -3.945 5.946 1.00 21.15 H new ATOM 0 HB THR A 121 2.846 -6.082 7.379 1.00 24.22 H new ATOM 0 HG1 THR A 121 1.037 -6.030 8.869 1.00 51.01 H new ATOM 0 HG21 THR A 121 2.805 -4.442 9.206 1.00 60.15 H new ATOM 0 HG22 THR A 121 3.547 -3.754 7.742 1.00 60.15 H new ATOM 0 HG23 THR A 121 1.878 -3.321 8.182 1.00 60.15 H new ATOM 1628 N ILE A 122 3.437 -3.285 5.039 1.00 71.32 N ATOM 1629 CA ILE A 122 4.692 -2.901 4.473 1.00 23.14 C ATOM 1630 C ILE A 122 5.443 -2.028 5.441 1.00 62.04 C ATOM 1631 O ILE A 122 4.847 -1.209 6.166 1.00 72.45 O ATOM 1632 CB ILE A 122 4.572 -2.170 3.104 1.00 14.12 C ATOM 1633 CG1 ILE A 122 3.819 -0.856 3.221 1.00 42.41 C ATOM 1634 CG2 ILE A 122 3.895 -3.058 2.094 1.00 24.32 C ATOM 1635 CD1 ILE A 122 3.787 -0.047 1.927 1.00 54.14 C ATOM 0 H ILE A 122 2.804 -2.511 5.242 1.00 71.32 H new ATOM 0 HA ILE A 122 5.233 -3.828 4.283 1.00 23.14 H new ATOM 0 HB ILE A 122 5.585 -1.943 2.771 1.00 14.12 H new ATOM 0 HG12 ILE A 122 2.796 -1.061 3.536 1.00 42.41 H new ATOM 0 HG13 ILE A 122 4.279 -0.253 4.004 1.00 42.41 H new ATOM 0 HG21 ILE A 122 3.818 -2.533 1.142 1.00 24.32 H new ATOM 0 HG22 ILE A 122 4.479 -3.968 1.961 1.00 24.32 H new ATOM 0 HG23 ILE A 122 2.897 -3.316 2.448 1.00 24.32 H new ATOM 0 HD11 ILE A 122 3.232 0.877 2.089 1.00 54.14 H new ATOM 0 HD12 ILE A 122 4.806 0.190 1.621 1.00 54.14 H new ATOM 0 HD13 ILE A 122 3.300 -0.630 1.145 1.00 54.14 H new ATOM 1647 N GLN A 123 6.713 -2.228 5.489 1.00 64.43 N ATOM 1648 CA GLN A 123 7.572 -1.431 6.295 1.00 74.22 C ATOM 1649 C GLN A 123 8.848 -1.226 5.541 1.00 44.14 C ATOM 1650 O GLN A 123 9.454 -2.199 5.041 1.00 71.23 O ATOM 1651 CB GLN A 123 7.810 -2.091 7.657 1.00 13.31 C ATOM 1652 CG GLN A 123 8.672 -1.279 8.612 1.00 21.34 C ATOM 1653 CD GLN A 123 8.651 -1.827 10.016 1.00 71.53 C ATOM 1654 OE1 GLN A 123 8.489 -3.030 10.226 1.00 2.51 O ATOM 1655 NE2 GLN A 123 8.783 -0.955 10.990 1.00 35.51 N ATOM 0 H GLN A 123 7.192 -2.959 4.963 1.00 64.43 H new ATOM 0 HA GLN A 123 7.114 -0.463 6.501 1.00 74.22 H new ATOM 0 HB2 GLN A 123 6.845 -2.278 8.129 1.00 13.31 H new ATOM 0 HB3 GLN A 123 8.281 -3.061 7.499 1.00 13.31 H new ATOM 0 HG2 GLN A 123 9.699 -1.264 8.246 1.00 21.34 H new ATOM 0 HG3 GLN A 123 8.323 -0.247 8.623 1.00 21.34 H new ATOM 0 HE21 GLN A 123 8.916 0.033 10.775 1.00 35.51 H new ATOM 0 HE22 GLN A 123 8.753 -1.266 11.961 1.00 35.51 H new ATOM 1664 N VAL A 124 9.244 0.004 5.409 1.00 65.51 N ATOM 1665 CA VAL A 124 10.414 0.325 4.668 1.00 40.13 C ATOM 1666 C VAL A 124 11.574 0.427 5.627 1.00 13.20 C ATOM 1667 O VAL A 124 11.584 1.252 6.547 1.00 50.13 O ATOM 1668 CB VAL A 124 10.247 1.638 3.861 1.00 41.31 C ATOM 1669 CG1 VAL A 124 11.475 1.912 3.026 1.00 5.42 C ATOM 1670 CG2 VAL A 124 9.009 1.573 2.971 1.00 70.11 C ATOM 0 H VAL A 124 8.763 0.808 5.813 1.00 65.51 H new ATOM 0 HA VAL A 124 10.599 -0.464 3.939 1.00 40.13 H new ATOM 0 HB VAL A 124 10.120 2.455 4.571 1.00 41.31 H new ATOM 0 HG11 VAL A 124 11.336 2.838 2.468 1.00 5.42 H new ATOM 0 HG12 VAL A 124 12.344 2.007 3.677 1.00 5.42 H new ATOM 0 HG13 VAL A 124 11.632 1.089 2.329 1.00 5.42 H new ATOM 0 HG21 VAL A 124 8.912 2.505 2.414 1.00 70.11 H new ATOM 0 HG22 VAL A 124 9.106 0.742 2.273 1.00 70.11 H new ATOM 0 HG23 VAL A 124 8.124 1.426 3.589 1.00 70.11 H new ATOM 1680 N THR A 125 12.516 -0.423 5.426 1.00 41.24 N ATOM 1681 CA THR A 125 13.649 -0.537 6.268 1.00 54.00 C ATOM 1682 C THR A 125 14.897 -0.277 5.423 1.00 44.52 C ATOM 1683 O THR A 125 15.058 -0.898 4.375 1.00 73.12 O ATOM 1684 CB THR A 125 13.686 -1.973 6.831 1.00 2.41 C ATOM 1685 OG1 THR A 125 12.426 -2.265 7.464 1.00 63.21 O ATOM 1686 CG2 THR A 125 14.801 -2.156 7.842 1.00 74.44 C ATOM 0 H THR A 125 12.518 -1.079 4.645 1.00 41.24 H new ATOM 0 HA THR A 125 13.607 0.178 7.090 1.00 54.00 H new ATOM 0 HB THR A 125 13.869 -2.654 6.000 1.00 2.41 H new ATOM 0 HG1 THR A 125 12.443 -3.177 7.822 1.00 63.21 H new ATOM 0 HG21 THR A 125 14.791 -3.181 8.213 1.00 74.44 H new ATOM 0 HG22 THR A 125 15.760 -1.951 7.367 1.00 74.44 H new ATOM 0 HG23 THR A 125 14.654 -1.467 8.674 1.00 74.44 H new ATOM 1694 N PRO A 126 15.776 0.656 5.842 1.00 51.23 N ATOM 1695 CA PRO A 126 16.998 0.983 5.097 1.00 53.34 C ATOM 1696 C PRO A 126 17.834 -0.261 4.811 1.00 33.02 C ATOM 1697 O PRO A 126 17.926 -1.171 5.650 1.00 13.54 O ATOM 1698 CB PRO A 126 17.758 1.947 6.027 1.00 34.02 C ATOM 1699 CG PRO A 126 17.076 1.840 7.350 1.00 5.22 C ATOM 1700 CD PRO A 126 15.657 1.461 7.065 1.00 72.10 C ATOM 0 HA PRO A 126 16.777 1.418 4.122 1.00 53.34 H new ATOM 0 HB2 PRO A 126 18.810 1.672 6.104 1.00 34.02 H new ATOM 0 HB3 PRO A 126 17.723 2.968 5.648 1.00 34.02 H new ATOM 0 HG2 PRO A 126 17.560 1.091 7.977 1.00 5.22 H new ATOM 0 HG3 PRO A 126 17.124 2.786 7.889 1.00 5.22 H new ATOM 0 HD2 PRO A 126 15.218 0.891 7.884 1.00 72.10 H new ATOM 0 HD3 PRO A 126 15.027 2.337 6.913 1.00 72.10 H new ATOM 1708 N LYS A 127 18.419 -0.316 3.639 1.00 54.03 N ATOM 1709 CA LYS A 127 19.211 -1.469 3.243 1.00 3.41 C ATOM 1710 C LYS A 127 20.637 -1.283 3.734 1.00 71.34 C ATOM 1711 O LYS A 127 20.977 -0.174 4.187 1.00 12.41 O ATOM 1712 CB LYS A 127 19.158 -1.659 1.705 1.00 73.41 C ATOM 1713 CG LYS A 127 19.707 -0.503 0.887 1.00 41.04 C ATOM 1714 CD LYS A 127 19.523 -0.738 -0.615 1.00 23.04 C ATOM 1715 CE LYS A 127 20.344 -1.914 -1.115 1.00 11.41 C ATOM 1716 NZ LYS A 127 20.142 -2.158 -2.554 1.00 31.15 N ATOM 0 H LYS A 127 18.365 0.422 2.937 1.00 54.03 H new ATOM 0 HA LYS A 127 18.801 -2.373 3.695 1.00 3.41 H new ATOM 0 HB2 LYS A 127 19.714 -2.560 1.448 1.00 73.41 H new ATOM 0 HB3 LYS A 127 18.122 -1.829 1.412 1.00 73.41 H new ATOM 0 HG2 LYS A 127 19.203 0.419 1.176 1.00 41.04 H new ATOM 0 HG3 LYS A 127 20.766 -0.371 1.108 1.00 41.04 H new ATOM 0 HD2 LYS A 127 18.469 -0.916 -0.827 1.00 23.04 H new ATOM 0 HD3 LYS A 127 19.810 0.161 -1.160 1.00 23.04 H new ATOM 0 HE2 LYS A 127 21.400 -1.725 -0.924 1.00 11.41 H new ATOM 0 HE3 LYS A 127 20.074 -2.809 -0.554 1.00 11.41 H new ATOM 0 HZ1 LYS A 127 19.717 -3.097 -2.691 1.00 31.15 H new ATOM 0 HZ2 LYS A 127 19.508 -1.431 -2.944 1.00 31.15 H new ATOM 0 HZ3 LYS A 127 21.058 -2.117 -3.045 1.00 31.15 H new ATOM 1772 N GLY A 132 19.663 3.821 0.396 1.00 24.21 N ATOM 1773 CA GLY A 132 18.596 3.045 -0.178 1.00 63.14 C ATOM 1774 C GLY A 132 17.840 2.281 0.880 1.00 51.44 C ATOM 1775 O GLY A 132 18.310 2.143 2.021 1.00 12.21 O ATOM 0 HA2 GLY A 132 17.911 3.704 -0.712 1.00 63.14 H new ATOM 0 HA3 GLY A 132 19.004 2.348 -0.910 1.00 63.14 H new ATOM 1779 N SER A 133 16.687 1.775 0.547 1.00 10.22 N ATOM 1780 CA SER A 133 15.905 1.055 1.509 1.00 33.21 C ATOM 1781 C SER A 133 15.169 -0.129 0.880 1.00 2.22 C ATOM 1782 O SER A 133 15.021 -0.215 -0.340 1.00 3.11 O ATOM 1783 CB SER A 133 14.945 2.014 2.209 1.00 51.41 C ATOM 1784 OG SER A 133 15.673 3.057 2.864 1.00 11.42 O ATOM 0 H SER A 133 16.269 1.848 -0.381 1.00 10.22 H new ATOM 0 HA SER A 133 16.579 0.630 2.253 1.00 33.21 H new ATOM 0 HB2 SER A 133 14.256 2.444 1.482 1.00 51.41 H new ATOM 0 HB3 SER A 133 14.343 1.470 2.936 1.00 51.41 H new ATOM 0 HG SER A 133 16.015 3.686 2.196 1.00 11.42 H new ATOM 1790 N ILE A 134 14.749 -1.044 1.711 1.00 42.13 N ATOM 1791 CA ILE A 134 14.028 -2.208 1.283 1.00 34.23 C ATOM 1792 C ILE A 134 12.633 -2.096 1.833 1.00 74.24 C ATOM 1793 O ILE A 134 12.443 -1.667 2.974 1.00 40.03 O ATOM 1794 CB ILE A 134 14.621 -3.501 1.908 1.00 51.31 C ATOM 1795 CG1 ILE A 134 16.101 -3.608 1.661 1.00 45.04 C ATOM 1796 CG2 ILE A 134 13.909 -4.755 1.391 1.00 73.02 C ATOM 1797 CD1 ILE A 134 16.500 -3.695 0.213 1.00 72.40 C ATOM 0 H ILE A 134 14.901 -1.000 2.719 1.00 42.13 H new ATOM 0 HA ILE A 134 14.072 -2.263 0.195 1.00 34.23 H new ATOM 0 HB ILE A 134 14.457 -3.433 2.983 1.00 51.31 H new ATOM 0 HG12 ILE A 134 16.592 -2.742 2.106 1.00 45.04 H new ATOM 0 HG13 ILE A 134 16.478 -4.490 2.180 1.00 45.04 H new ATOM 0 HG21 ILE A 134 14.351 -5.639 1.850 1.00 73.02 H new ATOM 0 HG22 ILE A 134 12.851 -4.704 1.646 1.00 73.02 H new ATOM 0 HG23 ILE A 134 14.018 -4.815 0.308 1.00 73.02 H new ATOM 0 HD11 ILE A 134 17.585 -3.769 0.138 1.00 72.40 H new ATOM 0 HD12 ILE A 134 16.044 -4.577 -0.238 1.00 72.40 H new ATOM 0 HD13 ILE A 134 16.160 -2.802 -0.312 1.00 72.40 H new ATOM 1809 N VAL A 135 11.695 -2.476 1.081 1.00 32.15 N ATOM 1810 CA VAL A 135 10.341 -2.507 1.553 1.00 72.34 C ATOM 1811 C VAL A 135 9.948 -3.949 1.814 1.00 21.20 C ATOM 1812 O VAL A 135 9.975 -4.795 0.912 1.00 22.33 O ATOM 1813 CB VAL A 135 9.325 -1.759 0.620 1.00 3.41 C ATOM 1814 CG1 VAL A 135 9.334 -2.291 -0.794 1.00 12.24 C ATOM 1815 CG2 VAL A 135 7.917 -1.792 1.207 1.00 44.42 C ATOM 0 H VAL A 135 11.818 -2.780 0.115 1.00 32.15 H new ATOM 0 HA VAL A 135 10.294 -1.946 2.486 1.00 72.34 H new ATOM 0 HB VAL A 135 9.654 -0.721 0.567 1.00 3.41 H new ATOM 0 HG11 VAL A 135 8.613 -1.738 -1.396 1.00 12.24 H new ATOM 0 HG12 VAL A 135 10.330 -2.172 -1.221 1.00 12.24 H new ATOM 0 HG13 VAL A 135 9.066 -3.347 -0.787 1.00 12.24 H new ATOM 0 HG21 VAL A 135 7.233 -1.267 0.541 1.00 44.42 H new ATOM 0 HG22 VAL A 135 7.593 -2.827 1.317 1.00 44.42 H new ATOM 0 HG23 VAL A 135 7.918 -1.306 2.183 1.00 44.42 H new ATOM 1825 N HIS A 136 9.658 -4.241 3.055 1.00 52.53 N ATOM 1826 CA HIS A 136 9.315 -5.586 3.445 1.00 15.10 C ATOM 1827 C HIS A 136 7.819 -5.774 3.403 1.00 10.10 C ATOM 1828 O HIS A 136 7.087 -5.170 4.194 1.00 15.41 O ATOM 1829 CB HIS A 136 9.880 -5.931 4.839 1.00 4.41 C ATOM 1830 CG HIS A 136 11.389 -5.952 4.910 1.00 51.14 C ATOM 1831 ND1 HIS A 136 12.131 -7.095 4.717 1.00 72.40 N ATOM 1832 CD2 HIS A 136 12.297 -4.960 5.151 1.00 55.23 C ATOM 1833 CE1 HIS A 136 13.416 -6.815 4.829 1.00 53.21 C ATOM 1834 NE2 HIS A 136 13.543 -5.531 5.087 1.00 32.24 N ATOM 0 H HIS A 136 9.652 -3.563 3.817 1.00 52.53 H new ATOM 0 HA HIS A 136 9.771 -6.274 2.733 1.00 15.10 H new ATOM 0 HB2 HIS A 136 9.504 -5.205 5.560 1.00 4.41 H new ATOM 0 HB3 HIS A 136 9.500 -6.907 5.141 1.00 4.41 H new ATOM 0 HD2 HIS A 136 12.076 -3.922 5.354 1.00 55.23 H new ATOM 0 HE1 HIS A 136 14.227 -7.521 4.726 1.00 53.21 H new ATOM 0 HE2 HIS A 136 14.427 -5.039 5.218 1.00 32.24 H new ATOM 1843 N TRP A 137 7.372 -6.583 2.472 1.00 54.04 N ATOM 1844 CA TRP A 137 5.966 -6.852 2.289 1.00 20.13 C ATOM 1845 C TRP A 137 5.583 -8.113 3.014 1.00 70.22 C ATOM 1846 O TRP A 137 6.143 -9.178 2.759 1.00 72.13 O ATOM 1847 CB TRP A 137 5.639 -7.034 0.804 1.00 63.12 C ATOM 1848 CG TRP A 137 5.833 -5.823 -0.054 1.00 22.22 C ATOM 1849 CD1 TRP A 137 7.010 -5.270 -0.475 1.00 63.31 C ATOM 1850 CD2 TRP A 137 4.795 -5.035 -0.627 1.00 12.04 C ATOM 1851 NE1 TRP A 137 6.752 -4.181 -1.262 1.00 23.34 N ATOM 1852 CE2 TRP A 137 5.409 -4.014 -1.368 1.00 34.31 C ATOM 1853 CE3 TRP A 137 3.400 -5.089 -0.579 1.00 23.41 C ATOM 1854 CZ2 TRP A 137 4.685 -3.056 -2.055 1.00 71.20 C ATOM 1855 CZ3 TRP A 137 2.679 -4.134 -1.263 1.00 73.22 C ATOM 1856 CH2 TRP A 137 3.320 -3.132 -1.990 1.00 63.10 C ATOM 0 H TRP A 137 7.978 -7.076 1.816 1.00 54.04 H new ATOM 0 HA TRP A 137 5.409 -6.004 2.686 1.00 20.13 H new ATOM 0 HB2 TRP A 137 6.259 -7.839 0.410 1.00 63.12 H new ATOM 0 HB3 TRP A 137 4.602 -7.357 0.716 1.00 63.12 H new ATOM 0 HD1 TRP A 137 7.994 -5.637 -0.224 1.00 63.31 H new ATOM 0 HE1 TRP A 137 7.457 -3.588 -1.700 1.00 23.34 H new ATOM 0 HE3 TRP A 137 2.897 -5.863 -0.018 1.00 23.41 H new ATOM 0 HZ2 TRP A 137 5.178 -2.279 -2.620 1.00 71.20 H new ATOM 0 HZ3 TRP A 137 1.600 -4.162 -1.235 1.00 73.22 H new ATOM 0 HH2 TRP A 137 2.725 -2.398 -2.514 1.00 63.10 H new ATOM 1867 N HIS A 138 4.640 -8.007 3.903 1.00 21.53 N ATOM 1868 CA HIS A 138 4.150 -9.168 4.614 1.00 32.13 C ATOM 1869 C HIS A 138 2.681 -9.288 4.293 1.00 24.44 C ATOM 1870 O HIS A 138 1.896 -8.439 4.696 1.00 21.14 O ATOM 1871 CB HIS A 138 4.319 -9.002 6.136 1.00 64.52 C ATOM 1872 CG HIS A 138 5.696 -8.623 6.588 1.00 24.14 C ATOM 1873 ND1 HIS A 138 6.687 -9.528 6.901 1.00 71.42 N ATOM 1874 CD2 HIS A 138 6.229 -7.409 6.788 1.00 52.53 C ATOM 1875 CE1 HIS A 138 7.766 -8.875 7.277 1.00 24.43 C ATOM 1876 NE2 HIS A 138 7.517 -7.589 7.216 1.00 31.41 N ATOM 0 H HIS A 138 4.189 -7.129 4.159 1.00 21.53 H new ATOM 0 HA HIS A 138 4.710 -10.053 4.312 1.00 32.13 H new ATOM 0 HB2 HIS A 138 3.618 -8.242 6.482 1.00 64.52 H new ATOM 0 HB3 HIS A 138 4.040 -9.938 6.620 1.00 64.52 H new ATOM 0 HD1 HIS A 138 6.598 -10.543 6.849 1.00 71.42 H new ATOM 0 HD2 HIS A 138 5.733 -6.462 6.639 1.00 52.53 H new ATOM 0 HE1 HIS A 138 8.700 -9.323 7.584 1.00 24.43 H new ATOM 1885 N LEU A 139 2.315 -10.303 3.568 1.00 52.20 N ATOM 1886 CA LEU A 139 0.946 -10.482 3.144 1.00 2.00 C ATOM 1887 C LEU A 139 0.363 -11.706 3.817 1.00 55.50 C ATOM 1888 O LEU A 139 0.948 -12.768 3.753 1.00 10.20 O ATOM 1889 CB LEU A 139 0.839 -10.659 1.596 1.00 42.34 C ATOM 1890 CG LEU A 139 1.388 -9.530 0.670 1.00 4.04 C ATOM 1891 CD1 LEU A 139 2.903 -9.441 0.699 1.00 62.21 C ATOM 1892 CD2 LEU A 139 0.903 -9.724 -0.748 1.00 34.31 C ATOM 0 H LEU A 139 2.952 -11.034 3.251 1.00 52.20 H new ATOM 0 HA LEU A 139 0.392 -9.587 3.428 1.00 2.00 H new ATOM 0 HB2 LEU A 139 1.356 -11.582 1.333 1.00 42.34 H new ATOM 0 HB3 LEU A 139 -0.214 -10.803 1.352 1.00 42.34 H new ATOM 0 HG LEU A 139 1.002 -8.587 1.057 1.00 4.04 H new ATOM 0 HD11 LEU A 139 3.233 -8.640 0.038 1.00 62.21 H new ATOM 0 HD12 LEU A 139 3.236 -9.233 1.716 1.00 62.21 H new ATOM 0 HD13 LEU A 139 3.329 -10.387 0.364 1.00 62.21 H new ATOM 0 HD21 LEU A 139 1.296 -8.927 -1.379 1.00 34.31 H new ATOM 0 HD22 LEU A 139 1.249 -10.687 -1.122 1.00 34.31 H new ATOM 0 HD23 LEU A 139 -0.187 -9.698 -0.767 1.00 34.31 H new ATOM 1904 N GLU A 140 -0.766 -11.551 4.451 1.00 1.54 N ATOM 1905 CA GLU A 140 -1.471 -12.649 5.113 1.00 23.53 C ATOM 1906 C GLU A 140 -2.901 -12.686 4.635 1.00 24.33 C ATOM 1907 O GLU A 140 -3.575 -11.649 4.600 1.00 41.41 O ATOM 1908 CB GLU A 140 -1.443 -12.511 6.634 1.00 71.30 C ATOM 1909 CG GLU A 140 -0.063 -12.585 7.242 1.00 22.30 C ATOM 1910 CD GLU A 140 -0.104 -12.531 8.739 1.00 1.23 C ATOM 1911 OE1 GLU A 140 -0.386 -13.570 9.369 1.00 40.22 O ATOM 1912 OE2 GLU A 140 0.130 -11.445 9.319 1.00 23.12 O ATOM 0 H GLU A 140 -1.241 -10.652 4.532 1.00 1.54 H new ATOM 0 HA GLU A 140 -0.961 -13.578 4.855 1.00 23.53 H new ATOM 0 HB2 GLU A 140 -1.897 -11.559 6.909 1.00 71.30 H new ATOM 0 HB3 GLU A 140 -2.061 -13.296 7.069 1.00 71.30 H new ATOM 0 HG2 GLU A 140 0.423 -13.508 6.926 1.00 22.30 H new ATOM 0 HG3 GLU A 140 0.543 -11.761 6.866 1.00 22.30 H new ATOM 1919 N TYR A 141 -3.369 -13.850 4.253 1.00 44.43 N ATOM 1920 CA TYR A 141 -4.704 -13.958 3.690 1.00 41.22 C ATOM 1921 C TYR A 141 -5.375 -15.321 3.898 1.00 54.42 C ATOM 1922 O TYR A 141 -4.727 -16.380 3.876 1.00 21.24 O ATOM 1923 CB TYR A 141 -4.675 -13.574 2.198 1.00 71.43 C ATOM 1924 CG TYR A 141 -3.582 -14.258 1.430 1.00 70.12 C ATOM 1925 CD1 TYR A 141 -3.746 -15.526 0.925 1.00 25.32 C ATOM 1926 CD2 TYR A 141 -2.372 -13.626 1.234 1.00 53.22 C ATOM 1927 CE1 TYR A 141 -2.748 -16.153 0.255 1.00 4.23 C ATOM 1928 CE2 TYR A 141 -1.354 -14.240 0.558 1.00 54.24 C ATOM 1929 CZ TYR A 141 -1.541 -15.513 0.070 1.00 45.11 C ATOM 1930 OH TYR A 141 -0.527 -16.147 -0.617 1.00 72.44 O ATOM 0 H TYR A 141 -2.856 -14.729 4.318 1.00 44.43 H new ATOM 0 HA TYR A 141 -5.326 -13.255 4.244 1.00 41.22 H new ATOM 0 HB2 TYR A 141 -5.636 -13.822 1.747 1.00 71.43 H new ATOM 0 HB3 TYR A 141 -4.551 -12.495 2.110 1.00 71.43 H new ATOM 0 HD1 TYR A 141 -4.689 -16.033 1.065 1.00 25.32 H new ATOM 0 HD2 TYR A 141 -2.226 -12.628 1.621 1.00 53.22 H new ATOM 0 HE1 TYR A 141 -2.898 -17.150 -0.132 1.00 4.23 H new ATOM 0 HE2 TYR A 141 -0.413 -13.731 0.409 1.00 54.24 H new ATOM 0 HH TYR A 141 0.027 -15.479 -1.072 1.00 72.44 H new ATOM 1940 N GLU A 142 -6.674 -15.267 4.086 1.00 11.31 N ATOM 1941 CA GLU A 142 -7.521 -16.443 4.215 1.00 55.23 C ATOM 1942 C GLU A 142 -8.240 -16.620 2.880 1.00 14.44 C ATOM 1943 O GLU A 142 -8.745 -15.637 2.312 1.00 63.34 O ATOM 1944 CB GLU A 142 -8.547 -16.217 5.336 1.00 33.01 C ATOM 1945 CG GLU A 142 -9.515 -17.374 5.562 1.00 71.20 C ATOM 1946 CD GLU A 142 -8.853 -18.625 6.048 1.00 42.33 C ATOM 1947 OE1 GLU A 142 -8.728 -18.796 7.285 1.00 25.13 O ATOM 1948 OE2 GLU A 142 -8.484 -19.464 5.212 1.00 21.01 O ATOM 0 H GLU A 142 -7.187 -14.388 4.156 1.00 11.31 H new ATOM 0 HA GLU A 142 -6.934 -17.328 4.461 1.00 55.23 H new ATOM 0 HB2 GLU A 142 -8.011 -16.023 6.265 1.00 33.01 H new ATOM 0 HB3 GLU A 142 -9.122 -15.320 5.107 1.00 33.01 H new ATOM 0 HG2 GLU A 142 -10.270 -17.068 6.286 1.00 71.20 H new ATOM 0 HG3 GLU A 142 -10.036 -17.588 4.629 1.00 71.20 H new ATOM 1955 N LYS A 143 -8.299 -17.824 2.380 1.00 14.03 N ATOM 1956 CA LYS A 143 -8.862 -18.048 1.060 1.00 55.10 C ATOM 1957 C LYS A 143 -10.295 -18.509 1.119 1.00 74.21 C ATOM 1958 O LYS A 143 -10.671 -19.263 2.008 1.00 51.32 O ATOM 1959 CB LYS A 143 -8.045 -19.064 0.298 1.00 40.51 C ATOM 1960 CG LYS A 143 -6.630 -18.642 0.164 1.00 14.22 C ATOM 1961 CD LYS A 143 -5.843 -19.553 -0.715 1.00 45.30 C ATOM 1962 CE LYS A 143 -4.436 -19.092 -0.729 1.00 52.25 C ATOM 1963 NZ LYS A 143 -3.768 -19.357 0.566 1.00 2.33 N ATOM 0 H LYS A 143 -7.969 -18.664 2.855 1.00 14.03 H new ATOM 0 HA LYS A 143 -8.836 -17.088 0.544 1.00 55.10 H new ATOM 0 HB2 LYS A 143 -8.091 -20.025 0.810 1.00 40.51 H new ATOM 0 HB3 LYS A 143 -8.477 -19.209 -0.692 1.00 40.51 H new ATOM 0 HG2 LYS A 143 -6.593 -17.630 -0.240 1.00 14.22 H new ATOM 0 HG3 LYS A 143 -6.169 -18.608 1.151 1.00 14.22 H new ATOM 0 HD2 LYS A 143 -5.902 -20.578 -0.348 1.00 45.30 H new ATOM 0 HD3 LYS A 143 -6.252 -19.552 -1.725 1.00 45.30 H new ATOM 0 HE2 LYS A 143 -3.894 -19.596 -1.529 1.00 52.25 H new ATOM 0 HE3 LYS A 143 -4.403 -18.024 -0.945 1.00 52.25 H new ATOM 0 HZ1 LYS A 143 -3.566 -18.455 1.043 1.00 2.33 H new ATOM 0 HZ2 LYS A 143 -4.391 -19.934 1.166 1.00 2.33 H new ATOM 0 HZ3 LYS A 143 -2.878 -19.868 0.399 1.00 2.33 H new ATOM 1977 N ILE A 144 -11.096 -18.047 0.175 1.00 11.43 N ATOM 1978 CA ILE A 144 -12.479 -18.495 0.064 1.00 41.51 C ATOM 1979 C ILE A 144 -12.468 -19.867 -0.574 1.00 15.31 C ATOM 1980 O ILE A 144 -13.181 -20.782 -0.167 1.00 54.02 O ATOM 1981 CB ILE A 144 -13.312 -17.537 -0.822 1.00 65.34 C ATOM 1982 CG1 ILE A 144 -13.260 -16.131 -0.252 1.00 41.31 C ATOM 1983 CG2 ILE A 144 -14.761 -18.017 -0.906 1.00 62.41 C ATOM 1984 CD1 ILE A 144 -13.978 -15.091 -1.073 1.00 44.34 C ATOM 0 H ILE A 144 -10.816 -17.362 -0.527 1.00 11.43 H new ATOM 0 HA ILE A 144 -12.930 -18.516 1.056 1.00 41.51 H new ATOM 0 HB ILE A 144 -12.889 -17.530 -1.827 1.00 65.34 H new ATOM 0 HG12 ILE A 144 -13.690 -16.144 0.750 1.00 41.31 H new ATOM 0 HG13 ILE A 144 -12.216 -15.835 -0.147 1.00 41.31 H new ATOM 0 HG21 ILE A 144 -15.335 -17.334 -1.532 1.00 62.41 H new ATOM 0 HG22 ILE A 144 -14.789 -19.017 -1.340 1.00 62.41 H new ATOM 0 HG23 ILE A 144 -15.194 -18.043 0.094 1.00 62.41 H new ATOM 0 HD11 ILE A 144 -13.887 -14.119 -0.589 1.00 44.34 H new ATOM 0 HD12 ILE A 144 -13.535 -15.044 -2.068 1.00 44.34 H new ATOM 0 HD13 ILE A 144 -15.032 -15.357 -1.157 1.00 44.34 H new ATOM 1996 N SER A 145 -11.629 -19.988 -1.556 1.00 54.31 N ATOM 1997 CA SER A 145 -11.420 -21.184 -2.268 1.00 71.21 C ATOM 1998 C SER A 145 -9.989 -21.130 -2.778 1.00 3.03 C ATOM 1999 O SER A 145 -9.325 -20.094 -2.645 1.00 12.14 O ATOM 2000 CB SER A 145 -12.446 -21.319 -3.418 1.00 75.33 C ATOM 2001 OG SER A 145 -12.290 -22.536 -4.130 1.00 71.02 O ATOM 0 H SER A 145 -11.052 -19.215 -1.888 1.00 54.31 H new ATOM 0 HA SER A 145 -11.563 -22.062 -1.638 1.00 71.21 H new ATOM 0 HB2 SER A 145 -13.456 -21.264 -3.011 1.00 75.33 H new ATOM 0 HB3 SER A 145 -12.333 -20.480 -4.105 1.00 75.33 H new ATOM 0 HG SER A 145 -12.957 -22.584 -4.846 1.00 71.02 H new ATOM 2007 N GLU A 146 -9.527 -22.188 -3.340 1.00 73.21 N ATOM 2008 CA GLU A 146 -8.157 -22.286 -3.771 1.00 30.21 C ATOM 2009 C GLU A 146 -7.999 -21.710 -5.163 1.00 43.34 C ATOM 2010 O GLU A 146 -7.220 -20.784 -5.373 1.00 3.54 O ATOM 2011 CB GLU A 146 -7.771 -23.746 -3.709 1.00 0.10 C ATOM 2012 CG GLU A 146 -6.321 -24.114 -4.023 1.00 72.21 C ATOM 2013 CD GLU A 146 -6.007 -24.095 -5.494 1.00 1.15 C ATOM 2014 OE1 GLU A 146 -6.389 -25.060 -6.184 1.00 52.24 O ATOM 2015 OE2 GLU A 146 -5.404 -23.131 -5.987 1.00 33.11 O ATOM 0 H GLU A 146 -10.084 -23.023 -3.521 1.00 73.21 H new ATOM 0 HA GLU A 146 -7.496 -21.708 -3.125 1.00 30.21 H new ATOM 0 HB2 GLU A 146 -8.000 -24.111 -2.708 1.00 0.10 H new ATOM 0 HB3 GLU A 146 -8.412 -24.292 -4.401 1.00 0.10 H new ATOM 0 HG2 GLU A 146 -5.658 -23.419 -3.508 1.00 72.21 H new ATOM 0 HG3 GLU A 146 -6.112 -25.108 -3.627 1.00 72.21 H new ATOM 2022 N GLU A 147 -8.773 -22.229 -6.105 1.00 51.51 N ATOM 2023 CA GLU A 147 -8.691 -21.802 -7.495 1.00 53.15 C ATOM 2024 C GLU A 147 -9.074 -20.340 -7.659 1.00 13.01 C ATOM 2025 O GLU A 147 -8.771 -19.712 -8.679 1.00 13.41 O ATOM 2026 CB GLU A 147 -9.524 -22.689 -8.415 1.00 0.24 C ATOM 2027 CG GLU A 147 -11.005 -22.711 -8.103 1.00 23.31 C ATOM 2028 CD GLU A 147 -11.765 -23.556 -9.079 1.00 41.13 C ATOM 2029 OE1 GLU A 147 -12.134 -23.048 -10.152 1.00 54.15 O ATOM 2030 OE2 GLU A 147 -12.003 -24.750 -8.788 1.00 5.54 O ATOM 0 H GLU A 147 -9.471 -22.952 -5.930 1.00 51.51 H new ATOM 0 HA GLU A 147 -7.648 -21.908 -7.792 1.00 53.15 H new ATOM 0 HB2 GLU A 147 -9.388 -22.352 -9.443 1.00 0.24 H new ATOM 0 HB3 GLU A 147 -9.140 -23.708 -8.360 1.00 0.24 H new ATOM 0 HG2 GLU A 147 -11.159 -23.093 -7.094 1.00 23.31 H new ATOM 0 HG3 GLU A 147 -11.396 -21.694 -8.121 1.00 23.31 H new ATOM 2037 N VAL A 148 -9.763 -19.807 -6.675 1.00 31.11 N ATOM 2038 CA VAL A 148 -10.195 -18.407 -6.745 1.00 62.31 C ATOM 2039 C VAL A 148 -9.115 -17.478 -6.198 1.00 71.13 C ATOM 2040 O VAL A 148 -9.205 -16.274 -6.334 1.00 73.43 O ATOM 2041 CB VAL A 148 -11.532 -18.133 -6.008 1.00 61.02 C ATOM 2042 CG1 VAL A 148 -12.629 -19.083 -6.458 1.00 21.14 C ATOM 2043 CG2 VAL A 148 -11.365 -18.113 -4.496 1.00 62.23 C ATOM 0 H VAL A 148 -10.038 -20.301 -5.826 1.00 31.11 H new ATOM 0 HA VAL A 148 -10.363 -18.204 -7.803 1.00 62.31 H new ATOM 0 HB VAL A 148 -11.850 -17.130 -6.291 1.00 61.02 H new ATOM 0 HG11 VAL A 148 -13.549 -18.858 -5.918 1.00 21.14 H new ATOM 0 HG12 VAL A 148 -12.798 -18.963 -7.528 1.00 21.14 H new ATOM 0 HG13 VAL A 148 -12.329 -20.110 -6.251 1.00 21.14 H new ATOM 0 HG21 VAL A 148 -12.329 -17.918 -4.026 1.00 62.23 H new ATOM 0 HG22 VAL A 148 -10.986 -19.078 -4.159 1.00 62.23 H new ATOM 0 HG23 VAL A 148 -10.660 -17.329 -4.218 1.00 62.23 H new ATOM 2053 N ALA A 149 -8.099 -18.054 -5.591 1.00 72.34 N ATOM 2054 CA ALA A 149 -7.018 -17.288 -5.030 1.00 50.43 C ATOM 2055 C ALA A 149 -5.920 -17.168 -6.052 1.00 15.23 C ATOM 2056 O ALA A 149 -5.612 -18.128 -6.760 1.00 3.24 O ATOM 2057 CB ALA A 149 -6.505 -17.950 -3.779 1.00 44.43 C ATOM 0 H ALA A 149 -8.004 -19.063 -5.475 1.00 72.34 H new ATOM 0 HA ALA A 149 -7.374 -16.293 -4.764 1.00 50.43 H new ATOM 0 HB1 ALA A 149 -5.687 -17.360 -3.364 1.00 44.43 H new ATOM 0 HB2 ALA A 149 -7.310 -18.019 -3.047 1.00 44.43 H new ATOM 0 HB3 ALA A 149 -6.146 -18.951 -4.018 1.00 44.43 H new ATOM 2063 N HIS A 150 -5.333 -16.005 -6.154 1.00 23.12 N ATOM 2064 CA HIS A 150 -4.320 -15.768 -7.158 1.00 45.33 C ATOM 2065 C HIS A 150 -3.073 -15.173 -6.512 1.00 22.33 C ATOM 2066 O HIS A 150 -2.953 -13.961 -6.415 1.00 72.44 O ATOM 2067 CB HIS A 150 -4.827 -14.797 -8.272 1.00 21.54 C ATOM 2068 CG HIS A 150 -6.068 -15.225 -9.047 1.00 63.11 C ATOM 2069 ND1 HIS A 150 -6.215 -15.045 -10.404 1.00 1.03 N ATOM 2070 CD2 HIS A 150 -7.238 -15.755 -8.630 1.00 40.33 C ATOM 2071 CE1 HIS A 150 -7.417 -15.443 -10.770 1.00 4.20 C ATOM 2072 NE2 HIS A 150 -8.055 -15.877 -9.713 1.00 44.31 N ATOM 0 H HIS A 150 -5.536 -15.204 -5.556 1.00 23.12 H new ATOM 0 HA HIS A 150 -4.085 -16.728 -7.617 1.00 45.33 H new ATOM 0 HB2 HIS A 150 -5.031 -13.830 -7.812 1.00 21.54 H new ATOM 0 HB3 HIS A 150 -4.017 -14.646 -8.985 1.00 21.54 H new ATOM 0 HD2 HIS A 150 -7.483 -16.033 -7.616 1.00 40.33 H new ATOM 0 HE1 HIS A 150 -7.810 -15.416 -11.775 1.00 4.20 H new ATOM 0 HE2 HIS A 150 -9.006 -16.245 -9.702 1.00 44.31 H new ATOM 2081 N PRO A 151 -2.139 -16.006 -5.998 1.00 43.50 N ATOM 2082 CA PRO A 151 -0.858 -15.505 -5.432 1.00 71.45 C ATOM 2083 C PRO A 151 -0.022 -14.824 -6.524 1.00 12.00 C ATOM 2084 O PRO A 151 0.910 -14.051 -6.251 1.00 15.31 O ATOM 2085 CB PRO A 151 -0.161 -16.788 -4.947 1.00 72.33 C ATOM 2086 CG PRO A 151 -1.266 -17.780 -4.781 1.00 21.33 C ATOM 2087 CD PRO A 151 -2.258 -17.470 -5.866 1.00 52.21 C ATOM 0 HA PRO A 151 -0.997 -14.766 -4.643 1.00 71.45 H new ATOM 0 HB2 PRO A 151 0.577 -17.135 -5.670 1.00 72.33 H new ATOM 0 HB3 PRO A 151 0.366 -16.621 -4.008 1.00 72.33 H new ATOM 0 HG2 PRO A 151 -0.893 -18.800 -4.872 1.00 21.33 H new ATOM 0 HG3 PRO A 151 -1.724 -17.694 -3.796 1.00 21.33 H new ATOM 0 HD2 PRO A 151 -2.015 -17.983 -6.797 1.00 52.21 H new ATOM 0 HD3 PRO A 151 -3.268 -17.772 -5.590 1.00 52.21 H new ATOM 2095 N GLU A 152 -0.406 -15.117 -7.750 1.00 73.51 N ATOM 2096 CA GLU A 152 0.203 -14.618 -8.961 1.00 51.41 C ATOM 2097 C GLU A 152 0.129 -13.092 -8.995 1.00 13.30 C ATOM 2098 O GLU A 152 1.118 -12.397 -9.255 1.00 64.44 O ATOM 2099 CB GLU A 152 -0.615 -15.121 -10.154 1.00 32.25 C ATOM 2100 CG GLU A 152 -0.978 -16.598 -10.116 1.00 45.02 C ATOM 2101 CD GLU A 152 0.219 -17.496 -10.027 1.00 20.04 C ATOM 2102 OE1 GLU A 152 0.883 -17.698 -11.049 1.00 61.34 O ATOM 2103 OE2 GLU A 152 0.507 -18.006 -8.937 1.00 10.35 O ATOM 0 H GLU A 152 -1.191 -15.741 -7.935 1.00 73.51 H new ATOM 0 HA GLU A 152 1.239 -14.953 -8.999 1.00 51.41 H new ATOM 0 HB2 GLU A 152 -1.535 -14.539 -10.214 1.00 32.25 H new ATOM 0 HB3 GLU A 152 -0.053 -14.925 -11.067 1.00 32.25 H new ATOM 0 HG2 GLU A 152 -1.629 -16.784 -9.262 1.00 45.02 H new ATOM 0 HG3 GLU A 152 -1.547 -16.849 -11.011 1.00 45.02 H new ATOM 2110 N THR A 153 -1.048 -12.588 -8.688 1.00 55.12 N ATOM 2111 CA THR A 153 -1.335 -11.191 -8.795 1.00 25.23 C ATOM 2112 C THR A 153 -0.731 -10.406 -7.641 1.00 64.14 C ATOM 2113 O THR A 153 -0.381 -9.254 -7.804 1.00 31.01 O ATOM 2114 CB THR A 153 -2.848 -10.959 -8.904 1.00 60.03 C ATOM 2115 OG1 THR A 153 -3.491 -11.523 -7.766 1.00 44.53 O ATOM 2116 CG2 THR A 153 -3.384 -11.636 -10.159 1.00 24.33 C ATOM 0 H THR A 153 -1.832 -13.149 -8.355 1.00 55.12 H new ATOM 0 HA THR A 153 -0.870 -10.820 -9.709 1.00 25.23 H new ATOM 0 HB THR A 153 -3.045 -9.888 -8.954 1.00 60.03 H new ATOM 0 HG1 THR A 153 -4.458 -11.376 -7.830 1.00 44.53 H new ATOM 0 HG21 THR A 153 -4.459 -11.469 -10.232 1.00 24.33 H new ATOM 0 HG22 THR A 153 -2.891 -11.218 -11.037 1.00 24.33 H new ATOM 0 HG23 THR A 153 -3.186 -12.707 -10.107 1.00 24.33 H new ATOM 2124 N LEU A 154 -0.613 -11.048 -6.484 1.00 23.13 N ATOM 2125 CA LEU A 154 0.022 -10.457 -5.302 1.00 3.45 C ATOM 2126 C LEU A 154 1.406 -9.942 -5.584 1.00 13.12 C ATOM 2127 O LEU A 154 1.716 -8.792 -5.262 1.00 10.13 O ATOM 2128 CB LEU A 154 0.066 -11.453 -4.159 1.00 50.33 C ATOM 2129 CG LEU A 154 -1.164 -11.536 -3.264 1.00 43.33 C ATOM 2130 CD1 LEU A 154 -2.442 -11.702 -4.038 1.00 33.33 C ATOM 2131 CD2 LEU A 154 -0.997 -12.655 -2.285 1.00 43.31 C ATOM 0 H LEU A 154 -0.955 -11.997 -6.335 1.00 23.13 H new ATOM 0 HA LEU A 154 -0.593 -9.603 -5.016 1.00 3.45 H new ATOM 0 HB2 LEU A 154 0.246 -12.443 -4.579 1.00 50.33 H new ATOM 0 HB3 LEU A 154 0.925 -11.212 -3.533 1.00 50.33 H new ATOM 0 HG LEU A 154 -1.245 -10.587 -2.735 1.00 43.33 H new ATOM 0 HD11 LEU A 154 -3.282 -11.755 -3.346 1.00 33.33 H new ATOM 0 HD12 LEU A 154 -2.576 -10.852 -4.707 1.00 33.33 H new ATOM 0 HD13 LEU A 154 -2.396 -12.620 -4.624 1.00 33.33 H new ATOM 0 HD21 LEU A 154 -1.878 -12.713 -1.645 1.00 43.31 H new ATOM 0 HD22 LEU A 154 -0.877 -13.595 -2.824 1.00 43.31 H new ATOM 0 HD23 LEU A 154 -0.114 -12.473 -1.672 1.00 43.31 H new ATOM 2143 N LEU A 155 2.240 -10.770 -6.194 1.00 31.34 N ATOM 2144 CA LEU A 155 3.580 -10.340 -6.514 1.00 35.14 C ATOM 2145 C LEU A 155 3.577 -9.194 -7.494 1.00 41.41 C ATOM 2146 O LEU A 155 4.332 -8.255 -7.349 1.00 22.30 O ATOM 2147 CB LEU A 155 4.481 -11.484 -6.974 1.00 22.22 C ATOM 2148 CG LEU A 155 4.824 -12.519 -5.897 1.00 54.13 C ATOM 2149 CD1 LEU A 155 5.757 -13.567 -6.441 1.00 24.24 C ATOM 2150 CD2 LEU A 155 5.454 -11.848 -4.692 1.00 54.24 C ATOM 0 H LEU A 155 2.013 -11.725 -6.471 1.00 31.34 H new ATOM 0 HA LEU A 155 4.014 -9.974 -5.584 1.00 35.14 H new ATOM 0 HB2 LEU A 155 3.996 -11.996 -7.805 1.00 22.22 H new ATOM 0 HB3 LEU A 155 5.410 -11.062 -7.358 1.00 22.22 H new ATOM 0 HG LEU A 155 3.896 -13.001 -5.589 1.00 54.13 H new ATOM 0 HD11 LEU A 155 5.987 -14.291 -5.659 1.00 24.24 H new ATOM 0 HD12 LEU A 155 5.282 -14.077 -7.279 1.00 24.24 H new ATOM 0 HD13 LEU A 155 6.679 -13.093 -6.779 1.00 24.24 H new ATOM 0 HD21 LEU A 155 5.690 -12.600 -3.939 1.00 54.24 H new ATOM 0 HD22 LEU A 155 6.369 -11.339 -4.996 1.00 54.24 H new ATOM 0 HD23 LEU A 155 4.757 -11.122 -4.274 1.00 54.24 H new ATOM 2162 N GLN A 156 2.690 -9.233 -8.446 1.00 51.52 N ATOM 2163 CA GLN A 156 2.618 -8.166 -9.421 1.00 72.52 C ATOM 2164 C GLN A 156 2.042 -6.896 -8.807 1.00 10.10 C ATOM 2165 O GLN A 156 2.412 -5.782 -9.198 1.00 61.41 O ATOM 2166 CB GLN A 156 1.856 -8.598 -10.648 1.00 23.41 C ATOM 2167 CG GLN A 156 2.446 -9.836 -11.268 1.00 2.42 C ATOM 2168 CD GLN A 156 1.879 -10.132 -12.607 1.00 44.42 C ATOM 2169 OE1 GLN A 156 0.880 -10.841 -12.743 1.00 45.32 O ATOM 2170 NE2 GLN A 156 2.519 -9.609 -13.610 1.00 44.42 N ATOM 0 H GLN A 156 2.009 -9.982 -8.574 1.00 51.52 H new ATOM 0 HA GLN A 156 3.634 -7.934 -9.741 1.00 72.52 H new ATOM 0 HB2 GLN A 156 0.816 -8.786 -10.382 1.00 23.41 H new ATOM 0 HB3 GLN A 156 1.857 -7.790 -11.379 1.00 23.41 H new ATOM 0 HG2 GLN A 156 3.526 -9.715 -11.354 1.00 2.42 H new ATOM 0 HG3 GLN A 156 2.272 -10.686 -10.608 1.00 2.42 H new ATOM 0 HE21 GLN A 156 3.341 -9.029 -13.444 1.00 44.42 H new ATOM 0 HE22 GLN A 156 2.199 -9.779 -14.564 1.00 44.42 H new ATOM 2179 N PHE A 157 1.152 -7.076 -7.837 1.00 1.53 N ATOM 2180 CA PHE A 157 0.574 -5.980 -7.081 1.00 3.43 C ATOM 2181 C PHE A 157 1.677 -5.263 -6.322 1.00 5.15 C ATOM 2182 O PHE A 157 1.814 -4.051 -6.420 1.00 53.01 O ATOM 2183 CB PHE A 157 -0.525 -6.520 -6.117 1.00 62.03 C ATOM 2184 CG PHE A 157 -1.208 -5.489 -5.234 1.00 12.22 C ATOM 2185 CD1 PHE A 157 -1.834 -4.390 -5.790 1.00 41.31 C ATOM 2186 CD2 PHE A 157 -1.243 -5.642 -3.844 1.00 54.24 C ATOM 2187 CE1 PHE A 157 -2.478 -3.457 -4.993 1.00 30.34 C ATOM 2188 CE2 PHE A 157 -1.892 -4.699 -3.040 1.00 30.51 C ATOM 2189 CZ PHE A 157 -2.503 -3.612 -3.622 1.00 24.43 C ATOM 0 H PHE A 157 0.811 -7.995 -7.554 1.00 1.53 H new ATOM 0 HA PHE A 157 0.100 -5.268 -7.757 1.00 3.43 H new ATOM 0 HB2 PHE A 157 -1.288 -7.020 -6.713 1.00 62.03 H new ATOM 0 HB3 PHE A 157 -0.075 -7.277 -5.475 1.00 62.03 H new ATOM 0 HD1 PHE A 157 -1.821 -4.256 -6.862 1.00 41.31 H new ATOM 0 HD2 PHE A 157 -0.765 -6.496 -3.387 1.00 54.24 H new ATOM 0 HE1 PHE A 157 -2.962 -2.605 -5.447 1.00 30.34 H new ATOM 0 HE2 PHE A 157 -1.913 -4.824 -1.967 1.00 30.51 H new ATOM 0 HZ PHE A 157 -3.003 -2.880 -3.005 1.00 24.43 H new ATOM 2199 N CYS A 158 2.501 -6.023 -5.608 1.00 41.43 N ATOM 2200 CA CYS A 158 3.578 -5.422 -4.861 1.00 4.04 C ATOM 2201 C CYS A 158 4.612 -4.755 -5.775 1.00 10.23 C ATOM 2202 O CYS A 158 5.162 -3.722 -5.424 1.00 2.14 O ATOM 2203 CB CYS A 158 4.220 -6.401 -3.853 1.00 70.33 C ATOM 2204 SG CYS A 158 4.946 -7.898 -4.542 1.00 75.43 S ATOM 0 H CYS A 158 2.439 -7.039 -5.537 1.00 41.43 H new ATOM 0 HA CYS A 158 3.134 -4.626 -4.263 1.00 4.04 H new ATOM 0 HB2 CYS A 158 4.995 -5.867 -3.304 1.00 70.33 H new ATOM 0 HB3 CYS A 158 3.460 -6.692 -3.128 1.00 70.33 H new ATOM 0 HG CYS A 158 4.812 -7.890 -5.835 1.00 75.43 H new ATOM 2210 N VAL A 159 4.838 -5.320 -6.969 1.00 23.05 N ATOM 2211 CA VAL A 159 5.797 -4.740 -7.922 1.00 2.14 C ATOM 2212 C VAL A 159 5.376 -3.335 -8.355 1.00 44.01 C ATOM 2213 O VAL A 159 6.152 -2.375 -8.244 1.00 61.31 O ATOM 2214 CB VAL A 159 5.955 -5.610 -9.214 1.00 54.11 C ATOM 2215 CG1 VAL A 159 6.853 -4.913 -10.225 1.00 74.53 C ATOM 2216 CG2 VAL A 159 6.528 -6.970 -8.895 1.00 4.24 C ATOM 0 H VAL A 159 4.376 -6.168 -7.296 1.00 23.05 H new ATOM 0 HA VAL A 159 6.749 -4.704 -7.392 1.00 2.14 H new ATOM 0 HB VAL A 159 4.960 -5.740 -9.640 1.00 54.11 H new ATOM 0 HG11 VAL A 159 6.950 -5.535 -11.115 1.00 74.53 H new ATOM 0 HG12 VAL A 159 6.416 -3.953 -10.499 1.00 74.53 H new ATOM 0 HG13 VAL A 159 7.838 -4.752 -9.787 1.00 74.53 H new ATOM 0 HG21 VAL A 159 6.625 -7.549 -9.814 1.00 4.24 H new ATOM 0 HG22 VAL A 159 7.509 -6.853 -8.435 1.00 4.24 H new ATOM 0 HG23 VAL A 159 5.864 -7.492 -8.206 1.00 4.24 H new ATOM 2226 N GLU A 160 4.146 -3.208 -8.805 1.00 14.22 N ATOM 2227 CA GLU A 160 3.683 -1.955 -9.352 1.00 24.21 C ATOM 2228 C GLU A 160 3.462 -0.886 -8.280 1.00 31.11 C ATOM 2229 O GLU A 160 3.635 0.313 -8.543 1.00 10.44 O ATOM 2230 CB GLU A 160 2.511 -2.177 -10.322 1.00 34.00 C ATOM 2231 CG GLU A 160 1.253 -2.773 -9.729 1.00 72.10 C ATOM 2232 CD GLU A 160 0.246 -1.727 -9.388 1.00 70.11 C ATOM 2233 OE1 GLU A 160 0.259 -1.205 -8.279 1.00 53.12 O ATOM 2234 OE2 GLU A 160 -0.586 -1.409 -10.267 1.00 52.23 O ATOM 0 H GLU A 160 3.452 -3.956 -8.802 1.00 14.22 H new ATOM 0 HA GLU A 160 4.479 -1.529 -9.962 1.00 24.21 H new ATOM 0 HB2 GLU A 160 2.255 -1.219 -10.774 1.00 34.00 H new ATOM 0 HB3 GLU A 160 2.852 -2.829 -11.127 1.00 34.00 H new ATOM 0 HG2 GLU A 160 0.818 -3.478 -10.437 1.00 72.10 H new ATOM 0 HG3 GLU A 160 1.507 -3.338 -8.832 1.00 72.10 H new ATOM 2241 N VAL A 161 3.122 -1.316 -7.070 1.00 1.21 N ATOM 2242 CA VAL A 161 3.022 -0.392 -5.952 1.00 3.14 C ATOM 2243 C VAL A 161 4.425 0.072 -5.542 1.00 45.40 C ATOM 2244 O VAL A 161 4.632 1.251 -5.250 1.00 51.45 O ATOM 2245 CB VAL A 161 2.285 -1.003 -4.720 1.00 55.25 C ATOM 2246 CG1 VAL A 161 2.249 -0.011 -3.558 1.00 43.13 C ATOM 2247 CG2 VAL A 161 0.869 -1.410 -5.082 1.00 4.11 C ATOM 0 H VAL A 161 2.913 -2.288 -6.842 1.00 1.21 H new ATOM 0 HA VAL A 161 2.424 0.455 -6.289 1.00 3.14 H new ATOM 0 HB VAL A 161 2.841 -1.889 -4.413 1.00 55.25 H new ATOM 0 HG11 VAL A 161 1.730 -0.461 -2.712 1.00 43.13 H new ATOM 0 HG12 VAL A 161 3.268 0.244 -3.265 1.00 43.13 H new ATOM 0 HG13 VAL A 161 1.724 0.893 -3.867 1.00 43.13 H new ATOM 0 HG21 VAL A 161 0.377 -1.833 -4.206 1.00 4.11 H new ATOM 0 HG22 VAL A 161 0.315 -0.535 -5.423 1.00 4.11 H new ATOM 0 HG23 VAL A 161 0.897 -2.155 -5.878 1.00 4.11 H new ATOM 2257 N SER A 162 5.400 -0.852 -5.579 1.00 52.22 N ATOM 2258 CA SER A 162 6.760 -0.520 -5.197 1.00 65.11 C ATOM 2259 C SER A 162 7.363 0.497 -6.132 1.00 0.51 C ATOM 2260 O SER A 162 8.078 1.387 -5.704 1.00 20.55 O ATOM 2261 CB SER A 162 7.627 -1.752 -5.128 1.00 52.13 C ATOM 2262 OG SER A 162 7.165 -2.635 -4.121 1.00 4.03 O ATOM 0 H SER A 162 5.263 -1.821 -5.868 1.00 52.22 H new ATOM 0 HA SER A 162 6.715 -0.079 -4.201 1.00 65.11 H new ATOM 0 HB2 SER A 162 7.624 -2.259 -6.093 1.00 52.13 H new ATOM 0 HB3 SER A 162 8.658 -1.466 -4.922 1.00 52.13 H new ATOM 0 HG SER A 162 6.572 -3.305 -4.521 1.00 4.03 H new ATOM 2268 N LYS A 163 7.057 0.381 -7.410 1.00 24.01 N ATOM 2269 CA LYS A 163 7.568 1.327 -8.368 1.00 71.01 C ATOM 2270 C LYS A 163 6.926 2.689 -8.190 1.00 34.35 C ATOM 2271 O LYS A 163 7.610 3.700 -8.277 1.00 72.52 O ATOM 2272 CB LYS A 163 7.419 0.824 -9.796 1.00 74.11 C ATOM 2273 CG LYS A 163 8.170 -0.470 -10.049 1.00 43.54 C ATOM 2274 CD LYS A 163 8.148 -0.876 -11.511 1.00 2.00 C ATOM 2275 CE LYS A 163 6.745 -1.132 -12.037 1.00 2.12 C ATOM 2276 NZ LYS A 163 6.773 -1.532 -13.461 1.00 40.45 N ATOM 0 H LYS A 163 6.464 -0.351 -7.800 1.00 24.01 H new ATOM 0 HA LYS A 163 8.636 1.436 -8.178 1.00 71.01 H new ATOM 0 HB2 LYS A 163 6.362 0.673 -10.014 1.00 74.11 H new ATOM 0 HB3 LYS A 163 7.780 1.588 -10.484 1.00 74.11 H new ATOM 0 HG2 LYS A 163 9.204 -0.357 -9.722 1.00 43.54 H new ATOM 0 HG3 LYS A 163 7.730 -1.266 -9.447 1.00 43.54 H new ATOM 0 HD2 LYS A 163 8.616 -0.092 -12.107 1.00 2.00 H new ATOM 0 HD3 LYS A 163 8.748 -1.776 -11.641 1.00 2.00 H new ATOM 0 HE2 LYS A 163 6.269 -1.914 -11.446 1.00 2.12 H new ATOM 0 HE3 LYS A 163 6.140 -0.233 -11.921 1.00 2.12 H new ATOM 0 HZ1 LYS A 163 5.802 -1.700 -13.793 1.00 40.45 H new ATOM 0 HZ2 LYS A 163 7.206 -0.774 -14.026 1.00 40.45 H new ATOM 0 HZ3 LYS A 163 7.331 -2.404 -13.566 1.00 40.45 H new ATOM 2290 N GLU A 164 5.612 2.701 -7.900 1.00 43.34 N ATOM 2291 CA GLU A 164 4.868 3.950 -7.689 1.00 74.24 C ATOM 2292 C GLU A 164 5.500 4.702 -6.543 1.00 43.33 C ATOM 2293 O GLU A 164 5.860 5.849 -6.682 1.00 23.12 O ATOM 2294 CB GLU A 164 3.382 3.635 -7.346 1.00 50.42 C ATOM 2295 CG GLU A 164 2.372 4.836 -7.340 1.00 13.12 C ATOM 2296 CD GLU A 164 2.619 5.932 -6.288 1.00 43.22 C ATOM 2297 OE1 GLU A 164 2.520 5.648 -5.091 1.00 15.34 O ATOM 2298 OE2 GLU A 164 2.854 7.110 -6.669 1.00 20.30 O ATOM 0 H GLU A 164 5.046 1.858 -7.807 1.00 43.34 H new ATOM 0 HA GLU A 164 4.900 4.552 -8.597 1.00 74.24 H new ATOM 0 HB2 GLU A 164 3.021 2.895 -8.060 1.00 50.42 H new ATOM 0 HB3 GLU A 164 3.355 3.168 -6.362 1.00 50.42 H new ATOM 0 HG2 GLU A 164 2.386 5.300 -8.326 1.00 13.12 H new ATOM 0 HG3 GLU A 164 1.369 4.438 -7.190 1.00 13.12 H new ATOM 2305 N ILE A 165 5.680 4.018 -5.427 1.00 12.14 N ATOM 2306 CA ILE A 165 6.192 4.645 -4.234 1.00 4.34 C ATOM 2307 C ILE A 165 7.661 5.069 -4.393 1.00 3.14 C ATOM 2308 O ILE A 165 8.061 6.131 -3.928 1.00 33.03 O ATOM 2309 CB ILE A 165 5.972 3.759 -2.961 1.00 41.11 C ATOM 2310 CG1 ILE A 165 6.367 4.498 -1.693 1.00 53.41 C ATOM 2311 CG2 ILE A 165 6.717 2.437 -3.050 1.00 11.35 C ATOM 2312 CD1 ILE A 165 5.631 5.795 -1.509 1.00 4.03 C ATOM 0 H ILE A 165 5.476 3.023 -5.328 1.00 12.14 H new ATOM 0 HA ILE A 165 5.613 5.557 -4.085 1.00 4.34 H new ATOM 0 HB ILE A 165 4.905 3.541 -2.917 1.00 41.11 H new ATOM 0 HG12 ILE A 165 6.179 3.856 -0.833 1.00 53.41 H new ATOM 0 HG13 ILE A 165 7.439 4.696 -1.715 1.00 53.41 H new ATOM 0 HG21 ILE A 165 6.536 1.856 -2.146 1.00 11.35 H new ATOM 0 HG22 ILE A 165 6.365 1.879 -3.917 1.00 11.35 H new ATOM 0 HG23 ILE A 165 7.785 2.628 -3.151 1.00 11.35 H new ATOM 0 HD11 ILE A 165 5.959 6.272 -0.586 1.00 4.03 H new ATOM 0 HD12 ILE A 165 5.839 6.454 -2.352 1.00 4.03 H new ATOM 0 HD13 ILE A 165 4.560 5.601 -1.456 1.00 4.03 H new ATOM 2324 N ASP A 166 8.422 4.257 -5.071 1.00 22.23 N ATOM 2325 CA ASP A 166 9.847 4.545 -5.355 1.00 2.34 C ATOM 2326 C ASP A 166 9.980 5.866 -6.125 1.00 32.34 C ATOM 2327 O ASP A 166 10.670 6.787 -5.688 1.00 55.32 O ATOM 2328 CB ASP A 166 10.476 3.377 -6.151 1.00 1.32 C ATOM 2329 CG ASP A 166 11.941 3.578 -6.518 1.00 71.32 C ATOM 2330 OD1 ASP A 166 12.803 3.554 -5.619 1.00 44.21 O ATOM 2331 OD2 ASP A 166 12.245 3.740 -7.736 1.00 60.23 O ATOM 0 H ASP A 166 8.096 3.370 -5.454 1.00 22.23 H new ATOM 0 HA ASP A 166 10.383 4.646 -4.412 1.00 2.34 H new ATOM 0 HB2 ASP A 166 10.384 2.463 -5.564 1.00 1.32 H new ATOM 0 HB3 ASP A 166 9.903 3.227 -7.066 1.00 1.32 H new ATOM 2336 N GLU A 167 9.246 5.985 -7.215 1.00 52.11 N ATOM 2337 CA GLU A 167 9.248 7.209 -8.021 1.00 25.52 C ATOM 2338 C GLU A 167 8.529 8.347 -7.314 1.00 50.53 C ATOM 2339 O GLU A 167 8.809 9.494 -7.555 1.00 43.22 O ATOM 2340 CB GLU A 167 8.760 6.970 -9.466 1.00 12.01 C ATOM 2341 CG GLU A 167 7.358 6.409 -9.593 1.00 63.45 C ATOM 2342 CD GLU A 167 6.998 6.075 -11.019 1.00 74.20 C ATOM 2343 OE1 GLU A 167 7.250 4.928 -11.464 1.00 61.34 O ATOM 2344 OE2 GLU A 167 6.457 6.953 -11.727 1.00 70.31 O ATOM 0 H GLU A 167 8.635 5.250 -7.571 1.00 52.11 H new ATOM 0 HA GLU A 167 10.286 7.526 -8.125 1.00 25.52 H new ATOM 0 HB2 GLU A 167 8.806 7.915 -10.008 1.00 12.01 H new ATOM 0 HB3 GLU A 167 9.453 6.287 -9.957 1.00 12.01 H new ATOM 0 HG2 GLU A 167 7.272 5.512 -8.980 1.00 63.45 H new ATOM 0 HG3 GLU A 167 6.643 7.133 -9.201 1.00 63.45 H new ATOM 2351 N HIS A 168 7.578 8.011 -6.488 1.00 54.34 N ATOM 2352 CA HIS A 168 6.834 8.977 -5.669 1.00 32.02 C ATOM 2353 C HIS A 168 7.791 9.651 -4.657 1.00 15.11 C ATOM 2354 O HIS A 168 7.767 10.871 -4.481 1.00 10.03 O ATOM 2355 CB HIS A 168 5.744 8.202 -4.918 1.00 52.34 C ATOM 2356 CG HIS A 168 4.676 8.985 -4.241 1.00 74.11 C ATOM 2357 ND1 HIS A 168 3.349 8.718 -4.450 1.00 4.13 N ATOM 2358 CD2 HIS A 168 4.720 9.965 -3.310 1.00 24.22 C ATOM 2359 CE1 HIS A 168 2.623 9.493 -3.686 1.00 5.15 C ATOM 2360 NE2 HIS A 168 3.429 10.259 -2.985 1.00 71.22 N ATOM 0 H HIS A 168 7.279 7.046 -6.349 1.00 54.34 H new ATOM 0 HA HIS A 168 6.392 9.753 -6.294 1.00 32.02 H new ATOM 0 HB2 HIS A 168 5.265 7.526 -5.627 1.00 52.34 H new ATOM 0 HB3 HIS A 168 6.232 7.582 -4.166 1.00 52.34 H new ATOM 0 HD1 HIS A 168 2.983 8.023 -5.101 1.00 4.13 H new ATOM 0 HD2 HIS A 168 5.607 10.426 -2.902 1.00 24.22 H new ATOM 0 HE1 HIS A 168 1.544 9.502 -3.639 1.00 5.15 H new ATOM 2369 N LEU A 169 8.620 8.840 -4.005 1.00 53.50 N ATOM 2370 CA LEU A 169 9.560 9.326 -2.992 1.00 13.21 C ATOM 2371 C LEU A 169 10.752 10.011 -3.620 1.00 40.24 C ATOM 2372 O LEU A 169 11.170 11.067 -3.158 1.00 23.41 O ATOM 2373 CB LEU A 169 10.039 8.186 -2.090 1.00 1.43 C ATOM 2374 CG LEU A 169 8.977 7.464 -1.259 1.00 13.24 C ATOM 2375 CD1 LEU A 169 9.607 6.327 -0.479 1.00 33.31 C ATOM 2376 CD2 LEU A 169 8.283 8.426 -0.309 1.00 42.33 C ATOM 0 H LEU A 169 8.661 7.833 -4.161 1.00 53.50 H new ATOM 0 HA LEU A 169 9.022 10.055 -2.386 1.00 13.21 H new ATOM 0 HB2 LEU A 169 10.540 7.447 -2.715 1.00 1.43 H new ATOM 0 HB3 LEU A 169 10.789 8.586 -1.407 1.00 1.43 H new ATOM 0 HG LEU A 169 8.230 7.058 -1.941 1.00 13.24 H new ATOM 0 HD11 LEU A 169 8.841 5.821 0.109 1.00 33.31 H new ATOM 0 HD12 LEU A 169 10.061 5.618 -1.172 1.00 33.31 H new ATOM 0 HD13 LEU A 169 10.373 6.724 0.188 1.00 33.31 H new ATOM 0 HD21 LEU A 169 7.533 7.888 0.270 1.00 42.33 H new ATOM 0 HD22 LEU A 169 9.018 8.864 0.367 1.00 42.33 H new ATOM 0 HD23 LEU A 169 7.800 9.218 -0.882 1.00 42.33 H new ATOM 2388 N LEU A 170 11.322 9.408 -4.653 1.00 1.34 N ATOM 2389 CA LEU A 170 12.460 10.018 -5.336 1.00 45.55 C ATOM 2390 C LEU A 170 11.985 11.238 -6.062 1.00 65.25 C ATOM 2391 O LEU A 170 12.647 12.282 -6.068 1.00 4.22 O ATOM 2392 CB LEU A 170 13.036 9.062 -6.376 1.00 31.34 C ATOM 2393 CG LEU A 170 13.517 7.714 -5.886 1.00 12.32 C ATOM 2394 CD1 LEU A 170 13.968 6.879 -7.063 1.00 43.31 C ATOM 2395 CD2 LEU A 170 14.645 7.884 -4.888 1.00 1.53 C ATOM 0 H LEU A 170 11.023 8.510 -5.034 1.00 1.34 H new ATOM 0 HA LEU A 170 13.222 10.261 -4.595 1.00 45.55 H new ATOM 0 HB2 LEU A 170 12.274 8.892 -7.137 1.00 31.34 H new ATOM 0 HB3 LEU A 170 13.872 9.561 -6.867 1.00 31.34 H new ATOM 0 HG LEU A 170 12.696 7.203 -5.383 1.00 12.32 H new ATOM 0 HD11 LEU A 170 14.314 5.908 -6.709 1.00 43.31 H new ATOM 0 HD12 LEU A 170 13.134 6.738 -7.750 1.00 43.31 H new ATOM 0 HD13 LEU A 170 14.782 7.388 -7.580 1.00 43.31 H new ATOM 0 HD21 LEU A 170 14.979 6.904 -4.546 1.00 1.53 H new ATOM 0 HD22 LEU A 170 15.476 8.405 -5.363 1.00 1.53 H new ATOM 0 HD23 LEU A 170 14.292 8.465 -4.036 1.00 1.53 H new