USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 887 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 109 HIS : no HD1:sc= -0.0575 X(o=-0.17,f=-0.13) USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.118 K(o=-0.17,f=-1.9) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.455 K(o=0.37,f=-0.2) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.0163 K(o=0.37,f=-0.6) USER MOD Set 2.3: A 84 LYS NZ :NH3+ -161:sc= -0.0703 (180deg=-0.418) USER MOD Set 3.1: A 1 MET CE :methyl 175:sc= -0.0039 (180deg=0) USER MOD Set 3.2: A 79 SER OG : rot -140:sc= 0 USER MOD Set 4.1: A 25 ASN : amide:sc= -0.0722 X(o=0.15,f=-0.13) USER MOD Set 4.2: A 26 TYR OH : rot 110:sc= 0.222 USER MOD Set 5.1: A 19 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Set 5.2: A 33 THR OG1 : rot 127:sc= 0 USER MOD Set 6.1: A 3 LYS NZ :NH3+ 169:sc= 0.712 (180deg=0.613) USER MOD Set 6.2: A 101 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.86 (180deg=0.66) USER MOD Single : A 9 SER OG : rot -112:sc= -0.429 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0587 X(o=-0.059,f=-0.15) USER MOD Single : A 16 SER OG : rot -60:sc= 0.194 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0469 X(o=-0.047,f=0.038) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 70:sc= 0.928 USER MOD Single : A 47 MET CE :methyl -158:sc= -1.84! (180deg=-2.05) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= 0.779 (180deg=0.567) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.389 F(o=-1.5,f=-0.39) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 1.08 (180deg=0.914) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 62 SER OG : rot 180:sc= 0.135 USER MOD Single : A 64 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.8!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.294 F(o=-1.4,f=-0.29) USER MOD Single : A 71 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= 0.163 (180deg=0.0338) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 145:sc= 0.0121 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 82:sc= 0.951 USER MOD Single : A 93 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.7!) USER MOD Single : A 100 LYS NZ :NH3+ -148:sc= -0.0986 (180deg=-1.15) USER MOD Single : A 104 SER OG : rot 83:sc= 1.1 USER MOD Single : A 107 HIS : no HE2:sc= 0.426 K(o=0.43,f=-2.2) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.018 16.673 -0.102 1.00 63.02 N ATOM 2 CA MET A 1 3.699 16.181 1.259 1.00 74.34 C ATOM 3 C MET A 1 4.223 14.743 1.422 1.00 33.41 C ATOM 4 O MET A 1 4.991 14.460 2.348 1.00 53.53 O ATOM 5 CB MET A 1 2.160 16.276 1.509 1.00 72.13 C ATOM 6 CG MET A 1 1.712 16.085 2.972 1.00 25.21 C ATOM 7 SD MET A 1 1.884 14.389 3.575 1.00 52.44 S ATOM 8 CE MET A 1 1.406 14.581 5.293 1.00 74.44 C ATOM 0 H1 MET A 1 3.444 17.515 -0.310 1.00 63.02 H new ATOM 0 H2 MET A 1 5.027 16.920 -0.154 1.00 63.02 H new ATOM 0 H3 MET A 1 3.807 15.930 -0.798 1.00 63.02 H new ATOM 0 HA MET A 1 4.192 16.802 2.007 1.00 74.34 H new ATOM 0 HB2 MET A 1 1.813 17.251 1.165 1.00 72.13 H new ATOM 0 HB3 MET A 1 1.663 15.526 0.894 1.00 72.13 H new ATOM 0 HG2 MET A 1 2.296 16.748 3.610 1.00 25.21 H new ATOM 0 HG3 MET A 1 0.670 16.389 3.065 1.00 25.21 H new ATOM 0 HE1 MET A 1 1.377 13.603 5.774 1.00 74.44 H new ATOM 0 HE2 MET A 1 2.131 15.215 5.804 1.00 74.44 H new ATOM 0 HE3 MET A 1 0.419 15.041 5.347 1.00 74.44 H new ATOM 20 N GLY A 2 3.815 13.847 0.499 1.00 51.05 N ATOM 21 CA GLY A 2 4.241 12.442 0.527 1.00 71.33 C ATOM 22 C GLY A 2 3.498 11.648 1.595 1.00 30.02 C ATOM 23 O GLY A 2 3.830 11.739 2.775 1.00 22.12 O ATOM 0 H GLY A 2 3.190 14.077 -0.274 1.00 51.05 H new ATOM 0 HA2 GLY A 2 4.067 11.990 -0.449 1.00 71.33 H new ATOM 0 HA3 GLY A 2 5.313 12.391 0.716 1.00 71.33 H new ATOM 27 N LYS A 3 2.480 10.887 1.176 1.00 3.00 N ATOM 28 CA LYS A 3 1.625 10.094 2.079 1.00 1.22 C ATOM 29 C LYS A 3 1.241 8.784 1.379 1.00 1.53 C ATOM 30 O LYS A 3 0.848 8.806 0.212 1.00 13.15 O ATOM 31 CB LYS A 3 0.350 10.898 2.447 1.00 31.31 C ATOM 32 CG LYS A 3 -0.560 10.203 3.490 1.00 11.31 C ATOM 33 CD LYS A 3 -1.918 10.916 3.676 1.00 3.01 C ATOM 34 CE LYS A 3 -1.782 12.361 4.164 1.00 64.21 C ATOM 35 NZ LYS A 3 -3.112 12.977 4.378 1.00 22.31 N ATOM 0 H LYS A 3 2.221 10.801 0.193 1.00 3.00 H new ATOM 0 HA LYS A 3 2.169 9.871 2.997 1.00 1.22 H new ATOM 0 HB2 LYS A 3 0.648 11.873 2.833 1.00 31.31 H new ATOM 0 HB3 LYS A 3 -0.227 11.077 1.540 1.00 31.31 H new ATOM 0 HG2 LYS A 3 -0.736 9.173 3.181 1.00 11.31 H new ATOM 0 HG3 LYS A 3 -0.042 10.165 4.448 1.00 11.31 H new ATOM 0 HD2 LYS A 3 -2.457 10.909 2.729 1.00 3.01 H new ATOM 0 HD3 LYS A 3 -2.521 10.354 4.390 1.00 3.01 H new ATOM 0 HE2 LYS A 3 -1.214 12.382 5.094 1.00 64.21 H new ATOM 0 HE3 LYS A 3 -1.221 12.944 3.434 1.00 64.21 H new ATOM 0 HZ1 LYS A 3 -2.999 13.881 4.880 1.00 22.31 H new ATOM 0 HZ2 LYS A 3 -3.568 13.147 3.459 1.00 22.31 H new ATOM 0 HZ3 LYS A 3 -3.704 12.337 4.945 1.00 22.31 H new ATOM 49 N VAL A 4 1.320 7.644 2.082 1.00 10.31 N ATOM 50 CA VAL A 4 1.092 6.323 1.460 1.00 51.53 C ATOM 51 C VAL A 4 0.285 5.395 2.384 1.00 71.32 C ATOM 52 O VAL A 4 0.424 5.452 3.601 1.00 52.30 O ATOM 53 CB VAL A 4 2.453 5.662 1.036 1.00 1.24 C ATOM 54 CG1 VAL A 4 3.325 5.304 2.244 1.00 73.21 C ATOM 55 CG2 VAL A 4 2.235 4.451 0.103 1.00 34.41 C ATOM 0 H VAL A 4 1.539 7.606 3.078 1.00 10.31 H new ATOM 0 HA VAL A 4 0.498 6.479 0.559 1.00 51.53 H new ATOM 0 HB VAL A 4 3.003 6.411 0.466 1.00 1.24 H new ATOM 0 HG11 VAL A 4 4.254 4.850 1.900 1.00 73.21 H new ATOM 0 HG12 VAL A 4 3.550 6.207 2.811 1.00 73.21 H new ATOM 0 HG13 VAL A 4 2.791 4.599 2.882 1.00 73.21 H new ATOM 0 HG21 VAL A 4 3.200 4.022 -0.168 1.00 34.41 H new ATOM 0 HG22 VAL A 4 1.635 3.700 0.616 1.00 34.41 H new ATOM 0 HG23 VAL A 4 1.716 4.775 -0.799 1.00 34.41 H new ATOM 65 N LEU A 5 -0.602 4.575 1.782 1.00 23.33 N ATOM 66 CA LEU A 5 -1.370 3.542 2.509 1.00 24.31 C ATOM 67 C LEU A 5 -0.742 2.168 2.247 1.00 71.24 C ATOM 68 O LEU A 5 -0.875 1.614 1.150 1.00 43.23 O ATOM 69 CB LEU A 5 -2.866 3.537 2.084 1.00 13.14 C ATOM 70 CG LEU A 5 -3.793 2.511 2.832 1.00 30.14 C ATOM 71 CD1 LEU A 5 -3.840 2.768 4.355 1.00 42.15 C ATOM 72 CD2 LEU A 5 -5.214 2.482 2.218 1.00 64.53 C ATOM 0 H LEU A 5 -0.805 4.610 0.783 1.00 23.33 H new ATOM 0 HA LEU A 5 -1.333 3.770 3.574 1.00 24.31 H new ATOM 0 HB2 LEU A 5 -3.269 4.538 2.236 1.00 13.14 H new ATOM 0 HB3 LEU A 5 -2.918 3.331 1.015 1.00 13.14 H new ATOM 0 HG LEU A 5 -3.351 1.524 2.692 1.00 30.14 H new ATOM 0 HD11 LEU A 5 -4.493 2.034 4.828 1.00 42.15 H new ATOM 0 HD12 LEU A 5 -2.836 2.681 4.770 1.00 42.15 H new ATOM 0 HD13 LEU A 5 -4.225 3.770 4.543 1.00 42.15 H new ATOM 0 HD21 LEU A 5 -5.829 1.763 2.758 1.00 64.53 H new ATOM 0 HD22 LEU A 5 -5.663 3.472 2.293 1.00 64.53 H new ATOM 0 HD23 LEU A 5 -5.151 2.191 1.170 1.00 64.53 H new ATOM 84 N LEU A 6 -0.026 1.659 3.246 1.00 74.25 N ATOM 85 CA LEU A 6 0.558 0.318 3.220 1.00 52.23 C ATOM 86 C LEU A 6 -0.533 -0.714 3.600 1.00 32.21 C ATOM 87 O LEU A 6 -0.780 -0.978 4.785 1.00 60.13 O ATOM 88 CB LEU A 6 1.771 0.279 4.198 1.00 11.00 C ATOM 89 CG LEU A 6 2.604 -1.040 4.242 1.00 12.34 C ATOM 90 CD1 LEU A 6 3.192 -1.397 2.859 1.00 23.14 C ATOM 91 CD2 LEU A 6 3.705 -0.953 5.329 1.00 63.13 C ATOM 0 H LEU A 6 0.168 2.171 4.107 1.00 74.25 H new ATOM 0 HA LEU A 6 0.922 0.066 2.224 1.00 52.23 H new ATOM 0 HB2 LEU A 6 2.444 1.096 3.936 1.00 11.00 H new ATOM 0 HB3 LEU A 6 1.402 0.480 5.204 1.00 11.00 H new ATOM 0 HG LEU A 6 1.929 -1.852 4.511 1.00 12.34 H new ATOM 0 HD11 LEU A 6 3.764 -2.322 2.935 1.00 23.14 H new ATOM 0 HD12 LEU A 6 2.382 -1.529 2.142 1.00 23.14 H new ATOM 0 HD13 LEU A 6 3.846 -0.592 2.523 1.00 23.14 H new ATOM 0 HD21 LEU A 6 4.275 -1.882 5.345 1.00 63.13 H new ATOM 0 HD22 LEU A 6 4.373 -0.121 5.105 1.00 63.13 H new ATOM 0 HD23 LEU A 6 3.243 -0.795 6.303 1.00 63.13 H new ATOM 103 N VAL A 7 -1.215 -1.232 2.565 1.00 73.20 N ATOM 104 CA VAL A 7 -2.243 -2.277 2.691 1.00 53.12 C ATOM 105 C VAL A 7 -1.570 -3.651 2.813 1.00 42.03 C ATOM 106 O VAL A 7 -0.778 -4.047 1.947 1.00 42.40 O ATOM 107 CB VAL A 7 -3.226 -2.275 1.459 1.00 50.12 C ATOM 108 CG1 VAL A 7 -4.281 -3.407 1.563 1.00 64.54 C ATOM 109 CG2 VAL A 7 -3.897 -0.894 1.295 1.00 13.40 C ATOM 0 H VAL A 7 -1.065 -0.931 1.602 1.00 73.20 H new ATOM 0 HA VAL A 7 -2.827 -2.068 3.587 1.00 53.12 H new ATOM 0 HB VAL A 7 -2.635 -2.472 0.565 1.00 50.12 H new ATOM 0 HG11 VAL A 7 -4.939 -3.372 0.695 1.00 64.54 H new ATOM 0 HG12 VAL A 7 -3.776 -4.373 1.597 1.00 64.54 H new ATOM 0 HG13 VAL A 7 -4.870 -3.273 2.471 1.00 64.54 H new ATOM 0 HG21 VAL A 7 -4.571 -0.916 0.439 1.00 13.40 H new ATOM 0 HG22 VAL A 7 -4.462 -0.655 2.196 1.00 13.40 H new ATOM 0 HG23 VAL A 7 -3.132 -0.134 1.135 1.00 13.40 H new ATOM 119 N ILE A 8 -1.894 -4.357 3.904 1.00 33.25 N ATOM 120 CA ILE A 8 -1.312 -5.661 4.253 1.00 41.12 C ATOM 121 C ILE A 8 -2.449 -6.637 4.579 1.00 55.55 C ATOM 122 O ILE A 8 -3.385 -6.283 5.311 1.00 74.02 O ATOM 123 CB ILE A 8 -0.350 -5.539 5.501 1.00 31.22 C ATOM 124 CG1 ILE A 8 0.675 -4.381 5.280 1.00 62.44 C ATOM 125 CG2 ILE A 8 0.370 -6.885 5.808 1.00 24.31 C ATOM 126 CD1 ILE A 8 1.624 -4.134 6.419 1.00 72.53 C ATOM 0 H ILE A 8 -2.582 -4.032 4.583 1.00 33.25 H new ATOM 0 HA ILE A 8 -0.727 -6.023 3.407 1.00 41.12 H new ATOM 0 HB ILE A 8 -0.957 -5.301 6.375 1.00 31.22 H new ATOM 0 HG12 ILE A 8 1.257 -4.600 4.385 1.00 62.44 H new ATOM 0 HG13 ILE A 8 0.123 -3.462 5.084 1.00 62.44 H new ATOM 0 HG21 ILE A 8 1.022 -6.760 6.672 1.00 24.31 H new ATOM 0 HG22 ILE A 8 -0.372 -7.654 6.022 1.00 24.31 H new ATOM 0 HG23 ILE A 8 0.965 -7.185 4.945 1.00 24.31 H new ATOM 0 HD11 ILE A 8 2.292 -3.311 6.164 1.00 72.53 H new ATOM 0 HD12 ILE A 8 1.058 -3.878 7.315 1.00 72.53 H new ATOM 0 HD13 ILE A 8 2.211 -5.033 6.605 1.00 72.53 H new ATOM 138 N SER A 9 -2.357 -7.851 4.028 1.00 63.11 N ATOM 139 CA SER A 9 -3.294 -8.942 4.314 1.00 41.13 C ATOM 140 C SER A 9 -2.568 -10.284 4.170 1.00 40.34 C ATOM 141 O SER A 9 -1.671 -10.430 3.322 1.00 21.22 O ATOM 142 CB SER A 9 -4.519 -8.884 3.372 1.00 44.21 C ATOM 143 OG SER A 9 -5.463 -9.900 3.666 1.00 35.51 O ATOM 0 H SER A 9 -1.624 -8.106 3.366 1.00 63.11 H new ATOM 0 HA SER A 9 -3.659 -8.835 5.336 1.00 41.13 H new ATOM 0 HB2 SER A 9 -4.997 -7.908 3.459 1.00 44.21 H new ATOM 0 HB3 SER A 9 -4.187 -8.985 2.339 1.00 44.21 H new ATOM 0 HG SER A 9 -5.491 -10.544 2.928 1.00 35.51 H new ATOM 149 N THR A 10 -2.955 -11.246 5.016 1.00 13.45 N ATOM 150 CA THR A 10 -2.443 -12.620 4.967 1.00 1.34 C ATOM 151 C THR A 10 -3.050 -13.348 3.745 1.00 64.22 C ATOM 152 O THR A 10 -2.383 -14.151 3.075 1.00 10.03 O ATOM 153 CB THR A 10 -2.782 -13.374 6.301 1.00 10.11 C ATOM 154 OG1 THR A 10 -2.391 -12.565 7.430 1.00 50.33 O ATOM 155 CG2 THR A 10 -2.079 -14.743 6.396 1.00 41.14 C ATOM 0 H THR A 10 -3.637 -11.092 5.759 1.00 13.45 H new ATOM 0 HA THR A 10 -1.358 -12.603 4.861 1.00 1.34 H new ATOM 0 HB THR A 10 -3.858 -13.549 6.308 1.00 10.11 H new ATOM 0 HG1 THR A 10 -2.606 -13.038 8.261 1.00 50.33 H new ATOM 0 HG21 THR A 10 -2.346 -15.225 7.337 1.00 41.14 H new ATOM 0 HG22 THR A 10 -2.394 -15.372 5.564 1.00 41.14 H new ATOM 0 HG23 THR A 10 -0.999 -14.601 6.355 1.00 41.14 H new ATOM 163 N ASP A 11 -4.329 -13.026 3.469 1.00 62.24 N ATOM 164 CA ASP A 11 -5.057 -13.490 2.285 1.00 54.43 C ATOM 165 C ASP A 11 -4.621 -12.682 1.052 1.00 12.25 C ATOM 166 O ASP A 11 -5.039 -11.530 0.874 1.00 33.33 O ATOM 167 CB ASP A 11 -6.586 -13.338 2.488 1.00 33.22 C ATOM 168 CG ASP A 11 -7.198 -14.331 3.485 1.00 42.53 C ATOM 169 OD1 ASP A 11 -7.135 -14.085 4.704 1.00 23.31 O ATOM 170 OD2 ASP A 11 -7.765 -15.354 3.050 1.00 51.04 O ATOM 0 H ASP A 11 -4.889 -12.427 4.076 1.00 62.24 H new ATOM 0 HA ASP A 11 -4.826 -14.544 2.131 1.00 54.43 H new ATOM 0 HB2 ASP A 11 -6.795 -12.324 2.830 1.00 33.22 H new ATOM 0 HB3 ASP A 11 -7.081 -13.458 1.525 1.00 33.22 H new ATOM 175 N THR A 12 -3.769 -13.295 0.216 1.00 12.13 N ATOM 176 CA THR A 12 -3.400 -12.762 -1.108 1.00 23.41 C ATOM 177 C THR A 12 -4.635 -12.677 -2.028 1.00 65.14 C ATOM 178 O THR A 12 -4.703 -11.834 -2.924 1.00 53.33 O ATOM 179 CB THR A 12 -2.315 -13.665 -1.767 1.00 2.51 C ATOM 180 OG1 THR A 12 -2.796 -15.021 -1.835 1.00 62.23 O ATOM 181 CG2 THR A 12 -0.986 -13.636 -0.985 1.00 74.44 C ATOM 0 H THR A 12 -3.313 -14.180 0.439 1.00 12.13 H new ATOM 0 HA THR A 12 -2.998 -11.758 -0.970 1.00 23.41 H new ATOM 0 HB THR A 12 -2.124 -13.276 -2.767 1.00 2.51 H new ATOM 0 HG1 THR A 12 -2.115 -15.589 -2.251 1.00 62.23 H new ATOM 0 HG21 THR A 12 -0.259 -14.279 -1.480 1.00 74.44 H new ATOM 0 HG22 THR A 12 -0.605 -12.615 -0.953 1.00 74.44 H new ATOM 0 HG23 THR A 12 -1.154 -13.993 0.031 1.00 74.44 H new ATOM 189 N ASN A 13 -5.602 -13.575 -1.761 1.00 44.31 N ATOM 190 CA ASN A 13 -6.891 -13.658 -2.468 1.00 35.40 C ATOM 191 C ASN A 13 -7.676 -12.347 -2.298 1.00 44.22 C ATOM 192 O ASN A 13 -8.175 -11.770 -3.271 1.00 71.43 O ATOM 193 CB ASN A 13 -7.719 -14.844 -1.897 1.00 22.41 C ATOM 194 CG ASN A 13 -6.960 -16.177 -1.868 1.00 23.34 C ATOM 195 OD1 ASN A 13 -6.111 -16.456 -2.717 1.00 41.12 O ATOM 196 ND2 ASN A 13 -7.256 -17.007 -0.876 1.00 14.12 N ATOM 0 H ASN A 13 -5.505 -14.279 -1.030 1.00 44.31 H new ATOM 0 HA ASN A 13 -6.705 -13.820 -3.530 1.00 35.40 H new ATOM 0 HB2 ASN A 13 -8.038 -14.597 -0.884 1.00 22.41 H new ATOM 0 HB3 ASN A 13 -8.622 -14.965 -2.495 1.00 22.41 H new ATOM 0 HD21 ASN A 13 -6.776 -17.904 -0.801 1.00 14.12 H new ATOM 0 HD22 ASN A 13 -7.963 -16.748 -0.188 1.00 14.12 H new ATOM 203 N ILE A 14 -7.740 -11.877 -1.039 1.00 72.21 N ATOM 204 CA ILE A 14 -8.460 -10.651 -0.669 1.00 73.13 C ATOM 205 C ILE A 14 -7.724 -9.409 -1.213 1.00 74.54 C ATOM 206 O ILE A 14 -8.366 -8.470 -1.685 1.00 4.40 O ATOM 207 CB ILE A 14 -8.650 -10.571 0.892 1.00 15.42 C ATOM 208 CG1 ILE A 14 -9.504 -11.782 1.412 1.00 11.15 C ATOM 209 CG2 ILE A 14 -9.266 -9.227 1.332 1.00 61.21 C ATOM 210 CD1 ILE A 14 -10.916 -11.894 0.859 1.00 42.12 C ATOM 0 H ILE A 14 -7.291 -12.341 -0.249 1.00 72.21 H new ATOM 0 HA ILE A 14 -9.451 -10.676 -1.122 1.00 73.13 H new ATOM 0 HB ILE A 14 -7.660 -10.630 1.344 1.00 15.42 H new ATOM 0 HG12 ILE A 14 -8.970 -12.703 1.178 1.00 11.15 H new ATOM 0 HG13 ILE A 14 -9.566 -11.716 2.498 1.00 11.15 H new ATOM 0 HG21 ILE A 14 -9.379 -9.216 2.416 1.00 61.21 H new ATOM 0 HG22 ILE A 14 -8.612 -8.410 1.027 1.00 61.21 H new ATOM 0 HG23 ILE A 14 -10.243 -9.104 0.864 1.00 61.21 H new ATOM 0 HD11 ILE A 14 -11.407 -12.767 1.290 1.00 42.12 H new ATOM 0 HD12 ILE A 14 -11.479 -10.997 1.116 1.00 42.12 H new ATOM 0 HD13 ILE A 14 -10.875 -11.999 -0.225 1.00 42.12 H new ATOM 222 N ILE A 15 -6.370 -9.440 -1.172 1.00 53.13 N ATOM 223 CA ILE A 15 -5.510 -8.389 -1.774 1.00 3.50 C ATOM 224 C ILE A 15 -5.822 -8.229 -3.272 1.00 2.13 C ATOM 225 O ILE A 15 -5.958 -7.110 -3.755 1.00 65.13 O ATOM 226 CB ILE A 15 -3.976 -8.720 -1.581 1.00 4.35 C ATOM 227 CG1 ILE A 15 -3.625 -8.723 -0.069 1.00 73.35 C ATOM 228 CG2 ILE A 15 -3.046 -7.753 -2.371 1.00 24.31 C ATOM 229 CD1 ILE A 15 -2.219 -9.166 0.272 1.00 2.44 C ATOM 0 H ILE A 15 -5.844 -10.190 -0.723 1.00 53.13 H new ATOM 0 HA ILE A 15 -5.727 -7.453 -1.260 1.00 3.50 H new ATOM 0 HB ILE A 15 -3.800 -9.713 -1.994 1.00 4.35 H new ATOM 0 HG12 ILE A 15 -3.776 -7.717 0.323 1.00 73.35 H new ATOM 0 HG13 ILE A 15 -4.328 -9.375 0.448 1.00 73.35 H new ATOM 0 HG21 ILE A 15 -2.005 -8.029 -2.200 1.00 24.31 H new ATOM 0 HG22 ILE A 15 -3.270 -7.822 -3.436 1.00 24.31 H new ATOM 0 HG23 ILE A 15 -3.211 -6.731 -2.031 1.00 24.31 H new ATOM 0 HD11 ILE A 15 -2.079 -9.131 1.352 1.00 2.44 H new ATOM 0 HD12 ILE A 15 -2.063 -10.185 -0.082 1.00 2.44 H new ATOM 0 HD13 ILE A 15 -1.501 -8.501 -0.209 1.00 2.44 H new ATOM 241 N SER A 16 -5.977 -9.376 -3.968 1.00 34.34 N ATOM 242 CA SER A 16 -6.287 -9.422 -5.407 1.00 1.12 C ATOM 243 C SER A 16 -7.645 -8.766 -5.687 1.00 45.13 C ATOM 244 O SER A 16 -7.731 -7.841 -6.495 1.00 54.34 O ATOM 245 CB SER A 16 -6.283 -10.891 -5.902 1.00 41.54 C ATOM 246 OG SER A 16 -6.516 -10.979 -7.297 1.00 24.34 O ATOM 0 H SER A 16 -5.889 -10.299 -3.542 1.00 34.34 H new ATOM 0 HA SER A 16 -5.522 -8.866 -5.948 1.00 1.12 H new ATOM 0 HB2 SER A 16 -5.324 -11.352 -5.664 1.00 41.54 H new ATOM 0 HB3 SER A 16 -7.049 -11.456 -5.370 1.00 41.54 H new ATOM 0 HG SER A 16 -7.390 -10.589 -7.508 1.00 24.34 H new ATOM 252 N SER A 17 -8.672 -9.237 -4.953 1.00 65.15 N ATOM 253 CA SER A 17 -10.069 -8.792 -5.084 1.00 71.23 C ATOM 254 C SER A 17 -10.187 -7.257 -4.974 1.00 15.22 C ATOM 255 O SER A 17 -10.695 -6.597 -5.885 1.00 41.22 O ATOM 256 CB SER A 17 -10.917 -9.485 -3.988 1.00 14.45 C ATOM 257 OG SER A 17 -12.276 -9.096 -4.034 1.00 22.51 O ATOM 0 H SER A 17 -8.548 -9.953 -4.237 1.00 65.15 H new ATOM 0 HA SER A 17 -10.439 -9.071 -6.071 1.00 71.23 H new ATOM 0 HB2 SER A 17 -10.847 -10.566 -4.107 1.00 14.45 H new ATOM 0 HB3 SER A 17 -10.506 -9.245 -3.008 1.00 14.45 H new ATOM 0 HG SER A 17 -12.773 -9.558 -3.327 1.00 22.51 H new ATOM 263 N VAL A 18 -9.640 -6.716 -3.874 1.00 45.31 N ATOM 264 CA VAL A 18 -9.687 -5.278 -3.554 1.00 2.13 C ATOM 265 C VAL A 18 -8.883 -4.445 -4.566 1.00 20.51 C ATOM 266 O VAL A 18 -9.358 -3.404 -5.021 1.00 61.10 O ATOM 267 CB VAL A 18 -9.143 -5.030 -2.101 1.00 52.42 C ATOM 268 CG1 VAL A 18 -9.056 -3.522 -1.758 1.00 21.45 C ATOM 269 CG2 VAL A 18 -10.004 -5.801 -1.075 1.00 1.33 C ATOM 0 H VAL A 18 -9.147 -7.270 -3.173 1.00 45.31 H new ATOM 0 HA VAL A 18 -10.728 -4.959 -3.611 1.00 2.13 H new ATOM 0 HB VAL A 18 -8.123 -5.411 -2.053 1.00 52.42 H new ATOM 0 HG11 VAL A 18 -8.675 -3.401 -0.744 1.00 21.45 H new ATOM 0 HG12 VAL A 18 -8.384 -3.027 -2.460 1.00 21.45 H new ATOM 0 HG13 VAL A 18 -10.048 -3.075 -1.829 1.00 21.45 H new ATOM 0 HG21 VAL A 18 -9.620 -5.623 -0.071 1.00 1.33 H new ATOM 0 HG22 VAL A 18 -11.036 -5.457 -1.135 1.00 1.33 H new ATOM 0 HG23 VAL A 18 -9.964 -6.868 -1.295 1.00 1.33 H new ATOM 279 N GLN A 19 -7.678 -4.938 -4.910 1.00 63.02 N ATOM 280 CA GLN A 19 -6.744 -4.264 -5.838 1.00 5.31 C ATOM 281 C GLN A 19 -7.405 -4.002 -7.203 1.00 12.43 C ATOM 282 O GLN A 19 -7.373 -2.878 -7.707 1.00 31.11 O ATOM 283 CB GLN A 19 -5.481 -5.143 -6.011 1.00 25.40 C ATOM 284 CG GLN A 19 -4.407 -4.611 -6.977 1.00 21.14 C ATOM 285 CD GLN A 19 -3.211 -5.561 -7.142 1.00 52.41 C ATOM 286 OE1 GLN A 19 -2.826 -6.266 -6.077 1.00 30.42 O flip ATOM 287 NE2 GLN A 19 -2.609 -5.633 -8.214 1.00 34.23 N flip ATOM 0 H GLN A 19 -7.320 -5.823 -4.550 1.00 63.02 H new ATOM 0 HA GLN A 19 -6.466 -3.298 -5.417 1.00 5.31 H new ATOM 0 HB2 GLN A 19 -5.023 -5.280 -5.032 1.00 25.40 H new ATOM 0 HB3 GLN A 19 -5.794 -6.128 -6.357 1.00 25.40 H new ATOM 0 HG2 GLN A 19 -4.861 -4.437 -7.953 1.00 21.14 H new ATOM 0 HG3 GLN A 19 -4.049 -3.647 -6.615 1.00 21.14 H new ATOM 0 HE21 GLN A 19 -2.924 -5.083 -9.014 1.00 34.23 H new ATOM 0 HE22 GLN A 19 -1.796 -6.242 -8.302 1.00 34.23 H new ATOM 296 N GLU A 20 -8.045 -5.051 -7.751 1.00 62.03 N ATOM 297 CA GLU A 20 -8.727 -5.006 -9.060 1.00 53.34 C ATOM 298 C GLU A 20 -9.884 -3.994 -9.047 1.00 42.45 C ATOM 299 O GLU A 20 -10.018 -3.184 -9.967 1.00 21.43 O ATOM 300 CB GLU A 20 -9.258 -6.416 -9.423 1.00 14.31 C ATOM 301 CG GLU A 20 -8.158 -7.487 -9.598 1.00 35.25 C ATOM 302 CD GLU A 20 -8.726 -8.897 -9.804 1.00 65.43 C ATOM 303 OE1 GLU A 20 -9.157 -9.215 -10.929 1.00 14.44 O ATOM 304 OE2 GLU A 20 -8.771 -9.686 -8.837 1.00 12.35 O ATOM 0 H GLU A 20 -8.105 -5.962 -7.295 1.00 62.03 H new ATOM 0 HA GLU A 20 -8.006 -4.685 -9.812 1.00 53.34 H new ATOM 0 HB2 GLU A 20 -9.946 -6.743 -8.644 1.00 14.31 H new ATOM 0 HB3 GLU A 20 -9.832 -6.348 -10.347 1.00 14.31 H new ATOM 0 HG2 GLU A 20 -7.534 -7.224 -10.452 1.00 35.25 H new ATOM 0 HG3 GLU A 20 -7.513 -7.485 -8.719 1.00 35.25 H new ATOM 311 N ARG A 21 -10.690 -4.040 -7.968 1.00 25.03 N ATOM 312 CA ARG A 21 -11.867 -3.172 -7.806 1.00 64.13 C ATOM 313 C ARG A 21 -11.453 -1.701 -7.629 1.00 12.23 C ATOM 314 O ARG A 21 -12.104 -0.808 -8.156 1.00 4.35 O ATOM 315 CB ARG A 21 -12.719 -3.628 -6.590 1.00 22.11 C ATOM 316 CG ARG A 21 -13.297 -5.056 -6.702 1.00 50.12 C ATOM 317 CD ARG A 21 -14.198 -5.261 -7.929 1.00 1.45 C ATOM 318 NE ARG A 21 -14.739 -6.629 -7.989 1.00 50.42 N ATOM 319 CZ ARG A 21 -15.229 -7.226 -9.091 1.00 51.35 C ATOM 320 NH1 ARG A 21 -15.261 -6.591 -10.267 1.00 2.44 N ATOM 321 NH2 ARG A 21 -15.687 -8.465 -9.005 1.00 43.21 N ATOM 0 H ARG A 21 -10.542 -4.679 -7.187 1.00 25.03 H new ATOM 0 HA ARG A 21 -12.466 -3.256 -8.713 1.00 64.13 H new ATOM 0 HB2 ARG A 21 -12.105 -3.570 -5.692 1.00 22.11 H new ATOM 0 HB3 ARG A 21 -13.543 -2.927 -6.459 1.00 22.11 H new ATOM 0 HG2 ARG A 21 -12.474 -5.770 -6.743 1.00 50.12 H new ATOM 0 HG3 ARG A 21 -13.868 -5.279 -5.801 1.00 50.12 H new ATOM 0 HD2 ARG A 21 -15.020 -4.546 -7.899 1.00 1.45 H new ATOM 0 HD3 ARG A 21 -13.629 -5.055 -8.836 1.00 1.45 H new ATOM 0 HE ARG A 21 -14.743 -7.169 -7.124 1.00 50.42 H new ATOM 0 HH11 ARG A 21 -14.910 -5.636 -10.341 1.00 2.44 H new ATOM 0 HH12 ARG A 21 -15.636 -7.061 -11.091 1.00 2.44 H new ATOM 0 HH21 ARG A 21 -15.666 -8.956 -8.111 1.00 43.21 H new ATOM 0 HH22 ARG A 21 -16.061 -8.929 -9.833 1.00 43.21 H new ATOM 335 N ALA A 22 -10.343 -1.478 -6.901 1.00 42.25 N ATOM 336 CA ALA A 22 -9.868 -0.132 -6.536 1.00 20.14 C ATOM 337 C ALA A 22 -9.183 0.567 -7.726 1.00 53.21 C ATOM 338 O ALA A 22 -9.346 1.769 -7.914 1.00 1.13 O ATOM 339 CB ALA A 22 -8.926 -0.216 -5.324 1.00 43.51 C ATOM 0 H ALA A 22 -9.749 -2.229 -6.549 1.00 42.25 H new ATOM 0 HA ALA A 22 -10.733 0.473 -6.263 1.00 20.14 H new ATOM 0 HB1 ALA A 22 -8.580 0.784 -5.062 1.00 43.51 H new ATOM 0 HB2 ALA A 22 -9.460 -0.649 -4.478 1.00 43.51 H new ATOM 0 HB3 ALA A 22 -8.069 -0.843 -5.572 1.00 43.51 H new ATOM 345 N LYS A 23 -8.425 -0.206 -8.530 1.00 32.50 N ATOM 346 CA LYS A 23 -7.721 0.317 -9.725 1.00 11.23 C ATOM 347 C LYS A 23 -8.695 0.535 -10.897 1.00 23.30 C ATOM 348 O LYS A 23 -8.493 1.437 -11.718 1.00 22.24 O ATOM 349 CB LYS A 23 -6.584 -0.644 -10.158 1.00 2.20 C ATOM 350 CG LYS A 23 -5.437 -0.805 -9.128 1.00 53.42 C ATOM 351 CD LYS A 23 -4.321 -1.753 -9.629 1.00 11.32 C ATOM 352 CE LYS A 23 -3.639 -1.234 -10.905 1.00 23.02 C ATOM 353 NZ LYS A 23 -2.645 -2.198 -11.439 1.00 51.13 N ATOM 0 H LYS A 23 -8.282 -1.204 -8.373 1.00 32.50 H new ATOM 0 HA LYS A 23 -7.287 1.280 -9.453 1.00 11.23 H new ATOM 0 HB2 LYS A 23 -7.014 -1.626 -10.357 1.00 2.20 H new ATOM 0 HB3 LYS A 23 -6.162 -0.284 -11.096 1.00 2.20 H new ATOM 0 HG2 LYS A 23 -5.008 0.173 -8.910 1.00 53.42 H new ATOM 0 HG3 LYS A 23 -5.844 -1.190 -8.193 1.00 53.42 H new ATOM 0 HD2 LYS A 23 -3.574 -1.876 -8.845 1.00 11.32 H new ATOM 0 HD3 LYS A 23 -4.745 -2.738 -9.822 1.00 11.32 H new ATOM 0 HE2 LYS A 23 -4.395 -1.036 -11.665 1.00 23.02 H new ATOM 0 HE3 LYS A 23 -3.145 -0.286 -10.692 1.00 23.02 H new ATOM 0 HZ1 LYS A 23 -2.210 -1.807 -12.299 1.00 51.13 H new ATOM 0 HZ2 LYS A 23 -1.908 -2.368 -10.725 1.00 51.13 H new ATOM 0 HZ3 LYS A 23 -3.119 -3.095 -11.668 1.00 51.13 H new ATOM 367 N HIS A 24 -9.736 -0.318 -10.981 1.00 70.32 N ATOM 368 CA HIS A 24 -10.778 -0.200 -12.016 1.00 51.14 C ATOM 369 C HIS A 24 -11.642 1.036 -11.732 1.00 31.23 C ATOM 370 O HIS A 24 -11.809 1.903 -12.598 1.00 41.44 O ATOM 371 CB HIS A 24 -11.654 -1.480 -12.064 1.00 61.11 C ATOM 372 CG HIS A 24 -12.680 -1.513 -13.178 1.00 73.12 C ATOM 373 ND1 HIS A 24 -12.515 -2.248 -14.332 1.00 42.33 N ATOM 374 CD2 HIS A 24 -13.906 -0.936 -13.290 1.00 23.12 C ATOM 375 CE1 HIS A 24 -13.580 -2.116 -15.094 1.00 30.25 C ATOM 376 NE2 HIS A 24 -14.435 -1.330 -14.485 1.00 63.23 N ATOM 0 H HIS A 24 -9.876 -1.099 -10.340 1.00 70.32 H new ATOM 0 HA HIS A 24 -10.300 -0.087 -12.989 1.00 51.14 H new ATOM 0 HB2 HIS A 24 -11.000 -2.346 -12.167 1.00 61.11 H new ATOM 0 HB3 HIS A 24 -12.172 -1.584 -11.110 1.00 61.11 H new ATOM 0 HD2 HIS A 24 -14.375 -0.286 -12.567 1.00 23.12 H new ATOM 0 HE1 HIS A 24 -13.725 -2.578 -16.059 1.00 30.25 H new ATOM 0 HE2 HIS A 24 -15.349 -1.057 -14.846 1.00 63.23 H new ATOM 385 N ASN A 25 -12.170 1.091 -10.497 1.00 74.45 N ATOM 386 CA ASN A 25 -13.066 2.168 -10.025 1.00 1.12 C ATOM 387 C ASN A 25 -12.329 3.521 -9.977 1.00 72.44 C ATOM 388 O ASN A 25 -12.937 4.572 -10.204 1.00 0.33 O ATOM 389 CB ASN A 25 -13.633 1.800 -8.621 1.00 63.42 C ATOM 390 CG ASN A 25 -14.738 2.733 -8.105 1.00 71.32 C ATOM 391 OD1 ASN A 25 -15.507 3.308 -8.880 1.00 11.50 O ATOM 392 ND2 ASN A 25 -14.842 2.866 -6.793 1.00 60.23 N ATOM 0 H ASN A 25 -11.986 0.381 -9.788 1.00 74.45 H new ATOM 0 HA ASN A 25 -13.893 2.268 -10.728 1.00 1.12 H new ATOM 0 HB2 ASN A 25 -14.024 0.783 -8.658 1.00 63.42 H new ATOM 0 HB3 ASN A 25 -12.813 1.800 -7.903 1.00 63.42 H new ATOM 0 HD21 ASN A 25 -15.573 3.457 -6.397 1.00 60.23 H new ATOM 0 HD22 ASN A 25 -14.191 2.378 -6.178 1.00 60.23 H new ATOM 399 N TYR A 26 -11.011 3.483 -9.681 1.00 1.15 N ATOM 400 CA TYR A 26 -10.152 4.688 -9.630 1.00 14.34 C ATOM 401 C TYR A 26 -8.948 4.525 -10.592 1.00 12.32 C ATOM 402 O TYR A 26 -7.842 4.185 -10.151 1.00 14.45 O ATOM 403 CB TYR A 26 -9.671 4.950 -8.171 1.00 13.13 C ATOM 404 CG TYR A 26 -10.809 4.966 -7.142 1.00 33.02 C ATOM 405 CD1 TYR A 26 -11.750 5.993 -7.139 1.00 75.24 C ATOM 406 CD2 TYR A 26 -10.956 3.945 -6.190 1.00 74.41 C ATOM 407 CE1 TYR A 26 -12.797 5.998 -6.244 1.00 52.34 C ATOM 408 CE2 TYR A 26 -11.998 3.956 -5.288 1.00 31.23 C ATOM 409 CZ TYR A 26 -12.915 4.983 -5.319 1.00 14.12 C ATOM 410 OH TYR A 26 -13.972 4.982 -4.437 1.00 51.01 O ATOM 0 H TYR A 26 -10.513 2.618 -9.471 1.00 1.15 H new ATOM 0 HA TYR A 26 -10.733 5.552 -9.953 1.00 14.34 H new ATOM 0 HB2 TYR A 26 -8.951 4.181 -7.891 1.00 13.13 H new ATOM 0 HB3 TYR A 26 -9.147 5.905 -8.136 1.00 13.13 H new ATOM 0 HD1 TYR A 26 -11.657 6.800 -7.851 1.00 75.24 H new ATOM 0 HD2 TYR A 26 -10.240 3.137 -6.164 1.00 74.41 H new ATOM 0 HE1 TYR A 26 -13.524 6.796 -6.267 1.00 52.34 H new ATOM 0 HE2 TYR A 26 -12.095 3.163 -4.561 1.00 31.23 H new ATOM 0 HH TYR A 26 -14.587 4.254 -4.665 1.00 51.01 H new ATOM 420 N PRO A 27 -9.149 4.728 -11.941 1.00 74.50 N ATOM 421 CA PRO A 27 -8.050 4.622 -12.937 1.00 63.52 C ATOM 422 C PRO A 27 -7.076 5.814 -12.862 1.00 23.24 C ATOM 423 O PRO A 27 -5.894 5.675 -13.191 1.00 33.25 O ATOM 424 CB PRO A 27 -8.801 4.574 -14.291 1.00 64.23 C ATOM 425 CG PRO A 27 -10.080 5.325 -14.046 1.00 45.31 C ATOM 426 CD PRO A 27 -10.453 5.048 -12.601 1.00 12.23 C ATOM 0 HA PRO A 27 -7.416 3.751 -12.770 1.00 63.52 H new ATOM 0 HB2 PRO A 27 -8.216 5.038 -15.085 1.00 64.23 H new ATOM 0 HB3 PRO A 27 -8.998 3.547 -14.598 1.00 64.23 H new ATOM 0 HG2 PRO A 27 -9.945 6.393 -14.217 1.00 45.31 H new ATOM 0 HG3 PRO A 27 -10.866 4.990 -14.724 1.00 45.31 H new ATOM 0 HD2 PRO A 27 -10.931 5.912 -12.140 1.00 12.23 H new ATOM 0 HD3 PRO A 27 -11.154 4.217 -12.523 1.00 12.23 H new ATOM 434 N GLY A 28 -7.594 6.980 -12.422 1.00 75.52 N ATOM 435 CA GLY A 28 -6.789 8.198 -12.276 1.00 24.50 C ATOM 436 C GLY A 28 -5.947 8.206 -11.005 1.00 15.33 C ATOM 437 O GLY A 28 -5.119 9.100 -10.809 1.00 11.12 O ATOM 0 H GLY A 28 -8.573 7.097 -12.162 1.00 75.52 H new ATOM 0 HA2 GLY A 28 -6.133 8.299 -13.141 1.00 24.50 H new ATOM 0 HA3 GLY A 28 -7.449 9.065 -12.273 1.00 24.50 H new ATOM 441 N ARG A 29 -6.177 7.219 -10.124 1.00 4.14 N ATOM 442 CA ARG A 29 -5.411 7.038 -8.882 1.00 64.33 C ATOM 443 C ARG A 29 -4.446 5.860 -9.051 1.00 63.23 C ATOM 444 O ARG A 29 -4.883 4.705 -9.164 1.00 71.21 O ATOM 445 CB ARG A 29 -6.377 6.810 -7.686 1.00 11.02 C ATOM 446 CG ARG A 29 -7.348 7.989 -7.391 1.00 51.24 C ATOM 447 CD ARG A 29 -6.655 9.247 -6.819 1.00 22.12 C ATOM 448 NE ARG A 29 -5.800 9.946 -7.802 1.00 43.52 N ATOM 449 CZ ARG A 29 -4.855 10.857 -7.503 1.00 72.35 C ATOM 450 NH1 ARG A 29 -4.624 11.218 -6.238 1.00 64.42 N ATOM 451 NH2 ARG A 29 -4.133 11.400 -8.479 1.00 52.24 N ATOM 0 H ARG A 29 -6.907 6.518 -10.256 1.00 4.14 H new ATOM 0 HA ARG A 29 -4.830 7.936 -8.672 1.00 64.33 H new ATOM 0 HB2 ARG A 29 -6.966 5.914 -7.880 1.00 11.02 H new ATOM 0 HB3 ARG A 29 -5.785 6.615 -6.792 1.00 11.02 H new ATOM 0 HG2 ARG A 29 -7.866 8.259 -8.312 1.00 51.24 H new ATOM 0 HG3 ARG A 29 -8.108 7.653 -6.685 1.00 51.24 H new ATOM 0 HD2 ARG A 29 -7.416 9.937 -6.455 1.00 22.12 H new ATOM 0 HD3 ARG A 29 -6.048 8.959 -5.961 1.00 22.12 H new ATOM 0 HE ARG A 29 -5.937 9.720 -8.787 1.00 43.52 H new ATOM 0 HH11 ARG A 29 -5.167 10.802 -5.482 1.00 64.42 H new ATOM 0 HH12 ARG A 29 -3.904 11.910 -6.028 1.00 64.42 H new ATOM 0 HH21 ARG A 29 -4.297 11.126 -9.448 1.00 52.24 H new ATOM 0 HH22 ARG A 29 -3.416 12.091 -8.259 1.00 52.24 H new ATOM 465 N GLU A 30 -3.136 6.173 -9.111 1.00 64.11 N ATOM 466 CA GLU A 30 -2.073 5.164 -9.207 1.00 72.23 C ATOM 467 C GLU A 30 -2.027 4.322 -7.917 1.00 4.25 C ATOM 468 O GLU A 30 -1.862 4.864 -6.814 1.00 22.23 O ATOM 469 CB GLU A 30 -0.692 5.829 -9.433 1.00 5.34 C ATOM 470 CG GLU A 30 -0.580 6.712 -10.688 1.00 0.04 C ATOM 471 CD GLU A 30 0.831 7.303 -10.859 1.00 42.53 C ATOM 472 OE1 GLU A 30 1.208 8.186 -10.057 1.00 25.01 O ATOM 473 OE2 GLU A 30 1.576 6.875 -11.767 1.00 63.11 O ATOM 0 H GLU A 30 -2.790 7.132 -9.094 1.00 64.11 H new ATOM 0 HA GLU A 30 -2.295 4.522 -10.059 1.00 72.23 H new ATOM 0 HB2 GLU A 30 -0.453 6.437 -8.560 1.00 5.34 H new ATOM 0 HB3 GLU A 30 0.064 5.046 -9.492 1.00 5.34 H new ATOM 0 HG2 GLU A 30 -0.834 6.122 -11.569 1.00 0.04 H new ATOM 0 HG3 GLU A 30 -1.306 7.522 -10.626 1.00 0.04 H new ATOM 480 N ILE A 31 -2.208 3.010 -8.067 1.00 30.14 N ATOM 481 CA ILE A 31 -2.051 2.040 -6.978 1.00 41.31 C ATOM 482 C ILE A 31 -0.937 1.063 -7.368 1.00 34.23 C ATOM 483 O ILE A 31 -0.960 0.492 -8.462 1.00 3.25 O ATOM 484 CB ILE A 31 -3.391 1.277 -6.693 1.00 71.45 C ATOM 485 CG1 ILE A 31 -4.522 2.287 -6.291 1.00 43.21 C ATOM 486 CG2 ILE A 31 -3.186 0.193 -5.608 1.00 64.31 C ATOM 487 CD1 ILE A 31 -5.890 1.664 -6.074 1.00 2.32 C ATOM 0 H ILE A 31 -2.470 2.584 -8.956 1.00 30.14 H new ATOM 0 HA ILE A 31 -1.786 2.562 -6.058 1.00 41.31 H new ATOM 0 HB ILE A 31 -3.704 0.771 -7.606 1.00 71.45 H new ATOM 0 HG12 ILE A 31 -4.223 2.799 -5.376 1.00 43.21 H new ATOM 0 HG13 ILE A 31 -4.604 3.046 -7.069 1.00 43.21 H new ATOM 0 HG21 ILE A 31 -4.129 -0.323 -5.427 1.00 64.31 H new ATOM 0 HG22 ILE A 31 -2.439 -0.524 -5.947 1.00 64.31 H new ATOM 0 HG23 ILE A 31 -2.846 0.662 -4.685 1.00 64.31 H new ATOM 0 HD11 ILE A 31 -6.604 2.441 -5.800 1.00 2.32 H new ATOM 0 HD12 ILE A 31 -6.218 1.177 -6.992 1.00 2.32 H new ATOM 0 HD13 ILE A 31 -5.831 0.926 -5.274 1.00 2.32 H new ATOM 499 N ARG A 32 0.042 0.902 -6.470 1.00 64.33 N ATOM 500 CA ARG A 32 1.256 0.112 -6.716 1.00 54.42 C ATOM 501 C ARG A 32 1.229 -1.159 -5.844 1.00 1.34 C ATOM 502 O ARG A 32 0.768 -1.115 -4.702 1.00 33.12 O ATOM 503 CB ARG A 32 2.507 0.980 -6.397 1.00 64.31 C ATOM 504 CG ARG A 32 2.564 2.360 -7.112 1.00 62.31 C ATOM 505 CD ARG A 32 2.499 2.257 -8.645 1.00 12.24 C ATOM 506 NE ARG A 32 2.628 3.572 -9.317 1.00 22.50 N ATOM 507 CZ ARG A 32 3.660 3.941 -10.105 1.00 40.14 C ATOM 508 NH1 ARG A 32 4.676 3.111 -10.328 1.00 24.12 N ATOM 509 NH2 ARG A 32 3.653 5.122 -10.704 1.00 41.43 N ATOM 0 H ARG A 32 0.014 1.321 -5.541 1.00 64.33 H new ATOM 0 HA ARG A 32 1.300 -0.190 -7.762 1.00 54.42 H new ATOM 0 HB2 ARG A 32 2.548 1.146 -5.320 1.00 64.31 H new ATOM 0 HB3 ARG A 32 3.399 0.414 -6.666 1.00 64.31 H new ATOM 0 HG2 ARG A 32 1.737 2.977 -6.761 1.00 62.31 H new ATOM 0 HG3 ARG A 32 3.485 2.870 -6.828 1.00 62.31 H new ATOM 0 HD2 ARG A 32 3.293 1.597 -8.994 1.00 12.24 H new ATOM 0 HD3 ARG A 32 1.553 1.798 -8.934 1.00 12.24 H new ATOM 0 HE ARG A 32 1.880 4.250 -9.173 1.00 22.50 H new ATOM 0 HH11 ARG A 32 4.681 2.184 -9.902 1.00 24.12 H new ATOM 0 HH12 ARG A 32 5.450 3.401 -10.925 1.00 24.12 H new ATOM 0 HH21 ARG A 32 2.866 5.757 -10.571 1.00 41.43 H new ATOM 0 HH22 ARG A 32 4.435 5.397 -11.299 1.00 41.43 H new ATOM 523 N THR A 33 1.721 -2.281 -6.390 1.00 73.33 N ATOM 524 CA THR A 33 1.704 -3.589 -5.707 1.00 71.40 C ATOM 525 C THR A 33 3.141 -4.085 -5.455 1.00 43.45 C ATOM 526 O THR A 33 3.889 -4.364 -6.402 1.00 32.30 O ATOM 527 CB THR A 33 0.916 -4.643 -6.552 1.00 22.10 C ATOM 528 OG1 THR A 33 -0.395 -4.140 -6.848 1.00 12.41 O ATOM 529 CG2 THR A 33 0.797 -6.003 -5.830 1.00 52.43 C ATOM 0 H THR A 33 2.143 -2.310 -7.318 1.00 73.33 H new ATOM 0 HA THR A 33 1.201 -3.464 -4.748 1.00 71.40 H new ATOM 0 HB THR A 33 1.475 -4.808 -7.473 1.00 22.10 H new ATOM 0 HG1 THR A 33 -0.553 -4.186 -7.814 1.00 12.41 H new ATOM 0 HG21 THR A 33 0.242 -6.701 -6.457 1.00 52.43 H new ATOM 0 HG22 THR A 33 1.793 -6.401 -5.638 1.00 52.43 H new ATOM 0 HG23 THR A 33 0.272 -5.868 -4.884 1.00 52.43 H new ATOM 537 N ALA A 34 3.520 -4.184 -4.174 1.00 22.00 N ATOM 538 CA ALA A 34 4.833 -4.688 -3.758 1.00 62.21 C ATOM 539 C ALA A 34 4.805 -6.222 -3.619 1.00 5.41 C ATOM 540 O ALA A 34 4.102 -6.771 -2.762 1.00 41.30 O ATOM 541 CB ALA A 34 5.270 -4.015 -2.452 1.00 51.34 C ATOM 0 H ALA A 34 2.920 -3.915 -3.394 1.00 22.00 H new ATOM 0 HA ALA A 34 5.566 -4.440 -4.526 1.00 62.21 H new ATOM 0 HB1 ALA A 34 6.246 -4.398 -2.154 1.00 51.34 H new ATOM 0 HB2 ALA A 34 5.333 -2.937 -2.602 1.00 51.34 H new ATOM 0 HB3 ALA A 34 4.542 -4.231 -1.670 1.00 51.34 H new ATOM 547 N THR A 35 5.548 -6.896 -4.500 1.00 64.34 N ATOM 548 CA THR A 35 5.716 -8.360 -4.483 1.00 61.53 C ATOM 549 C THR A 35 7.004 -8.734 -3.712 1.00 11.24 C ATOM 550 O THR A 35 7.109 -9.824 -3.138 1.00 33.32 O ATOM 551 CB THR A 35 5.780 -8.903 -5.954 1.00 72.21 C ATOM 552 OG1 THR A 35 4.642 -8.415 -6.683 1.00 42.30 O ATOM 553 CG2 THR A 35 5.802 -10.446 -6.038 1.00 12.44 C ATOM 0 H THR A 35 6.058 -6.439 -5.256 1.00 64.34 H new ATOM 0 HA THR A 35 4.864 -8.815 -3.978 1.00 61.53 H new ATOM 0 HB THR A 35 6.716 -8.545 -6.383 1.00 72.21 H new ATOM 0 HG1 THR A 35 4.676 -8.749 -7.604 1.00 42.30 H new ATOM 0 HG21 THR A 35 5.846 -10.753 -7.083 1.00 12.44 H new ATOM 0 HG22 THR A 35 6.677 -10.827 -5.510 1.00 12.44 H new ATOM 0 HG23 THR A 35 4.898 -10.848 -5.580 1.00 12.44 H new ATOM 561 N SER A 36 7.975 -7.798 -3.683 1.00 42.23 N ATOM 562 CA SER A 36 9.321 -8.036 -3.127 1.00 12.33 C ATOM 563 C SER A 36 9.903 -6.752 -2.487 1.00 42.22 C ATOM 564 O SER A 36 9.290 -5.672 -2.554 1.00 51.15 O ATOM 565 CB SER A 36 10.256 -8.573 -4.248 1.00 44.21 C ATOM 566 OG SER A 36 9.767 -9.795 -4.801 1.00 41.45 O ATOM 0 H SER A 36 7.846 -6.853 -4.046 1.00 42.23 H new ATOM 0 HA SER A 36 9.246 -8.782 -2.336 1.00 12.33 H new ATOM 0 HB2 SER A 36 10.345 -7.826 -5.037 1.00 44.21 H new ATOM 0 HB3 SER A 36 11.256 -8.731 -3.844 1.00 44.21 H new ATOM 0 HG SER A 36 10.377 -10.104 -5.503 1.00 41.45 H new ATOM 572 N SER A 37 11.114 -6.889 -1.890 1.00 34.21 N ATOM 573 CA SER A 37 11.828 -5.800 -1.182 1.00 43.54 C ATOM 574 C SER A 37 12.273 -4.674 -2.145 1.00 73.41 C ATOM 575 O SER A 37 12.520 -3.537 -1.714 1.00 42.21 O ATOM 576 CB SER A 37 13.067 -6.388 -0.465 1.00 60.20 C ATOM 577 OG SER A 37 12.710 -7.485 0.364 1.00 43.41 O ATOM 0 H SER A 37 11.627 -7.771 -1.888 1.00 34.21 H new ATOM 0 HA SER A 37 11.140 -5.361 -0.460 1.00 43.54 H new ATOM 0 HB2 SER A 37 13.799 -6.712 -1.205 1.00 60.20 H new ATOM 0 HB3 SER A 37 13.543 -5.614 0.137 1.00 60.20 H new ATOM 0 HG SER A 37 13.512 -7.838 0.803 1.00 43.41 H new ATOM 583 N GLN A 38 12.395 -5.018 -3.446 1.00 61.43 N ATOM 584 CA GLN A 38 12.771 -4.066 -4.501 1.00 35.43 C ATOM 585 C GLN A 38 11.655 -3.037 -4.698 1.00 22.24 C ATOM 586 O GLN A 38 11.916 -1.833 -4.730 1.00 42.20 O ATOM 587 CB GLN A 38 13.066 -4.797 -5.842 1.00 73.40 C ATOM 588 CG GLN A 38 13.497 -3.870 -7.008 1.00 31.10 C ATOM 589 CD GLN A 38 14.742 -3.029 -6.688 1.00 45.51 C ATOM 590 OE1 GLN A 38 14.644 -1.899 -6.202 1.00 60.41 O ATOM 591 NE2 GLN A 38 15.920 -3.576 -6.944 1.00 74.11 N ATOM 0 H GLN A 38 12.234 -5.965 -3.789 1.00 61.43 H new ATOM 0 HA GLN A 38 13.682 -3.556 -4.188 1.00 35.43 H new ATOM 0 HB2 GLN A 38 13.852 -5.533 -5.673 1.00 73.40 H new ATOM 0 HB3 GLN A 38 12.174 -5.346 -6.144 1.00 73.40 H new ATOM 0 HG2 GLN A 38 13.695 -4.477 -7.891 1.00 31.10 H new ATOM 0 HG3 GLN A 38 12.671 -3.204 -7.257 1.00 31.10 H new ATOM 0 HE21 GLN A 38 15.971 -4.512 -7.346 1.00 74.11 H new ATOM 0 HE22 GLN A 38 16.777 -3.061 -6.739 1.00 74.11 H new ATOM 600 N ASP A 39 10.406 -3.546 -4.778 1.00 61.33 N ATOM 601 CA ASP A 39 9.210 -2.719 -5.012 1.00 0.25 C ATOM 602 C ASP A 39 9.013 -1.715 -3.872 1.00 61.43 C ATOM 603 O ASP A 39 8.608 -0.592 -4.105 1.00 50.12 O ATOM 604 CB ASP A 39 7.947 -3.595 -5.147 1.00 63.14 C ATOM 605 CG ASP A 39 8.041 -4.670 -6.240 1.00 13.50 C ATOM 606 OD1 ASP A 39 8.074 -4.322 -7.436 1.00 30.33 O ATOM 607 OD2 ASP A 39 8.067 -5.872 -5.903 1.00 15.32 O ATOM 0 H ASP A 39 10.203 -4.541 -4.682 1.00 61.33 H new ATOM 0 HA ASP A 39 9.365 -2.177 -5.945 1.00 0.25 H new ATOM 0 HB2 ASP A 39 7.751 -4.081 -4.191 1.00 63.14 H new ATOM 0 HB3 ASP A 39 7.093 -2.952 -5.358 1.00 63.14 H new ATOM 612 N ILE A 40 9.332 -2.152 -2.645 1.00 4.14 N ATOM 613 CA ILE A 40 9.314 -1.307 -1.435 1.00 74.21 C ATOM 614 C ILE A 40 10.107 0.000 -1.653 1.00 15.30 C ATOM 615 O ILE A 40 9.547 1.099 -1.557 1.00 52.32 O ATOM 616 CB ILE A 40 9.897 -2.119 -0.217 1.00 32.42 C ATOM 617 CG1 ILE A 40 8.942 -3.295 0.170 1.00 72.33 C ATOM 618 CG2 ILE A 40 10.230 -1.222 0.997 1.00 12.21 C ATOM 619 CD1 ILE A 40 7.520 -2.901 0.553 1.00 65.44 C ATOM 0 H ILE A 40 9.614 -3.115 -2.459 1.00 4.14 H new ATOM 0 HA ILE A 40 8.283 -1.029 -1.219 1.00 74.21 H new ATOM 0 HB ILE A 40 10.847 -2.545 -0.540 1.00 32.42 H new ATOM 0 HG12 ILE A 40 8.892 -3.988 -0.670 1.00 72.33 H new ATOM 0 HG13 ILE A 40 9.385 -3.837 1.005 1.00 72.33 H new ATOM 0 HG21 ILE A 40 10.628 -1.836 1.805 1.00 12.21 H new ATOM 0 HG22 ILE A 40 10.972 -0.478 0.707 1.00 12.21 H new ATOM 0 HG23 ILE A 40 9.325 -0.718 1.336 1.00 12.21 H new ATOM 0 HD11 ILE A 40 6.949 -3.796 0.802 1.00 65.44 H new ATOM 0 HD12 ILE A 40 7.547 -2.236 1.416 1.00 65.44 H new ATOM 0 HD13 ILE A 40 7.046 -2.389 -0.285 1.00 65.44 H new ATOM 631 N ARG A 41 11.390 -0.149 -2.018 1.00 24.45 N ATOM 632 CA ARG A 41 12.304 0.984 -2.234 1.00 62.43 C ATOM 633 C ARG A 41 11.959 1.755 -3.523 1.00 61.42 C ATOM 634 O ARG A 41 12.156 2.967 -3.595 1.00 14.21 O ATOM 635 CB ARG A 41 13.765 0.472 -2.293 1.00 70.05 C ATOM 636 CG ARG A 41 14.217 -0.247 -1.008 1.00 3.20 C ATOM 637 CD ARG A 41 15.723 -0.545 -0.976 1.00 73.42 C ATOM 638 NE ARG A 41 16.189 -0.833 0.392 1.00 4.53 N ATOM 639 CZ ARG A 41 17.442 -1.198 0.722 1.00 72.32 C ATOM 640 NH1 ARG A 41 18.383 -1.326 -0.217 1.00 53.33 N ATOM 641 NH2 ARG A 41 17.753 -1.412 1.995 1.00 64.21 N ATOM 0 H ARG A 41 11.824 -1.059 -2.172 1.00 24.45 H new ATOM 0 HA ARG A 41 12.191 1.674 -1.398 1.00 62.43 H new ATOM 0 HB2 ARG A 41 13.869 -0.210 -3.137 1.00 70.05 H new ATOM 0 HB3 ARG A 41 14.430 1.315 -2.481 1.00 70.05 H new ATOM 0 HG2 ARG A 41 13.957 0.367 -0.146 1.00 3.20 H new ATOM 0 HG3 ARG A 41 13.666 -1.183 -0.911 1.00 3.20 H new ATOM 0 HD2 ARG A 41 15.940 -1.396 -1.622 1.00 73.42 H new ATOM 0 HD3 ARG A 41 16.272 0.307 -1.376 1.00 73.42 H new ATOM 0 HE ARG A 41 15.509 -0.749 1.148 1.00 4.53 H new ATOM 0 HH11 ARG A 41 18.155 -1.147 -1.195 1.00 53.33 H new ATOM 0 HH12 ARG A 41 19.329 -1.603 0.044 1.00 53.33 H new ATOM 0 HH21 ARG A 41 17.043 -1.300 2.719 1.00 64.21 H new ATOM 0 HH22 ARG A 41 18.701 -1.689 2.249 1.00 64.21 H new ATOM 655 N ASP A 42 11.426 1.023 -4.515 1.00 60.03 N ATOM 656 CA ASP A 42 11.090 1.551 -5.849 1.00 62.13 C ATOM 657 C ASP A 42 9.895 2.521 -5.780 1.00 15.13 C ATOM 658 O ASP A 42 9.911 3.580 -6.416 1.00 71.25 O ATOM 659 CB ASP A 42 10.775 0.366 -6.807 1.00 62.04 C ATOM 660 CG ASP A 42 10.293 0.797 -8.205 1.00 55.23 C ATOM 661 OD1 ASP A 42 11.135 1.100 -9.075 1.00 24.14 O ATOM 662 OD2 ASP A 42 9.068 0.833 -8.437 1.00 75.32 O ATOM 0 H ASP A 42 11.213 0.031 -4.411 1.00 60.03 H new ATOM 0 HA ASP A 42 11.945 2.110 -6.230 1.00 62.13 H new ATOM 0 HB2 ASP A 42 11.670 -0.246 -6.916 1.00 62.04 H new ATOM 0 HB3 ASP A 42 10.012 -0.264 -6.350 1.00 62.04 H new ATOM 667 N ILE A 43 8.870 2.147 -4.996 1.00 13.10 N ATOM 668 CA ILE A 43 7.629 2.932 -4.869 1.00 53.35 C ATOM 669 C ILE A 43 7.884 4.198 -4.035 1.00 41.34 C ATOM 670 O ILE A 43 7.421 5.276 -4.407 1.00 51.43 O ATOM 671 CB ILE A 43 6.453 2.086 -4.247 1.00 63.33 C ATOM 672 CG1 ILE A 43 6.137 0.833 -5.135 1.00 24.30 C ATOM 673 CG2 ILE A 43 5.186 2.961 -4.062 1.00 25.14 C ATOM 674 CD1 ILE A 43 5.288 -0.238 -4.456 1.00 1.34 C ATOM 0 H ILE A 43 8.877 1.296 -4.434 1.00 13.10 H new ATOM 0 HA ILE A 43 7.320 3.222 -5.873 1.00 53.35 H new ATOM 0 HB ILE A 43 6.771 1.734 -3.266 1.00 63.33 H new ATOM 0 HG12 ILE A 43 5.623 1.165 -6.037 1.00 24.30 H new ATOM 0 HG13 ILE A 43 7.078 0.383 -5.451 1.00 24.30 H new ATOM 0 HG21 ILE A 43 4.387 2.358 -3.632 1.00 25.14 H new ATOM 0 HG22 ILE A 43 5.412 3.793 -3.395 1.00 25.14 H new ATOM 0 HG23 ILE A 43 4.867 3.349 -5.030 1.00 25.14 H new ATOM 0 HD11 ILE A 43 5.123 -1.064 -5.148 1.00 1.34 H new ATOM 0 HD12 ILE A 43 5.806 -0.605 -3.570 1.00 1.34 H new ATOM 0 HD13 ILE A 43 4.328 0.189 -4.165 1.00 1.34 H new ATOM 686 N ILE A 44 8.647 4.059 -2.922 1.00 32.44 N ATOM 687 CA ILE A 44 9.070 5.212 -2.093 1.00 72.22 C ATOM 688 C ILE A 44 9.924 6.182 -2.943 1.00 1.00 C ATOM 689 O ILE A 44 9.764 7.400 -2.853 1.00 53.31 O ATOM 690 CB ILE A 44 9.862 4.750 -0.805 1.00 21.20 C ATOM 691 CG1 ILE A 44 8.971 3.809 0.068 1.00 11.10 C ATOM 692 CG2 ILE A 44 10.374 5.960 0.033 1.00 4.04 C ATOM 693 CD1 ILE A 44 9.676 3.186 1.262 1.00 34.02 C ATOM 0 H ILE A 44 8.981 3.158 -2.579 1.00 32.44 H new ATOM 0 HA ILE A 44 8.174 5.729 -1.749 1.00 72.22 H new ATOM 0 HB ILE A 44 10.741 4.198 -1.138 1.00 21.20 H new ATOM 0 HG12 ILE A 44 8.112 4.376 0.427 1.00 11.10 H new ATOM 0 HG13 ILE A 44 8.584 3.010 -0.564 1.00 11.10 H new ATOM 0 HG21 ILE A 44 10.912 5.595 0.908 1.00 4.04 H new ATOM 0 HG22 ILE A 44 11.042 6.568 -0.577 1.00 4.04 H new ATOM 0 HG23 ILE A 44 9.526 6.565 0.355 1.00 4.04 H new ATOM 0 HD11 ILE A 44 8.977 2.550 1.806 1.00 34.02 H new ATOM 0 HD12 ILE A 44 10.518 2.587 0.915 1.00 34.02 H new ATOM 0 HD13 ILE A 44 10.039 3.974 1.922 1.00 34.02 H new ATOM 705 N LYS A 45 10.775 5.604 -3.822 1.00 50.14 N ATOM 706 CA LYS A 45 11.604 6.362 -4.787 1.00 54.01 C ATOM 707 C LYS A 45 10.706 7.164 -5.754 1.00 65.14 C ATOM 708 O LYS A 45 10.971 8.336 -6.040 1.00 60.25 O ATOM 709 CB LYS A 45 12.514 5.376 -5.578 1.00 11.24 C ATOM 710 CG LYS A 45 13.684 6.015 -6.363 1.00 0.34 C ATOM 711 CD LYS A 45 14.738 6.664 -5.435 1.00 71.53 C ATOM 712 CE LYS A 45 15.389 5.652 -4.463 1.00 64.43 C ATOM 713 NZ LYS A 45 16.260 6.334 -3.470 1.00 14.00 N ATOM 0 H LYS A 45 10.906 4.594 -3.882 1.00 50.14 H new ATOM 0 HA LYS A 45 12.232 7.067 -4.243 1.00 54.01 H new ATOM 0 HB2 LYS A 45 12.926 4.651 -4.876 1.00 11.24 H new ATOM 0 HB3 LYS A 45 11.891 4.822 -6.280 1.00 11.24 H new ATOM 0 HG2 LYS A 45 14.165 5.253 -6.976 1.00 0.34 H new ATOM 0 HG3 LYS A 45 13.291 6.770 -7.044 1.00 0.34 H new ATOM 0 HD2 LYS A 45 15.515 7.127 -6.044 1.00 71.53 H new ATOM 0 HD3 LYS A 45 14.267 7.461 -4.860 1.00 71.53 H new ATOM 0 HE2 LYS A 45 14.611 5.093 -3.943 1.00 64.43 H new ATOM 0 HE3 LYS A 45 15.977 4.929 -5.029 1.00 64.43 H new ATOM 0 HZ1 LYS A 45 16.681 5.627 -2.834 1.00 14.00 H new ATOM 0 HZ2 LYS A 45 17.016 6.847 -3.966 1.00 14.00 H new ATOM 0 HZ3 LYS A 45 15.693 7.006 -2.914 1.00 14.00 H new ATOM 727 N SER A 46 9.617 6.510 -6.207 1.00 62.30 N ATOM 728 CA SER A 46 8.624 7.100 -7.119 1.00 32.33 C ATOM 729 C SER A 46 7.812 8.215 -6.417 1.00 50.44 C ATOM 730 O SER A 46 7.370 9.171 -7.069 1.00 64.43 O ATOM 731 CB SER A 46 7.688 5.998 -7.667 1.00 71.51 C ATOM 732 OG SER A 46 8.419 4.999 -8.373 1.00 30.24 O ATOM 0 H SER A 46 9.403 5.548 -5.945 1.00 62.30 H new ATOM 0 HA SER A 46 9.153 7.557 -7.955 1.00 32.33 H new ATOM 0 HB2 SER A 46 7.143 5.538 -6.843 1.00 71.51 H new ATOM 0 HB3 SER A 46 6.946 6.445 -8.329 1.00 71.51 H new ATOM 0 HG SER A 46 8.956 4.478 -7.740 1.00 30.24 H new ATOM 738 N MET A 47 7.636 8.086 -5.083 1.00 41.43 N ATOM 739 CA MET A 47 6.948 9.103 -4.266 1.00 3.22 C ATOM 740 C MET A 47 7.825 10.352 -4.124 1.00 60.11 C ATOM 741 O MET A 47 7.312 11.463 -4.147 1.00 24.03 O ATOM 742 CB MET A 47 6.566 8.561 -2.861 1.00 45.51 C ATOM 743 CG MET A 47 5.603 7.364 -2.876 1.00 54.04 C ATOM 744 SD MET A 47 4.884 7.026 -1.263 1.00 43.41 S ATOM 745 CE MET A 47 3.896 8.501 -1.033 1.00 3.31 C ATOM 0 H MET A 47 7.964 7.281 -4.549 1.00 41.43 H new ATOM 0 HA MET A 47 6.024 9.364 -4.782 1.00 3.22 H new ATOM 0 HB2 MET A 47 7.477 8.271 -2.338 1.00 45.51 H new ATOM 0 HB3 MET A 47 6.112 9.368 -2.286 1.00 45.51 H new ATOM 0 HG2 MET A 47 4.804 7.556 -3.592 1.00 54.04 H new ATOM 0 HG3 MET A 47 6.136 6.479 -3.223 1.00 54.04 H new ATOM 0 HE1 MET A 47 3.703 8.648 0.030 1.00 3.31 H new ATOM 0 HE2 MET A 47 4.433 9.364 -1.427 1.00 3.31 H new ATOM 0 HE3 MET A 47 2.949 8.391 -1.561 1.00 3.31 H new ATOM 755 N LYS A 48 9.154 10.147 -4.002 1.00 61.13 N ATOM 756 CA LYS A 48 10.127 11.248 -3.823 1.00 42.24 C ATOM 757 C LYS A 48 10.278 12.143 -5.073 1.00 22.20 C ATOM 758 O LYS A 48 10.846 13.236 -4.972 1.00 61.44 O ATOM 759 CB LYS A 48 11.522 10.695 -3.399 1.00 13.24 C ATOM 760 CG LYS A 48 11.555 9.903 -2.065 1.00 32.30 C ATOM 761 CD LYS A 48 10.907 10.639 -0.862 1.00 32.02 C ATOM 762 CE LYS A 48 11.513 12.027 -0.581 1.00 42.41 C ATOM 763 NZ LYS A 48 12.980 11.986 -0.356 1.00 5.22 N ATOM 0 H LYS A 48 9.581 9.221 -4.024 1.00 61.13 H new ATOM 0 HA LYS A 48 9.723 11.875 -3.028 1.00 42.24 H new ATOM 0 HB2 LYS A 48 11.893 10.048 -4.194 1.00 13.24 H new ATOM 0 HB3 LYS A 48 12.216 11.532 -3.320 1.00 13.24 H new ATOM 0 HG2 LYS A 48 11.044 8.951 -2.210 1.00 32.30 H new ATOM 0 HG3 LYS A 48 12.592 9.674 -1.819 1.00 32.30 H new ATOM 0 HD2 LYS A 48 9.839 10.751 -1.049 1.00 32.02 H new ATOM 0 HD3 LYS A 48 11.012 10.020 0.029 1.00 32.02 H new ATOM 0 HE2 LYS A 48 11.298 12.688 -1.421 1.00 42.41 H new ATOM 0 HE3 LYS A 48 11.029 12.458 0.295 1.00 42.41 H new ATOM 0 HZ1 LYS A 48 13.278 12.845 0.148 1.00 5.22 H new ATOM 0 HZ2 LYS A 48 13.221 11.149 0.213 1.00 5.22 H new ATOM 0 HZ3 LYS A 48 13.470 11.934 -1.272 1.00 5.22 H new ATOM 777 N ASP A 49 9.770 11.685 -6.236 1.00 50.41 N ATOM 778 CA ASP A 49 9.825 12.466 -7.498 1.00 33.03 C ATOM 779 C ASP A 49 8.889 13.693 -7.488 1.00 55.20 C ATOM 780 O ASP A 49 8.998 14.551 -8.369 1.00 2.54 O ATOM 781 CB ASP A 49 9.494 11.575 -8.724 1.00 64.45 C ATOM 782 CG ASP A 49 10.581 10.539 -9.034 1.00 3.03 C ATOM 783 OD1 ASP A 49 11.673 10.931 -9.501 1.00 11.44 O ATOM 784 OD2 ASP A 49 10.353 9.337 -8.822 1.00 35.43 O ATOM 0 H ASP A 49 9.315 10.777 -6.331 1.00 50.41 H new ATOM 0 HA ASP A 49 10.849 12.831 -7.577 1.00 33.03 H new ATOM 0 HB2 ASP A 49 8.551 11.059 -8.545 1.00 64.45 H new ATOM 0 HB3 ASP A 49 9.349 12.211 -9.597 1.00 64.45 H new ATOM 789 N ASN A 50 7.976 13.775 -6.503 1.00 53.12 N ATOM 790 CA ASN A 50 6.988 14.880 -6.423 1.00 5.41 C ATOM 791 C ASN A 50 6.621 15.197 -4.963 1.00 73.21 C ATOM 792 O ASN A 50 6.362 16.352 -4.615 1.00 22.41 O ATOM 793 CB ASN A 50 5.704 14.510 -7.218 1.00 13.33 C ATOM 794 CG ASN A 50 4.714 15.675 -7.348 1.00 73.11 C ATOM 795 OD1 ASN A 50 3.833 15.845 -6.367 1.00 3.10 O flip ATOM 796 ND2 ASN A 50 4.761 16.434 -8.312 1.00 32.20 N flip ATOM 0 H ASN A 50 7.898 13.092 -5.749 1.00 53.12 H new ATOM 0 HA ASN A 50 7.444 15.768 -6.862 1.00 5.41 H new ATOM 0 HB2 ASN A 50 5.987 14.170 -8.214 1.00 13.33 H new ATOM 0 HB3 ASN A 50 5.208 13.674 -6.725 1.00 13.33 H new ATOM 0 HD21 ASN A 50 5.448 16.279 -9.050 1.00 32.20 H new ATOM 0 HD22 ASN A 50 4.113 17.219 -8.375 1.00 32.20 H new ATOM 803 N GLY A 51 6.618 14.160 -4.124 1.00 34.33 N ATOM 804 CA GLY A 51 5.981 14.208 -2.808 1.00 71.10 C ATOM 805 C GLY A 51 4.468 14.049 -2.920 1.00 33.21 C ATOM 806 O GLY A 51 3.705 14.729 -2.225 1.00 11.31 O ATOM 0 H GLY A 51 7.057 13.264 -4.338 1.00 34.33 H new ATOM 0 HA2 GLY A 51 6.386 13.418 -2.176 1.00 71.10 H new ATOM 0 HA3 GLY A 51 6.215 15.156 -2.323 1.00 71.10 H new ATOM 810 N LYS A 52 4.041 13.134 -3.812 1.00 45.31 N ATOM 811 CA LYS A 52 2.612 12.875 -4.115 1.00 51.35 C ATOM 812 C LYS A 52 2.150 11.568 -3.423 1.00 24.22 C ATOM 813 O LYS A 52 2.989 10.700 -3.146 1.00 53.10 O ATOM 814 CB LYS A 52 2.398 12.836 -5.667 1.00 30.13 C ATOM 815 CG LYS A 52 3.194 11.750 -6.458 1.00 12.35 C ATOM 816 CD LYS A 52 2.475 10.376 -6.571 1.00 4.40 C ATOM 817 CE LYS A 52 1.118 10.471 -7.296 1.00 63.33 C ATOM 818 NZ LYS A 52 0.468 9.144 -7.435 1.00 13.11 N ATOM 0 H LYS A 52 4.680 12.547 -4.349 1.00 45.31 H new ATOM 0 HA LYS A 52 1.997 13.683 -3.720 1.00 51.35 H new ATOM 0 HB2 LYS A 52 1.336 12.687 -5.860 1.00 30.13 H new ATOM 0 HB3 LYS A 52 2.662 13.813 -6.071 1.00 30.13 H new ATOM 0 HG2 LYS A 52 3.394 12.124 -7.462 1.00 12.35 H new ATOM 0 HG3 LYS A 52 4.160 11.602 -5.974 1.00 12.35 H new ATOM 0 HD2 LYS A 52 3.119 9.677 -7.104 1.00 4.40 H new ATOM 0 HD3 LYS A 52 2.321 9.968 -5.572 1.00 4.40 H new ATOM 0 HE2 LYS A 52 0.459 11.142 -6.745 1.00 63.33 H new ATOM 0 HE3 LYS A 52 1.264 10.908 -8.284 1.00 63.33 H new ATOM 0 HZ1 LYS A 52 -0.555 9.271 -7.572 1.00 13.11 H new ATOM 0 HZ2 LYS A 52 0.868 8.646 -8.256 1.00 13.11 H new ATOM 0 HZ3 LYS A 52 0.635 8.584 -6.575 1.00 13.11 H new ATOM 832 N PRO A 53 0.818 11.401 -3.136 1.00 13.01 N ATOM 833 CA PRO A 53 0.290 10.191 -2.456 1.00 3.21 C ATOM 834 C PRO A 53 0.216 8.918 -3.346 1.00 23.12 C ATOM 835 O PRO A 53 0.023 9.000 -4.566 1.00 51.12 O ATOM 836 CB PRO A 53 -1.116 10.634 -2.006 1.00 5.54 C ATOM 837 CG PRO A 53 -1.537 11.655 -3.019 1.00 1.25 C ATOM 838 CD PRO A 53 -0.273 12.398 -3.396 1.00 13.22 C ATOM 0 HA PRO A 53 0.952 9.880 -1.647 1.00 3.21 H new ATOM 0 HB2 PRO A 53 -1.808 9.792 -1.982 1.00 5.54 H new ATOM 0 HB3 PRO A 53 -1.095 11.058 -1.002 1.00 5.54 H new ATOM 0 HG2 PRO A 53 -1.988 11.180 -3.891 1.00 1.25 H new ATOM 0 HG3 PRO A 53 -2.282 12.334 -2.605 1.00 1.25 H new ATOM 0 HD2 PRO A 53 -0.289 12.711 -4.440 1.00 13.22 H new ATOM 0 HD3 PRO A 53 -0.144 13.298 -2.795 1.00 13.22 H new ATOM 846 N LEU A 54 0.350 7.742 -2.691 1.00 11.30 N ATOM 847 CA LEU A 54 0.239 6.401 -3.334 1.00 53.40 C ATOM 848 C LEU A 54 -0.408 5.385 -2.363 1.00 71.22 C ATOM 849 O LEU A 54 -0.527 5.649 -1.169 1.00 54.33 O ATOM 850 CB LEU A 54 1.648 5.891 -3.823 1.00 41.53 C ATOM 851 CG LEU A 54 2.105 6.378 -5.246 1.00 74.25 C ATOM 852 CD1 LEU A 54 3.544 5.925 -5.581 1.00 71.21 C ATOM 853 CD2 LEU A 54 1.111 5.901 -6.324 1.00 1.53 C ATOM 0 H LEU A 54 0.540 7.691 -1.690 1.00 11.30 H new ATOM 0 HA LEU A 54 -0.404 6.496 -4.209 1.00 53.40 H new ATOM 0 HB2 LEU A 54 2.397 6.205 -3.096 1.00 41.53 H new ATOM 0 HB3 LEU A 54 1.638 4.801 -3.820 1.00 41.53 H new ATOM 0 HG LEU A 54 2.110 7.468 -5.233 1.00 74.25 H new ATOM 0 HD11 LEU A 54 3.817 6.284 -6.573 1.00 71.21 H new ATOM 0 HD12 LEU A 54 4.235 6.334 -4.844 1.00 71.21 H new ATOM 0 HD13 LEU A 54 3.596 4.836 -5.562 1.00 71.21 H new ATOM 0 HD21 LEU A 54 1.442 6.247 -7.303 1.00 1.53 H new ATOM 0 HD22 LEU A 54 1.065 4.812 -6.320 1.00 1.53 H new ATOM 0 HD23 LEU A 54 0.122 6.307 -6.112 1.00 1.53 H new ATOM 865 N VAL A 55 -0.848 4.227 -2.902 1.00 21.31 N ATOM 866 CA VAL A 55 -1.403 3.104 -2.104 1.00 20.41 C ATOM 867 C VAL A 55 -0.616 1.823 -2.452 1.00 35.03 C ATOM 868 O VAL A 55 -0.678 1.362 -3.595 1.00 25.15 O ATOM 869 CB VAL A 55 -2.949 2.872 -2.385 1.00 10.14 C ATOM 870 CG1 VAL A 55 -3.536 1.784 -1.449 1.00 61.00 C ATOM 871 CG2 VAL A 55 -3.758 4.192 -2.284 1.00 23.51 C ATOM 0 H VAL A 55 -0.830 4.041 -3.905 1.00 21.31 H new ATOM 0 HA VAL A 55 -1.302 3.351 -1.047 1.00 20.41 H new ATOM 0 HB VAL A 55 -3.038 2.514 -3.411 1.00 10.14 H new ATOM 0 HG11 VAL A 55 -4.595 1.649 -1.667 1.00 61.00 H new ATOM 0 HG12 VAL A 55 -3.010 0.843 -1.610 1.00 61.00 H new ATOM 0 HG13 VAL A 55 -3.416 2.094 -0.411 1.00 61.00 H new ATOM 0 HG21 VAL A 55 -4.810 3.990 -2.483 1.00 23.51 H new ATOM 0 HG22 VAL A 55 -3.651 4.608 -1.282 1.00 23.51 H new ATOM 0 HG23 VAL A 55 -3.381 4.907 -3.016 1.00 23.51 H new ATOM 881 N VAL A 56 0.153 1.283 -1.484 1.00 35.55 N ATOM 882 CA VAL A 56 0.974 0.064 -1.683 1.00 43.03 C ATOM 883 C VAL A 56 0.295 -1.179 -1.088 1.00 31.50 C ATOM 884 O VAL A 56 0.161 -1.290 0.130 1.00 3.52 O ATOM 885 CB VAL A 56 2.404 0.235 -1.044 1.00 60.10 C ATOM 886 CG1 VAL A 56 3.276 -1.047 -1.189 1.00 51.32 C ATOM 887 CG2 VAL A 56 3.112 1.459 -1.654 1.00 73.41 C ATOM 0 H VAL A 56 0.224 1.675 -0.545 1.00 35.55 H new ATOM 0 HA VAL A 56 1.076 -0.077 -2.759 1.00 43.03 H new ATOM 0 HB VAL A 56 2.270 0.399 0.025 1.00 60.10 H new ATOM 0 HG11 VAL A 56 4.251 -0.877 -0.733 1.00 51.32 H new ATOM 0 HG12 VAL A 56 2.782 -1.881 -0.690 1.00 51.32 H new ATOM 0 HG13 VAL A 56 3.406 -1.281 -2.246 1.00 51.32 H new ATOM 0 HG21 VAL A 56 4.100 1.569 -1.206 1.00 73.41 H new ATOM 0 HG22 VAL A 56 3.215 1.321 -2.730 1.00 73.41 H new ATOM 0 HG23 VAL A 56 2.523 2.355 -1.458 1.00 73.41 H new ATOM 897 N PHE A 57 -0.128 -2.104 -1.962 1.00 24.54 N ATOM 898 CA PHE A 57 -0.566 -3.451 -1.561 1.00 63.50 C ATOM 899 C PHE A 57 0.656 -4.389 -1.549 1.00 53.43 C ATOM 900 O PHE A 57 1.172 -4.738 -2.616 1.00 72.44 O ATOM 901 CB PHE A 57 -1.636 -4.003 -2.558 1.00 63.44 C ATOM 902 CG PHE A 57 -3.033 -3.376 -2.455 1.00 64.43 C ATOM 903 CD1 PHE A 57 -3.245 -2.029 -2.736 1.00 10.42 C ATOM 904 CD2 PHE A 57 -4.138 -4.150 -2.093 1.00 74.21 C ATOM 905 CE1 PHE A 57 -4.514 -1.479 -2.660 1.00 63.11 C ATOM 906 CE2 PHE A 57 -5.400 -3.600 -2.016 1.00 73.25 C ATOM 907 CZ PHE A 57 -5.588 -2.264 -2.296 1.00 14.41 C ATOM 0 H PHE A 57 -0.176 -1.940 -2.968 1.00 24.54 H new ATOM 0 HA PHE A 57 -1.013 -3.399 -0.568 1.00 63.50 H new ATOM 0 HB2 PHE A 57 -1.268 -3.858 -3.574 1.00 63.44 H new ATOM 0 HB3 PHE A 57 -1.729 -5.078 -2.403 1.00 63.44 H new ATOM 0 HD1 PHE A 57 -2.409 -1.405 -3.017 1.00 10.42 H new ATOM 0 HD2 PHE A 57 -4.001 -5.198 -1.869 1.00 74.21 H new ATOM 0 HE1 PHE A 57 -4.663 -0.433 -2.886 1.00 63.11 H new ATOM 0 HE2 PHE A 57 -6.241 -4.217 -1.736 1.00 73.25 H new ATOM 0 HZ PHE A 57 -6.576 -1.832 -2.230 1.00 14.41 H new ATOM 917 N VAL A 58 1.129 -4.787 -0.356 1.00 33.51 N ATOM 918 CA VAL A 58 2.153 -5.847 -0.246 1.00 73.34 C ATOM 919 C VAL A 58 1.432 -7.211 -0.337 1.00 23.12 C ATOM 920 O VAL A 58 0.734 -7.631 0.597 1.00 25.31 O ATOM 921 CB VAL A 58 3.076 -5.739 1.044 1.00 33.35 C ATOM 922 CG1 VAL A 58 4.008 -4.507 0.975 1.00 13.10 C ATOM 923 CG2 VAL A 58 2.277 -5.735 2.361 1.00 54.30 C ATOM 0 H VAL A 58 0.825 -4.398 0.537 1.00 33.51 H new ATOM 0 HA VAL A 58 2.856 -5.729 -1.070 1.00 73.34 H new ATOM 0 HB VAL A 58 3.688 -6.641 1.045 1.00 33.35 H new ATOM 0 HG11 VAL A 58 4.624 -4.466 1.873 1.00 13.10 H new ATOM 0 HG12 VAL A 58 4.650 -4.585 0.098 1.00 13.10 H new ATOM 0 HG13 VAL A 58 3.408 -3.600 0.905 1.00 13.10 H new ATOM 0 HG21 VAL A 58 2.965 -5.659 3.203 1.00 54.30 H new ATOM 0 HG22 VAL A 58 1.596 -4.884 2.371 1.00 54.30 H new ATOM 0 HG23 VAL A 58 1.704 -6.659 2.442 1.00 54.30 H new ATOM 933 N ASN A 59 1.550 -7.863 -1.512 1.00 14.43 N ATOM 934 CA ASN A 59 0.801 -9.093 -1.831 1.00 21.43 C ATOM 935 C ASN A 59 1.353 -10.296 -1.044 1.00 10.00 C ATOM 936 O ASN A 59 2.199 -11.040 -1.549 1.00 73.13 O ATOM 937 CB ASN A 59 0.805 -9.368 -3.361 1.00 2.20 C ATOM 938 CG ASN A 59 -0.018 -10.605 -3.754 1.00 72.41 C ATOM 939 OD1 ASN A 59 -1.022 -10.923 -3.114 1.00 5.52 O ATOM 940 ND2 ASN A 59 0.392 -11.309 -4.800 1.00 42.31 N ATOM 0 H ASN A 59 2.166 -7.552 -2.263 1.00 14.43 H new ATOM 0 HA ASN A 59 -0.235 -8.945 -1.525 1.00 21.43 H new ATOM 0 HB2 ASN A 59 0.410 -8.496 -3.882 1.00 2.20 H new ATOM 0 HB3 ASN A 59 1.833 -9.501 -3.697 1.00 2.20 H new ATOM 0 HD21 ASN A 59 -0.127 -12.137 -5.093 1.00 42.31 H new ATOM 0 HD22 ASN A 59 1.227 -11.023 -5.312 1.00 42.31 H new ATOM 947 N GLY A 60 0.889 -10.427 0.220 1.00 62.14 N ATOM 948 CA GLY A 60 1.308 -11.502 1.123 1.00 43.30 C ATOM 949 C GLY A 60 2.816 -11.549 1.322 1.00 20.23 C ATOM 950 O GLY A 60 3.402 -12.627 1.452 1.00 61.35 O ATOM 0 H GLY A 60 0.213 -9.785 0.635 1.00 62.14 H new ATOM 0 HA2 GLY A 60 0.822 -11.369 2.090 1.00 43.30 H new ATOM 0 HA3 GLY A 60 0.968 -12.458 0.725 1.00 43.30 H new ATOM 954 N ALA A 61 3.434 -10.357 1.309 1.00 62.11 N ATOM 955 CA ALA A 61 4.888 -10.192 1.434 1.00 31.45 C ATOM 956 C ALA A 61 5.342 -10.408 2.891 1.00 61.30 C ATOM 957 O ALA A 61 4.514 -10.649 3.777 1.00 60.34 O ATOM 958 CB ALA A 61 5.292 -8.808 0.904 1.00 73.13 C ATOM 0 H ALA A 61 2.933 -9.474 1.211 1.00 62.11 H new ATOM 0 HA ALA A 61 5.393 -10.949 0.833 1.00 31.45 H new ATOM 0 HB1 ALA A 61 6.371 -8.684 0.996 1.00 73.13 H new ATOM 0 HB2 ALA A 61 5.005 -8.722 -0.144 1.00 73.13 H new ATOM 0 HB3 ALA A 61 4.787 -8.035 1.483 1.00 73.13 H new ATOM 964 N SER A 62 6.658 -10.333 3.126 1.00 51.44 N ATOM 965 CA SER A 62 7.251 -10.544 4.456 1.00 53.32 C ATOM 966 C SER A 62 7.039 -9.305 5.345 1.00 64.43 C ATOM 967 O SER A 62 6.954 -8.179 4.846 1.00 70.50 O ATOM 968 CB SER A 62 8.764 -10.841 4.318 1.00 4.03 C ATOM 969 OG SER A 62 9.378 -11.043 5.585 1.00 63.14 O ATOM 0 H SER A 62 7.343 -10.124 2.400 1.00 51.44 H new ATOM 0 HA SER A 62 6.759 -11.396 4.924 1.00 53.32 H new ATOM 0 HB2 SER A 62 8.906 -11.727 3.699 1.00 4.03 H new ATOM 0 HB3 SER A 62 9.252 -10.012 3.805 1.00 4.03 H new ATOM 0 HG SER A 62 10.332 -11.230 5.460 1.00 63.14 H new ATOM 975 N GLN A 63 6.975 -9.531 6.672 1.00 31.41 N ATOM 976 CA GLN A 63 6.961 -8.451 7.675 1.00 30.24 C ATOM 977 C GLN A 63 8.259 -7.609 7.584 1.00 3.03 C ATOM 978 O GLN A 63 8.249 -6.424 7.895 1.00 12.41 O ATOM 979 CB GLN A 63 6.773 -9.055 9.099 1.00 21.33 C ATOM 980 CG GLN A 63 6.749 -8.045 10.280 1.00 50.22 C ATOM 981 CD GLN A 63 5.642 -6.980 10.185 1.00 14.12 C ATOM 982 OE1 GLN A 63 4.513 -7.193 10.626 1.00 64.42 O ATOM 983 NE2 GLN A 63 5.960 -5.820 9.640 1.00 41.54 N ATOM 0 H GLN A 63 6.932 -10.466 7.077 1.00 31.41 H new ATOM 0 HA GLN A 63 6.122 -7.785 7.473 1.00 30.24 H new ATOM 0 HB2 GLN A 63 5.839 -9.617 9.111 1.00 21.33 H new ATOM 0 HB3 GLN A 63 7.577 -9.769 9.276 1.00 21.33 H new ATOM 0 HG2 GLN A 63 6.626 -8.597 11.212 1.00 50.22 H new ATOM 0 HG3 GLN A 63 7.715 -7.543 10.332 1.00 50.22 H new ATOM 0 HE21 GLN A 63 6.902 -5.666 9.281 1.00 41.54 H new ATOM 0 HE22 GLN A 63 5.263 -5.078 9.578 1.00 41.54 H new ATOM 992 N ASN A 64 9.349 -8.239 7.101 1.00 1.14 N ATOM 993 CA ASN A 64 10.669 -7.598 6.956 1.00 31.11 C ATOM 994 C ASN A 64 10.624 -6.418 5.969 1.00 12.50 C ATOM 995 O ASN A 64 11.010 -5.309 6.333 1.00 42.24 O ATOM 996 CB ASN A 64 11.742 -8.620 6.498 1.00 33.02 C ATOM 997 CG ASN A 64 11.958 -9.772 7.485 1.00 12.04 C ATOM 998 OD1 ASN A 64 11.038 -10.214 8.167 1.00 32.41 O ATOM 999 ND2 ASN A 64 13.177 -10.277 7.564 1.00 45.32 N ATOM 0 H ASN A 64 9.337 -9.213 6.799 1.00 1.14 H new ATOM 0 HA ASN A 64 10.942 -7.215 7.939 1.00 31.11 H new ATOM 0 HB2 ASN A 64 11.450 -9.031 5.532 1.00 33.02 H new ATOM 0 HB3 ASN A 64 12.688 -8.098 6.350 1.00 33.02 H new ATOM 0 HD21 ASN A 64 13.368 -11.050 8.201 1.00 45.32 H new ATOM 0 HD22 ASN A 64 13.926 -9.894 6.988 1.00 45.32 H new ATOM 1006 N ASP A 65 10.123 -6.662 4.734 1.00 62.24 N ATOM 1007 CA ASP A 65 10.066 -5.619 3.678 1.00 44.44 C ATOM 1008 C ASP A 65 9.042 -4.531 4.041 1.00 24.33 C ATOM 1009 O ASP A 65 9.197 -3.371 3.648 1.00 40.21 O ATOM 1010 CB ASP A 65 9.773 -6.222 2.274 1.00 74.03 C ATOM 1011 CG ASP A 65 8.410 -6.928 2.143 1.00 3.00 C ATOM 1012 OD1 ASP A 65 7.373 -6.246 1.977 1.00 2.10 O ATOM 1013 OD2 ASP A 65 8.386 -8.178 2.176 1.00 64.10 O ATOM 0 H ASP A 65 9.754 -7.568 4.444 1.00 62.24 H new ATOM 0 HA ASP A 65 11.052 -5.157 3.624 1.00 44.44 H new ATOM 0 HB2 ASP A 65 9.825 -5.424 1.534 1.00 74.03 H new ATOM 0 HB3 ASP A 65 10.560 -6.935 2.029 1.00 74.03 H new ATOM 1018 N VAL A 66 8.000 -4.933 4.800 1.00 2.31 N ATOM 1019 CA VAL A 66 7.040 -4.012 5.434 1.00 4.54 C ATOM 1020 C VAL A 66 7.759 -3.047 6.402 1.00 74.21 C ATOM 1021 O VAL A 66 7.476 -1.846 6.405 1.00 71.31 O ATOM 1022 CB VAL A 66 5.915 -4.820 6.189 1.00 44.41 C ATOM 1023 CG1 VAL A 66 5.057 -3.927 7.122 1.00 45.42 C ATOM 1024 CG2 VAL A 66 5.032 -5.596 5.175 1.00 52.34 C ATOM 0 H VAL A 66 7.802 -5.915 4.990 1.00 2.31 H new ATOM 0 HA VAL A 66 6.571 -3.417 4.650 1.00 4.54 H new ATOM 0 HB VAL A 66 6.415 -5.539 6.837 1.00 44.41 H new ATOM 0 HG11 VAL A 66 4.300 -4.537 7.614 1.00 45.42 H new ATOM 0 HG12 VAL A 66 5.697 -3.466 7.874 1.00 45.42 H new ATOM 0 HG13 VAL A 66 4.570 -3.149 6.534 1.00 45.42 H new ATOM 0 HG21 VAL A 66 4.261 -6.148 5.712 1.00 52.34 H new ATOM 0 HG22 VAL A 66 4.562 -4.892 4.488 1.00 52.34 H new ATOM 0 HG23 VAL A 66 5.652 -6.294 4.612 1.00 52.34 H new ATOM 1034 N ASN A 67 8.697 -3.584 7.214 1.00 33.11 N ATOM 1035 CA ASN A 67 9.496 -2.775 8.165 1.00 15.11 C ATOM 1036 C ASN A 67 10.380 -1.795 7.401 1.00 33.31 C ATOM 1037 O ASN A 67 10.453 -0.626 7.761 1.00 72.51 O ATOM 1038 CB ASN A 67 10.385 -3.659 9.076 1.00 22.23 C ATOM 1039 CG ASN A 67 9.598 -4.661 9.906 1.00 3.25 C ATOM 1040 OD1 ASN A 67 8.444 -4.425 10.267 1.00 32.52 O ATOM 1041 ND2 ASN A 67 10.204 -5.798 10.197 1.00 1.23 N ATOM 0 H ASN A 67 8.921 -4.579 7.230 1.00 33.11 H new ATOM 0 HA ASN A 67 8.794 -2.234 8.799 1.00 15.11 H new ATOM 0 HB2 ASN A 67 11.103 -4.197 8.457 1.00 22.23 H new ATOM 0 HB3 ASN A 67 10.958 -3.016 9.744 1.00 22.23 H new ATOM 0 HD21 ASN A 67 9.715 -6.513 10.736 1.00 1.23 H new ATOM 0 HD22 ASN A 67 11.160 -5.961 9.882 1.00 1.23 H new ATOM 1048 N GLU A 68 11.011 -2.297 6.318 1.00 74.42 N ATOM 1049 CA GLU A 68 11.886 -1.493 5.448 1.00 41.05 C ATOM 1050 C GLU A 68 11.098 -0.347 4.811 1.00 62.44 C ATOM 1051 O GLU A 68 11.607 0.754 4.683 1.00 72.54 O ATOM 1052 CB GLU A 68 12.541 -2.373 4.350 1.00 71.44 C ATOM 1053 CG GLU A 68 13.316 -3.596 4.884 1.00 55.12 C ATOM 1054 CD GLU A 68 14.451 -3.240 5.869 1.00 32.11 C ATOM 1055 OE1 GLU A 68 14.187 -3.075 7.086 1.00 33.14 O ATOM 1056 OE2 GLU A 68 15.616 -3.129 5.432 1.00 10.45 O ATOM 0 H GLU A 68 10.926 -3.270 6.025 1.00 74.42 H new ATOM 0 HA GLU A 68 12.681 -1.072 6.064 1.00 41.05 H new ATOM 0 HB2 GLU A 68 11.763 -2.721 3.670 1.00 71.44 H new ATOM 0 HB3 GLU A 68 13.222 -1.755 3.766 1.00 71.44 H new ATOM 0 HG2 GLU A 68 12.616 -4.268 5.380 1.00 55.12 H new ATOM 0 HG3 GLU A 68 13.739 -4.142 4.041 1.00 55.12 H new ATOM 1063 N PHE A 69 9.828 -0.629 4.469 1.00 42.40 N ATOM 1064 CA PHE A 69 8.914 0.360 3.888 1.00 54.22 C ATOM 1065 C PHE A 69 8.649 1.500 4.878 1.00 53.22 C ATOM 1066 O PHE A 69 8.721 2.675 4.519 1.00 64.43 O ATOM 1067 CB PHE A 69 7.578 -0.315 3.479 1.00 4.45 C ATOM 1068 CG PHE A 69 6.661 0.601 2.675 1.00 53.32 C ATOM 1069 CD1 PHE A 69 6.818 0.726 1.295 1.00 33.40 C ATOM 1070 CD2 PHE A 69 5.666 1.357 3.299 1.00 41.31 C ATOM 1071 CE1 PHE A 69 6.013 1.572 0.570 1.00 3.24 C ATOM 1072 CE2 PHE A 69 4.868 2.201 2.571 1.00 3.14 C ATOM 1073 CZ PHE A 69 5.040 2.308 1.208 1.00 24.44 C ATOM 0 H PHE A 69 9.410 -1.552 4.590 1.00 42.40 H new ATOM 0 HA PHE A 69 9.384 0.778 2.998 1.00 54.22 H new ATOM 0 HB2 PHE A 69 7.795 -1.207 2.892 1.00 4.45 H new ATOM 0 HB3 PHE A 69 7.055 -0.644 4.377 1.00 4.45 H new ATOM 0 HD1 PHE A 69 7.581 0.152 0.790 1.00 33.40 H new ATOM 0 HD2 PHE A 69 5.524 1.276 4.367 1.00 41.31 H new ATOM 0 HE1 PHE A 69 6.144 1.659 -0.499 1.00 3.24 H new ATOM 0 HE2 PHE A 69 4.104 2.782 3.066 1.00 3.14 H new ATOM 0 HZ PHE A 69 4.408 2.973 0.637 1.00 24.44 H new ATOM 1083 N GLN A 70 8.354 1.112 6.126 1.00 51.03 N ATOM 1084 CA GLN A 70 8.053 2.043 7.219 1.00 3.23 C ATOM 1085 C GLN A 70 9.290 2.898 7.573 1.00 10.23 C ATOM 1086 O GLN A 70 9.165 4.104 7.787 1.00 74.42 O ATOM 1087 CB GLN A 70 7.567 1.245 8.453 1.00 61.25 C ATOM 1088 CG GLN A 70 6.255 0.459 8.238 1.00 54.34 C ATOM 1089 CD GLN A 70 5.901 -0.431 9.432 1.00 55.22 C ATOM 1090 OE1 GLN A 70 6.366 -1.673 9.410 1.00 62.02 O flip ATOM 1091 NE2 GLN A 70 5.222 -0.004 10.366 1.00 52.43 N flip ATOM 0 H GLN A 70 8.318 0.132 6.407 1.00 51.03 H new ATOM 0 HA GLN A 70 7.264 2.723 6.898 1.00 3.23 H new ATOM 0 HB2 GLN A 70 8.349 0.546 8.747 1.00 61.25 H new ATOM 0 HB3 GLN A 70 7.428 1.936 9.284 1.00 61.25 H new ATOM 0 HG2 GLN A 70 5.440 1.161 8.058 1.00 54.34 H new ATOM 0 HG3 GLN A 70 6.347 -0.158 7.344 1.00 54.34 H new ATOM 0 HE21 GLN A 70 4.880 0.957 10.351 1.00 52.43 H new ATOM 0 HE22 GLN A 70 5.001 -0.611 11.155 1.00 52.43 H new ATOM 1100 N ASN A 71 10.477 2.246 7.585 1.00 13.54 N ATOM 1101 CA ASN A 71 11.777 2.882 7.915 1.00 24.15 C ATOM 1102 C ASN A 71 12.131 3.951 6.873 1.00 1.43 C ATOM 1103 O ASN A 71 12.416 5.110 7.206 1.00 42.41 O ATOM 1104 CB ASN A 71 12.918 1.813 7.964 1.00 64.25 C ATOM 1105 CG ASN A 71 12.787 0.803 9.108 1.00 4.23 C ATOM 1106 OD1 ASN A 71 12.310 1.134 10.193 1.00 50.33 O ATOM 1107 ND2 ASN A 71 13.197 -0.442 8.870 1.00 3.34 N ATOM 0 H ASN A 71 10.561 1.254 7.364 1.00 13.54 H new ATOM 0 HA ASN A 71 11.682 3.349 8.895 1.00 24.15 H new ATOM 0 HB2 ASN A 71 12.934 1.272 7.018 1.00 64.25 H new ATOM 0 HB3 ASN A 71 13.876 2.325 8.055 1.00 64.25 H new ATOM 0 HD21 ASN A 71 13.120 -1.152 9.598 1.00 3.34 H new ATOM 0 HD22 ASN A 71 13.588 -0.685 7.960 1.00 3.34 H new ATOM 1114 N GLU A 72 12.069 3.537 5.605 1.00 52.01 N ATOM 1115 CA GLU A 72 12.457 4.364 4.460 1.00 1.54 C ATOM 1116 C GLU A 72 11.415 5.443 4.159 1.00 34.30 C ATOM 1117 O GLU A 72 11.728 6.429 3.501 1.00 31.44 O ATOM 1118 CB GLU A 72 12.746 3.470 3.238 1.00 25.11 C ATOM 1119 CG GLU A 72 13.891 2.465 3.483 1.00 0.21 C ATOM 1120 CD GLU A 72 14.183 1.572 2.277 1.00 51.35 C ATOM 1121 OE1 GLU A 72 14.832 2.058 1.328 1.00 1.43 O ATOM 1122 OE2 GLU A 72 13.778 0.383 2.276 1.00 52.23 O ATOM 0 H GLU A 72 11.744 2.607 5.342 1.00 52.01 H new ATOM 0 HA GLU A 72 13.375 4.896 4.711 1.00 1.54 H new ATOM 0 HB2 GLU A 72 11.841 2.924 2.973 1.00 25.11 H new ATOM 0 HB3 GLU A 72 12.999 4.100 2.386 1.00 25.11 H new ATOM 0 HG2 GLU A 72 14.795 3.013 3.747 1.00 0.21 H new ATOM 0 HG3 GLU A 72 13.637 1.838 4.337 1.00 0.21 H new ATOM 1129 N ALA A 73 10.176 5.250 4.634 1.00 30.41 N ATOM 1130 CA ALA A 73 9.139 6.284 4.561 1.00 2.31 C ATOM 1131 C ALA A 73 9.411 7.397 5.600 1.00 4.01 C ATOM 1132 O ALA A 73 9.516 8.571 5.231 1.00 25.43 O ATOM 1133 CB ALA A 73 7.748 5.666 4.752 1.00 13.24 C ATOM 0 H ALA A 73 9.869 4.383 5.074 1.00 30.41 H new ATOM 0 HA ALA A 73 9.167 6.739 3.571 1.00 2.31 H new ATOM 0 HB1 ALA A 73 6.991 6.448 4.695 1.00 13.24 H new ATOM 0 HB2 ALA A 73 7.567 4.928 3.970 1.00 13.24 H new ATOM 0 HB3 ALA A 73 7.696 5.182 5.727 1.00 13.24 H new ATOM 1139 N LYS A 74 9.597 7.008 6.890 1.00 23.21 N ATOM 1140 CA LYS A 74 9.725 7.977 8.012 1.00 61.21 C ATOM 1141 C LYS A 74 11.006 8.822 7.919 1.00 13.33 C ATOM 1142 O LYS A 74 10.985 10.008 8.270 1.00 33.21 O ATOM 1143 CB LYS A 74 9.580 7.285 9.419 1.00 40.21 C ATOM 1144 CG LYS A 74 10.540 6.103 9.755 1.00 0.45 C ATOM 1145 CD LYS A 74 11.938 6.517 10.287 1.00 50.51 C ATOM 1146 CE LYS A 74 11.871 7.327 11.596 1.00 62.10 C ATOM 1147 NZ LYS A 74 13.228 7.613 12.131 1.00 14.23 N ATOM 0 H LYS A 74 9.662 6.032 7.178 1.00 23.21 H new ATOM 0 HA LYS A 74 8.888 8.668 7.911 1.00 61.21 H new ATOM 0 HB2 LYS A 74 9.713 8.051 10.183 1.00 40.21 H new ATOM 0 HB3 LYS A 74 8.557 6.920 9.508 1.00 40.21 H new ATOM 0 HG2 LYS A 74 10.060 5.466 10.498 1.00 0.45 H new ATOM 0 HG3 LYS A 74 10.675 5.499 8.858 1.00 0.45 H new ATOM 0 HD2 LYS A 74 12.537 5.622 10.451 1.00 50.51 H new ATOM 0 HD3 LYS A 74 12.449 7.108 9.527 1.00 50.51 H new ATOM 0 HE2 LYS A 74 11.344 8.264 11.418 1.00 62.10 H new ATOM 0 HE3 LYS A 74 11.296 6.774 12.338 1.00 62.10 H new ATOM 0 HZ1 LYS A 74 13.146 8.159 13.012 1.00 14.23 H new ATOM 0 HZ2 LYS A 74 13.721 6.718 12.324 1.00 14.23 H new ATOM 0 HZ3 LYS A 74 13.768 8.162 11.432 1.00 14.23 H new ATOM 1161 N LYS A 75 12.107 8.222 7.417 1.00 15.13 N ATOM 1162 CA LYS A 75 13.402 8.935 7.283 1.00 52.43 C ATOM 1163 C LYS A 75 13.331 9.999 6.165 1.00 1.43 C ATOM 1164 O LYS A 75 14.032 11.010 6.221 1.00 41.44 O ATOM 1165 CB LYS A 75 14.573 7.946 7.029 1.00 71.35 C ATOM 1166 CG LYS A 75 14.505 7.186 5.688 1.00 62.11 C ATOM 1167 CD LYS A 75 15.669 6.187 5.490 1.00 30.53 C ATOM 1168 CE LYS A 75 17.047 6.870 5.452 1.00 13.12 C ATOM 1169 NZ LYS A 75 17.134 7.926 4.402 1.00 72.23 N ATOM 0 H LYS A 75 12.129 7.253 7.099 1.00 15.13 H new ATOM 0 HA LYS A 75 13.597 9.443 8.228 1.00 52.43 H new ATOM 0 HB2 LYS A 75 15.511 8.499 7.069 1.00 71.35 H new ATOM 0 HB3 LYS A 75 14.597 7.219 7.841 1.00 71.35 H new ATOM 0 HG2 LYS A 75 13.559 6.647 5.632 1.00 62.11 H new ATOM 0 HG3 LYS A 75 14.511 7.906 4.870 1.00 62.11 H new ATOM 0 HD2 LYS A 75 15.654 5.456 6.298 1.00 30.53 H new ATOM 0 HD3 LYS A 75 15.516 5.638 4.561 1.00 30.53 H new ATOM 0 HE2 LYS A 75 17.256 7.313 6.426 1.00 13.12 H new ATOM 0 HE3 LYS A 75 17.816 6.119 5.272 1.00 13.12 H new ATOM 0 HZ1 LYS A 75 17.953 7.739 3.788 1.00 72.23 H new ATOM 0 HZ2 LYS A 75 16.265 7.920 3.831 1.00 72.23 H new ATOM 0 HZ3 LYS A 75 17.245 8.856 4.854 1.00 72.23 H new ATOM 1183 N GLU A 76 12.468 9.753 5.157 1.00 65.32 N ATOM 1184 CA GLU A 76 12.213 10.709 4.057 1.00 3.12 C ATOM 1185 C GLU A 76 11.056 11.664 4.413 1.00 63.33 C ATOM 1186 O GLU A 76 10.807 12.635 3.687 1.00 61.20 O ATOM 1187 CB GLU A 76 11.896 9.946 2.741 1.00 64.10 C ATOM 1188 CG GLU A 76 12.985 8.949 2.281 1.00 62.12 C ATOM 1189 CD GLU A 76 14.372 9.584 2.086 1.00 3.23 C ATOM 1190 OE1 GLU A 76 14.637 10.126 0.990 1.00 23.41 O ATOM 1191 OE2 GLU A 76 15.204 9.540 3.021 1.00 60.12 O ATOM 0 H GLU A 76 11.930 8.890 5.082 1.00 65.32 H new ATOM 0 HA GLU A 76 13.114 11.305 3.910 1.00 3.12 H new ATOM 0 HB2 GLU A 76 10.960 9.403 2.871 1.00 64.10 H new ATOM 0 HB3 GLU A 76 11.734 10.675 1.947 1.00 64.10 H new ATOM 0 HG2 GLU A 76 13.064 8.148 3.016 1.00 62.12 H new ATOM 0 HG3 GLU A 76 12.671 8.491 1.343 1.00 62.12 H new ATOM 1198 N GLY A 77 10.349 11.363 5.525 1.00 2.32 N ATOM 1199 CA GLY A 77 9.212 12.162 6.002 1.00 43.43 C ATOM 1200 C GLY A 77 7.878 11.744 5.386 1.00 34.13 C ATOM 1201 O GLY A 77 6.835 12.317 5.726 1.00 2.04 O ATOM 0 H GLY A 77 10.556 10.556 6.114 1.00 2.32 H new ATOM 0 HA2 GLY A 77 9.146 12.076 7.087 1.00 43.43 H new ATOM 0 HA3 GLY A 77 9.395 13.213 5.776 1.00 43.43 H new ATOM 1205 N VAL A 78 7.922 10.747 4.473 1.00 12.30 N ATOM 1206 CA VAL A 78 6.738 10.207 3.789 1.00 61.21 C ATOM 1207 C VAL A 78 5.794 9.569 4.826 1.00 31.54 C ATOM 1208 O VAL A 78 6.113 8.523 5.411 1.00 25.34 O ATOM 1209 CB VAL A 78 7.137 9.151 2.680 1.00 4.32 C ATOM 1210 CG1 VAL A 78 5.891 8.532 1.996 1.00 51.41 C ATOM 1211 CG2 VAL A 78 8.104 9.773 1.636 1.00 21.00 C ATOM 0 H VAL A 78 8.792 10.294 4.192 1.00 12.30 H new ATOM 0 HA VAL A 78 6.227 11.028 3.286 1.00 61.21 H new ATOM 0 HB VAL A 78 7.663 8.339 3.181 1.00 4.32 H new ATOM 0 HG11 VAL A 78 6.210 7.813 1.242 1.00 51.41 H new ATOM 0 HG12 VAL A 78 5.279 8.027 2.743 1.00 51.41 H new ATOM 0 HG13 VAL A 78 5.307 9.321 1.521 1.00 51.41 H new ATOM 0 HG21 VAL A 78 8.361 9.024 0.887 1.00 21.00 H new ATOM 0 HG22 VAL A 78 7.620 10.621 1.151 1.00 21.00 H new ATOM 0 HG23 VAL A 78 9.011 10.111 2.137 1.00 21.00 H new ATOM 1221 N SER A 79 4.666 10.252 5.074 1.00 1.22 N ATOM 1222 CA SER A 79 3.665 9.855 6.063 1.00 14.44 C ATOM 1223 C SER A 79 2.950 8.559 5.636 1.00 31.22 C ATOM 1224 O SER A 79 1.958 8.585 4.903 1.00 52.31 O ATOM 1225 CB SER A 79 2.662 11.011 6.260 1.00 31.33 C ATOM 1226 OG SER A 79 3.331 12.208 6.644 1.00 11.51 O ATOM 0 H SER A 79 4.424 11.111 4.581 1.00 1.22 H new ATOM 0 HA SER A 79 4.159 9.649 7.013 1.00 14.44 H new ATOM 0 HB2 SER A 79 2.110 11.179 5.335 1.00 31.33 H new ATOM 0 HB3 SER A 79 1.932 10.738 7.022 1.00 31.33 H new ATOM 0 HG SER A 79 2.803 12.674 7.326 1.00 11.51 H new ATOM 1232 N TYR A 80 3.497 7.425 6.088 1.00 3.34 N ATOM 1233 CA TYR A 80 2.951 6.099 5.787 1.00 55.10 C ATOM 1234 C TYR A 80 1.812 5.768 6.758 1.00 31.12 C ATOM 1235 O TYR A 80 1.779 6.265 7.897 1.00 53.42 O ATOM 1236 CB TYR A 80 4.068 5.016 5.847 1.00 32.11 C ATOM 1237 CG TYR A 80 4.695 4.802 7.245 1.00 71.04 C ATOM 1238 CD1 TYR A 80 5.729 5.620 7.712 1.00 44.32 C ATOM 1239 CD2 TYR A 80 4.248 3.787 8.099 1.00 62.13 C ATOM 1240 CE1 TYR A 80 6.279 5.440 8.967 1.00 53.20 C ATOM 1241 CE2 TYR A 80 4.795 3.610 9.358 1.00 70.32 C ATOM 1242 CZ TYR A 80 5.815 4.436 9.786 1.00 64.42 C ATOM 1243 OH TYR A 80 6.368 4.261 11.042 1.00 12.54 O ATOM 0 H TYR A 80 4.332 7.402 6.674 1.00 3.34 H new ATOM 0 HA TYR A 80 2.550 6.107 4.773 1.00 55.10 H new ATOM 0 HB2 TYR A 80 3.654 4.069 5.502 1.00 32.11 H new ATOM 0 HB3 TYR A 80 4.858 5.291 5.149 1.00 32.11 H new ATOM 0 HD1 TYR A 80 6.106 6.409 7.078 1.00 44.32 H new ATOM 0 HD2 TYR A 80 3.459 3.128 7.768 1.00 62.13 H new ATOM 0 HE1 TYR A 80 7.074 6.088 9.305 1.00 53.20 H new ATOM 0 HE2 TYR A 80 4.425 2.828 10.004 1.00 70.32 H new ATOM 0 HH TYR A 80 5.927 3.510 11.492 1.00 12.54 H new ATOM 1253 N ASP A 81 0.891 4.925 6.300 1.00 22.31 N ATOM 1254 CA ASP A 81 -0.247 4.468 7.099 1.00 73.32 C ATOM 1255 C ASP A 81 -0.283 2.943 7.034 1.00 70.12 C ATOM 1256 O ASP A 81 -0.395 2.369 5.955 1.00 24.03 O ATOM 1257 CB ASP A 81 -1.566 5.075 6.553 1.00 43.31 C ATOM 1258 CG ASP A 81 -2.732 4.982 7.554 1.00 3.23 C ATOM 1259 OD1 ASP A 81 -3.373 3.916 7.648 1.00 45.33 O ATOM 1260 OD2 ASP A 81 -2.989 5.975 8.273 1.00 40.12 O ATOM 0 H ASP A 81 0.912 4.536 5.357 1.00 22.31 H new ATOM 0 HA ASP A 81 -0.141 4.793 8.134 1.00 73.32 H new ATOM 0 HB2 ASP A 81 -1.399 6.121 6.295 1.00 43.31 H new ATOM 0 HB3 ASP A 81 -1.843 4.560 5.633 1.00 43.31 H new ATOM 1265 N VAL A 82 -0.194 2.306 8.192 1.00 64.04 N ATOM 1266 CA VAL A 82 -0.114 0.841 8.310 1.00 33.10 C ATOM 1267 C VAL A 82 -1.533 0.276 8.433 1.00 32.01 C ATOM 1268 O VAL A 82 -2.297 0.732 9.282 1.00 51.13 O ATOM 1269 CB VAL A 82 0.758 0.423 9.560 1.00 15.30 C ATOM 1270 CG1 VAL A 82 0.853 -1.113 9.715 1.00 34.03 C ATOM 1271 CG2 VAL A 82 2.165 1.065 9.491 1.00 43.24 C ATOM 0 H VAL A 82 -0.174 2.788 9.091 1.00 64.04 H new ATOM 0 HA VAL A 82 0.368 0.434 7.421 1.00 33.10 H new ATOM 0 HB VAL A 82 0.252 0.802 10.448 1.00 15.30 H new ATOM 0 HG11 VAL A 82 1.462 -1.354 10.587 1.00 34.03 H new ATOM 0 HG12 VAL A 82 -0.147 -1.528 9.844 1.00 34.03 H new ATOM 0 HG13 VAL A 82 1.311 -1.541 8.823 1.00 34.03 H new ATOM 0 HG21 VAL A 82 2.746 0.762 10.362 1.00 43.24 H new ATOM 0 HG22 VAL A 82 2.672 0.735 8.584 1.00 43.24 H new ATOM 0 HG23 VAL A 82 2.069 2.151 9.478 1.00 43.24 H new ATOM 1281 N LEU A 83 -1.881 -0.690 7.572 1.00 10.43 N ATOM 1282 CA LEU A 83 -3.214 -1.309 7.553 1.00 61.53 C ATOM 1283 C LEU A 83 -3.085 -2.839 7.454 1.00 34.10 C ATOM 1284 O LEU A 83 -2.571 -3.347 6.466 1.00 63.24 O ATOM 1285 CB LEU A 83 -4.017 -0.754 6.344 1.00 74.33 C ATOM 1286 CG LEU A 83 -5.464 -1.314 6.147 1.00 73.40 C ATOM 1287 CD1 LEU A 83 -6.399 -0.936 7.322 1.00 33.42 C ATOM 1288 CD2 LEU A 83 -6.032 -0.867 4.784 1.00 74.42 C ATOM 0 H LEU A 83 -1.245 -1.065 6.868 1.00 10.43 H new ATOM 0 HA LEU A 83 -3.741 -1.069 8.476 1.00 61.53 H new ATOM 0 HB2 LEU A 83 -4.082 0.329 6.447 1.00 74.33 H new ATOM 0 HB3 LEU A 83 -3.448 -0.954 5.436 1.00 74.33 H new ATOM 0 HG LEU A 83 -5.407 -2.403 6.145 1.00 73.40 H new ATOM 0 HD11 LEU A 83 -7.393 -1.346 7.142 1.00 33.42 H new ATOM 0 HD12 LEU A 83 -6.000 -1.345 8.250 1.00 33.42 H new ATOM 0 HD13 LEU A 83 -6.463 0.149 7.401 1.00 33.42 H new ATOM 0 HD21 LEU A 83 -7.039 -1.265 4.662 1.00 74.42 H new ATOM 0 HD22 LEU A 83 -6.064 0.222 4.743 1.00 74.42 H new ATOM 0 HD23 LEU A 83 -5.394 -1.242 3.983 1.00 74.42 H new ATOM 1300 N LYS A 84 -3.519 -3.555 8.506 1.00 20.43 N ATOM 1301 CA LYS A 84 -3.649 -5.032 8.501 1.00 1.50 C ATOM 1302 C LYS A 84 -5.139 -5.391 8.554 1.00 42.52 C ATOM 1303 O LYS A 84 -5.801 -5.123 9.565 1.00 5.43 O ATOM 1304 CB LYS A 84 -2.919 -5.702 9.712 1.00 73.30 C ATOM 1305 CG LYS A 84 -1.391 -5.865 9.587 1.00 11.23 C ATOM 1306 CD LYS A 84 -0.609 -4.540 9.680 1.00 23.04 C ATOM 1307 CE LYS A 84 0.906 -4.770 9.822 1.00 3.44 C ATOM 1308 NZ LYS A 84 1.242 -5.513 11.061 1.00 21.23 N ATOM 0 H LYS A 84 -3.792 -3.128 9.391 1.00 20.43 H new ATOM 0 HA LYS A 84 -3.181 -5.406 7.591 1.00 1.50 H new ATOM 0 HB2 LYS A 84 -3.128 -5.113 10.605 1.00 73.30 H new ATOM 0 HB3 LYS A 84 -3.356 -6.688 9.871 1.00 73.30 H new ATOM 0 HG2 LYS A 84 -1.042 -6.537 10.372 1.00 11.23 H new ATOM 0 HG3 LYS A 84 -1.164 -6.343 8.634 1.00 11.23 H new ATOM 0 HD2 LYS A 84 -0.802 -3.942 8.789 1.00 23.04 H new ATOM 0 HD3 LYS A 84 -0.970 -3.966 10.534 1.00 23.04 H new ATOM 0 HE2 LYS A 84 1.271 -5.324 8.957 1.00 3.44 H new ATOM 0 HE3 LYS A 84 1.420 -3.809 9.825 1.00 3.44 H new ATOM 0 HZ1 LYS A 84 2.247 -5.373 11.288 1.00 21.23 H new ATOM 0 HZ2 LYS A 84 0.657 -5.162 11.846 1.00 21.23 H new ATOM 0 HZ3 LYS A 84 1.058 -6.527 10.919 1.00 21.23 H new ATOM 1322 N SER A 85 -5.653 -5.985 7.472 1.00 51.02 N ATOM 1323 CA SER A 85 -7.042 -6.465 7.404 1.00 4.40 C ATOM 1324 C SER A 85 -7.162 -7.532 6.318 1.00 73.14 C ATOM 1325 O SER A 85 -6.650 -7.355 5.212 1.00 11.31 O ATOM 1326 CB SER A 85 -8.022 -5.299 7.118 1.00 74.41 C ATOM 1327 OG SER A 85 -9.378 -5.729 7.086 1.00 50.22 O ATOM 0 H SER A 85 -5.120 -6.148 6.618 1.00 51.02 H new ATOM 0 HA SER A 85 -7.307 -6.897 8.369 1.00 4.40 H new ATOM 0 HB2 SER A 85 -7.904 -4.532 7.884 1.00 74.41 H new ATOM 0 HB3 SER A 85 -7.767 -4.838 6.164 1.00 74.41 H new ATOM 0 HG SER A 85 -9.952 -5.029 7.462 1.00 50.22 H new ATOM 1333 N THR A 86 -7.819 -8.648 6.652 1.00 22.02 N ATOM 1334 CA THR A 86 -8.148 -9.712 5.698 1.00 53.32 C ATOM 1335 C THR A 86 -9.595 -9.568 5.188 1.00 5.01 C ATOM 1336 O THR A 86 -10.028 -10.358 4.348 1.00 60.35 O ATOM 1337 CB THR A 86 -7.921 -11.111 6.357 1.00 4.30 C ATOM 1338 OG1 THR A 86 -8.638 -11.192 7.600 1.00 54.11 O ATOM 1339 CG2 THR A 86 -6.422 -11.391 6.614 1.00 34.11 C ATOM 0 H THR A 86 -8.140 -8.840 7.601 1.00 22.02 H new ATOM 0 HA THR A 86 -7.486 -9.624 4.836 1.00 53.32 H new ATOM 0 HB THR A 86 -8.293 -11.863 5.661 1.00 4.30 H new ATOM 0 HG1 THR A 86 -8.492 -12.072 8.005 1.00 54.11 H new ATOM 0 HG21 THR A 86 -6.309 -12.373 7.073 1.00 34.11 H new ATOM 0 HG22 THR A 86 -5.880 -11.367 5.669 1.00 34.11 H new ATOM 0 HG23 THR A 86 -6.019 -10.630 7.282 1.00 34.11 H new ATOM 1347 N ASP A 87 -10.335 -8.553 5.694 1.00 2.35 N ATOM 1348 CA ASP A 87 -11.711 -8.257 5.255 1.00 40.30 C ATOM 1349 C ASP A 87 -11.686 -7.382 3.978 1.00 13.53 C ATOM 1350 O ASP A 87 -11.155 -6.262 4.013 1.00 13.13 O ATOM 1351 CB ASP A 87 -12.523 -7.561 6.384 1.00 13.21 C ATOM 1352 CG ASP A 87 -12.921 -8.536 7.508 1.00 74.22 C ATOM 1353 OD1 ASP A 87 -13.921 -9.257 7.346 1.00 43.22 O ATOM 1354 OD2 ASP A 87 -12.230 -8.605 8.538 1.00 25.34 O ATOM 0 H ASP A 87 -9.992 -7.920 6.416 1.00 2.35 H new ATOM 0 HA ASP A 87 -12.207 -9.200 5.024 1.00 40.30 H new ATOM 0 HB2 ASP A 87 -11.932 -6.748 6.805 1.00 13.21 H new ATOM 0 HB3 ASP A 87 -13.422 -7.115 5.959 1.00 13.21 H new ATOM 1359 N PRO A 88 -12.280 -7.875 2.836 1.00 20.55 N ATOM 1360 CA PRO A 88 -12.233 -7.169 1.530 1.00 32.23 C ATOM 1361 C PRO A 88 -13.017 -5.850 1.541 1.00 40.14 C ATOM 1362 O PRO A 88 -12.573 -4.861 0.948 1.00 61.24 O ATOM 1363 CB PRO A 88 -12.843 -8.195 0.536 1.00 21.00 C ATOM 1364 CG PRO A 88 -13.729 -9.062 1.381 1.00 22.15 C ATOM 1365 CD PRO A 88 -13.043 -9.159 2.729 1.00 35.44 C ATOM 0 HA PRO A 88 -11.220 -6.870 1.263 1.00 32.23 H new ATOM 0 HB2 PRO A 88 -13.410 -7.696 -0.250 1.00 21.00 H new ATOM 0 HB3 PRO A 88 -12.066 -8.781 0.045 1.00 21.00 H new ATOM 0 HG2 PRO A 88 -14.724 -8.628 1.478 1.00 22.15 H new ATOM 0 HG3 PRO A 88 -13.854 -10.048 0.933 1.00 22.15 H new ATOM 0 HD2 PRO A 88 -13.765 -9.264 3.539 1.00 35.44 H new ATOM 0 HD3 PRO A 88 -12.381 -10.023 2.779 1.00 35.44 H new ATOM 1373 N GLU A 89 -14.164 -5.854 2.248 1.00 72.43 N ATOM 1374 CA GLU A 89 -15.046 -4.685 2.386 1.00 55.24 C ATOM 1375 C GLU A 89 -14.288 -3.497 3.012 1.00 4.12 C ATOM 1376 O GLU A 89 -14.382 -2.354 2.520 1.00 11.10 O ATOM 1377 CB GLU A 89 -16.302 -5.065 3.224 1.00 1.14 C ATOM 1378 CG GLU A 89 -16.000 -5.622 4.637 1.00 65.30 C ATOM 1379 CD GLU A 89 -17.255 -6.095 5.386 1.00 61.12 C ATOM 1380 OE1 GLU A 89 -17.684 -7.246 5.158 1.00 32.34 O ATOM 1381 OE2 GLU A 89 -17.816 -5.320 6.193 1.00 13.00 O ATOM 0 H GLU A 89 -14.505 -6.678 2.743 1.00 72.43 H new ATOM 0 HA GLU A 89 -15.377 -4.372 1.396 1.00 55.24 H new ATOM 0 HB2 GLU A 89 -16.934 -4.183 3.325 1.00 1.14 H new ATOM 0 HB3 GLU A 89 -16.878 -5.808 2.672 1.00 1.14 H new ATOM 0 HG2 GLU A 89 -15.302 -6.455 4.550 1.00 65.30 H new ATOM 0 HG3 GLU A 89 -15.504 -4.850 5.225 1.00 65.30 H new ATOM 1388 N GLU A 90 -13.470 -3.798 4.054 1.00 31.20 N ATOM 1389 CA GLU A 90 -12.718 -2.773 4.769 1.00 45.45 C ATOM 1390 C GLU A 90 -11.551 -2.274 3.912 1.00 0.32 C ATOM 1391 O GLU A 90 -11.403 -1.075 3.744 1.00 30.04 O ATOM 1392 CB GLU A 90 -12.202 -3.237 6.156 1.00 43.20 C ATOM 1393 CG GLU A 90 -11.538 -2.076 6.939 1.00 23.34 C ATOM 1394 CD GLU A 90 -10.992 -2.451 8.314 1.00 23.23 C ATOM 1395 OE1 GLU A 90 -9.829 -2.875 8.392 1.00 15.35 O ATOM 1396 OE2 GLU A 90 -11.698 -2.280 9.324 1.00 21.54 O ATOM 0 H GLU A 90 -13.325 -4.745 4.405 1.00 31.20 H new ATOM 0 HA GLU A 90 -13.417 -1.958 4.957 1.00 45.45 H new ATOM 0 HB2 GLU A 90 -13.032 -3.640 6.737 1.00 43.20 H new ATOM 0 HB3 GLU A 90 -11.483 -4.045 6.025 1.00 43.20 H new ATOM 0 HG2 GLU A 90 -10.722 -1.674 6.339 1.00 23.34 H new ATOM 0 HG3 GLU A 90 -12.268 -1.276 7.061 1.00 23.34 H new ATOM 1403 N LEU A 91 -10.756 -3.197 3.339 1.00 51.43 N ATOM 1404 CA LEU A 91 -9.595 -2.823 2.496 1.00 51.32 C ATOM 1405 C LEU A 91 -10.015 -1.887 1.334 1.00 53.33 C ATOM 1406 O LEU A 91 -9.318 -0.917 1.034 1.00 74.34 O ATOM 1407 CB LEU A 91 -8.877 -4.083 1.940 1.00 12.03 C ATOM 1408 CG LEU A 91 -8.150 -4.997 2.973 1.00 61.43 C ATOM 1409 CD1 LEU A 91 -7.489 -6.204 2.271 1.00 0.14 C ATOM 1410 CD2 LEU A 91 -7.119 -4.199 3.796 1.00 0.10 C ATOM 0 H LEU A 91 -10.892 -4.203 3.441 1.00 51.43 H new ATOM 0 HA LEU A 91 -8.896 -2.280 3.133 1.00 51.32 H new ATOM 0 HB2 LEU A 91 -9.614 -4.688 1.412 1.00 12.03 H new ATOM 0 HB3 LEU A 91 -8.145 -3.757 1.201 1.00 12.03 H new ATOM 0 HG LEU A 91 -8.899 -5.380 3.666 1.00 61.43 H new ATOM 0 HD11 LEU A 91 -6.988 -6.827 3.012 1.00 0.14 H new ATOM 0 HD12 LEU A 91 -8.253 -6.791 1.760 1.00 0.14 H new ATOM 0 HD13 LEU A 91 -6.759 -5.847 1.544 1.00 0.14 H new ATOM 0 HD21 LEU A 91 -6.629 -4.863 4.507 1.00 0.10 H new ATOM 0 HD22 LEU A 91 -6.373 -3.770 3.127 1.00 0.10 H new ATOM 0 HD23 LEU A 91 -7.625 -3.399 4.336 1.00 0.10 H new ATOM 1422 N THR A 92 -11.192 -2.176 0.733 1.00 43.12 N ATOM 1423 CA THR A 92 -11.755 -1.393 -0.388 1.00 71.15 C ATOM 1424 C THR A 92 -12.145 0.033 0.059 1.00 24.03 C ATOM 1425 O THR A 92 -11.804 1.016 -0.625 1.00 61.32 O ATOM 1426 CB THR A 92 -12.991 -2.128 -1.019 1.00 33.41 C ATOM 1427 OG1 THR A 92 -12.593 -3.431 -1.479 1.00 71.01 O ATOM 1428 CG2 THR A 92 -13.613 -1.356 -2.206 1.00 54.14 C ATOM 0 H THR A 92 -11.779 -2.962 1.014 1.00 43.12 H new ATOM 0 HA THR A 92 -10.979 -1.306 -1.148 1.00 71.15 H new ATOM 0 HB THR A 92 -13.746 -2.198 -0.236 1.00 33.41 H new ATOM 0 HG1 THR A 92 -12.589 -4.057 -0.725 1.00 71.01 H new ATOM 0 HG21 THR A 92 -14.462 -1.915 -2.599 1.00 54.14 H new ATOM 0 HG22 THR A 92 -13.949 -0.376 -1.867 1.00 54.14 H new ATOM 0 HG23 THR A 92 -12.867 -1.232 -2.991 1.00 54.14 H new ATOM 1436 N GLN A 93 -12.845 0.150 1.212 1.00 62.22 N ATOM 1437 CA GLN A 93 -13.249 1.467 1.741 1.00 3.55 C ATOM 1438 C GLN A 93 -12.026 2.269 2.237 1.00 24.22 C ATOM 1439 O GLN A 93 -12.020 3.485 2.125 1.00 63.31 O ATOM 1440 CB GLN A 93 -14.319 1.352 2.862 1.00 74.14 C ATOM 1441 CG GLN A 93 -13.834 0.698 4.166 1.00 71.13 C ATOM 1442 CD GLN A 93 -14.859 0.651 5.298 1.00 12.31 C ATOM 1443 OE1 GLN A 93 -14.886 -0.302 6.078 1.00 55.12 O ATOM 1444 NE2 GLN A 93 -15.659 1.702 5.448 1.00 53.43 N ATOM 0 H GLN A 93 -13.137 -0.642 1.784 1.00 62.22 H new ATOM 0 HA GLN A 93 -13.706 2.009 0.913 1.00 3.55 H new ATOM 0 HB2 GLN A 93 -14.690 2.351 3.092 1.00 74.14 H new ATOM 0 HB3 GLN A 93 -15.163 0.779 2.479 1.00 74.14 H new ATOM 0 HG2 GLN A 93 -13.516 -0.321 3.945 1.00 71.13 H new ATOM 0 HG3 GLN A 93 -12.955 1.237 4.518 1.00 71.13 H new ATOM 0 HE21 GLN A 93 -15.613 2.476 4.786 1.00 53.43 H new ATOM 0 HE22 GLN A 93 -16.318 1.734 6.226 1.00 53.43 H new ATOM 1453 N ARG A 94 -10.975 1.580 2.747 1.00 5.13 N ATOM 1454 CA ARG A 94 -9.767 2.253 3.272 1.00 2.42 C ATOM 1455 C ARG A 94 -8.966 2.907 2.140 1.00 3.31 C ATOM 1456 O ARG A 94 -8.296 3.910 2.379 1.00 63.32 O ATOM 1457 CB ARG A 94 -8.848 1.285 4.067 1.00 14.30 C ATOM 1458 CG ARG A 94 -9.464 0.687 5.350 1.00 21.32 C ATOM 1459 CD ARG A 94 -9.855 1.728 6.411 1.00 51.22 C ATOM 1460 NE ARG A 94 -10.489 1.076 7.575 1.00 63.41 N ATOM 1461 CZ ARG A 94 -11.571 1.522 8.235 1.00 73.31 C ATOM 1462 NH1 ARG A 94 -12.179 2.655 7.885 1.00 33.24 N ATOM 1463 NH2 ARG A 94 -12.073 0.797 9.226 1.00 22.40 N ATOM 0 H ARG A 94 -10.942 0.562 2.805 1.00 5.13 H new ATOM 0 HA ARG A 94 -10.118 3.023 3.959 1.00 2.42 H new ATOM 0 HB2 ARG A 94 -8.557 0.466 3.409 1.00 14.30 H new ATOM 0 HB3 ARG A 94 -7.936 1.817 4.337 1.00 14.30 H new ATOM 0 HG2 ARG A 94 -10.349 0.112 5.079 1.00 21.32 H new ATOM 0 HG3 ARG A 94 -8.752 -0.012 5.789 1.00 21.32 H new ATOM 0 HD2 ARG A 94 -8.970 2.276 6.733 1.00 51.22 H new ATOM 0 HD3 ARG A 94 -10.541 2.456 5.978 1.00 51.22 H new ATOM 0 HE ARG A 94 -10.067 0.209 7.908 1.00 63.41 H new ATOM 0 HH11 ARG A 94 -11.824 3.203 7.101 1.00 33.24 H new ATOM 0 HH12 ARG A 94 -12.999 2.974 8.401 1.00 33.24 H new ATOM 0 HH21 ARG A 94 -11.638 -0.090 9.480 1.00 22.40 H new ATOM 0 HH22 ARG A 94 -12.894 1.126 9.734 1.00 22.40 H new ATOM 1477 N VAL A 95 -9.031 2.322 0.918 1.00 0.15 N ATOM 1478 CA VAL A 95 -8.395 2.912 -0.276 1.00 54.42 C ATOM 1479 C VAL A 95 -9.008 4.299 -0.558 1.00 44.35 C ATOM 1480 O VAL A 95 -8.284 5.282 -0.591 1.00 12.31 O ATOM 1481 CB VAL A 95 -8.515 1.989 -1.557 1.00 4.34 C ATOM 1482 CG1 VAL A 95 -7.948 2.683 -2.830 1.00 22.14 C ATOM 1483 CG2 VAL A 95 -7.824 0.622 -1.329 1.00 64.42 C ATOM 0 H VAL A 95 -9.518 1.444 0.739 1.00 0.15 H new ATOM 0 HA VAL A 95 -7.331 3.010 -0.061 1.00 54.42 H new ATOM 0 HB VAL A 95 -9.578 1.814 -1.723 1.00 4.34 H new ATOM 0 HG11 VAL A 95 -8.050 2.015 -3.685 1.00 22.14 H new ATOM 0 HG12 VAL A 95 -8.501 3.603 -3.020 1.00 22.14 H new ATOM 0 HG13 VAL A 95 -6.895 2.918 -2.678 1.00 22.14 H new ATOM 0 HG21 VAL A 95 -7.923 0.010 -2.226 1.00 64.42 H new ATOM 0 HG22 VAL A 95 -6.767 0.780 -1.112 1.00 64.42 H new ATOM 0 HG23 VAL A 95 -8.294 0.112 -0.488 1.00 64.42 H new ATOM 1493 N ARG A 96 -10.354 4.367 -0.680 1.00 1.11 N ATOM 1494 CA ARG A 96 -11.061 5.626 -1.033 1.00 64.33 C ATOM 1495 C ARG A 96 -11.019 6.669 0.108 1.00 55.12 C ATOM 1496 O ARG A 96 -10.922 7.873 -0.157 1.00 2.21 O ATOM 1497 CB ARG A 96 -12.525 5.348 -1.467 1.00 24.43 C ATOM 1498 CG ARG A 96 -13.425 4.715 -0.388 1.00 4.33 C ATOM 1499 CD ARG A 96 -14.858 4.457 -0.877 1.00 42.13 C ATOM 1500 NE ARG A 96 -14.884 3.633 -2.102 1.00 21.12 N ATOM 1501 CZ ARG A 96 -15.849 2.770 -2.453 1.00 32.14 C ATOM 1502 NH1 ARG A 96 -16.922 2.576 -1.685 1.00 61.43 N ATOM 1503 NH2 ARG A 96 -15.739 2.119 -3.601 1.00 61.33 N ATOM 0 H ARG A 96 -10.973 3.569 -0.540 1.00 1.11 H new ATOM 0 HA ARG A 96 -10.525 6.054 -1.880 1.00 64.33 H new ATOM 0 HB2 ARG A 96 -12.976 6.287 -1.787 1.00 24.43 H new ATOM 0 HB3 ARG A 96 -12.510 4.690 -2.336 1.00 24.43 H new ATOM 0 HG2 ARG A 96 -12.984 3.774 -0.061 1.00 4.33 H new ATOM 0 HG3 ARG A 96 -13.456 5.371 0.482 1.00 4.33 H new ATOM 0 HD2 ARG A 96 -15.425 3.957 -0.092 1.00 42.13 H new ATOM 0 HD3 ARG A 96 -15.352 5.409 -1.070 1.00 42.13 H new ATOM 0 HE ARG A 96 -14.095 3.729 -2.741 1.00 21.12 H new ATOM 0 HH11 ARG A 96 -17.022 3.089 -0.809 1.00 61.43 H new ATOM 0 HH12 ARG A 96 -17.643 1.914 -1.973 1.00 61.43 H new ATOM 0 HH21 ARG A 96 -14.930 2.278 -4.202 1.00 61.33 H new ATOM 0 HH22 ARG A 96 -16.463 1.459 -3.884 1.00 61.33 H new ATOM 1517 N GLU A 97 -11.067 6.199 1.372 1.00 34.52 N ATOM 1518 CA GLU A 97 -10.955 7.076 2.564 1.00 33.35 C ATOM 1519 C GLU A 97 -9.543 7.670 2.653 1.00 24.51 C ATOM 1520 O GLU A 97 -9.356 8.828 3.083 1.00 13.11 O ATOM 1521 CB GLU A 97 -11.306 6.289 3.854 1.00 52.42 C ATOM 1522 CG GLU A 97 -12.782 5.843 3.947 1.00 23.33 C ATOM 1523 CD GLU A 97 -13.770 7.021 4.041 1.00 62.42 C ATOM 1524 OE1 GLU A 97 -14.051 7.472 5.172 1.00 74.11 O ATOM 1525 OE2 GLU A 97 -14.275 7.488 2.993 1.00 55.33 O ATOM 0 H GLU A 97 -11.183 5.211 1.598 1.00 34.52 H new ATOM 0 HA GLU A 97 -11.667 7.895 2.465 1.00 33.35 H new ATOM 0 HB2 GLU A 97 -10.668 5.407 3.912 1.00 52.42 H new ATOM 0 HB3 GLU A 97 -11.071 6.909 4.719 1.00 52.42 H new ATOM 0 HG2 GLU A 97 -13.028 5.241 3.073 1.00 23.33 H new ATOM 0 HG3 GLU A 97 -12.907 5.203 4.820 1.00 23.33 H new ATOM 1532 N PHE A 98 -8.553 6.868 2.214 1.00 34.25 N ATOM 1533 CA PHE A 98 -7.173 7.327 2.073 1.00 25.13 C ATOM 1534 C PHE A 98 -7.087 8.371 0.953 1.00 15.10 C ATOM 1535 O PHE A 98 -6.477 9.410 1.139 1.00 35.05 O ATOM 1536 CB PHE A 98 -6.192 6.162 1.787 1.00 2.13 C ATOM 1537 CG PHE A 98 -4.760 6.642 1.563 1.00 22.12 C ATOM 1538 CD1 PHE A 98 -3.972 7.036 2.643 1.00 20.13 C ATOM 1539 CD2 PHE A 98 -4.220 6.751 0.274 1.00 33.33 C ATOM 1540 CE1 PHE A 98 -2.704 7.522 2.441 1.00 0.20 C ATOM 1541 CE2 PHE A 98 -2.947 7.232 0.081 1.00 43.20 C ATOM 1542 CZ PHE A 98 -2.193 7.619 1.162 1.00 74.05 C ATOM 0 H PHE A 98 -8.694 5.893 1.951 1.00 34.25 H new ATOM 0 HA PHE A 98 -6.877 7.774 3.022 1.00 25.13 H new ATOM 0 HB2 PHE A 98 -6.210 5.463 2.623 1.00 2.13 H new ATOM 0 HB3 PHE A 98 -6.530 5.615 0.907 1.00 2.13 H new ATOM 0 HD1 PHE A 98 -4.362 6.958 3.647 1.00 20.13 H new ATOM 0 HD2 PHE A 98 -4.812 6.453 -0.579 1.00 33.33 H new ATOM 0 HE1 PHE A 98 -2.104 7.829 3.285 1.00 0.20 H new ATOM 0 HE2 PHE A 98 -2.541 7.305 -0.917 1.00 43.20 H new ATOM 0 HZ PHE A 98 -1.194 8.001 1.011 1.00 74.05 H new ATOM 1552 N LEU A 99 -7.722 8.081 -0.204 1.00 1.43 N ATOM 1553 CA LEU A 99 -7.717 8.979 -1.379 1.00 52.21 C ATOM 1554 C LEU A 99 -8.384 10.323 -1.041 1.00 62.21 C ATOM 1555 O LEU A 99 -8.111 11.333 -1.698 1.00 23.23 O ATOM 1556 CB LEU A 99 -8.425 8.308 -2.596 1.00 63.10 C ATOM 1557 CG LEU A 99 -7.779 6.986 -3.133 1.00 44.12 C ATOM 1558 CD1 LEU A 99 -8.624 6.365 -4.271 1.00 42.45 C ATOM 1559 CD2 LEU A 99 -6.305 7.199 -3.555 1.00 35.13 C ATOM 0 H LEU A 99 -8.251 7.221 -0.349 1.00 1.43 H new ATOM 0 HA LEU A 99 -6.679 9.170 -1.652 1.00 52.21 H new ATOM 0 HB2 LEU A 99 -9.457 8.096 -2.317 1.00 63.10 H new ATOM 0 HB3 LEU A 99 -8.458 9.029 -3.413 1.00 63.10 H new ATOM 0 HG LEU A 99 -7.771 6.269 -2.312 1.00 44.12 H new ATOM 0 HD11 LEU A 99 -8.147 5.449 -4.620 1.00 42.45 H new ATOM 0 HD12 LEU A 99 -9.622 6.135 -3.899 1.00 42.45 H new ATOM 0 HD13 LEU A 99 -8.699 7.073 -5.097 1.00 42.45 H new ATOM 0 HD21 LEU A 99 -5.892 6.259 -3.922 1.00 35.13 H new ATOM 0 HD22 LEU A 99 -6.257 7.949 -4.345 1.00 35.13 H new ATOM 0 HD23 LEU A 99 -5.726 7.539 -2.696 1.00 35.13 H new ATOM 1571 N LYS A 100 -9.259 10.318 -0.006 1.00 32.24 N ATOM 1572 CA LYS A 100 -9.860 11.543 0.529 1.00 61.44 C ATOM 1573 C LYS A 100 -8.810 12.350 1.330 1.00 64.31 C ATOM 1574 O LYS A 100 -8.499 13.463 0.933 1.00 72.12 O ATOM 1575 CB LYS A 100 -11.117 11.214 1.386 1.00 55.40 C ATOM 1576 CG LYS A 100 -11.792 12.440 2.063 1.00 34.55 C ATOM 1577 CD LYS A 100 -12.215 13.586 1.091 1.00 40.22 C ATOM 1578 CE LYS A 100 -13.407 13.249 0.157 1.00 2.20 C ATOM 1579 NZ LYS A 100 -13.025 12.387 -0.995 1.00 64.42 N ATOM 0 H LYS A 100 -9.560 9.468 0.471 1.00 32.24 H new ATOM 0 HA LYS A 100 -10.192 12.165 -0.302 1.00 61.44 H new ATOM 0 HB2 LYS A 100 -11.852 10.719 0.751 1.00 55.40 H new ATOM 0 HB3 LYS A 100 -10.833 10.501 2.160 1.00 55.40 H new ATOM 0 HG2 LYS A 100 -12.676 12.097 2.601 1.00 34.55 H new ATOM 0 HG3 LYS A 100 -11.106 12.849 2.805 1.00 34.55 H new ATOM 0 HD2 LYS A 100 -12.473 14.465 1.681 1.00 40.22 H new ATOM 0 HD3 LYS A 100 -11.356 13.855 0.476 1.00 40.22 H new ATOM 0 HE2 LYS A 100 -14.183 12.748 0.736 1.00 2.20 H new ATOM 0 HE3 LYS A 100 -13.839 14.176 -0.219 1.00 2.20 H new ATOM 0 HZ1 LYS A 100 -13.621 12.620 -1.815 1.00 64.42 H new ATOM 0 HZ2 LYS A 100 -12.026 12.550 -1.235 1.00 64.42 H new ATOM 0 HZ3 LYS A 100 -13.161 11.388 -0.741 1.00 64.42 H new ATOM 1593 N THR A 101 -8.201 11.756 2.391 1.00 53.44 N ATOM 1594 CA THR A 101 -7.231 12.494 3.265 1.00 14.31 C ATOM 1595 C THR A 101 -5.961 12.911 2.476 1.00 2.22 C ATOM 1596 O THR A 101 -5.373 13.970 2.717 1.00 42.31 O ATOM 1597 CB THR A 101 -6.824 11.676 4.550 1.00 62.04 C ATOM 1598 OG1 THR A 101 -5.916 12.442 5.363 1.00 23.30 O ATOM 1599 CG2 THR A 101 -6.174 10.323 4.213 1.00 42.22 C ATOM 0 H THR A 101 -8.356 10.786 2.664 1.00 53.44 H new ATOM 0 HA THR A 101 -7.751 13.392 3.599 1.00 14.31 H new ATOM 0 HB THR A 101 -7.747 11.477 5.095 1.00 62.04 H new ATOM 0 HG1 THR A 101 -5.672 11.924 6.158 1.00 23.30 H new ATOM 0 HG21 THR A 101 -5.915 9.804 5.136 1.00 42.22 H new ATOM 0 HG22 THR A 101 -6.874 9.716 3.640 1.00 42.22 H new ATOM 0 HG23 THR A 101 -5.272 10.489 3.625 1.00 42.22 H new ATOM 1607 N ALA A 102 -5.583 12.070 1.510 1.00 42.32 N ATOM 1608 CA ALA A 102 -4.398 12.262 0.658 1.00 73.44 C ATOM 1609 C ALA A 102 -4.704 13.233 -0.496 1.00 54.55 C ATOM 1610 O ALA A 102 -3.808 13.929 -0.992 1.00 14.11 O ATOM 1611 CB ALA A 102 -3.938 10.901 0.128 1.00 33.12 C ATOM 0 H ALA A 102 -6.100 11.218 1.291 1.00 42.32 H new ATOM 0 HA ALA A 102 -3.596 12.705 1.248 1.00 73.44 H new ATOM 0 HB1 ALA A 102 -3.060 11.035 -0.504 1.00 33.12 H new ATOM 0 HB2 ALA A 102 -3.686 10.251 0.966 1.00 33.12 H new ATOM 0 HB3 ALA A 102 -4.740 10.448 -0.455 1.00 33.12 H new ATOM 1617 N GLY A 103 -5.984 13.258 -0.913 1.00 35.12 N ATOM 1618 CA GLY A 103 -6.472 14.173 -1.951 1.00 42.25 C ATOM 1619 C GLY A 103 -7.066 15.453 -1.378 1.00 53.40 C ATOM 1620 O GLY A 103 -7.696 16.225 -2.104 1.00 22.30 O ATOM 0 H GLY A 103 -6.705 12.643 -0.537 1.00 35.12 H new ATOM 0 HA2 GLY A 103 -5.650 14.427 -2.620 1.00 42.25 H new ATOM 0 HA3 GLY A 103 -7.227 13.665 -2.551 1.00 42.25 H new ATOM 1624 N SER A 104 -6.872 15.675 -0.065 1.00 34.53 N ATOM 1625 CA SER A 104 -7.334 16.887 0.641 1.00 31.05 C ATOM 1626 C SER A 104 -6.151 17.645 1.269 1.00 61.12 C ATOM 1627 O SER A 104 -5.002 17.184 1.226 1.00 65.20 O ATOM 1628 CB SER A 104 -8.370 16.509 1.730 1.00 41.33 C ATOM 1629 OG SER A 104 -9.556 15.980 1.157 1.00 11.30 O ATOM 0 H SER A 104 -6.387 15.014 0.541 1.00 34.53 H new ATOM 0 HA SER A 104 -7.809 17.545 -0.087 1.00 31.05 H new ATOM 0 HB2 SER A 104 -7.935 15.776 2.410 1.00 41.33 H new ATOM 0 HB3 SER A 104 -8.613 17.390 2.324 1.00 41.33 H new ATOM 0 HG SER A 104 -9.431 15.027 0.968 1.00 11.30 H new ATOM 1635 N LEU A 105 -6.471 18.823 1.839 1.00 25.34 N ATOM 1636 CA LEU A 105 -5.535 19.652 2.624 1.00 23.51 C ATOM 1637 C LEU A 105 -5.115 18.897 3.912 1.00 25.02 C ATOM 1638 O LEU A 105 -4.060 19.181 4.488 1.00 42.43 O ATOM 1639 CB LEU A 105 -6.241 21.027 2.931 1.00 41.32 C ATOM 1640 CG LEU A 105 -5.379 22.240 3.461 1.00 2.12 C ATOM 1641 CD1 LEU A 105 -5.055 22.153 4.975 1.00 21.52 C ATOM 1642 CD2 LEU A 105 -4.101 22.420 2.609 1.00 70.42 C ATOM 0 H LEU A 105 -7.402 19.232 1.766 1.00 25.34 H new ATOM 0 HA LEU A 105 -4.619 19.850 2.067 1.00 23.51 H new ATOM 0 HB2 LEU A 105 -6.735 21.352 2.016 1.00 41.32 H new ATOM 0 HB3 LEU A 105 -7.023 20.836 3.665 1.00 41.32 H new ATOM 0 HG LEU A 105 -5.996 23.131 3.348 1.00 2.12 H new ATOM 0 HD11 LEU A 105 -4.461 23.018 5.270 1.00 21.52 H new ATOM 0 HD12 LEU A 105 -5.984 22.139 5.546 1.00 21.52 H new ATOM 0 HD13 LEU A 105 -4.492 21.241 5.175 1.00 21.52 H new ATOM 0 HD21 LEU A 105 -3.523 23.261 2.993 1.00 70.42 H new ATOM 0 HD22 LEU A 105 -3.499 21.513 2.660 1.00 70.42 H new ATOM 0 HD23 LEU A 105 -4.379 22.613 1.573 1.00 70.42 H new ATOM 1654 N GLU A 106 -5.958 17.915 4.310 1.00 50.15 N ATOM 1655 CA GLU A 106 -5.778 17.072 5.502 1.00 54.54 C ATOM 1656 C GLU A 106 -4.421 16.344 5.511 1.00 12.22 C ATOM 1657 O GLU A 106 -4.300 15.233 5.013 1.00 0.34 O ATOM 1658 CB GLU A 106 -6.946 16.047 5.604 1.00 23.32 C ATOM 1659 CG GLU A 106 -8.339 16.693 5.708 1.00 1.44 C ATOM 1660 CD GLU A 106 -8.470 17.613 6.936 1.00 20.14 C ATOM 1661 OE1 GLU A 106 -8.680 17.092 8.050 1.00 63.41 O ATOM 1662 OE2 GLU A 106 -8.372 18.851 6.788 1.00 14.32 O ATOM 0 H GLU A 106 -6.805 17.686 3.791 1.00 50.15 H new ATOM 0 HA GLU A 106 -5.788 17.729 6.372 1.00 54.54 H new ATOM 0 HB2 GLU A 106 -6.923 15.397 4.729 1.00 23.32 H new ATOM 0 HB3 GLU A 106 -6.785 15.414 6.476 1.00 23.32 H new ATOM 0 HG2 GLU A 106 -8.538 17.268 4.804 1.00 1.44 H new ATOM 0 HG3 GLU A 106 -9.096 15.911 5.761 1.00 1.44 H new ATOM 1669 N HIS A 107 -3.405 17.023 6.041 1.00 31.51 N ATOM 1670 CA HIS A 107 -2.074 16.442 6.301 1.00 21.04 C ATOM 1671 C HIS A 107 -2.042 15.870 7.728 1.00 70.23 C ATOM 1672 O HIS A 107 -1.366 14.876 8.007 1.00 14.50 O ATOM 1673 CB HIS A 107 -0.978 17.520 6.093 1.00 1.30 C ATOM 1674 CG HIS A 107 -1.181 18.777 6.908 1.00 71.44 C ATOM 1675 ND1 HIS A 107 -1.973 19.822 6.487 1.00 53.32 N ATOM 1676 CD2 HIS A 107 -0.715 19.139 8.126 1.00 24.01 C ATOM 1677 CE1 HIS A 107 -1.983 20.762 7.405 1.00 55.44 C ATOM 1678 NE2 HIS A 107 -1.230 20.374 8.408 1.00 24.34 N ATOM 0 H HIS A 107 -3.476 18.005 6.308 1.00 31.51 H new ATOM 0 HA HIS A 107 -1.876 15.630 5.601 1.00 21.04 H new ATOM 0 HB2 HIS A 107 -0.009 17.090 6.345 1.00 1.30 H new ATOM 0 HB3 HIS A 107 -0.943 17.787 5.037 1.00 1.30 H new ATOM 0 HD1 HIS A 107 -2.474 19.860 5.600 1.00 53.32 H new ATOM 0 HD2 HIS A 107 -0.058 18.560 8.758 1.00 24.01 H new ATOM 0 HE1 HIS A 107 -2.520 21.697 7.345 1.00 55.44 H new ATOM 1687 N HIS A 108 -2.804 16.535 8.611 1.00 31.21 N ATOM 1688 CA HIS A 108 -2.999 16.149 10.007 1.00 24.15 C ATOM 1689 C HIS A 108 -4.404 16.617 10.404 1.00 72.24 C ATOM 1690 O HIS A 108 -4.615 17.818 10.629 1.00 2.43 O ATOM 1691 CB HIS A 108 -1.904 16.776 10.907 1.00 64.10 C ATOM 1692 CG HIS A 108 -2.008 16.419 12.369 1.00 61.13 C ATOM 1693 ND1 HIS A 108 -1.442 15.281 12.901 1.00 44.34 N ATOM 1694 CD2 HIS A 108 -2.577 17.073 13.415 1.00 4.01 C ATOM 1695 CE1 HIS A 108 -1.654 15.251 14.199 1.00 33.32 C ATOM 1696 NE2 HIS A 108 -2.339 16.323 14.535 1.00 44.12 N ATOM 0 H HIS A 108 -3.315 17.381 8.360 1.00 31.21 H new ATOM 0 HA HIS A 108 -2.914 15.070 10.135 1.00 24.15 H new ATOM 0 HB2 HIS A 108 -0.927 16.462 10.539 1.00 64.10 H new ATOM 0 HB3 HIS A 108 -1.949 17.861 10.808 1.00 64.10 H new ATOM 0 HD2 HIS A 108 -3.115 18.008 13.371 1.00 4.01 H new ATOM 0 HE1 HIS A 108 -1.322 14.477 14.875 1.00 33.32 H new ATOM 0 HE2 HIS A 108 -2.644 16.558 15.480 1.00 44.12 H new ATOM 1705 N HIS A 109 -5.360 15.671 10.418 1.00 31.21 N ATOM 1706 CA HIS A 109 -6.787 15.951 10.702 1.00 24.33 C ATOM 1707 C HIS A 109 -6.975 16.675 12.058 1.00 13.44 C ATOM 1708 O HIS A 109 -6.482 16.209 13.090 1.00 34.24 O ATOM 1709 CB HIS A 109 -7.636 14.650 10.625 1.00 15.24 C ATOM 1710 CG HIS A 109 -7.143 13.521 11.494 1.00 21.22 C ATOM 1711 ND1 HIS A 109 -7.566 13.311 12.788 1.00 1.33 N ATOM 1712 CD2 HIS A 109 -6.279 12.515 11.228 1.00 14.23 C ATOM 1713 CE1 HIS A 109 -6.976 12.239 13.273 1.00 14.10 C ATOM 1714 NE2 HIS A 109 -6.194 11.741 12.347 1.00 71.45 N ATOM 0 H HIS A 109 -5.168 14.686 10.233 1.00 31.21 H new ATOM 0 HA HIS A 109 -7.147 16.630 9.929 1.00 24.33 H new ATOM 0 HB2 HIS A 109 -8.662 14.885 10.907 1.00 15.24 H new ATOM 0 HB3 HIS A 109 -7.660 14.309 9.590 1.00 15.24 H new ATOM 0 HD2 HIS A 109 -5.753 12.354 10.299 1.00 14.23 H new ATOM 0 HE1 HIS A 109 -7.113 11.838 14.266 1.00 14.10 H new ATOM 0 HE2 HIS A 109 -5.614 10.908 12.447 1.00 71.45 H new ATOM 1723 N HIS A 110 -7.692 17.820 11.993 1.00 11.53 N ATOM 1724 CA HIS A 110 -7.879 18.813 13.077 1.00 40.12 C ATOM 1725 C HIS A 110 -6.547 19.210 13.762 1.00 71.20 C ATOM 1726 O HIS A 110 -6.053 18.515 14.656 1.00 41.03 O ATOM 1727 CB HIS A 110 -9.012 18.421 14.099 1.00 43.04 C ATOM 1728 CG HIS A 110 -8.732 17.319 15.106 1.00 54.23 C ATOM 1729 ND1 HIS A 110 -8.273 17.575 16.385 1.00 51.41 N ATOM 1730 CD2 HIS A 110 -8.923 15.974 15.057 1.00 61.22 C ATOM 1731 CE1 HIS A 110 -8.191 16.452 17.062 1.00 13.51 C ATOM 1732 NE2 HIS A 110 -8.580 15.465 16.283 1.00 22.14 N ATOM 0 H HIS A 110 -8.181 18.091 11.140 1.00 11.53 H new ATOM 0 HA HIS A 110 -8.242 19.716 12.587 1.00 40.12 H new ATOM 0 HB2 HIS A 110 -9.280 19.319 14.656 1.00 43.04 H new ATOM 0 HB3 HIS A 110 -9.890 18.129 13.524 1.00 43.04 H new ATOM 0 HD2 HIS A 110 -9.280 15.410 14.208 1.00 61.22 H new ATOM 0 HE1 HIS A 110 -7.860 16.355 18.085 1.00 13.51 H new ATOM 0 HE2 HIS A 110 -8.620 14.481 16.548 1.00 22.14 H new ATOM 1741 N HIS A 111 -5.945 20.326 13.291 1.00 70.34 N ATOM 1742 CA HIS A 111 -4.724 20.900 13.902 1.00 12.23 C ATOM 1743 C HIS A 111 -4.998 21.262 15.373 1.00 31.13 C ATOM 1744 O HIS A 111 -4.177 20.986 16.254 1.00 72.11 O ATOM 1745 CB HIS A 111 -4.229 22.139 13.111 1.00 10.10 C ATOM 1746 CG HIS A 111 -3.046 22.832 13.750 1.00 0.02 C ATOM 1747 ND1 HIS A 111 -3.130 24.061 14.368 1.00 43.44 N ATOM 1748 CD2 HIS A 111 -1.752 22.449 13.880 1.00 3.43 C ATOM 1749 CE1 HIS A 111 -1.953 24.391 14.848 1.00 74.32 C ATOM 1750 NE2 HIS A 111 -1.100 23.434 14.568 1.00 2.22 N ATOM 0 H HIS A 111 -6.287 20.849 12.485 1.00 70.34 H new ATOM 0 HA HIS A 111 -3.933 20.151 13.864 1.00 12.23 H new ATOM 0 HB2 HIS A 111 -3.957 21.830 12.102 1.00 10.10 H new ATOM 0 HB3 HIS A 111 -5.049 22.851 13.017 1.00 10.10 H new ATOM 0 HD2 HIS A 111 -1.316 21.533 13.508 1.00 3.43 H new ATOM 0 HE1 HIS A 111 -1.725 25.300 15.385 1.00 74.32 H new ATOM 0 HE2 HIS A 111 -0.112 23.426 14.822 1.00 2.22 H new ATOM 1759 N HIS A 112 -6.155 21.897 15.614 1.00 12.35 N ATOM 1760 CA HIS A 112 -6.699 22.070 16.965 1.00 24.20 C ATOM 1761 C HIS A 112 -7.473 20.780 17.336 1.00 23.52 C ATOM 1762 O HIS A 112 -8.628 20.609 16.886 1.00 65.41 O ATOM 1763 CB HIS A 112 -7.600 23.333 17.056 1.00 24.20 C ATOM 1764 CG HIS A 112 -8.185 23.551 18.430 1.00 52.52 C ATOM 1765 ND1 HIS A 112 -7.415 23.903 19.517 1.00 31.14 N ATOM 1766 CD2 HIS A 112 -9.452 23.426 18.901 1.00 13.11 C ATOM 1767 CE1 HIS A 112 -8.176 23.980 20.586 1.00 21.51 C ATOM 1768 NE2 HIS A 112 -9.414 23.698 20.243 1.00 73.10 N ATOM 1769 OXT HIS A 112 -6.901 19.916 18.022 1.00 37.58 O ATOM 0 H HIS A 112 -6.736 22.302 14.880 1.00 12.35 H new ATOM 0 HA HIS A 112 -5.889 22.228 17.677 1.00 24.20 H new ATOM 0 HB2 HIS A 112 -7.015 24.209 16.774 1.00 24.20 H new ATOM 0 HB3 HIS A 112 -8.411 23.245 16.333 1.00 24.20 H new ATOM 0 HD2 HIS A 112 -10.327 23.162 18.325 1.00 13.11 H new ATOM 0 HE1 HIS A 112 -7.840 24.233 21.581 1.00 21.51 H new ATOM 0 HE2 HIS A 112 -10.215 23.684 20.874 1.00 73.10 H new TER 1778 HIS A 112