USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=31 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 107 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Set 1.2: A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.317 K(o=0.44,f=-0.44) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.125 K(o=0.44,f=-1.4!) USER MOD Set 3.1: A 50 ASN : amide:sc= -3.15! C(o=-2.4!,f=-7.5!) USER MOD Set 3.2: A 52 LYS NZ :NH3+ 149:sc= 0.699 (180deg=0.0192) USER MOD Set 4.1: A 36 SER OG : rot 180:sc= -0.177 USER MOD Set 4.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 19 GLN : amide:sc= -0.149 X(o=0.52,f=0.22) USER MOD Set 5.2: A 33 THR OG1 : rot -92:sc= 0.671 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -171:sc= 0.78 (180deg=0) USER MOD Set 6.2: A 101 THR OG1 : rot 49:sc= 0.704 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.17 (180deg=-0.618) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0996 (180deg=-0.0762) USER MOD Single : A 9 SER OG : rot 180:sc= -0.657 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc=0.000668 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 SER OG : rot -59:sc= 0.28 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= -0.0124 (180deg=-0.153) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 26 TYR OH : rot 180:sc= 0.259 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.072) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc=-0.00662 (180deg=-0.0842) USER MOD Single : A 46 SER OG : rot 75:sc= 0.802 USER MOD Single : A 47 MET CE :methyl -162:sc= -0.199 (180deg=-1.29) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.46 (180deg=0.439) USER MOD Single : A 59 ASN : amide:sc= -0.0883 X(o=-0.088,f=0) USER MOD Single : A 62 SER OG : rot -5:sc= 0.309 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.45 F(o=-1.3,f=-0.45) USER MOD Single : A 71 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.44) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0.507) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -96:sc= 0.00345 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= -0.0271 (180deg=-0.171) USER MOD Single : A 85 SER OG : rot -109:sc= 0.129 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 77:sc= 0.677 USER MOD Single : A 93 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.4!) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.0275 (180deg=-0.221) USER MOD Single : A 104 SER OG : rot -102:sc= 0.186 USER MOD Single : A 108 HIS : no HD1:sc= 0.0812 K(o=0.081,f=-1.1) USER MOD Single : A 110 HIS : no HD1:sc= -0.0786 K(o=-0.079,f=-0.61) USER MOD Single : A 111 HIS : no HD1:sc= -0.395 K(o=-0.4,f=-1.3) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.578 16.504 1.152 1.00 54.11 N ATOM 2 CA MET A 1 2.655 15.558 0.475 1.00 12.10 C ATOM 3 C MET A 1 3.372 14.214 0.262 1.00 3.25 C ATOM 4 O MET A 1 4.350 13.918 0.966 1.00 11.13 O ATOM 5 CB MET A 1 2.150 16.168 -0.862 1.00 62.22 C ATOM 6 CG MET A 1 1.293 17.434 -0.703 1.00 51.23 C ATOM 7 SD MET A 1 0.734 18.105 -2.285 1.00 43.34 S ATOM 8 CE MET A 1 2.293 18.470 -3.095 1.00 51.50 C ATOM 0 H1 MET A 1 3.060 17.030 1.885 1.00 54.11 H new ATOM 0 H2 MET A 1 4.357 15.974 1.592 1.00 54.11 H new ATOM 0 H3 MET A 1 3.964 17.172 0.454 1.00 54.11 H new ATOM 0 HA MET A 1 1.779 15.379 1.099 1.00 12.10 H new ATOM 0 HB2 MET A 1 3.011 16.404 -1.487 1.00 62.22 H new ATOM 0 HB3 MET A 1 1.568 15.415 -1.393 1.00 62.22 H new ATOM 0 HG2 MET A 1 0.426 17.205 -0.084 1.00 51.23 H new ATOM 0 HG3 MET A 1 1.870 18.193 -0.175 1.00 51.23 H new ATOM 0 HE1 MET A 1 2.122 19.165 -3.917 1.00 51.50 H new ATOM 0 HE2 MET A 1 2.980 18.918 -2.377 1.00 51.50 H new ATOM 0 HE3 MET A 1 2.726 17.548 -3.484 1.00 51.50 H new ATOM 20 N GLY A 2 2.883 13.388 -0.691 1.00 74.01 N ATOM 21 CA GLY A 2 3.428 12.050 -0.902 1.00 43.21 C ATOM 22 C GLY A 2 2.987 11.119 0.209 1.00 3.20 C ATOM 23 O GLY A 2 3.813 10.534 0.923 1.00 4.44 O ATOM 0 H GLY A 2 2.116 13.633 -1.317 1.00 74.01 H new ATOM 0 HA2 GLY A 2 3.094 11.662 -1.864 1.00 43.21 H new ATOM 0 HA3 GLY A 2 4.517 12.095 -0.937 1.00 43.21 H new ATOM 27 N LYS A 3 1.663 11.041 0.382 1.00 34.22 N ATOM 28 CA LYS A 3 1.026 10.187 1.388 1.00 75.13 C ATOM 29 C LYS A 3 0.722 8.817 0.760 1.00 3.21 C ATOM 30 O LYS A 3 0.211 8.746 -0.357 1.00 71.55 O ATOM 31 CB LYS A 3 -0.261 10.881 1.919 1.00 63.05 C ATOM 32 CG LYS A 3 -0.953 10.144 3.089 1.00 43.25 C ATOM 33 CD LYS A 3 -2.098 10.975 3.726 1.00 3.14 C ATOM 34 CE LYS A 3 -2.834 10.216 4.845 1.00 13.41 C ATOM 35 NZ LYS A 3 -3.739 11.094 5.628 1.00 53.10 N ATOM 0 H LYS A 3 0.998 11.574 -0.178 1.00 34.22 H new ATOM 0 HA LYS A 3 1.691 10.032 2.237 1.00 75.13 H new ATOM 0 HB2 LYS A 3 -0.007 11.890 2.242 1.00 63.05 H new ATOM 0 HB3 LYS A 3 -0.971 10.979 1.098 1.00 63.05 H new ATOM 0 HG2 LYS A 3 -1.354 9.196 2.730 1.00 43.25 H new ATOM 0 HG3 LYS A 3 -0.212 9.908 3.853 1.00 43.25 H new ATOM 0 HD2 LYS A 3 -1.688 11.901 4.130 1.00 3.14 H new ATOM 0 HD3 LYS A 3 -2.813 11.254 2.952 1.00 3.14 H new ATOM 0 HE2 LYS A 3 -3.412 9.402 4.408 1.00 13.41 H new ATOM 0 HE3 LYS A 3 -2.102 9.764 5.515 1.00 13.41 H new ATOM 0 HZ1 LYS A 3 -4.092 10.577 6.458 1.00 53.10 H new ATOM 0 HZ2 LYS A 3 -3.218 11.938 5.942 1.00 53.10 H new ATOM 0 HZ3 LYS A 3 -4.542 11.384 5.033 1.00 53.10 H new ATOM 49 N VAL A 4 1.045 7.726 1.466 1.00 42.55 N ATOM 50 CA VAL A 4 0.939 6.366 0.903 1.00 4.43 C ATOM 51 C VAL A 4 0.246 5.411 1.887 1.00 23.30 C ATOM 52 O VAL A 4 0.395 5.546 3.094 1.00 43.53 O ATOM 53 CB VAL A 4 2.353 5.834 0.464 1.00 43.43 C ATOM 54 CG1 VAL A 4 3.278 5.549 1.650 1.00 71.02 C ATOM 55 CG2 VAL A 4 2.243 4.612 -0.461 1.00 65.11 C ATOM 0 H VAL A 4 1.382 7.754 2.428 1.00 42.55 H new ATOM 0 HA VAL A 4 0.315 6.412 0.011 1.00 4.43 H new ATOM 0 HB VAL A 4 2.813 6.643 -0.104 1.00 43.43 H new ATOM 0 HG11 VAL A 4 4.238 5.185 1.284 1.00 71.02 H new ATOM 0 HG12 VAL A 4 3.431 6.465 2.220 1.00 71.02 H new ATOM 0 HG13 VAL A 4 2.825 4.794 2.292 1.00 71.02 H new ATOM 0 HG21 VAL A 4 3.242 4.276 -0.741 1.00 65.11 H new ATOM 0 HG22 VAL A 4 1.722 3.808 0.059 1.00 65.11 H new ATOM 0 HG23 VAL A 4 1.687 4.884 -1.358 1.00 65.11 H new ATOM 65 N LEU A 5 -0.548 4.473 1.350 1.00 54.30 N ATOM 66 CA LEU A 5 -1.304 3.505 2.158 1.00 72.32 C ATOM 67 C LEU A 5 -0.664 2.115 2.041 1.00 74.45 C ATOM 68 O LEU A 5 -0.815 1.449 1.009 1.00 44.01 O ATOM 69 CB LEU A 5 -2.784 3.473 1.689 1.00 62.34 C ATOM 70 CG LEU A 5 -3.780 2.656 2.572 1.00 63.21 C ATOM 71 CD1 LEU A 5 -3.907 3.259 3.986 1.00 73.44 C ATOM 72 CD2 LEU A 5 -5.161 2.531 1.887 1.00 32.44 C ATOM 0 H LEU A 5 -0.684 4.364 0.345 1.00 54.30 H new ATOM 0 HA LEU A 5 -1.279 3.807 3.205 1.00 72.32 H new ATOM 0 HB2 LEU A 5 -3.145 4.500 1.630 1.00 62.34 H new ATOM 0 HB3 LEU A 5 -2.812 3.066 0.678 1.00 62.34 H new ATOM 0 HG LEU A 5 -3.373 1.651 2.682 1.00 63.21 H new ATOM 0 HD11 LEU A 5 -4.608 2.665 4.573 1.00 73.44 H new ATOM 0 HD12 LEU A 5 -2.932 3.255 4.472 1.00 73.44 H new ATOM 0 HD13 LEU A 5 -4.271 4.284 3.913 1.00 73.44 H new ATOM 0 HD21 LEU A 5 -5.833 1.957 2.525 1.00 32.44 H new ATOM 0 HD22 LEU A 5 -5.577 3.525 1.723 1.00 32.44 H new ATOM 0 HD23 LEU A 5 -5.048 2.022 0.930 1.00 32.44 H new ATOM 84 N LEU A 6 0.083 1.704 3.076 1.00 75.23 N ATOM 85 CA LEU A 6 0.670 0.358 3.157 1.00 42.24 C ATOM 86 C LEU A 6 -0.436 -0.661 3.521 1.00 34.23 C ATOM 87 O LEU A 6 -0.729 -0.885 4.698 1.00 50.52 O ATOM 88 CB LEU A 6 1.824 0.335 4.205 1.00 30.10 C ATOM 89 CG LEU A 6 2.589 -1.020 4.378 1.00 52.03 C ATOM 90 CD1 LEU A 6 3.268 -1.458 3.066 1.00 32.22 C ATOM 91 CD2 LEU A 6 3.607 -0.943 5.542 1.00 45.15 C ATOM 0 H LEU A 6 0.297 2.294 3.880 1.00 75.23 H new ATOM 0 HA LEU A 6 1.094 0.084 2.191 1.00 42.24 H new ATOM 0 HB2 LEU A 6 2.548 1.102 3.931 1.00 30.10 H new ATOM 0 HB3 LEU A 6 1.411 0.618 5.173 1.00 30.10 H new ATOM 0 HG LEU A 6 1.852 -1.782 4.632 1.00 52.03 H new ATOM 0 HD11 LEU A 6 3.789 -2.402 3.224 1.00 32.22 H new ATOM 0 HD12 LEU A 6 2.513 -1.586 2.290 1.00 32.22 H new ATOM 0 HD13 LEU A 6 3.983 -0.696 2.754 1.00 32.22 H new ATOM 0 HD21 LEU A 6 4.123 -1.898 5.638 1.00 45.15 H new ATOM 0 HD22 LEU A 6 4.334 -0.157 5.338 1.00 45.15 H new ATOM 0 HD23 LEU A 6 3.082 -0.719 6.471 1.00 45.15 H new ATOM 103 N VAL A 7 -1.063 -1.232 2.484 1.00 33.34 N ATOM 104 CA VAL A 7 -2.101 -2.266 2.619 1.00 22.22 C ATOM 105 C VAL A 7 -1.445 -3.640 2.810 1.00 63.24 C ATOM 106 O VAL A 7 -0.750 -4.137 1.912 1.00 53.24 O ATOM 107 CB VAL A 7 -3.047 -2.314 1.361 1.00 21.13 C ATOM 108 CG1 VAL A 7 -4.142 -3.398 1.509 1.00 5.33 C ATOM 109 CG2 VAL A 7 -3.665 -0.931 1.072 1.00 41.34 C ATOM 0 H VAL A 7 -0.862 -0.986 1.515 1.00 33.34 H new ATOM 0 HA VAL A 7 -2.706 -2.012 3.490 1.00 22.22 H new ATOM 0 HB VAL A 7 -2.432 -2.589 0.504 1.00 21.13 H new ATOM 0 HG11 VAL A 7 -4.774 -3.400 0.621 1.00 5.33 H new ATOM 0 HG12 VAL A 7 -3.673 -4.375 1.623 1.00 5.33 H new ATOM 0 HG13 VAL A 7 -4.751 -3.183 2.387 1.00 5.33 H new ATOM 0 HG21 VAL A 7 -4.313 -0.997 0.198 1.00 41.34 H new ATOM 0 HG22 VAL A 7 -4.249 -0.607 1.933 1.00 41.34 H new ATOM 0 HG23 VAL A 7 -2.870 -0.210 0.881 1.00 41.34 H new ATOM 119 N ILE A 8 -1.668 -4.238 3.985 1.00 71.23 N ATOM 120 CA ILE A 8 -1.132 -5.550 4.350 1.00 3.05 C ATOM 121 C ILE A 8 -2.299 -6.494 4.687 1.00 53.21 C ATOM 122 O ILE A 8 -3.215 -6.128 5.450 1.00 54.32 O ATOM 123 CB ILE A 8 -0.167 -5.472 5.597 1.00 51.22 C ATOM 124 CG1 ILE A 8 0.850 -4.296 5.456 1.00 4.12 C ATOM 125 CG2 ILE A 8 0.564 -6.829 5.816 1.00 73.13 C ATOM 126 CD1 ILE A 8 1.778 -4.120 6.640 1.00 2.40 C ATOM 0 H ILE A 8 -2.235 -3.816 4.720 1.00 71.23 H new ATOM 0 HA ILE A 8 -0.558 -5.921 3.501 1.00 3.05 H new ATOM 0 HB ILE A 8 -0.775 -5.272 6.479 1.00 51.22 H new ATOM 0 HG12 ILE A 8 1.451 -4.458 4.561 1.00 4.12 H new ATOM 0 HG13 ILE A 8 0.296 -3.370 5.305 1.00 4.12 H new ATOM 0 HG21 ILE A 8 1.223 -6.752 6.680 1.00 73.13 H new ATOM 0 HG22 ILE A 8 -0.171 -7.615 5.990 1.00 73.13 H new ATOM 0 HG23 ILE A 8 1.152 -7.072 4.931 1.00 73.13 H new ATOM 0 HD11 ILE A 8 2.449 -3.281 6.455 1.00 2.40 H new ATOM 0 HD12 ILE A 8 1.190 -3.924 7.537 1.00 2.40 H new ATOM 0 HD13 ILE A 8 2.363 -5.028 6.782 1.00 2.40 H new ATOM 138 N SER A 9 -2.249 -7.693 4.106 1.00 3.31 N ATOM 139 CA SER A 9 -3.160 -8.801 4.411 1.00 11.13 C ATOM 140 C SER A 9 -2.399 -10.116 4.206 1.00 14.43 C ATOM 141 O SER A 9 -1.397 -10.167 3.475 1.00 54.12 O ATOM 142 CB SER A 9 -4.422 -8.739 3.513 1.00 5.42 C ATOM 143 OG SER A 9 -5.259 -9.877 3.681 1.00 3.04 O ATOM 0 H SER A 9 -1.558 -7.928 3.393 1.00 3.31 H new ATOM 0 HA SER A 9 -3.500 -8.731 5.444 1.00 11.13 H new ATOM 0 HB2 SER A 9 -4.988 -7.837 3.746 1.00 5.42 H new ATOM 0 HB3 SER A 9 -4.119 -8.664 2.469 1.00 5.42 H new ATOM 0 HG SER A 9 -6.043 -9.796 3.098 1.00 3.04 H new ATOM 149 N THR A 10 -2.874 -11.173 4.869 1.00 64.31 N ATOM 150 CA THR A 10 -2.309 -12.521 4.756 1.00 54.42 C ATOM 151 C THR A 10 -2.852 -13.220 3.494 1.00 24.22 C ATOM 152 O THR A 10 -2.188 -14.070 2.896 1.00 65.01 O ATOM 153 CB THR A 10 -2.661 -13.353 6.028 1.00 63.33 C ATOM 154 OG1 THR A 10 -4.092 -13.401 6.204 1.00 35.41 O ATOM 155 CG2 THR A 10 -2.035 -12.744 7.300 1.00 33.33 C ATOM 0 H THR A 10 -3.669 -11.117 5.506 1.00 64.31 H new ATOM 0 HA THR A 10 -1.225 -12.445 4.673 1.00 54.42 H new ATOM 0 HB THR A 10 -2.257 -14.355 5.881 1.00 63.33 H new ATOM 0 HG1 THR A 10 -4.306 -13.926 7.003 1.00 35.41 H new ATOM 0 HG21 THR A 10 -2.303 -13.352 8.164 1.00 33.33 H new ATOM 0 HG22 THR A 10 -0.950 -12.720 7.196 1.00 33.33 H new ATOM 0 HG23 THR A 10 -2.409 -11.730 7.440 1.00 33.33 H new ATOM 163 N ASP A 11 -4.069 -12.820 3.098 1.00 30.55 N ATOM 164 CA ASP A 11 -4.775 -13.389 1.951 1.00 22.15 C ATOM 165 C ASP A 11 -4.411 -12.602 0.688 1.00 5.10 C ATOM 166 O ASP A 11 -4.905 -11.492 0.475 1.00 13.23 O ATOM 167 CB ASP A 11 -6.299 -13.357 2.198 1.00 11.35 C ATOM 168 CG ASP A 11 -6.748 -14.285 3.335 1.00 61.13 C ATOM 169 OD1 ASP A 11 -6.590 -13.909 4.520 1.00 13.54 O ATOM 170 OD2 ASP A 11 -7.262 -15.391 3.050 1.00 43.23 O ATOM 0 H ASP A 11 -4.592 -12.085 3.573 1.00 30.55 H new ATOM 0 HA ASP A 11 -4.475 -14.428 1.816 1.00 22.15 H new ATOM 0 HB2 ASP A 11 -6.601 -12.336 2.431 1.00 11.35 H new ATOM 0 HB3 ASP A 11 -6.815 -13.641 1.281 1.00 11.35 H new ATOM 175 N THR A 12 -3.527 -13.193 -0.129 1.00 41.32 N ATOM 176 CA THR A 12 -3.029 -12.600 -1.380 1.00 54.13 C ATOM 177 C THR A 12 -4.150 -12.450 -2.431 1.00 44.22 C ATOM 178 O THR A 12 -4.106 -11.545 -3.268 1.00 64.44 O ATOM 179 CB THR A 12 -1.858 -13.471 -1.950 1.00 31.42 C ATOM 180 OG1 THR A 12 -2.264 -14.848 -2.040 1.00 14.01 O ATOM 181 CG2 THR A 12 -0.602 -13.385 -1.066 1.00 0.53 C ATOM 0 H THR A 12 -3.131 -14.113 0.064 1.00 41.32 H new ATOM 0 HA THR A 12 -2.661 -11.599 -1.154 1.00 54.13 H new ATOM 0 HB THR A 12 -1.617 -13.081 -2.939 1.00 31.42 H new ATOM 0 HG1 THR A 12 -1.526 -15.384 -2.399 1.00 14.01 H new ATOM 0 HG21 THR A 12 0.187 -14.002 -1.494 1.00 0.53 H new ATOM 0 HG22 THR A 12 -0.265 -12.350 -1.013 1.00 0.53 H new ATOM 0 HG23 THR A 12 -0.838 -13.742 -0.063 1.00 0.53 H new ATOM 189 N ASN A 13 -5.151 -13.349 -2.353 1.00 12.12 N ATOM 190 CA ASN A 13 -6.343 -13.330 -3.221 1.00 32.12 C ATOM 191 C ASN A 13 -7.236 -12.117 -2.888 1.00 2.11 C ATOM 192 O ASN A 13 -7.793 -11.492 -3.790 1.00 53.41 O ATOM 193 CB ASN A 13 -7.142 -14.658 -3.073 1.00 3.15 C ATOM 194 CG ASN A 13 -8.362 -14.760 -4.000 1.00 32.01 C ATOM 195 OD1 ASN A 13 -8.347 -14.278 -5.136 1.00 71.12 O ATOM 196 ND2 ASN A 13 -9.421 -15.386 -3.518 1.00 24.43 N ATOM 0 H ASN A 13 -5.154 -14.115 -1.680 1.00 12.12 H new ATOM 0 HA ASN A 13 -6.016 -13.238 -4.257 1.00 32.12 H new ATOM 0 HB2 ASN A 13 -6.475 -15.496 -3.274 1.00 3.15 H new ATOM 0 HB3 ASN A 13 -7.475 -14.757 -2.040 1.00 3.15 H new ATOM 0 HD21 ASN A 13 -10.260 -15.483 -4.090 1.00 24.43 H new ATOM 0 HD22 ASN A 13 -9.399 -15.773 -2.574 1.00 24.43 H new ATOM 203 N ILE A 14 -7.355 -11.789 -1.578 1.00 15.24 N ATOM 204 CA ILE A 14 -8.099 -10.595 -1.121 1.00 11.24 C ATOM 205 C ILE A 14 -7.394 -9.314 -1.605 1.00 22.12 C ATOM 206 O ILE A 14 -8.030 -8.444 -2.178 1.00 22.14 O ATOM 207 CB ILE A 14 -8.263 -10.569 0.449 1.00 72.13 C ATOM 208 CG1 ILE A 14 -9.154 -11.747 0.956 1.00 2.13 C ATOM 209 CG2 ILE A 14 -8.812 -9.223 0.958 1.00 55.44 C ATOM 210 CD1 ILE A 14 -10.558 -11.815 0.377 1.00 22.04 C ATOM 0 H ILE A 14 -6.944 -12.336 -0.821 1.00 15.24 H new ATOM 0 HA ILE A 14 -9.098 -10.643 -1.554 1.00 11.24 H new ATOM 0 HB ILE A 14 -7.262 -10.694 0.862 1.00 72.13 H new ATOM 0 HG12 ILE A 14 -8.644 -12.684 0.733 1.00 2.13 H new ATOM 0 HG13 ILE A 14 -9.232 -11.677 2.041 1.00 2.13 H new ATOM 0 HG21 ILE A 14 -8.907 -9.256 2.043 1.00 55.44 H new ATOM 0 HG22 ILE A 14 -8.128 -8.422 0.677 1.00 55.44 H new ATOM 0 HG23 ILE A 14 -9.790 -9.038 0.514 1.00 55.44 H new ATOM 0 HD11 ILE A 14 -11.085 -12.671 0.799 1.00 22.04 H new ATOM 0 HD12 ILE A 14 -11.097 -10.900 0.622 1.00 22.04 H new ATOM 0 HD13 ILE A 14 -10.500 -11.923 -0.706 1.00 22.04 H new ATOM 222 N ILE A 15 -6.067 -9.244 -1.379 1.00 32.35 N ATOM 223 CA ILE A 15 -5.203 -8.122 -1.826 1.00 64.21 C ATOM 224 C ILE A 15 -5.387 -7.855 -3.335 1.00 74.32 C ATOM 225 O ILE A 15 -5.576 -6.710 -3.759 1.00 42.31 O ATOM 226 CB ILE A 15 -3.696 -8.458 -1.520 1.00 42.53 C ATOM 227 CG1 ILE A 15 -3.489 -8.618 0.012 1.00 72.32 C ATOM 228 CG2 ILE A 15 -2.720 -7.413 -2.116 1.00 32.05 C ATOM 229 CD1 ILE A 15 -2.141 -9.170 0.415 1.00 42.25 C ATOM 0 H ILE A 15 -5.556 -9.969 -0.877 1.00 32.35 H new ATOM 0 HA ILE A 15 -5.492 -7.223 -1.281 1.00 64.21 H new ATOM 0 HB ILE A 15 -3.462 -9.403 -2.010 1.00 42.53 H new ATOM 0 HG12 ILE A 15 -3.624 -7.646 0.486 1.00 72.32 H new ATOM 0 HG13 ILE A 15 -4.266 -9.274 0.403 1.00 72.32 H new ATOM 0 HG21 ILE A 15 -1.695 -7.694 -1.875 1.00 32.05 H new ATOM 0 HG22 ILE A 15 -2.842 -7.378 -3.199 1.00 32.05 H new ATOM 0 HG23 ILE A 15 -2.936 -6.431 -1.694 1.00 32.05 H new ATOM 0 HD11 ILE A 15 -2.089 -9.246 1.501 1.00 42.25 H new ATOM 0 HD12 ILE A 15 -2.006 -10.158 -0.025 1.00 42.25 H new ATOM 0 HD13 ILE A 15 -1.354 -8.504 0.060 1.00 42.25 H new ATOM 241 N SER A 16 -5.373 -8.956 -4.103 1.00 15.41 N ATOM 242 CA SER A 16 -5.526 -8.942 -5.558 1.00 11.13 C ATOM 243 C SER A 16 -6.915 -8.403 -5.954 1.00 55.31 C ATOM 244 O SER A 16 -7.016 -7.461 -6.742 1.00 71.42 O ATOM 245 CB SER A 16 -5.303 -10.372 -6.109 1.00 55.02 C ATOM 246 OG SER A 16 -5.351 -10.404 -7.520 1.00 51.11 O ATOM 0 H SER A 16 -5.253 -9.894 -3.720 1.00 15.41 H new ATOM 0 HA SER A 16 -4.781 -8.276 -5.994 1.00 11.13 H new ATOM 0 HB2 SER A 16 -4.337 -10.746 -5.770 1.00 55.02 H new ATOM 0 HB3 SER A 16 -6.063 -11.040 -5.704 1.00 55.02 H new ATOM 0 HG SER A 16 -6.220 -10.070 -7.825 1.00 51.11 H new ATOM 252 N SER A 17 -7.970 -8.988 -5.347 1.00 62.02 N ATOM 253 CA SER A 17 -9.372 -8.659 -5.661 1.00 5.10 C ATOM 254 C SER A 17 -9.677 -7.179 -5.375 1.00 70.41 C ATOM 255 O SER A 17 -10.189 -6.484 -6.243 1.00 64.33 O ATOM 256 CB SER A 17 -10.335 -9.570 -4.865 1.00 5.04 C ATOM 257 OG SER A 17 -11.696 -9.275 -5.157 1.00 31.02 O ATOM 0 H SER A 17 -7.871 -9.702 -4.625 1.00 62.02 H new ATOM 0 HA SER A 17 -9.524 -8.834 -6.726 1.00 5.10 H new ATOM 0 HB2 SER A 17 -10.129 -10.614 -5.103 1.00 5.04 H new ATOM 0 HB3 SER A 17 -10.156 -9.445 -3.797 1.00 5.04 H new ATOM 0 HG SER A 17 -12.278 -9.869 -4.639 1.00 31.02 H new ATOM 263 N VAL A 18 -9.316 -6.719 -4.158 1.00 73.03 N ATOM 264 CA VAL A 18 -9.525 -5.329 -3.705 1.00 75.34 C ATOM 265 C VAL A 18 -8.796 -4.332 -4.607 1.00 51.24 C ATOM 266 O VAL A 18 -9.352 -3.295 -4.952 1.00 35.33 O ATOM 267 CB VAL A 18 -9.039 -5.120 -2.222 1.00 64.14 C ATOM 268 CG1 VAL A 18 -9.127 -3.636 -1.783 1.00 3.15 C ATOM 269 CG2 VAL A 18 -9.836 -6.014 -1.259 1.00 22.24 C ATOM 0 H VAL A 18 -8.867 -7.308 -3.457 1.00 73.03 H new ATOM 0 HA VAL A 18 -10.599 -5.148 -3.758 1.00 75.34 H new ATOM 0 HB VAL A 18 -7.989 -5.409 -2.184 1.00 64.14 H new ATOM 0 HG11 VAL A 18 -8.782 -3.540 -0.754 1.00 3.15 H new ATOM 0 HG12 VAL A 18 -8.501 -3.026 -2.434 1.00 3.15 H new ATOM 0 HG13 VAL A 18 -10.161 -3.297 -1.852 1.00 3.15 H new ATOM 0 HG21 VAL A 18 -9.485 -5.854 -0.240 1.00 22.24 H new ATOM 0 HG22 VAL A 18 -10.895 -5.763 -1.321 1.00 22.24 H new ATOM 0 HG23 VAL A 18 -9.694 -7.060 -1.532 1.00 22.24 H new ATOM 279 N GLN A 19 -7.547 -4.663 -4.972 1.00 0.40 N ATOM 280 CA GLN A 19 -6.709 -3.799 -5.812 1.00 53.13 C ATOM 281 C GLN A 19 -7.375 -3.575 -7.182 1.00 23.21 C ATOM 282 O GLN A 19 -7.590 -2.429 -7.602 1.00 54.43 O ATOM 283 CB GLN A 19 -5.308 -4.423 -5.982 1.00 70.21 C ATOM 284 CG GLN A 19 -4.287 -3.515 -6.685 1.00 55.25 C ATOM 285 CD GLN A 19 -2.931 -4.172 -6.933 1.00 5.24 C ATOM 286 OE1 GLN A 19 -2.262 -3.857 -7.913 1.00 62.14 O ATOM 287 NE2 GLN A 19 -2.496 -5.065 -6.044 1.00 62.00 N ATOM 0 H GLN A 19 -7.093 -5.533 -4.694 1.00 0.40 H new ATOM 0 HA GLN A 19 -6.600 -2.831 -5.323 1.00 53.13 H new ATOM 0 HB2 GLN A 19 -4.921 -4.690 -4.998 1.00 70.21 H new ATOM 0 HB3 GLN A 19 -5.403 -5.349 -6.549 1.00 70.21 H new ATOM 0 HG2 GLN A 19 -4.702 -3.192 -7.640 1.00 55.25 H new ATOM 0 HG3 GLN A 19 -4.139 -2.619 -6.082 1.00 55.25 H new ATOM 0 HE21 GLN A 19 -3.074 -5.307 -5.239 1.00 62.00 H new ATOM 0 HE22 GLN A 19 -1.585 -5.506 -6.168 1.00 62.00 H new ATOM 296 N GLU A 20 -7.759 -4.690 -7.827 1.00 2.02 N ATOM 297 CA GLU A 20 -8.465 -4.683 -9.124 1.00 11.23 C ATOM 298 C GLU A 20 -9.808 -3.925 -9.011 1.00 61.41 C ATOM 299 O GLU A 20 -10.173 -3.156 -9.907 1.00 1.33 O ATOM 300 CB GLU A 20 -8.687 -6.142 -9.598 1.00 0.24 C ATOM 301 CG GLU A 20 -7.386 -6.924 -9.882 1.00 64.54 C ATOM 302 CD GLU A 20 -7.633 -8.409 -10.203 1.00 55.31 C ATOM 303 OE1 GLU A 20 -8.084 -8.715 -11.327 1.00 60.00 O ATOM 304 OE2 GLU A 20 -7.381 -9.275 -9.342 1.00 11.42 O ATOM 0 H GLU A 20 -7.588 -5.627 -7.463 1.00 2.02 H new ATOM 0 HA GLU A 20 -7.855 -4.162 -9.862 1.00 11.23 H new ATOM 0 HB2 GLU A 20 -9.259 -6.675 -8.838 1.00 0.24 H new ATOM 0 HB3 GLU A 20 -9.294 -6.129 -10.503 1.00 0.24 H new ATOM 0 HG2 GLU A 20 -6.865 -6.459 -10.719 1.00 64.54 H new ATOM 0 HG3 GLU A 20 -6.728 -6.850 -9.016 1.00 64.54 H new ATOM 311 N ARG A 21 -10.498 -4.118 -7.870 1.00 2.43 N ATOM 312 CA ARG A 21 -11.758 -3.414 -7.553 1.00 32.51 C ATOM 313 C ARG A 21 -11.503 -1.922 -7.310 1.00 23.41 C ATOM 314 O ARG A 21 -12.376 -1.118 -7.551 1.00 4.14 O ATOM 315 CB ARG A 21 -12.463 -4.028 -6.303 1.00 40.12 C ATOM 316 CG ARG A 21 -13.109 -5.406 -6.535 1.00 10.14 C ATOM 317 CD ARG A 21 -13.782 -5.961 -5.269 1.00 50.23 C ATOM 318 NE ARG A 21 -14.410 -7.267 -5.518 1.00 33.31 N ATOM 319 CZ ARG A 21 -15.529 -7.719 -4.939 1.00 1.51 C ATOM 320 NH1 ARG A 21 -16.192 -6.973 -4.044 1.00 44.44 N ATOM 321 NH2 ARG A 21 -15.996 -8.911 -5.268 1.00 13.24 N ATOM 0 H ARG A 21 -10.198 -4.766 -7.142 1.00 2.43 H new ATOM 0 HA ARG A 21 -12.414 -3.534 -8.415 1.00 32.51 H new ATOM 0 HB2 ARG A 21 -11.733 -4.116 -5.499 1.00 40.12 H new ATOM 0 HB3 ARG A 21 -13.232 -3.335 -5.961 1.00 40.12 H new ATOM 0 HG2 ARG A 21 -13.849 -5.327 -7.331 1.00 10.14 H new ATOM 0 HG3 ARG A 21 -12.348 -6.108 -6.875 1.00 10.14 H new ATOM 0 HD2 ARG A 21 -13.041 -6.058 -4.475 1.00 50.23 H new ATOM 0 HD3 ARG A 21 -14.535 -5.256 -4.918 1.00 50.23 H new ATOM 0 HE ARG A 21 -13.953 -7.882 -6.191 1.00 33.31 H new ATOM 0 HH11 ARG A 21 -15.845 -6.047 -3.795 1.00 44.44 H new ATOM 0 HH12 ARG A 21 -17.043 -7.332 -3.612 1.00 44.44 H new ATOM 0 HH21 ARG A 21 -15.504 -9.479 -5.958 1.00 13.24 H new ATOM 0 HH22 ARG A 21 -16.848 -9.263 -4.832 1.00 13.24 H new ATOM 335 N ALA A 22 -10.304 -1.577 -6.829 1.00 40.43 N ATOM 336 CA ALA A 22 -9.949 -0.192 -6.487 1.00 62.24 C ATOM 337 C ALA A 22 -9.712 0.648 -7.750 1.00 54.20 C ATOM 338 O ALA A 22 -10.043 1.824 -7.767 1.00 61.14 O ATOM 339 CB ALA A 22 -8.738 -0.169 -5.543 1.00 22.43 C ATOM 0 H ALA A 22 -9.552 -2.247 -6.665 1.00 40.43 H new ATOM 0 HA ALA A 22 -10.788 0.262 -5.960 1.00 62.24 H new ATOM 0 HB1 ALA A 22 -8.487 0.863 -5.299 1.00 22.43 H new ATOM 0 HB2 ALA A 22 -8.979 -0.710 -4.628 1.00 22.43 H new ATOM 0 HB3 ALA A 22 -7.887 -0.644 -6.031 1.00 22.43 H new ATOM 345 N LYS A 23 -9.150 0.037 -8.818 1.00 44.24 N ATOM 346 CA LYS A 23 -9.048 0.718 -10.138 1.00 52.01 C ATOM 347 C LYS A 23 -10.369 0.614 -10.930 1.00 71.35 C ATOM 348 O LYS A 23 -10.630 1.437 -11.804 1.00 23.45 O ATOM 349 CB LYS A 23 -7.869 0.189 -11.006 1.00 71.24 C ATOM 350 CG LYS A 23 -6.454 0.650 -10.561 1.00 61.44 C ATOM 351 CD LYS A 23 -5.863 -0.171 -9.399 1.00 11.12 C ATOM 352 CE LYS A 23 -5.563 -1.625 -9.799 1.00 34.41 C ATOM 353 NZ LYS A 23 -4.587 -1.728 -10.916 1.00 13.25 N ATOM 0 H LYS A 23 -8.766 -0.908 -8.799 1.00 44.24 H new ATOM 0 HA LYS A 23 -8.846 1.766 -9.915 1.00 52.01 H new ATOM 0 HB2 LYS A 23 -7.896 -0.901 -11.000 1.00 71.24 H new ATOM 0 HB3 LYS A 23 -8.028 0.506 -12.037 1.00 71.24 H new ATOM 0 HG2 LYS A 23 -5.779 0.590 -11.415 1.00 61.44 H new ATOM 0 HG3 LYS A 23 -6.501 1.698 -10.265 1.00 61.44 H new ATOM 0 HD2 LYS A 23 -4.945 0.304 -9.053 1.00 11.12 H new ATOM 0 HD3 LYS A 23 -6.561 -0.164 -8.562 1.00 11.12 H new ATOM 0 HE2 LYS A 23 -5.175 -2.162 -8.933 1.00 34.41 H new ATOM 0 HE3 LYS A 23 -6.492 -2.116 -10.089 1.00 34.41 H new ATOM 0 HZ1 LYS A 23 -4.294 -2.719 -11.031 1.00 13.25 H new ATOM 0 HZ2 LYS A 23 -5.030 -1.393 -11.796 1.00 13.25 H new ATOM 0 HZ3 LYS A 23 -3.753 -1.143 -10.704 1.00 13.25 H new ATOM 367 N HIS A 24 -11.183 -0.414 -10.645 1.00 32.42 N ATOM 368 CA HIS A 24 -12.504 -0.580 -11.292 1.00 62.52 C ATOM 369 C HIS A 24 -13.485 0.485 -10.763 1.00 12.24 C ATOM 370 O HIS A 24 -14.207 1.126 -11.526 1.00 54.14 O ATOM 371 CB HIS A 24 -13.058 -2.008 -11.027 1.00 61.44 C ATOM 372 CG HIS A 24 -14.383 -2.308 -11.692 1.00 74.34 C ATOM 373 ND1 HIS A 24 -14.482 -2.872 -12.945 1.00 52.24 N ATOM 374 CD2 HIS A 24 -15.662 -2.140 -11.265 1.00 42.44 C ATOM 375 CE1 HIS A 24 -15.750 -3.029 -13.259 1.00 50.34 C ATOM 376 NE2 HIS A 24 -16.486 -2.595 -12.260 1.00 2.13 N ATOM 0 H HIS A 24 -10.954 -1.145 -9.972 1.00 32.42 H new ATOM 0 HA HIS A 24 -12.390 -0.449 -12.368 1.00 62.52 H new ATOM 0 HB2 HIS A 24 -12.323 -2.737 -11.368 1.00 61.44 H new ATOM 0 HB3 HIS A 24 -13.168 -2.146 -9.951 1.00 61.44 H new ATOM 0 HD2 HIS A 24 -15.971 -1.725 -10.317 1.00 42.44 H new ATOM 0 HE1 HIS A 24 -16.124 -3.445 -14.183 1.00 50.34 H new ATOM 0 HE2 HIS A 24 -17.506 -2.597 -12.231 1.00 2.13 H new ATOM 385 N ASN A 25 -13.458 0.657 -9.440 1.00 62.41 N ATOM 386 CA ASN A 25 -14.383 1.528 -8.694 1.00 64.33 C ATOM 387 C ASN A 25 -13.890 2.982 -8.769 1.00 21.44 C ATOM 388 O ASN A 25 -14.687 3.919 -8.902 1.00 40.01 O ATOM 389 CB ASN A 25 -14.459 1.023 -7.215 1.00 70.45 C ATOM 390 CG ASN A 25 -15.643 1.543 -6.394 1.00 33.12 C ATOM 391 OD1 ASN A 25 -16.172 2.621 -6.630 1.00 43.11 O ATOM 392 ND2 ASN A 25 -16.051 0.775 -5.388 1.00 53.40 N ATOM 0 H ASN A 25 -12.780 0.187 -8.840 1.00 62.41 H new ATOM 0 HA ASN A 25 -15.383 1.492 -9.127 1.00 64.33 H new ATOM 0 HB2 ASN A 25 -14.498 -0.066 -7.224 1.00 70.45 H new ATOM 0 HB3 ASN A 25 -13.537 1.305 -6.707 1.00 70.45 H new ATOM 0 HD21 ASN A 25 -16.821 1.081 -4.793 1.00 53.40 H new ATOM 0 HD22 ASN A 25 -15.594 -0.120 -5.211 1.00 53.40 H new ATOM 399 N TYR A 26 -12.550 3.151 -8.700 1.00 15.13 N ATOM 400 CA TYR A 26 -11.880 4.463 -8.719 1.00 21.43 C ATOM 401 C TYR A 26 -10.797 4.449 -9.842 1.00 12.24 C ATOM 402 O TYR A 26 -9.620 4.187 -9.566 1.00 74.20 O ATOM 403 CB TYR A 26 -11.247 4.760 -7.316 1.00 43.12 C ATOM 404 CG TYR A 26 -12.075 4.285 -6.101 1.00 4.21 C ATOM 405 CD1 TYR A 26 -13.295 4.878 -5.774 1.00 63.14 C ATOM 406 CD2 TYR A 26 -11.641 3.218 -5.296 1.00 73.41 C ATOM 407 CE1 TYR A 26 -14.047 4.425 -4.703 1.00 4.22 C ATOM 408 CE2 TYR A 26 -12.388 2.772 -4.221 1.00 11.35 C ATOM 409 CZ TYR A 26 -13.592 3.373 -3.934 1.00 31.30 C ATOM 410 OH TYR A 26 -14.357 2.915 -2.882 1.00 41.44 O ATOM 0 H TYR A 26 -11.900 2.368 -8.629 1.00 15.13 H new ATOM 0 HA TYR A 26 -12.598 5.256 -8.929 1.00 21.43 H new ATOM 0 HB2 TYR A 26 -10.265 4.288 -7.272 1.00 43.12 H new ATOM 0 HB3 TYR A 26 -11.088 5.835 -7.228 1.00 43.12 H new ATOM 0 HD1 TYR A 26 -13.659 5.704 -6.366 1.00 63.14 H new ATOM 0 HD2 TYR A 26 -10.702 2.735 -5.522 1.00 73.41 H new ATOM 0 HE1 TYR A 26 -14.991 4.895 -4.469 1.00 4.22 H new ATOM 0 HE2 TYR A 26 -12.028 1.957 -3.610 1.00 11.35 H new ATOM 0 HH TYR A 26 -13.896 2.170 -2.443 1.00 41.44 H new ATOM 420 N PRO A 27 -11.195 4.687 -11.138 1.00 74.33 N ATOM 421 CA PRO A 27 -10.292 4.518 -12.320 1.00 52.33 C ATOM 422 C PRO A 27 -9.049 5.442 -12.313 1.00 52.12 C ATOM 423 O PRO A 27 -7.931 4.995 -12.616 1.00 1.11 O ATOM 424 CB PRO A 27 -11.225 4.811 -13.530 1.00 74.31 C ATOM 425 CG PRO A 27 -12.357 5.621 -12.964 1.00 73.45 C ATOM 426 CD PRO A 27 -12.560 5.116 -11.554 1.00 4.51 C ATOM 0 HA PRO A 27 -9.848 3.523 -12.338 1.00 52.33 H new ATOM 0 HB2 PRO A 27 -10.698 5.361 -14.310 1.00 74.31 H new ATOM 0 HB3 PRO A 27 -11.588 3.887 -13.981 1.00 74.31 H new ATOM 0 HG2 PRO A 27 -12.117 6.684 -12.968 1.00 73.45 H new ATOM 0 HG3 PRO A 27 -13.262 5.496 -13.558 1.00 73.45 H new ATOM 0 HD2 PRO A 27 -12.952 5.896 -10.901 1.00 4.51 H new ATOM 0 HD3 PRO A 27 -13.268 4.288 -11.522 1.00 4.51 H new ATOM 434 N GLY A 28 -9.254 6.721 -11.955 1.00 12.22 N ATOM 435 CA GLY A 28 -8.185 7.728 -11.965 1.00 74.32 C ATOM 436 C GLY A 28 -7.550 7.891 -10.596 1.00 71.14 C ATOM 437 O GLY A 28 -7.587 8.981 -10.007 1.00 24.42 O ATOM 0 H GLY A 28 -10.159 7.082 -11.653 1.00 12.22 H new ATOM 0 HA2 GLY A 28 -7.421 7.440 -12.688 1.00 74.32 H new ATOM 0 HA3 GLY A 28 -8.590 8.685 -12.294 1.00 74.32 H new ATOM 441 N ARG A 29 -6.990 6.786 -10.070 1.00 43.14 N ATOM 442 CA ARG A 29 -6.330 6.760 -8.750 1.00 31.54 C ATOM 443 C ARG A 29 -4.975 6.065 -8.832 1.00 31.13 C ATOM 444 O ARG A 29 -4.838 5.017 -9.474 1.00 41.20 O ATOM 445 CB ARG A 29 -7.217 6.055 -7.696 1.00 11.23 C ATOM 446 CG ARG A 29 -8.458 6.861 -7.290 1.00 42.43 C ATOM 447 CD ARG A 29 -8.095 8.228 -6.692 1.00 42.33 C ATOM 448 NE ARG A 29 -9.267 8.943 -6.188 1.00 41.05 N ATOM 449 CZ ARG A 29 -9.342 10.268 -5.989 1.00 24.31 C ATOM 450 NH1 ARG A 29 -8.307 11.072 -6.248 1.00 23.21 N ATOM 451 NH2 ARG A 29 -10.469 10.783 -5.539 1.00 22.53 N ATOM 0 H ARG A 29 -6.982 5.885 -10.548 1.00 43.14 H new ATOM 0 HA ARG A 29 -6.177 7.794 -8.441 1.00 31.54 H new ATOM 0 HB2 ARG A 29 -7.535 5.090 -8.090 1.00 11.23 H new ATOM 0 HB3 ARG A 29 -6.619 5.855 -6.807 1.00 11.23 H new ATOM 0 HG2 ARG A 29 -9.096 7.006 -8.162 1.00 42.43 H new ATOM 0 HG3 ARG A 29 -9.037 6.291 -6.563 1.00 42.43 H new ATOM 0 HD2 ARG A 29 -7.381 8.089 -5.881 1.00 42.33 H new ATOM 0 HD3 ARG A 29 -7.601 8.834 -7.451 1.00 42.33 H new ATOM 0 HE ARG A 29 -10.095 8.389 -5.970 1.00 41.05 H new ATOM 0 HH11 ARG A 29 -7.435 10.682 -6.605 1.00 23.21 H new ATOM 0 HH12 ARG A 29 -8.389 12.076 -6.088 1.00 23.21 H new ATOM 0 HH21 ARG A 29 -11.266 10.176 -5.348 1.00 22.53 H new ATOM 0 HH22 ARG A 29 -10.544 11.788 -5.382 1.00 22.53 H new ATOM 465 N GLU A 30 -3.995 6.652 -8.137 1.00 40.44 N ATOM 466 CA GLU A 30 -2.607 6.200 -8.146 1.00 72.51 C ATOM 467 C GLU A 30 -2.393 5.104 -7.093 1.00 43.23 C ATOM 468 O GLU A 30 -2.513 5.343 -5.886 1.00 62.41 O ATOM 469 CB GLU A 30 -1.680 7.420 -7.924 1.00 71.45 C ATOM 470 CG GLU A 30 -1.803 8.496 -9.022 1.00 24.45 C ATOM 471 CD GLU A 30 -1.531 7.933 -10.430 1.00 72.31 C ATOM 472 OE1 GLU A 30 -0.352 7.667 -10.752 1.00 51.05 O ATOM 473 OE2 GLU A 30 -2.490 7.744 -11.211 1.00 1.10 O ATOM 0 H GLU A 30 -4.150 7.467 -7.544 1.00 40.44 H new ATOM 0 HA GLU A 30 -2.361 5.757 -9.111 1.00 72.51 H new ATOM 0 HB2 GLU A 30 -1.910 7.870 -6.958 1.00 71.45 H new ATOM 0 HB3 GLU A 30 -0.646 7.077 -7.877 1.00 71.45 H new ATOM 0 HG2 GLU A 30 -2.804 8.928 -8.993 1.00 24.45 H new ATOM 0 HG3 GLU A 30 -1.101 9.304 -8.815 1.00 24.45 H new ATOM 480 N ILE A 31 -2.105 3.890 -7.582 1.00 71.32 N ATOM 481 CA ILE A 31 -1.919 2.675 -6.776 1.00 74.12 C ATOM 482 C ILE A 31 -0.658 1.941 -7.273 1.00 51.43 C ATOM 483 O ILE A 31 -0.407 1.880 -8.480 1.00 75.44 O ATOM 484 CB ILE A 31 -3.199 1.744 -6.872 1.00 10.32 C ATOM 485 CG1 ILE A 31 -4.425 2.444 -6.197 1.00 33.41 C ATOM 486 CG2 ILE A 31 -2.944 0.340 -6.269 1.00 24.32 C ATOM 487 CD1 ILE A 31 -5.704 1.635 -6.147 1.00 60.54 C ATOM 0 H ILE A 31 -1.991 3.721 -8.581 1.00 71.32 H new ATOM 0 HA ILE A 31 -1.789 2.942 -5.727 1.00 74.12 H new ATOM 0 HB ILE A 31 -3.425 1.591 -7.927 1.00 10.32 H new ATOM 0 HG12 ILE A 31 -4.149 2.714 -5.178 1.00 33.41 H new ATOM 0 HG13 ILE A 31 -4.627 3.374 -6.729 1.00 33.41 H new ATOM 0 HG21 ILE A 31 -3.848 -0.263 -6.357 1.00 24.32 H new ATOM 0 HG22 ILE A 31 -2.130 -0.145 -6.808 1.00 24.32 H new ATOM 0 HG23 ILE A 31 -2.674 0.439 -5.218 1.00 24.32 H new ATOM 0 HD11 ILE A 31 -6.485 2.218 -5.659 1.00 60.54 H new ATOM 0 HD12 ILE A 31 -6.017 1.387 -7.161 1.00 60.54 H new ATOM 0 HD13 ILE A 31 -5.532 0.717 -5.585 1.00 60.54 H new ATOM 499 N ARG A 32 0.144 1.407 -6.335 1.00 34.32 N ATOM 500 CA ARG A 32 1.388 0.674 -6.636 1.00 44.41 C ATOM 501 C ARG A 32 1.329 -0.698 -5.921 1.00 3.24 C ATOM 502 O ARG A 32 0.797 -0.795 -4.814 1.00 24.23 O ATOM 503 CB ARG A 32 2.610 1.534 -6.152 1.00 20.15 C ATOM 504 CG ARG A 32 3.852 1.527 -7.075 1.00 74.20 C ATOM 505 CD ARG A 32 4.459 0.128 -7.295 1.00 64.13 C ATOM 506 NE ARG A 32 5.794 0.166 -7.922 1.00 24.24 N ATOM 507 CZ ARG A 32 6.597 -0.907 -8.104 1.00 13.41 C ATOM 508 NH1 ARG A 32 6.220 -2.126 -7.715 1.00 74.23 N ATOM 509 NH2 ARG A 32 7.788 -0.748 -8.646 1.00 43.34 N ATOM 0 H ARG A 32 -0.055 1.472 -5.337 1.00 34.32 H new ATOM 0 HA ARG A 32 1.502 0.500 -7.706 1.00 44.41 H new ATOM 0 HB2 ARG A 32 2.278 2.565 -6.031 1.00 20.15 H new ATOM 0 HB3 ARG A 32 2.912 1.178 -5.167 1.00 20.15 H new ATOM 0 HG2 ARG A 32 3.576 1.949 -8.042 1.00 74.20 H new ATOM 0 HG3 ARG A 32 4.613 2.180 -6.648 1.00 74.20 H new ATOM 0 HD2 ARG A 32 4.530 -0.385 -6.336 1.00 64.13 H new ATOM 0 HD3 ARG A 32 3.787 -0.458 -7.922 1.00 64.13 H new ATOM 0 HE ARG A 32 6.138 1.071 -8.243 1.00 24.24 H new ATOM 0 HH11 ARG A 32 5.312 -2.262 -7.271 1.00 74.23 H new ATOM 0 HH12 ARG A 32 6.840 -2.923 -7.861 1.00 74.23 H new ATOM 0 HH21 ARG A 32 8.101 0.182 -8.926 1.00 43.34 H new ATOM 0 HH22 ARG A 32 8.397 -1.554 -8.785 1.00 43.34 H new ATOM 523 N THR A 33 1.848 -1.756 -6.555 1.00 44.41 N ATOM 524 CA THR A 33 1.912 -3.097 -5.944 1.00 70.51 C ATOM 525 C THR A 33 3.328 -3.349 -5.380 1.00 62.11 C ATOM 526 O THR A 33 4.296 -2.745 -5.836 1.00 22.35 O ATOM 527 CB THR A 33 1.553 -4.202 -6.994 1.00 1.23 C ATOM 528 OG1 THR A 33 0.464 -3.757 -7.815 1.00 33.14 O ATOM 529 CG2 THR A 33 1.168 -5.536 -6.319 1.00 74.31 C ATOM 0 H THR A 33 2.234 -1.712 -7.498 1.00 44.41 H new ATOM 0 HA THR A 33 1.186 -3.143 -5.132 1.00 70.51 H new ATOM 0 HB THR A 33 2.440 -4.375 -7.603 1.00 1.23 H new ATOM 0 HG1 THR A 33 -0.384 -4.052 -7.422 1.00 33.14 H new ATOM 0 HG21 THR A 33 0.927 -6.274 -7.084 1.00 74.31 H new ATOM 0 HG22 THR A 33 2.004 -5.895 -5.719 1.00 74.31 H new ATOM 0 HG23 THR A 33 0.301 -5.382 -5.677 1.00 74.31 H new ATOM 537 N ALA A 34 3.442 -4.249 -4.398 1.00 53.05 N ATOM 538 CA ALA A 34 4.732 -4.665 -3.836 1.00 22.25 C ATOM 539 C ALA A 34 4.728 -6.181 -3.643 1.00 70.53 C ATOM 540 O ALA A 34 4.047 -6.703 -2.758 1.00 13.52 O ATOM 541 CB ALA A 34 5.020 -3.925 -2.524 1.00 41.44 C ATOM 0 H ALA A 34 2.640 -4.711 -3.969 1.00 53.05 H new ATOM 0 HA ALA A 34 5.533 -4.404 -4.527 1.00 22.25 H new ATOM 0 HB1 ALA A 34 5.981 -4.250 -2.126 1.00 41.44 H new ATOM 0 HB2 ALA A 34 5.049 -2.851 -2.710 1.00 41.44 H new ATOM 0 HB3 ALA A 34 4.235 -4.147 -1.801 1.00 41.44 H new ATOM 547 N THR A 35 5.463 -6.879 -4.515 1.00 34.31 N ATOM 548 CA THR A 35 5.570 -8.347 -4.502 1.00 43.31 C ATOM 549 C THR A 35 6.754 -8.789 -3.611 1.00 23.22 C ATOM 550 O THR A 35 6.744 -9.887 -3.034 1.00 21.23 O ATOM 551 CB THR A 35 5.771 -8.877 -5.965 1.00 64.13 C ATOM 552 OG1 THR A 35 4.823 -8.237 -6.842 1.00 71.24 O ATOM 553 CG2 THR A 35 5.597 -10.405 -6.075 1.00 11.03 C ATOM 0 H THR A 35 6.007 -6.439 -5.258 1.00 34.31 H new ATOM 0 HA THR A 35 4.650 -8.766 -4.093 1.00 43.31 H new ATOM 0 HB THR A 35 6.795 -8.639 -6.253 1.00 64.13 H new ATOM 0 HG1 THR A 35 4.949 -8.566 -7.756 1.00 71.24 H new ATOM 0 HG21 THR A 35 5.747 -10.715 -7.109 1.00 11.03 H new ATOM 0 HG22 THR A 35 6.329 -10.901 -5.438 1.00 11.03 H new ATOM 0 HG23 THR A 35 4.592 -10.681 -5.756 1.00 11.03 H new ATOM 561 N SER A 36 7.759 -7.903 -3.491 1.00 0.43 N ATOM 562 CA SER A 36 9.039 -8.215 -2.844 1.00 72.41 C ATOM 563 C SER A 36 9.646 -6.959 -2.185 1.00 61.43 C ATOM 564 O SER A 36 9.103 -5.850 -2.304 1.00 14.30 O ATOM 565 CB SER A 36 10.007 -8.813 -3.905 1.00 22.33 C ATOM 566 OG SER A 36 11.247 -9.215 -3.334 1.00 32.01 O ATOM 0 H SER A 36 7.702 -6.947 -3.843 1.00 0.43 H new ATOM 0 HA SER A 36 8.876 -8.946 -2.052 1.00 72.41 H new ATOM 0 HB2 SER A 36 9.534 -9.671 -4.384 1.00 22.33 H new ATOM 0 HB3 SER A 36 10.190 -8.074 -4.685 1.00 22.33 H new ATOM 0 HG SER A 36 11.824 -9.586 -4.034 1.00 32.01 H new ATOM 572 N SER A 37 10.787 -7.164 -1.499 1.00 32.22 N ATOM 573 CA SER A 37 11.579 -6.104 -0.852 1.00 2.24 C ATOM 574 C SER A 37 12.076 -5.067 -1.873 1.00 74.33 C ATOM 575 O SER A 37 12.101 -3.866 -1.590 1.00 41.31 O ATOM 576 CB SER A 37 12.769 -6.759 -0.110 1.00 31.51 C ATOM 577 OG SER A 37 13.542 -7.570 -0.988 1.00 61.44 O ATOM 0 H SER A 37 11.191 -8.093 -1.377 1.00 32.22 H new ATOM 0 HA SER A 37 10.948 -5.570 -0.142 1.00 2.24 H new ATOM 0 HB2 SER A 37 13.401 -5.984 0.324 1.00 31.51 H new ATOM 0 HB3 SER A 37 12.396 -7.366 0.715 1.00 31.51 H new ATOM 0 HG SER A 37 14.287 -7.970 -0.493 1.00 61.44 H new ATOM 583 N GLN A 38 12.437 -5.560 -3.071 1.00 32.03 N ATOM 584 CA GLN A 38 12.935 -4.732 -4.179 1.00 1.11 C ATOM 585 C GLN A 38 11.885 -3.680 -4.599 1.00 70.24 C ATOM 586 O GLN A 38 12.229 -2.523 -4.884 1.00 21.11 O ATOM 587 CB GLN A 38 13.317 -5.639 -5.382 1.00 54.44 C ATOM 588 CG GLN A 38 14.092 -4.922 -6.508 1.00 34.50 C ATOM 589 CD GLN A 38 15.484 -4.451 -6.068 1.00 15.32 C ATOM 590 OE1 GLN A 38 15.655 -3.340 -5.569 1.00 33.11 O ATOM 591 NE2 GLN A 38 16.491 -5.290 -6.249 1.00 4.05 N ATOM 0 H GLN A 38 12.390 -6.553 -3.297 1.00 32.03 H new ATOM 0 HA GLN A 38 13.823 -4.197 -3.843 1.00 1.11 H new ATOM 0 HB2 GLN A 38 13.920 -6.470 -5.016 1.00 54.44 H new ATOM 0 HB3 GLN A 38 12.406 -6.066 -5.801 1.00 54.44 H new ATOM 0 HG2 GLN A 38 14.194 -5.596 -7.358 1.00 34.50 H new ATOM 0 HG3 GLN A 38 13.514 -4.063 -6.850 1.00 34.50 H new ATOM 0 HE21 GLN A 38 16.323 -6.206 -6.665 1.00 4.05 H new ATOM 0 HE22 GLN A 38 17.435 -5.021 -5.972 1.00 4.05 H new ATOM 600 N ASP A 39 10.601 -4.102 -4.606 1.00 22.33 N ATOM 601 CA ASP A 39 9.464 -3.219 -4.918 1.00 74.12 C ATOM 602 C ASP A 39 9.386 -2.068 -3.910 1.00 2.51 C ATOM 603 O ASP A 39 9.379 -0.924 -4.309 1.00 64.55 O ATOM 604 CB ASP A 39 8.125 -3.998 -4.913 1.00 62.12 C ATOM 605 CG ASP A 39 8.004 -5.038 -6.034 1.00 53.22 C ATOM 606 OD1 ASP A 39 7.535 -4.687 -7.135 1.00 34.50 O ATOM 607 OD2 ASP A 39 8.365 -6.212 -5.813 1.00 54.41 O ATOM 0 H ASP A 39 10.328 -5.062 -4.396 1.00 22.33 H new ATOM 0 HA ASP A 39 9.628 -2.817 -5.918 1.00 74.12 H new ATOM 0 HB2 ASP A 39 8.012 -4.500 -3.952 1.00 62.12 H new ATOM 0 HB3 ASP A 39 7.303 -3.288 -5.000 1.00 62.12 H new ATOM 612 N ILE A 40 9.369 -2.414 -2.607 1.00 32.44 N ATOM 613 CA ILE A 40 9.316 -1.454 -1.472 1.00 41.12 C ATOM 614 C ILE A 40 10.307 -0.290 -1.665 1.00 60.12 C ATOM 615 O ILE A 40 9.935 0.886 -1.611 1.00 74.31 O ATOM 616 CB ILE A 40 9.649 -2.204 -0.123 1.00 53.24 C ATOM 617 CG1 ILE A 40 8.531 -3.233 0.238 1.00 1.22 C ATOM 618 CG2 ILE A 40 9.926 -1.230 1.049 1.00 0.20 C ATOM 619 CD1 ILE A 40 7.180 -2.634 0.563 1.00 15.24 C ATOM 0 H ILE A 40 9.392 -3.387 -2.302 1.00 32.44 H new ATOM 0 HA ILE A 40 8.308 -1.041 -1.434 1.00 41.12 H new ATOM 0 HB ILE A 40 10.575 -2.755 -0.288 1.00 53.24 H new ATOM 0 HG12 ILE A 40 8.412 -3.923 -0.597 1.00 1.22 H new ATOM 0 HG13 ILE A 40 8.864 -3.821 1.093 1.00 1.22 H new ATOM 0 HG21 ILE A 40 10.149 -1.800 1.951 1.00 0.20 H new ATOM 0 HG22 ILE A 40 10.777 -0.595 0.801 1.00 0.20 H new ATOM 0 HG23 ILE A 40 9.047 -0.608 1.221 1.00 0.20 H new ATOM 0 HD11 ILE A 40 6.476 -3.432 0.799 1.00 15.24 H new ATOM 0 HD12 ILE A 40 7.274 -1.967 1.420 1.00 15.24 H new ATOM 0 HD13 ILE A 40 6.815 -2.071 -0.296 1.00 15.24 H new ATOM 631 N ARG A 41 11.552 -0.666 -1.948 1.00 12.15 N ATOM 632 CA ARG A 41 12.681 0.259 -2.066 1.00 31.22 C ATOM 633 C ARG A 41 12.578 1.104 -3.355 1.00 54.55 C ATOM 634 O ARG A 41 13.005 2.260 -3.376 1.00 73.41 O ATOM 635 CB ARG A 41 13.983 -0.574 -2.013 1.00 64.21 C ATOM 636 CG ARG A 41 14.122 -1.389 -0.698 1.00 11.44 C ATOM 637 CD ARG A 41 15.068 -2.593 -0.827 1.00 13.12 C ATOM 638 NE ARG A 41 16.439 -2.217 -1.211 1.00 10.24 N ATOM 639 CZ ARG A 41 17.549 -2.513 -0.514 1.00 74.23 C ATOM 640 NH1 ARG A 41 17.484 -3.194 0.640 1.00 30.04 N ATOM 641 NH2 ARG A 41 18.729 -2.126 -0.981 1.00 32.42 N ATOM 0 H ARG A 41 11.811 -1.640 -2.105 1.00 12.15 H new ATOM 0 HA ARG A 41 12.676 0.973 -1.242 1.00 31.22 H new ATOM 0 HB2 ARG A 41 14.007 -1.256 -2.863 1.00 64.21 H new ATOM 0 HB3 ARG A 41 14.840 0.092 -2.115 1.00 64.21 H new ATOM 0 HG2 ARG A 41 14.487 -0.732 0.092 1.00 11.44 H new ATOM 0 HG3 ARG A 41 13.137 -1.741 -0.391 1.00 11.44 H new ATOM 0 HD2 ARG A 41 15.097 -3.127 0.123 1.00 13.12 H new ATOM 0 HD3 ARG A 41 14.667 -3.284 -1.568 1.00 13.12 H new ATOM 0 HE ARG A 41 16.555 -1.689 -2.076 1.00 10.24 H new ATOM 0 HH11 ARG A 41 16.580 -3.497 1.003 1.00 30.04 H new ATOM 0 HH12 ARG A 41 18.338 -3.409 1.154 1.00 30.04 H new ATOM 0 HH21 ARG A 41 18.786 -1.610 -1.859 1.00 32.42 H new ATOM 0 HH22 ARG A 41 19.579 -2.344 -0.462 1.00 32.42 H new ATOM 655 N ASP A 42 11.985 0.513 -4.417 1.00 51.34 N ATOM 656 CA ASP A 42 11.719 1.211 -5.696 1.00 23.54 C ATOM 657 C ASP A 42 10.588 2.247 -5.532 1.00 72.01 C ATOM 658 O ASP A 42 10.666 3.353 -6.082 1.00 22.22 O ATOM 659 CB ASP A 42 11.334 0.192 -6.808 1.00 72.23 C ATOM 660 CG ASP A 42 11.026 0.865 -8.163 1.00 30.12 C ATOM 661 OD1 ASP A 42 11.970 1.108 -8.946 1.00 5.31 O ATOM 662 OD2 ASP A 42 9.843 1.156 -8.450 1.00 44.24 O ATOM 0 H ASP A 42 11.678 -0.460 -4.412 1.00 51.34 H new ATOM 0 HA ASP A 42 12.633 1.729 -5.987 1.00 23.54 H new ATOM 0 HB2 ASP A 42 12.149 -0.520 -6.939 1.00 72.23 H new ATOM 0 HB3 ASP A 42 10.463 -0.378 -6.485 1.00 72.23 H new ATOM 667 N ILE A 43 9.547 1.861 -4.772 1.00 63.04 N ATOM 668 CA ILE A 43 8.354 2.686 -4.542 1.00 41.23 C ATOM 669 C ILE A 43 8.750 3.945 -3.776 1.00 40.22 C ATOM 670 O ILE A 43 8.463 5.042 -4.220 1.00 12.43 O ATOM 671 CB ILE A 43 7.234 1.907 -3.742 1.00 1.54 C ATOM 672 CG1 ILE A 43 6.749 0.653 -4.535 1.00 54.55 C ATOM 673 CG2 ILE A 43 6.041 2.836 -3.401 1.00 30.13 C ATOM 674 CD1 ILE A 43 5.844 -0.302 -3.765 1.00 2.35 C ATOM 0 H ILE A 43 9.513 0.959 -4.297 1.00 63.04 H new ATOM 0 HA ILE A 43 7.938 2.948 -5.515 1.00 41.23 H new ATOM 0 HB ILE A 43 7.674 1.566 -2.805 1.00 1.54 H new ATOM 0 HG12 ILE A 43 6.218 0.991 -5.425 1.00 54.55 H new ATOM 0 HG13 ILE A 43 7.624 0.100 -4.877 1.00 54.55 H new ATOM 0 HG21 ILE A 43 5.287 2.273 -2.851 1.00 30.13 H new ATOM 0 HG22 ILE A 43 6.391 3.668 -2.789 1.00 30.13 H new ATOM 0 HG23 ILE A 43 5.605 3.222 -4.323 1.00 30.13 H new ATOM 0 HD11 ILE A 43 5.566 -1.137 -4.408 1.00 2.35 H new ATOM 0 HD12 ILE A 43 6.373 -0.678 -2.890 1.00 2.35 H new ATOM 0 HD13 ILE A 43 4.945 0.226 -3.446 1.00 2.35 H new ATOM 686 N ILE A 44 9.454 3.753 -2.645 1.00 61.21 N ATOM 687 CA ILE A 44 9.890 4.847 -1.770 1.00 22.42 C ATOM 688 C ILE A 44 10.892 5.753 -2.500 1.00 4.42 C ATOM 689 O ILE A 44 10.796 6.975 -2.393 1.00 61.42 O ATOM 690 CB ILE A 44 10.474 4.299 -0.415 1.00 31.22 C ATOM 691 CG1 ILE A 44 9.366 3.490 0.338 1.00 40.31 C ATOM 692 CG2 ILE A 44 11.031 5.446 0.475 1.00 1.13 C ATOM 693 CD1 ILE A 44 9.823 2.800 1.602 1.00 41.24 C ATOM 0 H ILE A 44 9.735 2.830 -2.315 1.00 61.21 H new ATOM 0 HA ILE A 44 9.019 5.451 -1.517 1.00 22.42 H new ATOM 0 HB ILE A 44 11.311 3.638 -0.639 1.00 31.22 H new ATOM 0 HG12 ILE A 44 8.550 4.168 0.587 1.00 40.31 H new ATOM 0 HG13 ILE A 44 8.961 2.740 -0.341 1.00 40.31 H new ATOM 0 HG21 ILE A 44 11.425 5.029 1.402 1.00 1.13 H new ATOM 0 HG22 ILE A 44 11.828 5.965 -0.057 1.00 1.13 H new ATOM 0 HG23 ILE A 44 10.231 6.149 0.706 1.00 1.13 H new ATOM 0 HD11 ILE A 44 8.984 2.267 2.049 1.00 41.24 H new ATOM 0 HD12 ILE A 44 10.617 2.092 1.363 1.00 41.24 H new ATOM 0 HD13 ILE A 44 10.199 3.542 2.306 1.00 41.24 H new ATOM 705 N LYS A 45 11.807 5.141 -3.293 1.00 0.22 N ATOM 706 CA LYS A 45 12.723 5.883 -4.194 1.00 74.42 C ATOM 707 C LYS A 45 11.928 6.856 -5.096 1.00 44.21 C ATOM 708 O LYS A 45 12.295 8.030 -5.234 1.00 71.21 O ATOM 709 CB LYS A 45 13.542 4.889 -5.066 1.00 10.43 C ATOM 710 CG LYS A 45 14.487 5.530 -6.115 1.00 4.44 C ATOM 711 CD LYS A 45 15.636 6.358 -5.498 1.00 64.14 C ATOM 712 CE LYS A 45 16.618 5.506 -4.674 1.00 10.21 C ATOM 713 NZ LYS A 45 17.281 4.455 -5.495 1.00 21.41 N ATOM 0 H LYS A 45 11.930 4.129 -3.326 1.00 0.22 H new ATOM 0 HA LYS A 45 13.413 6.465 -3.582 1.00 74.42 H new ATOM 0 HB2 LYS A 45 14.138 4.261 -4.404 1.00 10.43 H new ATOM 0 HB3 LYS A 45 12.845 4.232 -5.586 1.00 10.43 H new ATOM 0 HG2 LYS A 45 14.913 4.742 -6.736 1.00 4.44 H new ATOM 0 HG3 LYS A 45 13.902 6.173 -6.773 1.00 4.44 H new ATOM 0 HD2 LYS A 45 16.182 6.862 -6.296 1.00 64.14 H new ATOM 0 HD3 LYS A 45 15.214 7.135 -4.860 1.00 64.14 H new ATOM 0 HE2 LYS A 45 17.377 6.153 -4.235 1.00 10.21 H new ATOM 0 HE3 LYS A 45 16.083 5.036 -3.849 1.00 10.21 H new ATOM 0 HZ1 LYS A 45 18.028 3.997 -4.935 1.00 21.41 H new ATOM 0 HZ2 LYS A 45 16.578 3.744 -5.782 1.00 21.41 H new ATOM 0 HZ3 LYS A 45 17.700 4.889 -6.342 1.00 21.41 H new ATOM 727 N SER A 46 10.825 6.347 -5.671 1.00 42.32 N ATOM 728 CA SER A 46 9.917 7.137 -6.512 1.00 54.13 C ATOM 729 C SER A 46 9.165 8.191 -5.669 1.00 61.22 C ATOM 730 O SER A 46 9.057 9.336 -6.081 1.00 30.05 O ATOM 731 CB SER A 46 8.924 6.197 -7.229 1.00 55.05 C ATOM 732 OG SER A 46 9.614 5.220 -8.005 1.00 60.13 O ATOM 0 H SER A 46 10.540 5.374 -5.564 1.00 42.32 H new ATOM 0 HA SER A 46 10.503 7.669 -7.261 1.00 54.13 H new ATOM 0 HB2 SER A 46 8.291 5.701 -6.493 1.00 55.05 H new ATOM 0 HB3 SER A 46 8.266 6.780 -7.874 1.00 55.05 H new ATOM 0 HG SER A 46 9.990 4.537 -7.411 1.00 60.13 H new ATOM 738 N MET A 47 8.723 7.786 -4.458 1.00 11.45 N ATOM 739 CA MET A 47 7.883 8.609 -3.553 1.00 22.04 C ATOM 740 C MET A 47 8.574 9.920 -3.149 1.00 53.33 C ATOM 741 O MET A 47 7.908 10.932 -2.928 1.00 33.31 O ATOM 742 CB MET A 47 7.513 7.813 -2.264 1.00 71.22 C ATOM 743 CG MET A 47 6.456 6.710 -2.449 1.00 61.23 C ATOM 744 SD MET A 47 4.849 7.356 -2.941 1.00 75.41 S ATOM 745 CE MET A 47 4.453 8.415 -1.561 1.00 25.43 C ATOM 0 H MET A 47 8.941 6.866 -4.074 1.00 11.45 H new ATOM 0 HA MET A 47 6.979 8.855 -4.110 1.00 22.04 H new ATOM 0 HB2 MET A 47 8.420 7.360 -1.865 1.00 71.22 H new ATOM 0 HB3 MET A 47 7.152 8.517 -1.514 1.00 71.22 H new ATOM 0 HG2 MET A 47 6.804 6.003 -3.202 1.00 61.23 H new ATOM 0 HG3 MET A 47 6.349 6.156 -1.517 1.00 61.23 H new ATOM 0 HE1 MET A 47 3.384 8.627 -1.560 1.00 25.43 H new ATOM 0 HE2 MET A 47 4.725 7.917 -0.630 1.00 25.43 H new ATOM 0 HE3 MET A 47 5.008 9.349 -1.648 1.00 25.43 H new ATOM 755 N LYS A 48 9.913 9.876 -3.033 1.00 24.32 N ATOM 756 CA LYS A 48 10.727 11.061 -2.697 1.00 43.30 C ATOM 757 C LYS A 48 10.567 12.164 -3.763 1.00 32.21 C ATOM 758 O LYS A 48 10.419 13.349 -3.447 1.00 70.25 O ATOM 759 CB LYS A 48 12.217 10.659 -2.571 1.00 13.14 C ATOM 760 CG LYS A 48 12.460 9.472 -1.623 1.00 34.35 C ATOM 761 CD LYS A 48 13.934 9.004 -1.580 1.00 14.25 C ATOM 762 CE LYS A 48 14.088 7.615 -0.938 1.00 3.24 C ATOM 763 NZ LYS A 48 15.515 7.276 -0.650 1.00 44.52 N ATOM 0 H LYS A 48 10.459 9.025 -3.168 1.00 24.32 H new ATOM 0 HA LYS A 48 10.377 11.456 -1.743 1.00 43.30 H new ATOM 0 HB2 LYS A 48 12.601 10.407 -3.560 1.00 13.14 H new ATOM 0 HB3 LYS A 48 12.787 11.518 -2.217 1.00 13.14 H new ATOM 0 HG2 LYS A 48 12.147 9.752 -0.617 1.00 34.35 H new ATOM 0 HG3 LYS A 48 11.831 8.637 -1.932 1.00 34.35 H new ATOM 0 HD2 LYS A 48 14.335 8.980 -2.593 1.00 14.25 H new ATOM 0 HD3 LYS A 48 14.526 9.728 -1.020 1.00 14.25 H new ATOM 0 HE2 LYS A 48 13.515 7.580 -0.011 1.00 3.24 H new ATOM 0 HE3 LYS A 48 13.665 6.862 -1.603 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 15.577 6.294 -0.313 1.00 44.52 H new ATOM 0 HZ2 LYS A 48 16.079 7.381 -1.518 1.00 44.52 H new ATOM 0 HZ3 LYS A 48 15.883 7.917 0.082 1.00 44.52 H new ATOM 777 N ASP A 49 10.576 11.737 -5.031 1.00 32.15 N ATOM 778 CA ASP A 49 10.501 12.635 -6.197 1.00 31.30 C ATOM 779 C ASP A 49 9.036 12.880 -6.620 1.00 14.15 C ATOM 780 O ASP A 49 8.720 13.896 -7.250 1.00 14.01 O ATOM 781 CB ASP A 49 11.310 12.015 -7.366 1.00 22.52 C ATOM 782 CG ASP A 49 11.452 12.952 -8.581 1.00 64.40 C ATOM 783 OD1 ASP A 49 12.310 13.864 -8.537 1.00 63.22 O ATOM 784 OD2 ASP A 49 10.722 12.781 -9.586 1.00 72.03 O ATOM 0 H ASP A 49 10.636 10.750 -5.282 1.00 32.15 H new ATOM 0 HA ASP A 49 10.928 13.601 -5.928 1.00 31.30 H new ATOM 0 HB2 ASP A 49 12.303 11.746 -7.007 1.00 22.52 H new ATOM 0 HB3 ASP A 49 10.825 11.092 -7.684 1.00 22.52 H new ATOM 789 N ASN A 50 8.147 11.951 -6.251 1.00 53.44 N ATOM 790 CA ASN A 50 6.746 11.949 -6.707 1.00 30.45 C ATOM 791 C ASN A 50 5.838 12.561 -5.626 1.00 13.20 C ATOM 792 O ASN A 50 5.497 11.902 -4.636 1.00 33.23 O ATOM 793 CB ASN A 50 6.324 10.492 -7.058 1.00 51.33 C ATOM 794 CG ASN A 50 5.067 10.384 -7.912 1.00 1.40 C ATOM 795 OD1 ASN A 50 4.278 9.443 -7.761 1.00 51.14 O ATOM 796 ND2 ASN A 50 4.883 11.311 -8.856 1.00 43.23 N ATOM 0 H ASN A 50 8.376 11.177 -5.627 1.00 53.44 H new ATOM 0 HA ASN A 50 6.644 12.561 -7.603 1.00 30.45 H new ATOM 0 HB2 ASN A 50 7.147 10.006 -7.583 1.00 51.33 H new ATOM 0 HB3 ASN A 50 6.166 9.940 -6.131 1.00 51.33 H new ATOM 0 HD21 ASN A 50 4.075 11.254 -9.476 1.00 43.23 H new ATOM 0 HD22 ASN A 50 5.550 12.076 -8.957 1.00 43.23 H new ATOM 803 N GLY A 51 5.466 13.843 -5.821 1.00 54.35 N ATOM 804 CA GLY A 51 4.634 14.592 -4.872 1.00 14.21 C ATOM 805 C GLY A 51 3.138 14.360 -5.063 1.00 53.30 C ATOM 806 O GLY A 51 2.350 15.313 -5.058 1.00 5.40 O ATOM 0 H GLY A 51 5.737 14.383 -6.643 1.00 54.35 H new ATOM 0 HA2 GLY A 51 4.911 14.310 -3.856 1.00 14.21 H new ATOM 0 HA3 GLY A 51 4.845 15.656 -4.976 1.00 14.21 H new ATOM 810 N LYS A 52 2.748 13.084 -5.222 1.00 42.33 N ATOM 811 CA LYS A 52 1.342 12.657 -5.303 1.00 23.23 C ATOM 812 C LYS A 52 1.169 11.364 -4.472 1.00 63.14 C ATOM 813 O LYS A 52 2.150 10.632 -4.266 1.00 31.40 O ATOM 814 CB LYS A 52 0.892 12.437 -6.779 1.00 13.40 C ATOM 815 CG LYS A 52 1.618 11.316 -7.541 1.00 71.10 C ATOM 816 CD LYS A 52 1.017 11.075 -8.943 1.00 21.44 C ATOM 817 CE LYS A 52 1.789 10.031 -9.759 1.00 30.24 C ATOM 818 NZ LYS A 52 1.825 8.702 -9.090 1.00 21.04 N ATOM 0 H LYS A 52 3.409 12.311 -5.299 1.00 42.33 H new ATOM 0 HA LYS A 52 0.706 13.444 -4.897 1.00 23.23 H new ATOM 0 HB2 LYS A 52 -0.176 12.221 -6.785 1.00 13.40 H new ATOM 0 HB3 LYS A 52 1.032 13.370 -7.324 1.00 13.40 H new ATOM 0 HG2 LYS A 52 2.673 11.571 -7.640 1.00 71.10 H new ATOM 0 HG3 LYS A 52 1.566 10.394 -6.962 1.00 71.10 H new ATOM 0 HD2 LYS A 52 -0.018 10.751 -8.837 1.00 21.44 H new ATOM 0 HD3 LYS A 52 1.001 12.017 -9.492 1.00 21.44 H new ATOM 0 HE2 LYS A 52 1.328 9.928 -10.741 1.00 30.24 H new ATOM 0 HE3 LYS A 52 2.808 10.381 -9.921 1.00 30.24 H new ATOM 0 HZ1 LYS A 52 1.856 7.952 -9.810 1.00 21.04 H new ATOM 0 HZ2 LYS A 52 2.671 8.639 -8.488 1.00 21.04 H new ATOM 0 HZ3 LYS A 52 0.974 8.585 -8.504 1.00 21.04 H new ATOM 832 N PRO A 53 -0.068 11.066 -3.969 1.00 45.01 N ATOM 833 CA PRO A 53 -0.318 9.859 -3.156 1.00 64.30 C ATOM 834 C PRO A 53 -0.260 8.550 -3.968 1.00 23.34 C ATOM 835 O PRO A 53 -0.407 8.554 -5.197 1.00 51.50 O ATOM 836 CB PRO A 53 -1.731 10.105 -2.581 1.00 1.43 C ATOM 837 CG PRO A 53 -2.402 10.980 -3.592 1.00 64.14 C ATOM 838 CD PRO A 53 -1.310 11.886 -4.114 1.00 43.41 C ATOM 0 HA PRO A 53 0.448 9.721 -2.393 1.00 64.30 H new ATOM 0 HB2 PRO A 53 -2.272 9.169 -2.445 1.00 1.43 H new ATOM 0 HB3 PRO A 53 -1.683 10.590 -1.606 1.00 1.43 H new ATOM 0 HG2 PRO A 53 -2.842 10.389 -4.395 1.00 64.14 H new ATOM 0 HG3 PRO A 53 -3.210 11.556 -3.141 1.00 64.14 H new ATOM 0 HD2 PRO A 53 -1.485 12.167 -5.153 1.00 43.41 H new ATOM 0 HD3 PRO A 53 -1.248 12.811 -3.540 1.00 43.41 H new ATOM 846 N LEU A 54 -0.037 7.444 -3.246 1.00 54.13 N ATOM 847 CA LEU A 54 -0.022 6.072 -3.800 1.00 45.41 C ATOM 848 C LEU A 54 -0.637 5.106 -2.772 1.00 45.44 C ATOM 849 O LEU A 54 -0.725 5.427 -1.589 1.00 24.42 O ATOM 850 CB LEU A 54 1.438 5.646 -4.185 1.00 64.23 C ATOM 851 CG LEU A 54 1.989 6.232 -5.535 1.00 33.21 C ATOM 852 CD1 LEU A 54 3.512 6.045 -5.677 1.00 52.21 C ATOM 853 CD2 LEU A 54 1.261 5.613 -6.745 1.00 72.45 C ATOM 0 H LEU A 54 0.142 7.472 -2.242 1.00 54.13 H new ATOM 0 HA LEU A 54 -0.618 6.040 -4.712 1.00 45.41 H new ATOM 0 HB2 LEU A 54 2.108 5.947 -3.380 1.00 64.23 H new ATOM 0 HB3 LEU A 54 1.476 4.558 -4.241 1.00 64.23 H new ATOM 0 HG LEU A 54 1.791 7.304 -5.514 1.00 33.21 H new ATOM 0 HD11 LEU A 54 3.843 6.466 -6.626 1.00 52.21 H new ATOM 0 HD12 LEU A 54 4.019 6.554 -4.857 1.00 52.21 H new ATOM 0 HD13 LEU A 54 3.752 4.982 -5.648 1.00 52.21 H new ATOM 0 HD21 LEU A 54 1.662 6.036 -7.666 1.00 72.45 H new ATOM 0 HD22 LEU A 54 1.411 4.533 -6.746 1.00 72.45 H new ATOM 0 HD23 LEU A 54 0.195 5.831 -6.679 1.00 72.45 H new ATOM 865 N VAL A 55 -1.099 3.933 -3.231 1.00 62.40 N ATOM 866 CA VAL A 55 -1.637 2.876 -2.346 1.00 74.52 C ATOM 867 C VAL A 55 -0.833 1.589 -2.583 1.00 33.31 C ATOM 868 O VAL A 55 -1.009 0.937 -3.612 1.00 32.13 O ATOM 869 CB VAL A 55 -3.174 2.613 -2.614 1.00 14.02 C ATOM 870 CG1 VAL A 55 -3.750 1.581 -1.625 1.00 23.23 C ATOM 871 CG2 VAL A 55 -3.994 3.925 -2.586 1.00 54.05 C ATOM 0 H VAL A 55 -1.112 3.686 -4.221 1.00 62.40 H new ATOM 0 HA VAL A 55 -1.542 3.202 -1.310 1.00 74.52 H new ATOM 0 HB VAL A 55 -3.256 2.196 -3.618 1.00 14.02 H new ATOM 0 HG11 VAL A 55 -4.808 1.424 -1.838 1.00 23.23 H new ATOM 0 HG12 VAL A 55 -3.215 0.637 -1.731 1.00 23.23 H new ATOM 0 HG13 VAL A 55 -3.636 1.950 -0.606 1.00 23.23 H new ATOM 0 HG21 VAL A 55 -5.044 3.702 -2.774 1.00 54.05 H new ATOM 0 HG22 VAL A 55 -3.893 4.397 -1.608 1.00 54.05 H new ATOM 0 HG23 VAL A 55 -3.623 4.602 -3.356 1.00 54.05 H new ATOM 881 N VAL A 56 0.076 1.252 -1.647 1.00 51.22 N ATOM 882 CA VAL A 56 0.971 0.083 -1.774 1.00 1.31 C ATOM 883 C VAL A 56 0.332 -1.186 -1.188 1.00 0.31 C ATOM 884 O VAL A 56 0.285 -1.366 0.029 1.00 52.34 O ATOM 885 CB VAL A 56 2.365 0.359 -1.098 1.00 21.24 C ATOM 886 CG1 VAL A 56 3.268 -0.900 -1.054 1.00 74.11 C ATOM 887 CG2 VAL A 56 3.079 1.506 -1.827 1.00 64.23 C ATOM 0 H VAL A 56 0.211 1.780 -0.785 1.00 51.22 H new ATOM 0 HA VAL A 56 1.132 -0.084 -2.839 1.00 1.31 H new ATOM 0 HB VAL A 56 2.174 0.643 -0.063 1.00 21.24 H new ATOM 0 HG11 VAL A 56 4.216 -0.651 -0.577 1.00 74.11 H new ATOM 0 HG12 VAL A 56 2.770 -1.685 -0.484 1.00 74.11 H new ATOM 0 HG13 VAL A 56 3.453 -1.251 -2.069 1.00 74.11 H new ATOM 0 HG21 VAL A 56 4.043 1.693 -1.355 1.00 64.23 H new ATOM 0 HG22 VAL A 56 3.233 1.234 -2.871 1.00 64.23 H new ATOM 0 HG23 VAL A 56 2.468 2.407 -1.773 1.00 64.23 H new ATOM 897 N PHE A 57 -0.172 -2.054 -2.073 1.00 72.41 N ATOM 898 CA PHE A 57 -0.615 -3.399 -1.704 1.00 21.43 C ATOM 899 C PHE A 57 0.608 -4.338 -1.645 1.00 30.40 C ATOM 900 O PHE A 57 1.159 -4.690 -2.694 1.00 5.11 O ATOM 901 CB PHE A 57 -1.644 -3.930 -2.743 1.00 64.33 C ATOM 902 CG PHE A 57 -3.009 -3.236 -2.733 1.00 11.42 C ATOM 903 CD1 PHE A 57 -3.206 -2.016 -3.378 1.00 51.14 C ATOM 904 CD2 PHE A 57 -4.106 -3.820 -2.092 1.00 3.44 C ATOM 905 CE1 PHE A 57 -4.445 -1.400 -3.375 1.00 13.04 C ATOM 906 CE2 PHE A 57 -5.342 -3.200 -2.088 1.00 63.30 C ATOM 907 CZ PHE A 57 -5.514 -1.993 -2.731 1.00 51.54 C ATOM 0 H PHE A 57 -0.283 -1.842 -3.064 1.00 72.41 H new ATOM 0 HA PHE A 57 -1.096 -3.365 -0.726 1.00 21.43 H new ATOM 0 HB2 PHE A 57 -1.213 -3.831 -3.739 1.00 64.33 H new ATOM 0 HB3 PHE A 57 -1.796 -4.995 -2.566 1.00 64.33 H new ATOM 0 HD1 PHE A 57 -2.379 -1.544 -3.888 1.00 51.14 H new ATOM 0 HD2 PHE A 57 -3.986 -4.770 -1.592 1.00 3.44 H new ATOM 0 HE1 PHE A 57 -4.577 -0.453 -3.877 1.00 13.04 H new ATOM 0 HE2 PHE A 57 -6.175 -3.663 -1.580 1.00 63.30 H new ATOM 0 HZ PHE A 57 -6.481 -1.512 -2.731 1.00 51.54 H new ATOM 917 N VAL A 58 1.042 -4.736 -0.431 1.00 24.32 N ATOM 918 CA VAL A 58 2.078 -5.776 -0.279 1.00 75.04 C ATOM 919 C VAL A 58 1.392 -7.152 -0.320 1.00 33.01 C ATOM 920 O VAL A 58 0.606 -7.506 0.567 1.00 12.03 O ATOM 921 CB VAL A 58 2.997 -5.613 1.006 1.00 3.35 C ATOM 922 CG1 VAL A 58 3.863 -4.342 0.916 1.00 44.24 C ATOM 923 CG2 VAL A 58 2.208 -5.623 2.327 1.00 61.01 C ATOM 0 H VAL A 58 0.694 -4.357 0.450 1.00 24.32 H new ATOM 0 HA VAL A 58 2.775 -5.669 -1.110 1.00 75.04 H new ATOM 0 HB VAL A 58 3.645 -6.489 1.017 1.00 3.35 H new ATOM 0 HG11 VAL A 58 4.481 -4.259 1.810 1.00 44.24 H new ATOM 0 HG12 VAL A 58 4.504 -4.400 0.036 1.00 44.24 H new ATOM 0 HG13 VAL A 58 3.218 -3.467 0.838 1.00 44.24 H new ATOM 0 HG21 VAL A 58 2.897 -5.508 3.163 1.00 61.01 H new ATOM 0 HG22 VAL A 58 1.493 -4.800 2.330 1.00 61.01 H new ATOM 0 HG23 VAL A 58 1.674 -6.568 2.425 1.00 61.01 H new ATOM 933 N ASN A 59 1.644 -7.898 -1.407 1.00 50.42 N ATOM 934 CA ASN A 59 0.962 -9.168 -1.689 1.00 4.12 C ATOM 935 C ASN A 59 1.512 -10.299 -0.802 1.00 4.51 C ATOM 936 O ASN A 59 2.449 -11.004 -1.186 1.00 63.13 O ATOM 937 CB ASN A 59 1.072 -9.496 -3.197 1.00 74.44 C ATOM 938 CG ASN A 59 0.287 -10.748 -3.614 1.00 44.40 C ATOM 939 OD1 ASN A 59 0.836 -11.850 -3.700 1.00 42.25 O ATOM 940 ND2 ASN A 59 -1.010 -10.589 -3.858 1.00 15.22 N ATOM 0 H ASN A 59 2.329 -7.635 -2.116 1.00 50.42 H new ATOM 0 HA ASN A 59 -0.096 -9.071 -1.445 1.00 4.12 H new ATOM 0 HB2 ASN A 59 0.712 -8.643 -3.773 1.00 74.44 H new ATOM 0 HB3 ASN A 59 2.122 -9.634 -3.454 1.00 74.44 H new ATOM 0 HD21 ASN A 59 -1.581 -11.391 -4.125 1.00 15.22 H new ATOM 0 HD22 ASN A 59 -1.434 -9.665 -3.778 1.00 15.22 H new ATOM 947 N GLY A 60 0.942 -10.400 0.423 1.00 41.44 N ATOM 948 CA GLY A 60 1.288 -11.442 1.401 1.00 33.01 C ATOM 949 C GLY A 60 2.765 -11.458 1.743 1.00 25.14 C ATOM 950 O GLY A 60 3.352 -12.520 1.984 1.00 54.53 O ATOM 0 H GLY A 60 0.226 -9.754 0.755 1.00 41.44 H new ATOM 0 HA2 GLY A 60 0.710 -11.285 2.312 1.00 33.01 H new ATOM 0 HA3 GLY A 60 1.001 -12.416 1.005 1.00 33.01 H new ATOM 954 N ALA A 61 3.354 -10.260 1.753 1.00 25.55 N ATOM 955 CA ALA A 61 4.795 -10.066 1.880 1.00 10.41 C ATOM 956 C ALA A 61 5.247 -10.197 3.344 1.00 21.23 C ATOM 957 O ALA A 61 4.416 -10.202 4.266 1.00 74.20 O ATOM 958 CB ALA A 61 5.163 -8.707 1.282 1.00 53.34 C ATOM 0 H ALA A 61 2.833 -9.387 1.672 1.00 25.55 H new ATOM 0 HA ALA A 61 5.321 -10.845 1.329 1.00 10.41 H new ATOM 0 HB1 ALA A 61 6.238 -8.550 1.371 1.00 53.34 H new ATOM 0 HB2 ALA A 61 4.878 -8.683 0.230 1.00 53.34 H new ATOM 0 HB3 ALA A 61 4.635 -7.918 1.819 1.00 53.34 H new ATOM 964 N SER A 62 6.569 -10.299 3.542 1.00 51.22 N ATOM 965 CA SER A 62 7.174 -10.567 4.858 1.00 42.14 C ATOM 966 C SER A 62 7.348 -9.262 5.652 1.00 2.02 C ATOM 967 O SER A 62 7.354 -8.168 5.080 1.00 33.10 O ATOM 968 CB SER A 62 8.533 -11.282 4.664 1.00 32.31 C ATOM 969 OG SER A 62 9.422 -10.501 3.882 1.00 21.53 O ATOM 0 H SER A 62 7.253 -10.198 2.792 1.00 51.22 H new ATOM 0 HA SER A 62 6.512 -11.216 5.431 1.00 42.14 H new ATOM 0 HB2 SER A 62 8.982 -11.483 5.637 1.00 32.31 H new ATOM 0 HB3 SER A 62 8.373 -12.246 4.182 1.00 32.31 H new ATOM 0 HG SER A 62 8.956 -9.702 3.557 1.00 21.53 H new ATOM 975 N GLN A 63 7.522 -9.405 6.976 1.00 25.25 N ATOM 976 CA GLN A 63 7.748 -8.277 7.899 1.00 32.31 C ATOM 977 C GLN A 63 9.093 -7.573 7.591 1.00 0.22 C ATOM 978 O GLN A 63 9.288 -6.426 7.959 1.00 31.23 O ATOM 979 CB GLN A 63 7.690 -8.786 9.373 1.00 1.51 C ATOM 980 CG GLN A 63 7.732 -7.681 10.458 1.00 53.41 C ATOM 981 CD GLN A 63 6.576 -6.674 10.364 1.00 70.34 C ATOM 982 OE1 GLN A 63 5.466 -6.998 9.940 1.00 75.12 O ATOM 983 NE2 GLN A 63 6.827 -5.445 10.774 1.00 61.44 N ATOM 0 H GLN A 63 7.510 -10.313 7.441 1.00 25.25 H new ATOM 0 HA GLN A 63 6.960 -7.537 7.760 1.00 32.31 H new ATOM 0 HB2 GLN A 63 6.776 -9.366 9.504 1.00 1.51 H new ATOM 0 HB3 GLN A 63 8.526 -9.466 9.538 1.00 1.51 H new ATOM 0 HG2 GLN A 63 7.713 -8.150 11.442 1.00 53.41 H new ATOM 0 HG3 GLN A 63 8.677 -7.143 10.379 1.00 53.41 H new ATOM 0 HE21 GLN A 63 7.755 -5.203 11.121 1.00 61.44 H new ATOM 0 HE22 GLN A 63 6.093 -4.737 10.744 1.00 61.44 H new ATOM 992 N ASN A 64 9.994 -8.293 6.890 1.00 31.20 N ATOM 993 CA ASN A 64 11.293 -7.778 6.414 1.00 21.53 C ATOM 994 C ASN A 64 11.106 -6.510 5.556 1.00 55.32 C ATOM 995 O ASN A 64 11.596 -5.426 5.908 1.00 32.43 O ATOM 996 CB ASN A 64 12.006 -8.894 5.590 1.00 61.34 C ATOM 997 CG ASN A 64 13.362 -8.485 5.008 1.00 43.14 C ATOM 998 OD1 ASN A 64 14.094 -7.676 5.581 1.00 21.30 O ATOM 999 ND2 ASN A 64 13.714 -9.059 3.868 1.00 41.23 N ATOM 0 H ASN A 64 9.835 -9.268 6.635 1.00 31.20 H new ATOM 0 HA ASN A 64 11.906 -7.505 7.273 1.00 21.53 H new ATOM 0 HB2 ASN A 64 12.147 -9.766 6.229 1.00 61.34 H new ATOM 0 HB3 ASN A 64 11.352 -9.200 4.774 1.00 61.34 H new ATOM 0 HD21 ASN A 64 14.613 -8.835 3.441 1.00 41.23 H new ATOM 0 HD22 ASN A 64 13.087 -9.725 3.417 1.00 41.23 H new ATOM 1006 N ASP A 65 10.346 -6.660 4.458 1.00 52.40 N ATOM 1007 CA ASP A 65 10.110 -5.581 3.485 1.00 32.12 C ATOM 1008 C ASP A 65 9.120 -4.539 4.035 1.00 10.43 C ATOM 1009 O ASP A 65 9.215 -3.355 3.713 1.00 55.02 O ATOM 1010 CB ASP A 65 9.620 -6.166 2.140 1.00 55.21 C ATOM 1011 CG ASP A 65 8.301 -6.943 2.224 1.00 43.35 C ATOM 1012 OD1 ASP A 65 7.215 -6.314 2.206 1.00 13.15 O ATOM 1013 OD2 ASP A 65 8.349 -8.196 2.304 1.00 2.15 O ATOM 0 H ASP A 65 9.878 -7.534 4.220 1.00 52.40 H new ATOM 0 HA ASP A 65 11.055 -5.068 3.309 1.00 32.12 H new ATOM 0 HB2 ASP A 65 9.501 -5.351 1.426 1.00 55.21 H new ATOM 0 HB3 ASP A 65 10.391 -6.827 1.744 1.00 55.21 H new ATOM 1018 N VAL A 66 8.165 -5.008 4.864 1.00 71.34 N ATOM 1019 CA VAL A 66 7.223 -4.140 5.593 1.00 51.53 C ATOM 1020 C VAL A 66 7.985 -3.189 6.541 1.00 23.23 C ATOM 1021 O VAL A 66 7.630 -2.011 6.661 1.00 20.23 O ATOM 1022 CB VAL A 66 6.165 -5.008 6.387 1.00 3.55 C ATOM 1023 CG1 VAL A 66 5.315 -4.167 7.369 1.00 51.13 C ATOM 1024 CG2 VAL A 66 5.249 -5.775 5.401 1.00 0.03 C ATOM 0 H VAL A 66 8.027 -6.002 5.046 1.00 71.34 H new ATOM 0 HA VAL A 66 6.682 -3.532 4.868 1.00 51.53 H new ATOM 0 HB VAL A 66 6.729 -5.721 6.989 1.00 3.55 H new ATOM 0 HG11 VAL A 66 4.607 -4.816 7.885 1.00 51.13 H new ATOM 0 HG12 VAL A 66 5.969 -3.690 8.099 1.00 51.13 H new ATOM 0 HG13 VAL A 66 4.770 -3.403 6.816 1.00 51.13 H new ATOM 0 HG21 VAL A 66 4.526 -6.368 5.962 1.00 0.03 H new ATOM 0 HG22 VAL A 66 4.720 -5.063 4.767 1.00 0.03 H new ATOM 0 HG23 VAL A 66 5.855 -6.434 4.780 1.00 0.03 H new ATOM 1034 N ASN A 67 9.052 -3.704 7.185 1.00 22.51 N ATOM 1035 CA ASN A 67 9.928 -2.888 8.057 1.00 74.34 C ATOM 1036 C ASN A 67 10.690 -1.858 7.233 1.00 33.31 C ATOM 1037 O ASN A 67 10.735 -0.702 7.620 1.00 32.45 O ATOM 1038 CB ASN A 67 10.927 -3.754 8.886 1.00 24.01 C ATOM 1039 CG ASN A 67 10.267 -4.441 10.084 1.00 50.20 C ATOM 1040 OD1 ASN A 67 9.320 -3.918 10.677 1.00 20.24 O ATOM 1041 ND2 ASN A 67 10.763 -5.611 10.449 1.00 12.02 N ATOM 0 H ASN A 67 9.330 -4.683 7.119 1.00 22.51 H new ATOM 0 HA ASN A 67 9.277 -2.378 8.767 1.00 74.34 H new ATOM 0 HB2 ASN A 67 11.369 -4.511 8.238 1.00 24.01 H new ATOM 0 HB3 ASN A 67 11.742 -3.122 9.239 1.00 24.01 H new ATOM 0 HD21 ASN A 67 10.362 -6.110 11.243 1.00 12.02 H new ATOM 0 HD22 ASN A 67 11.547 -6.015 9.936 1.00 12.02 H new ATOM 1048 N GLU A 68 11.255 -2.291 6.085 1.00 54.22 N ATOM 1049 CA GLU A 68 11.961 -1.392 5.141 1.00 31.54 C ATOM 1050 C GLU A 68 11.046 -0.245 4.684 1.00 73.01 C ATOM 1051 O GLU A 68 11.490 0.896 4.548 1.00 53.12 O ATOM 1052 CB GLU A 68 12.482 -2.174 3.903 1.00 64.31 C ATOM 1053 CG GLU A 68 13.530 -3.245 4.230 1.00 53.31 C ATOM 1054 CD GLU A 68 14.070 -3.959 2.981 1.00 52.51 C ATOM 1055 OE1 GLU A 68 13.407 -4.890 2.490 1.00 54.32 O ATOM 1056 OE2 GLU A 68 15.171 -3.598 2.490 1.00 61.11 O ATOM 0 H GLU A 68 11.236 -3.266 5.786 1.00 54.22 H new ATOM 0 HA GLU A 68 12.815 -0.971 5.671 1.00 31.54 H new ATOM 0 HB2 GLU A 68 11.637 -2.649 3.406 1.00 64.31 H new ATOM 0 HB3 GLU A 68 12.912 -1.466 3.195 1.00 64.31 H new ATOM 0 HG2 GLU A 68 14.360 -2.782 4.764 1.00 53.31 H new ATOM 0 HG3 GLU A 68 13.090 -3.982 4.902 1.00 53.31 H new ATOM 1063 N PHE A 69 9.751 -0.565 4.491 1.00 53.44 N ATOM 1064 CA PHE A 69 8.751 0.422 4.083 1.00 14.32 C ATOM 1065 C PHE A 69 8.570 1.481 5.176 1.00 2.52 C ATOM 1066 O PHE A 69 8.644 2.675 4.905 1.00 51.42 O ATOM 1067 CB PHE A 69 7.392 -0.241 3.741 1.00 53.42 C ATOM 1068 CG PHE A 69 6.453 0.688 2.977 1.00 53.11 C ATOM 1069 CD1 PHE A 69 6.487 0.734 1.584 1.00 14.54 C ATOM 1070 CD2 PHE A 69 5.552 1.524 3.641 1.00 3.15 C ATOM 1071 CE1 PHE A 69 5.655 1.570 0.883 1.00 32.02 C ATOM 1072 CE2 PHE A 69 4.718 2.362 2.934 1.00 35.51 C ATOM 1073 CZ PHE A 69 4.769 2.382 1.555 1.00 53.52 C ATOM 0 H PHE A 69 9.379 -1.507 4.614 1.00 53.44 H new ATOM 0 HA PHE A 69 9.117 0.905 3.177 1.00 14.32 H new ATOM 0 HB2 PHE A 69 7.570 -1.138 3.147 1.00 53.42 H new ATOM 0 HB3 PHE A 69 6.907 -0.561 4.663 1.00 53.42 H new ATOM 0 HD1 PHE A 69 7.179 0.102 1.048 1.00 14.54 H new ATOM 0 HD2 PHE A 69 5.509 1.513 4.720 1.00 3.15 H new ATOM 0 HE1 PHE A 69 5.695 1.591 -0.196 1.00 32.02 H new ATOM 0 HE2 PHE A 69 4.025 3.003 3.458 1.00 35.51 H new ATOM 0 HZ PHE A 69 4.112 3.036 1.001 1.00 53.52 H new ATOM 1083 N GLN A 70 8.359 1.007 6.411 1.00 42.54 N ATOM 1084 CA GLN A 70 8.105 1.870 7.572 1.00 1.03 C ATOM 1085 C GLN A 70 9.343 2.727 7.919 1.00 60.03 C ATOM 1086 O GLN A 70 9.208 3.921 8.218 1.00 71.22 O ATOM 1087 CB GLN A 70 7.667 0.993 8.775 1.00 75.42 C ATOM 1088 CG GLN A 70 6.354 0.216 8.538 1.00 10.21 C ATOM 1089 CD GLN A 70 6.012 -0.753 9.670 1.00 4.24 C ATOM 1090 OE1 GLN A 70 6.525 -1.975 9.595 1.00 22.12 O flip ATOM 1091 NE2 GLN A 70 5.314 -0.400 10.618 1.00 55.11 N flip ATOM 0 H GLN A 70 8.360 0.012 6.634 1.00 42.54 H new ATOM 0 HA GLN A 70 7.301 2.565 7.329 1.00 1.03 H new ATOM 0 HB2 GLN A 70 8.462 0.283 9.003 1.00 75.42 H new ATOM 0 HB3 GLN A 70 7.548 1.630 9.652 1.00 75.42 H new ATOM 0 HG2 GLN A 70 5.536 0.926 8.418 1.00 10.21 H new ATOM 0 HG3 GLN A 70 6.433 -0.340 7.604 1.00 10.21 H new ATOM 0 HE21 GLN A 70 4.934 0.546 10.647 1.00 55.11 H new ATOM 0 HE22 GLN A 70 5.115 -1.053 11.376 1.00 55.11 H new ATOM 1100 N ASN A 71 10.539 2.107 7.809 1.00 65.02 N ATOM 1101 CA ASN A 71 11.833 2.734 8.147 1.00 20.41 C ATOM 1102 C ASN A 71 12.142 3.853 7.156 1.00 10.43 C ATOM 1103 O ASN A 71 12.223 5.008 7.552 1.00 23.03 O ATOM 1104 CB ASN A 71 12.994 1.691 8.148 1.00 44.30 C ATOM 1105 CG ASN A 71 12.912 0.645 9.268 1.00 3.34 C ATOM 1106 OD1 ASN A 71 12.429 0.916 10.368 1.00 63.13 O ATOM 1107 ND2 ASN A 71 13.381 -0.566 8.984 1.00 51.14 N ATOM 0 H ASN A 71 10.632 1.146 7.479 1.00 65.02 H new ATOM 0 HA ASN A 71 11.752 3.146 9.153 1.00 20.41 H new ATOM 0 HB2 ASN A 71 13.003 1.176 7.188 1.00 44.30 H new ATOM 0 HB3 ASN A 71 13.942 2.222 8.233 1.00 44.30 H new ATOM 0 HD21 ASN A 71 13.347 -1.304 9.687 1.00 51.14 H new ATOM 0 HD22 ASN A 71 13.775 -0.757 8.063 1.00 51.14 H new ATOM 1114 N GLU A 72 12.240 3.500 5.863 1.00 33.31 N ATOM 1115 CA GLU A 72 12.587 4.455 4.794 1.00 13.02 C ATOM 1116 C GLU A 72 11.537 5.575 4.663 1.00 25.21 C ATOM 1117 O GLU A 72 11.896 6.709 4.359 1.00 5.24 O ATOM 1118 CB GLU A 72 12.776 3.719 3.434 1.00 54.54 C ATOM 1119 CG GLU A 72 14.162 3.067 3.201 1.00 41.32 C ATOM 1120 CD GLU A 72 14.550 1.945 4.187 1.00 14.32 C ATOM 1121 OE1 GLU A 72 15.011 2.257 5.309 1.00 34.01 O ATOM 1122 OE2 GLU A 72 14.457 0.753 3.826 1.00 51.30 O ATOM 0 H GLU A 72 12.082 2.549 5.529 1.00 33.31 H new ATOM 0 HA GLU A 72 13.532 4.922 5.071 1.00 13.02 H new ATOM 0 HB2 GLU A 72 12.014 2.944 3.354 1.00 54.54 H new ATOM 0 HB3 GLU A 72 12.592 4.431 2.630 1.00 54.54 H new ATOM 0 HG2 GLU A 72 14.186 2.661 2.190 1.00 41.32 H new ATOM 0 HG3 GLU A 72 14.922 3.847 3.250 1.00 41.32 H new ATOM 1129 N ALA A 73 10.256 5.264 4.910 1.00 1.11 N ATOM 1130 CA ALA A 73 9.182 6.264 4.810 1.00 21.11 C ATOM 1131 C ALA A 73 9.322 7.352 5.902 1.00 43.20 C ATOM 1132 O ALA A 73 9.298 8.538 5.591 1.00 51.12 O ATOM 1133 CB ALA A 73 7.804 5.595 4.844 1.00 34.03 C ATOM 0 H ALA A 73 9.939 4.333 5.179 1.00 1.11 H new ATOM 0 HA ALA A 73 9.277 6.765 3.847 1.00 21.11 H new ATOM 0 HB1 ALA A 73 7.028 6.357 4.769 1.00 34.03 H new ATOM 0 HB2 ALA A 73 7.715 4.902 4.007 1.00 34.03 H new ATOM 0 HB3 ALA A 73 7.687 5.050 5.781 1.00 34.03 H new ATOM 1139 N LYS A 74 9.519 6.946 7.174 1.00 31.25 N ATOM 1140 CA LYS A 74 9.697 7.926 8.279 1.00 32.33 C ATOM 1141 C LYS A 74 11.078 8.631 8.184 1.00 54.35 C ATOM 1142 O LYS A 74 11.235 9.776 8.613 1.00 60.42 O ATOM 1143 CB LYS A 74 9.454 7.251 9.672 1.00 60.24 C ATOM 1144 CG LYS A 74 10.443 6.127 10.101 1.00 54.41 C ATOM 1145 CD LYS A 74 11.739 6.651 10.774 1.00 2.33 C ATOM 1146 CE LYS A 74 12.752 5.537 11.076 1.00 1.25 C ATOM 1147 NZ LYS A 74 14.022 6.066 11.652 1.00 4.33 N ATOM 0 H LYS A 74 9.559 5.969 7.463 1.00 31.25 H new ATOM 0 HA LYS A 74 8.943 8.706 8.175 1.00 32.33 H new ATOM 0 HB2 LYS A 74 9.478 8.030 10.434 1.00 60.24 H new ATOM 0 HB3 LYS A 74 8.447 6.834 9.674 1.00 60.24 H new ATOM 0 HG2 LYS A 74 9.934 5.453 10.791 1.00 54.41 H new ATOM 0 HG3 LYS A 74 10.713 5.540 9.223 1.00 54.41 H new ATOM 0 HD2 LYS A 74 12.205 7.392 10.124 1.00 2.33 H new ATOM 0 HD3 LYS A 74 11.479 7.160 11.702 1.00 2.33 H new ATOM 0 HE2 LYS A 74 12.309 4.825 11.773 1.00 1.25 H new ATOM 0 HE3 LYS A 74 12.972 4.991 10.159 1.00 1.25 H new ATOM 0 HZ1 LYS A 74 14.674 5.277 11.839 1.00 4.33 H new ATOM 0 HZ2 LYS A 74 14.461 6.725 10.978 1.00 4.33 H new ATOM 0 HZ3 LYS A 74 13.818 6.565 12.542 1.00 4.33 H new ATOM 1161 N LYS A 75 12.056 7.923 7.593 1.00 75.22 N ATOM 1162 CA LYS A 75 13.428 8.371 7.409 1.00 23.12 C ATOM 1163 C LYS A 75 13.520 9.524 6.394 1.00 4.33 C ATOM 1164 O LYS A 75 14.226 10.511 6.625 1.00 21.11 O ATOM 1165 CB LYS A 75 14.217 7.137 6.915 1.00 72.22 C ATOM 1166 CG LYS A 75 15.652 7.385 6.502 1.00 34.42 C ATOM 1167 CD LYS A 75 16.333 6.125 5.912 1.00 61.30 C ATOM 1168 CE LYS A 75 16.452 4.963 6.918 1.00 60.04 C ATOM 1169 NZ LYS A 75 17.144 3.780 6.323 1.00 70.23 N ATOM 0 H LYS A 75 11.896 6.988 7.219 1.00 75.22 H new ATOM 0 HA LYS A 75 13.836 8.761 8.341 1.00 23.12 H new ATOM 0 HB2 LYS A 75 14.213 6.388 7.707 1.00 72.22 H new ATOM 0 HB3 LYS A 75 13.685 6.707 6.066 1.00 72.22 H new ATOM 0 HG2 LYS A 75 15.680 8.187 5.764 1.00 34.42 H new ATOM 0 HG3 LYS A 75 16.220 7.728 7.367 1.00 34.42 H new ATOM 0 HD2 LYS A 75 15.766 5.788 5.045 1.00 61.30 H new ATOM 0 HD3 LYS A 75 17.329 6.392 5.558 1.00 61.30 H new ATOM 0 HE2 LYS A 75 17.000 5.299 7.798 1.00 60.04 H new ATOM 0 HE3 LYS A 75 15.457 4.671 7.254 1.00 60.04 H new ATOM 0 HZ1 LYS A 75 17.757 3.340 7.039 1.00 70.23 H new ATOM 0 HZ2 LYS A 75 16.436 3.089 6.001 1.00 70.23 H new ATOM 0 HZ3 LYS A 75 17.722 4.086 5.514 1.00 70.23 H new ATOM 1183 N GLU A 76 12.795 9.381 5.281 1.00 31.32 N ATOM 1184 CA GLU A 76 12.838 10.338 4.160 1.00 4.14 C ATOM 1185 C GLU A 76 11.722 11.394 4.274 1.00 60.42 C ATOM 1186 O GLU A 76 11.664 12.320 3.461 1.00 61.30 O ATOM 1187 CB GLU A 76 12.727 9.556 2.830 1.00 4.00 C ATOM 1188 CG GLU A 76 13.806 8.468 2.633 1.00 61.42 C ATOM 1189 CD GLU A 76 15.242 9.015 2.555 1.00 72.21 C ATOM 1190 OE1 GLU A 76 15.684 9.393 1.451 1.00 71.33 O ATOM 1191 OE2 GLU A 76 15.940 9.050 3.587 1.00 14.25 O ATOM 0 H GLU A 76 12.159 8.599 5.127 1.00 31.32 H new ATOM 0 HA GLU A 76 13.785 10.876 4.189 1.00 4.14 H new ATOM 0 HB2 GLU A 76 11.744 9.088 2.780 1.00 4.00 H new ATOM 0 HB3 GLU A 76 12.786 10.262 2.002 1.00 4.00 H new ATOM 0 HG2 GLU A 76 13.744 7.756 3.456 1.00 61.42 H new ATOM 0 HG3 GLU A 76 13.588 7.917 1.718 1.00 61.42 H new ATOM 1198 N GLY A 77 10.840 11.242 5.284 1.00 50.04 N ATOM 1199 CA GLY A 77 9.718 12.164 5.498 1.00 45.20 C ATOM 1200 C GLY A 77 8.547 11.927 4.546 1.00 43.12 C ATOM 1201 O GLY A 77 7.758 12.839 4.273 1.00 63.51 O ATOM 0 H GLY A 77 10.889 10.484 5.964 1.00 50.04 H new ATOM 0 HA2 GLY A 77 9.367 12.065 6.525 1.00 45.20 H new ATOM 0 HA3 GLY A 77 10.071 13.188 5.379 1.00 45.20 H new ATOM 1205 N VAL A 78 8.459 10.691 4.041 1.00 34.32 N ATOM 1206 CA VAL A 78 7.341 10.216 3.211 1.00 22.41 C ATOM 1207 C VAL A 78 6.181 9.781 4.130 1.00 74.42 C ATOM 1208 O VAL A 78 6.345 8.844 4.924 1.00 64.45 O ATOM 1209 CB VAL A 78 7.795 9.000 2.310 1.00 33.23 C ATOM 1210 CG1 VAL A 78 6.645 8.471 1.428 1.00 52.03 C ATOM 1211 CG2 VAL A 78 9.024 9.376 1.451 1.00 65.53 C ATOM 0 H VAL A 78 9.173 9.980 4.199 1.00 34.32 H new ATOM 0 HA VAL A 78 7.014 11.024 2.557 1.00 22.41 H new ATOM 0 HB VAL A 78 8.082 8.191 2.982 1.00 33.23 H new ATOM 0 HG11 VAL A 78 7.003 7.636 0.826 1.00 52.03 H new ATOM 0 HG12 VAL A 78 5.825 8.136 2.062 1.00 52.03 H new ATOM 0 HG13 VAL A 78 6.294 9.267 0.772 1.00 52.03 H new ATOM 0 HG21 VAL A 78 9.316 8.522 0.840 1.00 65.53 H new ATOM 0 HG22 VAL A 78 8.772 10.216 0.803 1.00 65.53 H new ATOM 0 HG23 VAL A 78 9.852 9.656 2.103 1.00 65.53 H new ATOM 1221 N SER A 79 5.033 10.484 4.036 1.00 23.53 N ATOM 1222 CA SER A 79 3.829 10.166 4.828 1.00 70.22 C ATOM 1223 C SER A 79 3.294 8.768 4.442 1.00 25.11 C ATOM 1224 O SER A 79 3.145 8.472 3.257 1.00 5.44 O ATOM 1225 CB SER A 79 2.743 11.253 4.613 1.00 45.05 C ATOM 1226 OG SER A 79 3.217 12.541 4.980 1.00 71.51 O ATOM 0 H SER A 79 4.916 11.283 3.413 1.00 23.53 H new ATOM 0 HA SER A 79 4.092 10.153 5.886 1.00 70.22 H new ATOM 0 HB2 SER A 79 2.437 11.261 3.567 1.00 45.05 H new ATOM 0 HB3 SER A 79 1.859 11.008 5.202 1.00 45.05 H new ATOM 0 HG SER A 79 2.511 13.204 4.832 1.00 71.51 H new ATOM 1232 N TYR A 80 3.045 7.913 5.450 1.00 75.43 N ATOM 1233 CA TYR A 80 2.593 6.525 5.241 1.00 54.44 C ATOM 1234 C TYR A 80 1.597 6.111 6.329 1.00 15.42 C ATOM 1235 O TYR A 80 1.701 6.549 7.483 1.00 44.33 O ATOM 1236 CB TYR A 80 3.800 5.547 5.203 1.00 62.22 C ATOM 1237 CG TYR A 80 4.572 5.388 6.522 1.00 30.35 C ATOM 1238 CD1 TYR A 80 5.275 6.457 7.079 1.00 52.42 C ATOM 1239 CD2 TYR A 80 4.612 4.164 7.196 1.00 2.04 C ATOM 1240 CE1 TYR A 80 5.984 6.317 8.248 1.00 42.05 C ATOM 1241 CE2 TYR A 80 5.325 4.023 8.368 1.00 53.02 C ATOM 1242 CZ TYR A 80 6.011 5.100 8.887 1.00 12.22 C ATOM 1243 OH TYR A 80 6.735 4.962 10.048 1.00 55.10 O ATOM 0 H TYR A 80 3.151 8.165 6.433 1.00 75.43 H new ATOM 0 HA TYR A 80 2.088 6.476 4.276 1.00 54.44 H new ATOM 0 HB2 TYR A 80 3.439 4.566 4.894 1.00 62.22 H new ATOM 0 HB3 TYR A 80 4.495 5.887 4.435 1.00 62.22 H new ATOM 0 HD1 TYR A 80 5.262 7.415 6.581 1.00 52.42 H new ATOM 0 HD2 TYR A 80 4.077 3.317 6.793 1.00 2.04 H new ATOM 0 HE1 TYR A 80 6.518 7.159 8.663 1.00 42.05 H new ATOM 0 HE2 TYR A 80 5.346 3.071 8.878 1.00 53.02 H new ATOM 0 HH TYR A 80 7.621 4.598 9.840 1.00 55.10 H new ATOM 1253 N ASP A 81 0.626 5.276 5.938 1.00 71.12 N ATOM 1254 CA ASP A 81 -0.412 4.737 6.839 1.00 1.43 C ATOM 1255 C ASP A 81 -0.460 3.218 6.678 1.00 45.04 C ATOM 1256 O ASP A 81 -0.708 2.724 5.575 1.00 31.31 O ATOM 1257 CB ASP A 81 -1.802 5.350 6.494 1.00 34.22 C ATOM 1258 CG ASP A 81 -1.874 6.875 6.698 1.00 43.51 C ATOM 1259 OD1 ASP A 81 -1.284 7.614 5.887 1.00 13.32 O ATOM 1260 OD2 ASP A 81 -2.523 7.339 7.670 1.00 22.24 O ATOM 0 H ASP A 81 0.534 4.949 4.976 1.00 71.12 H new ATOM 0 HA ASP A 81 -0.169 4.996 7.870 1.00 1.43 H new ATOM 0 HB2 ASP A 81 -2.044 5.119 5.456 1.00 34.22 H new ATOM 0 HB3 ASP A 81 -2.563 4.873 7.112 1.00 34.22 H new ATOM 1265 N VAL A 82 -0.232 2.479 7.776 1.00 14.31 N ATOM 1266 CA VAL A 82 -0.238 1.008 7.762 1.00 24.40 C ATOM 1267 C VAL A 82 -1.678 0.503 7.955 1.00 22.31 C ATOM 1268 O VAL A 82 -2.230 0.556 9.062 1.00 52.53 O ATOM 1269 CB VAL A 82 0.727 0.392 8.854 1.00 70.35 C ATOM 1270 CG1 VAL A 82 0.725 -1.163 8.808 1.00 32.02 C ATOM 1271 CG2 VAL A 82 2.163 0.955 8.685 1.00 2.21 C ATOM 0 H VAL A 82 -0.039 2.882 8.693 1.00 14.31 H new ATOM 0 HA VAL A 82 0.140 0.677 6.795 1.00 24.40 H new ATOM 0 HB VAL A 82 0.355 0.685 9.836 1.00 70.35 H new ATOM 0 HG11 VAL A 82 1.399 -1.550 9.572 1.00 32.02 H new ATOM 0 HG12 VAL A 82 -0.284 -1.531 8.994 1.00 32.02 H new ATOM 0 HG13 VAL A 82 1.059 -1.498 7.826 1.00 32.02 H new ATOM 0 HG21 VAL A 82 2.815 0.522 9.443 1.00 2.21 H new ATOM 0 HG22 VAL A 82 2.539 0.700 7.694 1.00 2.21 H new ATOM 0 HG23 VAL A 82 2.145 2.039 8.798 1.00 2.21 H new ATOM 1281 N LEU A 83 -2.291 0.080 6.850 1.00 44.51 N ATOM 1282 CA LEU A 83 -3.615 -0.545 6.838 1.00 30.51 C ATOM 1283 C LEU A 83 -3.453 -2.065 6.978 1.00 63.55 C ATOM 1284 O LEU A 83 -3.046 -2.736 6.035 1.00 5.44 O ATOM 1285 CB LEU A 83 -4.349 -0.185 5.522 1.00 65.14 C ATOM 1286 CG LEU A 83 -5.750 -0.833 5.306 1.00 31.21 C ATOM 1287 CD1 LEU A 83 -6.727 -0.450 6.434 1.00 52.42 C ATOM 1288 CD2 LEU A 83 -6.308 -0.463 3.915 1.00 75.22 C ATOM 0 H LEU A 83 -1.875 0.163 5.922 1.00 44.51 H new ATOM 0 HA LEU A 83 -4.212 -0.177 7.673 1.00 30.51 H new ATOM 0 HB2 LEU A 83 -4.464 0.898 5.481 1.00 65.14 H new ATOM 0 HB3 LEU A 83 -3.709 -0.469 4.686 1.00 65.14 H new ATOM 0 HG LEU A 83 -5.634 -1.916 5.342 1.00 31.21 H new ATOM 0 HD11 LEU A 83 -7.694 -0.919 6.252 1.00 52.42 H new ATOM 0 HD12 LEU A 83 -6.331 -0.793 7.390 1.00 52.42 H new ATOM 0 HD13 LEU A 83 -6.848 0.633 6.459 1.00 52.42 H new ATOM 0 HD21 LEU A 83 -7.287 -0.924 3.781 1.00 75.22 H new ATOM 0 HD22 LEU A 83 -6.403 0.620 3.838 1.00 75.22 H new ATOM 0 HD23 LEU A 83 -5.629 -0.824 3.143 1.00 75.22 H new ATOM 1300 N LYS A 84 -3.740 -2.601 8.170 1.00 65.23 N ATOM 1301 CA LYS A 84 -3.661 -4.046 8.435 1.00 50.32 C ATOM 1302 C LYS A 84 -5.090 -4.616 8.516 1.00 4.34 C ATOM 1303 O LYS A 84 -5.759 -4.464 9.548 1.00 30.21 O ATOM 1304 CB LYS A 84 -2.888 -4.300 9.760 1.00 74.34 C ATOM 1305 CG LYS A 84 -2.476 -5.771 10.009 1.00 23.53 C ATOM 1306 CD LYS A 84 -1.286 -6.216 9.137 1.00 11.35 C ATOM 1307 CE LYS A 84 0.032 -5.514 9.523 1.00 71.55 C ATOM 1308 NZ LYS A 84 0.436 -5.785 10.932 1.00 52.45 N ATOM 0 H LYS A 84 -4.033 -2.049 8.977 1.00 65.23 H new ATOM 0 HA LYS A 84 -3.123 -4.545 7.629 1.00 50.32 H new ATOM 0 HB2 LYS A 84 -1.990 -3.682 9.763 1.00 74.34 H new ATOM 0 HB3 LYS A 84 -3.507 -3.966 10.593 1.00 74.34 H new ATOM 0 HG2 LYS A 84 -2.217 -5.898 11.060 1.00 23.53 H new ATOM 0 HG3 LYS A 84 -3.329 -6.420 9.810 1.00 23.53 H new ATOM 0 HD2 LYS A 84 -1.158 -7.295 9.228 1.00 11.35 H new ATOM 0 HD3 LYS A 84 -1.510 -6.008 8.091 1.00 11.35 H new ATOM 0 HE2 LYS A 84 0.825 -5.844 8.852 1.00 71.55 H new ATOM 0 HE3 LYS A 84 -0.079 -4.439 9.381 1.00 71.55 H new ATOM 0 HZ1 LYS A 84 1.415 -5.466 11.080 1.00 52.45 H new ATOM 0 HZ2 LYS A 84 -0.197 -5.273 11.579 1.00 52.45 H new ATOM 0 HZ3 LYS A 84 0.372 -6.806 11.121 1.00 52.45 H new ATOM 1322 N SER A 85 -5.555 -5.246 7.427 1.00 33.23 N ATOM 1323 CA SER A 85 -6.923 -5.794 7.334 1.00 51.11 C ATOM 1324 C SER A 85 -6.958 -6.911 6.288 1.00 51.34 C ATOM 1325 O SER A 85 -6.373 -6.771 5.207 1.00 14.23 O ATOM 1326 CB SER A 85 -7.943 -4.682 6.959 1.00 72.31 C ATOM 1327 OG SER A 85 -8.047 -3.686 7.964 1.00 5.12 O ATOM 0 H SER A 85 -4.997 -5.392 6.586 1.00 33.23 H new ATOM 0 HA SER A 85 -7.203 -6.197 8.307 1.00 51.11 H new ATOM 0 HB2 SER A 85 -7.642 -4.218 6.020 1.00 72.31 H new ATOM 0 HB3 SER A 85 -8.922 -5.131 6.793 1.00 72.31 H new ATOM 0 HG SER A 85 -8.913 -3.766 8.415 1.00 5.12 H new ATOM 1333 N THR A 86 -7.630 -8.027 6.616 1.00 41.55 N ATOM 1334 CA THR A 86 -7.800 -9.166 5.702 1.00 5.54 C ATOM 1335 C THR A 86 -9.200 -9.164 5.050 1.00 21.13 C ATOM 1336 O THR A 86 -9.440 -9.912 4.100 1.00 33.42 O ATOM 1337 CB THR A 86 -7.537 -10.516 6.453 1.00 34.12 C ATOM 1338 OG1 THR A 86 -8.375 -10.606 7.617 1.00 15.44 O ATOM 1339 CG2 THR A 86 -6.058 -10.654 6.881 1.00 64.43 C ATOM 0 H THR A 86 -8.071 -8.164 7.525 1.00 41.55 H new ATOM 0 HA THR A 86 -7.066 -9.065 4.902 1.00 5.54 H new ATOM 0 HB THR A 86 -7.772 -11.325 5.761 1.00 34.12 H new ATOM 0 HG1 THR A 86 -8.204 -11.454 8.078 1.00 15.44 H new ATOM 0 HG21 THR A 86 -5.916 -11.603 7.398 1.00 64.43 H new ATOM 0 HG22 THR A 86 -5.419 -10.623 5.998 1.00 64.43 H new ATOM 0 HG23 THR A 86 -5.794 -9.834 7.549 1.00 64.43 H new ATOM 1347 N ASP A 87 -10.110 -8.307 5.564 1.00 53.32 N ATOM 1348 CA ASP A 87 -11.495 -8.179 5.059 1.00 52.10 C ATOM 1349 C ASP A 87 -11.501 -7.370 3.746 1.00 3.15 C ATOM 1350 O ASP A 87 -11.067 -6.218 3.750 1.00 51.25 O ATOM 1351 CB ASP A 87 -12.393 -7.481 6.115 1.00 73.51 C ATOM 1352 CG ASP A 87 -12.484 -8.269 7.421 1.00 54.23 C ATOM 1353 OD1 ASP A 87 -11.516 -8.229 8.213 1.00 13.03 O ATOM 1354 OD2 ASP A 87 -13.506 -8.942 7.663 1.00 44.12 O ATOM 0 H ASP A 87 -9.904 -7.682 6.344 1.00 53.32 H new ATOM 0 HA ASP A 87 -11.892 -9.176 4.868 1.00 52.10 H new ATOM 0 HB2 ASP A 87 -11.998 -6.486 6.322 1.00 73.51 H new ATOM 0 HB3 ASP A 87 -13.394 -7.348 5.705 1.00 73.51 H new ATOM 1359 N PRO A 88 -12.000 -7.952 2.606 1.00 24.25 N ATOM 1360 CA PRO A 88 -11.985 -7.275 1.284 1.00 62.42 C ATOM 1361 C PRO A 88 -12.899 -6.037 1.236 1.00 64.12 C ATOM 1362 O PRO A 88 -12.519 -5.004 0.681 1.00 54.14 O ATOM 1363 CB PRO A 88 -12.455 -8.383 0.303 1.00 12.22 C ATOM 1364 CG PRO A 88 -13.255 -9.325 1.147 1.00 71.44 C ATOM 1365 CD PRO A 88 -12.597 -9.313 2.511 1.00 13.12 C ATOM 0 HA PRO A 88 -11.000 -6.878 1.037 1.00 62.42 H new ATOM 0 HB2 PRO A 88 -13.057 -7.967 -0.505 1.00 12.22 H new ATOM 0 HB3 PRO A 88 -11.607 -8.888 -0.159 1.00 12.22 H new ATOM 0 HG2 PRO A 88 -14.295 -9.006 1.211 1.00 71.44 H new ATOM 0 HG3 PRO A 88 -13.255 -10.328 0.721 1.00 71.44 H new ATOM 0 HD2 PRO A 88 -13.322 -9.488 3.306 1.00 13.12 H new ATOM 0 HD3 PRO A 88 -11.837 -10.090 2.595 1.00 13.12 H new ATOM 1373 N GLU A 89 -14.095 -6.170 1.828 1.00 3.03 N ATOM 1374 CA GLU A 89 -15.081 -5.081 1.938 1.00 64.51 C ATOM 1375 C GLU A 89 -14.487 -3.859 2.679 1.00 20.35 C ATOM 1376 O GLU A 89 -14.660 -2.707 2.251 1.00 4.02 O ATOM 1377 CB GLU A 89 -16.348 -5.621 2.665 1.00 44.44 C ATOM 1378 CG GLU A 89 -16.060 -6.254 4.047 1.00 44.45 C ATOM 1379 CD GLU A 89 -17.307 -6.799 4.763 1.00 43.24 C ATOM 1380 OE1 GLU A 89 -18.054 -6.003 5.372 1.00 2.34 O ATOM 1381 OE2 GLU A 89 -17.532 -8.027 4.736 1.00 21.21 O ATOM 0 H GLU A 89 -14.410 -7.044 2.248 1.00 3.03 H new ATOM 0 HA GLU A 89 -15.356 -4.741 0.939 1.00 64.51 H new ATOM 0 HB2 GLU A 89 -17.057 -4.803 2.792 1.00 44.44 H new ATOM 0 HB3 GLU A 89 -16.829 -6.364 2.030 1.00 44.44 H new ATOM 0 HG2 GLU A 89 -15.344 -7.066 3.920 1.00 44.45 H new ATOM 0 HG3 GLU A 89 -15.586 -5.508 4.684 1.00 44.45 H new ATOM 1388 N GLU A 90 -13.736 -4.153 3.761 1.00 72.55 N ATOM 1389 CA GLU A 90 -13.104 -3.146 4.609 1.00 51.12 C ATOM 1390 C GLU A 90 -11.976 -2.457 3.842 1.00 53.41 C ATOM 1391 O GLU A 90 -11.958 -1.236 3.754 1.00 54.13 O ATOM 1392 CB GLU A 90 -12.583 -3.789 5.921 1.00 11.42 C ATOM 1393 CG GLU A 90 -11.852 -2.811 6.869 1.00 51.24 C ATOM 1394 CD GLU A 90 -11.562 -3.379 8.266 1.00 15.20 C ATOM 1395 OE1 GLU A 90 -10.998 -4.487 8.363 1.00 61.13 O ATOM 1396 OE2 GLU A 90 -11.868 -2.697 9.274 1.00 1.43 O ATOM 0 H GLU A 90 -13.555 -5.110 4.065 1.00 72.55 H new ATOM 0 HA GLU A 90 -13.843 -2.393 4.882 1.00 51.12 H new ATOM 0 HB2 GLU A 90 -13.425 -4.230 6.454 1.00 11.42 H new ATOM 0 HB3 GLU A 90 -11.905 -4.604 5.667 1.00 11.42 H new ATOM 0 HG2 GLU A 90 -10.910 -2.514 6.408 1.00 51.24 H new ATOM 0 HG3 GLU A 90 -12.454 -1.909 6.975 1.00 51.24 H new ATOM 1403 N LEU A 91 -11.086 -3.266 3.232 1.00 32.52 N ATOM 1404 CA LEU A 91 -9.949 -2.762 2.440 1.00 24.21 C ATOM 1405 C LEU A 91 -10.421 -1.802 1.324 1.00 61.54 C ATOM 1406 O LEU A 91 -9.849 -0.728 1.158 1.00 51.22 O ATOM 1407 CB LEU A 91 -9.139 -3.947 1.836 1.00 70.13 C ATOM 1408 CG LEU A 91 -8.286 -4.796 2.828 1.00 23.13 C ATOM 1409 CD1 LEU A 91 -7.625 -5.988 2.110 1.00 72.32 C ATOM 1410 CD2 LEU A 91 -7.231 -3.919 3.519 1.00 73.43 C ATOM 0 H LEU A 91 -11.136 -4.284 3.275 1.00 32.52 H new ATOM 0 HA LEU A 91 -9.299 -2.199 3.109 1.00 24.21 H new ATOM 0 HB2 LEU A 91 -9.838 -4.614 1.333 1.00 70.13 H new ATOM 0 HB3 LEU A 91 -8.473 -3.548 1.071 1.00 70.13 H new ATOM 0 HG LEU A 91 -8.952 -5.196 3.592 1.00 23.13 H new ATOM 0 HD11 LEU A 91 -7.036 -6.563 2.825 1.00 72.32 H new ATOM 0 HD12 LEU A 91 -8.396 -6.626 1.679 1.00 72.32 H new ATOM 0 HD13 LEU A 91 -6.974 -5.620 1.317 1.00 72.32 H new ATOM 0 HD21 LEU A 91 -6.645 -4.528 4.207 1.00 73.43 H new ATOM 0 HD22 LEU A 91 -6.571 -3.484 2.768 1.00 73.43 H new ATOM 0 HD23 LEU A 91 -7.727 -3.121 4.072 1.00 73.43 H new ATOM 1422 N THR A 92 -11.509 -2.189 0.628 1.00 3.33 N ATOM 1423 CA THR A 92 -12.097 -1.399 -0.473 1.00 61.10 C ATOM 1424 C THR A 92 -12.610 -0.029 0.025 1.00 61.40 C ATOM 1425 O THR A 92 -12.341 1.006 -0.614 1.00 0.33 O ATOM 1426 CB THR A 92 -13.245 -2.193 -1.188 1.00 2.43 C ATOM 1427 OG1 THR A 92 -12.708 -3.408 -1.740 1.00 11.04 O ATOM 1428 CG2 THR A 92 -13.929 -1.387 -2.320 1.00 30.31 C ATOM 0 H THR A 92 -12.006 -3.060 0.814 1.00 3.33 H new ATOM 0 HA THR A 92 -11.306 -1.215 -1.200 1.00 61.10 H new ATOM 0 HB THR A 92 -14.004 -2.401 -0.434 1.00 2.43 H new ATOM 0 HG1 THR A 92 -12.582 -4.065 -1.024 1.00 11.04 H new ATOM 0 HG21 THR A 92 -14.714 -1.992 -2.774 1.00 30.31 H new ATOM 0 HG22 THR A 92 -14.365 -0.478 -1.907 1.00 30.31 H new ATOM 0 HG23 THR A 92 -13.190 -1.123 -3.077 1.00 30.31 H new ATOM 1436 N GLN A 93 -13.331 -0.006 1.171 1.00 2.33 N ATOM 1437 CA GLN A 93 -13.815 1.268 1.736 1.00 65.11 C ATOM 1438 C GLN A 93 -12.668 2.064 2.394 1.00 11.33 C ATOM 1439 O GLN A 93 -12.769 3.270 2.531 1.00 21.23 O ATOM 1440 CB GLN A 93 -15.041 1.078 2.691 1.00 14.33 C ATOM 1441 CG GLN A 93 -14.835 0.260 3.991 1.00 20.20 C ATOM 1442 CD GLN A 93 -14.065 0.963 5.126 1.00 1.43 C ATOM 1443 OE1 GLN A 93 -13.412 0.310 5.940 1.00 14.34 O ATOM 1444 NE2 GLN A 93 -14.152 2.286 5.209 1.00 41.01 N ATOM 0 H GLN A 93 -13.584 -0.835 1.709 1.00 2.33 H new ATOM 0 HA GLN A 93 -14.183 1.867 0.903 1.00 65.11 H new ATOM 0 HB2 GLN A 93 -15.400 2.068 2.973 1.00 14.33 H new ATOM 0 HB3 GLN A 93 -15.838 0.601 2.120 1.00 14.33 H new ATOM 0 HG2 GLN A 93 -15.814 -0.031 4.371 1.00 20.20 H new ATOM 0 HG3 GLN A 93 -14.306 -0.659 3.737 1.00 20.20 H new ATOM 0 HE21 GLN A 93 -14.699 2.805 4.522 1.00 41.01 H new ATOM 0 HE22 GLN A 93 -13.672 2.783 5.959 1.00 41.01 H new ATOM 1453 N ARG A 94 -11.577 1.387 2.793 1.00 53.41 N ATOM 1454 CA ARG A 94 -10.389 2.064 3.363 1.00 52.42 C ATOM 1455 C ARG A 94 -9.555 2.734 2.258 1.00 61.23 C ATOM 1456 O ARG A 94 -8.822 3.694 2.533 1.00 62.21 O ATOM 1457 CB ARG A 94 -9.511 1.075 4.169 1.00 12.14 C ATOM 1458 CG ARG A 94 -10.135 0.555 5.484 1.00 3.54 C ATOM 1459 CD ARG A 94 -10.322 1.643 6.553 1.00 45.13 C ATOM 1460 NE ARG A 94 -10.872 1.072 7.795 1.00 52.02 N ATOM 1461 CZ ARG A 94 -10.197 0.896 8.943 1.00 25.21 C ATOM 1462 NH1 ARG A 94 -8.914 1.250 9.051 1.00 72.22 N ATOM 1463 NH2 ARG A 94 -10.806 0.339 9.974 1.00 24.51 N ATOM 0 H ARG A 94 -11.489 0.373 2.733 1.00 53.41 H new ATOM 0 HA ARG A 94 -10.748 2.835 4.044 1.00 52.42 H new ATOM 0 HB2 ARG A 94 -9.279 0.220 3.534 1.00 12.14 H new ATOM 0 HB3 ARG A 94 -8.565 1.563 4.404 1.00 12.14 H new ATOM 0 HG2 ARG A 94 -11.103 0.105 5.263 1.00 3.54 H new ATOM 0 HG3 ARG A 94 -9.502 -0.234 5.889 1.00 3.54 H new ATOM 0 HD2 ARG A 94 -9.365 2.122 6.761 1.00 45.13 H new ATOM 0 HD3 ARG A 94 -10.991 2.417 6.177 1.00 45.13 H new ATOM 0 HE ARG A 94 -11.851 0.785 7.782 1.00 52.02 H new ATOM 0 HH11 ARG A 94 -8.430 1.662 8.253 1.00 72.22 H new ATOM 0 HH12 ARG A 94 -8.418 1.108 9.931 1.00 72.22 H new ATOM 0 HH21 ARG A 94 -11.780 0.047 9.894 1.00 24.51 H new ATOM 0 HH22 ARG A 94 -10.302 0.201 10.850 1.00 24.51 H new ATOM 1477 N VAL A 95 -9.664 2.210 1.010 1.00 3.20 N ATOM 1478 CA VAL A 95 -9.053 2.843 -0.166 1.00 73.02 C ATOM 1479 C VAL A 95 -9.658 4.248 -0.350 1.00 24.51 C ATOM 1480 O VAL A 95 -8.920 5.221 -0.298 1.00 22.21 O ATOM 1481 CB VAL A 95 -9.211 1.981 -1.488 1.00 1.14 C ATOM 1482 CG1 VAL A 95 -8.678 2.736 -2.732 1.00 45.50 C ATOM 1483 CG2 VAL A 95 -8.505 0.607 -1.369 1.00 24.23 C ATOM 0 H VAL A 95 -10.172 1.350 0.802 1.00 3.20 H new ATOM 0 HA VAL A 95 -7.980 2.917 0.014 1.00 73.02 H new ATOM 0 HB VAL A 95 -10.280 1.810 -1.616 1.00 1.14 H new ATOM 0 HG11 VAL A 95 -8.804 2.113 -3.617 1.00 45.50 H new ATOM 0 HG12 VAL A 95 -9.234 3.665 -2.860 1.00 45.50 H new ATOM 0 HG13 VAL A 95 -7.621 2.962 -2.595 1.00 45.50 H new ATOM 0 HG21 VAL A 95 -8.637 0.048 -2.296 1.00 24.23 H new ATOM 0 HG22 VAL A 95 -7.441 0.759 -1.186 1.00 24.23 H new ATOM 0 HG23 VAL A 95 -8.939 0.045 -0.542 1.00 24.23 H new ATOM 1493 N ARG A 96 -11.008 4.344 -0.477 1.00 43.32 N ATOM 1494 CA ARG A 96 -11.693 5.644 -0.694 1.00 11.12 C ATOM 1495 C ARG A 96 -11.429 6.644 0.459 1.00 22.33 C ATOM 1496 O ARG A 96 -11.126 7.802 0.188 1.00 11.51 O ATOM 1497 CB ARG A 96 -13.226 5.485 -0.927 1.00 52.40 C ATOM 1498 CG ARG A 96 -13.972 4.750 0.196 1.00 53.41 C ATOM 1499 CD ARG A 96 -15.493 4.910 0.146 1.00 52.33 C ATOM 1500 NE ARG A 96 -16.108 4.361 -1.072 1.00 75.42 N ATOM 1501 CZ ARG A 96 -17.366 3.886 -1.154 1.00 64.23 C ATOM 1502 NH1 ARG A 96 -18.171 3.863 -0.081 1.00 11.45 N ATOM 1503 NH2 ARG A 96 -17.823 3.466 -2.326 1.00 53.24 N ATOM 0 H ARG A 96 -11.638 3.543 -0.433 1.00 43.32 H new ATOM 0 HA ARG A 96 -11.260 6.052 -1.607 1.00 11.12 H new ATOM 0 HB2 ARG A 96 -13.666 6.475 -1.050 1.00 52.40 H new ATOM 0 HB3 ARG A 96 -13.384 4.948 -1.862 1.00 52.40 H new ATOM 0 HG2 ARG A 96 -13.727 3.689 0.146 1.00 53.41 H new ATOM 0 HG3 ARG A 96 -13.611 5.115 1.157 1.00 53.41 H new ATOM 0 HD2 ARG A 96 -15.929 4.418 1.015 1.00 52.33 H new ATOM 0 HD3 ARG A 96 -15.740 5.969 0.221 1.00 52.33 H new ATOM 0 HE ARG A 96 -15.539 4.338 -1.918 1.00 75.42 H new ATOM 0 HH11 ARG A 96 -17.834 4.209 0.817 1.00 11.45 H new ATOM 0 HH12 ARG A 96 -19.120 3.499 -0.163 1.00 11.45 H new ATOM 0 HH21 ARG A 96 -17.224 3.505 -3.151 1.00 53.24 H new ATOM 0 HH22 ARG A 96 -18.773 3.104 -2.403 1.00 53.24 H new ATOM 1517 N GLU A 97 -11.496 6.174 1.734 1.00 61.14 N ATOM 1518 CA GLU A 97 -11.217 7.027 2.926 1.00 25.23 C ATOM 1519 C GLU A 97 -9.825 7.673 2.801 1.00 41.21 C ATOM 1520 O GLU A 97 -9.652 8.894 3.017 1.00 22.32 O ATOM 1521 CB GLU A 97 -11.279 6.197 4.237 1.00 13.15 C ATOM 1522 CG GLU A 97 -12.651 5.570 4.548 1.00 45.03 C ATOM 1523 CD GLU A 97 -13.775 6.598 4.761 1.00 60.21 C ATOM 1524 OE1 GLU A 97 -13.880 7.149 5.882 1.00 52.03 O ATOM 1525 OE2 GLU A 97 -14.559 6.858 3.816 1.00 23.54 O ATOM 0 H GLU A 97 -11.740 5.211 1.964 1.00 61.14 H new ATOM 0 HA GLU A 97 -11.982 7.803 2.966 1.00 25.23 H new ATOM 0 HB2 GLU A 97 -10.537 5.400 4.180 1.00 13.15 H new ATOM 0 HB3 GLU A 97 -10.993 6.840 5.070 1.00 13.15 H new ATOM 0 HG2 GLU A 97 -12.930 4.907 3.729 1.00 45.03 H new ATOM 0 HG3 GLU A 97 -12.563 4.953 5.442 1.00 45.03 H new ATOM 1532 N PHE A 98 -8.851 6.827 2.406 1.00 5.22 N ATOM 1533 CA PHE A 98 -7.486 7.258 2.142 1.00 44.12 C ATOM 1534 C PHE A 98 -7.455 8.304 1.014 1.00 73.23 C ATOM 1535 O PHE A 98 -6.849 9.331 1.190 1.00 44.12 O ATOM 1536 CB PHE A 98 -6.571 6.056 1.796 1.00 20.12 C ATOM 1537 CG PHE A 98 -5.156 6.464 1.398 1.00 13.21 C ATOM 1538 CD1 PHE A 98 -4.253 6.920 2.358 1.00 3.10 C ATOM 1539 CD2 PHE A 98 -4.740 6.432 0.062 1.00 33.34 C ATOM 1540 CE1 PHE A 98 -2.987 7.326 1.997 1.00 51.13 C ATOM 1541 CE2 PHE A 98 -3.470 6.836 -0.292 1.00 62.21 C ATOM 1542 CZ PHE A 98 -2.599 7.285 0.673 1.00 32.11 C ATOM 0 H PHE A 98 -9.001 5.828 2.265 1.00 5.22 H new ATOM 0 HA PHE A 98 -7.102 7.718 3.052 1.00 44.12 H new ATOM 0 HB2 PHE A 98 -6.520 5.389 2.656 1.00 20.12 H new ATOM 0 HB3 PHE A 98 -7.021 5.490 0.980 1.00 20.12 H new ATOM 0 HD1 PHE A 98 -4.549 6.955 3.396 1.00 3.10 H new ATOM 0 HD2 PHE A 98 -5.422 6.087 -0.701 1.00 33.34 H new ATOM 0 HE1 PHE A 98 -2.297 7.677 2.751 1.00 51.13 H new ATOM 0 HE2 PHE A 98 -3.160 6.800 -1.326 1.00 62.21 H new ATOM 0 HZ PHE A 98 -1.607 7.607 0.394 1.00 32.11 H new ATOM 1552 N LEU A 99 -8.148 8.032 -0.109 1.00 0.31 N ATOM 1553 CA LEU A 99 -8.115 8.899 -1.319 1.00 44.42 C ATOM 1554 C LEU A 99 -8.583 10.340 -1.013 1.00 2.13 C ATOM 1555 O LEU A 99 -8.070 11.304 -1.600 1.00 13.23 O ATOM 1556 CB LEU A 99 -8.979 8.279 -2.453 1.00 20.13 C ATOM 1557 CG LEU A 99 -8.597 6.831 -2.883 1.00 74.44 C ATOM 1558 CD1 LEU A 99 -9.607 6.258 -3.896 1.00 51.32 C ATOM 1559 CD2 LEU A 99 -7.143 6.746 -3.400 1.00 64.25 C ATOM 0 H LEU A 99 -8.745 7.211 -0.210 1.00 0.31 H new ATOM 0 HA LEU A 99 -7.078 8.957 -1.650 1.00 44.42 H new ATOM 0 HB2 LEU A 99 -10.021 8.279 -2.132 1.00 20.13 H new ATOM 0 HB3 LEU A 99 -8.915 8.926 -3.328 1.00 20.13 H new ATOM 0 HG LEU A 99 -8.647 6.205 -1.992 1.00 74.44 H new ATOM 0 HD11 LEU A 99 -9.310 5.247 -4.174 1.00 51.32 H new ATOM 0 HD12 LEU A 99 -10.600 6.234 -3.446 1.00 51.32 H new ATOM 0 HD13 LEU A 99 -9.627 6.888 -4.785 1.00 51.32 H new ATOM 0 HD21 LEU A 99 -6.919 5.719 -3.689 1.00 64.25 H new ATOM 0 HD22 LEU A 99 -7.025 7.400 -4.264 1.00 64.25 H new ATOM 0 HD23 LEU A 99 -6.458 7.059 -2.612 1.00 64.25 H new ATOM 1571 N LYS A 100 -9.544 10.468 -0.072 1.00 40.34 N ATOM 1572 CA LYS A 100 -10.013 11.779 0.423 1.00 25.45 C ATOM 1573 C LYS A 100 -8.881 12.490 1.192 1.00 63.24 C ATOM 1574 O LYS A 100 -8.476 13.594 0.819 1.00 63.33 O ATOM 1575 CB LYS A 100 -11.281 11.634 1.327 1.00 5.45 C ATOM 1576 CG LYS A 100 -12.638 11.548 0.582 1.00 24.10 C ATOM 1577 CD LYS A 100 -12.768 10.318 -0.330 1.00 21.43 C ATOM 1578 CE LYS A 100 -14.175 10.165 -0.925 1.00 34.35 C ATOM 1579 NZ LYS A 100 -15.221 9.988 0.124 1.00 54.41 N ATOM 0 H LYS A 100 -10.012 9.673 0.362 1.00 40.34 H new ATOM 0 HA LYS A 100 -10.293 12.383 -0.440 1.00 25.45 H new ATOM 0 HB2 LYS A 100 -11.167 10.739 1.938 1.00 5.45 H new ATOM 0 HB3 LYS A 100 -11.316 12.484 2.009 1.00 5.45 H new ATOM 0 HG2 LYS A 100 -13.444 11.532 1.315 1.00 24.10 H new ATOM 0 HG3 LYS A 100 -12.771 12.449 -0.017 1.00 24.10 H new ATOM 0 HD2 LYS A 100 -12.042 10.393 -1.140 1.00 21.43 H new ATOM 0 HD3 LYS A 100 -12.519 9.422 0.239 1.00 21.43 H new ATOM 0 HE2 LYS A 100 -14.411 11.045 -1.524 1.00 34.35 H new ATOM 0 HE3 LYS A 100 -14.191 9.308 -1.598 1.00 34.35 H new ATOM 0 HZ1 LYS A 100 -16.102 9.656 -0.317 1.00 54.41 H new ATOM 0 HZ2 LYS A 100 -14.898 9.288 0.822 1.00 54.41 H new ATOM 0 HZ3 LYS A 100 -15.393 10.897 0.599 1.00 54.41 H new ATOM 1593 N THR A 101 -8.342 11.818 2.234 1.00 51.01 N ATOM 1594 CA THR A 101 -7.274 12.399 3.094 1.00 23.33 C ATOM 1595 C THR A 101 -5.910 12.496 2.355 1.00 14.22 C ATOM 1596 O THR A 101 -4.989 13.169 2.819 1.00 25.32 O ATOM 1597 CB THR A 101 -7.129 11.628 4.454 1.00 21.35 C ATOM 1598 OG1 THR A 101 -6.160 12.259 5.296 1.00 30.12 O ATOM 1599 CG2 THR A 101 -6.737 10.161 4.270 1.00 24.23 C ATOM 0 H THR A 101 -8.625 10.876 2.503 1.00 51.01 H new ATOM 0 HA THR A 101 -7.588 13.417 3.326 1.00 23.33 H new ATOM 0 HB THR A 101 -8.114 11.659 4.920 1.00 21.35 H new ATOM 0 HG1 THR A 101 -6.338 13.222 5.335 1.00 30.12 H new ATOM 0 HG21 THR A 101 -6.652 9.682 5.245 1.00 24.23 H new ATOM 0 HG22 THR A 101 -7.500 9.652 3.681 1.00 24.23 H new ATOM 0 HG23 THR A 101 -5.779 10.102 3.753 1.00 24.23 H new ATOM 1607 N ALA A 102 -5.790 11.783 1.229 1.00 24.42 N ATOM 1608 CA ALA A 102 -4.593 11.774 0.372 1.00 1.23 C ATOM 1609 C ALA A 102 -4.602 12.987 -0.570 1.00 11.01 C ATOM 1610 O ALA A 102 -3.547 13.550 -0.889 1.00 74.22 O ATOM 1611 CB ALA A 102 -4.543 10.469 -0.425 1.00 45.02 C ATOM 0 H ALA A 102 -6.537 11.183 0.879 1.00 24.42 H new ATOM 0 HA ALA A 102 -3.703 11.839 0.997 1.00 1.23 H new ATOM 0 HB1 ALA A 102 -3.656 10.464 -1.059 1.00 45.02 H new ATOM 0 HB2 ALA A 102 -4.503 9.624 0.262 1.00 45.02 H new ATOM 0 HB3 ALA A 102 -5.434 10.388 -1.047 1.00 45.02 H new ATOM 1617 N GLY A 103 -5.818 13.370 -1.012 1.00 12.14 N ATOM 1618 CA GLY A 103 -6.037 14.583 -1.802 1.00 53.42 C ATOM 1619 C GLY A 103 -6.474 15.760 -0.928 1.00 45.21 C ATOM 1620 O GLY A 103 -7.202 16.650 -1.388 1.00 23.15 O ATOM 0 H GLY A 103 -6.671 12.842 -0.827 1.00 12.14 H new ATOM 0 HA2 GLY A 103 -5.120 14.843 -2.330 1.00 53.42 H new ATOM 0 HA3 GLY A 103 -6.797 14.391 -2.559 1.00 53.42 H new ATOM 1624 N SER A 104 -6.033 15.750 0.343 1.00 61.45 N ATOM 1625 CA SER A 104 -6.343 16.791 1.331 1.00 73.04 C ATOM 1626 C SER A 104 -5.219 16.864 2.381 1.00 0.41 C ATOM 1627 O SER A 104 -4.448 15.909 2.550 1.00 20.53 O ATOM 1628 CB SER A 104 -7.713 16.505 1.999 1.00 64.41 C ATOM 1629 OG SER A 104 -8.062 17.506 2.944 1.00 52.24 O ATOM 0 H SER A 104 -5.443 15.006 0.715 1.00 61.45 H new ATOM 0 HA SER A 104 -6.409 17.756 0.829 1.00 73.04 H new ATOM 0 HB2 SER A 104 -8.485 16.445 1.232 1.00 64.41 H new ATOM 0 HB3 SER A 104 -7.680 15.535 2.494 1.00 64.41 H new ATOM 0 HG SER A 104 -7.886 17.176 3.850 1.00 52.24 H new ATOM 1635 N LEU A 105 -5.120 18.015 3.059 1.00 64.03 N ATOM 1636 CA LEU A 105 -4.138 18.260 4.128 1.00 23.54 C ATOM 1637 C LEU A 105 -4.877 18.793 5.363 1.00 22.24 C ATOM 1638 O LEU A 105 -5.302 19.949 5.384 1.00 64.35 O ATOM 1639 CB LEU A 105 -3.048 19.276 3.654 1.00 32.31 C ATOM 1640 CG LEU A 105 -2.100 18.793 2.510 1.00 51.41 C ATOM 1641 CD1 LEU A 105 -1.165 19.926 2.033 1.00 20.51 C ATOM 1642 CD2 LEU A 105 -1.296 17.541 2.936 1.00 63.22 C ATOM 0 H LEU A 105 -5.727 18.814 2.879 1.00 64.03 H new ATOM 0 HA LEU A 105 -3.632 17.328 4.380 1.00 23.54 H new ATOM 0 HB2 LEU A 105 -3.549 20.185 3.321 1.00 32.31 H new ATOM 0 HB3 LEU A 105 -2.436 19.546 4.514 1.00 32.31 H new ATOM 0 HG LEU A 105 -2.727 18.510 1.664 1.00 51.41 H new ATOM 0 HD11 LEU A 105 -0.520 19.554 1.237 1.00 20.51 H new ATOM 0 HD12 LEU A 105 -1.762 20.757 1.658 1.00 20.51 H new ATOM 0 HD13 LEU A 105 -0.552 20.267 2.867 1.00 20.51 H new ATOM 0 HD21 LEU A 105 -0.646 17.230 2.118 1.00 63.22 H new ATOM 0 HD22 LEU A 105 -0.690 17.778 3.811 1.00 63.22 H new ATOM 0 HD23 LEU A 105 -1.985 16.732 3.180 1.00 63.22 H new ATOM 1654 N GLU A 106 -5.065 17.928 6.365 1.00 72.12 N ATOM 1655 CA GLU A 106 -5.702 18.295 7.644 1.00 10.41 C ATOM 1656 C GLU A 106 -4.654 18.953 8.543 1.00 72.32 C ATOM 1657 O GLU A 106 -3.451 18.700 8.378 1.00 23.54 O ATOM 1658 CB GLU A 106 -6.278 17.040 8.379 1.00 33.24 C ATOM 1659 CG GLU A 106 -7.292 16.185 7.578 1.00 61.40 C ATOM 1660 CD GLU A 106 -6.685 15.486 6.345 1.00 72.11 C ATOM 1661 OE1 GLU A 106 -5.659 14.787 6.497 1.00 40.25 O ATOM 1662 OE2 GLU A 106 -7.207 15.651 5.223 1.00 40.23 O ATOM 0 H GLU A 106 -4.781 16.950 6.316 1.00 72.12 H new ATOM 0 HA GLU A 106 -6.525 18.978 7.434 1.00 10.41 H new ATOM 0 HB2 GLU A 106 -5.445 16.400 8.670 1.00 33.24 H new ATOM 0 HB3 GLU A 106 -6.760 17.372 9.298 1.00 33.24 H new ATOM 0 HG2 GLU A 106 -7.717 15.430 8.239 1.00 61.40 H new ATOM 0 HG3 GLU A 106 -8.114 16.823 7.253 1.00 61.40 H new ATOM 1669 N HIS A 107 -5.094 19.790 9.497 1.00 32.13 N ATOM 1670 CA HIS A 107 -4.218 20.254 10.578 1.00 44.44 C ATOM 1671 C HIS A 107 -4.158 19.132 11.620 1.00 21.34 C ATOM 1672 O HIS A 107 -4.925 19.114 12.590 1.00 3.14 O ATOM 1673 CB HIS A 107 -4.720 21.589 11.185 1.00 70.34 C ATOM 1674 CG HIS A 107 -3.760 22.222 12.164 1.00 11.44 C ATOM 1675 ND1 HIS A 107 -4.086 22.534 13.469 1.00 72.12 N ATOM 1676 CD2 HIS A 107 -2.475 22.615 12.003 1.00 74.04 C ATOM 1677 CE1 HIS A 107 -3.040 23.084 14.059 1.00 51.22 C ATOM 1678 NE2 HIS A 107 -2.053 23.143 13.190 1.00 22.03 N ATOM 0 H HIS A 107 -6.045 20.156 9.539 1.00 32.13 H new ATOM 0 HA HIS A 107 -3.218 20.466 10.199 1.00 44.44 H new ATOM 0 HB2 HIS A 107 -4.914 22.293 10.376 1.00 70.34 H new ATOM 0 HB3 HIS A 107 -5.671 21.412 11.688 1.00 70.34 H new ATOM 0 HD2 HIS A 107 -1.889 22.527 11.100 1.00 74.04 H new ATOM 0 HE1 HIS A 107 -3.001 23.427 15.082 1.00 51.22 H new ATOM 0 HE2 HIS A 107 -1.124 23.522 13.373 1.00 22.03 H new ATOM 1687 N HIS A 108 -3.278 18.155 11.337 1.00 41.31 N ATOM 1688 CA HIS A 108 -3.180 16.895 12.083 1.00 4.11 C ATOM 1689 C HIS A 108 -2.795 17.153 13.542 1.00 63.33 C ATOM 1690 O HIS A 108 -1.664 17.534 13.839 1.00 40.33 O ATOM 1691 CB HIS A 108 -2.155 15.944 11.413 1.00 23.01 C ATOM 1692 CG HIS A 108 -2.482 15.597 9.983 1.00 73.04 C ATOM 1693 ND1 HIS A 108 -1.808 16.129 8.902 1.00 3.21 N ATOM 1694 CD2 HIS A 108 -3.399 14.745 9.462 1.00 51.12 C ATOM 1695 CE1 HIS A 108 -2.300 15.627 7.786 1.00 20.21 C ATOM 1696 NE2 HIS A 108 -3.264 14.791 8.101 1.00 1.23 N ATOM 0 H HIS A 108 -2.607 18.223 10.572 1.00 41.31 H new ATOM 0 HA HIS A 108 -4.159 16.416 12.068 1.00 4.11 H new ATOM 0 HB2 HIS A 108 -1.169 16.408 11.447 1.00 23.01 H new ATOM 0 HB3 HIS A 108 -2.095 15.024 11.994 1.00 23.01 H new ATOM 0 HD2 HIS A 108 -4.104 14.143 10.017 1.00 51.12 H new ATOM 0 HE1 HIS A 108 -1.968 15.862 6.786 1.00 20.21 H new ATOM 0 HE2 HIS A 108 -3.824 14.259 7.435 1.00 1.23 H new ATOM 1705 N HIS A 109 -3.785 16.998 14.426 1.00 60.23 N ATOM 1706 CA HIS A 109 -3.596 17.078 15.878 1.00 61.13 C ATOM 1707 C HIS A 109 -3.081 15.719 16.364 1.00 33.23 C ATOM 1708 O HIS A 109 -2.121 15.639 17.138 1.00 50.13 O ATOM 1709 CB HIS A 109 -4.930 17.447 16.576 1.00 53.02 C ATOM 1710 CG HIS A 109 -5.618 18.649 15.978 1.00 34.05 C ATOM 1711 ND1 HIS A 109 -6.780 18.555 15.246 1.00 51.22 N ATOM 1712 CD2 HIS A 109 -5.305 19.968 16.004 1.00 12.53 C ATOM 1713 CE1 HIS A 109 -7.147 19.753 14.850 1.00 44.11 C ATOM 1714 NE2 HIS A 109 -6.275 20.632 15.296 1.00 52.15 N ATOM 0 H HIS A 109 -4.750 16.812 14.151 1.00 60.23 H new ATOM 0 HA HIS A 109 -2.873 17.856 16.124 1.00 61.13 H new ATOM 0 HB2 HIS A 109 -5.604 16.592 16.526 1.00 53.02 H new ATOM 0 HB3 HIS A 109 -4.736 17.639 17.631 1.00 53.02 H new ATOM 0 HD2 HIS A 109 -4.451 20.414 16.492 1.00 12.53 H new ATOM 0 HE1 HIS A 109 -8.020 19.979 14.256 1.00 44.11 H new ATOM 0 HE2 HIS A 109 -6.314 21.639 15.141 1.00 52.15 H new ATOM 1723 N HIS A 110 -3.733 14.652 15.868 1.00 43.42 N ATOM 1724 CA HIS A 110 -3.326 13.266 16.118 1.00 31.22 C ATOM 1725 C HIS A 110 -2.137 12.916 15.204 1.00 54.00 C ATOM 1726 O HIS A 110 -2.312 12.502 14.055 1.00 62.23 O ATOM 1727 CB HIS A 110 -4.528 12.313 15.888 1.00 31.13 C ATOM 1728 CG HIS A 110 -4.237 10.853 16.142 1.00 14.04 C ATOM 1729 ND1 HIS A 110 -4.229 9.900 15.147 1.00 23.24 N ATOM 1730 CD2 HIS A 110 -3.973 10.188 17.290 1.00 51.44 C ATOM 1731 CE1 HIS A 110 -3.967 8.721 15.669 1.00 11.21 C ATOM 1732 NE2 HIS A 110 -3.810 8.866 16.969 1.00 1.11 N ATOM 0 H HIS A 110 -4.562 14.733 15.279 1.00 43.42 H new ATOM 0 HA HIS A 110 -3.008 13.148 17.154 1.00 31.22 H new ATOM 0 HB2 HIS A 110 -5.348 12.623 16.535 1.00 31.13 H new ATOM 0 HB3 HIS A 110 -4.872 12.427 14.860 1.00 31.13 H new ATOM 0 HD2 HIS A 110 -3.904 10.620 18.278 1.00 51.44 H new ATOM 0 HE1 HIS A 110 -3.893 7.792 15.124 1.00 11.21 H new ATOM 0 HE2 HIS A 110 -3.601 8.117 17.629 1.00 1.11 H new ATOM 1741 N HIS A 111 -0.927 13.177 15.707 1.00 21.24 N ATOM 1742 CA HIS A 111 0.327 12.826 15.019 1.00 31.33 C ATOM 1743 C HIS A 111 0.654 11.349 15.288 1.00 63.11 C ATOM 1744 O HIS A 111 0.970 10.588 14.369 1.00 43.32 O ATOM 1745 CB HIS A 111 1.484 13.731 15.510 1.00 22.13 C ATOM 1746 CG HIS A 111 1.207 15.205 15.390 1.00 43.34 C ATOM 1747 ND1 HIS A 111 0.797 15.975 16.456 1.00 53.21 N ATOM 1748 CD2 HIS A 111 1.282 16.043 14.331 1.00 42.42 C ATOM 1749 CE1 HIS A 111 0.633 17.217 16.061 1.00 63.31 C ATOM 1750 NE2 HIS A 111 0.920 17.289 14.777 1.00 14.04 N ATOM 0 H HIS A 111 -0.785 13.639 16.605 1.00 21.24 H new ATOM 0 HA HIS A 111 0.206 12.981 13.947 1.00 31.33 H new ATOM 0 HB2 HIS A 111 1.696 13.496 16.553 1.00 22.13 H new ATOM 0 HB3 HIS A 111 2.383 13.494 14.940 1.00 22.13 H new ATOM 0 HD2 HIS A 111 1.572 15.781 13.324 1.00 42.42 H new ATOM 0 HE1 HIS A 111 0.316 18.041 16.684 1.00 63.31 H new ATOM 0 HE2 HIS A 111 0.880 18.134 14.207 1.00 14.04 H new ATOM 1759 N HIS A 112 0.563 10.968 16.573 1.00 64.10 N ATOM 1760 CA HIS A 112 0.751 9.586 17.038 1.00 53.00 C ATOM 1761 C HIS A 112 -0.332 9.264 18.090 1.00 71.05 C ATOM 1762 O HIS A 112 -1.141 8.347 17.872 1.00 50.44 O ATOM 1763 CB HIS A 112 2.167 9.390 17.638 1.00 63.32 C ATOM 1764 CG HIS A 112 2.444 7.969 18.067 1.00 31.10 C ATOM 1765 ND1 HIS A 112 2.345 7.537 19.374 1.00 41.13 N ATOM 1766 CD2 HIS A 112 2.813 6.882 17.347 1.00 40.02 C ATOM 1767 CE1 HIS A 112 2.646 6.255 19.434 1.00 1.12 C ATOM 1768 NE2 HIS A 112 2.930 5.837 18.220 1.00 73.13 N ATOM 1769 OXT HIS A 112 -0.394 9.970 19.116 1.00 38.57 O ATOM 0 H HIS A 112 0.354 11.622 17.328 1.00 64.10 H new ATOM 0 HA HIS A 112 0.657 8.905 16.192 1.00 53.00 H new ATOM 0 HB2 HIS A 112 2.911 9.691 16.900 1.00 63.32 H new ATOM 0 HB3 HIS A 112 2.284 10.051 18.497 1.00 63.32 H new ATOM 0 HD2 HIS A 112 2.983 6.848 16.281 1.00 40.02 H new ATOM 0 HE1 HIS A 112 2.657 5.650 20.329 1.00 1.12 H new ATOM 0 HE2 HIS A 112 3.195 4.884 17.970 1.00 73.13 H new TER 1778 HIS A 112