USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1153 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 106 LYS NZ :NH3+ -153:sc= 0.087 (180deg=0) USER MOD Set 1.2: A 108 THR OG1 : rot -169:sc= 0.125 USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 TYR OH : rot 180:sc= -0.131 USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= 0.355 X(o=0.41,f=0.63) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= 0.277 F(o=-0.57,f=0.63) USER MOD Set 4.1: A 27 TYR OH : rot 80:sc= -0.765 USER MOD Set 4.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 9 THR OG1 : rot 57:sc= 0.667 USER MOD Set 5.2: A 83 GLN : amide:sc= -0.739 X(o=-0.072,f=0.057) USER MOD Set 6.1: A 8 ASN : amide:sc= 0.284 K(o=1.2,f=-7.2!) USER MOD Set 6.2: A 61 LYS NZ :NH3+ 179:sc= 0.936 (180deg=-0.0851) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0816 (180deg=-0.408) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 1.95 (180deg=1.93) USER MOD Single : A 10 ASN : amide:sc= 0.394 X(o=0.39,f=0.56) USER MOD Single : A 11 ASN : amide:sc= 0.16 K(o=0.16,f=-3.9!) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0.415 (180deg=0.31) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= 0.901 (180deg=0.377) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.669 K(o=0.67,f=-0.037) USER MOD Single : A 25 GLN : amide:sc= -0.661 K(o=-0.66,f=-5!) USER MOD Single : A 28 GLN :FLIP amide:sc= -1.22 F(o=-2.2!,f=-1.2) USER MOD Single : A 35 SER OG : rot -87:sc= 0.372 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 2.19 (180deg=0.461) USER MOD Single : A 42 MET CE :methyl -159:sc= -0.0141 (180deg=-0.477) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= 0.437 (180deg=-0.0121) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 58 SER OG : rot -128:sc= 0.415 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 65 LYS NZ :NH3+ -117:sc= -0.257 (180deg=-1.89!) USER MOD Single : A 67 MET CE :methyl -175:sc= -0.553 (180deg=-0.572) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00985) USER MOD Single : A 76 TYR OH : rot -171:sc= 0.552 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.149 K(o=-0.15,f=-3.7!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 129:sc= 0.217 (180deg=-0.384) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= -0.016 (180deg=-0.13) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc=-0.00771 X(o=-0.0077,f=-0.0077) USER MOD Single : A 115 LYS NZ :NH3+ 171:sc= 0.538 (180deg=0.476) USER MOD Single : A 121 MET CE :methyl -136:sc= 0 (180deg=-2.28!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0.392 (180deg=0.316) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 130 HIS :FLIP no HE2:sc= -0.214 F(o=-1.2,f=-0.21) USER MOD Single : A 131 HIS : +bothHN:sc= -0.716 K(o=-0.72,f=-3.5) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.2) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.956 8.950 5.595 1.00 64.43 N ATOM 2 CA MET A 1 -12.665 8.325 5.952 1.00 71.35 C ATOM 3 C MET A 1 -12.451 7.007 5.199 1.00 2.42 C ATOM 4 O MET A 1 -13.082 5.990 5.520 1.00 51.24 O ATOM 5 CB MET A 1 -12.555 8.088 7.488 1.00 53.53 C ATOM 6 CG MET A 1 -12.244 9.348 8.304 1.00 14.32 C ATOM 7 SD MET A 1 -10.681 10.118 7.808 1.00 3.20 S ATOM 8 CE MET A 1 -9.494 8.799 8.114 1.00 33.00 C ATOM 0 H1 MET A 1 -14.069 9.839 6.122 1.00 64.43 H new ATOM 0 H2 MET A 1 -13.975 9.148 4.574 1.00 64.43 H new ATOM 0 H3 MET A 1 -14.734 8.303 5.837 1.00 64.43 H new ATOM 0 HA MET A 1 -11.881 9.021 5.653 1.00 71.35 H new ATOM 0 HB2 MET A 1 -13.492 7.661 7.845 1.00 53.53 H new ATOM 0 HB3 MET A 1 -11.776 7.348 7.674 1.00 53.53 H new ATOM 0 HG2 MET A 1 -13.055 10.066 8.183 1.00 14.32 H new ATOM 0 HG3 MET A 1 -12.201 9.091 9.362 1.00 14.32 H new ATOM 0 HE1 MET A 1 -8.483 9.207 8.092 1.00 33.00 H new ATOM 0 HE2 MET A 1 -9.686 8.357 9.092 1.00 33.00 H new ATOM 0 HE3 MET A 1 -9.593 8.034 7.344 1.00 33.00 H new ATOM 20 N LYS A 2 -11.579 7.049 4.170 1.00 73.43 N ATOM 21 CA LYS A 2 -10.959 5.850 3.587 1.00 62.51 C ATOM 22 C LYS A 2 -9.447 5.973 3.731 1.00 14.53 C ATOM 23 O LYS A 2 -8.842 6.935 3.241 1.00 52.43 O ATOM 24 CB LYS A 2 -11.294 5.634 2.094 1.00 3.14 C ATOM 25 CG LYS A 2 -12.785 5.574 1.771 1.00 45.40 C ATOM 26 CD LYS A 2 -13.061 5.019 0.354 1.00 55.41 C ATOM 27 CE LYS A 2 -14.487 5.331 -0.108 1.00 61.55 C ATOM 28 NZ LYS A 2 -15.483 5.031 0.950 1.00 0.10 N ATOM 0 H LYS A 2 -11.287 7.918 3.723 1.00 73.43 H new ATOM 0 HA LYS A 2 -11.360 4.992 4.126 1.00 62.51 H new ATOM 0 HB2 LYS A 2 -10.844 6.441 1.515 1.00 3.14 H new ATOM 0 HB3 LYS A 2 -10.828 4.706 1.763 1.00 3.14 H new ATOM 0 HG2 LYS A 2 -13.288 4.948 2.508 1.00 45.40 H new ATOM 0 HG3 LYS A 2 -13.213 6.573 1.856 1.00 45.40 H new ATOM 0 HD2 LYS A 2 -12.348 5.448 -0.350 1.00 55.41 H new ATOM 0 HD3 LYS A 2 -12.904 3.940 0.349 1.00 55.41 H new ATOM 0 HE2 LYS A 2 -14.558 6.382 -0.387 1.00 61.55 H new ATOM 0 HE3 LYS A 2 -14.717 4.748 -1.000 1.00 61.55 H new ATOM 0 HZ1 LYS A 2 -16.442 5.174 0.574 1.00 0.10 H new ATOM 0 HZ2 LYS A 2 -15.375 4.044 1.258 1.00 0.10 H new ATOM 0 HZ3 LYS A 2 -15.331 5.665 1.760 1.00 0.10 H new ATOM 42 N GLU A 3 -8.859 5.012 4.429 1.00 14.44 N ATOM 43 CA GLU A 3 -7.417 4.873 4.525 1.00 50.22 C ATOM 44 C GLU A 3 -6.954 3.848 3.473 1.00 41.02 C ATOM 45 O GLU A 3 -7.182 2.646 3.615 1.00 0.51 O ATOM 46 CB GLU A 3 -7.013 4.433 5.959 1.00 62.52 C ATOM 47 CG GLU A 3 -7.604 5.287 7.113 1.00 71.24 C ATOM 48 CD GLU A 3 -8.997 4.834 7.591 1.00 43.51 C ATOM 49 OE1 GLU A 3 -9.068 3.970 8.490 1.00 30.41 O ATOM 50 OE2 GLU A 3 -10.021 5.342 7.076 1.00 44.03 O ATOM 0 H GLU A 3 -9.376 4.302 4.948 1.00 14.44 H new ATOM 0 HA GLU A 3 -6.932 5.830 4.330 1.00 50.22 H new ATOM 0 HB2 GLU A 3 -7.321 3.397 6.103 1.00 62.52 H new ATOM 0 HB3 GLU A 3 -5.926 4.455 6.034 1.00 62.52 H new ATOM 0 HG2 GLU A 3 -6.916 5.259 7.958 1.00 71.24 H new ATOM 0 HG3 GLU A 3 -7.665 6.325 6.786 1.00 71.24 H new ATOM 57 N LEU A 4 -6.280 4.338 2.433 1.00 44.41 N ATOM 58 CA LEU A 4 -5.793 3.495 1.338 1.00 52.32 C ATOM 59 C LEU A 4 -4.359 3.115 1.673 1.00 11.50 C ATOM 60 O LEU A 4 -3.462 3.959 1.638 1.00 64.41 O ATOM 61 CB LEU A 4 -5.876 4.233 -0.038 1.00 22.01 C ATOM 62 CG LEU A 4 -7.293 4.329 -0.713 1.00 11.14 C ATOM 63 CD1 LEU A 4 -7.866 2.933 -1.035 1.00 13.43 C ATOM 64 CD2 LEU A 4 -8.279 5.155 0.132 1.00 3.31 C ATOM 0 H LEU A 4 -6.056 5.327 2.324 1.00 44.41 H new ATOM 0 HA LEU A 4 -6.415 2.605 1.240 1.00 52.32 H new ATOM 0 HB2 LEU A 4 -5.496 5.246 0.097 1.00 22.01 H new ATOM 0 HB3 LEU A 4 -5.203 3.730 -0.733 1.00 22.01 H new ATOM 0 HG LEU A 4 -7.157 4.856 -1.658 1.00 11.14 H new ATOM 0 HD11 LEU A 4 -8.846 3.040 -1.500 1.00 13.43 H new ATOM 0 HD12 LEU A 4 -7.195 2.413 -1.718 1.00 13.43 H new ATOM 0 HD13 LEU A 4 -7.963 2.358 -0.114 1.00 13.43 H new ATOM 0 HD21 LEU A 4 -9.245 5.195 -0.372 1.00 3.31 H new ATOM 0 HD22 LEU A 4 -8.399 4.689 1.110 1.00 3.31 H new ATOM 0 HD23 LEU A 4 -7.893 6.166 0.257 1.00 3.31 H new ATOM 76 N ILE A 5 -4.162 1.840 2.006 1.00 31.14 N ATOM 77 CA ILE A 5 -2.852 1.300 2.374 1.00 11.11 C ATOM 78 C ILE A 5 -2.273 0.545 1.181 1.00 1.24 C ATOM 79 O ILE A 5 -2.878 -0.399 0.674 1.00 11.14 O ATOM 80 CB ILE A 5 -2.945 0.362 3.633 1.00 60.54 C ATOM 81 CG1 ILE A 5 -1.577 -0.330 3.950 1.00 5.41 C ATOM 82 CG2 ILE A 5 -4.083 -0.661 3.484 1.00 20.32 C ATOM 83 CD1 ILE A 5 -1.582 -1.247 5.164 1.00 62.32 C ATOM 0 H ILE A 5 -4.911 1.148 2.028 1.00 31.14 H new ATOM 0 HA ILE A 5 -2.194 2.127 2.640 1.00 11.11 H new ATOM 0 HB ILE A 5 -3.183 0.992 4.490 1.00 60.54 H new ATOM 0 HG12 ILE A 5 -1.270 -0.909 3.079 1.00 5.41 H new ATOM 0 HG13 ILE A 5 -0.823 0.443 4.101 1.00 5.41 H new ATOM 0 HG21 ILE A 5 -4.121 -1.294 4.370 1.00 20.32 H new ATOM 0 HG22 ILE A 5 -5.032 -0.136 3.372 1.00 20.32 H new ATOM 0 HG23 ILE A 5 -3.904 -1.279 2.604 1.00 20.32 H new ATOM 0 HD11 ILE A 5 -0.590 -1.677 5.299 1.00 62.32 H new ATOM 0 HD12 ILE A 5 -1.853 -0.675 6.051 1.00 62.32 H new ATOM 0 HD13 ILE A 5 -2.307 -2.047 5.013 1.00 62.32 H new ATOM 95 N LEU A 6 -1.129 1.006 0.705 1.00 23.14 N ATOM 96 CA LEU A 6 -0.394 0.350 -0.369 1.00 12.41 C ATOM 97 C LEU A 6 0.800 -0.370 0.253 1.00 53.23 C ATOM 98 O LEU A 6 1.609 0.255 0.933 1.00 12.35 O ATOM 99 CB LEU A 6 0.079 1.374 -1.431 1.00 25.13 C ATOM 100 CG LEU A 6 -1.028 2.099 -2.275 1.00 72.12 C ATOM 101 CD1 LEU A 6 -1.854 3.116 -1.448 1.00 13.40 C ATOM 102 CD2 LEU A 6 -0.399 2.766 -3.502 1.00 12.22 C ATOM 0 H LEU A 6 -0.679 1.852 1.054 1.00 23.14 H new ATOM 0 HA LEU A 6 -1.043 -0.362 -0.880 1.00 12.41 H new ATOM 0 HB2 LEU A 6 0.670 2.137 -0.924 1.00 25.13 H new ATOM 0 HB3 LEU A 6 0.747 0.859 -2.122 1.00 25.13 H new ATOM 0 HG LEU A 6 -1.734 1.336 -2.603 1.00 72.12 H new ATOM 0 HD11 LEU A 6 -2.602 3.583 -2.088 1.00 13.40 H new ATOM 0 HD12 LEU A 6 -2.351 2.599 -0.627 1.00 13.40 H new ATOM 0 HD13 LEU A 6 -1.191 3.882 -1.046 1.00 13.40 H new ATOM 0 HD21 LEU A 6 -1.175 3.267 -4.082 1.00 12.22 H new ATOM 0 HD22 LEU A 6 0.342 3.498 -3.179 1.00 12.22 H new ATOM 0 HD23 LEU A 6 0.084 2.009 -4.120 1.00 12.22 H new ATOM 114 N ILE A 7 0.890 -1.684 0.041 1.00 13.42 N ATOM 115 CA ILE A 7 2.041 -2.477 0.460 1.00 1.32 C ATOM 116 C ILE A 7 2.952 -2.636 -0.758 1.00 42.13 C ATOM 117 O ILE A 7 2.475 -2.847 -1.868 1.00 52.11 O ATOM 118 CB ILE A 7 1.669 -3.911 1.040 1.00 51.23 C ATOM 119 CG1 ILE A 7 0.862 -3.827 2.384 1.00 73.23 C ATOM 120 CG2 ILE A 7 2.936 -4.779 1.247 1.00 5.33 C ATOM 121 CD1 ILE A 7 -0.566 -3.355 2.256 1.00 40.12 C ATOM 0 H ILE A 7 0.164 -2.227 -0.427 1.00 13.42 H new ATOM 0 HA ILE A 7 2.528 -1.950 1.280 1.00 1.32 H new ATOM 0 HB ILE A 7 1.028 -4.382 0.294 1.00 51.23 H new ATOM 0 HG12 ILE A 7 0.860 -4.813 2.849 1.00 73.23 H new ATOM 0 HG13 ILE A 7 1.389 -3.156 3.062 1.00 73.23 H new ATOM 0 HG21 ILE A 7 2.649 -5.753 1.644 1.00 5.33 H new ATOM 0 HG22 ILE A 7 3.446 -4.912 0.293 1.00 5.33 H new ATOM 0 HG23 ILE A 7 3.606 -4.283 1.950 1.00 5.33 H new ATOM 0 HD11 ILE A 7 -1.032 -3.334 3.241 1.00 40.12 H new ATOM 0 HD12 ILE A 7 -0.581 -2.354 1.826 1.00 40.12 H new ATOM 0 HD13 ILE A 7 -1.118 -4.036 1.609 1.00 40.12 H new ATOM 133 N ASN A 8 4.250 -2.467 -0.553 1.00 44.23 N ATOM 134 CA ASN A 8 5.266 -2.801 -1.542 1.00 53.03 C ATOM 135 C ASN A 8 6.097 -3.927 -0.955 1.00 30.33 C ATOM 136 O ASN A 8 6.578 -3.816 0.169 1.00 74.24 O ATOM 137 CB ASN A 8 6.154 -1.586 -1.863 1.00 74.32 C ATOM 138 CG ASN A 8 7.147 -1.828 -3.008 1.00 44.23 C ATOM 139 OD1 ASN A 8 8.267 -1.337 -2.970 1.00 63.30 O ATOM 140 ND2 ASN A 8 6.731 -2.535 -4.058 1.00 24.11 N ATOM 0 H ASN A 8 4.632 -2.090 0.314 1.00 44.23 H new ATOM 0 HA ASN A 8 4.799 -3.104 -2.479 1.00 53.03 H new ATOM 0 HB2 ASN A 8 5.517 -0.740 -2.120 1.00 74.32 H new ATOM 0 HB3 ASN A 8 6.708 -1.306 -0.967 1.00 74.32 H new ATOM 0 HD21 ASN A 8 7.351 -2.677 -4.855 1.00 24.11 H new ATOM 0 HD22 ASN A 8 5.792 -2.934 -4.065 1.00 24.11 H new ATOM 147 N THR A 9 6.199 -5.034 -1.680 1.00 33.32 N ATOM 148 CA THR A 9 6.980 -6.192 -1.241 1.00 53.44 C ATOM 149 C THR A 9 7.623 -6.886 -2.443 1.00 2.22 C ATOM 150 O THR A 9 7.019 -6.988 -3.520 1.00 41.25 O ATOM 151 CB THR A 9 6.115 -7.185 -0.380 1.00 3.41 C ATOM 152 OG1 THR A 9 6.787 -8.450 -0.209 1.00 12.00 O ATOM 153 CG2 THR A 9 4.720 -7.404 -0.962 1.00 43.03 C ATOM 0 H THR A 9 5.746 -5.158 -2.586 1.00 33.32 H new ATOM 0 HA THR A 9 7.780 -5.837 -0.591 1.00 53.44 H new ATOM 0 HB THR A 9 5.992 -6.716 0.596 1.00 3.41 H new ATOM 0 HG1 THR A 9 7.667 -8.301 0.196 1.00 12.00 H new ATOM 0 HG21 THR A 9 4.166 -8.097 -0.329 1.00 43.03 H new ATOM 0 HG22 THR A 9 4.191 -6.452 -1.007 1.00 43.03 H new ATOM 0 HG23 THR A 9 4.806 -7.819 -1.966 1.00 43.03 H new ATOM 161 N ASN A 10 8.879 -7.316 -2.253 1.00 11.31 N ATOM 162 CA ASN A 10 9.642 -8.071 -3.261 1.00 43.30 C ATOM 163 C ASN A 10 9.328 -9.576 -3.127 1.00 41.40 C ATOM 164 O ASN A 10 9.529 -10.348 -4.068 1.00 63.31 O ATOM 165 CB ASN A 10 11.172 -7.794 -3.090 1.00 60.03 C ATOM 166 CG ASN A 10 12.021 -8.109 -4.341 1.00 51.03 C ATOM 167 OD1 ASN A 10 11.686 -8.962 -5.165 1.00 24.30 O ATOM 168 ND2 ASN A 10 13.136 -7.412 -4.495 1.00 51.42 N ATOM 0 H ASN A 10 9.398 -7.149 -1.391 1.00 11.31 H new ATOM 0 HA ASN A 10 9.351 -7.747 -4.260 1.00 43.30 H new ATOM 0 HB2 ASN A 10 11.312 -6.746 -2.826 1.00 60.03 H new ATOM 0 HB3 ASN A 10 11.545 -8.386 -2.254 1.00 60.03 H new ATOM 0 HD21 ASN A 10 13.733 -7.577 -5.305 1.00 51.42 H new ATOM 0 HD22 ASN A 10 13.398 -6.710 -3.803 1.00 51.42 H new ATOM 175 N ASN A 11 8.800 -9.974 -1.959 1.00 60.24 N ATOM 176 CA ASN A 11 8.521 -11.385 -1.638 1.00 4.44 C ATOM 177 C ASN A 11 7.082 -11.749 -2.072 1.00 32.42 C ATOM 178 O ASN A 11 6.103 -11.263 -1.493 1.00 13.22 O ATOM 179 CB ASN A 11 8.748 -11.628 -0.117 1.00 15.20 C ATOM 180 CG ASN A 11 8.715 -13.111 0.315 1.00 34.35 C ATOM 181 OD1 ASN A 11 8.041 -13.959 -0.279 1.00 74.14 O ATOM 182 ND2 ASN A 11 9.431 -13.422 1.385 1.00 51.32 N ATOM 0 H ASN A 11 8.554 -9.327 -1.209 1.00 60.24 H new ATOM 0 HA ASN A 11 9.204 -12.034 -2.187 1.00 4.44 H new ATOM 0 HB2 ASN A 11 9.712 -11.204 0.164 1.00 15.20 H new ATOM 0 HB3 ASN A 11 7.985 -11.085 0.441 1.00 15.20 H new ATOM 0 HD21 ASN A 11 9.434 -14.380 1.736 1.00 51.32 H new ATOM 0 HD22 ASN A 11 9.979 -12.704 1.858 1.00 51.32 H new ATOM 189 N ASP A 12 6.995 -12.616 -3.096 1.00 73.31 N ATOM 190 CA ASP A 12 5.727 -13.099 -3.687 1.00 72.01 C ATOM 191 C ASP A 12 4.829 -13.791 -2.655 1.00 54.35 C ATOM 192 O ASP A 12 3.611 -13.560 -2.607 1.00 45.13 O ATOM 193 CB ASP A 12 6.035 -14.099 -4.831 1.00 1.11 C ATOM 194 CG ASP A 12 4.785 -14.774 -5.420 1.00 3.42 C ATOM 195 OD1 ASP A 12 3.993 -14.088 -6.100 1.00 30.12 O ATOM 196 OD2 ASP A 12 4.585 -15.992 -5.205 1.00 5.30 O ATOM 0 H ASP A 12 7.820 -13.011 -3.548 1.00 73.31 H new ATOM 0 HA ASP A 12 5.195 -12.227 -4.066 1.00 72.01 H new ATOM 0 HB2 ASP A 12 6.562 -13.574 -5.628 1.00 1.11 H new ATOM 0 HB3 ASP A 12 6.709 -14.869 -4.456 1.00 1.11 H new ATOM 201 N GLU A 13 5.451 -14.670 -1.864 1.00 1.44 N ATOM 202 CA GLU A 13 4.745 -15.476 -0.872 1.00 74.01 C ATOM 203 C GLU A 13 4.261 -14.594 0.288 1.00 71.12 C ATOM 204 O GLU A 13 3.196 -14.843 0.853 1.00 12.11 O ATOM 205 CB GLU A 13 5.653 -16.617 -0.358 1.00 33.52 C ATOM 206 CG GLU A 13 6.177 -17.540 -1.474 1.00 3.21 C ATOM 207 CD GLU A 13 7.042 -18.688 -0.943 1.00 31.22 C ATOM 208 OE1 GLU A 13 8.230 -18.459 -0.640 1.00 70.13 O ATOM 209 OE2 GLU A 13 6.538 -19.823 -0.805 1.00 31.44 O ATOM 0 H GLU A 13 6.456 -14.840 -1.895 1.00 1.44 H new ATOM 0 HA GLU A 13 3.871 -15.925 -1.344 1.00 74.01 H new ATOM 0 HB2 GLU A 13 6.501 -16.184 0.172 1.00 33.52 H new ATOM 0 HB3 GLU A 13 5.097 -17.214 0.365 1.00 33.52 H new ATOM 0 HG2 GLU A 13 5.331 -17.953 -2.023 1.00 3.21 H new ATOM 0 HG3 GLU A 13 6.760 -16.951 -2.182 1.00 3.21 H new ATOM 216 N LEU A 14 5.048 -13.535 0.608 1.00 15.12 N ATOM 217 CA LEU A 14 4.683 -12.569 1.653 1.00 60.22 C ATOM 218 C LEU A 14 3.423 -11.797 1.242 1.00 22.24 C ATOM 219 O LEU A 14 2.579 -11.542 2.093 1.00 11.41 O ATOM 220 CB LEU A 14 5.839 -11.586 1.954 1.00 74.25 C ATOM 221 CG LEU A 14 5.588 -10.550 3.102 1.00 54.44 C ATOM 222 CD1 LEU A 14 5.303 -11.247 4.451 1.00 24.54 C ATOM 223 CD2 LEU A 14 6.757 -9.551 3.215 1.00 24.22 C ATOM 0 H LEU A 14 5.938 -13.336 0.152 1.00 15.12 H new ATOM 0 HA LEU A 14 4.480 -13.129 2.566 1.00 60.22 H new ATOM 0 HB2 LEU A 14 6.726 -12.168 2.206 1.00 74.25 H new ATOM 0 HB3 LEU A 14 6.067 -11.036 1.041 1.00 74.25 H new ATOM 0 HG LEU A 14 4.694 -9.984 2.842 1.00 54.44 H new ATOM 0 HD11 LEU A 14 5.134 -10.494 5.221 1.00 24.54 H new ATOM 0 HD12 LEU A 14 4.417 -11.874 4.356 1.00 24.54 H new ATOM 0 HD13 LEU A 14 6.157 -11.865 4.729 1.00 24.54 H new ATOM 0 HD21 LEU A 14 6.555 -8.844 4.020 1.00 24.22 H new ATOM 0 HD22 LEU A 14 7.678 -10.092 3.430 1.00 24.22 H new ATOM 0 HD23 LEU A 14 6.865 -9.010 2.275 1.00 24.22 H new ATOM 235 N ILE A 15 3.301 -11.459 -0.077 1.00 75.20 N ATOM 236 CA ILE A 15 2.076 -10.831 -0.636 1.00 21.03 C ATOM 237 C ILE A 15 0.837 -11.647 -0.225 1.00 72.01 C ATOM 238 O ILE A 15 -0.126 -11.104 0.314 1.00 74.30 O ATOM 239 CB ILE A 15 2.083 -10.742 -2.217 1.00 24.33 C ATOM 240 CG1 ILE A 15 3.340 -10.000 -2.754 1.00 3.11 C ATOM 241 CG2 ILE A 15 0.790 -10.068 -2.739 1.00 24.40 C ATOM 242 CD1 ILE A 15 3.439 -9.890 -4.272 1.00 5.42 C ATOM 0 H ILE A 15 4.037 -11.613 -0.766 1.00 75.20 H new ATOM 0 HA ILE A 15 2.049 -9.818 -0.235 1.00 21.03 H new ATOM 0 HB ILE A 15 2.120 -11.764 -2.594 1.00 24.33 H new ATOM 0 HG12 ILE A 15 3.355 -8.995 -2.333 1.00 3.11 H new ATOM 0 HG13 ILE A 15 4.228 -10.513 -2.386 1.00 3.11 H new ATOM 0 HG21 ILE A 15 0.819 -10.019 -3.827 1.00 24.40 H new ATOM 0 HG22 ILE A 15 -0.076 -10.651 -2.425 1.00 24.40 H new ATOM 0 HG23 ILE A 15 0.716 -9.060 -2.332 1.00 24.40 H new ATOM 0 HD11 ILE A 15 4.351 -9.356 -4.539 1.00 5.42 H new ATOM 0 HD12 ILE A 15 3.462 -10.889 -4.708 1.00 5.42 H new ATOM 0 HD13 ILE A 15 2.575 -9.347 -4.655 1.00 5.42 H new ATOM 254 N LYS A 16 0.932 -12.965 -0.461 1.00 5.41 N ATOM 255 CA LYS A 16 -0.162 -13.923 -0.229 1.00 10.21 C ATOM 256 C LYS A 16 -0.480 -14.082 1.273 1.00 1.42 C ATOM 257 O LYS A 16 -1.645 -14.238 1.643 1.00 4.21 O ATOM 258 CB LYS A 16 0.194 -15.290 -0.866 1.00 22.10 C ATOM 259 CG LYS A 16 0.342 -15.246 -2.403 1.00 55.45 C ATOM 260 CD LYS A 16 0.692 -16.625 -3.005 1.00 5.03 C ATOM 261 CE LYS A 16 0.674 -16.623 -4.542 1.00 62.21 C ATOM 262 NZ LYS A 16 1.655 -15.669 -5.120 1.00 23.13 N ATOM 0 H LYS A 16 1.780 -13.401 -0.822 1.00 5.41 H new ATOM 0 HA LYS A 16 -1.061 -13.530 -0.704 1.00 10.21 H new ATOM 0 HB2 LYS A 16 1.126 -15.650 -0.431 1.00 22.10 H new ATOM 0 HB3 LYS A 16 -0.579 -16.013 -0.606 1.00 22.10 H new ATOM 0 HG2 LYS A 16 -0.588 -14.886 -2.844 1.00 55.45 H new ATOM 0 HG3 LYS A 16 1.119 -14.529 -2.669 1.00 55.45 H new ATOM 0 HD2 LYS A 16 1.680 -16.928 -2.658 1.00 5.03 H new ATOM 0 HD3 LYS A 16 -0.017 -17.367 -2.638 1.00 5.03 H new ATOM 0 HE2 LYS A 16 0.890 -17.627 -4.906 1.00 62.21 H new ATOM 0 HE3 LYS A 16 -0.326 -16.366 -4.890 1.00 62.21 H new ATOM 0 HZ1 LYS A 16 1.534 -15.630 -6.152 1.00 23.13 H new ATOM 0 HZ2 LYS A 16 1.498 -14.723 -4.717 1.00 23.13 H new ATOM 0 HZ3 LYS A 16 2.620 -15.985 -4.896 1.00 23.13 H new ATOM 276 N LYS A 17 0.563 -14.029 2.126 1.00 11.01 N ATOM 277 CA LYS A 17 0.405 -14.095 3.595 1.00 50.42 C ATOM 278 C LYS A 17 -0.328 -12.842 4.113 1.00 10.23 C ATOM 279 O LYS A 17 -1.194 -12.936 4.992 1.00 1.13 O ATOM 280 CB LYS A 17 1.789 -14.248 4.278 1.00 12.22 C ATOM 281 CG LYS A 17 2.537 -15.546 3.897 1.00 42.32 C ATOM 282 CD LYS A 17 3.957 -15.624 4.505 1.00 41.23 C ATOM 283 CE LYS A 17 3.952 -15.706 6.041 1.00 24.34 C ATOM 284 NZ LYS A 17 5.332 -15.793 6.593 1.00 74.43 N ATOM 0 H LYS A 17 1.532 -13.940 1.820 1.00 11.01 H new ATOM 0 HA LYS A 17 -0.198 -14.968 3.845 1.00 50.42 H new ATOM 0 HB2 LYS A 17 2.410 -13.392 4.014 1.00 12.22 H new ATOM 0 HB3 LYS A 17 1.654 -14.222 5.359 1.00 12.22 H new ATOM 0 HG2 LYS A 17 1.956 -16.405 4.232 1.00 42.32 H new ATOM 0 HG3 LYS A 17 2.608 -15.613 2.811 1.00 42.32 H new ATOM 0 HD2 LYS A 17 4.471 -16.497 4.102 1.00 41.23 H new ATOM 0 HD3 LYS A 17 4.527 -14.748 4.196 1.00 41.23 H new ATOM 0 HE2 LYS A 17 3.451 -14.829 6.450 1.00 24.34 H new ATOM 0 HE3 LYS A 17 3.378 -16.577 6.357 1.00 24.34 H new ATOM 0 HZ1 LYS A 17 5.288 -15.847 7.631 1.00 74.43 H new ATOM 0 HZ2 LYS A 17 5.801 -16.644 6.222 1.00 74.43 H new ATOM 0 HZ3 LYS A 17 5.872 -14.949 6.313 1.00 74.43 H new ATOM 298 N ILE A 18 0.031 -11.675 3.525 1.00 33.55 N ATOM 299 CA ILE A 18 -0.622 -10.382 3.802 1.00 11.23 C ATOM 300 C ILE A 18 -2.096 -10.462 3.391 1.00 31.21 C ATOM 301 O ILE A 18 -2.967 -10.051 4.156 1.00 13.30 O ATOM 302 CB ILE A 18 0.092 -9.178 3.056 1.00 75.01 C ATOM 303 CG1 ILE A 18 1.566 -9.031 3.548 1.00 72.24 C ATOM 304 CG2 ILE A 18 -0.684 -7.844 3.228 1.00 51.32 C ATOM 305 CD1 ILE A 18 2.413 -8.019 2.795 1.00 63.45 C ATOM 0 H ILE A 18 0.786 -11.609 2.842 1.00 33.55 H new ATOM 0 HA ILE A 18 -0.542 -10.186 4.871 1.00 11.23 H new ATOM 0 HB ILE A 18 0.099 -9.409 1.991 1.00 75.01 H new ATOM 0 HG12 ILE A 18 1.552 -8.753 4.602 1.00 72.24 H new ATOM 0 HG13 ILE A 18 2.051 -10.005 3.481 1.00 72.24 H new ATOM 0 HG21 ILE A 18 -0.159 -7.047 2.701 1.00 51.32 H new ATOM 0 HG22 ILE A 18 -1.688 -7.951 2.817 1.00 51.32 H new ATOM 0 HG23 ILE A 18 -0.751 -7.596 4.287 1.00 51.32 H new ATOM 0 HD11 ILE A 18 3.417 -7.998 3.219 1.00 63.45 H new ATOM 0 HD12 ILE A 18 2.468 -8.301 1.744 1.00 63.45 H new ATOM 0 HD13 ILE A 18 1.962 -7.031 2.882 1.00 63.45 H new ATOM 317 N LYS A 19 -2.354 -11.056 2.197 1.00 21.10 N ATOM 318 CA LYS A 19 -3.718 -11.241 1.676 1.00 31.14 C ATOM 319 C LYS A 19 -4.582 -11.970 2.707 1.00 55.24 C ATOM 320 O LYS A 19 -5.635 -11.462 3.080 1.00 13.44 O ATOM 321 CB LYS A 19 -3.738 -12.022 0.328 1.00 13.44 C ATOM 322 CG LYS A 19 -3.067 -11.289 -0.850 1.00 72.42 C ATOM 323 CD LYS A 19 -3.303 -11.999 -2.203 1.00 3.00 C ATOM 324 CE LYS A 19 -2.701 -11.228 -3.383 1.00 10.02 C ATOM 325 NZ LYS A 19 -3.057 -11.836 -4.690 1.00 72.14 N ATOM 0 H LYS A 19 -1.625 -11.414 1.580 1.00 21.10 H new ATOM 0 HA LYS A 19 -4.125 -10.248 1.486 1.00 31.14 H new ATOM 0 HB2 LYS A 19 -3.241 -12.981 0.472 1.00 13.44 H new ATOM 0 HB3 LYS A 19 -4.773 -12.236 0.063 1.00 13.44 H new ATOM 0 HG2 LYS A 19 -3.452 -10.271 -0.906 1.00 72.42 H new ATOM 0 HG3 LYS A 19 -1.995 -11.215 -0.664 1.00 72.42 H new ATOM 0 HD2 LYS A 19 -2.868 -12.998 -2.166 1.00 3.00 H new ATOM 0 HD3 LYS A 19 -4.374 -12.123 -2.363 1.00 3.00 H new ATOM 0 HE2 LYS A 19 -3.051 -10.196 -3.357 1.00 10.02 H new ATOM 0 HE3 LYS A 19 -1.616 -11.200 -3.281 1.00 10.02 H new ATOM 0 HZ1 LYS A 19 -3.065 -11.100 -5.425 1.00 72.14 H new ATOM 0 HZ2 LYS A 19 -2.356 -12.564 -4.937 1.00 72.14 H new ATOM 0 HZ3 LYS A 19 -3.999 -12.271 -4.625 1.00 72.14 H new ATOM 339 N LYS A 20 -4.068 -13.113 3.219 1.00 30.11 N ATOM 340 CA LYS A 20 -4.810 -13.975 4.153 1.00 15.45 C ATOM 341 C LYS A 20 -5.120 -13.249 5.470 1.00 3.42 C ATOM 342 O LYS A 20 -6.219 -13.414 6.005 1.00 23.35 O ATOM 343 CB LYS A 20 -4.048 -15.295 4.427 1.00 21.32 C ATOM 344 CG LYS A 20 -3.754 -16.157 3.175 1.00 30.33 C ATOM 345 CD LYS A 20 -5.010 -16.489 2.331 1.00 74.20 C ATOM 346 CE LYS A 20 -6.082 -17.291 3.099 1.00 65.15 C ATOM 347 NZ LYS A 20 -5.579 -18.603 3.594 1.00 23.44 N ATOM 0 H LYS A 20 -3.134 -13.457 2.995 1.00 30.11 H new ATOM 0 HA LYS A 20 -5.758 -14.221 3.675 1.00 15.45 H new ATOM 0 HB2 LYS A 20 -3.103 -15.056 4.914 1.00 21.32 H new ATOM 0 HB3 LYS A 20 -4.628 -15.891 5.131 1.00 21.32 H new ATOM 0 HG2 LYS A 20 -3.034 -15.633 2.546 1.00 30.33 H new ATOM 0 HG3 LYS A 20 -3.283 -17.088 3.490 1.00 30.33 H new ATOM 0 HD2 LYS A 20 -5.452 -15.559 1.973 1.00 74.20 H new ATOM 0 HD3 LYS A 20 -4.706 -17.056 1.451 1.00 74.20 H new ATOM 0 HE2 LYS A 20 -6.435 -16.700 3.944 1.00 65.15 H new ATOM 0 HE3 LYS A 20 -6.940 -17.459 2.447 1.00 65.15 H new ATOM 0 HZ1 LYS A 20 -6.340 -19.098 4.101 1.00 23.44 H new ATOM 0 HZ2 LYS A 20 -5.267 -19.182 2.788 1.00 23.44 H new ATOM 0 HZ3 LYS A 20 -4.778 -18.447 4.239 1.00 23.44 H new ATOM 361 N GLU A 21 -4.149 -12.446 5.978 1.00 15.11 N ATOM 362 CA GLU A 21 -4.365 -11.573 7.158 1.00 32.41 C ATOM 363 C GLU A 21 -5.620 -10.708 6.955 1.00 41.11 C ATOM 364 O GLU A 21 -6.571 -10.758 7.736 1.00 45.30 O ATOM 365 CB GLU A 21 -3.127 -10.652 7.395 1.00 51.14 C ATOM 366 CG GLU A 21 -1.854 -11.376 7.870 1.00 61.44 C ATOM 367 CD GLU A 21 -1.968 -11.916 9.308 1.00 13.41 C ATOM 368 OE1 GLU A 21 -1.813 -11.116 10.259 1.00 65.42 O ATOM 369 OE2 GLU A 21 -2.215 -13.131 9.497 1.00 4.44 O ATOM 0 H GLU A 21 -3.209 -12.386 5.587 1.00 15.11 H new ATOM 0 HA GLU A 21 -4.503 -12.209 8.032 1.00 32.41 H new ATOM 0 HB2 GLU A 21 -2.902 -10.126 6.467 1.00 51.14 H new ATOM 0 HB3 GLU A 21 -3.393 -9.896 8.133 1.00 51.14 H new ATOM 0 HG2 GLU A 21 -1.640 -12.203 7.193 1.00 61.44 H new ATOM 0 HG3 GLU A 21 -1.009 -10.689 7.812 1.00 61.44 H new ATOM 376 N VAL A 22 -5.620 -10.013 5.820 1.00 10.53 N ATOM 377 CA VAL A 22 -6.600 -8.973 5.482 1.00 3.53 C ATOM 378 C VAL A 22 -7.959 -9.579 5.045 1.00 14.41 C ATOM 379 O VAL A 22 -9.009 -8.913 5.146 1.00 11.11 O ATOM 380 CB VAL A 22 -5.992 -8.053 4.371 1.00 64.01 C ATOM 381 CG1 VAL A 22 -6.876 -6.845 4.060 1.00 4.43 C ATOM 382 CG2 VAL A 22 -4.583 -7.584 4.766 1.00 73.51 C ATOM 0 H VAL A 22 -4.923 -10.158 5.089 1.00 10.53 H new ATOM 0 HA VAL A 22 -6.809 -8.377 6.370 1.00 3.53 H new ATOM 0 HB VAL A 22 -5.933 -8.656 3.465 1.00 64.01 H new ATOM 0 HG11 VAL A 22 -6.407 -6.241 3.283 1.00 4.43 H new ATOM 0 HG12 VAL A 22 -7.851 -7.187 3.714 1.00 4.43 H new ATOM 0 HG13 VAL A 22 -7.001 -6.244 4.961 1.00 4.43 H new ATOM 0 HG21 VAL A 22 -4.178 -6.946 3.980 1.00 73.51 H new ATOM 0 HG22 VAL A 22 -4.635 -7.023 5.699 1.00 73.51 H new ATOM 0 HG23 VAL A 22 -3.935 -8.450 4.899 1.00 73.51 H new ATOM 392 N GLU A 23 -7.931 -10.853 4.587 1.00 60.05 N ATOM 393 CA GLU A 23 -9.147 -11.640 4.299 1.00 32.10 C ATOM 394 C GLU A 23 -9.960 -11.820 5.590 1.00 24.41 C ATOM 395 O GLU A 23 -11.178 -11.604 5.606 1.00 73.32 O ATOM 396 CB GLU A 23 -8.790 -13.038 3.708 1.00 13.51 C ATOM 397 CG GLU A 23 -8.214 -13.033 2.278 1.00 35.33 C ATOM 398 CD GLU A 23 -9.186 -12.471 1.227 1.00 12.43 C ATOM 399 OE1 GLU A 23 -10.259 -13.079 1.019 1.00 43.51 O ATOM 400 OE2 GLU A 23 -8.881 -11.445 0.591 1.00 12.31 O ATOM 0 H GLU A 23 -7.065 -11.361 4.408 1.00 60.05 H new ATOM 0 HA GLU A 23 -9.736 -11.098 3.559 1.00 32.10 H new ATOM 0 HB2 GLU A 23 -8.068 -13.518 4.369 1.00 13.51 H new ATOM 0 HB3 GLU A 23 -9.688 -13.655 3.716 1.00 13.51 H new ATOM 0 HG2 GLU A 23 -7.298 -12.443 2.266 1.00 35.33 H new ATOM 0 HG3 GLU A 23 -7.941 -14.051 2.001 1.00 35.33 H new ATOM 407 N ASN A 24 -9.255 -12.190 6.679 1.00 24.31 N ATOM 408 CA ASN A 24 -9.871 -12.392 8.002 1.00 25.22 C ATOM 409 C ASN A 24 -10.236 -11.047 8.659 1.00 52.11 C ATOM 410 O ASN A 24 -11.075 -11.010 9.566 1.00 65.10 O ATOM 411 CB ASN A 24 -8.947 -13.218 8.936 1.00 40.21 C ATOM 412 CG ASN A 24 -8.744 -14.662 8.459 1.00 54.42 C ATOM 413 OD1 ASN A 24 -9.569 -15.538 8.716 1.00 71.30 O ATOM 414 ND2 ASN A 24 -7.638 -14.933 7.793 1.00 54.52 N ATOM 0 H ASN A 24 -8.249 -12.356 6.664 1.00 24.31 H new ATOM 0 HA ASN A 24 -10.790 -12.957 7.848 1.00 25.22 H new ATOM 0 HB2 ASN A 24 -7.977 -12.725 9.006 1.00 40.21 H new ATOM 0 HB3 ASN A 24 -9.372 -13.230 9.940 1.00 40.21 H new ATOM 0 HD21 ASN A 24 -7.452 -15.886 7.479 1.00 54.52 H new ATOM 0 HD22 ASN A 24 -6.969 -14.190 7.592 1.00 54.52 H new ATOM 421 N GLN A 25 -9.602 -9.944 8.205 1.00 72.34 N ATOM 422 CA GLN A 25 -9.965 -8.587 8.664 1.00 32.43 C ATOM 423 C GLN A 25 -11.203 -8.075 7.901 1.00 62.22 C ATOM 424 O GLN A 25 -11.840 -7.112 8.329 1.00 44.15 O ATOM 425 CB GLN A 25 -8.777 -7.586 8.519 1.00 34.50 C ATOM 426 CG GLN A 25 -7.430 -8.044 9.141 1.00 1.02 C ATOM 427 CD GLN A 25 -7.444 -8.359 10.649 1.00 1.51 C ATOM 428 OE1 GLN A 25 -8.449 -8.785 11.222 1.00 2.01 O ATOM 429 NE2 GLN A 25 -6.301 -8.185 11.301 1.00 70.44 N ATOM 0 H GLN A 25 -8.841 -9.967 7.526 1.00 72.34 H new ATOM 0 HA GLN A 25 -10.206 -8.652 9.725 1.00 32.43 H new ATOM 0 HB2 GLN A 25 -8.618 -7.390 7.458 1.00 34.50 H new ATOM 0 HB3 GLN A 25 -9.065 -6.640 8.978 1.00 34.50 H new ATOM 0 HG2 GLN A 25 -7.093 -8.934 8.609 1.00 1.02 H new ATOM 0 HG3 GLN A 25 -6.689 -7.266 8.961 1.00 1.02 H new ATOM 0 HE21 GLN A 25 -5.481 -7.831 10.808 1.00 70.44 H new ATOM 0 HE22 GLN A 25 -6.242 -8.405 12.295 1.00 70.44 H new ATOM 438 N GLY A 26 -11.521 -8.725 6.766 1.00 22.42 N ATOM 439 CA GLY A 26 -12.722 -8.418 5.986 1.00 74.34 C ATOM 440 C GLY A 26 -12.593 -7.163 5.132 1.00 50.32 C ATOM 441 O GLY A 26 -13.590 -6.493 4.859 1.00 23.13 O ATOM 0 H GLY A 26 -10.952 -9.473 6.370 1.00 22.42 H new ATOM 0 HA2 GLY A 26 -12.951 -9.265 5.339 1.00 74.34 H new ATOM 0 HA3 GLY A 26 -13.566 -8.299 6.666 1.00 74.34 H new ATOM 445 N TYR A 27 -11.354 -6.841 4.727 1.00 65.22 N ATOM 446 CA TYR A 27 -11.065 -5.722 3.801 1.00 61.45 C ATOM 447 C TYR A 27 -10.947 -6.252 2.363 1.00 14.34 C ATOM 448 O TYR A 27 -10.816 -7.465 2.141 1.00 71.43 O ATOM 449 CB TYR A 27 -9.755 -4.994 4.194 1.00 62.05 C ATOM 450 CG TYR A 27 -9.801 -4.113 5.447 1.00 62.14 C ATOM 451 CD1 TYR A 27 -10.348 -4.570 6.649 1.00 50.50 C ATOM 452 CD2 TYR A 27 -9.278 -2.817 5.426 1.00 3.11 C ATOM 453 CE1 TYR A 27 -10.377 -3.770 7.774 1.00 42.13 C ATOM 454 CE2 TYR A 27 -9.305 -2.020 6.544 1.00 72.43 C ATOM 455 CZ TYR A 27 -9.856 -2.496 7.715 1.00 44.21 C ATOM 456 OH TYR A 27 -9.886 -1.691 8.832 1.00 64.11 O ATOM 0 H TYR A 27 -10.521 -7.346 5.029 1.00 65.22 H new ATOM 0 HA TYR A 27 -11.887 -5.009 3.865 1.00 61.45 H new ATOM 0 HB2 TYR A 27 -8.979 -5.746 4.336 1.00 62.05 H new ATOM 0 HB3 TYR A 27 -9.447 -4.372 3.353 1.00 62.05 H new ATOM 0 HD1 TYR A 27 -10.756 -5.569 6.699 1.00 50.50 H new ATOM 0 HD2 TYR A 27 -8.845 -2.435 4.513 1.00 3.11 H new ATOM 0 HE1 TYR A 27 -10.805 -4.140 8.694 1.00 42.13 H new ATOM 0 HE2 TYR A 27 -8.895 -1.022 6.506 1.00 72.43 H new ATOM 0 HH TYR A 27 -9.153 -1.938 9.433 1.00 64.11 H new ATOM 466 N GLN A 28 -10.977 -5.320 1.396 1.00 53.00 N ATOM 467 CA GLN A 28 -10.887 -5.629 -0.039 1.00 62.24 C ATOM 468 C GLN A 28 -9.398 -5.678 -0.425 1.00 60.11 C ATOM 469 O GLN A 28 -8.714 -4.662 -0.320 1.00 62.45 O ATOM 470 CB GLN A 28 -11.629 -4.547 -0.897 1.00 54.11 C ATOM 471 CG GLN A 28 -13.121 -4.284 -0.540 1.00 61.04 C ATOM 472 CD GLN A 28 -13.328 -3.484 0.764 1.00 24.35 C ATOM 473 OE1 GLN A 28 -13.300 -2.164 0.668 1.00 15.04 O flip ATOM 474 NE2 GLN A 28 -13.495 -4.048 1.848 1.00 14.11 N flip ATOM 0 H GLN A 28 -11.065 -4.323 1.591 1.00 53.00 H new ATOM 0 HA GLN A 28 -11.365 -6.589 -0.235 1.00 62.24 H new ATOM 0 HB2 GLN A 28 -11.085 -3.607 -0.806 1.00 54.11 H new ATOM 0 HB3 GLN A 28 -11.576 -4.846 -1.944 1.00 54.11 H new ATOM 0 HG2 GLN A 28 -13.590 -3.744 -1.363 1.00 61.04 H new ATOM 0 HG3 GLN A 28 -13.636 -5.241 -0.452 1.00 61.04 H new ATOM 0 HE21 GLN A 28 -13.513 -5.067 1.895 1.00 14.11 H new ATOM 0 HE22 GLN A 28 -13.615 -3.496 2.697 1.00 14.11 H new ATOM 483 N VAL A 29 -8.892 -6.855 -0.830 1.00 23.50 N ATOM 484 CA VAL A 29 -7.462 -7.042 -1.163 1.00 43.31 C ATOM 485 C VAL A 29 -7.268 -7.116 -2.684 1.00 4.11 C ATOM 486 O VAL A 29 -7.757 -8.053 -3.322 1.00 54.23 O ATOM 487 CB VAL A 29 -6.866 -8.350 -0.518 1.00 53.35 C ATOM 488 CG1 VAL A 29 -5.325 -8.397 -0.682 1.00 30.20 C ATOM 489 CG2 VAL A 29 -7.272 -8.481 0.962 1.00 11.50 C ATOM 0 H VAL A 29 -9.454 -7.700 -0.937 1.00 23.50 H new ATOM 0 HA VAL A 29 -6.933 -6.181 -0.755 1.00 43.31 H new ATOM 0 HB VAL A 29 -7.286 -9.203 -1.050 1.00 53.35 H new ATOM 0 HG11 VAL A 29 -4.938 -9.310 -0.228 1.00 30.20 H new ATOM 0 HG12 VAL A 29 -5.071 -8.383 -1.742 1.00 30.20 H new ATOM 0 HG13 VAL A 29 -4.880 -7.531 -0.191 1.00 30.20 H new ATOM 0 HG21 VAL A 29 -6.845 -9.394 1.377 1.00 11.50 H new ATOM 0 HG22 VAL A 29 -6.901 -7.621 1.519 1.00 11.50 H new ATOM 0 HG23 VAL A 29 -8.359 -8.521 1.039 1.00 11.50 H new ATOM 499 N ARG A 30 -6.575 -6.120 -3.258 1.00 33.22 N ATOM 500 CA ARG A 30 -6.126 -6.155 -4.668 1.00 74.51 C ATOM 501 C ARG A 30 -4.619 -5.908 -4.704 1.00 51.44 C ATOM 502 O ARG A 30 -4.125 -5.032 -4.000 1.00 42.33 O ATOM 503 CB ARG A 30 -6.844 -5.093 -5.563 1.00 62.14 C ATOM 504 CG ARG A 30 -8.391 -5.224 -5.623 1.00 3.24 C ATOM 505 CD ARG A 30 -9.128 -4.440 -4.515 1.00 21.34 C ATOM 506 NE ARG A 30 -9.383 -3.037 -4.900 1.00 43.41 N ATOM 507 CZ ARG A 30 -10.596 -2.448 -4.901 1.00 45.01 C ATOM 508 NH1 ARG A 30 -11.683 -3.135 -4.538 1.00 44.10 N ATOM 509 NH2 ARG A 30 -10.710 -1.173 -5.256 1.00 11.43 N ATOM 0 H ARG A 30 -6.308 -5.268 -2.764 1.00 33.22 H new ATOM 0 HA ARG A 30 -6.380 -7.135 -5.072 1.00 74.51 H new ATOM 0 HB2 ARG A 30 -6.593 -4.099 -5.194 1.00 62.14 H new ATOM 0 HB3 ARG A 30 -6.448 -5.166 -6.576 1.00 62.14 H new ATOM 0 HG2 ARG A 30 -8.738 -4.874 -6.595 1.00 3.24 H new ATOM 0 HG3 ARG A 30 -8.660 -6.278 -5.549 1.00 3.24 H new ATOM 0 HD2 ARG A 30 -10.075 -4.932 -4.293 1.00 21.34 H new ATOM 0 HD3 ARG A 30 -8.535 -4.462 -3.601 1.00 21.34 H new ATOM 0 HE ARG A 30 -8.583 -2.472 -5.186 1.00 43.41 H new ATOM 0 HH11 ARG A 30 -11.599 -4.112 -4.257 1.00 44.10 H new ATOM 0 HH12 ARG A 30 -12.597 -2.682 -4.541 1.00 44.10 H new ATOM 0 HH21 ARG A 30 -9.882 -0.643 -5.527 1.00 11.43 H new ATOM 0 HH22 ARG A 30 -11.626 -0.724 -5.258 1.00 11.43 H new ATOM 523 N ASP A 31 -3.883 -6.690 -5.501 1.00 43.32 N ATOM 524 CA ASP A 31 -2.454 -6.449 -5.742 1.00 40.33 C ATOM 525 C ASP A 31 -2.269 -6.072 -7.221 1.00 54.12 C ATOM 526 O ASP A 31 -2.589 -6.843 -8.134 1.00 73.20 O ATOM 527 CB ASP A 31 -1.583 -7.673 -5.325 1.00 55.13 C ATOM 528 CG ASP A 31 -1.794 -8.938 -6.171 1.00 33.15 C ATOM 529 OD1 ASP A 31 -2.940 -9.427 -6.259 1.00 14.34 O ATOM 530 OD2 ASP A 31 -0.817 -9.463 -6.736 1.00 45.24 O ATOM 0 H ASP A 31 -4.256 -7.501 -5.994 1.00 43.32 H new ATOM 0 HA ASP A 31 -2.109 -5.623 -5.120 1.00 40.33 H new ATOM 0 HB2 ASP A 31 -0.532 -7.388 -5.380 1.00 55.13 H new ATOM 0 HB3 ASP A 31 -1.794 -7.912 -4.283 1.00 55.13 H new ATOM 535 N VAL A 32 -1.812 -4.842 -7.432 1.00 63.15 N ATOM 536 CA VAL A 32 -1.565 -4.278 -8.755 1.00 30.11 C ATOM 537 C VAL A 32 -0.143 -4.650 -9.209 1.00 21.01 C ATOM 538 O VAL A 32 0.836 -4.353 -8.520 1.00 53.42 O ATOM 539 CB VAL A 32 -1.757 -2.721 -8.718 1.00 11.41 C ATOM 540 CG1 VAL A 32 -1.327 -2.058 -10.044 1.00 22.34 C ATOM 541 CG2 VAL A 32 -3.226 -2.362 -8.357 1.00 41.11 C ATOM 0 H VAL A 32 -1.598 -4.196 -6.672 1.00 63.15 H new ATOM 0 HA VAL A 32 -2.278 -4.688 -9.470 1.00 30.11 H new ATOM 0 HB VAL A 32 -1.106 -2.324 -7.939 1.00 11.41 H new ATOM 0 HG11 VAL A 32 -1.476 -0.980 -9.977 1.00 22.34 H new ATOM 0 HG12 VAL A 32 -0.274 -2.268 -10.231 1.00 22.34 H new ATOM 0 HG13 VAL A 32 -1.927 -2.457 -10.862 1.00 22.34 H new ATOM 0 HG21 VAL A 32 -3.341 -1.278 -8.336 1.00 41.11 H new ATOM 0 HG22 VAL A 32 -3.898 -2.784 -9.105 1.00 41.11 H new ATOM 0 HG23 VAL A 32 -3.470 -2.772 -7.377 1.00 41.11 H new ATOM 551 N ASN A 33 -0.050 -5.326 -10.363 1.00 35.32 N ATOM 552 CA ASN A 33 1.237 -5.756 -10.959 1.00 63.24 C ATOM 553 C ASN A 33 1.499 -5.025 -12.294 1.00 22.52 C ATOM 554 O ASN A 33 2.522 -5.269 -12.946 1.00 70.34 O ATOM 555 CB ASN A 33 1.237 -7.296 -11.156 1.00 13.41 C ATOM 556 CG ASN A 33 1.015 -8.062 -9.844 1.00 73.41 C ATOM 557 OD1 ASN A 33 -0.237 -8.308 -9.501 1.00 41.41 O flip ATOM 558 ND2 ASN A 33 1.960 -8.413 -9.135 1.00 5.15 N flip ATOM 0 H ASN A 33 -0.864 -5.594 -10.916 1.00 35.32 H new ATOM 0 HA ASN A 33 2.045 -5.492 -10.277 1.00 63.24 H new ATOM 0 HB2 ASN A 33 0.456 -7.567 -11.867 1.00 13.41 H new ATOM 0 HB3 ASN A 33 2.187 -7.602 -11.594 1.00 13.41 H new ATOM 0 HD21 ASN A 33 2.917 -8.210 -9.424 1.00 5.15 H new ATOM 0 HD22 ASN A 33 1.785 -8.906 -8.260 1.00 5.15 H new ATOM 565 N ASP A 34 0.584 -4.102 -12.666 1.00 51.53 N ATOM 566 CA ASP A 34 0.670 -3.318 -13.919 1.00 25.10 C ATOM 567 C ASP A 34 -0.220 -2.061 -13.819 1.00 71.52 C ATOM 568 O ASP A 34 -1.243 -2.080 -13.129 1.00 71.31 O ATOM 569 CB ASP A 34 0.246 -4.195 -15.131 1.00 64.31 C ATOM 570 CG ASP A 34 0.435 -3.493 -16.491 1.00 64.31 C ATOM 571 OD1 ASP A 34 1.563 -3.501 -17.022 1.00 13.34 O ATOM 572 OD2 ASP A 34 -0.532 -2.911 -17.017 1.00 34.41 O ATOM 0 H ASP A 34 -0.237 -3.879 -12.104 1.00 51.53 H new ATOM 0 HA ASP A 34 1.702 -3.001 -14.069 1.00 25.10 H new ATOM 0 HB2 ASP A 34 0.826 -5.118 -15.123 1.00 64.31 H new ATOM 0 HB3 ASP A 34 -0.801 -4.476 -15.018 1.00 64.31 H new ATOM 577 N SER A 35 0.153 -0.989 -14.552 1.00 41.02 N ATOM 578 CA SER A 35 -0.528 0.328 -14.498 1.00 14.35 C ATOM 579 C SER A 35 -2.000 0.271 -14.962 1.00 71.04 C ATOM 580 O SER A 35 -2.810 1.129 -14.583 1.00 71.44 O ATOM 581 CB SER A 35 0.240 1.352 -15.351 1.00 75.43 C ATOM 582 OG SER A 35 1.571 1.515 -14.897 1.00 41.43 O ATOM 0 H SER A 35 0.939 -1.011 -15.202 1.00 41.02 H new ATOM 0 HA SER A 35 -0.534 0.632 -13.451 1.00 14.35 H new ATOM 0 HB2 SER A 35 0.247 1.027 -16.391 1.00 75.43 H new ATOM 0 HB3 SER A 35 -0.276 2.312 -15.320 1.00 75.43 H new ATOM 0 HG SER A 35 1.596 2.199 -14.196 1.00 41.43 H new ATOM 588 N ASP A 36 -2.342 -0.765 -15.753 1.00 44.35 N ATOM 589 CA ASP A 36 -3.692 -0.936 -16.315 1.00 53.55 C ATOM 590 C ASP A 36 -4.675 -1.376 -15.214 1.00 35.35 C ATOM 591 O ASP A 36 -5.875 -1.097 -15.285 1.00 10.11 O ATOM 592 CB ASP A 36 -3.659 -1.962 -17.477 1.00 63.32 C ATOM 593 CG ASP A 36 -5.023 -2.185 -18.153 1.00 12.42 C ATOM 594 OD1 ASP A 36 -5.546 -1.240 -18.785 1.00 2.22 O ATOM 595 OD2 ASP A 36 -5.583 -3.298 -18.053 1.00 1.01 O ATOM 0 H ASP A 36 -1.691 -1.504 -16.018 1.00 44.35 H new ATOM 0 HA ASP A 36 -4.036 0.018 -16.714 1.00 53.55 H new ATOM 0 HB2 ASP A 36 -2.944 -1.623 -18.227 1.00 63.32 H new ATOM 0 HB3 ASP A 36 -3.293 -2.916 -17.096 1.00 63.32 H new ATOM 600 N GLU A 37 -4.140 -2.047 -14.185 1.00 51.35 N ATOM 601 CA GLU A 37 -4.923 -2.555 -13.050 1.00 34.32 C ATOM 602 C GLU A 37 -5.325 -1.417 -12.094 1.00 4.53 C ATOM 603 O GLU A 37 -6.496 -1.310 -11.714 1.00 62.01 O ATOM 604 CB GLU A 37 -4.112 -3.637 -12.291 1.00 33.31 C ATOM 605 CG GLU A 37 -3.582 -4.778 -13.181 1.00 71.42 C ATOM 606 CD GLU A 37 -4.697 -5.588 -13.876 1.00 43.24 C ATOM 607 OE1 GLU A 37 -5.126 -5.207 -14.993 1.00 54.20 O ATOM 608 OE2 GLU A 37 -5.162 -6.596 -13.303 1.00 13.12 O ATOM 0 H GLU A 37 -3.144 -2.254 -14.116 1.00 51.35 H new ATOM 0 HA GLU A 37 -5.838 -3.001 -13.439 1.00 34.32 H new ATOM 0 HB2 GLU A 37 -3.268 -3.159 -11.794 1.00 33.31 H new ATOM 0 HB3 GLU A 37 -4.741 -4.064 -11.510 1.00 33.31 H new ATOM 0 HG2 GLU A 37 -2.922 -4.359 -13.940 1.00 71.42 H new ATOM 0 HG3 GLU A 37 -2.980 -5.453 -12.572 1.00 71.42 H new ATOM 615 N LEU A 38 -4.344 -0.553 -11.726 1.00 15.11 N ATOM 616 CA LEU A 38 -4.560 0.506 -10.716 1.00 0.42 C ATOM 617 C LEU A 38 -5.594 1.542 -11.195 1.00 71.54 C ATOM 618 O LEU A 38 -6.467 1.942 -10.428 1.00 21.11 O ATOM 619 CB LEU A 38 -3.202 1.162 -10.273 1.00 42.21 C ATOM 620 CG LEU A 38 -2.310 1.905 -11.351 1.00 12.14 C ATOM 621 CD1 LEU A 38 -2.749 3.369 -11.599 1.00 65.23 C ATOM 622 CD2 LEU A 38 -0.815 1.864 -10.967 1.00 14.30 C ATOM 0 H LEU A 38 -3.401 -0.572 -12.114 1.00 15.11 H new ATOM 0 HA LEU A 38 -4.983 0.039 -9.827 1.00 0.42 H new ATOM 0 HB2 LEU A 38 -3.427 1.879 -9.484 1.00 42.21 H new ATOM 0 HB3 LEU A 38 -2.590 0.378 -9.826 1.00 42.21 H new ATOM 0 HG LEU A 38 -2.457 1.360 -12.283 1.00 12.14 H new ATOM 0 HD11 LEU A 38 -2.099 3.822 -12.347 1.00 65.23 H new ATOM 0 HD12 LEU A 38 -3.779 3.385 -11.956 1.00 65.23 H new ATOM 0 HD13 LEU A 38 -2.679 3.932 -10.669 1.00 65.23 H new ATOM 0 HD21 LEU A 38 -0.230 2.382 -11.727 1.00 14.30 H new ATOM 0 HD22 LEU A 38 -0.673 2.353 -10.003 1.00 14.30 H new ATOM 0 HD23 LEU A 38 -0.485 0.827 -10.899 1.00 14.30 H new ATOM 634 N LYS A 39 -5.523 1.906 -12.494 1.00 33.12 N ATOM 635 CA LYS A 39 -6.364 2.981 -13.067 1.00 2.53 C ATOM 636 C LYS A 39 -7.862 2.627 -13.005 1.00 52.21 C ATOM 637 O LYS A 39 -8.690 3.524 -12.878 1.00 0.22 O ATOM 638 CB LYS A 39 -5.944 3.312 -14.520 1.00 73.50 C ATOM 639 CG LYS A 39 -6.095 2.149 -15.530 1.00 54.40 C ATOM 640 CD LYS A 39 -5.643 2.527 -16.962 1.00 20.55 C ATOM 641 CE LYS A 39 -4.171 2.967 -17.025 1.00 44.04 C ATOM 642 NZ LYS A 39 -3.750 3.329 -18.397 1.00 45.30 N ATOM 0 H LYS A 39 -4.891 1.471 -13.166 1.00 33.12 H new ATOM 0 HA LYS A 39 -6.205 3.869 -12.455 1.00 2.53 H new ATOM 0 HB2 LYS A 39 -6.539 4.156 -14.870 1.00 73.50 H new ATOM 0 HB3 LYS A 39 -4.903 3.636 -14.516 1.00 73.50 H new ATOM 0 HG2 LYS A 39 -5.510 1.297 -15.184 1.00 54.40 H new ATOM 0 HG3 LYS A 39 -7.137 1.831 -15.556 1.00 54.40 H new ATOM 0 HD2 LYS A 39 -5.791 1.672 -17.622 1.00 20.55 H new ATOM 0 HD3 LYS A 39 -6.275 3.332 -17.337 1.00 20.55 H new ATOM 0 HE2 LYS A 39 -4.021 3.821 -16.364 1.00 44.04 H new ATOM 0 HE3 LYS A 39 -3.537 2.162 -16.654 1.00 44.04 H new ATOM 0 HZ1 LYS A 39 -2.751 3.619 -18.389 1.00 45.30 H new ATOM 0 HZ2 LYS A 39 -3.867 2.508 -19.024 1.00 45.30 H new ATOM 0 HZ3 LYS A 39 -4.336 4.115 -18.744 1.00 45.30 H new ATOM 656 N LYS A 40 -8.177 1.312 -13.077 1.00 23.13 N ATOM 657 CA LYS A 40 -9.560 0.796 -12.964 1.00 63.03 C ATOM 658 C LYS A 40 -10.197 1.271 -11.644 1.00 32.23 C ATOM 659 O LYS A 40 -11.214 1.969 -11.630 1.00 42.32 O ATOM 660 CB LYS A 40 -9.574 -0.760 -12.972 1.00 22.03 C ATOM 661 CG LYS A 40 -9.019 -1.454 -14.236 1.00 34.21 C ATOM 662 CD LYS A 40 -9.026 -2.998 -14.073 1.00 24.45 C ATOM 663 CE LYS A 40 -8.653 -3.746 -15.359 1.00 23.13 C ATOM 664 NZ LYS A 40 -7.269 -3.449 -15.812 1.00 41.50 N ATOM 0 H LYS A 40 -7.480 0.581 -13.215 1.00 23.13 H new ATOM 0 HA LYS A 40 -10.123 1.174 -13.817 1.00 63.03 H new ATOM 0 HB2 LYS A 40 -9.001 -1.110 -12.113 1.00 22.03 H new ATOM 0 HB3 LYS A 40 -10.602 -1.091 -12.826 1.00 22.03 H new ATOM 0 HG2 LYS A 40 -9.619 -1.174 -15.102 1.00 34.21 H new ATOM 0 HG3 LYS A 40 -8.003 -1.110 -14.427 1.00 34.21 H new ATOM 0 HD2 LYS A 40 -8.328 -3.276 -13.284 1.00 24.45 H new ATOM 0 HD3 LYS A 40 -10.017 -3.318 -13.749 1.00 24.45 H new ATOM 0 HE2 LYS A 40 -8.755 -4.819 -15.194 1.00 23.13 H new ATOM 0 HE3 LYS A 40 -9.355 -3.477 -16.148 1.00 23.13 H new ATOM 0 HZ1 LYS A 40 -7.235 -3.457 -16.851 1.00 41.50 H new ATOM 0 HZ2 LYS A 40 -6.983 -2.512 -15.463 1.00 41.50 H new ATOM 0 HZ3 LYS A 40 -6.619 -4.170 -15.439 1.00 41.50 H new ATOM 678 N GLU A 41 -9.518 0.908 -10.546 1.00 52.43 N ATOM 679 CA GLU A 41 -10.049 1.059 -9.186 1.00 51.42 C ATOM 680 C GLU A 41 -9.854 2.483 -8.627 1.00 0.22 C ATOM 681 O GLU A 41 -10.631 2.909 -7.774 1.00 15.01 O ATOM 682 CB GLU A 41 -9.429 0.016 -8.246 1.00 44.02 C ATOM 683 CG GLU A 41 -7.905 0.140 -8.044 1.00 11.35 C ATOM 684 CD GLU A 41 -7.424 -0.677 -6.853 1.00 3.00 C ATOM 685 OE1 GLU A 41 -7.906 -0.388 -5.733 1.00 31.40 O ATOM 686 OE2 GLU A 41 -6.623 -1.628 -7.028 1.00 3.22 O ATOM 0 H GLU A 41 -8.583 0.501 -10.578 1.00 52.43 H new ATOM 0 HA GLU A 41 -11.124 0.889 -9.244 1.00 51.42 H new ATOM 0 HB2 GLU A 41 -9.916 0.091 -7.274 1.00 44.02 H new ATOM 0 HB3 GLU A 41 -9.648 -0.978 -8.636 1.00 44.02 H new ATOM 0 HG2 GLU A 41 -7.391 -0.194 -8.945 1.00 11.35 H new ATOM 0 HG3 GLU A 41 -7.642 1.187 -7.896 1.00 11.35 H new ATOM 693 N MET A 42 -8.815 3.210 -9.104 1.00 55.31 N ATOM 694 CA MET A 42 -8.595 4.629 -8.726 1.00 3.03 C ATOM 695 C MET A 42 -9.808 5.479 -9.161 1.00 14.34 C ATOM 696 O MET A 42 -10.238 6.392 -8.445 1.00 31.21 O ATOM 697 CB MET A 42 -7.295 5.195 -9.368 1.00 4.41 C ATOM 698 CG MET A 42 -5.963 4.591 -8.871 1.00 1.50 C ATOM 699 SD MET A 42 -5.588 4.960 -7.137 1.00 40.05 S ATOM 700 CE MET A 42 -6.123 3.468 -6.291 1.00 54.44 C ATOM 0 H MET A 42 -8.117 2.839 -9.749 1.00 55.31 H new ATOM 0 HA MET A 42 -8.482 4.676 -7.643 1.00 3.03 H new ATOM 0 HB2 MET A 42 -7.355 5.048 -10.446 1.00 4.41 H new ATOM 0 HB3 MET A 42 -7.268 6.271 -9.193 1.00 4.41 H new ATOM 0 HG2 MET A 42 -5.995 3.509 -9.003 1.00 1.50 H new ATOM 0 HG3 MET A 42 -5.151 4.965 -9.495 1.00 1.50 H new ATOM 0 HE1 MET A 42 -6.300 3.690 -5.239 1.00 54.44 H new ATOM 0 HE2 MET A 42 -7.045 3.103 -6.745 1.00 54.44 H new ATOM 0 HE3 MET A 42 -5.350 2.704 -6.376 1.00 54.44 H new ATOM 710 N LYS A 43 -10.343 5.149 -10.355 1.00 3.31 N ATOM 711 CA LYS A 43 -11.592 5.727 -10.873 1.00 64.20 C ATOM 712 C LYS A 43 -12.787 5.315 -9.984 1.00 72.43 C ATOM 713 O LYS A 43 -13.621 6.150 -9.619 1.00 73.41 O ATOM 714 CB LYS A 43 -11.828 5.257 -12.332 1.00 54.32 C ATOM 715 CG LYS A 43 -10.795 5.769 -13.360 1.00 50.13 C ATOM 716 CD LYS A 43 -10.997 5.145 -14.765 1.00 74.12 C ATOM 717 CE LYS A 43 -12.377 5.453 -15.372 1.00 42.43 C ATOM 718 NZ LYS A 43 -12.572 4.786 -16.687 1.00 73.34 N ATOM 0 H LYS A 43 -9.916 4.471 -10.986 1.00 3.31 H new ATOM 0 HA LYS A 43 -11.506 6.814 -10.858 1.00 64.20 H new ATOM 0 HB2 LYS A 43 -11.827 4.167 -12.351 1.00 54.32 H new ATOM 0 HB3 LYS A 43 -12.821 5.580 -12.646 1.00 54.32 H new ATOM 0 HG2 LYS A 43 -10.868 6.854 -13.434 1.00 50.13 H new ATOM 0 HG3 LYS A 43 -9.790 5.540 -13.005 1.00 50.13 H new ATOM 0 HD2 LYS A 43 -10.221 5.516 -15.435 1.00 74.12 H new ATOM 0 HD3 LYS A 43 -10.870 4.065 -14.697 1.00 74.12 H new ATOM 0 HE2 LYS A 43 -13.156 5.128 -14.682 1.00 42.43 H new ATOM 0 HE3 LYS A 43 -12.487 6.531 -15.493 1.00 42.43 H new ATOM 0 HZ1 LYS A 43 -13.514 5.021 -17.059 1.00 73.34 H new ATOM 0 HZ2 LYS A 43 -11.845 5.114 -17.354 1.00 73.34 H new ATOM 0 HZ3 LYS A 43 -12.493 3.756 -16.569 1.00 73.34 H new ATOM 732 N LYS A 44 -12.845 4.017 -9.641 1.00 12.23 N ATOM 733 CA LYS A 44 -13.927 3.443 -8.813 1.00 53.41 C ATOM 734 C LYS A 44 -13.980 4.051 -7.392 1.00 22.31 C ATOM 735 O LYS A 44 -15.035 4.041 -6.773 1.00 33.01 O ATOM 736 CB LYS A 44 -13.796 1.898 -8.728 1.00 11.11 C ATOM 737 CG LYS A 44 -13.971 1.147 -10.068 1.00 20.02 C ATOM 738 CD LYS A 44 -15.348 1.374 -10.731 1.00 32.41 C ATOM 739 CE LYS A 44 -16.537 0.986 -9.828 1.00 1.22 C ATOM 740 NZ LYS A 44 -16.431 -0.400 -9.295 1.00 74.50 N ATOM 0 H LYS A 44 -12.145 3.334 -9.928 1.00 12.23 H new ATOM 0 HA LYS A 44 -14.864 3.699 -9.308 1.00 53.41 H new ATOM 0 HB2 LYS A 44 -12.815 1.655 -8.319 1.00 11.11 H new ATOM 0 HB3 LYS A 44 -14.537 1.525 -8.021 1.00 11.11 H new ATOM 0 HG2 LYS A 44 -13.189 1.465 -10.757 1.00 20.02 H new ATOM 0 HG3 LYS A 44 -13.831 0.080 -9.897 1.00 20.02 H new ATOM 0 HD2 LYS A 44 -15.440 2.424 -11.008 1.00 32.41 H new ATOM 0 HD3 LYS A 44 -15.398 0.795 -11.653 1.00 32.41 H new ATOM 0 HE2 LYS A 44 -16.598 1.687 -8.995 1.00 1.22 H new ATOM 0 HE3 LYS A 44 -17.463 1.082 -10.394 1.00 1.22 H new ATOM 0 HZ1 LYS A 44 -17.345 -0.885 -9.404 1.00 74.50 H new ATOM 0 HZ2 LYS A 44 -15.699 -0.919 -9.821 1.00 74.50 H new ATOM 0 HZ3 LYS A 44 -16.175 -0.366 -8.288 1.00 74.50 H new ATOM 754 N LEU A 45 -12.845 4.562 -6.878 1.00 4.42 N ATOM 755 CA LEU A 45 -12.809 5.251 -5.566 1.00 12.13 C ATOM 756 C LEU A 45 -13.538 6.609 -5.646 1.00 61.15 C ATOM 757 O LEU A 45 -14.191 7.032 -4.687 1.00 15.10 O ATOM 758 CB LEU A 45 -11.352 5.460 -5.079 1.00 64.32 C ATOM 759 CG LEU A 45 -10.496 4.177 -4.849 1.00 75.50 C ATOM 760 CD1 LEU A 45 -9.086 4.534 -4.341 1.00 73.12 C ATOM 761 CD2 LEU A 45 -11.204 3.185 -3.904 1.00 15.24 C ATOM 0 H LEU A 45 -11.941 4.513 -7.347 1.00 4.42 H new ATOM 0 HA LEU A 45 -13.322 4.614 -4.845 1.00 12.13 H new ATOM 0 HB2 LEU A 45 -10.837 6.086 -5.808 1.00 64.32 H new ATOM 0 HB3 LEU A 45 -11.383 6.019 -4.144 1.00 64.32 H new ATOM 0 HG LEU A 45 -10.384 3.679 -5.812 1.00 75.50 H new ATOM 0 HD11 LEU A 45 -8.512 3.620 -4.189 1.00 73.12 H new ATOM 0 HD12 LEU A 45 -8.582 5.161 -5.076 1.00 73.12 H new ATOM 0 HD13 LEU A 45 -9.165 5.074 -3.397 1.00 73.12 H new ATOM 0 HD21 LEU A 45 -10.578 2.303 -3.767 1.00 15.24 H new ATOM 0 HD22 LEU A 45 -11.376 3.661 -2.939 1.00 15.24 H new ATOM 0 HD23 LEU A 45 -12.159 2.888 -4.337 1.00 15.24 H new ATOM 773 N ALA A 46 -13.421 7.271 -6.817 1.00 44.23 N ATOM 774 CA ALA A 46 -14.060 8.578 -7.087 1.00 61.20 C ATOM 775 C ALA A 46 -15.598 8.467 -7.136 1.00 52.05 C ATOM 776 O ALA A 46 -16.309 9.454 -6.907 1.00 13.21 O ATOM 777 CB ALA A 46 -13.533 9.153 -8.413 1.00 31.45 C ATOM 0 H ALA A 46 -12.879 6.914 -7.604 1.00 44.23 H new ATOM 0 HA ALA A 46 -13.803 9.249 -6.267 1.00 61.20 H new ATOM 0 HB1 ALA A 46 -14.007 10.115 -8.606 1.00 31.45 H new ATOM 0 HB2 ALA A 46 -12.453 9.287 -8.348 1.00 31.45 H new ATOM 0 HB3 ALA A 46 -13.765 8.465 -9.226 1.00 31.45 H new ATOM 783 N GLU A 47 -16.095 7.258 -7.451 1.00 64.14 N ATOM 784 CA GLU A 47 -17.535 6.988 -7.609 1.00 13.41 C ATOM 785 C GLU A 47 -18.118 6.344 -6.334 1.00 73.43 C ATOM 786 O GLU A 47 -19.066 6.866 -5.735 1.00 40.32 O ATOM 787 CB GLU A 47 -17.738 6.059 -8.831 1.00 20.10 C ATOM 788 CG GLU A 47 -17.227 6.652 -10.158 1.00 2.15 C ATOM 789 CD GLU A 47 -17.352 5.683 -11.342 1.00 2.53 C ATOM 790 OE1 GLU A 47 -18.425 5.644 -11.981 1.00 51.43 O ATOM 791 OE2 GLU A 47 -16.384 4.948 -11.634 1.00 12.20 O ATOM 0 H GLU A 47 -15.508 6.438 -7.604 1.00 64.14 H new ATOM 0 HA GLU A 47 -18.063 7.928 -7.772 1.00 13.41 H new ATOM 0 HB2 GLU A 47 -17.227 5.114 -8.646 1.00 20.10 H new ATOM 0 HB3 GLU A 47 -18.800 5.833 -8.931 1.00 20.10 H new ATOM 0 HG2 GLU A 47 -17.785 7.561 -10.381 1.00 2.15 H new ATOM 0 HG3 GLU A 47 -16.182 6.940 -10.041 1.00 2.15 H new ATOM 798 N GLU A 48 -17.512 5.222 -5.919 1.00 54.03 N ATOM 799 CA GLU A 48 -17.975 4.428 -4.769 1.00 42.02 C ATOM 800 C GLU A 48 -17.528 5.103 -3.464 1.00 32.32 C ATOM 801 O GLU A 48 -16.332 5.144 -3.153 1.00 25.43 O ATOM 802 CB GLU A 48 -17.418 2.980 -4.834 1.00 2.03 C ATOM 803 CG GLU A 48 -17.714 2.224 -6.138 1.00 40.33 C ATOM 804 CD GLU A 48 -17.214 0.769 -6.091 1.00 34.22 C ATOM 805 OE1 GLU A 48 -16.047 0.502 -6.458 1.00 71.05 O ATOM 806 OE2 GLU A 48 -17.989 -0.114 -5.667 1.00 42.03 O ATOM 0 H GLU A 48 -16.683 4.837 -6.373 1.00 54.03 H new ATOM 0 HA GLU A 48 -19.063 4.376 -4.799 1.00 42.02 H new ATOM 0 HB2 GLU A 48 -16.338 3.016 -4.691 1.00 2.03 H new ATOM 0 HB3 GLU A 48 -17.831 2.411 -4.001 1.00 2.03 H new ATOM 0 HG2 GLU A 48 -18.788 2.232 -6.325 1.00 40.33 H new ATOM 0 HG3 GLU A 48 -17.241 2.742 -6.972 1.00 40.33 H new ATOM 813 N LYS A 49 -18.491 5.689 -2.748 1.00 72.03 N ATOM 814 CA LYS A 49 -18.254 6.341 -1.452 1.00 52.24 C ATOM 815 C LYS A 49 -18.801 5.492 -0.288 1.00 52.51 C ATOM 816 O LYS A 49 -18.219 5.484 0.797 1.00 4.13 O ATOM 817 CB LYS A 49 -18.872 7.762 -1.461 1.00 21.03 C ATOM 818 CG LYS A 49 -18.273 8.689 -2.551 1.00 24.04 C ATOM 819 CD LYS A 49 -16.742 8.887 -2.394 1.00 31.24 C ATOM 820 CE LYS A 49 -16.111 9.661 -3.565 1.00 53.33 C ATOM 821 NZ LYS A 49 -16.669 11.031 -3.723 1.00 73.14 N ATOM 0 H LYS A 49 -19.464 5.726 -3.051 1.00 72.03 H new ATOM 0 HA LYS A 49 -17.179 6.432 -1.297 1.00 52.24 H new ATOM 0 HB2 LYS A 49 -19.948 7.681 -1.615 1.00 21.03 H new ATOM 0 HB3 LYS A 49 -18.724 8.221 -0.483 1.00 21.03 H new ATOM 0 HG2 LYS A 49 -18.482 8.268 -3.535 1.00 24.04 H new ATOM 0 HG3 LYS A 49 -18.767 9.660 -2.508 1.00 24.04 H new ATOM 0 HD2 LYS A 49 -16.544 9.421 -1.465 1.00 31.24 H new ATOM 0 HD3 LYS A 49 -16.262 7.912 -2.310 1.00 31.24 H new ATOM 0 HE2 LYS A 49 -15.034 9.729 -3.410 1.00 53.33 H new ATOM 0 HE3 LYS A 49 -16.266 9.103 -4.488 1.00 53.33 H new ATOM 0 HZ1 LYS A 49 -16.207 11.504 -4.526 1.00 73.14 H new ATOM 0 HZ2 LYS A 49 -17.692 10.971 -3.899 1.00 73.14 H new ATOM 0 HZ3 LYS A 49 -16.499 11.578 -2.855 1.00 73.14 H new ATOM 835 N ASN A 50 -19.911 4.765 -0.519 1.00 72.12 N ATOM 836 CA ASN A 50 -20.572 3.957 0.534 1.00 13.45 C ATOM 837 C ASN A 50 -19.977 2.531 0.581 1.00 45.44 C ATOM 838 O ASN A 50 -20.549 1.579 0.047 1.00 3.33 O ATOM 839 CB ASN A 50 -22.119 3.937 0.335 1.00 62.45 C ATOM 840 CG ASN A 50 -22.863 3.169 1.446 1.00 13.24 C ATOM 841 OD1 ASN A 50 -23.166 1.980 1.318 1.00 33.32 O ATOM 842 ND2 ASN A 50 -23.135 3.834 2.556 1.00 24.15 N ATOM 0 H ASN A 50 -20.373 4.718 -1.427 1.00 72.12 H new ATOM 0 HA ASN A 50 -20.379 4.424 1.500 1.00 13.45 H new ATOM 0 HB2 ASN A 50 -22.488 4.962 0.301 1.00 62.45 H new ATOM 0 HB3 ASN A 50 -22.349 3.483 -0.629 1.00 62.45 H new ATOM 0 HD21 ASN A 50 -23.605 3.364 3.330 1.00 24.15 H new ATOM 0 HD22 ASN A 50 -22.875 4.817 2.639 1.00 24.15 H new ATOM 849 N PHE A 51 -18.766 2.449 1.148 1.00 55.14 N ATOM 850 CA PHE A 51 -18.077 1.193 1.517 1.00 54.23 C ATOM 851 C PHE A 51 -16.786 1.563 2.261 1.00 32.34 C ATOM 852 O PHE A 51 -16.304 2.698 2.125 1.00 51.12 O ATOM 853 CB PHE A 51 -17.785 0.241 0.302 1.00 1.51 C ATOM 854 CG PHE A 51 -16.694 0.665 -0.696 1.00 14.43 C ATOM 855 CD1 PHE A 51 -16.495 1.997 -1.060 1.00 43.04 C ATOM 856 CD2 PHE A 51 -15.880 -0.302 -1.297 1.00 3.55 C ATOM 857 CE1 PHE A 51 -15.523 2.340 -1.973 1.00 63.14 C ATOM 858 CE2 PHE A 51 -14.910 0.052 -2.213 1.00 13.04 C ATOM 859 CZ PHE A 51 -14.737 1.375 -2.553 1.00 72.12 C ATOM 0 H PHE A 51 -18.216 3.279 1.372 1.00 55.14 H new ATOM 0 HA PHE A 51 -18.745 0.617 2.158 1.00 54.23 H new ATOM 0 HB2 PHE A 51 -17.513 -0.736 0.700 1.00 1.51 H new ATOM 0 HB3 PHE A 51 -18.714 0.112 -0.253 1.00 1.51 H new ATOM 0 HD1 PHE A 51 -17.110 2.768 -0.621 1.00 43.04 H new ATOM 0 HD2 PHE A 51 -16.013 -1.342 -1.040 1.00 3.55 H new ATOM 0 HE1 PHE A 51 -15.378 3.378 -2.235 1.00 63.14 H new ATOM 0 HE2 PHE A 51 -14.288 -0.708 -2.662 1.00 13.04 H new ATOM 0 HZ PHE A 51 -13.984 1.653 -3.275 1.00 72.12 H new ATOM 869 N GLU A 52 -16.230 0.625 3.042 1.00 62.33 N ATOM 870 CA GLU A 52 -15.014 0.893 3.834 1.00 45.23 C ATOM 871 C GLU A 52 -13.759 0.936 2.943 1.00 11.54 C ATOM 872 O GLU A 52 -13.804 0.615 1.742 1.00 63.12 O ATOM 873 CB GLU A 52 -14.835 -0.144 4.969 1.00 64.41 C ATOM 874 CG GLU A 52 -14.617 -1.594 4.510 1.00 54.40 C ATOM 875 CD GLU A 52 -14.349 -2.546 5.687 1.00 34.31 C ATOM 876 OE1 GLU A 52 -15.294 -2.820 6.467 1.00 54.10 O ATOM 877 OE2 GLU A 52 -13.200 -3.004 5.862 1.00 53.42 O ATOM 0 H GLU A 52 -16.598 -0.321 3.144 1.00 62.33 H new ATOM 0 HA GLU A 52 -15.141 1.875 4.290 1.00 45.23 H new ATOM 0 HB2 GLU A 52 -13.985 0.157 5.582 1.00 64.41 H new ATOM 0 HB3 GLU A 52 -15.717 -0.112 5.609 1.00 64.41 H new ATOM 0 HG2 GLU A 52 -15.496 -1.935 3.963 1.00 54.40 H new ATOM 0 HG3 GLU A 52 -13.776 -1.631 3.817 1.00 54.40 H new ATOM 884 N LYS A 53 -12.648 1.353 3.566 1.00 22.22 N ATOM 885 CA LYS A 53 -11.339 1.483 2.917 1.00 21.11 C ATOM 886 C LYS A 53 -10.781 0.140 2.409 1.00 10.33 C ATOM 887 O LYS A 53 -11.109 -0.942 2.919 1.00 23.44 O ATOM 888 CB LYS A 53 -10.306 2.178 3.837 1.00 24.54 C ATOM 889 CG LYS A 53 -9.956 1.477 5.179 1.00 24.22 C ATOM 890 CD LYS A 53 -11.008 1.721 6.291 1.00 21.53 C ATOM 891 CE LYS A 53 -10.568 1.172 7.648 1.00 23.34 C ATOM 892 NZ LYS A 53 -11.623 1.312 8.678 1.00 70.42 N ATOM 0 H LYS A 53 -12.635 1.614 4.552 1.00 22.22 H new ATOM 0 HA LYS A 53 -11.508 2.114 2.045 1.00 21.11 H new ATOM 0 HB2 LYS A 53 -9.382 2.303 3.272 1.00 24.54 H new ATOM 0 HB3 LYS A 53 -10.677 3.177 4.066 1.00 24.54 H new ATOM 0 HG2 LYS A 53 -9.861 0.405 5.007 1.00 24.22 H new ATOM 0 HG3 LYS A 53 -8.985 1.831 5.523 1.00 24.22 H new ATOM 0 HD2 LYS A 53 -11.196 2.791 6.380 1.00 21.53 H new ATOM 0 HD3 LYS A 53 -11.950 1.255 6.003 1.00 21.53 H new ATOM 0 HE2 LYS A 53 -10.302 0.120 7.543 1.00 23.34 H new ATOM 0 HE3 LYS A 53 -9.671 1.696 7.976 1.00 23.34 H new ATOM 0 HZ1 LYS A 53 -11.280 0.927 9.581 1.00 70.42 H new ATOM 0 HZ2 LYS A 53 -11.859 2.318 8.798 1.00 70.42 H new ATOM 0 HZ3 LYS A 53 -12.472 0.790 8.379 1.00 70.42 H new ATOM 906 N ILE A 54 -9.918 0.261 1.388 1.00 61.42 N ATOM 907 CA ILE A 54 -9.385 -0.862 0.606 1.00 42.20 C ATOM 908 C ILE A 54 -7.879 -1.054 0.920 1.00 61.33 C ATOM 909 O ILE A 54 -7.163 -0.075 1.188 1.00 15.53 O ATOM 910 CB ILE A 54 -9.576 -0.616 -0.953 1.00 74.02 C ATOM 911 CG1 ILE A 54 -11.071 -0.311 -1.342 1.00 5.34 C ATOM 912 CG2 ILE A 54 -9.057 -1.816 -1.768 1.00 62.12 C ATOM 913 CD1 ILE A 54 -11.561 1.087 -0.990 1.00 51.41 C ATOM 0 H ILE A 54 -9.564 1.166 1.077 1.00 61.42 H new ATOM 0 HA ILE A 54 -9.936 -1.760 0.883 1.00 42.20 H new ATOM 0 HB ILE A 54 -8.987 0.268 -1.197 1.00 74.02 H new ATOM 0 HG12 ILE A 54 -11.188 -0.460 -2.415 1.00 5.34 H new ATOM 0 HG13 ILE A 54 -11.714 -1.039 -0.847 1.00 5.34 H new ATOM 0 HG21 ILE A 54 -9.199 -1.623 -2.831 1.00 62.12 H new ATOM 0 HG22 ILE A 54 -7.996 -1.963 -1.565 1.00 62.12 H new ATOM 0 HG23 ILE A 54 -9.608 -2.713 -1.486 1.00 62.12 H new ATOM 0 HD11 ILE A 54 -12.601 1.197 -1.298 1.00 51.41 H new ATOM 0 HD12 ILE A 54 -11.484 1.239 0.087 1.00 51.41 H new ATOM 0 HD13 ILE A 54 -10.950 1.827 -1.506 1.00 51.41 H new ATOM 925 N LEU A 55 -7.416 -2.318 0.893 1.00 44.51 N ATOM 926 CA LEU A 55 -5.995 -2.669 1.034 1.00 54.41 C ATOM 927 C LEU A 55 -5.416 -3.097 -0.327 1.00 13.31 C ATOM 928 O LEU A 55 -5.901 -4.046 -0.960 1.00 62.24 O ATOM 929 CB LEU A 55 -5.797 -3.779 2.097 1.00 40.14 C ATOM 930 CG LEU A 55 -4.292 -4.157 2.416 1.00 14.11 C ATOM 931 CD1 LEU A 55 -4.031 -4.219 3.935 1.00 61.42 C ATOM 932 CD2 LEU A 55 -3.856 -5.468 1.714 1.00 43.12 C ATOM 0 H LEU A 55 -8.024 -3.128 0.772 1.00 44.51 H new ATOM 0 HA LEU A 55 -5.455 -1.787 1.377 1.00 54.41 H new ATOM 0 HB2 LEU A 55 -6.278 -3.461 3.022 1.00 40.14 H new ATOM 0 HB3 LEU A 55 -6.315 -4.677 1.760 1.00 40.14 H new ATOM 0 HG LEU A 55 -3.675 -3.357 2.008 1.00 14.11 H new ATOM 0 HD11 LEU A 55 -2.988 -4.481 4.115 1.00 61.42 H new ATOM 0 HD12 LEU A 55 -4.243 -3.247 4.381 1.00 61.42 H new ATOM 0 HD13 LEU A 55 -4.677 -4.973 4.385 1.00 61.42 H new ATOM 0 HD21 LEU A 55 -2.817 -5.686 1.963 1.00 43.12 H new ATOM 0 HD22 LEU A 55 -4.489 -6.289 2.050 1.00 43.12 H new ATOM 0 HD23 LEU A 55 -3.954 -5.353 0.635 1.00 43.12 H new ATOM 944 N ILE A 56 -4.389 -2.364 -0.774 1.00 34.20 N ATOM 945 CA ILE A 56 -3.684 -2.609 -2.044 1.00 32.33 C ATOM 946 C ILE A 56 -2.251 -3.072 -1.770 1.00 5.13 C ATOM 947 O ILE A 56 -1.655 -2.692 -0.767 1.00 2.43 O ATOM 948 CB ILE A 56 -3.681 -1.310 -2.950 1.00 1.01 C ATOM 949 CG1 ILE A 56 -5.142 -0.821 -3.175 1.00 41.03 C ATOM 950 CG2 ILE A 56 -2.964 -1.534 -4.313 1.00 32.34 C ATOM 951 CD1 ILE A 56 -6.068 -1.894 -3.714 1.00 15.25 C ATOM 0 H ILE A 56 -4.016 -1.569 -0.256 1.00 34.20 H new ATOM 0 HA ILE A 56 -4.212 -3.395 -2.583 1.00 32.33 H new ATOM 0 HB ILE A 56 -3.115 -0.543 -2.421 1.00 1.01 H new ATOM 0 HG12 ILE A 56 -5.541 -0.450 -2.231 1.00 41.03 H new ATOM 0 HG13 ILE A 56 -5.132 0.020 -3.869 1.00 41.03 H new ATOM 0 HG21 ILE A 56 -2.991 -0.612 -4.894 1.00 32.34 H new ATOM 0 HG22 ILE A 56 -1.927 -1.821 -4.136 1.00 32.34 H new ATOM 0 HG23 ILE A 56 -3.471 -2.326 -4.865 1.00 32.34 H new ATOM 0 HD11 ILE A 56 -7.068 -1.480 -3.845 1.00 15.25 H new ATOM 0 HD12 ILE A 56 -5.694 -2.249 -4.674 1.00 15.25 H new ATOM 0 HD13 ILE A 56 -6.109 -2.726 -3.011 1.00 15.25 H new ATOM 963 N ILE A 57 -1.732 -3.950 -2.644 1.00 34.32 N ATOM 964 CA ILE A 57 -0.327 -4.396 -2.642 1.00 53.52 C ATOM 965 C ILE A 57 0.257 -4.145 -4.057 1.00 11.22 C ATOM 966 O ILE A 57 -0.496 -4.003 -5.024 1.00 50.41 O ATOM 967 CB ILE A 57 -0.212 -5.926 -2.237 1.00 63.34 C ATOM 968 CG1 ILE A 57 -0.977 -6.213 -0.900 1.00 0.34 C ATOM 969 CG2 ILE A 57 1.268 -6.373 -2.125 1.00 41.25 C ATOM 970 CD1 ILE A 57 -1.007 -7.675 -0.472 1.00 5.44 C ATOM 0 H ILE A 57 -2.286 -4.378 -3.386 1.00 34.32 H new ATOM 0 HA ILE A 57 0.241 -3.833 -1.901 1.00 53.52 H new ATOM 0 HB ILE A 57 -0.679 -6.509 -3.031 1.00 63.34 H new ATOM 0 HG12 ILE A 57 -0.517 -5.627 -0.104 1.00 0.34 H new ATOM 0 HG13 ILE A 57 -2.003 -5.860 -1.004 1.00 0.34 H new ATOM 0 HG21 ILE A 57 1.310 -7.426 -1.846 1.00 41.25 H new ATOM 0 HG22 ILE A 57 1.764 -6.232 -3.085 1.00 41.25 H new ATOM 0 HG23 ILE A 57 1.772 -5.776 -1.365 1.00 41.25 H new ATOM 0 HD11 ILE A 57 -1.559 -7.769 0.463 1.00 5.44 H new ATOM 0 HD12 ILE A 57 -1.496 -8.270 -1.243 1.00 5.44 H new ATOM 0 HD13 ILE A 57 0.012 -8.033 -0.329 1.00 5.44 H new ATOM 982 N SER A 58 1.586 -4.043 -4.166 1.00 35.31 N ATOM 983 CA SER A 58 2.297 -3.856 -5.438 1.00 34.24 C ATOM 984 C SER A 58 3.722 -4.418 -5.311 1.00 43.25 C ATOM 985 O SER A 58 4.269 -4.519 -4.206 1.00 71.24 O ATOM 986 CB SER A 58 2.338 -2.351 -5.825 1.00 13.00 C ATOM 987 OG SER A 58 3.080 -2.124 -7.017 1.00 21.12 O ATOM 0 H SER A 58 2.209 -4.089 -3.360 1.00 35.31 H new ATOM 0 HA SER A 58 1.768 -4.392 -6.226 1.00 34.24 H new ATOM 0 HB2 SER A 58 1.320 -1.983 -5.957 1.00 13.00 H new ATOM 0 HB3 SER A 58 2.780 -1.779 -5.009 1.00 13.00 H new ATOM 0 HG SER A 58 3.751 -1.428 -6.857 1.00 21.12 H new ATOM 993 N ASN A 59 4.312 -4.779 -6.457 1.00 34.42 N ATOM 994 CA ASN A 59 5.695 -5.294 -6.539 1.00 4.24 C ATOM 995 C ASN A 59 6.625 -4.242 -7.174 1.00 72.20 C ATOM 996 O ASN A 59 7.805 -4.513 -7.416 1.00 51.04 O ATOM 997 CB ASN A 59 5.715 -6.616 -7.354 1.00 65.10 C ATOM 998 CG ASN A 59 5.334 -6.437 -8.832 1.00 55.24 C ATOM 999 OD1 ASN A 59 4.048 -6.510 -9.140 1.00 73.23 O flip ATOM 1000 ND2 ASN A 59 6.188 -6.222 -9.694 1.00 42.13 N flip ATOM 0 H ASN A 59 3.845 -4.724 -7.362 1.00 34.42 H new ATOM 0 HA ASN A 59 6.060 -5.499 -5.533 1.00 4.24 H new ATOM 0 HB2 ASN A 59 6.712 -7.053 -7.295 1.00 65.10 H new ATOM 0 HB3 ASN A 59 5.028 -7.326 -6.894 1.00 65.10 H new ATOM 0 HD21 ASN A 59 7.173 -6.170 -9.434 1.00 42.13 H new ATOM 0 HD22 ASN A 59 5.910 -6.096 -10.667 1.00 42.13 H new ATOM 1007 N ASP A 60 6.088 -3.032 -7.421 1.00 22.54 N ATOM 1008 CA ASP A 60 6.818 -1.956 -8.119 1.00 61.20 C ATOM 1009 C ASP A 60 6.572 -0.583 -7.464 1.00 15.12 C ATOM 1010 O ASP A 60 5.475 -0.307 -6.969 1.00 15.11 O ATOM 1011 CB ASP A 60 6.412 -1.947 -9.617 1.00 33.13 C ATOM 1012 CG ASP A 60 6.969 -0.745 -10.400 1.00 55.01 C ATOM 1013 OD1 ASP A 60 8.204 -0.569 -10.458 1.00 33.34 O ATOM 1014 OD2 ASP A 60 6.174 0.053 -10.914 1.00 41.33 O ATOM 0 H ASP A 60 5.141 -2.773 -7.144 1.00 22.54 H new ATOM 0 HA ASP A 60 7.887 -2.152 -8.041 1.00 61.20 H new ATOM 0 HB2 ASP A 60 6.761 -2.868 -10.085 1.00 33.13 H new ATOM 0 HB3 ASP A 60 5.324 -1.945 -9.690 1.00 33.13 H new ATOM 1019 N LYS A 61 7.619 0.265 -7.504 1.00 75.41 N ATOM 1020 CA LYS A 61 7.630 1.619 -6.917 1.00 64.42 C ATOM 1021 C LYS A 61 6.818 2.614 -7.774 1.00 2.01 C ATOM 1022 O LYS A 61 6.113 3.478 -7.236 1.00 1.54 O ATOM 1023 CB LYS A 61 9.092 2.134 -6.803 1.00 31.11 C ATOM 1024 CG LYS A 61 10.051 1.256 -5.969 1.00 13.43 C ATOM 1025 CD LYS A 61 9.754 1.288 -4.456 1.00 13.42 C ATOM 1026 CE LYS A 61 10.783 0.475 -3.645 1.00 51.31 C ATOM 1027 NZ LYS A 61 10.796 -0.958 -4.052 1.00 62.41 N ATOM 0 H LYS A 61 8.500 0.021 -7.956 1.00 75.41 H new ATOM 0 HA LYS A 61 7.173 1.554 -5.930 1.00 64.42 H new ATOM 0 HB2 LYS A 61 9.502 2.233 -7.808 1.00 31.11 H new ATOM 0 HB3 LYS A 61 9.072 3.133 -6.367 1.00 31.11 H new ATOM 0 HG2 LYS A 61 9.988 0.227 -6.322 1.00 13.43 H new ATOM 0 HG3 LYS A 61 11.075 1.589 -6.137 1.00 13.43 H new ATOM 0 HD2 LYS A 61 9.754 2.321 -4.109 1.00 13.42 H new ATOM 0 HD3 LYS A 61 8.755 0.891 -4.275 1.00 13.42 H new ATOM 0 HE2 LYS A 61 11.776 0.902 -3.785 1.00 51.31 H new ATOM 0 HE3 LYS A 61 10.550 0.550 -2.583 1.00 51.31 H new ATOM 0 HZ1 LYS A 61 11.511 -1.470 -3.497 1.00 62.41 H new ATOM 0 HZ2 LYS A 61 9.860 -1.376 -3.879 1.00 62.41 H new ATOM 0 HZ3 LYS A 61 11.026 -1.029 -5.064 1.00 62.41 H new ATOM 1041 N GLN A 62 6.936 2.479 -9.115 1.00 0.25 N ATOM 1042 CA GLN A 62 6.344 3.430 -10.086 1.00 63.01 C ATOM 1043 C GLN A 62 4.805 3.381 -10.022 1.00 72.14 C ATOM 1044 O GLN A 62 4.143 4.410 -10.203 1.00 44.13 O ATOM 1045 CB GLN A 62 6.818 3.107 -11.536 1.00 13.41 C ATOM 1046 CG GLN A 62 8.343 2.975 -11.715 1.00 14.11 C ATOM 1047 CD GLN A 62 8.751 2.440 -13.096 1.00 51.14 C ATOM 1048 OE1 GLN A 62 8.006 1.704 -13.744 1.00 5.43 O ATOM 1049 NE2 GLN A 62 9.953 2.773 -13.540 1.00 10.55 N ATOM 0 H GLN A 62 7.443 1.710 -9.554 1.00 0.25 H new ATOM 0 HA GLN A 62 6.680 4.432 -9.820 1.00 63.01 H new ATOM 0 HB2 GLN A 62 6.349 2.176 -11.855 1.00 13.41 H new ATOM 0 HB3 GLN A 62 6.457 3.891 -12.202 1.00 13.41 H new ATOM 0 HG2 GLN A 62 8.805 3.950 -11.560 1.00 14.11 H new ATOM 0 HG3 GLN A 62 8.736 2.310 -10.946 1.00 14.11 H new ATOM 0 HE21 GLN A 62 10.551 3.384 -12.984 1.00 10.55 H new ATOM 0 HE22 GLN A 62 10.281 2.418 -14.438 1.00 10.55 H new ATOM 1058 N LEU A 63 4.260 2.171 -9.748 1.00 4.44 N ATOM 1059 CA LEU A 63 2.808 1.943 -9.611 1.00 14.24 C ATOM 1060 C LEU A 63 2.269 2.703 -8.396 1.00 33.20 C ATOM 1061 O LEU A 63 1.225 3.370 -8.476 1.00 75.13 O ATOM 1062 CB LEU A 63 2.487 0.428 -9.453 1.00 1.20 C ATOM 1063 CG LEU A 63 2.903 -0.502 -10.629 1.00 64.41 C ATOM 1064 CD1 LEU A 63 2.476 -1.955 -10.363 1.00 65.43 C ATOM 1065 CD2 LEU A 63 2.357 0.008 -11.974 1.00 40.45 C ATOM 0 H LEU A 63 4.818 1.328 -9.616 1.00 4.44 H new ATOM 0 HA LEU A 63 2.327 2.308 -10.518 1.00 14.24 H new ATOM 0 HB2 LEU A 63 2.976 0.070 -8.547 1.00 1.20 H new ATOM 0 HB3 LEU A 63 1.413 0.322 -9.299 1.00 1.20 H new ATOM 0 HG LEU A 63 3.991 -0.483 -10.695 1.00 64.41 H new ATOM 0 HD11 LEU A 63 2.779 -2.583 -11.201 1.00 65.43 H new ATOM 0 HD12 LEU A 63 2.952 -2.313 -9.450 1.00 65.43 H new ATOM 0 HD13 LEU A 63 1.393 -2.001 -10.249 1.00 65.43 H new ATOM 0 HD21 LEU A 63 2.667 -0.666 -12.772 1.00 40.45 H new ATOM 0 HD22 LEU A 63 1.268 0.046 -11.934 1.00 40.45 H new ATOM 0 HD23 LEU A 63 2.748 1.006 -12.170 1.00 40.45 H new ATOM 1077 N LEU A 64 3.018 2.590 -7.274 1.00 52.04 N ATOM 1078 CA LEU A 64 2.694 3.258 -6.005 1.00 11.25 C ATOM 1079 C LEU A 64 2.573 4.764 -6.234 1.00 41.33 C ATOM 1080 O LEU A 64 1.560 5.357 -5.901 1.00 63.51 O ATOM 1081 CB LEU A 64 3.794 2.991 -4.947 1.00 0.14 C ATOM 1082 CG LEU A 64 4.094 1.502 -4.632 1.00 12.34 C ATOM 1083 CD1 LEU A 64 5.346 1.373 -3.750 1.00 41.50 C ATOM 1084 CD2 LEU A 64 2.874 0.807 -3.989 1.00 10.50 C ATOM 0 H LEU A 64 3.868 2.028 -7.230 1.00 52.04 H new ATOM 0 HA LEU A 64 1.748 2.859 -5.638 1.00 11.25 H new ATOM 0 HB2 LEU A 64 4.717 3.462 -5.286 1.00 0.14 H new ATOM 0 HB3 LEU A 64 3.505 3.486 -4.020 1.00 0.14 H new ATOM 0 HG LEU A 64 4.296 0.992 -5.574 1.00 12.34 H new ATOM 0 HD11 LEU A 64 5.537 0.320 -3.542 1.00 41.50 H new ATOM 0 HD12 LEU A 64 6.203 1.802 -4.270 1.00 41.50 H new ATOM 0 HD13 LEU A 64 5.187 1.905 -2.812 1.00 41.50 H new ATOM 0 HD21 LEU A 64 3.117 -0.235 -3.781 1.00 10.50 H new ATOM 0 HD22 LEU A 64 2.616 1.313 -3.058 1.00 10.50 H new ATOM 0 HD23 LEU A 64 2.027 0.852 -4.673 1.00 10.50 H new ATOM 1096 N LYS A 65 3.612 5.326 -6.890 1.00 4.01 N ATOM 1097 CA LYS A 65 3.759 6.770 -7.135 1.00 1.12 C ATOM 1098 C LYS A 65 2.514 7.349 -7.841 1.00 12.21 C ATOM 1099 O LYS A 65 2.002 8.393 -7.430 1.00 11.12 O ATOM 1100 CB LYS A 65 5.043 7.012 -7.977 1.00 22.40 C ATOM 1101 CG LYS A 65 5.383 8.492 -8.263 1.00 5.33 C ATOM 1102 CD LYS A 65 5.568 9.329 -6.977 1.00 64.21 C ATOM 1103 CE LYS A 65 6.177 10.715 -7.255 1.00 20.15 C ATOM 1104 NZ LYS A 65 5.427 11.487 -8.288 1.00 65.43 N ATOM 0 H LYS A 65 4.383 4.776 -7.269 1.00 4.01 H new ATOM 0 HA LYS A 65 3.851 7.287 -6.180 1.00 1.12 H new ATOM 0 HB2 LYS A 65 5.887 6.557 -7.459 1.00 22.40 H new ATOM 0 HB3 LYS A 65 4.936 6.492 -8.929 1.00 22.40 H new ATOM 0 HG2 LYS A 65 6.296 8.541 -8.856 1.00 5.33 H new ATOM 0 HG3 LYS A 65 4.588 8.932 -8.865 1.00 5.33 H new ATOM 0 HD2 LYS A 65 4.603 9.452 -6.486 1.00 64.21 H new ATOM 0 HD3 LYS A 65 6.211 8.786 -6.284 1.00 64.21 H new ATOM 0 HE2 LYS A 65 6.200 11.288 -6.328 1.00 20.15 H new ATOM 0 HE3 LYS A 65 7.210 10.593 -7.580 1.00 20.15 H new ATOM 0 HZ1 LYS A 65 6.043 11.658 -9.109 1.00 65.43 H new ATOM 0 HZ2 LYS A 65 4.592 10.945 -8.588 1.00 65.43 H new ATOM 0 HZ3 LYS A 65 5.123 12.398 -7.888 1.00 65.43 H new ATOM 1118 N GLU A 66 2.038 6.635 -8.889 1.00 62.41 N ATOM 1119 CA GLU A 66 0.791 6.978 -9.608 1.00 75.10 C ATOM 1120 C GLU A 66 -0.402 7.046 -8.643 1.00 52.02 C ATOM 1121 O GLU A 66 -1.058 8.095 -8.527 1.00 42.00 O ATOM 1122 CB GLU A 66 0.499 5.942 -10.723 1.00 64.04 C ATOM 1123 CG GLU A 66 1.586 5.859 -11.798 1.00 12.14 C ATOM 1124 CD GLU A 66 1.280 4.807 -12.875 1.00 31.22 C ATOM 1125 OE1 GLU A 66 1.683 3.633 -12.712 1.00 43.35 O ATOM 1126 OE2 GLU A 66 0.646 5.155 -13.896 1.00 4.14 O ATOM 0 H GLU A 66 2.507 5.808 -9.258 1.00 62.41 H new ATOM 0 HA GLU A 66 0.931 7.960 -10.061 1.00 75.10 H new ATOM 0 HB2 GLU A 66 0.377 4.959 -10.268 1.00 64.04 H new ATOM 0 HB3 GLU A 66 -0.449 6.193 -11.199 1.00 64.04 H new ATOM 0 HG2 GLU A 66 1.698 6.835 -12.271 1.00 12.14 H new ATOM 0 HG3 GLU A 66 2.540 5.622 -11.326 1.00 12.14 H new ATOM 1133 N MET A 67 -0.628 5.924 -7.921 1.00 40.25 N ATOM 1134 CA MET A 67 -1.802 5.753 -7.043 1.00 3.41 C ATOM 1135 C MET A 67 -1.849 6.835 -5.952 1.00 2.34 C ATOM 1136 O MET A 67 -2.880 7.442 -5.766 1.00 63.23 O ATOM 1137 CB MET A 67 -1.816 4.365 -6.360 1.00 24.31 C ATOM 1138 CG MET A 67 -1.763 3.155 -7.285 1.00 51.21 C ATOM 1139 SD MET A 67 -1.794 1.612 -6.339 1.00 52.41 S ATOM 1140 CE MET A 67 -0.716 0.552 -7.292 1.00 53.25 C ATOM 0 H MET A 67 -0.004 5.118 -7.932 1.00 40.25 H new ATOM 0 HA MET A 67 -2.677 5.843 -7.687 1.00 3.41 H new ATOM 0 HB2 MET A 67 -0.968 4.311 -5.678 1.00 24.31 H new ATOM 0 HB3 MET A 67 -2.718 4.292 -5.753 1.00 24.31 H new ATOM 0 HG2 MET A 67 -2.609 3.181 -7.972 1.00 51.21 H new ATOM 0 HG3 MET A 67 -0.858 3.196 -7.891 1.00 51.21 H new ATOM 0 HE1 MET A 67 -0.722 -0.451 -6.865 1.00 53.25 H new ATOM 0 HE2 MET A 67 -1.066 0.509 -8.323 1.00 53.25 H new ATOM 0 HE3 MET A 67 0.298 0.950 -7.270 1.00 53.25 H new ATOM 1150 N LEU A 68 -0.711 7.068 -5.261 1.00 41.42 N ATOM 1151 CA LEU A 68 -0.614 8.017 -4.124 1.00 35.51 C ATOM 1152 C LEU A 68 -1.102 9.430 -4.520 1.00 70.52 C ATOM 1153 O LEU A 68 -1.856 10.063 -3.774 1.00 22.34 O ATOM 1154 CB LEU A 68 0.848 8.102 -3.596 1.00 14.10 C ATOM 1155 CG LEU A 68 1.516 6.768 -3.133 1.00 21.43 C ATOM 1156 CD1 LEU A 68 2.937 7.007 -2.607 1.00 1.52 C ATOM 1157 CD2 LEU A 68 0.669 6.013 -2.093 1.00 10.25 C ATOM 0 H LEU A 68 0.171 6.602 -5.475 1.00 41.42 H new ATOM 0 HA LEU A 68 -1.260 7.636 -3.333 1.00 35.51 H new ATOM 0 HB2 LEU A 68 1.467 8.535 -4.382 1.00 14.10 H new ATOM 0 HB3 LEU A 68 0.865 8.798 -2.757 1.00 14.10 H new ATOM 0 HG LEU A 68 1.579 6.133 -4.017 1.00 21.43 H new ATOM 0 HD11 LEU A 68 3.373 6.059 -2.293 1.00 1.52 H new ATOM 0 HD12 LEU A 68 3.548 7.444 -3.396 1.00 1.52 H new ATOM 0 HD13 LEU A 68 2.901 7.688 -1.757 1.00 1.52 H new ATOM 0 HD21 LEU A 68 1.180 5.094 -1.806 1.00 10.25 H new ATOM 0 HD22 LEU A 68 0.529 6.641 -1.213 1.00 10.25 H new ATOM 0 HD23 LEU A 68 -0.303 5.769 -2.523 1.00 10.25 H new ATOM 1169 N GLU A 69 -0.675 9.879 -5.718 1.00 55.32 N ATOM 1170 CA GLU A 69 -1.029 11.204 -6.274 1.00 23.00 C ATOM 1171 C GLU A 69 -2.522 11.260 -6.667 1.00 41.14 C ATOM 1172 O GLU A 69 -3.174 12.304 -6.519 1.00 72.14 O ATOM 1173 CB GLU A 69 -0.131 11.524 -7.500 1.00 43.02 C ATOM 1174 CG GLU A 69 1.380 11.552 -7.187 1.00 23.12 C ATOM 1175 CD GLU A 69 2.254 11.813 -8.429 1.00 45.21 C ATOM 1176 OE1 GLU A 69 2.537 10.857 -9.185 1.00 75.45 O ATOM 1177 OE2 GLU A 69 2.697 12.967 -8.637 1.00 22.30 O ATOM 0 H GLU A 69 -0.072 9.331 -6.331 1.00 55.32 H new ATOM 0 HA GLU A 69 -0.857 11.956 -5.504 1.00 23.00 H new ATOM 0 HB2 GLU A 69 -0.316 10.781 -8.276 1.00 43.02 H new ATOM 0 HB3 GLU A 69 -0.424 12.491 -7.908 1.00 43.02 H new ATOM 0 HG2 GLU A 69 1.576 12.325 -6.444 1.00 23.12 H new ATOM 0 HG3 GLU A 69 1.669 10.601 -6.741 1.00 23.12 H new ATOM 1184 N LEU A 70 -3.050 10.125 -7.163 1.00 31.14 N ATOM 1185 CA LEU A 70 -4.474 9.997 -7.543 1.00 41.23 C ATOM 1186 C LEU A 70 -5.390 10.002 -6.297 1.00 62.14 C ATOM 1187 O LEU A 70 -6.335 10.766 -6.233 1.00 52.24 O ATOM 1188 CB LEU A 70 -4.680 8.720 -8.400 1.00 41.24 C ATOM 1189 CG LEU A 70 -3.931 8.716 -9.772 1.00 74.33 C ATOM 1190 CD1 LEU A 70 -4.054 7.356 -10.486 1.00 60.23 C ATOM 1191 CD2 LEU A 70 -4.415 9.876 -10.668 1.00 63.43 C ATOM 0 H LEU A 70 -2.507 9.274 -7.312 1.00 31.14 H new ATOM 0 HA LEU A 70 -4.754 10.862 -8.145 1.00 41.23 H new ATOM 0 HB2 LEU A 70 -4.352 7.856 -7.822 1.00 41.24 H new ATOM 0 HB3 LEU A 70 -5.747 8.593 -8.585 1.00 41.24 H new ATOM 0 HG LEU A 70 -2.871 8.872 -9.570 1.00 74.33 H new ATOM 0 HD11 LEU A 70 -3.520 7.394 -11.436 1.00 60.23 H new ATOM 0 HD12 LEU A 70 -3.623 6.575 -9.859 1.00 60.23 H new ATOM 0 HD13 LEU A 70 -5.106 7.135 -10.669 1.00 60.23 H new ATOM 0 HD21 LEU A 70 -3.879 9.851 -11.617 1.00 63.43 H new ATOM 0 HD22 LEU A 70 -5.484 9.771 -10.853 1.00 63.43 H new ATOM 0 HD23 LEU A 70 -4.224 10.826 -10.168 1.00 63.43 H new ATOM 1203 N ILE A 71 -5.053 9.180 -5.297 1.00 54.23 N ATOM 1204 CA ILE A 71 -5.785 9.075 -4.010 1.00 5.10 C ATOM 1205 C ILE A 71 -5.736 10.426 -3.248 1.00 71.53 C ATOM 1206 O ILE A 71 -6.664 10.779 -2.504 1.00 44.52 O ATOM 1207 CB ILE A 71 -5.166 7.905 -3.143 1.00 71.44 C ATOM 1208 CG1 ILE A 71 -5.247 6.545 -3.916 1.00 72.53 C ATOM 1209 CG2 ILE A 71 -5.839 7.786 -1.758 1.00 0.45 C ATOM 1210 CD1 ILE A 71 -4.428 5.411 -3.309 1.00 21.12 C ATOM 0 H ILE A 71 -4.250 8.553 -5.351 1.00 54.23 H new ATOM 0 HA ILE A 71 -6.832 8.844 -4.206 1.00 5.10 H new ATOM 0 HB ILE A 71 -4.118 8.150 -2.970 1.00 71.44 H new ATOM 0 HG12 ILE A 71 -6.290 6.234 -3.966 1.00 72.53 H new ATOM 0 HG13 ILE A 71 -4.913 6.706 -4.941 1.00 72.53 H new ATOM 0 HG21 ILE A 71 -5.381 6.970 -1.200 1.00 0.45 H new ATOM 0 HG22 ILE A 71 -5.709 8.719 -1.209 1.00 0.45 H new ATOM 0 HG23 ILE A 71 -6.903 7.585 -1.886 1.00 0.45 H new ATOM 0 HD11 ILE A 71 -4.548 4.512 -3.913 1.00 21.12 H new ATOM 0 HD12 ILE A 71 -3.376 5.695 -3.285 1.00 21.12 H new ATOM 0 HD13 ILE A 71 -4.774 5.215 -2.294 1.00 21.12 H new ATOM 1222 N SER A 72 -4.646 11.180 -3.481 1.00 22.12 N ATOM 1223 CA SER A 72 -4.456 12.531 -2.937 1.00 3.01 C ATOM 1224 C SER A 72 -5.482 13.518 -3.541 1.00 64.12 C ATOM 1225 O SER A 72 -6.081 14.320 -2.808 1.00 60.11 O ATOM 1226 CB SER A 72 -3.015 13.000 -3.223 1.00 52.43 C ATOM 1227 OG SER A 72 -2.728 14.264 -2.650 1.00 24.42 O ATOM 0 H SER A 72 -3.867 10.863 -4.058 1.00 22.12 H new ATOM 0 HA SER A 72 -4.617 12.505 -1.859 1.00 3.01 H new ATOM 0 HB2 SER A 72 -2.313 12.262 -2.835 1.00 52.43 H new ATOM 0 HB3 SER A 72 -2.861 13.051 -4.301 1.00 52.43 H new ATOM 0 HG SER A 72 -1.804 14.515 -2.858 1.00 24.42 H new ATOM 1233 N LYS A 73 -5.699 13.447 -4.878 1.00 1.03 N ATOM 1234 CA LYS A 73 -6.639 14.359 -5.581 1.00 61.50 C ATOM 1235 C LYS A 73 -8.095 13.900 -5.386 1.00 73.13 C ATOM 1236 O LYS A 73 -9.028 14.691 -5.567 1.00 71.14 O ATOM 1237 CB LYS A 73 -6.293 14.489 -7.092 1.00 4.33 C ATOM 1238 CG LYS A 73 -6.676 13.276 -7.968 1.00 1.42 C ATOM 1239 CD LYS A 73 -6.200 13.393 -9.426 1.00 31.40 C ATOM 1240 CE LYS A 73 -6.665 14.692 -10.119 1.00 22.41 C ATOM 1241 NZ LYS A 73 -8.145 14.845 -10.103 1.00 31.12 N ATOM 0 H LYS A 73 -5.239 12.772 -5.489 1.00 1.03 H new ATOM 0 HA LYS A 73 -6.530 15.348 -5.137 1.00 61.50 H new ATOM 0 HB2 LYS A 73 -6.794 15.373 -7.487 1.00 4.33 H new ATOM 0 HB3 LYS A 73 -5.221 14.660 -7.188 1.00 4.33 H new ATOM 0 HG2 LYS A 73 -6.253 12.373 -7.528 1.00 1.42 H new ATOM 0 HG3 LYS A 73 -7.760 13.158 -7.957 1.00 1.42 H new ATOM 0 HD2 LYS A 73 -5.111 13.347 -9.450 1.00 31.40 H new ATOM 0 HD3 LYS A 73 -6.568 12.537 -9.991 1.00 31.40 H new ATOM 0 HE2 LYS A 73 -6.209 15.549 -9.623 1.00 22.41 H new ATOM 0 HE3 LYS A 73 -6.313 14.696 -11.151 1.00 22.41 H new ATOM 0 HZ1 LYS A 73 -8.411 15.705 -10.624 1.00 31.12 H new ATOM 0 HZ2 LYS A 73 -8.584 14.017 -10.554 1.00 31.12 H new ATOM 0 HZ3 LYS A 73 -8.476 14.920 -9.120 1.00 31.12 H new ATOM 1255 N LEU A 74 -8.279 12.611 -5.035 1.00 22.23 N ATOM 1256 CA LEU A 74 -9.585 12.075 -4.592 1.00 42.44 C ATOM 1257 C LEU A 74 -9.894 12.599 -3.174 1.00 64.31 C ATOM 1258 O LEU A 74 -11.054 12.841 -2.826 1.00 62.12 O ATOM 1259 CB LEU A 74 -9.575 10.517 -4.591 1.00 31.05 C ATOM 1260 CG LEU A 74 -9.280 9.827 -5.959 1.00 2.30 C ATOM 1261 CD1 LEU A 74 -9.187 8.295 -5.818 1.00 3.11 C ATOM 1262 CD2 LEU A 74 -10.311 10.234 -7.027 1.00 11.23 C ATOM 0 H LEU A 74 -7.533 11.916 -5.050 1.00 22.23 H new ATOM 0 HA LEU A 74 -10.356 12.409 -5.286 1.00 42.44 H new ATOM 0 HB2 LEU A 74 -8.830 10.180 -3.870 1.00 31.05 H new ATOM 0 HB3 LEU A 74 -10.544 10.169 -4.234 1.00 31.05 H new ATOM 0 HG LEU A 74 -8.304 10.178 -6.294 1.00 2.30 H new ATOM 0 HD11 LEU A 74 -8.981 7.852 -6.792 1.00 3.11 H new ATOM 0 HD12 LEU A 74 -8.384 8.041 -5.126 1.00 3.11 H new ATOM 0 HD13 LEU A 74 -10.131 7.907 -5.435 1.00 3.11 H new ATOM 0 HD21 LEU A 74 -10.076 9.736 -7.968 1.00 11.23 H new ATOM 0 HD22 LEU A 74 -11.309 9.941 -6.700 1.00 11.23 H new ATOM 0 HD23 LEU A 74 -10.279 11.314 -7.171 1.00 11.23 H new ATOM 1274 N GLY A 75 -8.825 12.761 -2.373 1.00 51.50 N ATOM 1275 CA GLY A 75 -8.922 13.288 -1.020 1.00 25.04 C ATOM 1276 C GLY A 75 -9.225 12.198 -0.009 1.00 61.22 C ATOM 1277 O GLY A 75 -10.335 12.127 0.521 1.00 1.24 O ATOM 0 H GLY A 75 -7.873 12.527 -2.656 1.00 51.50 H new ATOM 0 HA2 GLY A 75 -7.986 13.780 -0.754 1.00 25.04 H new ATOM 0 HA3 GLY A 75 -9.704 14.047 -0.981 1.00 25.04 H new ATOM 1281 N TYR A 76 -8.229 11.336 0.239 1.00 65.11 N ATOM 1282 CA TYR A 76 -8.320 10.238 1.228 1.00 32.51 C ATOM 1283 C TYR A 76 -7.057 10.204 2.099 1.00 74.42 C ATOM 1284 O TYR A 76 -6.084 10.924 1.828 1.00 72.12 O ATOM 1285 CB TYR A 76 -8.509 8.862 0.534 1.00 40.42 C ATOM 1286 CG TYR A 76 -9.834 8.681 -0.222 1.00 42.33 C ATOM 1287 CD1 TYR A 76 -11.051 8.979 0.393 1.00 43.11 C ATOM 1288 CD2 TYR A 76 -9.868 8.206 -1.540 1.00 21.42 C ATOM 1289 CE1 TYR A 76 -12.246 8.820 -0.273 1.00 44.11 C ATOM 1290 CE2 TYR A 76 -11.066 8.043 -2.209 1.00 33.15 C ATOM 1291 CZ TYR A 76 -12.250 8.354 -1.572 1.00 74.31 C ATOM 1292 OH TYR A 76 -13.450 8.203 -2.227 1.00 3.10 O ATOM 0 H TYR A 76 -7.330 11.376 -0.241 1.00 65.11 H new ATOM 0 HA TYR A 76 -9.192 10.429 1.854 1.00 32.51 H new ATOM 0 HB2 TYR A 76 -7.687 8.712 -0.166 1.00 40.42 H new ATOM 0 HB3 TYR A 76 -8.431 8.080 1.289 1.00 40.42 H new ATOM 0 HD1 TYR A 76 -11.056 9.341 1.410 1.00 43.11 H new ATOM 0 HD2 TYR A 76 -8.943 7.963 -2.041 1.00 21.42 H new ATOM 0 HE1 TYR A 76 -13.177 9.059 0.220 1.00 44.11 H new ATOM 0 HE2 TYR A 76 -11.076 7.674 -3.224 1.00 33.15 H new ATOM 0 HH TYR A 76 -13.303 7.736 -3.076 1.00 3.10 H new ATOM 1302 N LYS A 77 -7.092 9.370 3.154 1.00 32.43 N ATOM 1303 CA LYS A 77 -5.920 9.099 4.001 1.00 74.22 C ATOM 1304 C LYS A 77 -4.975 8.140 3.257 1.00 2.42 C ATOM 1305 O LYS A 77 -5.300 6.973 3.052 1.00 63.05 O ATOM 1306 CB LYS A 77 -6.353 8.508 5.377 1.00 2.11 C ATOM 1307 CG LYS A 77 -5.205 8.081 6.350 1.00 63.11 C ATOM 1308 CD LYS A 77 -4.452 9.264 7.035 1.00 14.12 C ATOM 1309 CE LYS A 77 -3.355 9.909 6.164 1.00 3.42 C ATOM 1310 NZ LYS A 77 -2.826 11.158 6.773 1.00 42.50 N ATOM 0 H LYS A 77 -7.932 8.867 3.441 1.00 32.43 H new ATOM 0 HA LYS A 77 -5.395 10.033 4.203 1.00 74.22 H new ATOM 0 HB2 LYS A 77 -6.973 9.247 5.885 1.00 2.11 H new ATOM 0 HB3 LYS A 77 -6.983 7.638 5.191 1.00 2.11 H new ATOM 0 HG2 LYS A 77 -5.625 7.439 7.125 1.00 63.11 H new ATOM 0 HG3 LYS A 77 -4.483 7.482 5.796 1.00 63.11 H new ATOM 0 HD2 LYS A 77 -5.177 10.030 7.311 1.00 14.12 H new ATOM 0 HD3 LYS A 77 -4.001 8.905 7.960 1.00 14.12 H new ATOM 0 HE2 LYS A 77 -2.539 9.200 6.024 1.00 3.42 H new ATOM 0 HE3 LYS A 77 -3.759 10.130 5.176 1.00 3.42 H new ATOM 0 HZ1 LYS A 77 -2.091 11.560 6.157 1.00 42.50 H new ATOM 0 HZ2 LYS A 77 -3.599 11.845 6.884 1.00 42.50 H new ATOM 0 HZ3 LYS A 77 -2.417 10.944 7.705 1.00 42.50 H new ATOM 1324 N VAL A 78 -3.824 8.663 2.828 1.00 72.54 N ATOM 1325 CA VAL A 78 -2.844 7.917 2.034 1.00 75.04 C ATOM 1326 C VAL A 78 -1.792 7.268 2.966 1.00 23.25 C ATOM 1327 O VAL A 78 -1.007 7.971 3.619 1.00 72.35 O ATOM 1328 CB VAL A 78 -2.149 8.851 0.980 1.00 41.10 C ATOM 1329 CG1 VAL A 78 -1.212 8.048 0.059 1.00 1.01 C ATOM 1330 CG2 VAL A 78 -3.191 9.641 0.147 1.00 12.44 C ATOM 0 H VAL A 78 -3.543 9.624 3.023 1.00 72.54 H new ATOM 0 HA VAL A 78 -3.366 7.129 1.490 1.00 75.04 H new ATOM 0 HB VAL A 78 -1.547 9.573 1.532 1.00 41.10 H new ATOM 0 HG11 VAL A 78 -0.745 8.721 -0.660 1.00 1.01 H new ATOM 0 HG12 VAL A 78 -0.440 7.564 0.658 1.00 1.01 H new ATOM 0 HG13 VAL A 78 -1.787 7.290 -0.473 1.00 1.01 H new ATOM 0 HG21 VAL A 78 -2.675 10.277 -0.572 1.00 12.44 H new ATOM 0 HG22 VAL A 78 -3.837 8.942 -0.384 1.00 12.44 H new ATOM 0 HG23 VAL A 78 -3.794 10.260 0.811 1.00 12.44 H new ATOM 1340 N PHE A 79 -1.831 5.929 3.051 1.00 65.02 N ATOM 1341 CA PHE A 79 -0.870 5.112 3.816 1.00 61.51 C ATOM 1342 C PHE A 79 -0.025 4.277 2.820 1.00 23.23 C ATOM 1343 O PHE A 79 -0.542 3.828 1.790 1.00 4.54 O ATOM 1344 CB PHE A 79 -1.649 4.193 4.815 1.00 14.42 C ATOM 1345 CG PHE A 79 -0.794 3.517 5.903 1.00 73.45 C ATOM 1346 CD1 PHE A 79 0.001 2.405 5.619 1.00 45.22 C ATOM 1347 CD2 PHE A 79 -0.794 3.994 7.218 1.00 32.43 C ATOM 1348 CE1 PHE A 79 0.767 1.798 6.599 1.00 4.51 C ATOM 1349 CE2 PHE A 79 -0.026 3.386 8.199 1.00 51.40 C ATOM 1350 CZ PHE A 79 0.753 2.289 7.888 1.00 14.42 C ATOM 0 H PHE A 79 -2.544 5.371 2.582 1.00 65.02 H new ATOM 0 HA PHE A 79 -0.200 5.747 4.396 1.00 61.51 H new ATOM 0 HB2 PHE A 79 -2.421 4.789 5.303 1.00 14.42 H new ATOM 0 HB3 PHE A 79 -2.159 3.417 4.244 1.00 14.42 H new ATOM 0 HD1 PHE A 79 0.019 2.010 4.614 1.00 45.22 H new ATOM 0 HD2 PHE A 79 -1.402 4.849 7.473 1.00 32.43 H new ATOM 0 HE1 PHE A 79 1.376 0.940 6.355 1.00 4.51 H new ATOM 0 HE2 PHE A 79 -0.037 3.771 9.208 1.00 51.40 H new ATOM 0 HZ PHE A 79 1.351 1.816 8.653 1.00 14.42 H new ATOM 1360 N LEU A 80 1.266 4.074 3.130 1.00 14.04 N ATOM 1361 CA LEU A 80 2.190 3.292 2.287 1.00 55.24 C ATOM 1362 C LEU A 80 3.157 2.490 3.180 1.00 54.41 C ATOM 1363 O LEU A 80 4.015 3.063 3.835 1.00 11.22 O ATOM 1364 CB LEU A 80 2.981 4.236 1.326 1.00 33.30 C ATOM 1365 CG LEU A 80 4.043 3.556 0.390 1.00 73.41 C ATOM 1366 CD1 LEU A 80 3.398 2.578 -0.601 1.00 11.02 C ATOM 1367 CD2 LEU A 80 4.888 4.607 -0.345 1.00 22.22 C ATOM 0 H LEU A 80 1.701 4.448 3.974 1.00 14.04 H new ATOM 0 HA LEU A 80 1.614 2.595 1.679 1.00 55.24 H new ATOM 0 HB2 LEU A 80 2.262 4.764 0.699 1.00 33.30 H new ATOM 0 HB3 LEU A 80 3.490 4.988 1.929 1.00 33.30 H new ATOM 0 HG LEU A 80 4.706 2.974 1.031 1.00 73.41 H new ATOM 0 HD11 LEU A 80 4.171 2.132 -1.227 1.00 11.02 H new ATOM 0 HD12 LEU A 80 2.878 1.793 -0.052 1.00 11.02 H new ATOM 0 HD13 LEU A 80 2.686 3.113 -1.229 1.00 11.02 H new ATOM 0 HD21 LEU A 80 5.614 4.107 -0.985 1.00 22.22 H new ATOM 0 HD22 LEU A 80 4.238 5.235 -0.955 1.00 22.22 H new ATOM 0 HD23 LEU A 80 5.412 5.226 0.383 1.00 22.22 H new ATOM 1379 N LEU A 81 2.980 1.169 3.232 1.00 53.04 N ATOM 1380 CA LEU A 81 3.895 0.246 3.934 1.00 60.50 C ATOM 1381 C LEU A 81 4.787 -0.447 2.894 1.00 32.41 C ATOM 1382 O LEU A 81 4.291 -1.204 2.079 1.00 34.21 O ATOM 1383 CB LEU A 81 3.073 -0.796 4.744 1.00 14.05 C ATOM 1384 CG LEU A 81 3.890 -1.932 5.447 1.00 10.21 C ATOM 1385 CD1 LEU A 81 4.947 -1.358 6.419 1.00 63.45 C ATOM 1386 CD2 LEU A 81 2.956 -2.927 6.158 1.00 64.45 C ATOM 0 H LEU A 81 2.193 0.698 2.786 1.00 53.04 H new ATOM 0 HA LEU A 81 4.524 0.796 4.634 1.00 60.50 H new ATOM 0 HB2 LEU A 81 2.502 -0.264 5.505 1.00 14.05 H new ATOM 0 HB3 LEU A 81 2.352 -1.260 4.071 1.00 14.05 H new ATOM 0 HG LEU A 81 4.428 -2.476 4.671 1.00 10.21 H new ATOM 0 HD11 LEU A 81 5.493 -2.177 6.887 1.00 63.45 H new ATOM 0 HD12 LEU A 81 5.643 -0.726 5.868 1.00 63.45 H new ATOM 0 HD13 LEU A 81 4.451 -0.766 7.188 1.00 63.45 H new ATOM 0 HD21 LEU A 81 3.550 -3.705 6.637 1.00 64.45 H new ATOM 0 HD22 LEU A 81 2.370 -2.401 6.912 1.00 64.45 H new ATOM 0 HD23 LEU A 81 2.285 -3.381 5.429 1.00 64.45 H new ATOM 1398 N LEU A 82 6.105 -0.193 2.914 1.00 22.41 N ATOM 1399 CA LEU A 82 7.038 -0.742 1.896 1.00 11.22 C ATOM 1400 C LEU A 82 8.100 -1.658 2.539 1.00 4.34 C ATOM 1401 O LEU A 82 8.539 -1.424 3.669 1.00 40.32 O ATOM 1402 CB LEU A 82 7.643 0.426 1.039 1.00 72.30 C ATOM 1403 CG LEU A 82 8.171 1.705 1.799 1.00 55.34 C ATOM 1404 CD1 LEU A 82 9.552 1.503 2.432 1.00 1.14 C ATOM 1405 CD2 LEU A 82 8.187 2.939 0.881 1.00 63.24 C ATOM 0 H LEU A 82 6.556 0.388 3.621 1.00 22.41 H new ATOM 0 HA LEU A 82 6.487 -1.384 1.209 1.00 11.22 H new ATOM 0 HB2 LEU A 82 8.469 0.019 0.456 1.00 72.30 H new ATOM 0 HB3 LEU A 82 6.881 0.750 0.330 1.00 72.30 H new ATOM 0 HG LEU A 82 7.466 1.876 2.612 1.00 55.34 H new ATOM 0 HD11 LEU A 82 9.857 2.418 2.939 1.00 1.14 H new ATOM 0 HD12 LEU A 82 9.506 0.687 3.153 1.00 1.14 H new ATOM 0 HD13 LEU A 82 10.276 1.260 1.655 1.00 1.14 H new ATOM 0 HD21 LEU A 82 8.556 3.801 1.437 1.00 63.24 H new ATOM 0 HD22 LEU A 82 8.840 2.750 0.029 1.00 63.24 H new ATOM 0 HD23 LEU A 82 7.177 3.141 0.526 1.00 63.24 H new ATOM 1417 N GLN A 83 8.491 -2.712 1.789 1.00 72.24 N ATOM 1418 CA GLN A 83 9.471 -3.714 2.227 1.00 73.24 C ATOM 1419 C GLN A 83 10.275 -4.204 1.018 1.00 45.12 C ATOM 1420 O GLN A 83 9.751 -4.304 -0.101 1.00 30.14 O ATOM 1421 CB GLN A 83 8.794 -4.902 3.019 1.00 43.11 C ATOM 1422 CG GLN A 83 8.370 -6.172 2.229 1.00 23.14 C ATOM 1423 CD GLN A 83 9.508 -7.174 1.919 1.00 71.01 C ATOM 1424 OE1 GLN A 83 9.478 -7.857 0.885 1.00 10.11 O ATOM 1425 NE2 GLN A 83 10.487 -7.297 2.814 1.00 74.42 N ATOM 0 H GLN A 83 8.127 -2.887 0.852 1.00 72.24 H new ATOM 0 HA GLN A 83 10.158 -3.246 2.932 1.00 73.24 H new ATOM 0 HB2 GLN A 83 9.484 -5.214 3.803 1.00 43.11 H new ATOM 0 HB3 GLN A 83 7.907 -4.508 3.514 1.00 43.11 H new ATOM 0 HG2 GLN A 83 7.597 -6.691 2.797 1.00 23.14 H new ATOM 0 HG3 GLN A 83 7.918 -5.859 1.288 1.00 23.14 H new ATOM 0 HE21 GLN A 83 10.484 -6.721 3.656 1.00 74.42 H new ATOM 0 HE22 GLN A 83 11.240 -7.968 2.658 1.00 74.42 H new ATOM 1434 N ASP A 84 11.554 -4.492 1.275 1.00 2.35 N ATOM 1435 CA ASP A 84 12.503 -5.004 0.282 1.00 52.55 C ATOM 1436 C ASP A 84 13.684 -5.646 1.031 1.00 31.10 C ATOM 1437 O ASP A 84 13.814 -5.490 2.255 1.00 64.33 O ATOM 1438 CB ASP A 84 12.986 -3.852 -0.657 1.00 51.12 C ATOM 1439 CG ASP A 84 13.836 -4.323 -1.842 1.00 23.04 C ATOM 1440 OD1 ASP A 84 13.272 -4.940 -2.767 1.00 61.23 O ATOM 1441 OD2 ASP A 84 15.061 -4.082 -1.860 1.00 3.31 O ATOM 0 H ASP A 84 11.968 -4.373 2.200 1.00 2.35 H new ATOM 0 HA ASP A 84 12.023 -5.753 -0.348 1.00 52.55 H new ATOM 0 HB2 ASP A 84 12.115 -3.319 -1.038 1.00 51.12 H new ATOM 0 HB3 ASP A 84 13.564 -3.138 -0.070 1.00 51.12 H new ATOM 1446 N GLN A 85 14.541 -6.363 0.295 1.00 42.02 N ATOM 1447 CA GLN A 85 15.702 -7.070 0.863 1.00 30.15 C ATOM 1448 C GLN A 85 16.934 -6.138 0.984 1.00 20.42 C ATOM 1449 O GLN A 85 18.013 -6.580 1.391 1.00 74.13 O ATOM 1450 CB GLN A 85 16.023 -8.313 -0.016 1.00 21.51 C ATOM 1451 CG GLN A 85 14.795 -9.156 -0.475 1.00 51.42 C ATOM 1452 CD GLN A 85 13.929 -9.771 0.647 1.00 22.43 C ATOM 1453 OE1 GLN A 85 13.771 -9.214 1.737 1.00 53.44 O ATOM 1454 NE2 GLN A 85 13.355 -10.941 0.380 1.00 22.23 N ATOM 0 H GLN A 85 14.451 -6.472 -0.715 1.00 42.02 H new ATOM 0 HA GLN A 85 15.455 -7.397 1.873 1.00 30.15 H new ATOM 0 HB2 GLN A 85 16.561 -7.978 -0.903 1.00 21.51 H new ATOM 0 HB3 GLN A 85 16.698 -8.963 0.540 1.00 21.51 H new ATOM 0 HG2 GLN A 85 14.157 -8.523 -1.092 1.00 51.42 H new ATOM 0 HG3 GLN A 85 15.154 -9.964 -1.112 1.00 51.42 H new ATOM 0 HE21 GLN A 85 13.499 -11.384 -0.527 1.00 22.23 H new ATOM 0 HE22 GLN A 85 12.771 -11.395 1.083 1.00 22.23 H new ATOM 1463 N ASP A 86 16.771 -4.861 0.596 1.00 54.31 N ATOM 1464 CA ASP A 86 17.811 -3.812 0.724 1.00 22.41 C ATOM 1465 C ASP A 86 17.238 -2.607 1.495 1.00 52.25 C ATOM 1466 O ASP A 86 16.040 -2.321 1.407 1.00 54.51 O ATOM 1467 CB ASP A 86 18.282 -3.388 -0.696 1.00 42.11 C ATOM 1468 CG ASP A 86 19.400 -2.326 -0.711 1.00 1.51 C ATOM 1469 OD1 ASP A 86 20.589 -2.692 -0.665 1.00 14.00 O ATOM 1470 OD2 ASP A 86 19.102 -1.123 -0.762 1.00 65.14 O ATOM 0 H ASP A 86 15.905 -4.519 0.179 1.00 54.31 H new ATOM 0 HA ASP A 86 18.667 -4.198 1.278 1.00 22.41 H new ATOM 0 HB2 ASP A 86 18.632 -4.273 -1.228 1.00 42.11 H new ATOM 0 HB3 ASP A 86 17.425 -3.002 -1.249 1.00 42.11 H new ATOM 1475 N GLU A 87 18.112 -1.904 2.233 1.00 72.22 N ATOM 1476 CA GLU A 87 17.736 -0.763 3.086 1.00 70.01 C ATOM 1477 C GLU A 87 17.586 0.526 2.256 1.00 31.31 C ATOM 1478 O GLU A 87 16.587 1.242 2.376 1.00 0.13 O ATOM 1479 CB GLU A 87 18.817 -0.563 4.181 1.00 24.03 C ATOM 1480 CG GLU A 87 18.554 0.584 5.182 1.00 55.52 C ATOM 1481 CD GLU A 87 17.265 0.446 6.016 1.00 43.42 C ATOM 1482 OE1 GLU A 87 16.844 -0.689 6.343 1.00 10.40 O ATOM 1483 OE2 GLU A 87 16.662 1.478 6.361 1.00 42.13 O ATOM 0 H GLU A 87 19.110 -2.113 2.255 1.00 72.22 H new ATOM 0 HA GLU A 87 16.774 -0.978 3.550 1.00 70.01 H new ATOM 0 HB2 GLU A 87 18.917 -1.493 4.741 1.00 24.03 H new ATOM 0 HB3 GLU A 87 19.774 -0.381 3.692 1.00 24.03 H new ATOM 0 HG2 GLU A 87 19.402 0.652 5.863 1.00 55.52 H new ATOM 0 HG3 GLU A 87 18.512 1.523 4.631 1.00 55.52 H new ATOM 1490 N ASN A 88 18.600 0.786 1.416 1.00 52.41 N ATOM 1491 CA ASN A 88 18.741 2.049 0.663 1.00 1.50 C ATOM 1492 C ASN A 88 17.561 2.276 -0.305 1.00 44.31 C ATOM 1493 O ASN A 88 17.043 3.387 -0.388 1.00 52.35 O ATOM 1494 CB ASN A 88 20.086 2.066 -0.100 1.00 71.12 C ATOM 1495 CG ASN A 88 21.295 2.076 0.836 1.00 73.31 C ATOM 1496 OD1 ASN A 88 21.796 1.026 1.240 1.00 23.44 O ATOM 1497 ND2 ASN A 88 21.776 3.263 1.186 1.00 64.41 N ATOM 0 H ASN A 88 19.353 0.122 1.237 1.00 52.41 H new ATOM 0 HA ASN A 88 18.730 2.869 1.382 1.00 1.50 H new ATOM 0 HB2 ASN A 88 20.142 1.192 -0.749 1.00 71.12 H new ATOM 0 HB3 ASN A 88 20.123 2.945 -0.744 1.00 71.12 H new ATOM 0 HD21 ASN A 88 22.583 3.323 1.807 1.00 64.41 H new ATOM 0 HD22 ASN A 88 21.338 4.115 0.834 1.00 64.41 H new ATOM 1504 N GLU A 89 17.132 1.191 -0.997 1.00 32.23 N ATOM 1505 CA GLU A 89 15.999 1.215 -1.954 1.00 11.25 C ATOM 1506 C GLU A 89 14.676 1.594 -1.257 1.00 50.34 C ATOM 1507 O GLU A 89 13.776 2.176 -1.882 1.00 42.23 O ATOM 1508 CB GLU A 89 15.863 -0.165 -2.663 1.00 21.13 C ATOM 1509 CG GLU A 89 17.046 -0.524 -3.584 1.00 24.03 C ATOM 1510 CD GLU A 89 16.915 -1.912 -4.246 1.00 0.40 C ATOM 1511 OE1 GLU A 89 16.063 -2.074 -5.140 1.00 10.34 O ATOM 1512 OE2 GLU A 89 17.659 -2.846 -3.886 1.00 52.44 O ATOM 0 H GLU A 89 17.564 0.272 -0.906 1.00 32.23 H new ATOM 0 HA GLU A 89 16.210 1.980 -2.702 1.00 11.25 H new ATOM 0 HB2 GLU A 89 15.759 -0.941 -1.905 1.00 21.13 H new ATOM 0 HB3 GLU A 89 14.945 -0.169 -3.251 1.00 21.13 H new ATOM 0 HG2 GLU A 89 17.132 0.234 -4.363 1.00 24.03 H new ATOM 0 HG3 GLU A 89 17.969 -0.493 -3.005 1.00 24.03 H new ATOM 1519 N LEU A 90 14.571 1.260 0.040 1.00 51.02 N ATOM 1520 CA LEU A 90 13.390 1.558 0.860 1.00 42.31 C ATOM 1521 C LEU A 90 13.402 3.000 1.368 1.00 5.42 C ATOM 1522 O LEU A 90 12.433 3.730 1.163 1.00 0.12 O ATOM 1523 CB LEU A 90 13.318 0.583 2.060 1.00 31.41 C ATOM 1524 CG LEU A 90 13.034 -0.895 1.708 1.00 64.53 C ATOM 1525 CD1 LEU A 90 13.056 -1.786 2.971 1.00 53.21 C ATOM 1526 CD2 LEU A 90 11.702 -1.004 0.935 1.00 25.24 C ATOM 0 H LEU A 90 15.308 0.773 0.550 1.00 51.02 H new ATOM 0 HA LEU A 90 12.510 1.431 0.229 1.00 42.31 H new ATOM 0 HB2 LEU A 90 14.262 0.633 2.602 1.00 31.41 H new ATOM 0 HB3 LEU A 90 12.541 0.931 2.741 1.00 31.41 H new ATOM 0 HG LEU A 90 13.828 -1.264 1.058 1.00 64.53 H new ATOM 0 HD11 LEU A 90 12.853 -2.820 2.691 1.00 53.21 H new ATOM 0 HD12 LEU A 90 14.037 -1.724 3.443 1.00 53.21 H new ATOM 0 HD13 LEU A 90 12.294 -1.444 3.671 1.00 53.21 H new ATOM 0 HD21 LEU A 90 11.508 -2.048 0.690 1.00 25.24 H new ATOM 0 HD22 LEU A 90 10.890 -0.619 1.553 1.00 25.24 H new ATOM 0 HD23 LEU A 90 11.766 -0.422 0.016 1.00 25.24 H new ATOM 1538 N GLU A 91 14.508 3.398 2.029 1.00 64.32 N ATOM 1539 CA GLU A 91 14.578 4.679 2.756 1.00 74.32 C ATOM 1540 C GLU A 91 14.610 5.883 1.794 1.00 64.12 C ATOM 1541 O GLU A 91 14.203 6.985 2.180 1.00 53.24 O ATOM 1542 CB GLU A 91 15.775 4.681 3.763 1.00 4.03 C ATOM 1543 CG GLU A 91 17.202 4.500 3.170 1.00 54.10 C ATOM 1544 CD GLU A 91 17.795 5.764 2.507 1.00 73.34 C ATOM 1545 OE1 GLU A 91 17.857 6.820 3.176 1.00 1.01 O ATOM 1546 OE2 GLU A 91 18.210 5.710 1.328 1.00 70.53 O ATOM 0 H GLU A 91 15.366 2.848 2.073 1.00 64.32 H new ATOM 0 HA GLU A 91 13.665 4.786 3.341 1.00 74.32 H new ATOM 0 HB2 GLU A 91 15.754 5.623 4.311 1.00 4.03 H new ATOM 0 HB3 GLU A 91 15.607 3.886 4.489 1.00 4.03 H new ATOM 0 HG2 GLU A 91 17.872 4.176 3.966 1.00 54.10 H new ATOM 0 HG3 GLU A 91 17.174 3.699 2.431 1.00 54.10 H new ATOM 1553 N GLU A 92 15.096 5.661 0.549 1.00 14.32 N ATOM 1554 CA GLU A 92 15.115 6.703 -0.490 1.00 25.45 C ATOM 1555 C GLU A 92 13.685 7.008 -0.968 1.00 61.22 C ATOM 1556 O GLU A 92 13.325 8.171 -1.133 1.00 71.54 O ATOM 1557 CB GLU A 92 16.012 6.303 -1.695 1.00 11.34 C ATOM 1558 CG GLU A 92 15.522 5.095 -2.517 1.00 15.15 C ATOM 1559 CD GLU A 92 16.401 4.788 -3.735 1.00 20.23 C ATOM 1560 OE1 GLU A 92 17.530 4.294 -3.552 1.00 54.31 O ATOM 1561 OE2 GLU A 92 15.971 5.047 -4.884 1.00 41.20 O ATOM 0 H GLU A 92 15.479 4.766 0.246 1.00 14.32 H new ATOM 0 HA GLU A 92 15.543 7.601 -0.045 1.00 25.45 H new ATOM 0 HB2 GLU A 92 16.099 7.162 -2.361 1.00 11.34 H new ATOM 0 HB3 GLU A 92 17.013 6.085 -1.323 1.00 11.34 H new ATOM 0 HG2 GLU A 92 15.488 4.217 -1.873 1.00 15.15 H new ATOM 0 HG3 GLU A 92 14.502 5.284 -2.853 1.00 15.15 H new ATOM 1568 N PHE A 93 12.879 5.949 -1.178 1.00 44.51 N ATOM 1569 CA PHE A 93 11.494 6.085 -1.645 1.00 62.30 C ATOM 1570 C PHE A 93 10.641 6.665 -0.512 1.00 52.24 C ATOM 1571 O PHE A 93 9.890 7.610 -0.724 1.00 54.33 O ATOM 1572 CB PHE A 93 10.945 4.711 -2.133 1.00 63.14 C ATOM 1573 CG PHE A 93 9.625 4.798 -2.917 1.00 33.02 C ATOM 1574 CD1 PHE A 93 9.592 5.352 -4.199 1.00 72.03 C ATOM 1575 CD2 PHE A 93 8.426 4.331 -2.384 1.00 44.42 C ATOM 1576 CE1 PHE A 93 8.405 5.436 -4.912 1.00 11.43 C ATOM 1577 CE2 PHE A 93 7.247 4.414 -3.097 1.00 0.13 C ATOM 1578 CZ PHE A 93 7.234 4.965 -4.358 1.00 1.11 C ATOM 0 H PHE A 93 13.171 4.983 -1.029 1.00 44.51 H new ATOM 0 HA PHE A 93 11.455 6.766 -2.495 1.00 62.30 H new ATOM 0 HB2 PHE A 93 11.697 4.236 -2.763 1.00 63.14 H new ATOM 0 HB3 PHE A 93 10.798 4.064 -1.268 1.00 63.14 H new ATOM 0 HD1 PHE A 93 10.505 5.721 -4.642 1.00 72.03 H new ATOM 0 HD2 PHE A 93 8.419 3.896 -1.395 1.00 44.42 H new ATOM 0 HE1 PHE A 93 8.398 5.870 -5.901 1.00 11.43 H new ATOM 0 HE2 PHE A 93 6.330 4.045 -2.663 1.00 0.13 H new ATOM 0 HZ PHE A 93 6.309 5.028 -4.912 1.00 1.11 H new ATOM 1588 N LYS A 94 10.827 6.106 0.697 1.00 62.12 N ATOM 1589 CA LYS A 94 10.165 6.549 1.935 1.00 65.53 C ATOM 1590 C LYS A 94 10.314 8.064 2.167 1.00 44.12 C ATOM 1591 O LYS A 94 9.307 8.747 2.333 1.00 3.11 O ATOM 1592 CB LYS A 94 10.739 5.756 3.142 1.00 42.41 C ATOM 1593 CG LYS A 94 10.279 6.245 4.523 1.00 61.34 C ATOM 1594 CD LYS A 94 10.932 5.443 5.660 1.00 71.30 C ATOM 1595 CE LYS A 94 10.620 6.035 7.032 1.00 50.21 C ATOM 1596 NZ LYS A 94 11.293 7.348 7.238 1.00 41.02 N ATOM 0 H LYS A 94 11.456 5.316 0.843 1.00 62.12 H new ATOM 0 HA LYS A 94 9.098 6.348 1.834 1.00 65.53 H new ATOM 0 HB2 LYS A 94 10.460 4.708 3.034 1.00 42.41 H new ATOM 0 HB3 LYS A 94 11.827 5.802 3.102 1.00 42.41 H new ATOM 0 HG2 LYS A 94 10.525 7.301 4.635 1.00 61.34 H new ATOM 0 HG3 LYS A 94 9.195 6.161 4.595 1.00 61.34 H new ATOM 0 HD2 LYS A 94 10.582 4.411 5.623 1.00 71.30 H new ATOM 0 HD3 LYS A 94 12.012 5.419 5.513 1.00 71.30 H new ATOM 0 HE2 LYS A 94 9.542 6.159 7.137 1.00 50.21 H new ATOM 0 HE3 LYS A 94 10.938 5.339 7.808 1.00 50.21 H new ATOM 0 HZ1 LYS A 94 10.595 8.050 7.558 1.00 41.02 H new ATOM 0 HZ2 LYS A 94 12.037 7.248 7.957 1.00 41.02 H new ATOM 0 HZ3 LYS A 94 11.717 7.665 6.343 1.00 41.02 H new ATOM 1610 N ARG A 95 11.571 8.576 2.160 1.00 52.55 N ATOM 1611 CA ARG A 95 11.847 10.011 2.417 1.00 64.21 C ATOM 1612 C ARG A 95 11.172 10.910 1.358 1.00 34.53 C ATOM 1613 O ARG A 95 10.708 12.004 1.689 1.00 40.14 O ATOM 1614 CB ARG A 95 13.378 10.302 2.524 1.00 44.32 C ATOM 1615 CG ARG A 95 14.185 10.105 1.221 1.00 73.43 C ATOM 1616 CD ARG A 95 15.716 10.208 1.415 1.00 41.33 C ATOM 1617 NE ARG A 95 16.173 11.572 1.748 1.00 53.13 N ATOM 1618 CZ ARG A 95 17.344 11.881 2.346 1.00 13.11 C ATOM 1619 NH1 ARG A 95 18.204 10.933 2.722 1.00 22.13 N ATOM 1620 NH2 ARG A 95 17.672 13.151 2.518 1.00 72.21 N ATOM 0 H ARG A 95 12.406 8.018 1.980 1.00 52.55 H new ATOM 0 HA ARG A 95 11.410 10.255 3.385 1.00 64.21 H new ATOM 0 HB2 ARG A 95 13.512 11.330 2.862 1.00 44.32 H new ATOM 0 HB3 ARG A 95 13.800 9.656 3.294 1.00 44.32 H new ATOM 0 HG2 ARG A 95 13.946 9.128 0.801 1.00 73.43 H new ATOM 0 HG3 ARG A 95 13.869 10.852 0.492 1.00 73.43 H new ATOM 0 HD2 ARG A 95 16.021 9.526 2.209 1.00 41.33 H new ATOM 0 HD3 ARG A 95 16.214 9.878 0.503 1.00 41.33 H new ATOM 0 HE ARG A 95 15.553 12.345 1.506 1.00 53.13 H new ATOM 0 HH11 ARG A 95 17.983 9.951 2.560 1.00 22.13 H new ATOM 0 HH12 ARG A 95 19.082 11.191 3.172 1.00 22.13 H new ATOM 0 HH21 ARG A 95 17.043 13.888 2.200 1.00 72.21 H new ATOM 0 HH22 ARG A 95 18.554 13.393 2.969 1.00 72.21 H new ATOM 1634 N LYS A 96 11.102 10.425 0.098 1.00 54.42 N ATOM 1635 CA LYS A 96 10.400 11.124 -0.998 1.00 54.54 C ATOM 1636 C LYS A 96 8.895 11.240 -0.695 1.00 64.33 C ATOM 1637 O LYS A 96 8.298 12.292 -0.900 1.00 24.22 O ATOM 1638 CB LYS A 96 10.603 10.372 -2.345 1.00 1.01 C ATOM 1639 CG LYS A 96 12.054 10.371 -2.885 1.00 52.31 C ATOM 1640 CD LYS A 96 12.511 11.734 -3.442 1.00 12.44 C ATOM 1641 CE LYS A 96 11.748 12.144 -4.717 1.00 34.50 C ATOM 1642 NZ LYS A 96 11.950 11.175 -5.834 1.00 74.04 N ATOM 0 H LYS A 96 11.529 9.543 -0.185 1.00 54.42 H new ATOM 0 HA LYS A 96 10.823 12.125 -1.081 1.00 54.54 H new ATOM 0 HB2 LYS A 96 10.278 9.339 -2.219 1.00 1.01 H new ATOM 0 HB3 LYS A 96 9.953 10.821 -3.096 1.00 1.01 H new ATOM 0 HG2 LYS A 96 12.730 10.071 -2.084 1.00 52.31 H new ATOM 0 HG3 LYS A 96 12.139 9.621 -3.671 1.00 52.31 H new ATOM 0 HD2 LYS A 96 12.371 12.499 -2.678 1.00 12.44 H new ATOM 0 HD3 LYS A 96 13.578 11.693 -3.660 1.00 12.44 H new ATOM 0 HE2 LYS A 96 10.684 12.220 -4.493 1.00 34.50 H new ATOM 0 HE3 LYS A 96 12.078 13.133 -5.033 1.00 34.50 H new ATOM 0 HZ1 LYS A 96 11.562 11.573 -6.713 1.00 74.04 H new ATOM 0 HZ2 LYS A 96 12.967 10.992 -5.955 1.00 74.04 H new ATOM 0 HZ3 LYS A 96 11.462 10.284 -5.613 1.00 74.04 H new ATOM 1656 N ILE A 97 8.310 10.139 -0.206 1.00 12.45 N ATOM 1657 CA ILE A 97 6.869 10.050 0.092 1.00 32.50 C ATOM 1658 C ILE A 97 6.504 10.869 1.364 1.00 35.24 C ATOM 1659 O ILE A 97 5.415 11.452 1.442 1.00 10.25 O ATOM 1660 CB ILE A 97 6.427 8.543 0.206 1.00 73.05 C ATOM 1661 CG1 ILE A 97 6.809 7.746 -1.090 1.00 75.44 C ATOM 1662 CG2 ILE A 97 4.923 8.400 0.495 1.00 23.35 C ATOM 1663 CD1 ILE A 97 6.329 8.351 -2.406 1.00 22.42 C ATOM 0 H ILE A 97 8.822 9.280 -0.004 1.00 12.45 H new ATOM 0 HA ILE A 97 6.314 10.495 -0.734 1.00 32.50 H new ATOM 0 HB ILE A 97 6.967 8.119 1.052 1.00 73.05 H new ATOM 0 HG12 ILE A 97 7.894 7.652 -1.129 1.00 75.44 H new ATOM 0 HG13 ILE A 97 6.404 6.737 -1.006 1.00 75.44 H new ATOM 0 HG21 ILE A 97 4.665 7.343 0.565 1.00 23.35 H new ATOM 0 HG22 ILE A 97 4.685 8.895 1.436 1.00 23.35 H new ATOM 0 HG23 ILE A 97 4.352 8.860 -0.311 1.00 23.35 H new ATOM 0 HD11 ILE A 97 6.648 7.719 -3.235 1.00 22.42 H new ATOM 0 HD12 ILE A 97 5.241 8.419 -2.400 1.00 22.42 H new ATOM 0 HD13 ILE A 97 6.754 9.348 -2.525 1.00 22.42 H new ATOM 1675 N GLU A 98 7.433 10.928 2.339 1.00 22.11 N ATOM 1676 CA GLU A 98 7.335 11.836 3.507 1.00 33.04 C ATOM 1677 C GLU A 98 7.415 13.302 3.061 1.00 65.22 C ATOM 1678 O GLU A 98 6.766 14.171 3.651 1.00 20.32 O ATOM 1679 CB GLU A 98 8.460 11.533 4.538 1.00 41.43 C ATOM 1680 CG GLU A 98 8.370 10.128 5.140 1.00 33.44 C ATOM 1681 CD GLU A 98 9.533 9.768 6.058 1.00 71.10 C ATOM 1682 OE1 GLU A 98 10.658 9.610 5.546 1.00 4.22 O ATOM 1683 OE2 GLU A 98 9.335 9.634 7.288 1.00 54.23 O ATOM 0 H GLU A 98 8.273 10.349 2.342 1.00 22.11 H new ATOM 0 HA GLU A 98 6.370 11.666 3.984 1.00 33.04 H new ATOM 0 HB2 GLU A 98 9.429 11.651 4.053 1.00 41.43 H new ATOM 0 HB3 GLU A 98 8.414 12.268 5.341 1.00 41.43 H new ATOM 0 HG2 GLU A 98 7.439 10.044 5.701 1.00 33.44 H new ATOM 0 HG3 GLU A 98 8.322 9.400 4.330 1.00 33.44 H new ATOM 1690 N SER A 99 8.213 13.560 2.006 1.00 23.51 N ATOM 1691 CA SER A 99 8.336 14.889 1.387 1.00 13.34 C ATOM 1692 C SER A 99 7.061 15.242 0.589 1.00 11.13 C ATOM 1693 O SER A 99 6.751 16.423 0.400 1.00 61.14 O ATOM 1694 CB SER A 99 9.586 14.924 0.477 1.00 64.41 C ATOM 1695 OG SER A 99 9.760 16.186 -0.148 1.00 52.12 O ATOM 0 H SER A 99 8.791 12.848 1.560 1.00 23.51 H new ATOM 0 HA SER A 99 8.451 15.637 2.172 1.00 13.34 H new ATOM 0 HB2 SER A 99 10.471 14.689 1.069 1.00 64.41 H new ATOM 0 HB3 SER A 99 9.499 14.151 -0.287 1.00 64.41 H new ATOM 0 HG SER A 99 10.561 16.164 -0.712 1.00 52.12 H new ATOM 1701 N GLN A 100 6.341 14.212 0.101 1.00 33.43 N ATOM 1702 CA GLN A 100 5.013 14.388 -0.517 1.00 34.21 C ATOM 1703 C GLN A 100 3.954 14.623 0.585 1.00 20.24 C ATOM 1704 O GLN A 100 2.896 15.196 0.325 1.00 71.11 O ATOM 1705 CB GLN A 100 4.639 13.156 -1.386 1.00 73.20 C ATOM 1706 CG GLN A 100 5.623 12.834 -2.536 1.00 4.23 C ATOM 1707 CD GLN A 100 5.740 13.942 -3.587 1.00 24.40 C ATOM 1708 OE1 GLN A 100 5.024 13.946 -4.586 1.00 61.21 O ATOM 1709 NE2 GLN A 100 6.648 14.886 -3.366 1.00 60.00 N ATOM 0 H GLN A 100 6.661 13.244 0.124 1.00 33.43 H new ATOM 0 HA GLN A 100 5.042 15.259 -1.172 1.00 34.21 H new ATOM 0 HB2 GLN A 100 4.566 12.283 -0.737 1.00 73.20 H new ATOM 0 HB3 GLN A 100 3.649 13.320 -1.812 1.00 73.20 H new ATOM 0 HG2 GLN A 100 6.609 12.643 -2.113 1.00 4.23 H new ATOM 0 HG3 GLN A 100 5.303 11.915 -3.027 1.00 4.23 H new ATOM 0 HE21 GLN A 100 7.225 14.852 -2.526 1.00 60.00 H new ATOM 0 HE22 GLN A 100 6.768 15.645 -4.036 1.00 60.00 H new ATOM 1718 N GLY A 101 4.264 14.157 1.815 1.00 23.02 N ATOM 1719 CA GLY A 101 3.439 14.408 3.005 1.00 1.14 C ATOM 1720 C GLY A 101 2.621 13.203 3.450 1.00 35.02 C ATOM 1721 O GLY A 101 1.865 13.302 4.427 1.00 61.42 O ATOM 0 H GLY A 101 5.095 13.597 2.005 1.00 23.02 H new ATOM 0 HA2 GLY A 101 4.086 14.719 3.825 1.00 1.14 H new ATOM 0 HA3 GLY A 101 2.763 15.238 2.799 1.00 1.14 H new ATOM 1725 N TYR A 102 2.781 12.066 2.755 1.00 12.44 N ATOM 1726 CA TYR A 102 1.976 10.851 3.001 1.00 43.11 C ATOM 1727 C TYR A 102 2.534 10.034 4.182 1.00 4.42 C ATOM 1728 O TYR A 102 3.740 10.061 4.467 1.00 41.23 O ATOM 1729 CB TYR A 102 1.918 9.966 1.732 1.00 41.32 C ATOM 1730 CG TYR A 102 1.441 10.684 0.463 1.00 60.30 C ATOM 1731 CD1 TYR A 102 0.299 11.491 0.473 1.00 22.43 C ATOM 1732 CD2 TYR A 102 2.116 10.533 -0.751 1.00 22.32 C ATOM 1733 CE1 TYR A 102 -0.141 12.115 -0.674 1.00 63.13 C ATOM 1734 CE2 TYR A 102 1.679 11.162 -1.896 1.00 42.42 C ATOM 1735 CZ TYR A 102 0.551 11.945 -1.854 1.00 51.13 C ATOM 1736 OH TYR A 102 0.113 12.564 -2.999 1.00 63.31 O ATOM 0 H TYR A 102 3.468 11.959 2.009 1.00 12.44 H new ATOM 0 HA TYR A 102 0.967 11.176 3.256 1.00 43.11 H new ATOM 0 HB2 TYR A 102 2.911 9.555 1.548 1.00 41.32 H new ATOM 0 HB3 TYR A 102 1.255 9.123 1.925 1.00 41.32 H new ATOM 0 HD1 TYR A 102 -0.247 11.627 1.395 1.00 22.43 H new ATOM 0 HD2 TYR A 102 2.998 9.911 -0.793 1.00 22.32 H new ATOM 0 HE1 TYR A 102 -1.025 12.735 -0.649 1.00 63.13 H new ATOM 0 HE2 TYR A 102 2.221 11.040 -2.822 1.00 42.42 H new ATOM 0 HH TYR A 102 0.713 12.342 -3.741 1.00 63.31 H new ATOM 1746 N GLU A 103 1.629 9.302 4.852 1.00 42.41 N ATOM 1747 CA GLU A 103 1.952 8.423 5.981 1.00 62.20 C ATOM 1748 C GLU A 103 2.586 7.118 5.457 1.00 2.23 C ATOM 1749 O GLU A 103 1.889 6.170 5.093 1.00 54.34 O ATOM 1750 CB GLU A 103 0.649 8.161 6.799 1.00 63.02 C ATOM 1751 CG GLU A 103 0.758 7.146 7.955 1.00 34.12 C ATOM 1752 CD GLU A 103 1.845 7.477 8.985 1.00 75.41 C ATOM 1753 OE1 GLU A 103 1.722 8.511 9.686 1.00 10.45 O ATOM 1754 OE2 GLU A 103 2.813 6.692 9.124 1.00 25.04 O ATOM 0 H GLU A 103 0.636 9.307 4.618 1.00 42.41 H new ATOM 0 HA GLU A 103 2.680 8.892 6.643 1.00 62.20 H new ATOM 0 HB2 GLU A 103 0.306 9.111 7.209 1.00 63.02 H new ATOM 0 HB3 GLU A 103 -0.122 7.814 6.111 1.00 63.02 H new ATOM 0 HG2 GLU A 103 -0.204 7.089 8.465 1.00 34.12 H new ATOM 0 HG3 GLU A 103 0.957 6.159 7.538 1.00 34.12 H new ATOM 1761 N VAL A 104 3.925 7.106 5.375 1.00 61.14 N ATOM 1762 CA VAL A 104 4.695 5.952 4.879 1.00 50.22 C ATOM 1763 C VAL A 104 5.551 5.336 6.003 1.00 61.43 C ATOM 1764 O VAL A 104 6.260 6.038 6.733 1.00 23.11 O ATOM 1765 CB VAL A 104 5.593 6.343 3.644 1.00 1.14 C ATOM 1766 CG1 VAL A 104 6.479 7.557 3.945 1.00 21.44 C ATOM 1767 CG2 VAL A 104 6.445 5.151 3.144 1.00 14.24 C ATOM 0 H VAL A 104 4.507 7.897 5.651 1.00 61.14 H new ATOM 0 HA VAL A 104 3.979 5.202 4.543 1.00 50.22 H new ATOM 0 HB VAL A 104 4.910 6.619 2.841 1.00 1.14 H new ATOM 0 HG11 VAL A 104 7.082 7.794 3.068 1.00 21.44 H new ATOM 0 HG12 VAL A 104 5.851 8.412 4.195 1.00 21.44 H new ATOM 0 HG13 VAL A 104 7.135 7.330 4.786 1.00 21.44 H new ATOM 0 HG21 VAL A 104 7.048 5.466 2.292 1.00 14.24 H new ATOM 0 HG22 VAL A 104 7.100 4.810 3.946 1.00 14.24 H new ATOM 0 HG23 VAL A 104 5.788 4.336 2.841 1.00 14.24 H new ATOM 1777 N ARG A 105 5.445 4.015 6.150 1.00 4.30 N ATOM 1778 CA ARG A 105 6.250 3.222 7.076 1.00 50.24 C ATOM 1779 C ARG A 105 7.062 2.193 6.296 1.00 32.30 C ATOM 1780 O ARG A 105 6.622 1.716 5.244 1.00 51.30 O ATOM 1781 CB ARG A 105 5.331 2.531 8.122 1.00 11.23 C ATOM 1782 CG ARG A 105 4.639 3.508 9.100 1.00 13.03 C ATOM 1783 CD ARG A 105 5.662 4.356 9.884 1.00 51.13 C ATOM 1784 NE ARG A 105 6.686 3.497 10.531 1.00 43.24 N ATOM 1785 CZ ARG A 105 8.008 3.746 10.582 1.00 43.41 C ATOM 1786 NH1 ARG A 105 8.522 4.832 10.021 1.00 22.44 N ATOM 1787 NH2 ARG A 105 8.820 2.881 11.172 1.00 20.30 N ATOM 0 H ARG A 105 4.781 3.455 5.615 1.00 4.30 H new ATOM 0 HA ARG A 105 6.940 3.874 7.611 1.00 50.24 H new ATOM 0 HB2 ARG A 105 4.567 1.959 7.596 1.00 11.23 H new ATOM 0 HB3 ARG A 105 5.924 1.819 8.696 1.00 11.23 H new ATOM 0 HG2 ARG A 105 3.971 4.166 8.544 1.00 13.03 H new ATOM 0 HG3 ARG A 105 4.022 2.945 9.800 1.00 13.03 H new ATOM 0 HD2 ARG A 105 6.148 5.061 9.209 1.00 51.13 H new ATOM 0 HD3 ARG A 105 5.146 4.945 10.642 1.00 51.13 H new ATOM 0 HE ARG A 105 6.358 2.641 10.977 1.00 43.24 H new ATOM 0 HH11 ARG A 105 7.913 5.495 9.541 1.00 22.44 H new ATOM 0 HH12 ARG A 105 9.526 5.005 10.070 1.00 22.44 H new ATOM 0 HH21 ARG A 105 8.443 2.029 11.586 1.00 20.30 H new ATOM 0 HH22 ARG A 105 9.822 3.068 11.212 1.00 20.30 H new ATOM 1801 N LYS A 106 8.255 1.862 6.808 1.00 72.53 N ATOM 1802 CA LYS A 106 9.138 0.873 6.175 1.00 10.12 C ATOM 1803 C LYS A 106 9.375 -0.311 7.106 1.00 43.34 C ATOM 1804 O LYS A 106 9.323 -0.180 8.335 1.00 64.22 O ATOM 1805 CB LYS A 106 10.506 1.496 5.763 1.00 40.15 C ATOM 1806 CG LYS A 106 11.476 1.816 6.924 1.00 14.44 C ATOM 1807 CD LYS A 106 12.836 2.353 6.426 1.00 74.01 C ATOM 1808 CE LYS A 106 13.575 1.349 5.524 1.00 50.10 C ATOM 1809 NZ LYS A 106 13.973 0.107 6.245 1.00 24.25 N ATOM 0 H LYS A 106 8.633 2.268 7.664 1.00 72.53 H new ATOM 0 HA LYS A 106 8.635 0.528 5.271 1.00 10.12 H new ATOM 0 HB2 LYS A 106 11.004 0.811 5.077 1.00 40.15 H new ATOM 0 HB3 LYS A 106 10.313 2.416 5.211 1.00 40.15 H new ATOM 0 HG2 LYS A 106 11.018 2.553 7.584 1.00 14.44 H new ATOM 0 HG3 LYS A 106 11.639 0.915 7.516 1.00 14.44 H new ATOM 0 HD2 LYS A 106 12.677 3.281 5.876 1.00 74.01 H new ATOM 0 HD3 LYS A 106 13.463 2.595 7.284 1.00 74.01 H new ATOM 0 HE2 LYS A 106 12.935 1.085 4.682 1.00 50.10 H new ATOM 0 HE3 LYS A 106 14.465 1.825 5.112 1.00 50.10 H new ATOM 0 HZ1 LYS A 106 14.811 -0.306 5.788 1.00 24.25 H new ATOM 0 HZ2 LYS A 106 14.196 0.336 7.235 1.00 24.25 H new ATOM 0 HZ3 LYS A 106 13.190 -0.577 6.216 1.00 24.25 H new ATOM 1823 N VAL A 107 9.646 -1.460 6.488 1.00 13.22 N ATOM 1824 CA VAL A 107 10.046 -2.705 7.156 1.00 44.31 C ATOM 1825 C VAL A 107 11.028 -3.432 6.226 1.00 75.32 C ATOM 1826 O VAL A 107 10.815 -3.485 5.019 1.00 72.12 O ATOM 1827 CB VAL A 107 8.820 -3.644 7.514 1.00 71.00 C ATOM 1828 CG1 VAL A 107 7.990 -3.060 8.669 1.00 50.34 C ATOM 1829 CG2 VAL A 107 7.913 -3.905 6.292 1.00 35.12 C ATOM 0 H VAL A 107 9.592 -1.556 5.474 1.00 13.22 H new ATOM 0 HA VAL A 107 10.510 -2.456 8.110 1.00 44.31 H new ATOM 0 HB VAL A 107 9.241 -4.599 7.830 1.00 71.00 H new ATOM 0 HG11 VAL A 107 7.157 -3.726 8.891 1.00 50.34 H new ATOM 0 HG12 VAL A 107 8.619 -2.958 9.553 1.00 50.34 H new ATOM 0 HG13 VAL A 107 7.605 -2.081 8.382 1.00 50.34 H new ATOM 0 HG21 VAL A 107 7.087 -4.553 6.584 1.00 35.12 H new ATOM 0 HG22 VAL A 107 7.519 -2.958 5.923 1.00 35.12 H new ATOM 0 HG23 VAL A 107 8.492 -4.388 5.505 1.00 35.12 H new ATOM 1839 N THR A 108 12.141 -3.919 6.772 1.00 24.24 N ATOM 1840 CA THR A 108 13.125 -4.708 5.992 1.00 70.30 C ATOM 1841 C THR A 108 12.987 -6.220 6.330 1.00 75.12 C ATOM 1842 O THR A 108 13.820 -7.049 5.941 1.00 64.44 O ATOM 1843 CB THR A 108 14.576 -4.162 6.251 1.00 71.12 C ATOM 1844 OG1 THR A 108 14.545 -2.721 6.345 1.00 42.23 O ATOM 1845 CG2 THR A 108 15.564 -4.536 5.127 1.00 41.01 C ATOM 0 H THR A 108 12.394 -3.787 7.751 1.00 24.24 H new ATOM 0 HA THR A 108 12.924 -4.599 4.926 1.00 70.30 H new ATOM 0 HB THR A 108 14.917 -4.619 7.180 1.00 71.12 H new ATOM 0 HG1 THR A 108 15.461 -2.373 6.332 1.00 42.23 H new ATOM 0 HG21 THR A 108 16.549 -4.133 5.360 1.00 41.01 H new ATOM 0 HG22 THR A 108 15.626 -5.621 5.044 1.00 41.01 H new ATOM 0 HG23 THR A 108 15.215 -4.119 4.182 1.00 41.01 H new ATOM 1853 N ASP A 109 11.873 -6.561 7.016 1.00 53.51 N ATOM 1854 CA ASP A 109 11.559 -7.935 7.472 1.00 61.14 C ATOM 1855 C ASP A 109 10.113 -8.304 7.092 1.00 54.34 C ATOM 1856 O ASP A 109 9.234 -7.429 7.005 1.00 74.44 O ATOM 1857 CB ASP A 109 11.730 -8.071 9.009 1.00 25.45 C ATOM 1858 CG ASP A 109 13.140 -7.719 9.514 1.00 3.50 C ATOM 1859 OD1 ASP A 109 13.424 -6.516 9.716 1.00 72.31 O ATOM 1860 OD2 ASP A 109 13.960 -8.640 9.730 1.00 5.44 O ATOM 0 H ASP A 109 11.157 -5.881 7.272 1.00 53.51 H new ATOM 0 HA ASP A 109 12.256 -8.613 6.980 1.00 61.14 H new ATOM 0 HB2 ASP A 109 11.006 -7.424 9.504 1.00 25.45 H new ATOM 0 HB3 ASP A 109 11.495 -9.094 9.301 1.00 25.45 H new ATOM 1865 N ASP A 110 9.900 -9.608 6.879 1.00 41.12 N ATOM 1866 CA ASP A 110 8.607 -10.198 6.484 1.00 32.54 C ATOM 1867 C ASP A 110 7.553 -10.127 7.616 1.00 41.13 C ATOM 1868 O ASP A 110 6.409 -9.716 7.384 1.00 33.14 O ATOM 1869 CB ASP A 110 8.819 -11.679 6.064 1.00 23.30 C ATOM 1870 CG ASP A 110 9.942 -11.869 5.025 1.00 51.54 C ATOM 1871 OD1 ASP A 110 9.666 -11.792 3.805 1.00 22.55 O ATOM 1872 OD2 ASP A 110 11.109 -12.100 5.429 1.00 75.11 O ATOM 0 H ASP A 110 10.639 -10.304 6.978 1.00 41.12 H new ATOM 0 HA ASP A 110 8.225 -9.615 5.646 1.00 32.54 H new ATOM 0 HB2 ASP A 110 9.051 -12.270 6.950 1.00 23.30 H new ATOM 0 HB3 ASP A 110 7.887 -12.069 5.655 1.00 23.30 H new ATOM 1877 N GLU A 111 7.955 -10.539 8.835 1.00 3.41 N ATOM 1878 CA GLU A 111 7.052 -10.613 10.005 1.00 63.02 C ATOM 1879 C GLU A 111 6.576 -9.217 10.434 1.00 63.33 C ATOM 1880 O GLU A 111 5.429 -9.040 10.870 1.00 73.11 O ATOM 1881 CB GLU A 111 7.755 -11.339 11.181 1.00 60.32 C ATOM 1882 CG GLU A 111 9.050 -10.668 11.686 1.00 5.54 C ATOM 1883 CD GLU A 111 9.697 -11.424 12.854 1.00 64.15 C ATOM 1884 OE1 GLU A 111 9.296 -11.198 14.015 1.00 65.34 O ATOM 1885 OE2 GLU A 111 10.583 -12.276 12.616 1.00 52.12 O ATOM 0 H GLU A 111 8.912 -10.829 9.038 1.00 3.41 H new ATOM 0 HA GLU A 111 6.171 -11.186 9.716 1.00 63.02 H new ATOM 0 HB2 GLU A 111 7.054 -11.412 12.013 1.00 60.32 H new ATOM 0 HB3 GLU A 111 7.989 -12.357 10.871 1.00 60.32 H new ATOM 0 HG2 GLU A 111 9.763 -10.600 10.864 1.00 5.54 H new ATOM 0 HG3 GLU A 111 8.827 -9.648 11.999 1.00 5.54 H new ATOM 1892 N GLU A 112 7.473 -8.229 10.281 1.00 33.33 N ATOM 1893 CA GLU A 112 7.193 -6.829 10.608 1.00 33.30 C ATOM 1894 C GLU A 112 6.154 -6.241 9.630 1.00 72.12 C ATOM 1895 O GLU A 112 5.369 -5.362 10.003 1.00 35.12 O ATOM 1896 CB GLU A 112 8.509 -6.015 10.579 1.00 13.01 C ATOM 1897 CG GLU A 112 9.624 -6.552 11.502 1.00 13.51 C ATOM 1898 CD GLU A 112 9.261 -6.544 12.995 1.00 44.25 C ATOM 1899 OE1 GLU A 112 9.453 -5.506 13.663 1.00 65.34 O ATOM 1900 OE2 GLU A 112 8.765 -7.564 13.509 1.00 13.11 O ATOM 0 H GLU A 112 8.416 -8.384 9.925 1.00 33.33 H new ATOM 0 HA GLU A 112 6.771 -6.773 11.611 1.00 33.30 H new ATOM 0 HB2 GLU A 112 8.883 -5.993 9.556 1.00 13.01 H new ATOM 0 HB3 GLU A 112 8.289 -4.985 10.860 1.00 13.01 H new ATOM 0 HG2 GLU A 112 9.868 -7.572 11.204 1.00 13.51 H new ATOM 0 HG3 GLU A 112 10.523 -5.953 11.354 1.00 13.51 H new ATOM 1907 N ALA A 113 6.157 -6.751 8.377 1.00 73.32 N ATOM 1908 CA ALA A 113 5.191 -6.355 7.343 1.00 11.23 C ATOM 1909 C ALA A 113 3.767 -6.784 7.738 1.00 50.52 C ATOM 1910 O ALA A 113 2.868 -5.945 7.773 1.00 23.12 O ATOM 1911 CB ALA A 113 5.586 -6.937 5.981 1.00 3.43 C ATOM 0 H ALA A 113 6.831 -7.448 8.061 1.00 73.32 H new ATOM 0 HA ALA A 113 5.203 -5.268 7.259 1.00 11.23 H new ATOM 0 HB1 ALA A 113 4.858 -6.632 5.230 1.00 3.43 H new ATOM 0 HB2 ALA A 113 6.573 -6.569 5.700 1.00 3.43 H new ATOM 0 HB3 ALA A 113 5.609 -8.025 6.043 1.00 3.43 H new ATOM 1917 N LEU A 114 3.599 -8.081 8.105 1.00 11.01 N ATOM 1918 CA LEU A 114 2.287 -8.656 8.500 1.00 32.43 C ATOM 1919 C LEU A 114 1.709 -7.902 9.711 1.00 3.21 C ATOM 1920 O LEU A 114 0.498 -7.663 9.804 1.00 1.25 O ATOM 1921 CB LEU A 114 2.434 -10.162 8.877 1.00 43.24 C ATOM 1922 CG LEU A 114 2.910 -11.125 7.752 1.00 33.20 C ATOM 1923 CD1 LEU A 114 3.044 -12.572 8.279 1.00 63.40 C ATOM 1924 CD2 LEU A 114 1.965 -11.065 6.540 1.00 64.54 C ATOM 0 H LEU A 114 4.365 -8.754 8.135 1.00 11.01 H new ATOM 0 HA LEU A 114 1.615 -8.557 7.648 1.00 32.43 H new ATOM 0 HB2 LEU A 114 3.136 -10.237 9.707 1.00 43.24 H new ATOM 0 HB3 LEU A 114 1.470 -10.516 9.242 1.00 43.24 H new ATOM 0 HG LEU A 114 3.896 -10.796 7.425 1.00 33.20 H new ATOM 0 HD11 LEU A 114 3.378 -13.224 7.472 1.00 63.40 H new ATOM 0 HD12 LEU A 114 3.771 -12.598 9.091 1.00 63.40 H new ATOM 0 HD13 LEU A 114 2.077 -12.916 8.647 1.00 63.40 H new ATOM 0 HD21 LEU A 114 2.320 -11.747 5.768 1.00 64.54 H new ATOM 0 HD22 LEU A 114 0.960 -11.356 6.847 1.00 64.54 H new ATOM 0 HD23 LEU A 114 1.944 -10.049 6.145 1.00 64.54 H new ATOM 1936 N LYS A 115 2.628 -7.530 10.616 1.00 1.14 N ATOM 1937 CA LYS A 115 2.311 -6.876 11.880 1.00 74.04 C ATOM 1938 C LYS A 115 1.733 -5.465 11.649 1.00 1.04 C ATOM 1939 O LYS A 115 0.669 -5.155 12.174 1.00 1.34 O ATOM 1940 CB LYS A 115 3.577 -6.834 12.764 1.00 51.42 C ATOM 1941 CG LYS A 115 3.375 -6.212 14.159 1.00 34.54 C ATOM 1942 CD LYS A 115 4.621 -6.349 15.062 1.00 61.32 C ATOM 1943 CE LYS A 115 5.891 -5.753 14.432 1.00 2.22 C ATOM 1944 NZ LYS A 115 7.040 -5.786 15.375 1.00 54.11 N ATOM 0 H LYS A 115 3.628 -7.681 10.480 1.00 1.14 H new ATOM 0 HA LYS A 115 1.541 -7.450 12.396 1.00 74.04 H new ATOM 0 HB2 LYS A 115 3.951 -7.851 12.886 1.00 51.42 H new ATOM 0 HB3 LYS A 115 4.350 -6.271 12.240 1.00 51.42 H new ATOM 0 HG2 LYS A 115 3.126 -5.157 14.049 1.00 34.54 H new ATOM 0 HG3 LYS A 115 2.525 -6.691 14.645 1.00 34.54 H new ATOM 0 HD2 LYS A 115 4.428 -5.854 16.014 1.00 61.32 H new ATOM 0 HD3 LYS A 115 4.791 -7.404 15.279 1.00 61.32 H new ATOM 0 HE2 LYS A 115 6.145 -6.309 13.529 1.00 2.22 H new ATOM 0 HE3 LYS A 115 5.698 -4.724 14.129 1.00 2.22 H new ATOM 0 HZ1 LYS A 115 7.910 -5.520 14.871 1.00 54.11 H new ATOM 0 HZ2 LYS A 115 6.871 -5.116 16.152 1.00 54.11 H new ATOM 0 HZ3 LYS A 115 7.144 -6.746 15.762 1.00 54.11 H new ATOM 1958 N ILE A 116 2.419 -4.636 10.827 1.00 75.01 N ATOM 1959 CA ILE A 116 1.986 -3.240 10.559 1.00 13.14 C ATOM 1960 C ILE A 116 0.710 -3.209 9.677 1.00 61.00 C ATOM 1961 O ILE A 116 -0.091 -2.272 9.775 1.00 13.30 O ATOM 1962 CB ILE A 116 3.139 -2.358 9.930 1.00 71.21 C ATOM 1963 CG1 ILE A 116 4.375 -2.311 10.890 1.00 20.40 C ATOM 1964 CG2 ILE A 116 2.652 -0.917 9.594 1.00 10.24 C ATOM 1965 CD1 ILE A 116 5.487 -1.358 10.468 1.00 21.43 C ATOM 0 H ILE A 116 3.272 -4.907 10.338 1.00 75.01 H new ATOM 0 HA ILE A 116 1.743 -2.795 11.524 1.00 13.14 H new ATOM 0 HB ILE A 116 3.436 -2.827 8.992 1.00 71.21 H new ATOM 0 HG12 ILE A 116 4.032 -2.026 11.885 1.00 20.40 H new ATOM 0 HG13 ILE A 116 4.790 -3.315 10.971 1.00 20.40 H new ATOM 0 HG21 ILE A 116 3.475 -0.346 9.164 1.00 10.24 H new ATOM 0 HG22 ILE A 116 1.832 -0.968 8.877 1.00 10.24 H new ATOM 0 HG23 ILE A 116 2.307 -0.428 10.505 1.00 10.24 H new ATOM 0 HD11 ILE A 116 6.297 -1.398 11.197 1.00 21.43 H new ATOM 0 HD12 ILE A 116 5.865 -1.651 9.489 1.00 21.43 H new ATOM 0 HD13 ILE A 116 5.095 -0.342 10.416 1.00 21.43 H new ATOM 1977 N VAL A 117 0.518 -4.248 8.843 1.00 32.43 N ATOM 1978 CA VAL A 117 -0.720 -4.429 8.055 1.00 11.15 C ATOM 1979 C VAL A 117 -1.955 -4.519 8.986 1.00 53.04 C ATOM 1980 O VAL A 117 -2.947 -3.809 8.791 1.00 14.33 O ATOM 1981 CB VAL A 117 -0.633 -5.710 7.136 1.00 2.53 C ATOM 1982 CG1 VAL A 117 -2.011 -6.115 6.575 1.00 24.44 C ATOM 1983 CG2 VAL A 117 0.371 -5.498 5.977 1.00 24.15 C ATOM 0 H VAL A 117 1.210 -4.982 8.695 1.00 32.43 H new ATOM 0 HA VAL A 117 -0.831 -3.557 7.411 1.00 11.15 H new ATOM 0 HB VAL A 117 -0.276 -6.525 7.766 1.00 2.53 H new ATOM 0 HG11 VAL A 117 -1.903 -7.001 5.949 1.00 24.44 H new ATOM 0 HG12 VAL A 117 -2.689 -6.334 7.400 1.00 24.44 H new ATOM 0 HG13 VAL A 117 -2.416 -5.297 5.979 1.00 24.44 H new ATOM 0 HG21 VAL A 117 0.410 -6.396 5.361 1.00 24.15 H new ATOM 0 HG22 VAL A 117 0.050 -4.653 5.367 1.00 24.15 H new ATOM 0 HG23 VAL A 117 1.361 -5.295 6.386 1.00 24.15 H new ATOM 1993 N ARG A 118 -1.879 -5.395 10.003 1.00 55.40 N ATOM 1994 CA ARG A 118 -2.994 -5.594 10.952 1.00 53.11 C ATOM 1995 C ARG A 118 -3.051 -4.463 12.010 1.00 21.25 C ATOM 1996 O ARG A 118 -4.103 -4.233 12.611 1.00 14.14 O ATOM 1997 CB ARG A 118 -2.941 -7.012 11.585 1.00 15.22 C ATOM 1998 CG ARG A 118 -1.645 -7.356 12.346 1.00 3.23 C ATOM 1999 CD ARG A 118 -1.582 -8.837 12.789 1.00 62.43 C ATOM 2000 NE ARG A 118 -2.679 -9.195 13.714 1.00 24.20 N ATOM 2001 CZ ARG A 118 -3.741 -9.978 13.418 1.00 1.21 C ATOM 2002 NH1 ARG A 118 -3.878 -10.535 12.209 1.00 23.42 N ATOM 2003 NH2 ARG A 118 -4.662 -10.191 14.343 1.00 34.43 N ATOM 0 H ARG A 118 -1.062 -5.976 10.191 1.00 55.40 H new ATOM 0 HA ARG A 118 -3.929 -5.534 10.395 1.00 53.11 H new ATOM 0 HB2 ARG A 118 -3.782 -7.115 12.271 1.00 15.22 H new ATOM 0 HB3 ARG A 118 -3.083 -7.749 10.794 1.00 15.22 H new ATOM 0 HG2 ARG A 118 -0.787 -7.135 11.711 1.00 3.23 H new ATOM 0 HG3 ARG A 118 -1.564 -6.716 13.224 1.00 3.23 H new ATOM 0 HD2 ARG A 118 -1.628 -9.479 11.909 1.00 62.43 H new ATOM 0 HD3 ARG A 118 -0.625 -9.028 13.274 1.00 62.43 H new ATOM 0 HE ARG A 118 -2.630 -8.817 14.660 1.00 24.20 H new ATOM 0 HH11 ARG A 118 -3.173 -10.372 11.490 1.00 23.42 H new ATOM 0 HH12 ARG A 118 -4.687 -11.122 12.007 1.00 23.42 H new ATOM 0 HH21 ARG A 118 -4.566 -9.767 15.266 1.00 34.43 H new ATOM 0 HH22 ARG A 118 -5.468 -10.779 14.134 1.00 34.43 H new ATOM 2017 N GLU A 119 -1.906 -3.777 12.243 1.00 74.34 N ATOM 2018 CA GLU A 119 -1.865 -2.517 13.025 1.00 71.31 C ATOM 2019 C GLU A 119 -2.621 -1.390 12.301 1.00 63.35 C ATOM 2020 O GLU A 119 -3.307 -0.611 12.955 1.00 61.13 O ATOM 2021 CB GLU A 119 -0.406 -2.056 13.304 1.00 75.44 C ATOM 2022 CG GLU A 119 0.365 -2.891 14.340 1.00 43.15 C ATOM 2023 CD GLU A 119 1.744 -2.305 14.670 1.00 34.33 C ATOM 2024 OE1 GLU A 119 1.812 -1.338 15.470 1.00 74.41 O ATOM 2025 OE2 GLU A 119 2.758 -2.779 14.116 1.00 73.30 O ATOM 0 H GLU A 119 -0.994 -4.077 11.899 1.00 74.34 H new ATOM 0 HA GLU A 119 -2.352 -2.726 13.977 1.00 71.31 H new ATOM 0 HB2 GLU A 119 0.148 -2.072 12.365 1.00 75.44 H new ATOM 0 HB3 GLU A 119 -0.429 -1.020 13.642 1.00 75.44 H new ATOM 0 HG2 GLU A 119 -0.224 -2.960 15.255 1.00 43.15 H new ATOM 0 HG3 GLU A 119 0.488 -3.906 13.963 1.00 43.15 H new ATOM 2032 N PHE A 120 -2.479 -1.328 10.951 1.00 71.11 N ATOM 2033 CA PHE A 120 -3.097 -0.284 10.086 1.00 53.41 C ATOM 2034 C PHE A 120 -4.595 -0.122 10.390 1.00 64.23 C ATOM 2035 O PHE A 120 -5.119 1.002 10.387 1.00 23.35 O ATOM 2036 CB PHE A 120 -2.862 -0.622 8.565 1.00 75.42 C ATOM 2037 CG PHE A 120 -4.005 -0.217 7.616 1.00 32.45 C ATOM 2038 CD1 PHE A 120 -4.101 1.076 7.123 1.00 5.44 C ATOM 2039 CD2 PHE A 120 -5.007 -1.129 7.267 1.00 23.32 C ATOM 2040 CE1 PHE A 120 -5.156 1.447 6.311 1.00 52.50 C ATOM 2041 CE2 PHE A 120 -6.060 -0.754 6.468 1.00 44.12 C ATOM 2042 CZ PHE A 120 -6.140 0.537 5.990 1.00 53.43 C ATOM 0 H PHE A 120 -1.928 -2.007 10.426 1.00 71.11 H new ATOM 0 HA PHE A 120 -2.614 0.668 10.306 1.00 53.41 H new ATOM 0 HB2 PHE A 120 -1.948 -0.128 8.237 1.00 75.42 H new ATOM 0 HB3 PHE A 120 -2.696 -1.695 8.470 1.00 75.42 H new ATOM 0 HD1 PHE A 120 -3.342 1.801 7.377 1.00 5.44 H new ATOM 0 HD2 PHE A 120 -4.952 -2.144 7.632 1.00 23.32 H new ATOM 0 HE1 PHE A 120 -5.210 2.455 5.926 1.00 52.50 H new ATOM 0 HE2 PHE A 120 -6.826 -1.471 6.214 1.00 44.12 H new ATOM 0 HZ PHE A 120 -6.970 0.834 5.367 1.00 53.43 H new ATOM 2052 N MET A 121 -5.250 -1.269 10.646 1.00 21.23 N ATOM 2053 CA MET A 121 -6.701 -1.359 10.884 1.00 15.44 C ATOM 2054 C MET A 121 -7.161 -0.383 11.998 1.00 51.21 C ATOM 2055 O MET A 121 -8.277 0.141 11.946 1.00 3.22 O ATOM 2056 CB MET A 121 -7.081 -2.826 11.237 1.00 42.44 C ATOM 2057 CG MET A 121 -6.521 -3.879 10.253 1.00 4.31 C ATOM 2058 SD MET A 121 -7.010 -3.581 8.539 1.00 74.25 S ATOM 2059 CE MET A 121 -6.016 -4.768 7.627 1.00 63.31 C ATOM 0 H MET A 121 -4.779 -2.172 10.694 1.00 21.23 H new ATOM 0 HA MET A 121 -7.219 -1.065 9.971 1.00 15.44 H new ATOM 0 HB2 MET A 121 -6.718 -3.052 12.240 1.00 42.44 H new ATOM 0 HB3 MET A 121 -8.167 -2.912 11.264 1.00 42.44 H new ATOM 0 HG2 MET A 121 -5.433 -3.885 10.318 1.00 4.31 H new ATOM 0 HG3 MET A 121 -6.864 -4.868 10.555 1.00 4.31 H new ATOM 0 HE1 MET A 121 -5.593 -4.287 6.745 1.00 63.31 H new ATOM 0 HE2 MET A 121 -5.209 -5.132 8.263 1.00 63.31 H new ATOM 0 HE3 MET A 121 -6.642 -5.606 7.319 1.00 63.31 H new ATOM 2069 N GLN A 122 -6.284 -0.158 12.999 1.00 72.42 N ATOM 2070 CA GLN A 122 -6.486 0.864 14.055 1.00 53.43 C ATOM 2071 C GLN A 122 -5.585 2.117 13.830 1.00 42.13 C ATOM 2072 O GLN A 122 -5.927 3.213 14.283 1.00 2.43 O ATOM 2073 CB GLN A 122 -6.250 0.249 15.461 1.00 43.43 C ATOM 2074 CG GLN A 122 -4.834 -0.299 15.712 1.00 72.14 C ATOM 2075 CD GLN A 122 -4.666 -0.908 17.104 1.00 1.01 C ATOM 2076 OE1 GLN A 122 -4.896 -2.102 17.309 1.00 1.11 O ATOM 2077 NE2 GLN A 122 -4.268 -0.097 18.074 1.00 51.42 N ATOM 0 H GLN A 122 -5.413 -0.680 13.100 1.00 72.42 H new ATOM 0 HA GLN A 122 -7.521 1.201 13.996 1.00 53.43 H new ATOM 0 HB2 GLN A 122 -6.466 1.009 16.212 1.00 43.43 H new ATOM 0 HB3 GLN A 122 -6.966 -0.559 15.610 1.00 43.43 H new ATOM 0 HG2 GLN A 122 -4.605 -1.055 14.961 1.00 72.14 H new ATOM 0 HG3 GLN A 122 -4.111 0.507 15.584 1.00 72.14 H new ATOM 0 HE21 GLN A 122 -4.085 0.886 17.874 1.00 51.42 H new ATOM 0 HE22 GLN A 122 -4.144 -0.456 19.021 1.00 51.42 H new ATOM 2086 N LYS A 123 -4.445 1.951 13.116 1.00 62.02 N ATOM 2087 CA LYS A 123 -3.338 2.953 13.101 1.00 22.12 C ATOM 2088 C LYS A 123 -3.532 4.088 12.075 1.00 34.31 C ATOM 2089 O LYS A 123 -2.954 5.154 12.237 1.00 22.13 O ATOM 2090 CB LYS A 123 -1.956 2.277 12.835 1.00 74.41 C ATOM 2091 CG LYS A 123 -0.729 3.218 13.052 1.00 65.23 C ATOM 2092 CD LYS A 123 0.626 2.592 12.665 1.00 43.22 C ATOM 2093 CE LYS A 123 0.930 1.301 13.438 1.00 54.10 C ATOM 2094 NZ LYS A 123 0.839 1.479 14.916 1.00 62.30 N ATOM 0 H LYS A 123 -4.263 1.130 12.539 1.00 62.02 H new ATOM 0 HA LYS A 123 -3.360 3.397 14.096 1.00 22.12 H new ATOM 0 HB2 LYS A 123 -1.856 1.412 13.490 1.00 74.41 H new ATOM 0 HB3 LYS A 123 -1.938 1.905 11.811 1.00 74.41 H new ATOM 0 HG2 LYS A 123 -0.876 4.127 12.469 1.00 65.23 H new ATOM 0 HG3 LYS A 123 -0.693 3.514 14.101 1.00 65.23 H new ATOM 0 HD2 LYS A 123 0.630 2.379 11.596 1.00 43.22 H new ATOM 0 HD3 LYS A 123 1.420 3.315 12.849 1.00 43.22 H new ATOM 0 HE2 LYS A 123 0.233 0.523 13.126 1.00 54.10 H new ATOM 0 HE3 LYS A 123 1.930 0.955 13.179 1.00 54.10 H new ATOM 0 HZ1 LYS A 123 1.135 0.602 15.390 1.00 62.30 H new ATOM 0 HZ2 LYS A 123 1.461 2.259 15.211 1.00 62.30 H new ATOM 0 HZ3 LYS A 123 -0.143 1.700 15.179 1.00 62.30 H new ATOM 2108 N ALA A 124 -4.304 3.879 11.013 1.00 43.01 N ATOM 2109 CA ALA A 124 -4.364 4.862 9.908 1.00 64.14 C ATOM 2110 C ALA A 124 -5.478 5.912 10.097 1.00 55.31 C ATOM 2111 O ALA A 124 -5.302 7.072 9.703 1.00 15.34 O ATOM 2112 CB ALA A 124 -4.512 4.127 8.586 1.00 23.22 C ATOM 0 H ALA A 124 -4.892 3.056 10.884 1.00 43.01 H new ATOM 0 HA ALA A 124 -3.429 5.422 9.909 1.00 64.14 H new ATOM 0 HB1 ALA A 124 -4.556 4.849 7.771 1.00 23.22 H new ATOM 0 HB2 ALA A 124 -3.657 3.466 8.439 1.00 23.22 H new ATOM 0 HB3 ALA A 124 -5.429 3.537 8.598 1.00 23.22 H new ATOM 2118 N GLY A 125 -6.593 5.495 10.731 1.00 10.45 N ATOM 2119 CA GLY A 125 -7.819 6.302 10.816 1.00 4.01 C ATOM 2120 C GLY A 125 -7.658 7.616 11.575 1.00 25.45 C ATOM 2121 O GLY A 125 -7.564 8.680 10.951 1.00 24.04 O ATOM 0 H GLY A 125 -6.665 4.590 11.196 1.00 10.45 H new ATOM 0 HA2 GLY A 125 -8.166 6.520 9.806 1.00 4.01 H new ATOM 0 HA3 GLY A 125 -8.596 5.710 11.300 1.00 4.01 H new ATOM 2125 N SER A 126 -7.614 7.546 12.920 1.00 1.33 N ATOM 2126 CA SER A 126 -7.518 8.738 13.773 1.00 14.23 C ATOM 2127 C SER A 126 -6.843 8.396 15.114 1.00 4.02 C ATOM 2128 O SER A 126 -7.408 7.671 15.942 1.00 63.15 O ATOM 2129 CB SER A 126 -8.913 9.356 14.002 1.00 24.12 C ATOM 2130 OG SER A 126 -8.835 10.594 14.693 1.00 72.21 O ATOM 0 H SER A 126 -7.644 6.668 13.438 1.00 1.33 H new ATOM 0 HA SER A 126 -6.899 9.476 13.262 1.00 14.23 H new ATOM 0 HB2 SER A 126 -9.406 9.506 13.042 1.00 24.12 H new ATOM 0 HB3 SER A 126 -9.530 8.660 14.571 1.00 24.12 H new ATOM 0 HG SER A 126 -9.737 10.956 14.818 1.00 72.21 H new ATOM 2136 N LEU A 127 -5.599 8.877 15.258 1.00 52.42 N ATOM 2137 CA LEU A 127 -4.806 8.863 16.503 1.00 22.04 C ATOM 2138 C LEU A 127 -3.511 9.648 16.255 1.00 54.41 C ATOM 2139 O LEU A 127 -3.240 10.074 15.121 1.00 12.22 O ATOM 2140 CB LEU A 127 -4.472 7.423 17.038 1.00 20.22 C ATOM 2141 CG LEU A 127 -3.512 6.532 16.171 1.00 14.30 C ATOM 2142 CD1 LEU A 127 -3.020 5.285 16.942 1.00 51.21 C ATOM 2143 CD2 LEU A 127 -4.189 6.114 14.860 1.00 3.02 C ATOM 0 H LEU A 127 -5.095 9.304 14.481 1.00 52.42 H new ATOM 0 HA LEU A 127 -5.414 9.325 17.281 1.00 22.04 H new ATOM 0 HB2 LEU A 127 -4.031 7.526 18.029 1.00 20.22 H new ATOM 0 HB3 LEU A 127 -5.411 6.884 17.162 1.00 20.22 H new ATOM 0 HG LEU A 127 -2.638 7.141 15.938 1.00 14.30 H new ATOM 0 HD11 LEU A 127 -2.359 4.699 16.303 1.00 51.21 H new ATOM 0 HD12 LEU A 127 -2.478 5.599 17.834 1.00 51.21 H new ATOM 0 HD13 LEU A 127 -3.876 4.676 17.234 1.00 51.21 H new ATOM 0 HD21 LEU A 127 -3.504 5.498 14.277 1.00 3.02 H new ATOM 0 HD22 LEU A 127 -5.091 5.544 15.082 1.00 3.02 H new ATOM 0 HD23 LEU A 127 -4.454 7.003 14.288 1.00 3.02 H new ATOM 2155 N GLU A 128 -2.721 9.845 17.315 1.00 14.02 N ATOM 2156 CA GLU A 128 -1.450 10.574 17.244 1.00 73.34 C ATOM 2157 C GLU A 128 -0.381 9.712 16.540 1.00 30.23 C ATOM 2158 O GLU A 128 0.337 8.929 17.174 1.00 2.42 O ATOM 2159 CB GLU A 128 -1.007 11.036 18.667 1.00 21.23 C ATOM 2160 CG GLU A 128 -1.815 12.231 19.249 1.00 22.21 C ATOM 2161 CD GLU A 128 -3.341 11.998 19.320 1.00 22.21 C ATOM 2162 OE1 GLU A 128 -3.808 11.339 20.272 1.00 35.34 O ATOM 2163 OE2 GLU A 128 -4.074 12.449 18.412 1.00 62.03 O ATOM 0 H GLU A 128 -2.945 9.503 18.249 1.00 14.02 H new ATOM 0 HA GLU A 128 -1.581 11.476 16.645 1.00 73.34 H new ATOM 0 HB2 GLU A 128 -1.093 10.191 19.350 1.00 21.23 H new ATOM 0 HB3 GLU A 128 0.047 11.312 18.632 1.00 21.23 H new ATOM 0 HG2 GLU A 128 -1.446 12.449 20.251 1.00 22.21 H new ATOM 0 HG3 GLU A 128 -1.623 13.114 18.640 1.00 22.21 H new ATOM 2170 N HIS A 129 -0.365 9.824 15.199 1.00 13.53 N ATOM 2171 CA HIS A 129 0.660 9.232 14.330 1.00 75.51 C ATOM 2172 C HIS A 129 0.887 10.211 13.153 1.00 55.12 C ATOM 2173 O HIS A 129 -0.045 10.512 12.389 1.00 54.12 O ATOM 2174 CB HIS A 129 0.251 7.801 13.844 1.00 44.24 C ATOM 2175 CG HIS A 129 -0.798 7.752 12.755 1.00 11.25 C ATOM 2176 ND1 HIS A 129 -0.498 7.426 11.451 1.00 43.20 N ATOM 2177 CD2 HIS A 129 -2.116 8.067 12.764 1.00 44.13 C ATOM 2178 CE1 HIS A 129 -1.586 7.519 10.716 1.00 44.52 C ATOM 2179 NE2 HIS A 129 -2.578 7.907 11.486 1.00 32.21 N ATOM 0 H HIS A 129 -1.079 10.339 14.683 1.00 13.53 H new ATOM 0 HA HIS A 129 1.591 9.093 14.879 1.00 75.51 H new ATOM 0 HB2 HIS A 129 1.145 7.290 13.485 1.00 44.24 H new ATOM 0 HB3 HIS A 129 -0.116 7.237 14.702 1.00 44.24 H new ATOM 0 HD2 HIS A 129 -2.694 8.385 13.620 1.00 44.13 H new ATOM 0 HE1 HIS A 129 -1.652 7.311 9.658 1.00 44.52 H new ATOM 0 HE2 HIS A 129 -3.538 8.064 11.180 1.00 32.21 H new ATOM 2188 N HIS A 130 2.097 10.762 13.067 1.00 24.13 N ATOM 2189 CA HIS A 130 2.460 11.742 12.035 1.00 10.22 C ATOM 2190 C HIS A 130 3.970 11.966 12.080 1.00 13.32 C ATOM 2191 O HIS A 130 4.533 12.216 13.155 1.00 74.03 O ATOM 2192 CB HIS A 130 1.706 13.087 12.247 1.00 4.33 C ATOM 2193 CG HIS A 130 1.954 14.123 11.182 1.00 34.01 C ATOM 2194 ND1 HIS A 130 1.388 14.302 9.964 1.00 42.21 N flip ATOM 2195 CD2 HIS A 130 2.876 15.135 11.316 1.00 45.14 C flip ATOM 2196 CE1 HIS A 130 1.973 15.401 9.399 1.00 70.22 C flip ATOM 2197 NE2 HIS A 130 2.865 15.881 10.234 1.00 64.13 N flip ATOM 0 H HIS A 130 2.857 10.543 13.711 1.00 24.13 H new ATOM 0 HA HIS A 130 2.171 11.355 11.058 1.00 10.22 H new ATOM 0 HB2 HIS A 130 0.636 12.884 12.295 1.00 4.33 H new ATOM 0 HB3 HIS A 130 1.996 13.502 13.212 1.00 4.33 H new ATOM 0 HD1 HIS A 130 0.660 13.723 9.546 1.00 42.21 H new ATOM 0 HD2 HIS A 130 3.510 15.292 12.176 1.00 45.14 H new ATOM 0 HE1 HIS A 130 1.740 15.807 8.426 1.00 70.22 H new ATOM 2206 N HIS A 131 4.614 11.876 10.913 1.00 31.41 N ATOM 2207 CA HIS A 131 6.063 12.038 10.768 1.00 72.53 C ATOM 2208 C HIS A 131 6.348 12.938 9.551 1.00 11.51 C ATOM 2209 O HIS A 131 6.324 12.495 8.396 1.00 55.04 O ATOM 2210 CB HIS A 131 6.760 10.649 10.667 1.00 23.12 C ATOM 2211 CG HIS A 131 6.193 9.744 9.606 1.00 31.44 C ATOM 2212 ND1 HIS A 131 6.599 9.789 8.291 1.00 12.12 N ATOM 2213 CD2 HIS A 131 5.231 8.799 9.661 1.00 50.22 C ATOM 2214 CE1 HIS A 131 5.916 8.917 7.592 1.00 62.21 C ATOM 2215 NE2 HIS A 131 5.083 8.300 8.396 1.00 62.34 N ATOM 0 H HIS A 131 4.137 11.686 10.031 1.00 31.41 H new ATOM 0 HA HIS A 131 6.479 12.526 11.650 1.00 72.53 H new ATOM 0 HB2 HIS A 131 7.821 10.802 10.468 1.00 23.12 H new ATOM 0 HB3 HIS A 131 6.686 10.148 11.632 1.00 23.12 H new ATOM 0 HD1 HIS A 131 7.321 10.406 7.919 1.00 12.12 H new ATOM 0 HD2 HIS A 131 4.681 8.494 10.539 1.00 50.22 H new ATOM 0 HE1 HIS A 131 6.021 8.736 6.532 1.00 62.21 H new ATOM 0 HE2 HIS A 131 4.430 7.566 8.122 1.00 62.34 H new ATOM 2224 N HIS A 132 6.555 14.233 9.821 1.00 41.12 N ATOM 2225 CA HIS A 132 6.904 15.224 8.790 1.00 12.44 C ATOM 2226 C HIS A 132 8.438 15.281 8.683 1.00 25.44 C ATOM 2227 O HIS A 132 9.071 16.279 9.044 1.00 2.53 O ATOM 2228 CB HIS A 132 6.280 16.604 9.144 1.00 13.12 C ATOM 2229 CG HIS A 132 6.293 17.636 8.034 1.00 11.43 C ATOM 2230 ND1 HIS A 132 5.151 18.031 7.365 1.00 11.35 N ATOM 2231 CD2 HIS A 132 7.295 18.392 7.519 1.00 15.25 C ATOM 2232 CE1 HIS A 132 5.453 18.979 6.501 1.00 33.41 C ATOM 2233 NE2 HIS A 132 6.745 19.214 6.574 1.00 63.35 N ATOM 0 H HIS A 132 6.486 14.625 10.760 1.00 41.12 H new ATOM 0 HA HIS A 132 6.498 14.940 7.819 1.00 12.44 H new ATOM 0 HB2 HIS A 132 5.248 16.446 9.456 1.00 13.12 H new ATOM 0 HB3 HIS A 132 6.813 17.014 10.002 1.00 13.12 H new ATOM 0 HD2 HIS A 132 8.336 18.352 7.803 1.00 15.25 H new ATOM 0 HE1 HIS A 132 4.757 19.479 5.844 1.00 33.41 H new ATOM 0 HE2 HIS A 132 7.255 19.899 6.016 1.00 63.35 H new ATOM 2242 N HIS A 133 9.022 14.157 8.238 1.00 33.24 N ATOM 2243 CA HIS A 133 10.473 14.021 8.029 1.00 2.52 C ATOM 2244 C HIS A 133 10.885 14.792 6.771 1.00 62.14 C ATOM 2245 O HIS A 133 10.155 14.776 5.766 1.00 73.14 O ATOM 2246 CB HIS A 133 10.867 12.521 7.915 1.00 3.14 C ATOM 2247 CG HIS A 133 12.283 12.253 7.442 1.00 0.13 C ATOM 2248 ND1 HIS A 133 12.569 11.633 6.245 1.00 11.45 N ATOM 2249 CD2 HIS A 133 13.483 12.502 8.018 1.00 40.14 C ATOM 2250 CE1 HIS A 133 13.872 11.528 6.102 1.00 24.32 C ATOM 2251 NE2 HIS A 133 14.450 12.046 7.166 1.00 32.14 N ATOM 0 H HIS A 133 8.498 13.312 8.012 1.00 33.24 H new ATOM 0 HA HIS A 133 11.000 14.441 8.886 1.00 2.52 H new ATOM 0 HB2 HIS A 133 10.733 12.053 8.890 1.00 3.14 H new ATOM 0 HB3 HIS A 133 10.175 12.032 7.229 1.00 3.14 H new ATOM 0 HD1 HIS A 133 11.876 11.305 5.572 1.00 11.45 H new ATOM 0 HD2 HIS A 133 13.646 12.974 8.975 1.00 40.14 H new ATOM 0 HE1 HIS A 133 14.382 11.091 5.256 1.00 24.32 H new ATOM 2260 N HIS A 134 12.051 15.461 6.856 1.00 33.44 N ATOM 2261 CA HIS A 134 12.647 16.238 5.757 1.00 72.42 C ATOM 2262 C HIS A 134 12.752 15.387 4.463 1.00 12.10 C ATOM 2263 O HIS A 134 13.418 14.330 4.496 1.00 43.43 O ATOM 2264 CB HIS A 134 14.039 16.755 6.197 1.00 23.42 C ATOM 2265 CG HIS A 134 14.794 17.535 5.148 1.00 55.31 C ATOM 2266 ND1 HIS A 134 15.666 16.945 4.265 1.00 4.34 N ATOM 2267 CD2 HIS A 134 14.803 18.857 4.845 1.00 73.32 C ATOM 2268 CE1 HIS A 134 16.175 17.858 3.468 1.00 11.42 C ATOM 2269 NE2 HIS A 134 15.671 19.026 3.800 1.00 74.14 N ATOM 2270 OXT HIS A 134 12.182 15.788 3.423 1.00 37.66 O ATOM 0 H HIS A 134 12.614 15.476 7.707 1.00 33.44 H new ATOM 0 HA HIS A 134 12.004 17.088 5.531 1.00 72.42 H new ATOM 0 HB2 HIS A 134 13.913 17.386 7.077 1.00 23.42 H new ATOM 0 HB3 HIS A 134 14.647 15.903 6.501 1.00 23.42 H new ATOM 0 HD2 HIS A 134 14.232 19.631 5.336 1.00 73.32 H new ATOM 0 HE1 HIS A 134 16.886 17.679 2.675 1.00 11.42 H new ATOM 0 HE2 HIS A 134 15.891 19.915 3.351 1.00 74.14 H new TER 2279 HIS A 134