USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1440 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: B 10 ASN : amide:sc= 0.343 K(o=0.61,f=-5.5!) USER MOD Set 1.2: B 85 SER OG : rot -160:sc= 0.269 USER MOD Set 2.1: B 83 ASN : amide:sc= -0.154 K(o=-0.2,f=-3.6!) USER MOD Set 2.2: B 89 MET CE :methyl -134:sc= -0.0413 (180deg=-0.0788) USER MOD Set 3.1: B 24 MET CE :methyl -171:sc= -0.0377 (180deg=-0.157) USER MOD Set 3.2: B 43 CYS SG : rot 9:sc= 0.79 USER MOD Set 3.3: B 52 SER OG : rot 110:sc= 0.892 USER MOD Set 4.1: B 49 SER OG : rot -96:sc= 1.25 USER MOD Set 4.2: B 51 LYS NZ :NH3+ -135:sc= 1.25 (180deg=-0.0242) USER MOD Set 5.1: B 16 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 53 HIS : no HE2:sc= -0.238 K(o=-0.24,f=-1.7) USER MOD Set 5.3: B 81 GLN : amide:sc= 0 X(o=-0.24,f=-0.16) USER MOD Set 6.1: A 83 ASN : amide:sc= -0.138 K(o=-0.22,f=-3.3!) USER MOD Set 6.2: A 89 MET CE :methyl -135:sc= -0.0781 (180deg=-0.144) USER MOD Set 7.1: A 49 SER OG : rot -94:sc= 1.18 USER MOD Set 7.2: A 51 LYS NZ :NH3+ -131:sc= 1.31 (180deg=-0.036) USER MOD Set 8.1: A 24 MET CE :methyl -174:sc= -0.0331 (180deg=-0.143) USER MOD Set 8.2: A 43 CYS SG : rot -170:sc= 0.74 USER MOD Set 8.3: A 52 SER OG : rot -153:sc= 1.22 USER MOD Set 9.1: A 16 THR OG1 : rot 114:sc= 0.00102 USER MOD Set 9.2: A 53 HIS : no HE2:sc= -0.0912 K(o=-0.09,f=-1.9) USER MOD Set 9.3: A 81 GLN : amide:sc=0.000163 X(o=-0.09,f=-0.055) USER MOD Set10.1: A 10 ASN : amide:sc= 0.0104 K(o=0.014,f=-6.3!) USER MOD Set10.2: A 85 SER OG : rot -129:sc= 0.00396 USER MOD Single : A 8 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=-0.07) USER MOD Single : A 19 ASN : amide:sc= 0.568 K(o=0.57,f=-3!) USER MOD Single : A 20 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-1) USER MOD Single : A 25 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 26 HIS : no HD1:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 28 CYS SG : rot 90:sc= -4.64! USER MOD Single : A 37 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.7) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 0.761 K(o=0.76,f=-9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 67 MET CE :methyl 158:sc= -0.299 (180deg=-0.681) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.01! K(o=-3!,f=-0.3) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0.386 (180deg=0.363) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 88 THR OG1 : rot -64:sc= 1.09 USER MOD Single : A 91 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.19) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00681) USER MOD Single : B 19 ASN : amide:sc= 0.732 K(o=0.73,f=-3.2!) USER MOD Single : B 20 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-1.3) USER MOD Single : B 25 THR OG1 : rot -71:sc= 1.21 USER MOD Single : B 26 HIS : no HD1:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 28 CYS SG : rot 86:sc= -4.52! USER MOD Single : B 37 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.5) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 ASN : amide:sc= 0.903 K(o=0.9,f=-9.1!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 GLN : amide:sc= -0.0011 X(o=-0.0011,f=-0.32) USER MOD Single : B 67 MET CE :methyl 158:sc= -0.316 (180deg=-0.719) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -2.93! K(o=-2.9!,f=-0.31) USER MOD Single : B 73 LYS NZ :NH3+ -172:sc= 0.436 (180deg=0.399) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : B 88 THR OG1 : rot -64:sc= 1.05 USER MOD Single : B 91 ASN : amide:sc= -0.898 K(o=-0.9,f=-0.11) USER MOD Single : B 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00491) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 13.896 -3.967 -13.348 1.00 44.22 N ATOM 98 CA HIS A 8 14.731 -2.749 -13.257 1.00 20.35 C ATOM 99 C HIS A 8 14.245 -1.708 -14.301 1.00 42.45 C ATOM 100 O HIS A 8 14.683 -1.686 -15.458 1.00 13.25 O ATOM 101 CB HIS A 8 16.256 -3.086 -13.373 1.00 53.21 C ATOM 102 CG HIS A 8 16.710 -3.771 -14.650 1.00 64.24 C ATOM 103 ND1 HIS A 8 16.623 -5.132 -14.854 1.00 44.35 N ATOM 104 CD2 HIS A 8 17.289 -3.272 -15.772 1.00 4.44 C ATOM 105 CE1 HIS A 8 17.129 -5.431 -16.036 1.00 31.44 C ATOM 106 NE2 HIS A 8 17.541 -4.319 -16.609 1.00 24.22 N ATOM 0 HA HIS A 8 14.613 -2.300 -12.271 1.00 20.35 H new ATOM 0 HB2 HIS A 8 16.818 -2.158 -13.267 1.00 53.21 H new ATOM 0 HB3 HIS A 8 16.529 -3.722 -12.531 1.00 53.21 H new ATOM 0 HD2 HIS A 8 17.510 -2.233 -15.967 1.00 4.44 H new ATOM 0 HE1 HIS A 8 17.194 -6.421 -16.462 1.00 31.44 H new ATOM 0 HE2 HIS A 8 17.977 -4.252 -17.529 1.00 24.22 H new ATOM 115 N ASP A 9 13.272 -0.900 -13.865 1.00 53.43 N ATOM 116 CA ASP A 9 12.664 0.216 -14.637 1.00 23.51 C ATOM 117 C ASP A 9 11.755 0.985 -13.689 1.00 31.05 C ATOM 118 O ASP A 9 11.646 2.218 -13.734 1.00 75.04 O ATOM 119 CB ASP A 9 11.857 -0.268 -15.874 1.00 50.25 C ATOM 120 CG ASP A 9 11.313 0.920 -16.690 1.00 43.54 C ATOM 121 OD1 ASP A 9 12.111 1.570 -17.406 1.00 73.53 O ATOM 122 OD2 ASP A 9 10.109 1.236 -16.586 1.00 63.04 O ATOM 0 H ASP A 9 12.865 -0.999 -12.935 1.00 53.43 H new ATOM 0 HA ASP A 9 13.464 0.845 -15.028 1.00 23.51 H new ATOM 0 HB2 ASP A 9 12.494 -0.885 -16.507 1.00 50.25 H new ATOM 0 HB3 ASP A 9 11.029 -0.896 -15.547 1.00 50.25 H new ATOM 127 N ASN A 10 11.149 0.203 -12.796 1.00 63.11 N ATOM 128 CA ASN A 10 10.441 0.698 -11.633 1.00 30.53 C ATOM 129 C ASN A 10 11.475 1.161 -10.592 1.00 25.41 C ATOM 130 O ASN A 10 12.668 0.852 -10.703 1.00 55.13 O ATOM 131 CB ASN A 10 9.522 -0.417 -11.040 1.00 33.42 C ATOM 132 CG ASN A 10 10.284 -1.684 -10.613 1.00 4.31 C ATOM 133 OD1 ASN A 10 11.297 -2.050 -11.213 1.00 20.21 O ATOM 134 ND2 ASN A 10 9.801 -2.369 -9.590 1.00 20.14 N ATOM 0 H ASN A 10 11.141 -0.814 -12.870 1.00 63.11 H new ATOM 0 HA ASN A 10 9.805 1.537 -11.915 1.00 30.53 H new ATOM 0 HB2 ASN A 10 8.989 -0.016 -10.178 1.00 33.42 H new ATOM 0 HB3 ASN A 10 8.770 -0.688 -11.781 1.00 33.42 H new ATOM 0 HD21 ASN A 10 10.268 -3.221 -9.281 1.00 20.14 H new ATOM 0 HD22 ASN A 10 8.961 -2.045 -9.110 1.00 20.14 H new ATOM 141 N VAL A 11 11.014 1.925 -9.611 1.00 15.34 N ATOM 142 CA VAL A 11 11.837 2.452 -8.510 1.00 22.01 C ATOM 143 C VAL A 11 11.102 2.210 -7.208 1.00 73.03 C ATOM 144 O VAL A 11 9.868 2.157 -7.186 1.00 71.21 O ATOM 145 CB VAL A 11 12.178 3.985 -8.657 1.00 2.31 C ATOM 146 CG1 VAL A 11 13.217 4.214 -9.772 1.00 23.43 C ATOM 147 CG2 VAL A 11 10.899 4.833 -8.891 1.00 62.24 C ATOM 0 H VAL A 11 10.036 2.207 -9.549 1.00 15.34 H new ATOM 0 HA VAL A 11 12.793 1.928 -8.531 1.00 22.01 H new ATOM 0 HB VAL A 11 12.618 4.318 -7.717 1.00 2.31 H new ATOM 0 HG11 VAL A 11 13.435 5.279 -9.853 1.00 23.43 H new ATOM 0 HG12 VAL A 11 14.133 3.673 -9.533 1.00 23.43 H new ATOM 0 HG13 VAL A 11 12.819 3.852 -10.720 1.00 23.43 H new ATOM 0 HG21 VAL A 11 11.172 5.884 -8.988 1.00 62.24 H new ATOM 0 HG22 VAL A 11 10.404 4.501 -9.804 1.00 62.24 H new ATOM 0 HG23 VAL A 11 10.221 4.710 -8.046 1.00 62.24 H new ATOM 157 N ILE A 12 11.884 2.054 -6.144 1.00 50.12 N ATOM 158 CA ILE A 12 11.397 1.724 -4.810 1.00 71.05 C ATOM 159 C ILE A 12 11.359 3.027 -3.984 1.00 5.43 C ATOM 160 O ILE A 12 12.349 3.412 -3.367 1.00 5.13 O ATOM 161 CB ILE A 12 12.349 0.646 -4.148 1.00 11.44 C ATOM 162 CG1 ILE A 12 12.652 -0.533 -5.113 1.00 32.33 C ATOM 163 CG2 ILE A 12 11.761 0.092 -2.857 1.00 44.45 C ATOM 164 CD1 ILE A 12 11.481 -1.443 -5.437 1.00 63.45 C ATOM 0 H ILE A 12 12.898 2.156 -6.187 1.00 50.12 H new ATOM 0 HA ILE A 12 10.396 1.295 -4.852 1.00 71.05 H new ATOM 0 HB ILE A 12 13.280 1.165 -3.923 1.00 11.44 H new ATOM 0 HG12 ILE A 12 13.038 -0.123 -6.046 1.00 32.33 H new ATOM 0 HG13 ILE A 12 13.448 -1.138 -4.678 1.00 32.33 H new ATOM 0 HG21 ILE A 12 12.444 -0.645 -2.433 1.00 44.45 H new ATOM 0 HG22 ILE A 12 11.616 0.905 -2.145 1.00 44.45 H new ATOM 0 HG23 ILE A 12 10.802 -0.381 -3.068 1.00 44.45 H new ATOM 0 HD11 ILE A 12 11.808 -2.229 -6.118 1.00 63.45 H new ATOM 0 HD12 ILE A 12 11.104 -1.893 -4.518 1.00 63.45 H new ATOM 0 HD13 ILE A 12 10.688 -0.862 -5.908 1.00 63.45 H new ATOM 176 N LEU A 13 10.228 3.735 -4.011 1.00 55.00 N ATOM 177 CA LEU A 13 10.117 5.066 -3.389 1.00 42.31 C ATOM 178 C LEU A 13 9.756 4.918 -1.912 1.00 0.50 C ATOM 179 O LEU A 13 8.606 4.656 -1.572 1.00 14.31 O ATOM 180 CB LEU A 13 9.081 5.945 -4.146 1.00 12.33 C ATOM 181 CG LEU A 13 9.447 6.280 -5.626 1.00 23.43 C ATOM 182 CD1 LEU A 13 8.354 7.125 -6.302 1.00 22.23 C ATOM 183 CD2 LEU A 13 10.825 6.979 -5.709 1.00 25.33 C ATOM 0 H LEU A 13 9.370 3.411 -4.458 1.00 55.00 H new ATOM 0 HA LEU A 13 11.080 5.573 -3.456 1.00 42.31 H new ATOM 0 HB2 LEU A 13 8.118 5.435 -4.134 1.00 12.33 H new ATOM 0 HB3 LEU A 13 8.954 6.880 -3.600 1.00 12.33 H new ATOM 0 HG LEU A 13 9.512 5.338 -6.171 1.00 23.43 H new ATOM 0 HD11 LEU A 13 8.644 7.339 -7.331 1.00 22.23 H new ATOM 0 HD12 LEU A 13 7.413 6.575 -6.297 1.00 22.23 H new ATOM 0 HD13 LEU A 13 8.230 8.061 -5.758 1.00 22.23 H new ATOM 0 HD21 LEU A 13 11.058 7.202 -6.750 1.00 25.33 H new ATOM 0 HD22 LEU A 13 10.798 7.906 -5.136 1.00 25.33 H new ATOM 0 HD23 LEU A 13 11.592 6.322 -5.299 1.00 25.33 H new ATOM 195 N GLU A 14 10.764 5.104 -1.044 1.00 2.34 N ATOM 196 CA GLU A 14 10.634 4.866 0.393 1.00 45.01 C ATOM 197 C GLU A 14 10.090 6.130 1.075 1.00 21.41 C ATOM 198 O GLU A 14 10.834 7.062 1.414 1.00 32.22 O ATOM 199 CB GLU A 14 11.995 4.441 0.992 1.00 73.30 C ATOM 200 CG GLU A 14 11.950 4.075 2.492 1.00 23.23 C ATOM 201 CD GLU A 14 13.301 3.575 3.040 1.00 3.42 C ATOM 202 OE1 GLU A 14 13.982 2.789 2.353 1.00 12.05 O ATOM 203 OE2 GLU A 14 13.678 3.947 4.161 1.00 70.24 O ATOM 0 H GLU A 14 11.691 5.424 -1.325 1.00 2.34 H new ATOM 0 HA GLU A 14 9.930 4.052 0.566 1.00 45.01 H new ATOM 0 HB2 GLU A 14 12.372 3.584 0.433 1.00 73.30 H new ATOM 0 HB3 GLU A 14 12.709 5.252 0.851 1.00 73.30 H new ATOM 0 HG2 GLU A 14 11.636 4.949 3.063 1.00 23.23 H new ATOM 0 HG3 GLU A 14 11.195 3.304 2.648 1.00 23.23 H new ATOM 210 N LEU A 15 8.768 6.163 1.208 1.00 62.23 N ATOM 211 CA LEU A 15 8.046 7.235 1.887 1.00 45.53 C ATOM 212 C LEU A 15 7.958 6.898 3.373 1.00 52.50 C ATOM 213 O LEU A 15 7.184 6.036 3.783 1.00 43.24 O ATOM 214 CB LEU A 15 6.627 7.429 1.262 1.00 62.34 C ATOM 215 CG LEU A 15 6.542 8.373 0.020 1.00 21.22 C ATOM 216 CD1 LEU A 15 6.800 9.832 0.429 1.00 74.14 C ATOM 217 CD2 LEU A 15 7.494 7.933 -1.114 1.00 61.33 C ATOM 0 H LEU A 15 8.157 5.433 0.841 1.00 62.23 H new ATOM 0 HA LEU A 15 8.580 8.177 1.764 1.00 45.53 H new ATOM 0 HB2 LEU A 15 6.243 6.450 0.975 1.00 62.34 H new ATOM 0 HB3 LEU A 15 5.963 7.818 2.034 1.00 62.34 H new ATOM 0 HG LEU A 15 5.529 8.300 -0.375 1.00 21.22 H new ATOM 0 HD11 LEU A 15 6.736 10.473 -0.450 1.00 74.14 H new ATOM 0 HD12 LEU A 15 6.053 10.143 1.159 1.00 74.14 H new ATOM 0 HD13 LEU A 15 7.794 9.916 0.868 1.00 74.14 H new ATOM 0 HD21 LEU A 15 7.399 8.619 -1.955 1.00 61.33 H new ATOM 0 HD22 LEU A 15 8.522 7.944 -0.751 1.00 61.33 H new ATOM 0 HD23 LEU A 15 7.234 6.925 -1.437 1.00 61.33 H new ATOM 229 N THR A 16 8.766 7.593 4.160 1.00 63.32 N ATOM 230 CA THR A 16 8.785 7.454 5.605 1.00 40.05 C ATOM 231 C THR A 16 7.706 8.382 6.160 1.00 13.00 C ATOM 232 O THR A 16 7.919 9.584 6.259 1.00 34.42 O ATOM 233 CB THR A 16 10.185 7.829 6.189 1.00 72.12 C ATOM 234 OG1 THR A 16 11.192 6.926 5.683 1.00 24.12 O ATOM 235 CG2 THR A 16 10.182 7.802 7.733 1.00 51.42 C ATOM 0 H THR A 16 9.435 8.277 3.807 1.00 63.32 H new ATOM 0 HA THR A 16 8.591 6.419 5.888 1.00 40.05 H new ATOM 0 HB THR A 16 10.416 8.846 5.871 1.00 72.12 H new ATOM 0 HG1 THR A 16 11.814 7.419 5.109 1.00 24.12 H new ATOM 0 HG21 THR A 16 11.172 8.068 8.103 1.00 51.42 H new ATOM 0 HG22 THR A 16 9.450 8.517 8.108 1.00 51.42 H new ATOM 0 HG23 THR A 16 9.922 6.802 8.079 1.00 51.42 H new ATOM 243 N VAL A 17 6.519 7.823 6.427 1.00 71.00 N ATOM 244 CA VAL A 17 5.372 8.590 6.926 1.00 42.22 C ATOM 245 C VAL A 17 4.959 8.077 8.310 1.00 23.43 C ATOM 246 O VAL A 17 5.167 6.913 8.632 1.00 15.01 O ATOM 247 CB VAL A 17 4.136 8.561 5.934 1.00 14.30 C ATOM 248 CG1 VAL A 17 4.574 8.739 4.459 1.00 64.51 C ATOM 249 CG2 VAL A 17 3.260 7.300 6.105 1.00 41.42 C ATOM 0 H VAL A 17 6.327 6.829 6.303 1.00 71.00 H new ATOM 0 HA VAL A 17 5.690 9.630 7.001 1.00 42.22 H new ATOM 0 HB VAL A 17 3.516 9.416 6.204 1.00 14.30 H new ATOM 0 HG11 VAL A 17 3.696 8.713 3.813 1.00 64.51 H new ATOM 0 HG12 VAL A 17 5.082 9.697 4.343 1.00 64.51 H new ATOM 0 HG13 VAL A 17 5.253 7.933 4.181 1.00 64.51 H new ATOM 0 HG21 VAL A 17 2.430 7.335 5.400 1.00 41.42 H new ATOM 0 HG22 VAL A 17 3.861 6.411 5.914 1.00 41.42 H new ATOM 0 HG23 VAL A 17 2.871 7.263 7.122 1.00 41.42 H new ATOM 259 N ARG A 18 4.393 8.957 9.134 1.00 65.43 N ATOM 260 CA ARG A 18 3.712 8.567 10.383 1.00 72.11 C ATOM 261 C ARG A 18 2.203 8.582 10.114 1.00 3.21 C ATOM 262 O ARG A 18 1.641 9.619 9.724 1.00 60.02 O ATOM 263 CB ARG A 18 4.152 9.473 11.561 1.00 3.51 C ATOM 264 CG ARG A 18 3.999 10.992 11.356 1.00 13.44 C ATOM 265 CD ARG A 18 4.745 11.795 12.436 1.00 70.51 C ATOM 266 NE ARG A 18 4.299 11.476 13.815 1.00 62.12 N ATOM 267 CZ ARG A 18 4.071 12.379 14.784 1.00 33.15 C ATOM 268 NH1 ARG A 18 4.230 13.684 14.556 1.00 52.14 N ATOM 269 NH2 ARG A 18 3.709 11.965 15.986 1.00 32.31 N ATOM 0 H ARG A 18 4.390 9.962 8.961 1.00 65.43 H new ATOM 0 HA ARG A 18 3.992 7.560 10.691 1.00 72.11 H new ATOM 0 HB2 ARG A 18 3.578 9.188 12.443 1.00 3.51 H new ATOM 0 HB3 ARG A 18 5.199 9.262 11.781 1.00 3.51 H new ATOM 0 HG2 ARG A 18 4.380 11.266 10.372 1.00 13.44 H new ATOM 0 HG3 ARG A 18 2.942 11.256 11.373 1.00 13.44 H new ATOM 0 HD2 ARG A 18 5.814 11.598 12.352 1.00 70.51 H new ATOM 0 HD3 ARG A 18 4.601 12.860 12.252 1.00 70.51 H new ATOM 0 HE ARG A 18 4.154 10.493 14.046 1.00 62.12 H new ATOM 0 HH11 ARG A 18 4.528 14.008 13.636 1.00 52.14 H new ATOM 0 HH12 ARG A 18 4.053 14.357 15.302 1.00 52.14 H new ATOM 0 HH21 ARG A 18 3.605 10.968 16.172 1.00 32.31 H new ATOM 0 HH22 ARG A 18 3.534 12.643 16.728 1.00 32.31 H new ATOM 283 N ASN A 19 1.564 7.404 10.291 1.00 74.45 N ATOM 284 CA ASN A 19 0.244 7.106 9.722 1.00 31.22 C ATOM 285 C ASN A 19 -0.905 7.846 10.437 1.00 72.33 C ATOM 286 O ASN A 19 -1.486 7.383 11.427 1.00 32.34 O ATOM 287 CB ASN A 19 -0.005 5.568 9.614 1.00 40.15 C ATOM 288 CG ASN A 19 0.031 4.777 10.931 1.00 12.44 C ATOM 289 OD1 ASN A 19 0.704 5.147 11.895 1.00 23.42 O ATOM 290 ND2 ASN A 19 -0.677 3.650 10.951 1.00 73.14 N ATOM 0 H ASN A 19 1.956 6.635 10.835 1.00 74.45 H new ATOM 0 HA ASN A 19 0.251 7.499 8.705 1.00 31.22 H new ATOM 0 HB2 ASN A 19 -0.978 5.411 9.147 1.00 40.15 H new ATOM 0 HB3 ASN A 19 0.743 5.147 8.942 1.00 40.15 H new ATOM 0 HD21 ASN A 19 -0.674 3.061 11.783 1.00 73.14 H new ATOM 0 HD22 ASN A 19 -1.222 3.376 10.134 1.00 73.14 H new ATOM 297 N HIS A 20 -1.168 9.054 9.923 1.00 71.44 N ATOM 298 CA HIS A 20 -2.397 9.820 10.195 1.00 23.23 C ATOM 299 C HIS A 20 -3.558 9.179 9.348 1.00 5.11 C ATOM 300 O HIS A 20 -3.264 8.321 8.493 1.00 61.24 O ATOM 301 CB HIS A 20 -2.156 11.322 9.831 1.00 43.04 C ATOM 302 CG HIS A 20 -0.921 11.953 10.442 1.00 32.10 C ATOM 303 ND1 HIS A 20 -0.238 12.984 9.834 1.00 11.45 N ATOM 304 CD2 HIS A 20 -0.255 11.707 11.605 1.00 14.24 C ATOM 305 CE1 HIS A 20 0.785 13.341 10.585 1.00 74.32 C ATOM 306 NE2 HIS A 20 0.798 12.586 11.665 1.00 14.22 N ATOM 0 H HIS A 20 -0.524 9.537 9.296 1.00 71.44 H new ATOM 0 HA HIS A 20 -2.673 9.784 11.249 1.00 23.23 H new ATOM 0 HB2 HIS A 20 -2.088 11.408 8.747 1.00 43.04 H new ATOM 0 HB3 HIS A 20 -3.028 11.897 10.142 1.00 43.04 H new ATOM 0 HD2 HIS A 20 -0.508 10.960 12.342 1.00 14.24 H new ATOM 0 HE1 HIS A 20 1.494 14.122 10.354 1.00 74.32 H new ATOM 0 HE2 HIS A 20 1.479 12.645 12.422 1.00 14.22 H new ATOM 315 N PRO A 21 -4.880 9.526 9.586 1.00 11.54 N ATOM 316 CA PRO A 21 -6.040 8.911 8.850 1.00 33.11 C ATOM 317 C PRO A 21 -5.876 8.798 7.304 1.00 1.42 C ATOM 318 O PRO A 21 -6.014 9.790 6.581 1.00 31.30 O ATOM 319 CB PRO A 21 -7.215 9.840 9.226 1.00 44.24 C ATOM 320 CG PRO A 21 -6.877 10.322 10.606 1.00 30.10 C ATOM 321 CD PRO A 21 -5.368 10.495 10.624 1.00 13.12 C ATOM 0 HA PRO A 21 -6.168 7.868 9.139 1.00 33.11 H new ATOM 0 HB2 PRO A 21 -7.306 10.670 8.526 1.00 44.24 H new ATOM 0 HB3 PRO A 21 -8.165 9.306 9.212 1.00 44.24 H new ATOM 0 HG2 PRO A 21 -7.381 11.263 10.826 1.00 30.10 H new ATOM 0 HG3 PRO A 21 -7.198 9.604 11.361 1.00 30.10 H new ATOM 0 HD2 PRO A 21 -5.080 11.518 10.382 1.00 13.12 H new ATOM 0 HD3 PRO A 21 -4.952 10.271 11.606 1.00 13.12 H new ATOM 329 N GLY A 22 -5.531 7.573 6.845 1.00 70.23 N ATOM 330 CA GLY A 22 -5.468 7.223 5.420 1.00 0.14 C ATOM 331 C GLY A 22 -4.445 8.024 4.609 1.00 13.31 C ATOM 332 O GLY A 22 -4.754 8.494 3.518 1.00 44.51 O ATOM 0 H GLY A 22 -5.288 6.799 7.463 1.00 70.23 H new ATOM 0 HA2 GLY A 22 -5.232 6.163 5.330 1.00 0.14 H new ATOM 0 HA3 GLY A 22 -6.455 7.369 4.980 1.00 0.14 H new ATOM 336 N VAL A 23 -3.227 8.171 5.149 1.00 54.31 N ATOM 337 CA VAL A 23 -2.111 8.880 4.469 1.00 44.02 C ATOM 338 C VAL A 23 -1.589 8.123 3.234 1.00 34.20 C ATOM 339 O VAL A 23 -0.942 8.713 2.373 1.00 2.01 O ATOM 340 CB VAL A 23 -0.932 9.201 5.446 1.00 2.35 C ATOM 341 CG1 VAL A 23 -1.398 10.206 6.512 1.00 63.21 C ATOM 342 CG2 VAL A 23 -0.352 7.917 6.089 1.00 23.50 C ATOM 0 H VAL A 23 -2.978 7.806 6.068 1.00 54.31 H new ATOM 0 HA VAL A 23 -2.534 9.823 4.123 1.00 44.02 H new ATOM 0 HB VAL A 23 -0.123 9.652 4.872 1.00 2.35 H new ATOM 0 HG11 VAL A 23 -0.573 10.426 7.190 1.00 63.21 H new ATOM 0 HG12 VAL A 23 -1.724 11.126 6.027 1.00 63.21 H new ATOM 0 HG13 VAL A 23 -2.227 9.780 7.076 1.00 63.21 H new ATOM 0 HG21 VAL A 23 0.464 8.183 6.760 1.00 23.50 H new ATOM 0 HG22 VAL A 23 -1.134 7.407 6.652 1.00 23.50 H new ATOM 0 HG23 VAL A 23 0.022 7.256 5.307 1.00 23.50 H new ATOM 352 N MET A 24 -1.815 6.798 3.200 1.00 33.33 N ATOM 353 CA MET A 24 -1.420 5.934 2.067 1.00 14.11 C ATOM 354 C MET A 24 -2.083 6.381 0.740 1.00 64.43 C ATOM 355 O MET A 24 -1.557 6.104 -0.341 1.00 42.44 O ATOM 356 CB MET A 24 -1.720 4.443 2.354 1.00 75.13 C ATOM 357 CG MET A 24 -1.073 3.901 3.638 1.00 40.04 C ATOM 358 SD MET A 24 -1.810 4.580 5.144 1.00 13.23 S ATOM 359 CE MET A 24 -0.841 3.758 6.408 1.00 50.42 C ATOM 0 H MET A 24 -2.277 6.293 3.956 1.00 33.33 H new ATOM 0 HA MET A 24 -0.342 6.044 1.952 1.00 14.11 H new ATOM 0 HB2 MET A 24 -2.800 4.309 2.421 1.00 75.13 H new ATOM 0 HB3 MET A 24 -1.376 3.847 1.509 1.00 75.13 H new ATOM 0 HG2 MET A 24 -1.164 2.815 3.653 1.00 40.04 H new ATOM 0 HG3 MET A 24 -0.008 4.131 3.626 1.00 40.04 H new ATOM 0 HE1 MET A 24 -1.249 3.994 7.391 1.00 50.42 H new ATOM 0 HE2 MET A 24 -0.876 2.680 6.250 1.00 50.42 H new ATOM 0 HE3 MET A 24 0.193 4.099 6.353 1.00 50.42 H new ATOM 369 N THR A 25 -3.255 7.048 0.831 1.00 30.23 N ATOM 370 CA THR A 25 -3.926 7.645 -0.348 1.00 11.34 C ATOM 371 C THR A 25 -3.064 8.759 -0.989 1.00 33.42 C ATOM 372 O THR A 25 -3.131 8.974 -2.205 1.00 22.43 O ATOM 373 CB THR A 25 -5.335 8.227 0.003 1.00 31.31 C ATOM 374 OG1 THR A 25 -5.208 9.313 0.941 1.00 22.10 O ATOM 375 CG2 THR A 25 -6.263 7.148 0.589 1.00 2.11 C ATOM 0 H THR A 25 -3.757 7.187 1.708 1.00 30.23 H new ATOM 0 HA THR A 25 -4.055 6.832 -1.063 1.00 11.34 H new ATOM 0 HB THR A 25 -5.778 8.593 -0.923 1.00 31.31 H new ATOM 0 HG1 THR A 25 -5.065 8.953 1.841 1.00 22.10 H new ATOM 0 HG21 THR A 25 -7.233 7.589 0.821 1.00 2.11 H new ATOM 0 HG22 THR A 25 -6.393 6.346 -0.138 1.00 2.11 H new ATOM 0 HG23 THR A 25 -5.821 6.744 1.500 1.00 2.11 H new ATOM 383 N HIS A 26 -2.258 9.456 -0.143 1.00 62.41 N ATOM 384 CA HIS A 26 -1.319 10.509 -0.594 1.00 4.50 C ATOM 385 C HIS A 26 -0.254 9.901 -1.511 1.00 44.33 C ATOM 386 O HIS A 26 -0.086 10.347 -2.640 1.00 21.24 O ATOM 387 CB HIS A 26 -0.598 11.213 0.604 1.00 13.41 C ATOM 388 CG HIS A 26 -1.483 11.897 1.608 1.00 21.40 C ATOM 389 ND1 HIS A 26 -1.002 12.362 2.813 1.00 54.41 N ATOM 390 CD2 HIS A 26 -2.801 12.214 1.590 1.00 74.05 C ATOM 391 CE1 HIS A 26 -1.977 12.928 3.485 1.00 31.44 C ATOM 392 NE2 HIS A 26 -3.080 12.855 2.767 1.00 31.45 N ATOM 0 H HIS A 26 -2.244 9.302 0.865 1.00 62.41 H new ATOM 0 HA HIS A 26 -1.910 11.254 -1.127 1.00 4.50 H new ATOM 0 HB2 HIS A 26 0.001 10.468 1.128 1.00 13.41 H new ATOM 0 HB3 HIS A 26 0.094 11.951 0.200 1.00 13.41 H new ATOM 0 HD2 HIS A 26 -3.500 12.001 0.795 1.00 74.05 H new ATOM 0 HE1 HIS A 26 -1.890 13.378 4.463 1.00 31.44 H new ATOM 0 HE2 HIS A 26 -3.993 13.217 3.043 1.00 31.45 H new ATOM 401 N VAL A 27 0.422 8.846 -1.009 1.00 2.12 N ATOM 402 CA VAL A 27 1.582 8.238 -1.687 1.00 61.45 C ATOM 403 C VAL A 27 1.153 7.540 -3.008 1.00 3.43 C ATOM 404 O VAL A 27 1.745 7.789 -4.086 1.00 74.23 O ATOM 405 CB VAL A 27 2.376 7.272 -0.710 1.00 2.11 C ATOM 406 CG1 VAL A 27 2.815 8.016 0.578 1.00 2.13 C ATOM 407 CG2 VAL A 27 1.581 6.001 -0.339 1.00 30.13 C ATOM 0 H VAL A 27 0.179 8.395 -0.127 1.00 2.12 H new ATOM 0 HA VAL A 27 2.274 9.033 -1.965 1.00 61.45 H new ATOM 0 HB VAL A 27 3.261 6.951 -1.260 1.00 2.11 H new ATOM 0 HG11 VAL A 27 3.357 7.329 1.228 1.00 2.13 H new ATOM 0 HG12 VAL A 27 3.463 8.852 0.313 1.00 2.13 H new ATOM 0 HG13 VAL A 27 1.934 8.391 1.100 1.00 2.13 H new ATOM 0 HG21 VAL A 27 2.177 5.381 0.331 1.00 30.13 H new ATOM 0 HG22 VAL A 27 0.653 6.284 0.158 1.00 30.13 H new ATOM 0 HG23 VAL A 27 1.350 5.439 -1.244 1.00 30.13 H new ATOM 417 N CYS A 28 0.049 6.754 -2.920 1.00 22.34 N ATOM 418 CA CYS A 28 -0.519 6.030 -4.058 1.00 62.23 C ATOM 419 C CYS A 28 -0.993 7.014 -5.124 1.00 12.31 C ATOM 420 O CYS A 28 -0.642 6.874 -6.295 1.00 71.54 O ATOM 421 CB CYS A 28 -1.702 5.146 -3.618 1.00 22.22 C ATOM 422 SG CYS A 28 -2.598 4.404 -5.002 1.00 73.42 S ATOM 0 H CYS A 28 -0.464 6.613 -2.050 1.00 22.34 H new ATOM 0 HA CYS A 28 0.261 5.390 -4.470 1.00 62.23 H new ATOM 0 HB2 CYS A 28 -1.331 4.353 -2.968 1.00 22.22 H new ATOM 0 HB3 CYS A 28 -2.394 5.746 -3.027 1.00 22.22 H new ATOM 0 HG CYS A 28 -2.069 3.253 -5.294 1.00 73.42 H new ATOM 428 N GLY A 29 -1.759 8.025 -4.676 1.00 3.24 N ATOM 429 CA GLY A 29 -2.360 9.008 -5.564 1.00 65.43 C ATOM 430 C GLY A 29 -1.333 9.865 -6.281 1.00 14.11 C ATOM 431 O GLY A 29 -1.480 10.116 -7.471 1.00 72.34 O ATOM 0 H GLY A 29 -1.972 8.174 -3.690 1.00 3.24 H new ATOM 0 HA2 GLY A 29 -2.976 8.494 -6.302 1.00 65.43 H new ATOM 0 HA3 GLY A 29 -3.024 9.652 -4.988 1.00 65.43 H new ATOM 435 N LEU A 30 -0.265 10.251 -5.557 1.00 72.11 N ATOM 436 CA LEU A 30 0.759 11.196 -6.044 1.00 12.23 C ATOM 437 C LEU A 30 1.527 10.619 -7.243 1.00 13.41 C ATOM 438 O LEU A 30 1.710 11.299 -8.256 1.00 61.12 O ATOM 439 CB LEU A 30 1.744 11.598 -4.885 1.00 43.42 C ATOM 440 CG LEU A 30 1.848 13.125 -4.560 1.00 0.41 C ATOM 441 CD1 LEU A 30 2.406 13.923 -5.750 1.00 53.54 C ATOM 442 CD2 LEU A 30 0.491 13.703 -4.091 1.00 22.41 C ATOM 0 H LEU A 30 -0.087 9.914 -4.611 1.00 72.11 H new ATOM 0 HA LEU A 30 0.247 12.097 -6.383 1.00 12.23 H new ATOM 0 HB2 LEU A 30 1.437 11.076 -3.979 1.00 43.42 H new ATOM 0 HB3 LEU A 30 2.739 11.234 -5.141 1.00 43.42 H new ATOM 0 HG LEU A 30 2.553 13.226 -3.735 1.00 0.41 H new ATOM 0 HD11 LEU A 30 2.463 14.979 -5.485 1.00 53.54 H new ATOM 0 HD12 LEU A 30 3.402 13.557 -5.999 1.00 53.54 H new ATOM 0 HD13 LEU A 30 1.749 13.800 -6.611 1.00 53.54 H new ATOM 0 HD21 LEU A 30 0.603 14.765 -3.875 1.00 22.41 H new ATOM 0 HD22 LEU A 30 -0.253 13.569 -4.877 1.00 22.41 H new ATOM 0 HD23 LEU A 30 0.165 13.182 -3.191 1.00 22.41 H new ATOM 454 N PHE A 31 1.994 9.369 -7.105 1.00 72.53 N ATOM 455 CA PHE A 31 2.830 8.736 -8.150 1.00 41.34 C ATOM 456 C PHE A 31 1.975 8.153 -9.299 1.00 21.42 C ATOM 457 O PHE A 31 2.446 8.066 -10.442 1.00 61.44 O ATOM 458 CB PHE A 31 3.780 7.704 -7.499 1.00 71.11 C ATOM 459 CG PHE A 31 4.612 8.324 -6.361 1.00 12.51 C ATOM 460 CD1 PHE A 31 5.285 9.540 -6.547 1.00 33.55 C ATOM 461 CD2 PHE A 31 4.670 7.734 -5.104 1.00 24.51 C ATOM 462 CE1 PHE A 31 5.998 10.122 -5.516 1.00 51.03 C ATOM 463 CE2 PHE A 31 5.378 8.322 -4.073 1.00 53.04 C ATOM 464 CZ PHE A 31 6.039 9.516 -4.277 1.00 74.13 C ATOM 0 H PHE A 31 1.813 8.779 -6.293 1.00 72.53 H new ATOM 0 HA PHE A 31 3.451 9.497 -8.623 1.00 41.34 H new ATOM 0 HB2 PHE A 31 3.197 6.870 -7.109 1.00 71.11 H new ATOM 0 HB3 PHE A 31 4.449 7.298 -8.258 1.00 71.11 H new ATOM 0 HD1 PHE A 31 5.246 10.029 -7.509 1.00 33.55 H new ATOM 0 HD2 PHE A 31 4.154 6.801 -4.930 1.00 24.51 H new ATOM 0 HE1 PHE A 31 6.523 11.051 -5.680 1.00 51.03 H new ATOM 0 HE2 PHE A 31 5.414 7.845 -3.104 1.00 53.04 H new ATOM 0 HZ PHE A 31 6.588 9.976 -3.468 1.00 74.13 H new ATOM 474 N ALA A 32 0.718 7.770 -8.986 1.00 41.01 N ATOM 475 CA ALA A 32 -0.247 7.260 -9.986 1.00 4.21 C ATOM 476 C ALA A 32 -0.757 8.380 -10.921 1.00 62.35 C ATOM 477 O ALA A 32 -0.940 8.157 -12.126 1.00 12.43 O ATOM 478 CB ALA A 32 -1.430 6.573 -9.284 1.00 22.01 C ATOM 0 H ALA A 32 0.344 7.805 -8.038 1.00 41.01 H new ATOM 0 HA ALA A 32 0.277 6.531 -10.604 1.00 4.21 H new ATOM 0 HB1 ALA A 32 -2.132 6.203 -10.032 1.00 22.01 H new ATOM 0 HB2 ALA A 32 -1.063 5.739 -8.686 1.00 22.01 H new ATOM 0 HB3 ALA A 32 -1.935 7.290 -8.636 1.00 22.01 H new ATOM 484 N ARG A 33 -0.959 9.595 -10.358 1.00 21.31 N ATOM 485 CA ARG A 33 -1.539 10.749 -11.098 1.00 1.30 C ATOM 486 C ARG A 33 -0.530 11.371 -12.077 1.00 33.24 C ATOM 487 O ARG A 33 -0.897 12.265 -12.857 1.00 73.13 O ATOM 488 CB ARG A 33 -2.068 11.835 -10.115 1.00 34.55 C ATOM 489 CG ARG A 33 -0.969 12.625 -9.356 1.00 65.34 C ATOM 490 CD ARG A 33 -1.524 13.453 -8.183 1.00 13.43 C ATOM 491 NE ARG A 33 -2.490 14.477 -8.621 1.00 31.01 N ATOM 492 CZ ARG A 33 -3.318 15.160 -7.812 1.00 31.11 C ATOM 493 NH1 ARG A 33 -3.324 14.946 -6.494 1.00 24.11 N ATOM 494 NH2 ARG A 33 -4.135 16.058 -8.330 1.00 53.55 N ATOM 0 H ARG A 33 -0.728 9.805 -9.387 1.00 21.31 H new ATOM 0 HA ARG A 33 -2.375 10.362 -11.680 1.00 1.30 H new ATOM 0 HB2 ARG A 33 -2.681 12.542 -10.674 1.00 34.55 H new ATOM 0 HB3 ARG A 33 -2.720 11.356 -9.384 1.00 34.55 H new ATOM 0 HG2 ARG A 33 -0.222 11.926 -8.979 1.00 65.34 H new ATOM 0 HG3 ARG A 33 -0.460 13.290 -10.054 1.00 65.34 H new ATOM 0 HD2 ARG A 33 -2.006 12.786 -7.468 1.00 13.43 H new ATOM 0 HD3 ARG A 33 -0.698 13.937 -7.661 1.00 13.43 H new ATOM 0 HE ARG A 33 -2.533 14.684 -9.619 1.00 31.01 H new ATOM 0 HH11 ARG A 33 -2.694 14.255 -6.087 1.00 24.11 H new ATOM 0 HH12 ARG A 33 -3.959 15.473 -5.895 1.00 24.11 H new ATOM 0 HH21 ARG A 33 -4.134 16.228 -9.336 1.00 53.55 H new ATOM 0 HH22 ARG A 33 -4.767 16.582 -7.725 1.00 53.55 H new ATOM 508 N ARG A 34 0.736 10.909 -12.022 1.00 30.33 N ATOM 509 CA ARG A 34 1.786 11.369 -12.927 1.00 71.42 C ATOM 510 C ARG A 34 1.465 10.893 -14.359 1.00 74.02 C ATOM 511 O ARG A 34 1.360 11.710 -15.275 1.00 63.34 O ATOM 512 CB ARG A 34 3.158 10.820 -12.477 1.00 72.04 C ATOM 513 CG ARG A 34 4.373 11.434 -13.224 1.00 54.42 C ATOM 514 CD ARG A 34 5.524 10.442 -13.375 1.00 43.52 C ATOM 515 NE ARG A 34 5.164 9.333 -14.276 1.00 72.21 N ATOM 516 CZ ARG A 34 5.492 8.048 -14.105 1.00 10.04 C ATOM 517 NH1 ARG A 34 6.205 7.651 -13.060 1.00 50.31 N ATOM 518 NH2 ARG A 34 5.132 7.170 -15.011 1.00 22.05 N ATOM 0 H ARG A 34 1.049 10.210 -11.349 1.00 30.33 H new ATOM 0 HA ARG A 34 1.829 12.458 -12.908 1.00 71.42 H new ATOM 0 HB2 ARG A 34 3.275 11.001 -11.409 1.00 72.04 H new ATOM 0 HB3 ARG A 34 3.168 9.739 -12.620 1.00 72.04 H new ATOM 0 HG2 ARG A 34 4.057 11.772 -14.211 1.00 54.42 H new ATOM 0 HG3 ARG A 34 4.723 12.313 -12.683 1.00 54.42 H new ATOM 0 HD2 ARG A 34 6.402 10.958 -13.763 1.00 43.52 H new ATOM 0 HD3 ARG A 34 5.794 10.045 -12.397 1.00 43.52 H new ATOM 0 HE ARG A 34 4.616 9.566 -15.104 1.00 72.21 H new ATOM 0 HH11 ARG A 34 6.515 8.331 -12.366 1.00 50.31 H new ATOM 0 HH12 ARG A 34 6.443 6.665 -12.950 1.00 50.31 H new ATOM 0 HH21 ARG A 34 4.609 7.471 -15.833 1.00 22.05 H new ATOM 0 HH22 ARG A 34 5.376 6.187 -14.893 1.00 22.05 H new ATOM 532 N ALA A 35 1.275 9.554 -14.514 1.00 2.35 N ATOM 533 CA ALA A 35 0.918 8.921 -15.802 1.00 52.54 C ATOM 534 C ALA A 35 0.678 7.411 -15.626 1.00 75.31 C ATOM 535 O ALA A 35 -0.360 6.894 -16.046 1.00 1.42 O ATOM 536 CB ALA A 35 1.997 9.168 -16.876 1.00 70.41 C ATOM 0 H ALA A 35 1.366 8.889 -13.746 1.00 2.35 H new ATOM 0 HA ALA A 35 -0.008 9.384 -16.143 1.00 52.54 H new ATOM 0 HB1 ALA A 35 1.699 8.688 -17.808 1.00 70.41 H new ATOM 0 HB2 ALA A 35 2.109 10.240 -17.040 1.00 70.41 H new ATOM 0 HB3 ALA A 35 2.947 8.751 -16.540 1.00 70.41 H new ATOM 542 N PHE A 36 1.659 6.718 -15.019 1.00 5.01 N ATOM 543 CA PHE A 36 1.623 5.248 -14.832 1.00 64.31 C ATOM 544 C PHE A 36 1.047 4.905 -13.447 1.00 74.12 C ATOM 545 O PHE A 36 1.333 5.598 -12.465 1.00 4.15 O ATOM 546 CB PHE A 36 3.054 4.665 -14.996 1.00 64.55 C ATOM 547 CG PHE A 36 3.179 3.140 -14.848 1.00 72.13 C ATOM 548 CD1 PHE A 36 2.457 2.277 -15.675 1.00 21.54 C ATOM 549 CD2 PHE A 36 4.023 2.574 -13.887 1.00 62.25 C ATOM 550 CE1 PHE A 36 2.579 0.904 -15.547 1.00 70.41 C ATOM 551 CE2 PHE A 36 4.144 1.203 -13.763 1.00 62.35 C ATOM 552 CZ PHE A 36 3.422 0.369 -14.591 1.00 31.53 C ATOM 0 H PHE A 36 2.500 7.157 -14.643 1.00 5.01 H new ATOM 0 HA PHE A 36 0.977 4.803 -15.588 1.00 64.31 H new ATOM 0 HB2 PHE A 36 3.430 4.947 -15.980 1.00 64.55 H new ATOM 0 HB3 PHE A 36 3.704 5.137 -14.259 1.00 64.55 H new ATOM 0 HD1 PHE A 36 1.795 2.686 -16.424 1.00 21.54 H new ATOM 0 HD2 PHE A 36 4.589 3.219 -13.231 1.00 62.25 H new ATOM 0 HE1 PHE A 36 2.015 0.250 -16.195 1.00 70.41 H new ATOM 0 HE2 PHE A 36 4.804 0.784 -13.018 1.00 62.35 H new ATOM 0 HZ PHE A 36 3.515 -0.702 -14.492 1.00 31.53 H new ATOM 562 N ASN A 37 0.245 3.824 -13.394 1.00 11.10 N ATOM 563 CA ASN A 37 -0.355 3.312 -12.146 1.00 63.14 C ATOM 564 C ASN A 37 0.729 2.641 -11.289 1.00 61.20 C ATOM 565 O ASN A 37 1.719 2.140 -11.828 1.00 65.41 O ATOM 566 CB ASN A 37 -1.490 2.286 -12.451 1.00 2.44 C ATOM 567 CG ASN A 37 -2.527 2.789 -13.457 1.00 32.11 C ATOM 568 OD1 ASN A 37 -2.711 3.991 -13.646 1.00 23.51 O ATOM 569 ND2 ASN A 37 -3.239 1.867 -14.088 1.00 61.05 N ATOM 0 H ASN A 37 -0.006 3.279 -14.219 1.00 11.10 H new ATOM 0 HA ASN A 37 -0.787 4.153 -11.603 1.00 63.14 H new ATOM 0 HB2 ASN A 37 -1.043 1.368 -12.833 1.00 2.44 H new ATOM 0 HB3 ASN A 37 -1.996 2.031 -11.520 1.00 2.44 H new ATOM 0 HD21 ASN A 37 -3.962 2.146 -14.751 1.00 61.05 H new ATOM 0 HD22 ASN A 37 -3.064 0.878 -13.911 1.00 61.05 H new ATOM 576 N VAL A 38 0.530 2.631 -9.964 1.00 44.11 N ATOM 577 CA VAL A 38 1.457 1.981 -9.025 1.00 5.32 C ATOM 578 C VAL A 38 1.497 0.453 -9.283 1.00 40.54 C ATOM 579 O VAL A 38 0.451 -0.202 -9.304 1.00 54.21 O ATOM 580 CB VAL A 38 1.059 2.253 -7.527 1.00 21.10 C ATOM 581 CG1 VAL A 38 2.002 1.499 -6.558 1.00 11.12 C ATOM 582 CG2 VAL A 38 1.034 3.772 -7.205 1.00 63.31 C ATOM 0 H VAL A 38 -0.273 3.070 -9.514 1.00 44.11 H new ATOM 0 HA VAL A 38 2.445 2.409 -9.195 1.00 5.32 H new ATOM 0 HB VAL A 38 0.047 1.872 -7.385 1.00 21.10 H new ATOM 0 HG11 VAL A 38 1.706 1.704 -5.529 1.00 11.12 H new ATOM 0 HG12 VAL A 38 1.938 0.428 -6.748 1.00 11.12 H new ATOM 0 HG13 VAL A 38 3.027 1.834 -6.714 1.00 11.12 H new ATOM 0 HG21 VAL A 38 0.755 3.918 -6.162 1.00 63.31 H new ATOM 0 HG22 VAL A 38 2.022 4.197 -7.379 1.00 63.31 H new ATOM 0 HG23 VAL A 38 0.307 4.268 -7.848 1.00 63.31 H new ATOM 592 N GLU A 39 2.708 -0.076 -9.502 1.00 40.53 N ATOM 593 CA GLU A 39 2.961 -1.515 -9.691 1.00 74.34 C ATOM 594 C GLU A 39 2.825 -2.266 -8.343 1.00 51.01 C ATOM 595 O GLU A 39 2.074 -3.246 -8.236 1.00 24.51 O ATOM 596 CB GLU A 39 4.388 -1.715 -10.283 1.00 65.22 C ATOM 597 CG GLU A 39 4.822 -3.190 -10.486 1.00 75.12 C ATOM 598 CD GLU A 39 6.339 -3.361 -10.685 1.00 31.54 C ATOM 599 OE1 GLU A 39 7.081 -3.095 -9.722 1.00 54.30 O ATOM 600 OE2 GLU A 39 6.789 -3.778 -11.775 1.00 2.12 O ATOM 0 H GLU A 39 3.554 0.491 -9.554 1.00 40.53 H new ATOM 0 HA GLU A 39 2.225 -1.923 -10.384 1.00 74.34 H new ATOM 0 HB2 GLU A 39 4.440 -1.203 -11.244 1.00 65.22 H new ATOM 0 HB3 GLU A 39 5.108 -1.229 -9.624 1.00 65.22 H new ATOM 0 HG2 GLU A 39 4.509 -3.775 -9.621 1.00 75.12 H new ATOM 0 HG3 GLU A 39 4.301 -3.598 -11.353 1.00 75.12 H new ATOM 607 N GLY A 40 3.541 -1.771 -7.314 1.00 14.21 N ATOM 608 CA GLY A 40 3.645 -2.465 -6.019 1.00 34.44 C ATOM 609 C GLY A 40 3.761 -1.503 -4.846 1.00 43.20 C ATOM 610 O GLY A 40 4.185 -0.371 -5.014 1.00 62.02 O ATOM 0 H GLY A 40 4.056 -0.892 -7.357 1.00 14.21 H new ATOM 0 HA2 GLY A 40 2.769 -3.098 -5.879 1.00 34.44 H new ATOM 0 HA3 GLY A 40 4.514 -3.122 -6.032 1.00 34.44 H new ATOM 614 N ILE A 41 3.333 -1.948 -3.655 1.00 63.41 N ATOM 615 CA ILE A 41 3.428 -1.172 -2.392 1.00 33.20 C ATOM 616 C ILE A 41 3.939 -2.100 -1.278 1.00 53.14 C ATOM 617 O ILE A 41 3.677 -3.306 -1.298 1.00 5.31 O ATOM 618 CB ILE A 41 2.034 -0.544 -1.959 1.00 53.12 C ATOM 619 CG1 ILE A 41 1.505 0.451 -3.038 1.00 22.44 C ATOM 620 CG2 ILE A 41 2.102 0.139 -0.572 1.00 63.01 C ATOM 621 CD1 ILE A 41 0.236 1.201 -2.664 1.00 33.21 C ATOM 0 H ILE A 41 2.905 -2.866 -3.532 1.00 63.41 H new ATOM 0 HA ILE A 41 4.117 -0.344 -2.558 1.00 33.20 H new ATOM 0 HB ILE A 41 1.329 -1.372 -1.877 1.00 53.12 H new ATOM 0 HG12 ILE A 41 2.288 1.179 -3.252 1.00 22.44 H new ATOM 0 HG13 ILE A 41 1.323 -0.102 -3.960 1.00 22.44 H new ATOM 0 HG21 ILE A 41 1.125 0.552 -0.322 1.00 63.01 H new ATOM 0 HG22 ILE A 41 2.389 -0.595 0.181 1.00 63.01 H new ATOM 0 HG23 ILE A 41 2.840 0.941 -0.597 1.00 63.01 H new ATOM 0 HD11 ILE A 41 -0.048 1.866 -3.480 1.00 33.21 H new ATOM 0 HD12 ILE A 41 -0.568 0.488 -2.481 1.00 33.21 H new ATOM 0 HD13 ILE A 41 0.412 1.788 -1.763 1.00 33.21 H new ATOM 633 N LEU A 42 4.679 -1.533 -0.323 1.00 41.31 N ATOM 634 CA LEU A 42 5.060 -2.223 0.913 1.00 15.44 C ATOM 635 C LEU A 42 5.046 -1.214 2.070 1.00 54.24 C ATOM 636 O LEU A 42 5.955 -0.422 2.206 1.00 0.52 O ATOM 637 CB LEU A 42 6.446 -2.907 0.736 1.00 2.31 C ATOM 638 CG LEU A 42 7.023 -3.685 1.970 1.00 23.31 C ATOM 639 CD1 LEU A 42 5.984 -4.634 2.583 1.00 24.20 C ATOM 640 CD2 LEU A 42 8.305 -4.448 1.570 1.00 3.43 C ATOM 0 H LEU A 42 5.033 -0.578 -0.385 1.00 41.31 H new ATOM 0 HA LEU A 42 4.346 -3.013 1.146 1.00 15.44 H new ATOM 0 HB2 LEU A 42 6.375 -3.603 -0.100 1.00 2.31 H new ATOM 0 HB3 LEU A 42 7.167 -2.141 0.452 1.00 2.31 H new ATOM 0 HG LEU A 42 7.278 -2.954 2.737 1.00 23.31 H new ATOM 0 HD11 LEU A 42 6.423 -5.153 3.435 1.00 24.20 H new ATOM 0 HD12 LEU A 42 5.119 -4.061 2.915 1.00 24.20 H new ATOM 0 HD13 LEU A 42 5.671 -5.363 1.835 1.00 24.20 H new ATOM 0 HD21 LEU A 42 8.695 -4.983 2.436 1.00 3.43 H new ATOM 0 HD22 LEU A 42 8.073 -5.160 0.778 1.00 3.43 H new ATOM 0 HD23 LEU A 42 9.054 -3.740 1.214 1.00 3.43 H new ATOM 652 N CYS A 43 3.964 -1.205 2.852 1.00 44.13 N ATOM 653 CA CYS A 43 3.844 -0.378 4.066 1.00 53.55 C ATOM 654 C CYS A 43 4.230 -1.228 5.284 1.00 2.45 C ATOM 655 O CYS A 43 3.439 -2.055 5.756 1.00 21.25 O ATOM 656 CB CYS A 43 2.407 0.174 4.184 1.00 12.22 C ATOM 657 SG CYS A 43 2.064 1.165 5.652 1.00 3.15 S ATOM 0 H CYS A 43 3.138 -1.773 2.664 1.00 44.13 H new ATOM 0 HA CYS A 43 4.518 0.477 4.014 1.00 53.55 H new ATOM 0 HB2 CYS A 43 2.197 0.780 3.303 1.00 12.22 H new ATOM 0 HB3 CYS A 43 1.713 -0.666 4.166 1.00 12.22 H new ATOM 0 HG CYS A 43 0.786 1.388 5.736 1.00 3.15 H new ATOM 663 N LEU A 44 5.483 -1.060 5.736 1.00 11.51 N ATOM 664 CA LEU A 44 6.054 -1.788 6.881 1.00 12.33 C ATOM 665 C LEU A 44 5.953 -0.894 8.136 1.00 74.33 C ATOM 666 O LEU A 44 6.697 0.103 8.231 1.00 64.44 O ATOM 667 CB LEU A 44 7.537 -2.138 6.588 1.00 54.01 C ATOM 668 CG LEU A 44 8.243 -3.171 7.529 1.00 15.13 C ATOM 669 CD1 LEU A 44 7.739 -4.600 7.258 1.00 33.44 C ATOM 670 CD2 LEU A 44 9.774 -3.100 7.383 1.00 24.22 C ATOM 0 H LEU A 44 6.138 -0.405 5.310 1.00 11.51 H new ATOM 0 HA LEU A 44 5.505 -2.714 7.049 1.00 12.33 H new ATOM 0 HB2 LEU A 44 7.596 -2.519 5.568 1.00 54.01 H new ATOM 0 HB3 LEU A 44 8.111 -1.212 6.616 1.00 54.01 H new ATOM 0 HG LEU A 44 7.989 -2.909 8.556 1.00 15.13 H new ATOM 0 HD11 LEU A 44 8.246 -5.297 7.925 1.00 33.44 H new ATOM 0 HD12 LEU A 44 6.664 -4.646 7.433 1.00 33.44 H new ATOM 0 HD13 LEU A 44 7.950 -4.870 6.223 1.00 33.44 H new ATOM 0 HD21 LEU A 44 10.237 -3.829 8.048 1.00 24.22 H new ATOM 0 HD22 LEU A 44 10.052 -3.322 6.353 1.00 24.22 H new ATOM 0 HD23 LEU A 44 10.118 -2.099 7.644 1.00 24.22 H new ATOM 682 N PRO A 45 5.009 -1.190 9.089 1.00 33.33 N ATOM 683 CA PRO A 45 4.870 -0.406 10.336 1.00 21.34 C ATOM 684 C PRO A 45 6.110 -0.581 11.241 1.00 22.12 C ATOM 685 O PRO A 45 6.452 -1.708 11.626 1.00 75.11 O ATOM 686 CB PRO A 45 3.579 -0.973 10.989 1.00 72.34 C ATOM 687 CG PRO A 45 3.438 -2.362 10.423 1.00 32.23 C ATOM 688 CD PRO A 45 4.004 -2.298 9.018 1.00 62.54 C ATOM 0 HA PRO A 45 4.800 0.668 10.162 1.00 21.34 H new ATOM 0 HB2 PRO A 45 3.663 -0.995 12.076 1.00 72.34 H new ATOM 0 HB3 PRO A 45 2.712 -0.358 10.749 1.00 72.34 H new ATOM 0 HG2 PRO A 45 3.980 -3.088 11.030 1.00 32.23 H new ATOM 0 HG3 PRO A 45 2.394 -2.674 10.410 1.00 32.23 H new ATOM 0 HD2 PRO A 45 4.468 -3.241 8.730 1.00 62.54 H new ATOM 0 HD3 PRO A 45 3.227 -2.087 8.283 1.00 62.54 H new ATOM 696 N ILE A 46 6.784 0.538 11.530 1.00 1.34 N ATOM 697 CA ILE A 46 8.009 0.563 12.336 1.00 33.43 C ATOM 698 C ILE A 46 7.685 0.232 13.804 1.00 72.21 C ATOM 699 O ILE A 46 6.837 0.887 14.415 1.00 53.52 O ATOM 700 CB ILE A 46 8.731 1.960 12.228 1.00 34.35 C ATOM 701 CG1 ILE A 46 9.023 2.313 10.732 1.00 13.40 C ATOM 702 CG2 ILE A 46 10.030 1.995 13.073 1.00 12.42 C ATOM 703 CD1 ILE A 46 9.878 1.299 9.990 1.00 34.22 C ATOM 0 H ILE A 46 6.491 1.460 11.208 1.00 1.34 H new ATOM 0 HA ILE A 46 8.690 -0.195 11.947 1.00 33.43 H new ATOM 0 HB ILE A 46 8.059 2.716 12.634 1.00 34.35 H new ATOM 0 HG12 ILE A 46 8.074 2.419 10.207 1.00 13.40 H new ATOM 0 HG13 ILE A 46 9.519 3.283 10.693 1.00 13.40 H new ATOM 0 HG21 ILE A 46 10.502 2.973 12.975 1.00 12.42 H new ATOM 0 HG22 ILE A 46 9.788 1.812 14.120 1.00 12.42 H new ATOM 0 HG23 ILE A 46 10.715 1.225 12.719 1.00 12.42 H new ATOM 0 HD11 ILE A 46 10.026 1.630 8.962 1.00 34.22 H new ATOM 0 HD12 ILE A 46 10.845 1.208 10.484 1.00 34.22 H new ATOM 0 HD13 ILE A 46 9.377 0.331 9.991 1.00 34.22 H new ATOM 715 N GLN A 47 8.366 -0.791 14.351 1.00 61.42 N ATOM 716 CA GLN A 47 8.142 -1.263 15.736 1.00 31.23 C ATOM 717 C GLN A 47 8.716 -0.270 16.766 1.00 22.33 C ATOM 718 O GLN A 47 8.251 -0.210 17.911 1.00 14.54 O ATOM 719 CB GLN A 47 8.786 -2.663 15.927 1.00 12.11 C ATOM 720 CG GLN A 47 10.331 -2.672 15.899 1.00 44.42 C ATOM 721 CD GLN A 47 10.928 -4.076 15.896 1.00 43.32 C ATOM 722 OE1 GLN A 47 11.153 -4.670 16.946 1.00 14.35 O ATOM 723 NE2 GLN A 47 11.203 -4.605 14.716 1.00 75.55 N ATOM 0 H GLN A 47 9.085 -1.314 13.851 1.00 61.42 H new ATOM 0 HA GLN A 47 7.067 -1.333 15.902 1.00 31.23 H new ATOM 0 HB2 GLN A 47 8.451 -3.075 16.879 1.00 12.11 H new ATOM 0 HB3 GLN A 47 8.418 -3.327 15.145 1.00 12.11 H new ATOM 0 HG2 GLN A 47 10.674 -2.137 15.013 1.00 44.42 H new ATOM 0 HG3 GLN A 47 10.706 -2.127 16.766 1.00 44.42 H new ATOM 0 HE21 GLN A 47 11.002 -4.082 13.863 1.00 75.55 H new ATOM 0 HE22 GLN A 47 11.616 -5.536 14.658 1.00 75.55 H new ATOM 732 N ASP A 48 9.726 0.506 16.328 1.00 55.53 N ATOM 733 CA ASP A 48 10.486 1.435 17.182 1.00 73.32 C ATOM 734 C ASP A 48 9.620 2.609 17.678 1.00 54.20 C ATOM 735 O ASP A 48 9.718 3.011 18.842 1.00 4.53 O ATOM 736 CB ASP A 48 11.722 1.960 16.396 1.00 72.14 C ATOM 737 CG ASP A 48 12.504 3.064 17.131 1.00 51.41 C ATOM 738 OD1 ASP A 48 13.336 2.742 18.002 1.00 42.20 O ATOM 739 OD2 ASP A 48 12.293 4.262 16.838 1.00 74.43 O ATOM 0 H ASP A 48 10.040 0.504 15.358 1.00 55.53 H new ATOM 0 HA ASP A 48 10.815 0.891 18.067 1.00 73.32 H new ATOM 0 HB2 ASP A 48 12.393 1.125 16.194 1.00 72.14 H new ATOM 0 HB3 ASP A 48 11.391 2.344 15.431 1.00 72.14 H new ATOM 744 N SER A 49 8.772 3.137 16.786 1.00 33.35 N ATOM 745 CA SER A 49 7.980 4.359 17.040 1.00 51.23 C ATOM 746 C SER A 49 6.800 4.445 16.061 1.00 13.14 C ATOM 747 O SER A 49 6.660 3.583 15.182 1.00 53.11 O ATOM 748 CB SER A 49 8.902 5.600 16.926 1.00 54.13 C ATOM 749 OG SER A 49 9.675 5.554 15.736 1.00 73.25 O ATOM 0 H SER A 49 8.612 2.732 15.864 1.00 33.35 H new ATOM 0 HA SER A 49 7.567 4.325 18.048 1.00 51.23 H new ATOM 0 HB2 SER A 49 8.299 6.508 16.937 1.00 54.13 H new ATOM 0 HB3 SER A 49 9.563 5.647 17.791 1.00 54.13 H new ATOM 0 HG SER A 49 10.546 5.147 15.927 1.00 73.25 H new ATOM 755 N ASP A 50 5.948 5.486 16.221 1.00 35.21 N ATOM 756 CA ASP A 50 4.769 5.706 15.355 1.00 45.51 C ATOM 757 C ASP A 50 5.216 6.227 13.961 1.00 54.13 C ATOM 758 O ASP A 50 5.227 7.426 13.683 1.00 62.14 O ATOM 759 CB ASP A 50 3.729 6.655 16.042 1.00 13.41 C ATOM 760 CG ASP A 50 4.252 8.082 16.333 1.00 11.20 C ATOM 761 OD1 ASP A 50 5.182 8.227 17.151 1.00 33.40 O ATOM 762 OD2 ASP A 50 3.742 9.059 15.739 1.00 41.30 O ATOM 0 H ASP A 50 6.059 6.191 16.949 1.00 35.21 H new ATOM 0 HA ASP A 50 4.263 4.753 15.202 1.00 45.51 H new ATOM 0 HB2 ASP A 50 2.848 6.728 15.405 1.00 13.41 H new ATOM 0 HB3 ASP A 50 3.408 6.202 16.980 1.00 13.41 H new ATOM 767 N LYS A 51 5.669 5.289 13.124 1.00 44.43 N ATOM 768 CA LYS A 51 6.054 5.532 11.725 1.00 41.34 C ATOM 769 C LYS A 51 5.782 4.264 10.913 1.00 72.52 C ATOM 770 O LYS A 51 5.486 3.199 11.469 1.00 61.01 O ATOM 771 CB LYS A 51 7.560 5.956 11.588 1.00 72.04 C ATOM 772 CG LYS A 51 7.843 7.463 11.823 1.00 10.03 C ATOM 773 CD LYS A 51 9.326 7.846 11.616 1.00 41.21 C ATOM 774 CE LYS A 51 10.273 7.191 12.643 1.00 54.30 C ATOM 775 NZ LYS A 51 9.984 7.621 14.038 1.00 23.13 N ATOM 0 H LYS A 51 5.782 4.315 13.405 1.00 44.43 H new ATOM 0 HA LYS A 51 5.459 6.362 11.343 1.00 41.34 H new ATOM 0 HB2 LYS A 51 8.151 5.376 12.297 1.00 72.04 H new ATOM 0 HB3 LYS A 51 7.907 5.688 10.590 1.00 72.04 H new ATOM 0 HG2 LYS A 51 7.225 8.052 11.145 1.00 10.03 H new ATOM 0 HG3 LYS A 51 7.545 7.728 12.837 1.00 10.03 H new ATOM 0 HD2 LYS A 51 9.633 7.555 10.611 1.00 41.21 H new ATOM 0 HD3 LYS A 51 9.427 8.930 11.678 1.00 41.21 H new ATOM 0 HE2 LYS A 51 10.184 6.107 12.574 1.00 54.30 H new ATOM 0 HE3 LYS A 51 11.304 7.443 12.394 1.00 54.30 H new ATOM 0 HZ1 LYS A 51 10.868 7.913 14.501 1.00 23.13 H new ATOM 0 HZ2 LYS A 51 9.320 8.421 14.024 1.00 23.13 H new ATOM 0 HZ3 LYS A 51 9.562 6.830 14.565 1.00 23.13 H new ATOM 789 N SER A 52 5.895 4.413 9.599 1.00 61.11 N ATOM 790 CA SER A 52 5.758 3.338 8.628 1.00 22.22 C ATOM 791 C SER A 52 6.457 3.775 7.339 1.00 14.31 C ATOM 792 O SER A 52 6.365 4.943 6.949 1.00 50.24 O ATOM 793 CB SER A 52 4.271 3.037 8.359 1.00 15.54 C ATOM 794 OG SER A 52 4.126 1.914 7.511 1.00 21.20 O ATOM 0 H SER A 52 6.091 5.316 9.167 1.00 61.11 H new ATOM 0 HA SER A 52 6.214 2.426 9.013 1.00 22.22 H new ATOM 0 HB2 SER A 52 3.757 2.853 9.303 1.00 15.54 H new ATOM 0 HB3 SER A 52 3.797 3.906 7.902 1.00 15.54 H new ATOM 0 HG SER A 52 3.279 1.981 7.022 1.00 21.20 H new ATOM 800 N HIS A 53 7.171 2.855 6.692 1.00 64.31 N ATOM 801 CA HIS A 53 7.850 3.125 5.412 1.00 31.15 C ATOM 802 C HIS A 53 7.064 2.429 4.304 1.00 14.01 C ATOM 803 O HIS A 53 6.888 1.212 4.341 1.00 11.14 O ATOM 804 CB HIS A 53 9.320 2.639 5.446 1.00 62.12 C ATOM 805 CG HIS A 53 10.231 3.402 6.375 1.00 70.20 C ATOM 806 ND1 HIS A 53 11.563 3.607 6.119 1.00 2.10 N ATOM 807 CD2 HIS A 53 10.002 3.981 7.578 1.00 42.13 C ATOM 808 CE1 HIS A 53 12.110 4.266 7.113 1.00 52.22 C ATOM 809 NE2 HIS A 53 11.183 4.507 8.013 1.00 72.30 N ATOM 0 H HIS A 53 7.299 1.902 7.034 1.00 64.31 H new ATOM 0 HA HIS A 53 7.880 4.199 5.227 1.00 31.15 H new ATOM 0 HB2 HIS A 53 9.331 1.588 5.735 1.00 62.12 H new ATOM 0 HB3 HIS A 53 9.727 2.696 4.437 1.00 62.12 H new ATOM 0 HD1 HIS A 53 12.054 3.294 5.282 1.00 2.10 H new ATOM 0 HD2 HIS A 53 9.056 4.019 8.098 1.00 42.13 H new ATOM 0 HE1 HIS A 53 13.147 4.561 7.180 1.00 52.22 H new ATOM 818 N ILE A 54 6.531 3.226 3.372 1.00 31.31 N ATOM 819 CA ILE A 54 5.749 2.748 2.236 1.00 53.33 C ATOM 820 C ILE A 54 6.653 2.813 0.998 1.00 62.53 C ATOM 821 O ILE A 54 6.985 3.905 0.543 1.00 34.54 O ATOM 822 CB ILE A 54 4.429 3.596 1.989 1.00 34.24 C ATOM 823 CG1 ILE A 54 3.443 3.573 3.212 1.00 32.13 C ATOM 824 CG2 ILE A 54 3.688 3.080 0.736 1.00 1.13 C ATOM 825 CD1 ILE A 54 3.905 4.297 4.454 1.00 60.13 C ATOM 0 H ILE A 54 6.635 4.240 3.390 1.00 31.31 H new ATOM 0 HA ILE A 54 5.418 1.730 2.443 1.00 53.33 H new ATOM 0 HB ILE A 54 4.752 4.627 1.846 1.00 34.24 H new ATOM 0 HG12 ILE A 54 2.494 4.007 2.896 1.00 32.13 H new ATOM 0 HG13 ILE A 54 3.247 2.533 3.474 1.00 32.13 H new ATOM 0 HG21 ILE A 54 2.785 3.670 0.578 1.00 1.13 H new ATOM 0 HG22 ILE A 54 4.338 3.171 -0.134 1.00 1.13 H new ATOM 0 HG23 ILE A 54 3.417 2.034 0.878 1.00 1.13 H new ATOM 0 HD11 ILE A 54 3.143 4.212 5.229 1.00 60.13 H new ATOM 0 HD12 ILE A 54 4.835 3.853 4.809 1.00 60.13 H new ATOM 0 HD13 ILE A 54 4.071 5.349 4.221 1.00 60.13 H new ATOM 837 N TRP A 55 7.083 1.647 0.497 1.00 60.53 N ATOM 838 CA TRP A 55 7.902 1.548 -0.721 1.00 21.22 C ATOM 839 C TRP A 55 6.967 1.450 -1.948 1.00 42.24 C ATOM 840 O TRP A 55 6.287 0.431 -2.132 1.00 63.34 O ATOM 841 CB TRP A 55 8.854 0.320 -0.626 1.00 54.11 C ATOM 842 CG TRP A 55 9.938 0.453 0.438 1.00 61.12 C ATOM 843 CD1 TRP A 55 11.169 1.020 0.299 1.00 54.45 C ATOM 844 CD2 TRP A 55 9.875 0.019 1.800 1.00 22.03 C ATOM 845 NE1 TRP A 55 11.869 0.941 1.468 1.00 13.14 N ATOM 846 CE2 TRP A 55 11.093 0.350 2.414 1.00 43.22 C ATOM 847 CE3 TRP A 55 8.912 -0.610 2.545 1.00 11.41 C ATOM 848 CZ2 TRP A 55 11.356 0.064 3.753 1.00 14.04 C ATOM 849 CZ3 TRP A 55 9.159 -0.888 3.860 1.00 34.45 C ATOM 850 CH2 TRP A 55 10.375 -0.552 4.461 1.00 13.53 C ATOM 0 H TRP A 55 6.873 0.745 0.924 1.00 60.53 H new ATOM 0 HA TRP A 55 8.524 2.436 -0.829 1.00 21.22 H new ATOM 0 HB2 TRP A 55 8.261 -0.570 -0.416 1.00 54.11 H new ATOM 0 HB3 TRP A 55 9.328 0.166 -1.595 1.00 54.11 H new ATOM 0 HD1 TRP A 55 11.540 1.470 -0.610 1.00 54.45 H new ATOM 0 HE1 TRP A 55 12.823 1.273 1.609 1.00 13.14 H new ATOM 0 HE3 TRP A 55 7.968 -0.883 2.098 1.00 11.41 H new ATOM 0 HZ2 TRP A 55 12.301 0.322 4.208 1.00 14.04 H new ATOM 0 HZ3 TRP A 55 8.397 -1.378 4.448 1.00 34.45 H new ATOM 0 HH2 TRP A 55 10.537 -0.786 5.503 1.00 13.53 H new ATOM 861 N LEU A 56 6.890 2.552 -2.734 1.00 24.40 N ATOM 862 CA LEU A 56 6.069 2.631 -3.958 1.00 64.11 C ATOM 863 C LEU A 56 6.895 2.196 -5.173 1.00 51.32 C ATOM 864 O LEU A 56 7.846 2.870 -5.552 1.00 63.22 O ATOM 865 CB LEU A 56 5.529 4.074 -4.216 1.00 21.24 C ATOM 866 CG LEU A 56 4.510 4.658 -3.187 1.00 42.25 C ATOM 867 CD1 LEU A 56 3.320 3.711 -2.959 1.00 24.14 C ATOM 868 CD2 LEU A 56 5.197 5.069 -1.871 1.00 44.41 C ATOM 0 H LEU A 56 7.399 3.412 -2.532 1.00 24.40 H new ATOM 0 HA LEU A 56 5.218 1.966 -3.812 1.00 64.11 H new ATOM 0 HB2 LEU A 56 6.383 4.749 -4.263 1.00 21.24 H new ATOM 0 HB3 LEU A 56 5.058 4.086 -5.199 1.00 21.24 H new ATOM 0 HG LEU A 56 4.100 5.570 -3.621 1.00 42.25 H new ATOM 0 HD11 LEU A 56 2.635 4.155 -2.237 1.00 24.14 H new ATOM 0 HD12 LEU A 56 2.798 3.549 -3.902 1.00 24.14 H new ATOM 0 HD13 LEU A 56 3.682 2.757 -2.576 1.00 24.14 H new ATOM 0 HD21 LEU A 56 4.454 5.470 -1.182 1.00 44.41 H new ATOM 0 HD22 LEU A 56 5.674 4.198 -1.422 1.00 44.41 H new ATOM 0 HD23 LEU A 56 5.950 5.830 -2.076 1.00 44.41 H new ATOM 880 N LEU A 57 6.495 1.088 -5.775 1.00 54.11 N ATOM 881 CA LEU A 57 7.076 0.566 -7.010 1.00 45.15 C ATOM 882 C LEU A 57 6.333 1.203 -8.190 1.00 65.01 C ATOM 883 O LEU A 57 5.154 0.912 -8.412 1.00 43.31 O ATOM 884 CB LEU A 57 6.969 -0.987 -7.067 1.00 34.02 C ATOM 885 CG LEU A 57 7.954 -1.807 -6.166 1.00 43.43 C ATOM 886 CD1 LEU A 57 7.844 -1.449 -4.669 1.00 44.30 C ATOM 887 CD2 LEU A 57 7.762 -3.321 -6.391 1.00 25.13 C ATOM 0 H LEU A 57 5.738 0.509 -5.412 1.00 54.11 H new ATOM 0 HA LEU A 57 8.136 0.816 -7.053 1.00 45.15 H new ATOM 0 HB2 LEU A 57 5.951 -1.266 -6.795 1.00 34.02 H new ATOM 0 HB3 LEU A 57 7.119 -1.298 -8.101 1.00 34.02 H new ATOM 0 HG LEU A 57 8.963 -1.530 -6.471 1.00 43.43 H new ATOM 0 HD11 LEU A 57 8.551 -2.051 -4.098 1.00 44.30 H new ATOM 0 HD12 LEU A 57 8.071 -0.392 -4.530 1.00 44.30 H new ATOM 0 HD13 LEU A 57 6.831 -1.651 -4.320 1.00 44.30 H new ATOM 0 HD21 LEU A 57 8.455 -3.874 -5.757 1.00 25.13 H new ATOM 0 HD22 LEU A 57 6.739 -3.599 -6.139 1.00 25.13 H new ATOM 0 HD23 LEU A 57 7.957 -3.561 -7.436 1.00 25.13 H new ATOM 899 N VAL A 58 7.026 2.121 -8.877 1.00 10.24 N ATOM 900 CA VAL A 58 6.517 2.824 -10.082 1.00 64.41 C ATOM 901 C VAL A 58 7.714 3.144 -10.985 1.00 41.13 C ATOM 902 O VAL A 58 8.804 3.312 -10.479 1.00 35.34 O ATOM 903 CB VAL A 58 5.758 4.159 -9.698 1.00 34.14 C ATOM 904 CG1 VAL A 58 6.704 5.213 -9.059 1.00 70.14 C ATOM 905 CG2 VAL A 58 4.977 4.756 -10.903 1.00 62.54 C ATOM 0 H VAL A 58 7.970 2.406 -8.615 1.00 10.24 H new ATOM 0 HA VAL A 58 5.803 2.182 -10.598 1.00 64.41 H new ATOM 0 HB VAL A 58 5.025 3.885 -8.940 1.00 34.14 H new ATOM 0 HG11 VAL A 58 6.136 6.110 -8.813 1.00 70.14 H new ATOM 0 HG12 VAL A 58 7.145 4.803 -8.151 1.00 70.14 H new ATOM 0 HG13 VAL A 58 7.496 5.466 -9.764 1.00 70.14 H new ATOM 0 HG21 VAL A 58 4.472 5.671 -10.592 1.00 62.54 H new ATOM 0 HG22 VAL A 58 5.672 4.982 -11.711 1.00 62.54 H new ATOM 0 HG23 VAL A 58 4.238 4.034 -11.251 1.00 62.54 H new ATOM 915 N ASN A 59 7.535 3.220 -12.308 1.00 11.33 N ATOM 916 CA ASN A 59 8.650 3.562 -13.224 1.00 0.33 C ATOM 917 C ASN A 59 9.101 5.025 -13.016 1.00 5.34 C ATOM 918 O ASN A 59 8.270 5.914 -12.779 1.00 71.25 O ATOM 919 CB ASN A 59 8.269 3.294 -14.696 1.00 50.24 C ATOM 920 CG ASN A 59 7.128 4.174 -15.211 1.00 31.51 C ATOM 921 OD1 ASN A 59 6.277 4.633 -14.452 1.00 41.23 O ATOM 922 ND2 ASN A 59 7.088 4.400 -16.500 1.00 62.11 N ATOM 0 H ASN A 59 6.643 3.053 -12.773 1.00 11.33 H new ATOM 0 HA ASN A 59 9.493 2.914 -12.984 1.00 0.33 H new ATOM 0 HB2 ASN A 59 9.147 3.451 -15.323 1.00 50.24 H new ATOM 0 HB3 ASN A 59 7.984 2.247 -14.803 1.00 50.24 H new ATOM 0 HD21 ASN A 59 6.339 4.968 -16.895 1.00 62.11 H new ATOM 0 HD22 ASN A 59 7.806 4.008 -17.109 1.00 62.11 H new ATOM 929 N ASP A 60 10.420 5.247 -13.052 1.00 10.44 N ATOM 930 CA ASP A 60 11.021 6.570 -12.844 1.00 53.24 C ATOM 931 C ASP A 60 10.822 7.456 -14.076 1.00 44.12 C ATOM 932 O ASP A 60 10.966 6.996 -15.215 1.00 21.11 O ATOM 933 CB ASP A 60 12.522 6.452 -12.498 1.00 55.20 C ATOM 934 CG ASP A 60 13.194 7.804 -12.177 1.00 72.05 C ATOM 935 OD1 ASP A 60 12.615 8.593 -11.394 1.00 2.22 O ATOM 936 OD2 ASP A 60 14.300 8.082 -12.698 1.00 45.33 O ATOM 0 H ASP A 60 11.104 4.511 -13.227 1.00 10.44 H new ATOM 0 HA ASP A 60 10.515 7.037 -11.999 1.00 53.24 H new ATOM 0 HB2 ASP A 60 12.637 5.787 -11.642 1.00 55.20 H new ATOM 0 HB3 ASP A 60 13.043 5.987 -13.335 1.00 55.20 H new ATOM 941 N ASP A 61 10.494 8.729 -13.828 1.00 14.05 N ATOM 942 CA ASP A 61 10.209 9.717 -14.871 1.00 4.44 C ATOM 943 C ASP A 61 10.752 11.092 -14.446 1.00 72.42 C ATOM 944 O ASP A 61 10.999 11.333 -13.257 1.00 10.53 O ATOM 945 CB ASP A 61 8.679 9.759 -15.136 1.00 53.25 C ATOM 946 CG ASP A 61 8.269 10.748 -16.238 1.00 13.23 C ATOM 947 OD1 ASP A 61 8.728 10.593 -17.376 1.00 51.22 O ATOM 948 OD2 ASP A 61 7.534 11.706 -15.959 1.00 43.32 O ATOM 0 H ASP A 61 10.418 9.106 -12.883 1.00 14.05 H new ATOM 0 HA ASP A 61 10.706 9.437 -15.800 1.00 4.44 H new ATOM 0 HB2 ASP A 61 8.340 8.761 -15.412 1.00 53.25 H new ATOM 0 HB3 ASP A 61 8.166 10.026 -14.212 1.00 53.25 H new ATOM 953 N GLN A 62 10.912 11.990 -15.430 1.00 22.41 N ATOM 954 CA GLN A 62 11.415 13.361 -15.219 1.00 64.21 C ATOM 955 C GLN A 62 10.414 14.198 -14.387 1.00 60.53 C ATOM 956 O GLN A 62 10.812 15.046 -13.584 1.00 53.43 O ATOM 957 CB GLN A 62 11.688 14.030 -16.596 1.00 22.45 C ATOM 958 CG GLN A 62 12.650 13.228 -17.497 1.00 73.34 C ATOM 959 CD GLN A 62 12.924 13.894 -18.848 1.00 54.41 C ATOM 960 OE1 GLN A 62 13.879 14.656 -19.001 1.00 70.14 O ATOM 961 NE2 GLN A 62 12.076 13.624 -19.833 1.00 14.34 N ATOM 0 H GLN A 62 10.694 11.785 -16.405 1.00 22.41 H new ATOM 0 HA GLN A 62 12.347 13.313 -14.656 1.00 64.21 H new ATOM 0 HB2 GLN A 62 10.741 14.163 -17.119 1.00 22.45 H new ATOM 0 HB3 GLN A 62 12.103 15.024 -16.431 1.00 22.45 H new ATOM 0 HG2 GLN A 62 13.595 13.089 -16.972 1.00 73.34 H new ATOM 0 HG3 GLN A 62 12.232 12.236 -17.669 1.00 73.34 H new ATOM 0 HE21 GLN A 62 11.295 12.988 -19.673 1.00 14.34 H new ATOM 0 HE22 GLN A 62 12.206 14.052 -20.749 1.00 14.34 H new ATOM 970 N ARG A 63 9.111 13.922 -14.583 1.00 12.23 N ATOM 971 CA ARG A 63 8.020 14.581 -13.839 1.00 34.34 C ATOM 972 C ARG A 63 7.841 13.926 -12.456 1.00 12.14 C ATOM 973 O ARG A 63 7.442 14.597 -11.502 1.00 74.22 O ATOM 974 CB ARG A 63 6.696 14.515 -14.649 1.00 43.31 C ATOM 975 CG ARG A 63 5.457 15.125 -13.955 1.00 34.43 C ATOM 976 CD ARG A 63 4.162 14.951 -14.760 1.00 64.50 C ATOM 977 NE ARG A 63 2.971 15.301 -13.961 1.00 42.15 N ATOM 978 CZ ARG A 63 1.696 15.097 -14.334 1.00 54.02 C ATOM 979 NH1 ARG A 63 1.408 14.550 -15.505 1.00 61.14 N ATOM 980 NH2 ARG A 63 0.710 15.428 -13.519 1.00 32.33 N ATOM 0 H ARG A 63 8.784 13.235 -15.262 1.00 12.23 H new ATOM 0 HA ARG A 63 8.283 15.629 -13.692 1.00 34.34 H new ATOM 0 HB2 ARG A 63 6.847 15.027 -15.599 1.00 43.31 H new ATOM 0 HB3 ARG A 63 6.484 13.471 -14.880 1.00 43.31 H new ATOM 0 HG2 ARG A 63 5.333 14.662 -12.976 1.00 34.43 H new ATOM 0 HG3 ARG A 63 5.631 16.188 -13.785 1.00 34.43 H new ATOM 0 HD2 ARG A 63 4.200 15.578 -15.650 1.00 64.50 H new ATOM 0 HD3 ARG A 63 4.081 13.919 -15.101 1.00 64.50 H new ATOM 0 HE ARG A 63 3.129 15.733 -13.051 1.00 42.15 H new ATOM 0 HH11 ARG A 63 2.159 14.277 -16.139 1.00 61.14 H new ATOM 0 HH12 ARG A 63 0.435 14.402 -15.773 1.00 61.14 H new ATOM 0 HH21 ARG A 63 0.917 15.838 -12.608 1.00 32.33 H new ATOM 0 HH22 ARG A 63 -0.258 15.274 -13.801 1.00 32.33 H new ATOM 994 N LEU A 64 8.162 12.607 -12.362 1.00 53.40 N ATOM 995 CA LEU A 64 8.035 11.828 -11.102 1.00 65.31 C ATOM 996 C LEU A 64 8.798 12.511 -9.958 1.00 53.03 C ATOM 997 O LEU A 64 8.316 12.559 -8.837 1.00 41.15 O ATOM 998 CB LEU A 64 8.570 10.380 -11.276 1.00 15.10 C ATOM 999 CG LEU A 64 8.297 9.399 -10.077 1.00 0.13 C ATOM 1000 CD1 LEU A 64 6.816 8.992 -9.995 1.00 61.41 C ATOM 1001 CD2 LEU A 64 9.191 8.155 -10.151 1.00 65.42 C ATOM 0 H LEU A 64 8.512 12.060 -13.149 1.00 53.40 H new ATOM 0 HA LEU A 64 6.974 11.786 -10.857 1.00 65.31 H new ATOM 0 HB2 LEU A 64 8.126 9.955 -12.176 1.00 15.10 H new ATOM 0 HB3 LEU A 64 9.646 10.428 -11.443 1.00 15.10 H new ATOM 0 HG LEU A 64 8.545 9.943 -9.166 1.00 0.13 H new ATOM 0 HD11 LEU A 64 6.671 8.314 -9.154 1.00 61.41 H new ATOM 0 HD12 LEU A 64 6.201 9.881 -9.855 1.00 61.41 H new ATOM 0 HD13 LEU A 64 6.525 8.491 -10.918 1.00 61.41 H new ATOM 0 HD21 LEU A 64 8.974 7.501 -9.307 1.00 65.42 H new ATOM 0 HD22 LEU A 64 8.997 7.622 -11.082 1.00 65.42 H new ATOM 0 HD23 LEU A 64 10.238 8.457 -10.117 1.00 65.42 H new ATOM 1013 N GLU A 65 9.970 13.077 -10.302 1.00 31.24 N ATOM 1014 CA GLU A 65 10.853 13.792 -9.364 1.00 54.33 C ATOM 1015 C GLU A 65 10.135 15.000 -8.722 1.00 30.42 C ATOM 1016 O GLU A 65 10.297 15.264 -7.528 1.00 50.43 O ATOM 1017 CB GLU A 65 12.120 14.274 -10.108 1.00 72.45 C ATOM 1018 CG GLU A 65 12.827 13.184 -10.925 1.00 32.23 C ATOM 1019 CD GLU A 65 14.116 13.686 -11.582 1.00 21.33 C ATOM 1020 OE1 GLU A 65 14.036 14.326 -12.650 1.00 40.54 O ATOM 1021 OE2 GLU A 65 15.215 13.454 -11.032 1.00 61.31 O ATOM 0 H GLU A 65 10.335 13.049 -11.254 1.00 31.24 H new ATOM 0 HA GLU A 65 11.131 13.102 -8.567 1.00 54.33 H new ATOM 0 HB2 GLU A 65 11.846 15.091 -10.775 1.00 72.45 H new ATOM 0 HB3 GLU A 65 12.823 14.679 -9.380 1.00 72.45 H new ATOM 0 HG2 GLU A 65 13.059 12.340 -10.275 1.00 32.23 H new ATOM 0 HG3 GLU A 65 12.150 12.816 -11.696 1.00 32.23 H new ATOM 1028 N GLN A 66 9.337 15.713 -9.539 1.00 44.51 N ATOM 1029 CA GLN A 66 8.541 16.870 -9.091 1.00 3.31 C ATOM 1030 C GLN A 66 7.436 16.423 -8.107 1.00 30.23 C ATOM 1031 O GLN A 66 7.176 17.108 -7.114 1.00 35.34 O ATOM 1032 CB GLN A 66 7.930 17.608 -10.315 1.00 75.11 C ATOM 1033 CG GLN A 66 8.973 18.111 -11.346 1.00 44.13 C ATOM 1034 CD GLN A 66 9.921 19.194 -10.803 1.00 64.52 C ATOM 1035 OE1 GLN A 66 9.551 19.984 -9.939 1.00 12.31 O ATOM 1036 NE2 GLN A 66 11.138 19.262 -11.325 1.00 44.42 N ATOM 0 H GLN A 66 9.226 15.502 -10.531 1.00 44.51 H new ATOM 0 HA GLN A 66 9.198 17.563 -8.565 1.00 3.31 H new ATOM 0 HB2 GLN A 66 7.234 16.937 -10.818 1.00 75.11 H new ATOM 0 HB3 GLN A 66 7.350 18.459 -9.958 1.00 75.11 H new ATOM 0 HG2 GLN A 66 9.566 17.264 -11.690 1.00 44.13 H new ATOM 0 HG3 GLN A 66 8.447 18.506 -12.215 1.00 44.13 H new ATOM 0 HE21 GLN A 66 11.423 18.595 -12.042 1.00 44.42 H new ATOM 0 HE22 GLN A 66 11.789 19.981 -11.010 1.00 44.42 H new ATOM 1045 N MET A 67 6.809 15.256 -8.399 1.00 24.44 N ATOM 1046 CA MET A 67 5.805 14.621 -7.512 1.00 24.52 C ATOM 1047 C MET A 67 6.435 14.222 -6.158 1.00 42.02 C ATOM 1048 O MET A 67 5.822 14.398 -5.106 1.00 22.32 O ATOM 1049 CB MET A 67 5.154 13.371 -8.194 1.00 31.42 C ATOM 1050 CG MET A 67 4.040 13.655 -9.230 1.00 34.10 C ATOM 1051 SD MET A 67 4.593 14.475 -10.749 1.00 31.11 S ATOM 1052 CE MET A 67 4.383 16.219 -10.374 1.00 25.41 C ATOM 0 H MET A 67 6.986 14.730 -9.255 1.00 24.44 H new ATOM 0 HA MET A 67 5.022 15.356 -7.327 1.00 24.52 H new ATOM 0 HB2 MET A 67 5.942 12.802 -8.687 1.00 31.42 H new ATOM 0 HB3 MET A 67 4.740 12.733 -7.413 1.00 31.42 H new ATOM 0 HG2 MET A 67 3.565 12.711 -9.497 1.00 34.10 H new ATOM 0 HG3 MET A 67 3.276 14.274 -8.759 1.00 34.10 H new ATOM 0 HE1 MET A 67 5.024 16.811 -11.027 1.00 25.41 H new ATOM 0 HE2 MET A 67 3.343 16.503 -10.533 1.00 25.41 H new ATOM 0 HE3 MET A 67 4.655 16.403 -9.335 1.00 25.41 H new ATOM 1062 N ILE A 68 7.670 13.695 -6.228 1.00 54.31 N ATOM 1063 CA ILE A 68 8.473 13.280 -5.057 1.00 60.44 C ATOM 1064 C ILE A 68 8.816 14.504 -4.169 1.00 45.23 C ATOM 1065 O ILE A 68 8.734 14.438 -2.931 1.00 70.53 O ATOM 1066 CB ILE A 68 9.780 12.533 -5.558 1.00 24.50 C ATOM 1067 CG1 ILE A 68 9.401 11.176 -6.242 1.00 52.34 C ATOM 1068 CG2 ILE A 68 10.818 12.317 -4.431 1.00 1.53 C ATOM 1069 CD1 ILE A 68 10.525 10.507 -7.014 1.00 64.15 C ATOM 0 H ILE A 68 8.150 13.541 -7.115 1.00 54.31 H new ATOM 0 HA ILE A 68 7.895 12.591 -4.442 1.00 60.44 H new ATOM 0 HB ILE A 68 10.258 13.181 -6.293 1.00 24.50 H new ATOM 0 HG12 ILE A 68 9.048 10.487 -5.475 1.00 52.34 H new ATOM 0 HG13 ILE A 68 8.567 11.350 -6.922 1.00 52.34 H new ATOM 0 HG21 ILE A 68 11.690 11.802 -4.833 1.00 1.53 H new ATOM 0 HG22 ILE A 68 11.122 13.282 -4.026 1.00 1.53 H new ATOM 0 HG23 ILE A 68 10.374 11.715 -3.638 1.00 1.53 H new ATOM 0 HD11 ILE A 68 10.163 9.576 -7.450 1.00 64.15 H new ATOM 0 HD12 ILE A 68 10.866 11.171 -7.808 1.00 64.15 H new ATOM 0 HD13 ILE A 68 11.354 10.294 -6.339 1.00 64.15 H new ATOM 1081 N SER A 69 9.144 15.624 -4.835 1.00 55.44 N ATOM 1082 CA SER A 69 9.498 16.892 -4.177 1.00 61.13 C ATOM 1083 C SER A 69 8.253 17.568 -3.561 1.00 53.52 C ATOM 1084 O SER A 69 8.368 18.285 -2.564 1.00 24.20 O ATOM 1085 CB SER A 69 10.182 17.839 -5.196 1.00 12.42 C ATOM 1086 OG SER A 69 10.649 19.035 -4.586 1.00 23.35 O ATOM 0 H SER A 69 9.171 15.675 -5.853 1.00 55.44 H new ATOM 0 HA SER A 69 10.194 16.677 -3.366 1.00 61.13 H new ATOM 0 HB2 SER A 69 11.019 17.322 -5.666 1.00 12.42 H new ATOM 0 HB3 SER A 69 9.476 18.089 -5.988 1.00 12.42 H new ATOM 0 HG SER A 69 11.074 19.603 -5.262 1.00 23.35 H new ATOM 1092 N GLN A 70 7.071 17.330 -4.167 1.00 0.35 N ATOM 1093 CA GLN A 70 5.805 17.934 -3.726 1.00 41.44 C ATOM 1094 C GLN A 70 5.279 17.192 -2.487 1.00 22.00 C ATOM 1095 O GLN A 70 4.893 17.820 -1.490 1.00 51.42 O ATOM 1096 CB GLN A 70 4.768 17.904 -4.893 1.00 4.34 C ATOM 1097 CG GLN A 70 3.471 18.740 -4.672 1.00 32.35 C ATOM 1098 CD GLN A 70 2.413 18.103 -3.751 1.00 31.00 C ATOM 1099 OE1 GLN A 70 1.695 18.803 -3.033 1.00 23.53 O ATOM 1100 NE2 GLN A 70 2.273 16.781 -3.792 1.00 41.44 N ATOM 0 H GLN A 70 6.972 16.714 -4.974 1.00 0.35 H new ATOM 0 HA GLN A 70 5.971 18.976 -3.451 1.00 41.44 H new ATOM 0 HB2 GLN A 70 5.258 18.262 -5.798 1.00 4.34 H new ATOM 0 HB3 GLN A 70 4.483 16.868 -5.074 1.00 4.34 H new ATOM 0 HG2 GLN A 70 3.751 19.708 -4.257 1.00 32.35 H new ATOM 0 HG3 GLN A 70 3.014 18.930 -5.643 1.00 32.35 H new ATOM 0 HE21 GLN A 70 2.878 16.222 -4.394 1.00 41.44 H new ATOM 0 HE22 GLN A 70 1.560 16.326 -3.222 1.00 41.44 H new ATOM 1109 N ILE A 71 5.265 15.842 -2.569 1.00 62.55 N ATOM 1110 CA ILE A 71 4.745 14.980 -1.494 1.00 43.43 C ATOM 1111 C ILE A 71 5.631 15.085 -0.232 1.00 41.54 C ATOM 1112 O ILE A 71 5.148 14.913 0.888 1.00 71.22 O ATOM 1113 CB ILE A 71 4.603 13.472 -1.932 1.00 62.52 C ATOM 1114 CG1 ILE A 71 3.751 12.686 -0.882 1.00 2.44 C ATOM 1115 CG2 ILE A 71 5.980 12.802 -2.171 1.00 24.32 C ATOM 1116 CD1 ILE A 71 3.675 11.199 -1.092 1.00 11.11 C ATOM 0 H ILE A 71 5.612 15.327 -3.378 1.00 62.55 H new ATOM 0 HA ILE A 71 3.743 15.343 -1.265 1.00 43.43 H new ATOM 0 HB ILE A 71 4.081 13.446 -2.889 1.00 62.52 H new ATOM 0 HG12 ILE A 71 4.163 12.875 0.109 1.00 2.44 H new ATOM 0 HG13 ILE A 71 2.738 13.088 -0.888 1.00 2.44 H new ATOM 0 HG21 ILE A 71 5.833 11.764 -2.471 1.00 24.32 H new ATOM 0 HG22 ILE A 71 6.512 13.335 -2.959 1.00 24.32 H new ATOM 0 HG23 ILE A 71 6.565 12.834 -1.252 1.00 24.32 H new ATOM 0 HD11 ILE A 71 3.061 10.752 -0.310 1.00 11.11 H new ATOM 0 HD12 ILE A 71 3.231 10.991 -2.065 1.00 11.11 H new ATOM 0 HD13 ILE A 71 4.678 10.774 -1.053 1.00 11.11 H new ATOM 1128 N ASP A 72 6.930 15.382 -0.451 1.00 44.43 N ATOM 1129 CA ASP A 72 7.916 15.633 0.616 1.00 51.52 C ATOM 1130 C ASP A 72 7.413 16.678 1.642 1.00 62.02 C ATOM 1131 O ASP A 72 7.705 16.575 2.836 1.00 11.24 O ATOM 1132 CB ASP A 72 9.241 16.119 -0.040 1.00 14.31 C ATOM 1133 CG ASP A 72 10.338 16.530 0.968 1.00 72.01 C ATOM 1134 OD1 ASP A 72 10.903 15.641 1.638 1.00 11.32 O ATOM 1135 OD2 ASP A 72 10.642 17.739 1.090 1.00 41.33 O ATOM 0 H ASP A 72 7.326 15.455 -1.388 1.00 44.43 H new ATOM 0 HA ASP A 72 8.078 14.705 1.164 1.00 51.52 H new ATOM 0 HB2 ASP A 72 9.629 15.325 -0.678 1.00 14.31 H new ATOM 0 HB3 ASP A 72 9.022 16.969 -0.687 1.00 14.31 H new ATOM 1140 N LYS A 73 6.622 17.650 1.151 1.00 61.32 N ATOM 1141 CA LYS A 73 6.169 18.811 1.946 1.00 40.10 C ATOM 1142 C LYS A 73 4.940 18.486 2.825 1.00 24.31 C ATOM 1143 O LYS A 73 4.487 19.342 3.599 1.00 33.25 O ATOM 1144 CB LYS A 73 5.877 20.005 0.996 1.00 62.24 C ATOM 1145 CG LYS A 73 7.003 20.297 -0.025 1.00 73.43 C ATOM 1146 CD LYS A 73 8.389 20.490 0.638 1.00 30.21 C ATOM 1147 CE LYS A 73 9.517 20.669 -0.389 1.00 1.33 C ATOM 1148 NZ LYS A 73 10.856 20.658 0.257 1.00 44.03 N ATOM 0 H LYS A 73 6.278 17.654 0.191 1.00 61.32 H new ATOM 0 HA LYS A 73 6.971 19.080 2.634 1.00 40.10 H new ATOM 0 HB2 LYS A 73 4.953 19.805 0.453 1.00 62.24 H new ATOM 0 HB3 LYS A 73 5.706 20.899 1.596 1.00 62.24 H new ATOM 0 HG2 LYS A 73 7.060 19.475 -0.739 1.00 73.43 H new ATOM 0 HG3 LYS A 73 6.749 21.194 -0.590 1.00 73.43 H new ATOM 0 HD2 LYS A 73 8.356 21.362 1.292 1.00 30.21 H new ATOM 0 HD3 LYS A 73 8.609 19.628 1.267 1.00 30.21 H new ATOM 0 HE2 LYS A 73 9.464 19.872 -1.130 1.00 1.33 H new ATOM 0 HE3 LYS A 73 9.378 21.610 -0.922 1.00 1.33 H new ATOM 0 HZ1 LYS A 73 11.583 20.899 -0.447 1.00 44.03 H new ATOM 0 HZ2 LYS A 73 10.875 21.356 1.028 1.00 44.03 H new ATOM 0 HZ3 LYS A 73 11.048 19.711 0.642 1.00 44.03 H new ATOM 1162 N LEU A 74 4.406 17.257 2.698 1.00 74.32 N ATOM 1163 CA LEU A 74 3.302 16.760 3.544 1.00 40.34 C ATOM 1164 C LEU A 74 3.830 16.402 4.949 1.00 33.20 C ATOM 1165 O LEU A 74 4.927 15.857 5.084 1.00 61.05 O ATOM 1166 CB LEU A 74 2.592 15.529 2.886 1.00 4.23 C ATOM 1167 CG LEU A 74 1.481 15.838 1.825 1.00 70.24 C ATOM 1168 CD1 LEU A 74 0.308 16.609 2.466 1.00 21.23 C ATOM 1169 CD2 LEU A 74 2.044 16.585 0.598 1.00 24.12 C ATOM 0 H LEU A 74 4.727 16.580 2.006 1.00 74.32 H new ATOM 0 HA LEU A 74 2.561 17.554 3.640 1.00 40.34 H new ATOM 0 HB2 LEU A 74 3.354 14.912 2.410 1.00 4.23 H new ATOM 0 HB3 LEU A 74 2.146 14.930 3.680 1.00 4.23 H new ATOM 0 HG LEU A 74 1.100 14.883 1.464 1.00 70.24 H new ATOM 0 HD11 LEU A 74 -0.450 16.812 1.710 1.00 21.23 H new ATOM 0 HD12 LEU A 74 -0.128 16.010 3.265 1.00 21.23 H new ATOM 0 HD13 LEU A 74 0.673 17.551 2.876 1.00 21.23 H new ATOM 0 HD21 LEU A 74 1.239 16.778 -0.111 1.00 24.12 H new ATOM 0 HD22 LEU A 74 2.481 17.531 0.917 1.00 24.12 H new ATOM 0 HD23 LEU A 74 2.810 15.974 0.120 1.00 24.12 H new ATOM 1181 N GLU A 75 3.012 16.704 5.974 1.00 13.01 N ATOM 1182 CA GLU A 75 3.372 16.550 7.401 1.00 64.04 C ATOM 1183 C GLU A 75 3.536 15.076 7.798 1.00 65.23 C ATOM 1184 O GLU A 75 4.356 14.755 8.670 1.00 41.21 O ATOM 1185 CB GLU A 75 2.295 17.215 8.287 1.00 35.55 C ATOM 1186 CG GLU A 75 2.109 18.725 8.028 1.00 51.23 C ATOM 1187 CD GLU A 75 0.972 19.326 8.865 1.00 43.21 C ATOM 1188 OE1 GLU A 75 -0.201 19.218 8.457 1.00 41.44 O ATOM 1189 OE2 GLU A 75 1.238 19.878 9.949 1.00 50.23 O ATOM 0 H GLU A 75 2.069 17.067 5.835 1.00 13.01 H new ATOM 0 HA GLU A 75 4.333 17.041 7.554 1.00 64.04 H new ATOM 0 HB2 GLU A 75 1.343 16.710 8.124 1.00 35.55 H new ATOM 0 HB3 GLU A 75 2.559 17.067 9.334 1.00 35.55 H new ATOM 0 HG2 GLU A 75 3.039 19.247 8.255 1.00 51.23 H new ATOM 0 HG3 GLU A 75 1.902 18.887 6.970 1.00 51.23 H new ATOM 1196 N ASP A 76 2.729 14.193 7.176 1.00 30.43 N ATOM 1197 CA ASP A 76 2.840 12.739 7.374 1.00 33.32 C ATOM 1198 C ASP A 76 4.197 12.248 6.879 1.00 43.33 C ATOM 1199 O ASP A 76 4.888 11.535 7.608 1.00 3.40 O ATOM 1200 CB ASP A 76 1.682 11.967 6.691 1.00 34.12 C ATOM 1201 CG ASP A 76 1.490 12.282 5.191 1.00 64.33 C ATOM 1202 OD1 ASP A 76 0.999 13.387 4.879 1.00 42.10 O ATOM 1203 OD2 ASP A 76 1.781 11.425 4.331 1.00 33.33 O ATOM 0 H ASP A 76 1.990 14.467 6.529 1.00 30.43 H new ATOM 0 HA ASP A 76 2.760 12.539 8.443 1.00 33.32 H new ATOM 0 HB2 ASP A 76 1.861 10.898 6.803 1.00 34.12 H new ATOM 0 HB3 ASP A 76 0.754 12.192 7.217 1.00 34.12 H new ATOM 1208 N VAL A 77 4.583 12.693 5.665 1.00 13.11 N ATOM 1209 CA VAL A 77 5.871 12.363 5.045 1.00 40.21 C ATOM 1210 C VAL A 77 7.023 12.997 5.849 1.00 40.44 C ATOM 1211 O VAL A 77 7.416 14.144 5.614 1.00 53.00 O ATOM 1212 CB VAL A 77 5.906 12.818 3.537 1.00 61.22 C ATOM 1213 CG1 VAL A 77 7.279 12.549 2.872 1.00 75.54 C ATOM 1214 CG2 VAL A 77 4.775 12.134 2.738 1.00 33.13 C ATOM 0 H VAL A 77 3.999 13.297 5.087 1.00 13.11 H new ATOM 0 HA VAL A 77 5.998 11.280 5.060 1.00 40.21 H new ATOM 0 HB VAL A 77 5.749 13.897 3.524 1.00 61.22 H new ATOM 0 HG11 VAL A 77 7.252 12.880 1.834 1.00 75.54 H new ATOM 0 HG12 VAL A 77 8.056 13.096 3.407 1.00 75.54 H new ATOM 0 HG13 VAL A 77 7.497 11.482 2.907 1.00 75.54 H new ATOM 0 HG21 VAL A 77 4.815 12.460 1.699 1.00 33.13 H new ATOM 0 HG22 VAL A 77 4.900 11.052 2.784 1.00 33.13 H new ATOM 0 HG23 VAL A 77 3.811 12.406 3.167 1.00 33.13 H new ATOM 1224 N VAL A 78 7.492 12.231 6.846 1.00 51.35 N ATOM 1225 CA VAL A 78 8.639 12.580 7.700 1.00 62.54 C ATOM 1226 C VAL A 78 9.898 12.744 6.822 1.00 32.43 C ATOM 1227 O VAL A 78 10.678 13.682 7.001 1.00 2.53 O ATOM 1228 CB VAL A 78 8.892 11.469 8.801 1.00 63.24 C ATOM 1229 CG1 VAL A 78 10.025 11.866 9.780 1.00 64.12 C ATOM 1230 CG2 VAL A 78 7.588 11.127 9.566 1.00 2.30 C ATOM 0 H VAL A 78 7.075 11.332 7.087 1.00 51.35 H new ATOM 0 HA VAL A 78 8.418 13.517 8.211 1.00 62.54 H new ATOM 0 HB VAL A 78 9.220 10.572 8.277 1.00 63.24 H new ATOM 0 HG11 VAL A 78 10.163 11.075 10.517 1.00 64.12 H new ATOM 0 HG12 VAL A 78 10.952 12.010 9.225 1.00 64.12 H new ATOM 0 HG13 VAL A 78 9.759 12.793 10.288 1.00 64.12 H new ATOM 0 HG21 VAL A 78 7.795 10.362 10.314 1.00 2.30 H new ATOM 0 HG22 VAL A 78 7.209 12.023 10.058 1.00 2.30 H new ATOM 0 HG23 VAL A 78 6.841 10.756 8.864 1.00 2.30 H new ATOM 1240 N LYS A 79 10.064 11.797 5.872 1.00 41.51 N ATOM 1241 CA LYS A 79 11.125 11.817 4.845 1.00 21.13 C ATOM 1242 C LYS A 79 10.593 11.156 3.568 1.00 55.43 C ATOM 1243 O LYS A 79 9.753 10.253 3.640 1.00 43.13 O ATOM 1244 CB LYS A 79 12.391 11.032 5.306 1.00 31.44 C ATOM 1245 CG LYS A 79 13.149 11.636 6.512 1.00 21.10 C ATOM 1246 CD LYS A 79 14.360 10.784 6.954 1.00 70.45 C ATOM 1247 CE LYS A 79 13.974 9.348 7.372 1.00 1.22 C ATOM 1248 NZ LYS A 79 15.156 8.542 7.763 1.00 24.01 N ATOM 0 H LYS A 79 9.453 10.984 5.798 1.00 41.51 H new ATOM 0 HA LYS A 79 11.403 12.857 4.672 1.00 21.13 H new ATOM 0 HB2 LYS A 79 12.093 10.014 5.559 1.00 31.44 H new ATOM 0 HB3 LYS A 79 13.080 10.962 4.464 1.00 31.44 H new ATOM 0 HG2 LYS A 79 13.492 12.638 6.253 1.00 21.10 H new ATOM 0 HG3 LYS A 79 12.461 11.741 7.351 1.00 21.10 H new ATOM 0 HD2 LYS A 79 15.080 10.736 6.137 1.00 70.45 H new ATOM 0 HD3 LYS A 79 14.858 11.277 7.789 1.00 70.45 H new ATOM 0 HE2 LYS A 79 13.273 9.390 8.206 1.00 1.22 H new ATOM 0 HE3 LYS A 79 13.458 8.857 6.546 1.00 1.22 H new ATOM 0 HZ1 LYS A 79 14.850 7.586 8.036 1.00 24.01 H new ATOM 0 HZ2 LYS A 79 15.814 8.479 6.960 1.00 24.01 H new ATOM 0 HZ3 LYS A 79 15.634 8.995 8.568 1.00 24.01 H new ATOM 1262 N VAL A 80 11.083 11.601 2.410 1.00 31.21 N ATOM 1263 CA VAL A 80 10.889 10.887 1.132 1.00 44.23 C ATOM 1264 C VAL A 80 12.266 10.406 0.642 1.00 44.42 C ATOM 1265 O VAL A 80 13.271 11.120 0.790 1.00 14.20 O ATOM 1266 CB VAL A 80 10.196 11.780 0.031 1.00 14.53 C ATOM 1267 CG1 VAL A 80 11.057 12.995 -0.364 1.00 52.52 C ATOM 1268 CG2 VAL A 80 9.814 10.943 -1.215 1.00 13.15 C ATOM 0 H VAL A 80 11.624 12.461 2.324 1.00 31.21 H new ATOM 0 HA VAL A 80 10.218 10.045 1.304 1.00 44.23 H new ATOM 0 HB VAL A 80 9.279 12.168 0.474 1.00 14.53 H new ATOM 0 HG11 VAL A 80 10.537 13.578 -1.124 1.00 52.52 H new ATOM 0 HG12 VAL A 80 11.232 13.617 0.514 1.00 52.52 H new ATOM 0 HG13 VAL A 80 12.012 12.651 -0.761 1.00 52.52 H new ATOM 0 HG21 VAL A 80 9.339 11.587 -1.955 1.00 13.15 H new ATOM 0 HG22 VAL A 80 10.712 10.499 -1.644 1.00 13.15 H new ATOM 0 HG23 VAL A 80 9.122 10.153 -0.924 1.00 13.15 H new ATOM 1278 N GLN A 81 12.319 9.190 0.096 1.00 22.01 N ATOM 1279 CA GLN A 81 13.565 8.574 -0.395 1.00 71.01 C ATOM 1280 C GLN A 81 13.314 7.922 -1.762 1.00 52.01 C ATOM 1281 O GLN A 81 12.232 7.388 -2.016 1.00 45.50 O ATOM 1282 CB GLN A 81 14.073 7.527 0.630 1.00 43.34 C ATOM 1283 CG GLN A 81 14.574 8.123 1.966 1.00 25.31 C ATOM 1284 CD GLN A 81 14.717 7.085 3.079 1.00 42.13 C ATOM 1285 OE1 GLN A 81 13.803 6.895 3.887 1.00 11.13 O ATOM 1286 NE2 GLN A 81 15.850 6.394 3.118 1.00 2.13 N ATOM 0 H GLN A 81 11.497 8.597 -0.021 1.00 22.01 H new ATOM 0 HA GLN A 81 14.331 9.341 -0.511 1.00 71.01 H new ATOM 0 HB2 GLN A 81 13.267 6.824 0.841 1.00 43.34 H new ATOM 0 HB3 GLN A 81 14.883 6.957 0.176 1.00 43.34 H new ATOM 0 HG2 GLN A 81 15.538 8.604 1.802 1.00 25.31 H new ATOM 0 HG3 GLN A 81 13.882 8.900 2.291 1.00 25.31 H new ATOM 0 HE21 GLN A 81 16.584 6.578 2.434 1.00 2.13 H new ATOM 0 HE22 GLN A 81 15.987 5.679 3.832 1.00 2.13 H new ATOM 1295 N ARG A 82 14.324 7.999 -2.639 1.00 13.22 N ATOM 1296 CA ARG A 82 14.279 7.420 -3.989 1.00 5.52 C ATOM 1297 C ARG A 82 15.295 6.272 -4.053 1.00 44.34 C ATOM 1298 O ARG A 82 16.496 6.512 -4.221 1.00 54.11 O ATOM 1299 CB ARG A 82 14.615 8.499 -5.058 1.00 22.32 C ATOM 1300 CG ARG A 82 13.758 9.777 -4.983 1.00 43.33 C ATOM 1301 CD ARG A 82 14.151 10.817 -6.048 1.00 33.33 C ATOM 1302 NE ARG A 82 13.943 10.307 -7.419 1.00 32.14 N ATOM 1303 CZ ARG A 82 14.400 10.884 -8.542 1.00 64.13 C ATOM 1304 NH1 ARG A 82 15.112 12.003 -8.496 1.00 25.43 N ATOM 1305 NH2 ARG A 82 14.133 10.338 -9.716 1.00 61.44 N ATOM 0 H ARG A 82 15.204 8.470 -2.429 1.00 13.22 H new ATOM 0 HA ARG A 82 13.277 7.046 -4.198 1.00 5.52 H new ATOM 0 HB2 ARG A 82 15.664 8.776 -4.956 1.00 22.32 H new ATOM 0 HB3 ARG A 82 14.497 8.058 -6.048 1.00 22.32 H new ATOM 0 HG2 ARG A 82 12.708 9.514 -5.108 1.00 43.33 H new ATOM 0 HG3 ARG A 82 13.860 10.221 -3.993 1.00 43.33 H new ATOM 0 HD2 ARG A 82 13.563 11.723 -5.905 1.00 33.33 H new ATOM 0 HD3 ARG A 82 15.198 11.092 -5.918 1.00 33.33 H new ATOM 0 HE ARG A 82 13.408 9.445 -7.521 1.00 32.14 H new ATOM 0 HH11 ARG A 82 15.320 12.438 -7.597 1.00 25.43 H new ATOM 0 HH12 ARG A 82 15.451 12.428 -9.359 1.00 25.43 H new ATOM 0 HH21 ARG A 82 13.582 9.481 -9.766 1.00 61.44 H new ATOM 0 HH22 ARG A 82 14.478 10.773 -10.571 1.00 61.44 H new ATOM 1319 N ASN A 83 14.825 5.040 -3.838 1.00 2.01 N ATOM 1320 CA ASN A 83 15.685 3.837 -3.837 1.00 45.12 C ATOM 1321 C ASN A 83 15.607 3.176 -5.219 1.00 73.13 C ATOM 1322 O ASN A 83 14.589 3.296 -5.920 1.00 34.24 O ATOM 1323 CB ASN A 83 15.256 2.822 -2.730 1.00 54.20 C ATOM 1324 CG ASN A 83 15.147 3.412 -1.313 1.00 11.44 C ATOM 1325 OD1 ASN A 83 14.867 4.597 -1.123 1.00 43.45 O ATOM 1326 ND2 ASN A 83 15.352 2.581 -0.304 1.00 64.30 N ATOM 0 H ASN A 83 13.841 4.841 -3.659 1.00 2.01 H new ATOM 0 HA ASN A 83 16.709 4.139 -3.619 1.00 45.12 H new ATOM 0 HB2 ASN A 83 14.292 2.395 -3.004 1.00 54.20 H new ATOM 0 HB3 ASN A 83 15.974 2.002 -2.712 1.00 54.20 H new ATOM 0 HD21 ASN A 83 15.279 2.917 0.656 1.00 64.30 H new ATOM 0 HD22 ASN A 83 15.583 1.604 -0.486 1.00 64.30 H new ATOM 1333 N GLN A 84 16.682 2.480 -5.601 1.00 71.05 N ATOM 1334 CA GLN A 84 16.769 1.780 -6.889 1.00 15.21 C ATOM 1335 C GLN A 84 16.175 0.371 -6.731 1.00 51.42 C ATOM 1336 O GLN A 84 16.376 -0.279 -5.691 1.00 32.53 O ATOM 1337 CB GLN A 84 18.245 1.698 -7.353 1.00 71.22 C ATOM 1338 CG GLN A 84 18.450 1.034 -8.735 1.00 21.40 C ATOM 1339 CD GLN A 84 19.902 1.000 -9.218 1.00 4.24 C ATOM 1340 OE1 GLN A 84 20.165 1.057 -10.422 1.00 30.41 O ATOM 1341 NE2 GLN A 84 20.853 0.862 -8.308 1.00 0.05 N ATOM 0 H GLN A 84 17.519 2.385 -5.026 1.00 71.05 H new ATOM 0 HA GLN A 84 16.206 2.327 -7.645 1.00 15.21 H new ATOM 0 HB2 GLN A 84 18.659 2.706 -7.384 1.00 71.22 H new ATOM 0 HB3 GLN A 84 18.816 1.142 -6.609 1.00 71.22 H new ATOM 0 HG2 GLN A 84 18.071 0.013 -8.692 1.00 21.40 H new ATOM 0 HG3 GLN A 84 17.848 1.566 -9.472 1.00 21.40 H new ATOM 0 HE21 GLN A 84 20.609 0.817 -7.319 1.00 0.05 H new ATOM 0 HE22 GLN A 84 21.830 0.800 -8.596 1.00 0.05 H new ATOM 1350 N SER A 85 15.442 -0.084 -7.761 1.00 23.54 N ATOM 1351 CA SER A 85 14.720 -1.357 -7.727 1.00 74.34 C ATOM 1352 C SER A 85 15.666 -2.543 -7.926 1.00 21.44 C ATOM 1353 O SER A 85 16.403 -2.625 -8.917 1.00 43.34 O ATOM 1354 CB SER A 85 13.573 -1.380 -8.748 1.00 71.11 C ATOM 1355 OG SER A 85 12.830 -2.587 -8.686 1.00 11.14 O ATOM 0 H SER A 85 15.336 0.424 -8.639 1.00 23.54 H new ATOM 0 HA SER A 85 14.278 -1.453 -6.735 1.00 74.34 H new ATOM 0 HB2 SER A 85 12.908 -0.535 -8.566 1.00 71.11 H new ATOM 0 HB3 SER A 85 13.979 -1.255 -9.752 1.00 71.11 H new ATOM 0 HG SER A 85 12.751 -2.969 -9.585 1.00 11.14 H new ATOM 1361 N ASP A 86 15.619 -3.438 -6.942 1.00 34.35 N ATOM 1362 CA ASP A 86 16.371 -4.683 -6.901 1.00 44.45 C ATOM 1363 C ASP A 86 15.446 -5.727 -6.253 1.00 53.44 C ATOM 1364 O ASP A 86 14.821 -5.416 -5.226 1.00 41.22 O ATOM 1365 CB ASP A 86 17.678 -4.492 -6.078 1.00 64.41 C ATOM 1366 CG ASP A 86 18.672 -5.669 -6.188 1.00 43.50 C ATOM 1367 OD1 ASP A 86 18.424 -6.740 -5.599 1.00 22.52 O ATOM 1368 OD2 ASP A 86 19.715 -5.524 -6.864 1.00 25.25 O ATOM 0 H ASP A 86 15.031 -3.307 -6.119 1.00 34.35 H new ATOM 0 HA ASP A 86 16.672 -5.007 -7.897 1.00 44.45 H new ATOM 0 HB2 ASP A 86 18.174 -3.580 -6.411 1.00 64.41 H new ATOM 0 HB3 ASP A 86 17.416 -4.349 -5.030 1.00 64.41 H new ATOM 1373 N PRO A 87 15.319 -6.963 -6.839 1.00 53.21 N ATOM 1374 CA PRO A 87 14.416 -8.027 -6.321 1.00 52.23 C ATOM 1375 C PRO A 87 14.634 -8.351 -4.824 1.00 51.02 C ATOM 1376 O PRO A 87 13.675 -8.665 -4.106 1.00 60.24 O ATOM 1377 CB PRO A 87 14.750 -9.257 -7.224 1.00 2.13 C ATOM 1378 CG PRO A 87 16.048 -8.912 -7.898 1.00 24.52 C ATOM 1379 CD PRO A 87 16.017 -7.417 -8.071 1.00 41.33 C ATOM 0 HA PRO A 87 13.371 -7.720 -6.366 1.00 52.23 H new ATOM 0 HB2 PRO A 87 14.844 -10.167 -6.631 1.00 2.13 H new ATOM 0 HB3 PRO A 87 13.962 -9.434 -7.956 1.00 2.13 H new ATOM 0 HG2 PRO A 87 16.900 -9.221 -7.293 1.00 24.52 H new ATOM 0 HG3 PRO A 87 16.139 -9.418 -8.859 1.00 24.52 H new ATOM 0 HD2 PRO A 87 17.020 -6.997 -8.147 1.00 41.33 H new ATOM 0 HD3 PRO A 87 15.479 -7.124 -8.973 1.00 41.33 H new ATOM 1387 N THR A 88 15.891 -8.238 -4.359 1.00 52.52 N ATOM 1388 CA THR A 88 16.248 -8.593 -2.978 1.00 15.45 C ATOM 1389 C THR A 88 15.892 -7.471 -1.992 1.00 61.23 C ATOM 1390 O THR A 88 15.608 -7.764 -0.837 1.00 22.43 O ATOM 1391 CB THR A 88 17.753 -8.953 -2.819 1.00 63.54 C ATOM 1392 OG1 THR A 88 18.579 -7.794 -3.012 1.00 65.42 O ATOM 1393 CG2 THR A 88 18.185 -10.042 -3.809 1.00 75.30 C ATOM 0 H THR A 88 16.674 -7.904 -4.920 1.00 52.52 H new ATOM 0 HA THR A 88 15.658 -9.479 -2.744 1.00 15.45 H new ATOM 0 HB THR A 88 17.880 -9.331 -1.804 1.00 63.54 H new ATOM 0 HG1 THR A 88 18.483 -7.474 -3.933 1.00 65.42 H new ATOM 0 HG21 THR A 88 19.242 -10.265 -3.666 1.00 75.30 H new ATOM 0 HG22 THR A 88 17.597 -10.944 -3.637 1.00 75.30 H new ATOM 0 HG23 THR A 88 18.023 -9.692 -4.828 1.00 75.30 H new ATOM 1401 N MET A 89 15.911 -6.193 -2.466 1.00 32.45 N ATOM 1402 CA MET A 89 15.592 -5.009 -1.633 1.00 71.02 C ATOM 1403 C MET A 89 14.221 -5.168 -0.958 1.00 74.43 C ATOM 1404 O MET A 89 14.131 -5.127 0.277 1.00 25.45 O ATOM 1405 CB MET A 89 15.634 -3.705 -2.487 1.00 71.21 C ATOM 1406 CG MET A 89 15.113 -2.439 -1.767 1.00 63.52 C ATOM 1407 SD MET A 89 15.963 -2.121 -0.201 1.00 20.15 S ATOM 1408 CE MET A 89 14.953 -0.813 0.502 1.00 52.13 C ATOM 0 H MET A 89 16.147 -5.961 -3.431 1.00 32.45 H new ATOM 0 HA MET A 89 16.349 -4.932 -0.853 1.00 71.02 H new ATOM 0 HB2 MET A 89 16.662 -3.528 -2.804 1.00 71.21 H new ATOM 0 HB3 MET A 89 15.044 -3.860 -3.390 1.00 71.21 H new ATOM 0 HG2 MET A 89 15.236 -1.577 -2.423 1.00 63.52 H new ATOM 0 HG3 MET A 89 14.045 -2.547 -1.580 1.00 63.52 H new ATOM 0 HE1 MET A 89 15.598 -0.030 0.900 1.00 52.13 H new ATOM 0 HE2 MET A 89 14.309 -0.395 -0.272 1.00 52.13 H new ATOM 0 HE3 MET A 89 14.338 -1.220 1.305 1.00 52.13 H new ATOM 1418 N PHE A 90 13.195 -5.428 -1.796 1.00 55.13 N ATOM 1419 CA PHE A 90 11.790 -5.597 -1.373 1.00 12.52 C ATOM 1420 C PHE A 90 11.672 -6.718 -0.308 1.00 42.34 C ATOM 1421 O PHE A 90 11.055 -6.535 0.766 1.00 54.24 O ATOM 1422 CB PHE A 90 10.931 -5.912 -2.642 1.00 30.32 C ATOM 1423 CG PHE A 90 9.413 -5.903 -2.433 1.00 13.22 C ATOM 1424 CD1 PHE A 90 8.673 -4.725 -2.599 1.00 62.35 C ATOM 1425 CD2 PHE A 90 8.721 -7.070 -2.086 1.00 0.43 C ATOM 1426 CE1 PHE A 90 7.300 -4.718 -2.426 1.00 53.30 C ATOM 1427 CE2 PHE A 90 7.350 -7.057 -1.912 1.00 64.11 C ATOM 1428 CZ PHE A 90 6.642 -5.881 -2.082 1.00 14.14 C ATOM 0 H PHE A 90 13.323 -5.528 -2.803 1.00 55.13 H new ATOM 0 HA PHE A 90 11.422 -4.682 -0.909 1.00 12.52 H new ATOM 0 HB2 PHE A 90 11.178 -5.185 -3.415 1.00 30.32 H new ATOM 0 HB3 PHE A 90 11.222 -6.892 -3.022 1.00 30.32 H new ATOM 0 HD1 PHE A 90 9.181 -3.810 -2.866 1.00 62.35 H new ATOM 0 HD2 PHE A 90 9.266 -7.993 -1.953 1.00 0.43 H new ATOM 0 HE1 PHE A 90 6.743 -3.802 -2.560 1.00 53.30 H new ATOM 0 HE2 PHE A 90 6.831 -7.965 -1.643 1.00 64.11 H new ATOM 0 HZ PHE A 90 5.571 -5.873 -1.945 1.00 14.14 H new ATOM 1438 N ASN A 91 12.357 -7.845 -0.588 1.00 74.33 N ATOM 1439 CA ASN A 91 12.319 -9.032 0.272 1.00 31.24 C ATOM 1440 C ASN A 91 13.101 -8.785 1.576 1.00 25.21 C ATOM 1441 O ASN A 91 12.738 -9.324 2.623 1.00 32.44 O ATOM 1442 CB ASN A 91 12.883 -10.262 -0.491 1.00 20.14 C ATOM 1443 CG ASN A 91 12.879 -11.539 0.363 1.00 1.52 C ATOM 1444 OD1 ASN A 91 13.876 -11.892 0.994 1.00 31.12 O ATOM 1445 ND2 ASN A 91 11.748 -12.215 0.421 1.00 45.01 N ATOM 0 H ASN A 91 12.947 -7.952 -1.413 1.00 74.33 H new ATOM 0 HA ASN A 91 11.283 -9.238 0.539 1.00 31.24 H new ATOM 0 HB2 ASN A 91 12.291 -10.429 -1.391 1.00 20.14 H new ATOM 0 HB3 ASN A 91 13.902 -10.049 -0.814 1.00 20.14 H new ATOM 0 HD21 ASN A 91 11.684 -13.053 0.999 1.00 45.01 H new ATOM 0 HD22 ASN A 91 10.938 -11.900 -0.112 1.00 45.01 H new ATOM 1452 N LYS A 92 14.140 -7.925 1.490 1.00 72.02 N ATOM 1453 CA LYS A 92 15.085 -7.687 2.587 1.00 45.22 C ATOM 1454 C LYS A 92 14.398 -7.002 3.764 1.00 34.14 C ATOM 1455 O LYS A 92 14.505 -7.485 4.887 1.00 72.13 O ATOM 1456 CB LYS A 92 16.310 -6.853 2.121 1.00 61.45 C ATOM 1457 CG LYS A 92 17.413 -6.710 3.193 1.00 54.31 C ATOM 1458 CD LYS A 92 18.043 -8.070 3.584 1.00 40.22 C ATOM 1459 CE LYS A 92 18.992 -7.958 4.791 1.00 62.51 C ATOM 1460 NZ LYS A 92 20.103 -6.998 4.560 1.00 41.02 N ATOM 0 H LYS A 92 14.341 -7.378 0.653 1.00 72.02 H new ATOM 0 HA LYS A 92 15.447 -8.662 2.914 1.00 45.22 H new ATOM 0 HB2 LYS A 92 16.738 -7.319 1.233 1.00 61.45 H new ATOM 0 HB3 LYS A 92 15.971 -5.860 1.828 1.00 61.45 H new ATOM 0 HG2 LYS A 92 18.193 -6.046 2.820 1.00 54.31 H new ATOM 0 HG3 LYS A 92 16.992 -6.240 4.082 1.00 54.31 H new ATOM 0 HD2 LYS A 92 17.250 -8.781 3.815 1.00 40.22 H new ATOM 0 HD3 LYS A 92 18.591 -8.471 2.731 1.00 40.22 H new ATOM 0 HE2 LYS A 92 18.424 -7.646 5.667 1.00 62.51 H new ATOM 0 HE3 LYS A 92 19.407 -8.941 5.014 1.00 62.51 H new ATOM 0 HZ1 LYS A 92 20.730 -6.987 5.390 1.00 41.02 H new ATOM 0 HZ2 LYS A 92 20.644 -7.289 3.721 1.00 41.02 H new ATOM 0 HZ3 LYS A 92 19.713 -6.046 4.408 1.00 41.02 H new ATOM 1474 N ILE A 93 13.677 -5.887 3.517 1.00 35.20 N ATOM 1475 CA ILE A 93 12.984 -5.185 4.619 1.00 53.13 C ATOM 1476 C ILE A 93 11.744 -5.976 5.072 1.00 62.55 C ATOM 1477 O ILE A 93 11.371 -5.911 6.252 1.00 43.34 O ATOM 1478 CB ILE A 93 12.584 -3.696 4.304 1.00 12.35 C ATOM 1479 CG1 ILE A 93 11.499 -3.584 3.173 1.00 63.32 C ATOM 1480 CG2 ILE A 93 13.841 -2.851 3.974 1.00 13.33 C ATOM 1481 CD1 ILE A 93 12.002 -3.537 1.753 1.00 15.43 C ATOM 0 H ILE A 93 13.561 -5.464 2.596 1.00 35.20 H new ATOM 0 HA ILE A 93 13.716 -5.133 5.425 1.00 53.13 H new ATOM 0 HB ILE A 93 12.123 -3.290 5.205 1.00 12.35 H new ATOM 0 HG12 ILE A 93 10.822 -4.433 3.266 1.00 63.32 H new ATOM 0 HG13 ILE A 93 10.910 -2.685 3.355 1.00 63.32 H new ATOM 0 HG21 ILE A 93 13.543 -1.825 3.759 1.00 13.33 H new ATOM 0 HG22 ILE A 93 14.520 -2.861 4.826 1.00 13.33 H new ATOM 0 HG23 ILE A 93 14.345 -3.272 3.104 1.00 13.33 H new ATOM 0 HD11 ILE A 93 11.156 -3.460 1.070 1.00 15.43 H new ATOM 0 HD12 ILE A 93 12.652 -2.671 1.626 1.00 15.43 H new ATOM 0 HD13 ILE A 93 12.562 -4.446 1.535 1.00 15.43 H new ATOM 1493 N ALA A 94 11.119 -6.724 4.124 1.00 1.31 N ATOM 1494 CA ALA A 94 9.967 -7.592 4.436 1.00 4.31 C ATOM 1495 C ALA A 94 10.347 -8.715 5.434 1.00 61.23 C ATOM 1496 O ALA A 94 9.536 -9.094 6.287 1.00 1.42 O ATOM 1497 CB ALA A 94 9.385 -8.176 3.140 1.00 41.21 C ATOM 0 H ALA A 94 11.397 -6.739 3.143 1.00 1.31 H new ATOM 0 HA ALA A 94 9.204 -6.983 4.921 1.00 4.31 H new ATOM 0 HB1 ALA A 94 8.535 -8.816 3.379 1.00 41.21 H new ATOM 0 HB2 ALA A 94 9.057 -7.364 2.490 1.00 41.21 H new ATOM 0 HB3 ALA A 94 10.149 -8.763 2.630 1.00 41.21 H new ATOM 1503 N VAL A 95 11.583 -9.246 5.317 1.00 71.33 N ATOM 1504 CA VAL A 95 12.093 -10.294 6.230 1.00 15.11 C ATOM 1505 C VAL A 95 12.778 -9.684 7.479 1.00 70.30 C ATOM 1506 O VAL A 95 12.824 -10.322 8.530 1.00 10.21 O ATOM 1507 CB VAL A 95 13.055 -11.307 5.482 1.00 11.32 C ATOM 1508 CG1 VAL A 95 14.393 -10.656 5.069 1.00 12.41 C ATOM 1509 CG2 VAL A 95 13.288 -12.593 6.316 1.00 61.44 C ATOM 0 H VAL A 95 12.249 -8.965 4.597 1.00 71.33 H new ATOM 0 HA VAL A 95 11.229 -10.861 6.577 1.00 15.11 H new ATOM 0 HB VAL A 95 12.547 -11.594 4.561 1.00 11.32 H new ATOM 0 HG11 VAL A 95 15.015 -11.393 4.561 1.00 12.41 H new ATOM 0 HG12 VAL A 95 14.199 -9.820 4.397 1.00 12.41 H new ATOM 0 HG13 VAL A 95 14.911 -10.295 5.957 1.00 12.41 H new ATOM 0 HG21 VAL A 95 13.952 -13.264 5.772 1.00 61.44 H new ATOM 0 HG22 VAL A 95 13.741 -12.330 7.272 1.00 61.44 H new ATOM 0 HG23 VAL A 95 12.334 -13.090 6.492 1.00 61.44 H new ATOM 1519 N PHE A 96 13.283 -8.436 7.363 1.00 14.12 N ATOM 1520 CA PHE A 96 14.046 -7.768 8.446 1.00 51.50 C ATOM 1521 C PHE A 96 13.100 -7.188 9.510 1.00 53.53 C ATOM 1522 O PHE A 96 13.454 -7.166 10.698 1.00 64.13 O ATOM 1523 CB PHE A 96 14.938 -6.646 7.842 1.00 13.22 C ATOM 1524 CG PHE A 96 15.882 -5.958 8.832 1.00 54.32 C ATOM 1525 CD1 PHE A 96 17.040 -6.601 9.272 1.00 32.54 C ATOM 1526 CD2 PHE A 96 15.614 -4.678 9.323 1.00 54.11 C ATOM 1527 CE1 PHE A 96 17.898 -5.985 10.168 1.00 31.33 C ATOM 1528 CE2 PHE A 96 16.474 -4.067 10.217 1.00 40.13 C ATOM 1529 CZ PHE A 96 17.612 -4.720 10.641 1.00 2.14 C ATOM 0 H PHE A 96 13.176 -7.866 6.524 1.00 14.12 H new ATOM 0 HA PHE A 96 14.681 -8.508 8.933 1.00 51.50 H new ATOM 0 HB2 PHE A 96 15.533 -7.072 7.034 1.00 13.22 H new ATOM 0 HB3 PHE A 96 14.291 -5.890 7.397 1.00 13.22 H new ATOM 0 HD1 PHE A 96 17.270 -7.592 8.909 1.00 32.54 H new ATOM 0 HD2 PHE A 96 14.724 -4.159 9.000 1.00 54.11 H new ATOM 0 HE1 PHE A 96 18.792 -6.495 10.497 1.00 31.33 H new ATOM 0 HE2 PHE A 96 16.254 -3.076 10.584 1.00 40.13 H new ATOM 0 HZ PHE A 96 18.279 -4.242 11.343 1.00 2.14 H new ATOM 1692 N ASP B 9 -4.610 -8.933 16.685 1.00 33.12 N ATOM 1693 CA ASP B 9 -5.846 -8.114 16.732 1.00 2.41 C ATOM 1694 C ASP B 9 -6.133 -7.520 15.346 1.00 34.33 C ATOM 1695 O ASP B 9 -7.288 -7.263 14.990 1.00 23.04 O ATOM 1696 CB ASP B 9 -5.715 -6.994 17.795 1.00 44.44 C ATOM 1697 CG ASP B 9 -7.040 -6.262 18.066 1.00 72.23 C ATOM 1698 OD1 ASP B 9 -8.008 -6.942 18.471 1.00 43.12 O ATOM 1699 OD2 ASP B 9 -7.129 -5.027 17.867 1.00 35.12 O ATOM 0 HA ASP B 9 -6.682 -8.752 17.017 1.00 2.41 H new ATOM 0 HB2 ASP B 9 -5.348 -7.426 18.726 1.00 44.44 H new ATOM 0 HB3 ASP B 9 -4.969 -6.272 17.463 1.00 44.44 H new ATOM 1704 N ASN B 10 -5.056 -7.332 14.569 1.00 51.10 N ATOM 1705 CA ASN B 10 -5.135 -6.923 13.159 1.00 15.50 C ATOM 1706 C ASN B 10 -5.523 -8.139 12.292 1.00 63.34 C ATOM 1707 O ASN B 10 -5.472 -9.288 12.752 1.00 12.32 O ATOM 1708 CB ASN B 10 -3.779 -6.311 12.680 1.00 13.20 C ATOM 1709 CG ASN B 10 -2.597 -7.288 12.764 1.00 75.52 C ATOM 1710 OD1 ASN B 10 -2.567 -8.166 13.619 1.00 64.22 O ATOM 1711 ND2 ASN B 10 -1.614 -7.139 11.894 1.00 52.43 N ATOM 0 H ASN B 10 -4.101 -7.460 14.903 1.00 51.10 H new ATOM 0 HA ASN B 10 -5.900 -6.153 13.056 1.00 15.50 H new ATOM 0 HB2 ASN B 10 -3.887 -5.973 11.649 1.00 13.20 H new ATOM 0 HB3 ASN B 10 -3.555 -5.431 13.282 1.00 13.20 H new ATOM 0 HD21 ASN B 10 -0.807 -7.762 11.925 1.00 52.43 H new ATOM 0 HD22 ASN B 10 -1.662 -6.401 11.192 1.00 52.43 H new ATOM 1718 N VAL B 11 -5.929 -7.873 11.049 1.00 50.43 N ATOM 1719 CA VAL B 11 -6.314 -8.897 10.057 1.00 12.40 C ATOM 1720 C VAL B 11 -5.652 -8.565 8.730 1.00 75.53 C ATOM 1721 O VAL B 11 -5.385 -7.401 8.440 1.00 42.21 O ATOM 1722 CB VAL B 11 -7.874 -9.024 9.851 1.00 74.12 C ATOM 1723 CG1 VAL B 11 -8.538 -9.708 11.066 1.00 62.05 C ATOM 1724 CG2 VAL B 11 -8.517 -7.642 9.551 1.00 11.23 C ATOM 0 H VAL B 11 -6.003 -6.921 10.689 1.00 50.43 H new ATOM 0 HA VAL B 11 -5.976 -9.859 10.441 1.00 12.40 H new ATOM 0 HB VAL B 11 -8.047 -9.657 8.981 1.00 74.12 H new ATOM 0 HG11 VAL B 11 -9.612 -9.783 10.899 1.00 62.05 H new ATOM 0 HG12 VAL B 11 -8.120 -10.706 11.195 1.00 62.05 H new ATOM 0 HG13 VAL B 11 -8.351 -9.118 11.963 1.00 62.05 H new ATOM 0 HG21 VAL B 11 -9.592 -7.763 9.414 1.00 11.23 H new ATOM 0 HG22 VAL B 11 -8.331 -6.965 10.385 1.00 11.23 H new ATOM 0 HG23 VAL B 11 -8.080 -7.227 8.643 1.00 11.23 H new ATOM 1734 N ILE B 12 -5.388 -9.606 7.947 1.00 12.04 N ATOM 1735 CA ILE B 12 -4.679 -9.514 6.677 1.00 11.33 C ATOM 1736 C ILE B 12 -5.725 -9.555 5.540 1.00 2.11 C ATOM 1737 O ILE B 12 -6.117 -10.624 5.086 1.00 2.31 O ATOM 1738 CB ILE B 12 -3.646 -10.707 6.558 1.00 33.13 C ATOM 1739 CG1 ILE B 12 -2.789 -10.861 7.846 1.00 21.11 C ATOM 1740 CG2 ILE B 12 -2.718 -10.531 5.361 1.00 31.23 C ATOM 1741 CD1 ILE B 12 -1.801 -9.744 8.127 1.00 24.14 C ATOM 0 H ILE B 12 -5.668 -10.558 8.184 1.00 12.04 H new ATOM 0 HA ILE B 12 -4.116 -8.583 6.610 1.00 11.33 H new ATOM 0 HB ILE B 12 -4.240 -11.610 6.419 1.00 33.13 H new ATOM 0 HG12 ILE B 12 -3.463 -10.946 8.699 1.00 21.11 H new ATOM 0 HG13 ILE B 12 -2.237 -11.799 7.781 1.00 21.11 H new ATOM 0 HG21 ILE B 12 -2.023 -11.370 5.313 1.00 31.23 H new ATOM 0 HG22 ILE B 12 -3.308 -10.495 4.445 1.00 31.23 H new ATOM 0 HG23 ILE B 12 -2.158 -9.602 5.468 1.00 31.23 H new ATOM 0 HD11 ILE B 12 -1.261 -9.959 9.049 1.00 24.14 H new ATOM 0 HD12 ILE B 12 -1.094 -9.668 7.301 1.00 24.14 H new ATOM 0 HD13 ILE B 12 -2.338 -8.801 8.233 1.00 24.14 H new ATOM 1753 N LEU B 13 -6.214 -8.387 5.113 1.00 52.24 N ATOM 1754 CA LEU B 13 -7.325 -8.308 4.145 1.00 64.24 C ATOM 1755 C LEU B 13 -6.775 -8.368 2.720 1.00 75.25 C ATOM 1756 O LEU B 13 -6.253 -7.381 2.210 1.00 72.20 O ATOM 1757 CB LEU B 13 -8.170 -7.020 4.380 1.00 21.52 C ATOM 1758 CG LEU B 13 -8.901 -6.949 5.758 1.00 4.01 C ATOM 1759 CD1 LEU B 13 -9.688 -5.635 5.916 1.00 14.21 C ATOM 1760 CD2 LEU B 13 -9.819 -8.177 5.955 1.00 34.33 C ATOM 0 H LEU B 13 -5.862 -7.480 5.419 1.00 52.24 H new ATOM 0 HA LEU B 13 -7.988 -9.161 4.291 1.00 64.24 H new ATOM 0 HB2 LEU B 13 -7.516 -6.153 4.288 1.00 21.52 H new ATOM 0 HB3 LEU B 13 -8.914 -6.943 3.587 1.00 21.52 H new ATOM 0 HG LEU B 13 -8.140 -6.965 6.538 1.00 4.01 H new ATOM 0 HD11 LEU B 13 -10.183 -5.622 6.887 1.00 14.21 H new ATOM 0 HD12 LEU B 13 -9.003 -4.790 5.847 1.00 14.21 H new ATOM 0 HD13 LEU B 13 -10.436 -5.562 5.126 1.00 14.21 H new ATOM 0 HD21 LEU B 13 -10.318 -8.107 6.921 1.00 34.33 H new ATOM 0 HD22 LEU B 13 -10.566 -8.204 5.162 1.00 34.33 H new ATOM 0 HD23 LEU B 13 -9.221 -9.088 5.921 1.00 34.33 H new ATOM 1772 N GLU B 14 -6.911 -9.547 2.085 1.00 34.23 N ATOM 1773 CA GLU B 14 -6.322 -9.823 0.770 1.00 4.33 C ATOM 1774 C GLU B 14 -7.282 -9.345 -0.331 1.00 50.00 C ATOM 1775 O GLU B 14 -8.219 -10.050 -0.731 1.00 43.41 O ATOM 1776 CB GLU B 14 -6.005 -11.337 0.628 1.00 73.31 C ATOM 1777 CG GLU B 14 -5.300 -11.740 -0.691 1.00 52.34 C ATOM 1778 CD GLU B 14 -4.928 -13.238 -0.766 1.00 14.33 C ATOM 1779 OE1 GLU B 14 -4.432 -13.790 0.238 1.00 51.51 O ATOM 1780 OE2 GLU B 14 -5.111 -13.865 -1.833 1.00 5.24 O ATOM 0 H GLU B 14 -7.433 -10.333 2.473 1.00 34.23 H new ATOM 0 HA GLU B 14 -5.383 -9.280 0.669 1.00 4.33 H new ATOM 0 HB2 GLU B 14 -5.377 -11.641 1.465 1.00 73.31 H new ATOM 0 HB3 GLU B 14 -6.937 -11.897 0.709 1.00 73.31 H new ATOM 0 HG2 GLU B 14 -5.951 -11.494 -1.530 1.00 52.34 H new ATOM 0 HG3 GLU B 14 -4.394 -11.144 -0.805 1.00 52.34 H new ATOM 1787 N LEU B 15 -7.067 -8.103 -0.760 1.00 45.33 N ATOM 1788 CA LEU B 15 -7.815 -7.478 -1.847 1.00 73.22 C ATOM 1789 C LEU B 15 -7.127 -7.817 -3.165 1.00 51.41 C ATOM 1790 O LEU B 15 -6.075 -7.268 -3.492 1.00 2.12 O ATOM 1791 CB LEU B 15 -7.913 -5.935 -1.636 1.00 54.33 C ATOM 1792 CG LEU B 15 -9.096 -5.431 -0.749 1.00 22.11 C ATOM 1793 CD1 LEU B 15 -10.440 -5.637 -1.466 1.00 72.41 C ATOM 1794 CD2 LEU B 15 -9.102 -6.088 0.651 1.00 21.34 C ATOM 0 H LEU B 15 -6.356 -7.493 -0.355 1.00 45.33 H new ATOM 0 HA LEU B 15 -8.835 -7.861 -1.864 1.00 73.22 H new ATOM 0 HB2 LEU B 15 -6.980 -5.591 -1.190 1.00 54.33 H new ATOM 0 HB3 LEU B 15 -7.992 -5.460 -2.614 1.00 54.33 H new ATOM 0 HG LEU B 15 -8.949 -4.362 -0.593 1.00 22.11 H new ATOM 0 HD11 LEU B 15 -11.250 -5.279 -0.830 1.00 72.41 H new ATOM 0 HD12 LEU B 15 -10.441 -5.081 -2.403 1.00 72.41 H new ATOM 0 HD13 LEU B 15 -10.583 -6.697 -1.673 1.00 72.41 H new ATOM 0 HD21 LEU B 15 -9.943 -5.705 1.229 1.00 21.34 H new ATOM 0 HD22 LEU B 15 -9.197 -7.169 0.545 1.00 21.34 H new ATOM 0 HD23 LEU B 15 -8.171 -5.854 1.167 1.00 21.34 H new ATOM 1806 N THR B 16 -7.740 -8.727 -3.908 1.00 71.42 N ATOM 1807 CA THR B 16 -7.268 -9.136 -5.217 1.00 40.41 C ATOM 1808 C THR B 16 -7.844 -8.151 -6.231 1.00 21.41 C ATOM 1809 O THR B 16 -9.009 -8.258 -6.596 1.00 23.14 O ATOM 1810 CB THR B 16 -7.723 -10.594 -5.545 1.00 34.34 C ATOM 1811 OG1 THR B 16 -7.153 -11.518 -4.593 1.00 70.14 O ATOM 1812 CG2 THR B 16 -7.330 -11.001 -6.982 1.00 33.20 C ATOM 0 H THR B 16 -8.590 -9.207 -3.612 1.00 71.42 H new ATOM 0 HA THR B 16 -6.178 -9.129 -5.248 1.00 40.41 H new ATOM 0 HB THR B 16 -8.810 -10.629 -5.474 1.00 34.34 H new ATOM 0 HG1 THR B 16 -7.445 -12.429 -4.806 1.00 70.14 H new ATOM 0 HG21 THR B 16 -7.662 -12.021 -7.175 1.00 33.20 H new ATOM 0 HG22 THR B 16 -7.803 -10.324 -7.694 1.00 33.20 H new ATOM 0 HG23 THR B 16 -6.247 -10.945 -7.093 1.00 33.20 H new ATOM 1820 N VAL B 17 -7.051 -7.141 -6.601 1.00 45.21 N ATOM 1821 CA VAL B 17 -7.478 -6.093 -7.535 1.00 71.42 C ATOM 1822 C VAL B 17 -6.590 -6.111 -8.784 1.00 45.05 C ATOM 1823 O VAL B 17 -5.434 -6.515 -8.722 1.00 31.41 O ATOM 1824 CB VAL B 17 -7.481 -4.648 -6.877 1.00 0.22 C ATOM 1825 CG1 VAL B 17 -8.073 -4.666 -5.446 1.00 1.50 C ATOM 1826 CG2 VAL B 17 -6.087 -3.982 -6.896 1.00 71.02 C ATOM 0 H VAL B 17 -6.096 -7.026 -6.262 1.00 45.21 H new ATOM 0 HA VAL B 17 -8.509 -6.311 -7.815 1.00 71.42 H new ATOM 0 HB VAL B 17 -8.133 -4.035 -7.499 1.00 0.22 H new ATOM 0 HG11 VAL B 17 -8.056 -3.658 -5.033 1.00 1.50 H new ATOM 0 HG12 VAL B 17 -9.101 -5.026 -5.482 1.00 1.50 H new ATOM 0 HG13 VAL B 17 -7.479 -5.327 -4.815 1.00 1.50 H new ATOM 0 HG21 VAL B 17 -6.148 -2.997 -6.434 1.00 71.02 H new ATOM 0 HG22 VAL B 17 -5.381 -4.600 -6.341 1.00 71.02 H new ATOM 0 HG23 VAL B 17 -5.747 -3.879 -7.926 1.00 71.02 H new ATOM 1836 N ARG B 18 -7.144 -5.696 -9.921 1.00 63.10 N ATOM 1837 CA ARG B 18 -6.363 -5.410 -11.138 1.00 51.33 C ATOM 1838 C ARG B 18 -6.188 -3.889 -11.228 1.00 1.11 C ATOM 1839 O ARG B 18 -7.179 -3.141 -11.258 1.00 62.21 O ATOM 1840 CB ARG B 18 -7.026 -6.045 -12.387 1.00 43.22 C ATOM 1841 CG ARG B 18 -8.502 -5.685 -12.642 1.00 72.54 C ATOM 1842 CD ARG B 18 -9.140 -6.600 -13.706 1.00 51.45 C ATOM 1843 NE ARG B 18 -8.434 -6.558 -15.012 1.00 35.44 N ATOM 1844 CZ ARG B 18 -9.026 -6.493 -16.217 1.00 44.21 C ATOM 1845 NH1 ARG B 18 -10.354 -6.445 -16.327 1.00 2.42 N ATOM 1846 NH2 ARG B 18 -8.280 -6.496 -17.309 1.00 54.32 N ATOM 0 H ARG B 18 -8.147 -5.546 -10.032 1.00 63.10 H new ATOM 0 HA ARG B 18 -5.374 -5.865 -11.092 1.00 51.33 H new ATOM 0 HB2 ARG B 18 -6.448 -5.755 -13.264 1.00 43.22 H new ATOM 0 HB3 ARG B 18 -6.950 -7.129 -12.299 1.00 43.22 H new ATOM 0 HG2 ARG B 18 -9.062 -5.766 -11.710 1.00 72.54 H new ATOM 0 HG3 ARG B 18 -8.572 -4.647 -12.967 1.00 72.54 H new ATOM 0 HD2 ARG B 18 -9.147 -7.626 -13.337 1.00 51.45 H new ATOM 0 HD3 ARG B 18 -10.179 -6.306 -13.852 1.00 51.45 H new ATOM 0 HE ARG B 18 -7.414 -6.580 -14.993 1.00 35.44 H new ATOM 0 HH11 ARG B 18 -10.936 -6.457 -15.489 1.00 2.42 H new ATOM 0 HH12 ARG B 18 -10.788 -6.396 -17.249 1.00 2.42 H new ATOM 0 HH21 ARG B 18 -7.264 -6.547 -17.233 1.00 54.32 H new ATOM 0 HH22 ARG B 18 -8.720 -6.447 -18.228 1.00 54.32 H new ATOM 1860 N ASN B 19 -4.911 -3.443 -11.225 1.00 10.40 N ATOM 1861 CA ASN B 19 -4.537 -2.060 -10.904 1.00 34.32 C ATOM 1862 C ASN B 19 -4.885 -1.063 -12.030 1.00 54.42 C ATOM 1863 O ASN B 19 -4.112 -0.811 -12.962 1.00 12.42 O ATOM 1864 CB ASN B 19 -3.045 -1.957 -10.446 1.00 31.14 C ATOM 1865 CG ASN B 19 -1.993 -2.426 -11.462 1.00 62.35 C ATOM 1866 OD1 ASN B 19 -2.245 -3.286 -12.307 1.00 31.14 O ATOM 1867 ND2 ASN B 19 -0.791 -1.868 -11.356 1.00 51.23 N ATOM 0 H ASN B 19 -4.114 -4.039 -11.447 1.00 10.40 H new ATOM 0 HA ASN B 19 -5.151 -1.761 -10.054 1.00 34.32 H new ATOM 0 HB2 ASN B 19 -2.836 -0.918 -10.190 1.00 31.14 H new ATOM 0 HB3 ASN B 19 -2.925 -2.541 -9.533 1.00 31.14 H new ATOM 0 HD21 ASN B 19 -0.041 -2.149 -11.987 1.00 51.23 H new ATOM 0 HD22 ASN B 19 -0.619 -1.159 -10.644 1.00 51.23 H new ATOM 1874 N HIS B 20 -6.119 -0.552 -11.935 1.00 14.01 N ATOM 1875 CA HIS B 20 -6.586 0.637 -12.674 1.00 44.33 C ATOM 1876 C HIS B 20 -5.980 1.908 -11.977 1.00 23.41 C ATOM 1877 O HIS B 20 -5.395 1.761 -10.884 1.00 74.23 O ATOM 1878 CB HIS B 20 -8.151 0.652 -12.680 1.00 14.42 C ATOM 1879 CG HIS B 20 -8.808 -0.635 -13.137 1.00 25.10 C ATOM 1880 ND1 HIS B 20 -10.054 -1.030 -12.698 1.00 73.24 N ATOM 1881 CD2 HIS B 20 -8.397 -1.606 -13.996 1.00 61.12 C ATOM 1882 CE1 HIS B 20 -10.377 -2.178 -13.259 1.00 32.51 C ATOM 1883 NE2 HIS B 20 -9.393 -2.550 -14.052 1.00 74.33 N ATOM 0 H HIS B 20 -6.836 -0.957 -11.333 1.00 14.01 H new ATOM 0 HA HIS B 20 -6.257 0.623 -13.713 1.00 44.33 H new ATOM 0 HB2 HIS B 20 -8.500 0.881 -11.673 1.00 14.42 H new ATOM 0 HB3 HIS B 20 -8.488 1.462 -13.326 1.00 14.42 H new ATOM 0 HD2 HIS B 20 -7.461 -1.630 -14.534 1.00 61.12 H new ATOM 0 HE1 HIS B 20 -11.295 -2.723 -13.096 1.00 32.51 H new ATOM 0 HE2 HIS B 20 -9.374 -3.400 -14.615 1.00 74.33 H new ATOM 1892 N PRO B 21 -6.048 3.150 -12.591 1.00 42.33 N ATOM 1893 CA PRO B 21 -5.448 4.397 -12.000 1.00 43.02 C ATOM 1894 C PRO B 21 -5.734 4.623 -10.488 1.00 12.40 C ATOM 1895 O PRO B 21 -6.839 5.028 -10.111 1.00 21.10 O ATOM 1896 CB PRO B 21 -6.060 5.520 -12.868 1.00 72.13 C ATOM 1897 CG PRO B 21 -6.253 4.882 -14.215 1.00 40.54 C ATOM 1898 CD PRO B 21 -6.652 3.443 -13.935 1.00 55.01 C ATOM 0 HA PRO B 21 -4.359 4.349 -12.020 1.00 43.02 H new ATOM 0 HB2 PRO B 21 -7.005 5.872 -12.455 1.00 72.13 H new ATOM 0 HB3 PRO B 21 -5.397 6.383 -12.928 1.00 72.13 H new ATOM 0 HG2 PRO B 21 -7.025 5.398 -14.786 1.00 40.54 H new ATOM 0 HG3 PRO B 21 -5.337 4.927 -14.804 1.00 40.54 H new ATOM 0 HD2 PRO B 21 -7.736 3.326 -13.919 1.00 55.01 H new ATOM 0 HD3 PRO B 21 -6.269 2.767 -14.700 1.00 55.01 H new ATOM 1906 N GLY B 22 -4.723 4.286 -9.653 1.00 25.15 N ATOM 1907 CA GLY B 22 -4.727 4.554 -8.211 1.00 2.53 C ATOM 1908 C GLY B 22 -5.861 3.876 -7.438 1.00 62.24 C ATOM 1909 O GLY B 22 -6.524 4.512 -6.625 1.00 10.45 O ATOM 0 H GLY B 22 -3.877 3.816 -9.973 1.00 25.15 H new ATOM 0 HA2 GLY B 22 -3.775 4.229 -7.792 1.00 2.53 H new ATOM 0 HA3 GLY B 22 -4.793 5.631 -8.055 1.00 2.53 H new ATOM 1913 N VAL B 23 -6.075 2.581 -7.703 1.00 41.30 N ATOM 1914 CA VAL B 23 -7.100 1.761 -7.007 1.00 41.22 C ATOM 1915 C VAL B 23 -6.751 1.507 -5.528 1.00 63.33 C ATOM 1916 O VAL B 23 -7.626 1.171 -4.734 1.00 44.24 O ATOM 1917 CB VAL B 23 -7.368 0.407 -7.742 1.00 63.21 C ATOM 1918 CG1 VAL B 23 -7.997 0.678 -9.118 1.00 24.21 C ATOM 1919 CG2 VAL B 23 -6.083 -0.449 -7.863 1.00 73.45 C ATOM 0 H VAL B 23 -5.547 2.063 -8.405 1.00 41.30 H new ATOM 0 HA VAL B 23 -8.017 2.350 -7.033 1.00 41.22 H new ATOM 0 HB VAL B 23 -8.071 -0.174 -7.145 1.00 63.21 H new ATOM 0 HG11 VAL B 23 -8.182 -0.268 -9.626 1.00 24.21 H new ATOM 0 HG12 VAL B 23 -8.939 1.211 -8.989 1.00 24.21 H new ATOM 0 HG13 VAL B 23 -7.317 1.284 -9.716 1.00 24.21 H new ATOM 0 HG21 VAL B 23 -6.314 -1.381 -8.380 1.00 73.45 H new ATOM 0 HG22 VAL B 23 -5.331 0.102 -8.427 1.00 73.45 H new ATOM 0 HG23 VAL B 23 -5.699 -0.672 -6.867 1.00 73.45 H new ATOM 1929 N MET B 24 -5.455 1.598 -5.191 1.00 42.25 N ATOM 1930 CA MET B 24 -4.959 1.427 -3.808 1.00 44.43 C ATOM 1931 C MET B 24 -5.589 2.461 -2.838 1.00 32.10 C ATOM 1932 O MET B 24 -5.660 2.214 -1.632 1.00 42.25 O ATOM 1933 CB MET B 24 -3.414 1.484 -3.748 1.00 71.13 C ATOM 1934 CG MET B 24 -2.703 0.462 -4.651 1.00 50.30 C ATOM 1935 SD MET B 24 -2.875 0.828 -6.414 1.00 14.42 S ATOM 1936 CE MET B 24 -1.939 -0.518 -7.146 1.00 4.25 C ATOM 0 H MET B 24 -4.717 1.792 -5.868 1.00 42.25 H new ATOM 0 HA MET B 24 -5.270 0.435 -3.480 1.00 44.43 H new ATOM 0 HB2 MET B 24 -3.089 2.486 -4.028 1.00 71.13 H new ATOM 0 HB3 MET B 24 -3.097 1.322 -2.718 1.00 71.13 H new ATOM 0 HG2 MET B 24 -1.644 0.434 -4.394 1.00 50.30 H new ATOM 0 HG3 MET B 24 -3.105 -0.531 -4.452 1.00 50.30 H new ATOM 0 HE1 MET B 24 -1.820 -0.339 -8.215 1.00 4.25 H new ATOM 0 HE2 MET B 24 -0.957 -0.576 -6.676 1.00 4.25 H new ATOM 0 HE3 MET B 24 -2.471 -1.457 -6.992 1.00 4.25 H new ATOM 1946 N THR B 25 -6.015 3.629 -3.370 1.00 13.31 N ATOM 1947 CA THR B 25 -6.753 4.642 -2.578 1.00 71.02 C ATOM 1948 C THR B 25 -8.113 4.096 -2.085 1.00 13.43 C ATOM 1949 O THR B 25 -8.596 4.501 -1.022 1.00 64.21 O ATOM 1950 CB THR B 25 -6.991 5.966 -3.378 1.00 61.34 C ATOM 1951 OG1 THR B 25 -7.829 5.718 -4.522 1.00 40.11 O ATOM 1952 CG2 THR B 25 -5.662 6.589 -3.838 1.00 31.42 C ATOM 0 H THR B 25 -5.861 3.894 -4.343 1.00 13.31 H new ATOM 0 HA THR B 25 -6.121 4.867 -1.719 1.00 71.02 H new ATOM 0 HB THR B 25 -7.489 6.669 -2.710 1.00 61.34 H new ATOM 0 HG1 THR B 25 -7.327 5.206 -5.190 1.00 40.11 H new ATOM 0 HG21 THR B 25 -5.862 7.507 -4.391 1.00 31.42 H new ATOM 0 HG22 THR B 25 -5.046 6.816 -2.968 1.00 31.42 H new ATOM 0 HG23 THR B 25 -5.134 5.886 -4.482 1.00 31.42 H new ATOM 1960 N HIS B 26 -8.713 3.168 -2.881 1.00 64.42 N ATOM 1961 CA HIS B 26 -9.980 2.488 -2.525 1.00 43.03 C ATOM 1962 C HIS B 26 -9.775 1.640 -1.265 1.00 2.14 C ATOM 1963 O HIS B 26 -10.487 1.808 -0.280 1.00 41.23 O ATOM 1964 CB HIS B 26 -10.494 1.555 -3.672 1.00 42.34 C ATOM 1965 CG HIS B 26 -10.757 2.208 -5.002 1.00 43.22 C ATOM 1966 ND1 HIS B 26 -11.003 1.479 -6.146 1.00 75.31 N ATOM 1967 CD2 HIS B 26 -10.837 3.508 -5.371 1.00 11.30 C ATOM 1968 CE1 HIS B 26 -11.222 2.298 -7.149 1.00 12.25 C ATOM 1969 NE2 HIS B 26 -11.127 3.535 -6.708 1.00 74.54 N ATOM 0 H HIS B 26 -8.331 2.875 -3.780 1.00 64.42 H new ATOM 0 HA HIS B 26 -10.724 3.266 -2.355 1.00 43.03 H new ATOM 0 HB2 HIS B 26 -9.761 0.762 -3.820 1.00 42.34 H new ATOM 0 HB3 HIS B 26 -11.416 1.079 -3.337 1.00 42.34 H new ATOM 0 HD2 HIS B 26 -10.698 4.365 -4.729 1.00 11.30 H new ATOM 0 HE1 HIS B 26 -11.443 2.006 -8.165 1.00 12.25 H new ATOM 0 HE2 HIS B 26 -11.250 4.376 -7.271 1.00 74.54 H new ATOM 1978 N VAL B 27 -8.752 0.759 -1.314 1.00 22.04 N ATOM 1979 CA VAL B 27 -8.507 -0.247 -0.266 1.00 10.35 C ATOM 1980 C VAL B 27 -8.032 0.416 1.049 1.00 52.15 C ATOM 1981 O VAL B 27 -8.489 0.043 2.131 1.00 12.12 O ATOM 1982 CB VAL B 27 -7.500 -1.362 -0.753 1.00 72.05 C ATOM 1983 CG1 VAL B 27 -7.991 -2.036 -2.056 1.00 15.30 C ATOM 1984 CG2 VAL B 27 -6.064 -0.828 -0.934 1.00 15.10 C ATOM 0 H VAL B 27 -8.078 0.728 -2.079 1.00 22.04 H new ATOM 0 HA VAL B 27 -9.456 -0.741 -0.059 1.00 10.35 H new ATOM 0 HB VAL B 27 -7.471 -2.111 0.038 1.00 72.05 H new ATOM 0 HG11 VAL B 27 -7.275 -2.798 -2.364 1.00 15.30 H new ATOM 0 HG12 VAL B 27 -8.962 -2.499 -1.882 1.00 15.30 H new ATOM 0 HG13 VAL B 27 -8.082 -1.286 -2.842 1.00 15.30 H new ATOM 0 HG21 VAL B 27 -5.415 -1.637 -1.270 1.00 15.10 H new ATOM 0 HG22 VAL B 27 -6.063 -0.030 -1.677 1.00 15.10 H new ATOM 0 HG23 VAL B 27 -5.698 -0.439 0.016 1.00 15.10 H new ATOM 1994 N CYS B 28 -7.146 1.429 0.928 1.00 53.41 N ATOM 1995 CA CYS B 28 -6.634 2.183 2.075 1.00 4.01 C ATOM 1996 C CYS B 28 -7.757 3.001 2.709 1.00 22.21 C ATOM 1997 O CYS B 28 -7.953 2.946 3.925 1.00 52.35 O ATOM 1998 CB CYS B 28 -5.486 3.120 1.651 1.00 12.24 C ATOM 1999 SG CYS B 28 -4.959 4.255 2.957 1.00 43.10 S ATOM 0 H CYS B 28 -6.772 1.740 0.032 1.00 53.41 H new ATOM 0 HA CYS B 28 -6.249 1.470 2.804 1.00 4.01 H new ATOM 0 HB2 CYS B 28 -4.633 2.518 1.338 1.00 12.24 H new ATOM 0 HB3 CYS B 28 -5.802 3.699 0.783 1.00 12.24 H new ATOM 0 HG CYS B 28 -4.077 3.669 3.711 1.00 43.10 H new ATOM 2005 N GLY B 29 -8.500 3.726 1.853 1.00 60.25 N ATOM 2006 CA GLY B 29 -9.551 4.635 2.297 1.00 2.32 C ATOM 2007 C GLY B 29 -10.705 3.922 2.983 1.00 2.41 C ATOM 2008 O GLY B 29 -11.188 4.395 4.002 1.00 44.12 O ATOM 0 H GLY B 29 -8.383 3.693 0.840 1.00 60.25 H new ATOM 0 HA2 GLY B 29 -9.124 5.367 2.983 1.00 2.32 H new ATOM 0 HA3 GLY B 29 -9.932 5.188 1.438 1.00 2.32 H new ATOM 2012 N LEU B 30 -11.088 2.749 2.446 1.00 25.44 N ATOM 2013 CA LEU B 30 -12.282 1.993 2.881 1.00 75.31 C ATOM 2014 C LEU B 30 -12.156 1.518 4.340 1.00 21.42 C ATOM 2015 O LEU B 30 -13.083 1.671 5.135 1.00 52.33 O ATOM 2016 CB LEU B 30 -12.551 0.783 1.913 1.00 3.33 C ATOM 2017 CG LEU B 30 -13.949 0.757 1.208 1.00 51.44 C ATOM 2018 CD1 LEU B 30 -15.102 0.625 2.222 1.00 40.41 C ATOM 2019 CD2 LEU B 30 -14.148 1.994 0.303 1.00 64.23 C ATOM 0 H LEU B 30 -10.575 2.294 1.691 1.00 25.44 H new ATOM 0 HA LEU B 30 -13.137 2.667 2.836 1.00 75.31 H new ATOM 0 HB2 LEU B 30 -11.779 0.782 1.143 1.00 3.33 H new ATOM 0 HB3 LEU B 30 -12.436 -0.141 2.480 1.00 3.33 H new ATOM 0 HG LEU B 30 -13.968 -0.130 0.574 1.00 51.44 H new ATOM 0 HD11 LEU B 30 -16.054 0.611 1.691 1.00 40.41 H new ATOM 0 HD12 LEU B 30 -14.987 -0.301 2.785 1.00 40.41 H new ATOM 0 HD13 LEU B 30 -15.082 1.472 2.908 1.00 40.41 H new ATOM 0 HD21 LEU B 30 -15.128 1.944 -0.171 1.00 64.23 H new ATOM 0 HD22 LEU B 30 -14.082 2.900 0.905 1.00 64.23 H new ATOM 0 HD23 LEU B 30 -13.374 2.011 -0.465 1.00 64.23 H new ATOM 2031 N PHE B 31 -11.010 0.915 4.666 1.00 43.25 N ATOM 2032 CA PHE B 31 -10.780 0.316 5.993 1.00 40.21 C ATOM 2033 C PHE B 31 -10.339 1.376 7.026 1.00 72.21 C ATOM 2034 O PHE B 31 -10.601 1.225 8.226 1.00 54.32 O ATOM 2035 CB PHE B 31 -9.788 -0.867 5.862 1.00 70.15 C ATOM 2036 CG PHE B 31 -10.248 -1.898 4.814 1.00 52.45 C ATOM 2037 CD1 PHE B 31 -11.566 -2.375 4.808 1.00 42.55 C ATOM 2038 CD2 PHE B 31 -9.390 -2.349 3.817 1.00 51.30 C ATOM 2039 CE1 PHE B 31 -11.993 -3.267 3.843 1.00 30.43 C ATOM 2040 CE2 PHE B 31 -9.822 -3.236 2.849 1.00 4.12 C ATOM 2041 CZ PHE B 31 -11.122 -3.697 2.863 1.00 5.11 C ATOM 0 H PHE B 31 -10.219 0.826 4.028 1.00 43.25 H new ATOM 0 HA PHE B 31 -11.718 -0.085 6.378 1.00 40.21 H new ATOM 0 HB2 PHE B 31 -8.805 -0.486 5.587 1.00 70.15 H new ATOM 0 HB3 PHE B 31 -9.680 -1.358 6.829 1.00 70.15 H new ATOM 0 HD1 PHE B 31 -12.257 -2.041 5.568 1.00 42.55 H new ATOM 0 HD2 PHE B 31 -8.368 -2.000 3.799 1.00 51.30 H new ATOM 0 HE1 PHE B 31 -13.011 -3.628 3.856 1.00 30.43 H new ATOM 0 HE2 PHE B 31 -9.140 -3.569 2.080 1.00 4.12 H new ATOM 0 HZ PHE B 31 -11.457 -4.393 2.108 1.00 5.11 H new ATOM 2051 N ALA B 32 -9.682 2.454 6.540 1.00 24.32 N ATOM 2052 CA ALA B 32 -9.258 3.592 7.384 1.00 51.24 C ATOM 2053 C ALA B 32 -10.460 4.449 7.832 1.00 12.15 C ATOM 2054 O ALA B 32 -10.489 4.938 8.970 1.00 23.42 O ATOM 2055 CB ALA B 32 -8.234 4.461 6.638 1.00 32.03 C ATOM 0 H ALA B 32 -9.432 2.558 5.557 1.00 24.32 H new ATOM 0 HA ALA B 32 -8.791 3.181 8.279 1.00 51.24 H new ATOM 0 HB1 ALA B 32 -7.932 5.294 7.273 1.00 32.03 H new ATOM 0 HB2 ALA B 32 -7.360 3.860 6.388 1.00 32.03 H new ATOM 0 HB3 ALA B 32 -8.682 4.847 5.722 1.00 32.03 H new ATOM 2061 N ARG B 33 -11.459 4.609 6.935 1.00 14.54 N ATOM 2062 CA ARG B 33 -12.638 5.479 7.179 1.00 53.33 C ATOM 2063 C ARG B 33 -13.634 4.834 8.154 1.00 31.45 C ATOM 2064 O ARG B 33 -14.617 5.478 8.546 1.00 54.32 O ATOM 2065 CB ARG B 33 -13.359 5.838 5.847 1.00 54.33 C ATOM 2066 CG ARG B 33 -14.130 4.667 5.183 1.00 23.23 C ATOM 2067 CD ARG B 33 -14.546 4.970 3.735 1.00 12.12 C ATOM 2068 NE ARG B 33 -15.463 6.117 3.645 1.00 62.32 N ATOM 2069 CZ ARG B 33 -15.771 6.776 2.517 1.00 62.25 C ATOM 2070 NH1 ARG B 33 -15.242 6.427 1.343 1.00 31.24 N ATOM 2071 NH2 ARG B 33 -16.618 7.785 2.571 1.00 24.43 N ATOM 0 H ARG B 33 -11.474 4.144 6.027 1.00 14.54 H new ATOM 0 HA ARG B 33 -12.262 6.395 7.634 1.00 53.33 H new ATOM 0 HB2 ARG B 33 -14.058 6.652 6.038 1.00 54.33 H new ATOM 0 HB3 ARG B 33 -12.619 6.213 5.140 1.00 54.33 H new ATOM 0 HG2 ARG B 33 -13.506 3.773 5.197 1.00 23.23 H new ATOM 0 HG3 ARG B 33 -15.019 4.444 5.772 1.00 23.23 H new ATOM 0 HD2 ARG B 33 -13.656 5.172 3.139 1.00 12.12 H new ATOM 0 HD3 ARG B 33 -15.025 4.090 3.305 1.00 12.12 H new ATOM 0 HE ARG B 33 -15.900 6.437 4.509 1.00 62.32 H new ATOM 0 HH11 ARG B 33 -14.589 5.645 1.290 1.00 31.24 H new ATOM 0 HH12 ARG B 33 -15.490 6.942 0.498 1.00 31.24 H new ATOM 0 HH21 ARG B 33 -17.031 8.057 3.463 1.00 24.43 H new ATOM 0 HH22 ARG B 33 -16.860 8.294 1.721 1.00 24.43 H new ATOM 2085 N ARG B 34 -13.394 3.559 8.516 1.00 70.54 N ATOM 2086 CA ARG B 34 -14.223 2.838 9.478 1.00 74.53 C ATOM 2087 C ARG B 34 -14.058 3.472 10.875 1.00 30.14 C ATOM 2088 O ARG B 34 -15.045 3.897 11.480 1.00 73.22 O ATOM 2089 CB ARG B 34 -13.816 1.350 9.521 1.00 55.12 C ATOM 2090 CG ARG B 34 -14.791 0.436 10.313 1.00 15.44 C ATOM 2091 CD ARG B 34 -14.075 -0.730 10.984 1.00 54.13 C ATOM 2092 NE ARG B 34 -13.169 -0.262 12.046 1.00 21.33 N ATOM 2093 CZ ARG B 34 -11.959 -0.762 12.313 1.00 60.43 C ATOM 2094 NH1 ARG B 34 -11.459 -1.771 11.611 1.00 14.41 N ATOM 2095 NH2 ARG B 34 -11.264 -0.260 13.297 1.00 51.51 N ATOM 0 H ARG B 34 -12.619 3.008 8.146 1.00 70.54 H new ATOM 0 HA ARG B 34 -15.267 2.904 9.173 1.00 74.53 H new ATOM 0 HB2 ARG B 34 -13.739 0.978 8.499 1.00 55.12 H new ATOM 0 HB3 ARG B 34 -12.823 1.271 9.964 1.00 55.12 H new ATOM 0 HG2 ARG B 34 -15.306 1.028 11.070 1.00 15.44 H new ATOM 0 HG3 ARG B 34 -15.554 0.050 9.637 1.00 15.44 H new ATOM 0 HD2 ARG B 34 -14.809 -1.416 11.406 1.00 54.13 H new ATOM 0 HD3 ARG B 34 -13.508 -1.288 10.239 1.00 54.13 H new ATOM 0 HE ARG B 34 -13.493 0.510 12.628 1.00 21.33 H new ATOM 0 HH11 ARG B 34 -12.001 -2.181 10.850 1.00 14.41 H new ATOM 0 HH12 ARG B 34 -10.533 -2.137 11.832 1.00 14.41 H new ATOM 0 HH21 ARG B 34 -11.646 0.506 13.853 1.00 51.51 H new ATOM 0 HH22 ARG B 34 -10.339 -0.633 13.511 1.00 51.51 H new ATOM 2109 N ALA B 35 -12.782 3.546 11.348 1.00 73.35 N ATOM 2110 CA ALA B 35 -12.427 4.160 12.647 1.00 45.30 C ATOM 2111 C ALA B 35 -10.898 4.182 12.853 1.00 42.03 C ATOM 2112 O ALA B 35 -10.326 5.223 13.196 1.00 43.30 O ATOM 2113 CB ALA B 35 -13.115 3.430 13.819 1.00 62.32 C ATOM 0 H ALA B 35 -11.978 3.181 10.837 1.00 73.35 H new ATOM 0 HA ALA B 35 -12.786 5.189 12.629 1.00 45.30 H new ATOM 0 HB1 ALA B 35 -12.834 3.905 14.759 1.00 62.32 H new ATOM 0 HB2 ALA B 35 -14.197 3.482 13.695 1.00 62.32 H new ATOM 0 HB3 ALA B 35 -12.801 2.386 13.832 1.00 62.32 H new ATOM 2119 N PHE B 36 -10.249 3.021 12.657 1.00 33.42 N ATOM 2120 CA PHE B 36 -8.794 2.858 12.872 1.00 52.12 C ATOM 2121 C PHE B 36 -8.040 3.016 11.539 1.00 1.33 C ATOM 2122 O PHE B 36 -8.522 2.564 10.494 1.00 52.21 O ATOM 2123 CB PHE B 36 -8.512 1.469 13.507 1.00 12.24 C ATOM 2124 CG PHE B 36 -7.041 1.153 13.820 1.00 21.40 C ATOM 2125 CD1 PHE B 36 -6.295 1.970 14.674 1.00 32.31 C ATOM 2126 CD2 PHE B 36 -6.406 0.035 13.263 1.00 32.32 C ATOM 2127 CE1 PHE B 36 -4.972 1.678 14.957 1.00 4.55 C ATOM 2128 CE2 PHE B 36 -5.086 -0.253 13.550 1.00 61.25 C ATOM 2129 CZ PHE B 36 -4.370 0.567 14.394 1.00 32.43 C ATOM 0 H PHE B 36 -10.714 2.168 12.346 1.00 33.42 H new ATOM 0 HA PHE B 36 -8.440 3.631 13.555 1.00 52.12 H new ATOM 0 HB2 PHE B 36 -9.083 1.393 14.432 1.00 12.24 H new ATOM 0 HB3 PHE B 36 -8.892 0.701 12.834 1.00 12.24 H new ATOM 0 HD1 PHE B 36 -6.756 2.840 15.118 1.00 32.31 H new ATOM 0 HD2 PHE B 36 -6.958 -0.613 12.598 1.00 32.32 H new ATOM 0 HE1 PHE B 36 -4.408 2.319 15.619 1.00 4.55 H new ATOM 0 HE2 PHE B 36 -4.615 -1.121 13.113 1.00 61.25 H new ATOM 0 HZ PHE B 36 -3.337 0.342 14.616 1.00 32.43 H new ATOM 2139 N ASN B 37 -6.856 3.657 11.603 1.00 73.23 N ATOM 2140 CA ASN B 37 -5.970 3.856 10.438 1.00 40.44 C ATOM 2141 C ASN B 37 -5.305 2.524 10.062 1.00 14.41 C ATOM 2142 O ASN B 37 -5.117 1.661 10.924 1.00 14.01 O ATOM 2143 CB ASN B 37 -4.867 4.918 10.742 1.00 35.20 C ATOM 2144 CG ASN B 37 -5.411 6.238 11.297 1.00 21.12 C ATOM 2145 OD1 ASN B 37 -6.573 6.591 11.095 1.00 14.54 O ATOM 2146 ND2 ASN B 37 -4.558 6.999 11.968 1.00 60.31 N ATOM 0 H ASN B 37 -6.486 4.053 12.467 1.00 73.23 H new ATOM 0 HA ASN B 37 -6.577 4.218 9.608 1.00 40.44 H new ATOM 0 HB2 ASN B 37 -4.160 4.498 11.458 1.00 35.20 H new ATOM 0 HB3 ASN B 37 -4.311 5.122 9.827 1.00 35.20 H new ATOM 0 HD21 ASN B 37 -4.859 7.903 12.332 1.00 60.31 H new ATOM 0 HD22 ASN B 37 -3.601 6.680 12.120 1.00 60.31 H new ATOM 2153 N VAL B 38 -4.946 2.371 8.779 1.00 51.04 N ATOM 2154 CA VAL B 38 -4.252 1.170 8.286 1.00 23.12 C ATOM 2155 C VAL B 38 -2.858 1.046 8.955 1.00 53.32 C ATOM 2156 O VAL B 38 -2.071 2.000 8.946 1.00 63.41 O ATOM 2157 CB VAL B 38 -4.090 1.189 6.720 1.00 10.32 C ATOM 2158 CG1 VAL B 38 -3.298 -0.048 6.232 1.00 45.22 C ATOM 2159 CG2 VAL B 38 -5.463 1.286 6.001 1.00 24.10 C ATOM 0 H VAL B 38 -5.126 3.070 8.058 1.00 51.04 H new ATOM 0 HA VAL B 38 -4.864 0.307 8.550 1.00 23.12 H new ATOM 0 HB VAL B 38 -3.522 2.083 6.462 1.00 10.32 H new ATOM 0 HG11 VAL B 38 -3.199 -0.012 5.147 1.00 45.22 H new ATOM 0 HG12 VAL B 38 -2.307 -0.048 6.687 1.00 45.22 H new ATOM 0 HG13 VAL B 38 -3.829 -0.956 6.518 1.00 45.22 H new ATOM 0 HG21 VAL B 38 -5.309 1.297 4.922 1.00 24.10 H new ATOM 0 HG22 VAL B 38 -6.077 0.427 6.271 1.00 24.10 H new ATOM 0 HG23 VAL B 38 -5.969 2.203 6.304 1.00 24.10 H new ATOM 2169 N GLU B 39 -2.597 -0.123 9.555 1.00 13.13 N ATOM 2170 CA GLU B 39 -1.308 -0.462 10.184 1.00 41.01 C ATOM 2171 C GLU B 39 -0.239 -0.780 9.108 1.00 74.10 C ATOM 2172 O GLU B 39 0.875 -0.250 9.152 1.00 61.35 O ATOM 2173 CB GLU B 39 -1.493 -1.684 11.123 1.00 60.40 C ATOM 2174 CG GLU B 39 -0.195 -2.192 11.796 1.00 54.42 C ATOM 2175 CD GLU B 39 -0.333 -3.597 12.399 1.00 61.20 C ATOM 2176 OE1 GLU B 39 -0.532 -4.548 11.624 1.00 2.31 O ATOM 2177 OE2 GLU B 39 -0.223 -3.752 13.627 1.00 41.14 O ATOM 0 H GLU B 39 -3.285 -0.873 9.619 1.00 13.13 H new ATOM 0 HA GLU B 39 -0.966 0.395 10.764 1.00 41.01 H new ATOM 0 HB2 GLU B 39 -2.209 -1.420 11.901 1.00 60.40 H new ATOM 0 HB3 GLU B 39 -1.931 -2.501 10.550 1.00 60.40 H new ATOM 0 HG2 GLU B 39 0.609 -2.197 11.060 1.00 54.42 H new ATOM 0 HG3 GLU B 39 0.096 -1.494 12.581 1.00 54.42 H new ATOM 2184 N GLY B 40 -0.597 -1.649 8.148 1.00 12.02 N ATOM 2185 CA GLY B 40 0.358 -2.163 7.156 1.00 35.40 C ATOM 2186 C GLY B 40 -0.306 -2.492 5.831 1.00 65.10 C ATOM 2187 O GLY B 40 -1.500 -2.746 5.782 1.00 33.45 O ATOM 0 H GLY B 40 -1.545 -2.010 8.039 1.00 12.02 H new ATOM 0 HA2 GLY B 40 1.142 -1.423 6.993 1.00 35.40 H new ATOM 0 HA3 GLY B 40 0.841 -3.058 7.550 1.00 35.40 H new ATOM 2191 N ILE B 41 0.468 -2.436 4.738 1.00 31.24 N ATOM 2192 CA ILE B 41 0.007 -2.780 3.372 1.00 33.41 C ATOM 2193 C ILE B 41 1.075 -3.655 2.693 1.00 3.23 C ATOM 2194 O ILE B 41 2.267 -3.522 2.981 1.00 52.22 O ATOM 2195 CB ILE B 41 -0.267 -1.489 2.485 1.00 52.31 C ATOM 2196 CG1 ILE B 41 -1.386 -0.600 3.109 1.00 14.04 C ATOM 2197 CG2 ILE B 41 -0.610 -1.848 1.019 1.00 52.15 C ATOM 2198 CD1 ILE B 41 -1.803 0.599 2.272 1.00 0.30 C ATOM 0 H ILE B 41 1.446 -2.148 4.771 1.00 31.24 H new ATOM 0 HA ILE B 41 -0.937 -3.318 3.460 1.00 33.41 H new ATOM 0 HB ILE B 41 0.660 -0.916 2.472 1.00 52.31 H new ATOM 0 HG12 ILE B 41 -2.264 -1.221 3.288 1.00 14.04 H new ATOM 0 HG13 ILE B 41 -1.045 -0.243 4.081 1.00 14.04 H new ATOM 0 HG21 ILE B 41 -0.789 -0.934 0.453 1.00 52.15 H new ATOM 0 HG22 ILE B 41 0.222 -2.394 0.574 1.00 52.15 H new ATOM 0 HG23 ILE B 41 -1.505 -2.470 0.997 1.00 52.15 H new ATOM 0 HD11 ILE B 41 -2.585 1.152 2.793 1.00 0.30 H new ATOM 0 HD12 ILE B 41 -0.943 1.249 2.114 1.00 0.30 H new ATOM 0 HD13 ILE B 41 -2.181 0.257 1.309 1.00 0.30 H new ATOM 2210 N LEU B 42 0.636 -4.548 1.803 1.00 44.02 N ATOM 2211 CA LEU B 42 1.520 -5.319 0.931 1.00 61.24 C ATOM 2212 C LEU B 42 0.822 -5.511 -0.422 1.00 3.52 C ATOM 2213 O LEU B 42 -0.057 -6.335 -0.548 1.00 50.04 O ATOM 2214 CB LEU B 42 1.894 -6.670 1.603 1.00 52.25 C ATOM 2215 CG LEU B 42 2.830 -7.632 0.793 1.00 55.14 C ATOM 2216 CD1 LEU B 42 4.057 -6.893 0.238 1.00 23.42 C ATOM 2217 CD2 LEU B 42 3.251 -8.833 1.663 1.00 71.24 C ATOM 0 H LEU B 42 -0.353 -4.757 1.667 1.00 44.02 H new ATOM 0 HA LEU B 42 2.456 -4.786 0.763 1.00 61.24 H new ATOM 0 HB2 LEU B 42 2.375 -6.452 2.557 1.00 52.25 H new ATOM 0 HB3 LEU B 42 0.971 -7.204 1.827 1.00 52.25 H new ATOM 0 HG LEU B 42 2.266 -8.007 -0.061 1.00 55.14 H new ATOM 0 HD11 LEU B 42 4.682 -7.592 -0.317 1.00 23.42 H new ATOM 0 HD12 LEU B 42 3.730 -6.092 -0.426 1.00 23.42 H new ATOM 0 HD13 LEU B 42 4.630 -6.469 1.063 1.00 23.42 H new ATOM 0 HD21 LEU B 42 3.900 -9.491 1.085 1.00 71.24 H new ATOM 0 HD22 LEU B 42 3.786 -8.475 2.542 1.00 71.24 H new ATOM 0 HD23 LEU B 42 2.364 -9.383 1.977 1.00 71.24 H new ATOM 2229 N CYS B 43 1.169 -4.677 -1.402 1.00 61.44 N ATOM 2230 CA CYS B 43 0.682 -4.797 -2.785 1.00 52.45 C ATOM 2231 C CYS B 43 1.721 -5.570 -3.608 1.00 4.34 C ATOM 2232 O CYS B 43 2.757 -5.017 -3.998 1.00 44.32 O ATOM 2233 CB CYS B 43 0.416 -3.393 -3.366 1.00 52.22 C ATOM 2234 SG CYS B 43 -0.142 -3.339 -5.081 1.00 61.51 S ATOM 0 H CYS B 43 1.802 -3.890 -1.261 1.00 61.44 H new ATOM 0 HA CYS B 43 -0.259 -5.346 -2.815 1.00 52.45 H new ATOM 0 HB2 CYS B 43 -0.333 -2.901 -2.745 1.00 52.22 H new ATOM 0 HB3 CYS B 43 1.332 -2.808 -3.284 1.00 52.22 H new ATOM 0 HG CYS B 43 -0.406 -4.545 -5.490 1.00 61.51 H new ATOM 2240 N LEU B 44 1.459 -6.871 -3.799 1.00 52.33 N ATOM 2241 CA LEU B 44 2.330 -7.794 -4.546 1.00 73.21 C ATOM 2242 C LEU B 44 1.784 -7.928 -5.985 1.00 5.25 C ATOM 2243 O LEU B 44 0.725 -8.559 -6.173 1.00 14.42 O ATOM 2244 CB LEU B 44 2.347 -9.175 -3.843 1.00 55.20 C ATOM 2245 CG LEU B 44 3.441 -10.203 -4.283 1.00 20.35 C ATOM 2246 CD1 LEU B 44 4.829 -9.791 -3.761 1.00 25.20 C ATOM 2247 CD2 LEU B 44 3.083 -11.626 -3.814 1.00 44.35 C ATOM 0 H LEU B 44 0.620 -7.321 -3.432 1.00 52.33 H new ATOM 0 HA LEU B 44 3.350 -7.411 -4.578 1.00 73.21 H new ATOM 0 HB2 LEU B 44 2.459 -9.005 -2.772 1.00 55.20 H new ATOM 0 HB3 LEU B 44 1.372 -9.639 -3.992 1.00 55.20 H new ATOM 0 HG LEU B 44 3.476 -10.204 -5.372 1.00 20.35 H new ATOM 0 HD11 LEU B 44 5.570 -10.523 -4.081 1.00 25.20 H new ATOM 0 HD12 LEU B 44 5.091 -8.811 -4.159 1.00 25.20 H new ATOM 0 HD13 LEU B 44 4.810 -9.747 -2.672 1.00 25.20 H new ATOM 0 HD21 LEU B 44 3.860 -12.321 -4.133 1.00 44.35 H new ATOM 0 HD22 LEU B 44 3.006 -11.642 -2.727 1.00 44.35 H new ATOM 0 HD23 LEU B 44 2.129 -11.924 -4.250 1.00 44.35 H new ATOM 2259 N PRO B 45 2.450 -7.300 -7.007 1.00 2.12 N ATOM 2260 CA PRO B 45 2.013 -7.398 -8.421 1.00 13.24 C ATOM 2261 C PRO B 45 2.191 -8.831 -8.965 1.00 63.13 C ATOM 2262 O PRO B 45 3.313 -9.338 -9.014 1.00 75.31 O ATOM 2263 CB PRO B 45 2.923 -6.379 -9.158 1.00 54.24 C ATOM 2264 CG PRO B 45 4.147 -6.251 -8.288 1.00 74.53 C ATOM 2265 CD PRO B 45 3.663 -6.435 -6.863 1.00 21.11 C ATOM 0 HA PRO B 45 0.954 -7.179 -8.555 1.00 13.24 H new ATOM 0 HB2 PRO B 45 3.183 -6.731 -10.156 1.00 54.24 H new ATOM 0 HB3 PRO B 45 2.423 -5.418 -9.280 1.00 54.24 H new ATOM 0 HG2 PRO B 45 4.892 -7.003 -8.548 1.00 74.53 H new ATOM 0 HG3 PRO B 45 4.619 -5.277 -8.418 1.00 74.53 H new ATOM 0 HD2 PRO B 45 4.422 -6.910 -6.241 1.00 21.11 H new ATOM 0 HD3 PRO B 45 3.420 -5.480 -6.396 1.00 21.11 H new ATOM 2273 N ILE B 46 1.073 -9.460 -9.346 1.00 52.13 N ATOM 2274 CA ILE B 46 1.043 -10.845 -9.833 1.00 24.10 C ATOM 2275 C ILE B 46 1.754 -10.959 -11.201 1.00 32.25 C ATOM 2276 O ILE B 46 1.401 -10.249 -12.146 1.00 12.40 O ATOM 2277 CB ILE B 46 -0.439 -11.376 -9.933 1.00 71.25 C ATOM 2278 CG1 ILE B 46 -1.168 -11.249 -8.552 1.00 30.25 C ATOM 2279 CG2 ILE B 46 -0.490 -12.834 -10.451 1.00 12.12 C ATOM 2280 CD1 ILE B 46 -0.505 -11.985 -7.394 1.00 74.55 C ATOM 0 H ILE B 46 0.154 -9.018 -9.325 1.00 52.13 H new ATOM 0 HA ILE B 46 1.578 -11.466 -9.114 1.00 24.10 H new ATOM 0 HB ILE B 46 -0.963 -10.753 -10.658 1.00 71.25 H new ATOM 0 HG12 ILE B 46 -1.241 -10.192 -8.295 1.00 30.25 H new ATOM 0 HG13 ILE B 46 -2.186 -11.622 -8.662 1.00 30.25 H new ATOM 0 HG21 ILE B 46 -1.527 -13.164 -10.506 1.00 12.12 H new ATOM 0 HG22 ILE B 46 -0.040 -12.884 -11.443 1.00 12.12 H new ATOM 0 HG23 ILE B 46 0.061 -13.482 -9.769 1.00 12.12 H new ATOM 0 HD11 ILE B 46 -1.088 -11.833 -6.485 1.00 74.55 H new ATOM 0 HD12 ILE B 46 -0.456 -13.050 -7.620 1.00 74.55 H new ATOM 0 HD13 ILE B 46 0.504 -11.599 -7.247 1.00 74.55 H new ATOM 2292 N GLN B 47 2.750 -11.863 -11.288 1.00 14.01 N ATOM 2293 CA GLN B 47 3.568 -12.062 -12.509 1.00 33.51 C ATOM 2294 C GLN B 47 2.773 -12.798 -13.606 1.00 54.13 C ATOM 2295 O GLN B 47 3.099 -12.696 -14.793 1.00 40.24 O ATOM 2296 CB GLN B 47 4.849 -12.870 -12.158 1.00 20.11 C ATOM 2297 CG GLN B 47 4.587 -14.340 -11.764 1.00 33.41 C ATOM 2298 CD GLN B 47 5.812 -15.054 -11.223 1.00 23.21 C ATOM 2299 OE1 GLN B 47 6.591 -15.633 -11.972 1.00 71.33 O ATOM 2300 NE2 GLN B 47 5.984 -15.022 -9.918 1.00 30.34 N ATOM 0 H GLN B 47 3.013 -12.477 -10.517 1.00 14.01 H new ATOM 0 HA GLN B 47 3.845 -11.080 -12.893 1.00 33.51 H new ATOM 0 HB2 GLN B 47 5.522 -12.851 -13.015 1.00 20.11 H new ATOM 0 HB3 GLN B 47 5.364 -12.372 -11.336 1.00 20.11 H new ATOM 0 HG2 GLN B 47 3.798 -14.370 -11.012 1.00 33.41 H new ATOM 0 HG3 GLN B 47 4.218 -14.880 -12.636 1.00 33.41 H new ATOM 0 HE21 GLN B 47 5.314 -14.530 -9.327 1.00 30.34 H new ATOM 0 HE22 GLN B 47 6.787 -15.489 -9.498 1.00 30.34 H new ATOM 2309 N ASP B 48 1.744 -13.551 -13.172 1.00 24.33 N ATOM 2310 CA ASP B 48 0.930 -14.416 -14.042 1.00 63.13 C ATOM 2311 C ASP B 48 0.070 -13.590 -15.024 1.00 61.43 C ATOM 2312 O ASP B 48 -0.029 -13.926 -16.212 1.00 5.52 O ATOM 2313 CB ASP B 48 0.037 -15.335 -13.153 1.00 30.55 C ATOM 2314 CG ASP B 48 -0.986 -16.170 -13.943 1.00 32.33 C ATOM 2315 OD1 ASP B 48 -0.624 -17.237 -14.471 1.00 51.12 O ATOM 2316 OD2 ASP B 48 -2.158 -15.760 -14.048 1.00 11.45 O ATOM 0 H ASP B 48 1.453 -13.575 -12.195 1.00 24.33 H new ATOM 0 HA ASP B 48 1.595 -15.031 -14.648 1.00 63.13 H new ATOM 0 HB2 ASP B 48 0.679 -16.009 -12.585 1.00 30.55 H new ATOM 0 HB3 ASP B 48 -0.495 -14.717 -12.430 1.00 30.55 H new ATOM 2321 N SER B 49 -0.508 -12.490 -14.524 1.00 53.40 N ATOM 2322 CA SER B 49 -1.482 -11.670 -15.272 1.00 22.22 C ATOM 2323 C SER B 49 -1.603 -10.274 -14.646 1.00 25.45 C ATOM 2324 O SER B 49 -0.975 -10.005 -13.613 1.00 54.31 O ATOM 2325 CB SER B 49 -2.848 -12.399 -15.294 1.00 34.54 C ATOM 2326 OG SER B 49 -3.220 -12.825 -13.991 1.00 11.11 O ATOM 0 H SER B 49 -0.315 -12.139 -13.586 1.00 53.40 H new ATOM 0 HA SER B 49 -1.139 -11.537 -16.298 1.00 22.22 H new ATOM 0 HB2 SER B 49 -3.613 -11.734 -15.695 1.00 34.54 H new ATOM 0 HB3 SER B 49 -2.794 -13.260 -15.960 1.00 34.54 H new ATOM 0 HG SER B 49 -2.959 -13.761 -13.866 1.00 11.11 H new ATOM 2332 N ASP B 50 -2.414 -9.388 -15.273 1.00 2.54 N ATOM 2333 CA ASP B 50 -2.633 -8.008 -14.786 1.00 30.22 C ATOM 2334 C ASP B 50 -3.522 -8.018 -13.512 1.00 43.52 C ATOM 2335 O ASP B 50 -4.738 -7.838 -13.561 1.00 53.54 O ATOM 2336 CB ASP B 50 -3.219 -7.090 -15.915 1.00 22.22 C ATOM 2337 CG ASP B 50 -4.613 -7.517 -16.445 1.00 51.22 C ATOM 2338 OD1 ASP B 50 -4.718 -8.590 -17.077 1.00 54.54 O ATOM 2339 OD2 ASP B 50 -5.610 -6.802 -16.202 1.00 63.45 O ATOM 0 H ASP B 50 -2.930 -9.609 -16.124 1.00 2.54 H new ATOM 0 HA ASP B 50 -1.669 -7.581 -14.510 1.00 30.22 H new ATOM 0 HB2 ASP B 50 -3.287 -6.070 -15.535 1.00 22.22 H new ATOM 0 HB3 ASP B 50 -2.518 -7.073 -16.750 1.00 22.22 H new ATOM 2344 N LYS B 51 -2.891 -8.325 -12.374 1.00 14.35 N ATOM 2345 CA LYS B 51 -3.519 -8.308 -11.041 1.00 13.51 C ATOM 2346 C LYS B 51 -2.454 -7.961 -9.998 1.00 54.44 C ATOM 2347 O LYS B 51 -1.256 -7.932 -10.298 1.00 31.14 O ATOM 2348 CB LYS B 51 -4.203 -9.677 -10.689 1.00 1.11 C ATOM 2349 CG LYS B 51 -5.638 -9.858 -11.248 1.00 30.02 C ATOM 2350 CD LYS B 51 -6.299 -11.189 -10.822 1.00 3.32 C ATOM 2351 CE LYS B 51 -5.593 -12.435 -11.394 1.00 61.55 C ATOM 2352 NZ LYS B 51 -5.664 -12.498 -12.876 1.00 65.03 N ATOM 0 H LYS B 51 -1.909 -8.599 -12.349 1.00 14.35 H new ATOM 0 HA LYS B 51 -4.307 -7.555 -11.042 1.00 13.51 H new ATOM 0 HB2 LYS B 51 -3.578 -10.486 -11.067 1.00 1.11 H new ATOM 0 HB3 LYS B 51 -4.236 -9.781 -9.604 1.00 1.11 H new ATOM 0 HG2 LYS B 51 -6.259 -9.028 -10.910 1.00 30.02 H new ATOM 0 HG3 LYS B 51 -5.605 -9.809 -12.336 1.00 30.02 H new ATOM 0 HD2 LYS B 51 -6.304 -11.251 -9.734 1.00 3.32 H new ATOM 0 HD3 LYS B 51 -7.340 -11.189 -11.146 1.00 3.32 H new ATOM 0 HE2 LYS B 51 -4.548 -12.432 -11.083 1.00 61.55 H new ATOM 0 HE3 LYS B 51 -6.048 -13.332 -10.973 1.00 61.55 H new ATOM 0 HZ1 LYS B 51 -5.917 -13.463 -13.171 1.00 65.03 H new ATOM 0 HZ2 LYS B 51 -6.386 -11.831 -13.218 1.00 65.03 H new ATOM 0 HZ3 LYS B 51 -4.740 -12.244 -13.279 1.00 65.03 H new ATOM 2366 N SER B 52 -2.927 -7.710 -8.782 1.00 43.14 N ATOM 2367 CA SER B 52 -2.102 -7.420 -7.618 1.00 31.45 C ATOM 2368 C SER B 52 -2.941 -7.710 -6.369 1.00 41.30 C ATOM 2369 O SER B 52 -4.133 -7.396 -6.338 1.00 21.01 O ATOM 2370 CB SER B 52 -1.635 -5.948 -7.633 1.00 65.40 C ATOM 2371 OG SER B 52 -0.751 -5.687 -6.559 1.00 61.05 O ATOM 0 H SER B 52 -3.926 -7.703 -8.574 1.00 43.14 H new ATOM 0 HA SER B 52 -1.207 -8.042 -7.624 1.00 31.45 H new ATOM 0 HB2 SER B 52 -1.139 -5.729 -8.579 1.00 65.40 H new ATOM 0 HB3 SER B 52 -2.499 -5.287 -7.566 1.00 65.40 H new ATOM 0 HG SER B 52 0.154 -5.547 -6.907 1.00 61.05 H new ATOM 2377 N HIS B 53 -2.335 -8.334 -5.359 1.00 40.32 N ATOM 2378 CA HIS B 53 -3.012 -8.622 -4.080 1.00 64.44 C ATOM 2379 C HIS B 53 -2.479 -7.652 -3.029 1.00 25.11 C ATOM 2380 O HIS B 53 -1.278 -7.619 -2.771 1.00 23.41 O ATOM 2381 CB HIS B 53 -2.783 -10.091 -3.650 1.00 2.52 C ATOM 2382 CG HIS B 53 -3.449 -11.121 -4.524 1.00 2.25 C ATOM 2383 ND1 HIS B 53 -3.938 -12.306 -4.043 1.00 33.43 N ATOM 2384 CD2 HIS B 53 -3.672 -11.152 -5.859 1.00 30.14 C ATOM 2385 CE1 HIS B 53 -4.438 -13.009 -5.031 1.00 50.32 C ATOM 2386 NE2 HIS B 53 -4.287 -12.334 -6.144 1.00 30.12 N ATOM 0 H HIS B 53 -1.368 -8.655 -5.396 1.00 40.32 H new ATOM 0 HA HIS B 53 -4.088 -8.489 -4.192 1.00 64.44 H new ATOM 0 HB2 HIS B 53 -1.711 -10.287 -3.636 1.00 2.52 H new ATOM 0 HB3 HIS B 53 -3.143 -10.215 -2.629 1.00 2.52 H new ATOM 0 HD1 HIS B 53 -3.917 -12.598 -3.066 1.00 33.43 H new ATOM 0 HD2 HIS B 53 -3.410 -10.381 -6.568 1.00 30.14 H new ATOM 0 HE1 HIS B 53 -4.898 -13.982 -4.942 1.00 50.32 H new ATOM 2395 N ILE B 54 -3.375 -6.817 -2.492 1.00 73.34 N ATOM 2396 CA ILE B 54 -3.054 -5.819 -1.477 1.00 0.43 C ATOM 2397 C ILE B 54 -3.559 -6.357 -0.131 1.00 43.34 C ATOM 2398 O ILE B 54 -4.766 -6.447 0.073 1.00 30.41 O ATOM 2399 CB ILE B 54 -3.705 -4.403 -1.773 1.00 22.03 C ATOM 2400 CG1 ILE B 54 -3.232 -3.779 -3.135 1.00 54.13 C ATOM 2401 CG2 ILE B 54 -3.380 -3.418 -0.630 1.00 11.32 C ATOM 2402 CD1 ILE B 54 -3.712 -4.472 -4.388 1.00 34.54 C ATOM 0 H ILE B 54 -4.360 -6.819 -2.758 1.00 73.34 H new ATOM 0 HA ILE B 54 -1.976 -5.660 -1.471 1.00 0.43 H new ATOM 0 HB ILE B 54 -4.780 -4.569 -1.843 1.00 22.03 H new ATOM 0 HG12 ILE B 54 -3.563 -2.741 -3.169 1.00 54.13 H new ATOM 0 HG13 ILE B 54 -2.142 -3.767 -3.146 1.00 54.13 H new ATOM 0 HG21 ILE B 54 -3.832 -2.450 -0.845 1.00 11.32 H new ATOM 0 HG22 ILE B 54 -3.779 -3.805 0.308 1.00 11.32 H new ATOM 0 HG23 ILE B 54 -2.299 -3.303 -0.545 1.00 11.32 H new ATOM 0 HD11 ILE B 54 -3.322 -3.952 -5.263 1.00 34.54 H new ATOM 0 HD12 ILE B 54 -3.359 -5.503 -4.391 1.00 34.54 H new ATOM 0 HD13 ILE B 54 -4.802 -4.461 -4.415 1.00 34.54 H new ATOM 2414 N TRP B 55 -2.632 -6.756 0.753 1.00 54.33 N ATOM 2415 CA TRP B 55 -2.965 -7.240 2.102 1.00 73.32 C ATOM 2416 C TRP B 55 -3.012 -6.040 3.078 1.00 52.31 C ATOM 2417 O TRP B 55 -1.969 -5.463 3.404 1.00 51.41 O ATOM 2418 CB TRP B 55 -1.922 -8.303 2.556 1.00 51.02 C ATOM 2419 CG TRP B 55 -1.979 -9.607 1.767 1.00 71.10 C ATOM 2420 CD1 TRP B 55 -2.762 -10.692 2.021 1.00 20.45 C ATOM 2421 CD2 TRP B 55 -1.231 -9.946 0.598 1.00 23.14 C ATOM 2422 NE1 TRP B 55 -2.528 -11.677 1.104 1.00 75.41 N ATOM 2423 CE2 TRP B 55 -1.604 -11.240 0.206 1.00 11.12 C ATOM 2424 CE3 TRP B 55 -0.290 -9.279 -0.147 1.00 73.41 C ATOM 2425 CZ2 TRP B 55 -1.060 -11.869 -0.912 1.00 34.33 C ATOM 2426 CZ3 TRP B 55 0.247 -9.887 -1.245 1.00 54.14 C ATOM 2427 CH2 TRP B 55 -0.135 -11.176 -1.628 1.00 23.41 C ATOM 0 H TRP B 55 -1.632 -6.752 0.554 1.00 54.33 H new ATOM 0 HA TRP B 55 -3.945 -7.717 2.096 1.00 73.32 H new ATOM 0 HB2 TRP B 55 -0.922 -7.878 2.464 1.00 51.02 H new ATOM 0 HB3 TRP B 55 -2.079 -8.523 3.612 1.00 51.02 H new ATOM 0 HD1 TRP B 55 -3.469 -10.764 2.834 1.00 20.45 H new ATOM 0 HE1 TRP B 55 -2.975 -12.594 1.094 1.00 75.41 H new ATOM 0 HE3 TRP B 55 0.022 -8.284 0.133 1.00 73.41 H new ATOM 0 HZ2 TRP B 55 -1.361 -12.866 -1.198 1.00 34.33 H new ATOM 0 HZ3 TRP B 55 0.985 -9.360 -1.832 1.00 54.14 H new ATOM 0 HH2 TRP B 55 0.310 -11.627 -2.503 1.00 23.41 H new ATOM 2438 N LEU B 56 -4.239 -5.638 3.484 1.00 73.23 N ATOM 2439 CA LEU B 56 -4.462 -4.519 4.421 1.00 2.14 C ATOM 2440 C LEU B 56 -4.468 -5.036 5.865 1.00 64.13 C ATOM 2441 O LEU B 56 -5.357 -5.786 6.255 1.00 13.32 O ATOM 2442 CB LEU B 56 -5.813 -3.783 4.152 1.00 52.32 C ATOM 2443 CG LEU B 56 -5.959 -3.015 2.799 1.00 35.11 C ATOM 2444 CD1 LEU B 56 -4.800 -2.032 2.572 1.00 24.33 C ATOM 2445 CD2 LEU B 56 -6.156 -3.978 1.612 1.00 32.25 C ATOM 0 H LEU B 56 -5.101 -6.083 3.169 1.00 73.23 H new ATOM 0 HA LEU B 56 -3.647 -3.811 4.268 1.00 2.14 H new ATOM 0 HB2 LEU B 56 -6.614 -4.520 4.209 1.00 52.32 H new ATOM 0 HB3 LEU B 56 -5.976 -3.072 4.962 1.00 52.32 H new ATOM 0 HG LEU B 56 -6.866 -2.414 2.865 1.00 35.11 H new ATOM 0 HD11 LEU B 56 -4.939 -1.519 1.621 1.00 24.33 H new ATOM 0 HD12 LEU B 56 -4.780 -1.300 3.380 1.00 24.33 H new ATOM 0 HD13 LEU B 56 -3.857 -2.579 2.554 1.00 24.33 H new ATOM 0 HD21 LEU B 56 -6.253 -3.404 0.690 1.00 32.25 H new ATOM 0 HD22 LEU B 56 -5.296 -4.643 1.536 1.00 32.25 H new ATOM 0 HD23 LEU B 56 -7.059 -4.569 1.769 1.00 32.25 H new ATOM 2457 N LEU B 57 -3.484 -4.603 6.639 1.00 14.22 N ATOM 2458 CA LEU B 57 -3.378 -4.890 8.068 1.00 1.14 C ATOM 2459 C LEU B 57 -4.151 -3.805 8.833 1.00 53.04 C ATOM 2460 O LEU B 57 -3.742 -2.645 8.851 1.00 60.42 O ATOM 2461 CB LEU B 57 -1.886 -4.927 8.519 1.00 34.04 C ATOM 2462 CG LEU B 57 -1.049 -6.193 8.120 1.00 34.42 C ATOM 2463 CD1 LEU B 57 -1.020 -6.448 6.597 1.00 55.35 C ATOM 2464 CD2 LEU B 57 0.381 -6.109 8.695 1.00 1.13 C ATOM 0 H LEU B 57 -2.718 -4.029 6.286 1.00 14.22 H new ATOM 0 HA LEU B 57 -3.803 -5.871 8.281 1.00 1.14 H new ATOM 0 HB2 LEU B 57 -1.387 -4.049 8.109 1.00 34.04 H new ATOM 0 HB3 LEU B 57 -1.858 -4.832 9.604 1.00 34.04 H new ATOM 0 HG LEU B 57 -1.556 -7.050 8.563 1.00 34.42 H new ATOM 0 HD11 LEU B 57 -0.425 -7.337 6.388 1.00 55.35 H new ATOM 0 HD12 LEU B 57 -2.037 -6.598 6.234 1.00 55.35 H new ATOM 0 HD13 LEU B 57 -0.578 -5.589 6.093 1.00 55.35 H new ATOM 0 HD21 LEU B 57 0.942 -6.997 8.405 1.00 1.13 H new ATOM 0 HD22 LEU B 57 0.879 -5.222 8.304 1.00 1.13 H new ATOM 0 HD23 LEU B 57 0.333 -6.049 9.782 1.00 1.13 H new ATOM 2476 N VAL B 58 -5.301 -4.194 9.390 1.00 72.04 N ATOM 2477 CA VAL B 58 -6.173 -3.317 10.209 1.00 63.33 C ATOM 2478 C VAL B 58 -6.887 -4.194 11.245 1.00 75.12 C ATOM 2479 O VAL B 58 -7.096 -5.362 10.986 1.00 73.44 O ATOM 2480 CB VAL B 58 -7.235 -2.559 9.312 1.00 31.20 C ATOM 2481 CG1 VAL B 58 -8.247 -3.529 8.645 1.00 0.30 C ATOM 2482 CG2 VAL B 58 -7.962 -1.429 10.095 1.00 40.14 C ATOM 0 H VAL B 58 -5.667 -5.141 9.289 1.00 72.04 H new ATOM 0 HA VAL B 58 -5.565 -2.558 10.701 1.00 63.33 H new ATOM 0 HB VAL B 58 -6.672 -2.086 8.508 1.00 31.20 H new ATOM 0 HG11 VAL B 58 -8.953 -2.959 8.041 1.00 0.30 H new ATOM 0 HG12 VAL B 58 -7.711 -4.233 8.009 1.00 0.30 H new ATOM 0 HG13 VAL B 58 -8.788 -4.077 9.416 1.00 0.30 H new ATOM 0 HG21 VAL B 58 -8.681 -0.937 9.440 1.00 40.14 H new ATOM 0 HG22 VAL B 58 -8.484 -1.857 10.950 1.00 40.14 H new ATOM 0 HG23 VAL B 58 -7.231 -0.700 10.444 1.00 40.14 H new ATOM 2492 N ASN B 59 -7.243 -3.656 12.418 1.00 31.24 N ATOM 2493 CA ASN B 59 -7.968 -4.445 13.442 1.00 75.43 C ATOM 2494 C ASN B 59 -9.392 -4.801 12.954 1.00 34.14 C ATOM 2495 O ASN B 59 -10.055 -3.987 12.299 1.00 63.40 O ATOM 2496 CB ASN B 59 -8.006 -3.705 14.797 1.00 64.01 C ATOM 2497 CG ASN B 59 -8.795 -2.392 14.778 1.00 4.35 C ATOM 2498 OD1 ASN B 59 -8.923 -1.739 13.747 1.00 43.21 O ATOM 2499 ND2 ASN B 59 -9.300 -1.985 15.922 1.00 62.14 N ATOM 0 H ASN B 59 -7.048 -2.692 12.687 1.00 31.24 H new ATOM 0 HA ASN B 59 -7.424 -5.377 13.596 1.00 75.43 H new ATOM 0 HB2 ASN B 59 -8.442 -4.366 15.546 1.00 64.01 H new ATOM 0 HB3 ASN B 59 -6.984 -3.496 15.112 1.00 64.01 H new ATOM 0 HD21 ASN B 59 -9.814 -1.105 15.968 1.00 62.14 H new ATOM 0 HD22 ASN B 59 -9.178 -2.549 16.763 1.00 62.14 H new ATOM 2506 N ASP B 60 -9.823 -6.037 13.235 1.00 50.41 N ATOM 2507 CA ASP B 60 -11.141 -6.538 12.822 1.00 51.34 C ATOM 2508 C ASP B 60 -12.260 -5.922 13.673 1.00 72.13 C ATOM 2509 O ASP B 60 -12.132 -5.809 14.895 1.00 41.32 O ATOM 2510 CB ASP B 60 -11.200 -8.080 12.886 1.00 73.41 C ATOM 2511 CG ASP B 60 -12.541 -8.649 12.385 1.00 43.24 C ATOM 2512 OD1 ASP B 60 -12.946 -8.312 11.251 1.00 45.23 O ATOM 2513 OD2 ASP B 60 -13.187 -9.435 13.111 1.00 41.21 O ATOM 0 H ASP B 60 -9.269 -6.718 13.755 1.00 50.41 H new ATOM 0 HA ASP B 60 -11.294 -6.236 11.786 1.00 51.34 H new ATOM 0 HB2 ASP B 60 -10.389 -8.495 12.288 1.00 73.41 H new ATOM 0 HB3 ASP B 60 -11.035 -8.403 13.914 1.00 73.41 H new ATOM 2518 N ASP B 61 -13.360 -5.536 13.011 1.00 34.00 N ATOM 2519 CA ASP B 61 -14.508 -4.891 13.657 1.00 53.10 C ATOM 2520 C ASP B 61 -15.814 -5.383 13.005 1.00 45.43 C ATOM 2521 O ASP B 61 -15.802 -5.899 11.881 1.00 54.12 O ATOM 2522 CB ASP B 61 -14.347 -3.351 13.556 1.00 64.02 C ATOM 2523 CG ASP B 61 -15.481 -2.556 14.218 1.00 11.11 C ATOM 2524 OD1 ASP B 61 -15.692 -2.718 15.431 1.00 32.54 O ATOM 2525 OD2 ASP B 61 -16.176 -1.792 13.531 1.00 45.44 O ATOM 0 H ASP B 61 -13.477 -5.664 12.006 1.00 34.00 H new ATOM 0 HA ASP B 61 -14.552 -5.156 14.713 1.00 53.10 H new ATOM 0 HB2 ASP B 61 -13.401 -3.065 14.016 1.00 64.02 H new ATOM 0 HB3 ASP B 61 -14.288 -3.071 12.504 1.00 64.02 H new ATOM 2530 N GLN B 62 -16.927 -5.206 13.726 1.00 31.41 N ATOM 2531 CA GLN B 62 -18.273 -5.602 13.270 1.00 12.51 C ATOM 2532 C GLN B 62 -18.705 -4.774 12.038 1.00 40.42 C ATOM 2533 O GLN B 62 -19.381 -5.277 11.139 1.00 1.21 O ATOM 2534 CB GLN B 62 -19.286 -5.421 14.436 1.00 11.31 C ATOM 2535 CG GLN B 62 -18.911 -6.179 15.730 1.00 71.52 C ATOM 2536 CD GLN B 62 -19.915 -5.961 16.872 1.00 55.11 C ATOM 2537 OE1 GLN B 62 -20.891 -6.701 17.012 1.00 31.33 O ATOM 2538 NE2 GLN B 62 -19.692 -4.944 17.698 1.00 61.43 N ATOM 0 H GLN B 62 -16.923 -4.780 14.653 1.00 31.41 H new ATOM 0 HA GLN B 62 -18.252 -6.650 12.972 1.00 12.51 H new ATOM 0 HB2 GLN B 62 -19.373 -4.359 14.664 1.00 11.31 H new ATOM 0 HB3 GLN B 62 -20.268 -5.758 14.104 1.00 11.31 H new ATOM 0 HG2 GLN B 62 -18.844 -7.245 15.512 1.00 71.52 H new ATOM 0 HG3 GLN B 62 -17.922 -5.858 16.058 1.00 71.52 H new ATOM 0 HE21 GLN B 62 -18.877 -4.346 17.562 1.00 61.43 H new ATOM 0 HE22 GLN B 62 -20.335 -4.762 18.468 1.00 61.43 H new ATOM 2547 N ARG B 63 -18.279 -3.499 12.005 1.00 4.11 N ATOM 2548 CA ARG B 63 -18.553 -2.585 10.881 1.00 3.14 C ATOM 2549 C ARG B 63 -17.566 -2.840 9.726 1.00 31.42 C ATOM 2550 O ARG B 63 -17.917 -2.637 8.559 1.00 34.00 O ATOM 2551 CB ARG B 63 -18.475 -1.110 11.351 1.00 34.23 C ATOM 2552 CG ARG B 63 -18.704 -0.050 10.250 1.00 44.14 C ATOM 2553 CD ARG B 63 -18.501 1.391 10.739 1.00 74.32 C ATOM 2554 NE ARG B 63 -18.469 2.354 9.619 1.00 74.21 N ATOM 2555 CZ ARG B 63 -18.140 3.651 9.724 1.00 14.15 C ATOM 2556 NH1 ARG B 63 -17.820 4.174 10.902 1.00 3.21 N ATOM 2557 NH2 ARG B 63 -18.115 4.417 8.639 1.00 0.42 N ATOM 0 H ARG B 63 -17.736 -3.073 12.756 1.00 4.11 H new ATOM 0 HA ARG B 63 -19.563 -2.776 10.517 1.00 3.14 H new ATOM 0 HB2 ARG B 63 -19.214 -0.958 12.138 1.00 34.23 H new ATOM 0 HB3 ARG B 63 -17.495 -0.940 11.797 1.00 34.23 H new ATOM 0 HG2 ARG B 63 -18.022 -0.244 9.422 1.00 44.14 H new ATOM 0 HG3 ARG B 63 -19.717 -0.154 9.861 1.00 44.14 H new ATOM 0 HD2 ARG B 63 -19.305 1.658 11.425 1.00 74.32 H new ATOM 0 HD3 ARG B 63 -17.569 1.456 11.300 1.00 74.32 H new ATOM 0 HE ARG B 63 -18.716 2.006 8.693 1.00 74.21 H new ATOM 0 HH11 ARG B 63 -17.823 3.589 11.737 1.00 3.21 H new ATOM 0 HH12 ARG B 63 -17.571 5.161 10.971 1.00 3.21 H new ATOM 0 HH21 ARG B 63 -18.346 4.019 7.728 1.00 0.42 H new ATOM 0 HH22 ARG B 63 -17.865 5.403 8.716 1.00 0.42 H new ATOM 2571 N LEU B 64 -16.334 -3.305 10.067 1.00 1.32 N ATOM 2572 CA LEU B 64 -15.271 -3.591 9.071 1.00 12.41 C ATOM 2573 C LEU B 64 -15.784 -4.555 7.988 1.00 33.51 C ATOM 2574 O LEU B 64 -15.491 -4.378 6.815 1.00 21.00 O ATOM 2575 CB LEU B 64 -14.014 -4.203 9.745 1.00 71.42 C ATOM 2576 CG LEU B 64 -12.748 -4.359 8.829 1.00 44.41 C ATOM 2577 CD1 LEU B 64 -12.085 -3.004 8.519 1.00 22.11 C ATOM 2578 CD2 LEU B 64 -11.727 -5.327 9.440 1.00 21.40 C ATOM 0 H LEU B 64 -16.054 -3.490 11.030 1.00 1.32 H new ATOM 0 HA LEU B 64 -14.996 -2.642 8.611 1.00 12.41 H new ATOM 0 HB2 LEU B 64 -13.745 -3.581 10.599 1.00 71.42 H new ATOM 0 HB3 LEU B 64 -14.278 -5.186 10.136 1.00 71.42 H new ATOM 0 HG LEU B 64 -13.098 -4.780 7.886 1.00 44.41 H new ATOM 0 HD11 LEU B 64 -11.214 -3.162 7.883 1.00 22.11 H new ATOM 0 HD12 LEU B 64 -12.798 -2.359 8.005 1.00 22.11 H new ATOM 0 HD13 LEU B 64 -11.773 -2.530 9.450 1.00 22.11 H new ATOM 0 HD21 LEU B 64 -10.864 -5.411 8.779 1.00 21.40 H new ATOM 0 HD22 LEU B 64 -11.405 -4.951 10.411 1.00 21.40 H new ATOM 0 HD23 LEU B 64 -12.185 -6.308 9.564 1.00 21.40 H new ATOM 2590 N GLU B 65 -16.604 -5.535 8.423 1.00 13.23 N ATOM 2591 CA GLU B 65 -17.212 -6.560 7.551 1.00 33.40 C ATOM 2592 C GLU B 65 -18.102 -5.922 6.462 1.00 51.10 C ATOM 2593 O GLU B 65 -18.120 -6.384 5.319 1.00 61.52 O ATOM 2594 CB GLU B 65 -18.055 -7.541 8.403 1.00 54.33 C ATOM 2595 CG GLU B 65 -17.317 -8.113 9.626 1.00 44.12 C ATOM 2596 CD GLU B 65 -18.164 -9.124 10.405 1.00 22.23 C ATOM 2597 OE1 GLU B 65 -19.019 -8.696 11.203 1.00 61.54 O ATOM 2598 OE2 GLU B 65 -18.003 -10.351 10.203 1.00 20.54 O ATOM 0 H GLU B 65 -16.865 -5.637 9.404 1.00 13.23 H new ATOM 0 HA GLU B 65 -16.405 -7.099 7.055 1.00 33.40 H new ATOM 0 HB2 GLU B 65 -18.954 -7.028 8.743 1.00 54.33 H new ATOM 0 HB3 GLU B 65 -18.380 -8.367 7.770 1.00 54.33 H new ATOM 0 HG2 GLU B 65 -16.395 -8.593 9.298 1.00 44.12 H new ATOM 0 HG3 GLU B 65 -17.032 -7.296 10.289 1.00 44.12 H new ATOM 2605 N GLN B 66 -18.830 -4.852 6.849 1.00 55.11 N ATOM 2606 CA GLN B 66 -19.705 -4.094 5.935 1.00 74.23 C ATOM 2607 C GLN B 66 -18.863 -3.334 4.889 1.00 21.41 C ATOM 2608 O GLN B 66 -19.253 -3.251 3.720 1.00 64.44 O ATOM 2609 CB GLN B 66 -20.610 -3.109 6.732 1.00 61.24 C ATOM 2610 CG GLN B 66 -21.527 -3.782 7.783 1.00 41.03 C ATOM 2611 CD GLN B 66 -22.576 -4.734 7.179 1.00 41.21 C ATOM 2612 OE1 GLN B 66 -23.033 -4.551 6.045 1.00 70.10 O ATOM 2613 NE2 GLN B 66 -22.988 -5.742 7.935 1.00 11.41 N ATOM 0 H GLN B 66 -18.826 -4.492 7.803 1.00 55.11 H new ATOM 0 HA GLN B 66 -20.349 -4.800 5.411 1.00 74.23 H new ATOM 0 HB2 GLN B 66 -19.975 -2.380 7.236 1.00 61.24 H new ATOM 0 HB3 GLN B 66 -21.232 -2.557 6.027 1.00 61.24 H new ATOM 0 HG2 GLN B 66 -20.908 -4.339 8.487 1.00 41.03 H new ATOM 0 HG3 GLN B 66 -22.040 -3.007 8.353 1.00 41.03 H new ATOM 0 HE21 GLN B 66 -22.596 -5.873 8.868 1.00 11.41 H new ATOM 0 HE22 GLN B 66 -23.696 -6.386 7.584 1.00 11.41 H new ATOM 2622 N MET B 67 -17.705 -2.785 5.339 1.00 60.41 N ATOM 2623 CA MET B 67 -16.721 -2.117 4.454 1.00 13.11 C ATOM 2624 C MET B 67 -16.130 -3.118 3.438 1.00 22.12 C ATOM 2625 O MET B 67 -15.961 -2.789 2.263 1.00 11.45 O ATOM 2626 CB MET B 67 -15.572 -1.444 5.281 1.00 45.44 C ATOM 2627 CG MET B 67 -15.897 -0.072 5.920 1.00 13.45 C ATOM 2628 SD MET B 67 -17.122 -0.112 7.253 1.00 75.22 S ATOM 2629 CE MET B 67 -18.674 0.161 6.393 1.00 63.14 C ATOM 0 H MET B 67 -17.430 -2.794 6.321 1.00 60.41 H new ATOM 0 HA MET B 67 -17.249 -1.335 3.909 1.00 13.11 H new ATOM 0 HB2 MET B 67 -15.276 -2.129 6.075 1.00 45.44 H new ATOM 0 HB3 MET B 67 -14.708 -1.321 4.628 1.00 45.44 H new ATOM 0 HG2 MET B 67 -14.974 0.357 6.310 1.00 13.45 H new ATOM 0 HG3 MET B 67 -16.255 0.599 5.139 1.00 13.45 H new ATOM 0 HE1 MET B 67 -19.497 -0.219 6.998 1.00 63.14 H new ATOM 0 HE2 MET B 67 -18.812 1.229 6.222 1.00 63.14 H new ATOM 0 HE3 MET B 67 -18.656 -0.361 5.436 1.00 63.14 H new ATOM 2639 N ILE B 68 -15.846 -4.337 3.926 1.00 12.51 N ATOM 2640 CA ILE B 68 -15.305 -5.455 3.129 1.00 5.31 C ATOM 2641 C ILE B 68 -16.324 -5.897 2.050 1.00 75.42 C ATOM 2642 O ILE B 68 -15.951 -6.167 0.901 1.00 31.13 O ATOM 2643 CB ILE B 68 -14.922 -6.651 4.096 1.00 72.13 C ATOM 2644 CG1 ILE B 68 -13.721 -6.243 5.016 1.00 4.02 C ATOM 2645 CG2 ILE B 68 -14.620 -7.964 3.335 1.00 5.14 C ATOM 2646 CD1 ILE B 68 -13.448 -7.186 6.174 1.00 43.35 C ATOM 0 H ILE B 68 -15.989 -4.580 4.906 1.00 12.51 H new ATOM 0 HA ILE B 68 -14.405 -5.130 2.608 1.00 5.31 H new ATOM 0 HB ILE B 68 -15.793 -6.852 4.719 1.00 72.13 H new ATOM 0 HG12 ILE B 68 -12.822 -6.174 4.404 1.00 4.02 H new ATOM 0 HG13 ILE B 68 -13.912 -5.247 5.416 1.00 4.02 H new ATOM 0 HG21 ILE B 68 -14.364 -8.747 4.048 1.00 5.14 H new ATOM 0 HG22 ILE B 68 -15.499 -8.265 2.766 1.00 5.14 H new ATOM 0 HG23 ILE B 68 -13.784 -7.806 2.654 1.00 5.14 H new ATOM 0 HD11 ILE B 68 -12.600 -6.818 6.751 1.00 43.35 H new ATOM 0 HD12 ILE B 68 -14.328 -7.238 6.816 1.00 43.35 H new ATOM 0 HD13 ILE B 68 -13.221 -8.180 5.788 1.00 43.35 H new ATOM 2658 N SER B 69 -17.611 -5.920 2.442 1.00 35.55 N ATOM 2659 CA SER B 69 -18.725 -6.302 1.557 1.00 14.23 C ATOM 2660 C SER B 69 -19.017 -5.197 0.514 1.00 40.35 C ATOM 2661 O SER B 69 -19.473 -5.497 -0.593 1.00 52.14 O ATOM 2662 CB SER B 69 -19.989 -6.597 2.408 1.00 34.32 C ATOM 2663 OG SER B 69 -21.054 -7.118 1.624 1.00 1.31 O ATOM 0 H SER B 69 -17.908 -5.673 3.386 1.00 35.55 H new ATOM 0 HA SER B 69 -18.441 -7.202 1.011 1.00 14.23 H new ATOM 0 HB2 SER B 69 -19.737 -7.308 3.195 1.00 34.32 H new ATOM 0 HB3 SER B 69 -20.316 -5.681 2.899 1.00 34.32 H new ATOM 0 HG SER B 69 -21.829 -7.291 2.198 1.00 1.31 H new ATOM 2669 N GLN B 70 -18.742 -3.923 0.877 1.00 3.53 N ATOM 2670 CA GLN B 70 -19.005 -2.763 0.010 1.00 33.52 C ATOM 2671 C GLN B 70 -17.915 -2.665 -1.072 1.00 62.33 C ATOM 2672 O GLN B 70 -18.220 -2.507 -2.264 1.00 45.44 O ATOM 2673 CB GLN B 70 -19.075 -1.461 0.869 1.00 30.41 C ATOM 2674 CG GLN B 70 -19.606 -0.192 0.138 1.00 72.15 C ATOM 2675 CD GLN B 70 -18.603 0.511 -0.797 1.00 51.33 C ATOM 2676 OE1 GLN B 70 -18.985 1.069 -1.824 1.00 24.04 O ATOM 2677 NE2 GLN B 70 -17.326 0.535 -0.431 1.00 31.22 N ATOM 0 H GLN B 70 -18.333 -3.676 1.778 1.00 3.53 H new ATOM 0 HA GLN B 70 -19.967 -2.888 -0.488 1.00 33.52 H new ATOM 0 HB2 GLN B 70 -19.712 -1.652 1.733 1.00 30.41 H new ATOM 0 HB3 GLN B 70 -18.077 -1.246 1.250 1.00 30.41 H new ATOM 0 HG2 GLN B 70 -20.483 -0.472 -0.445 1.00 72.15 H new ATOM 0 HG3 GLN B 70 -19.938 0.525 0.889 1.00 72.15 H new ATOM 0 HE21 GLN B 70 -17.032 0.065 0.425 1.00 31.22 H new ATOM 0 HE22 GLN B 70 -16.640 1.023 -1.006 1.00 31.22 H new ATOM 2686 N ILE B 71 -16.639 -2.764 -0.637 1.00 2.20 N ATOM 2687 CA ILE B 71 -15.473 -2.631 -1.528 1.00 4.22 C ATOM 2688 C ILE B 71 -15.423 -3.796 -2.539 1.00 11.44 C ATOM 2689 O ILE B 71 -14.915 -3.644 -3.650 1.00 75.44 O ATOM 2690 CB ILE B 71 -14.111 -2.537 -0.740 1.00 21.12 C ATOM 2691 CG1 ILE B 71 -12.969 -2.070 -1.700 1.00 72.04 C ATOM 2692 CG2 ILE B 71 -13.759 -3.867 -0.021 1.00 14.25 C ATOM 2693 CD1 ILE B 71 -11.583 -2.091 -1.117 1.00 23.32 C ATOM 0 H ILE B 71 -16.393 -2.938 0.338 1.00 2.20 H new ATOM 0 HA ILE B 71 -15.599 -1.691 -2.066 1.00 4.22 H new ATOM 0 HB ILE B 71 -14.224 -1.791 0.046 1.00 21.12 H new ATOM 0 HG12 ILE B 71 -12.981 -2.705 -2.586 1.00 72.04 H new ATOM 0 HG13 ILE B 71 -13.189 -1.055 -2.032 1.00 72.04 H new ATOM 0 HG21 ILE B 71 -12.813 -3.755 0.509 1.00 14.25 H new ATOM 0 HG22 ILE B 71 -14.546 -4.115 0.691 1.00 14.25 H new ATOM 0 HG23 ILE B 71 -13.670 -4.666 -0.757 1.00 14.25 H new ATOM 0 HD11 ILE B 71 -10.868 -1.749 -1.866 1.00 23.32 H new ATOM 0 HD12 ILE B 71 -11.543 -1.432 -0.250 1.00 23.32 H new ATOM 0 HD13 ILE B 71 -11.332 -3.107 -0.813 1.00 23.32 H new ATOM 2705 N ASP B 72 -15.980 -4.948 -2.121 1.00 24.13 N ATOM 2706 CA ASP B 72 -16.128 -6.149 -2.952 1.00 20.24 C ATOM 2707 C ASP B 72 -16.816 -5.839 -4.303 1.00 21.22 C ATOM 2708 O ASP B 72 -16.510 -6.466 -5.322 1.00 21.33 O ATOM 2709 CB ASP B 72 -16.952 -7.201 -2.161 1.00 31.54 C ATOM 2710 CG ASP B 72 -17.308 -8.458 -2.974 1.00 24.34 C ATOM 2711 OD1 ASP B 72 -16.396 -9.238 -3.298 1.00 41.34 O ATOM 2712 OD2 ASP B 72 -18.496 -8.665 -3.301 1.00 22.44 O ATOM 0 H ASP B 72 -16.346 -5.068 -1.177 1.00 24.13 H new ATOM 0 HA ASP B 72 -15.135 -6.536 -3.182 1.00 20.24 H new ATOM 0 HB2 ASP B 72 -16.388 -7.500 -1.278 1.00 31.54 H new ATOM 0 HB3 ASP B 72 -17.873 -6.736 -1.809 1.00 31.54 H new ATOM 2717 N LYS B 73 -17.726 -4.846 -4.288 1.00 11.12 N ATOM 2718 CA LYS B 73 -18.576 -4.498 -5.444 1.00 71.25 C ATOM 2719 C LYS B 73 -17.853 -3.579 -6.452 1.00 43.45 C ATOM 2720 O LYS B 73 -18.423 -3.226 -7.491 1.00 21.04 O ATOM 2721 CB LYS B 73 -19.893 -3.844 -4.936 1.00 14.31 C ATOM 2722 CG LYS B 73 -20.601 -4.632 -3.803 1.00 42.45 C ATOM 2723 CD LYS B 73 -20.839 -6.125 -4.156 1.00 63.20 C ATOM 2724 CE LYS B 73 -21.426 -6.928 -2.984 1.00 64.44 C ATOM 2725 NZ LYS B 73 -21.498 -8.379 -3.292 1.00 2.34 N ATOM 0 H LYS B 73 -17.893 -4.260 -3.470 1.00 11.12 H new ATOM 0 HA LYS B 73 -18.809 -5.417 -5.982 1.00 71.25 H new ATOM 0 HB2 LYS B 73 -19.671 -2.838 -4.579 1.00 14.31 H new ATOM 0 HB3 LYS B 73 -20.581 -3.740 -5.775 1.00 14.31 H new ATOM 0 HG2 LYS B 73 -20.000 -4.571 -2.896 1.00 42.45 H new ATOM 0 HG3 LYS B 73 -21.559 -4.160 -3.584 1.00 42.45 H new ATOM 0 HD2 LYS B 73 -21.515 -6.189 -5.009 1.00 63.20 H new ATOM 0 HD3 LYS B 73 -19.895 -6.576 -4.463 1.00 63.20 H new ATOM 0 HE2 LYS B 73 -20.814 -6.775 -2.095 1.00 64.44 H new ATOM 0 HE3 LYS B 73 -22.424 -6.556 -2.752 1.00 64.44 H new ATOM 0 HZ1 LYS B 73 -22.021 -8.868 -2.538 1.00 2.34 H new ATOM 0 HZ2 LYS B 73 -21.988 -8.518 -4.199 1.00 2.34 H new ATOM 0 HZ3 LYS B 73 -20.536 -8.769 -3.355 1.00 2.34 H new ATOM 2739 N LEU B 74 -16.607 -3.183 -6.136 1.00 31.14 N ATOM 2740 CA LEU B 74 -15.752 -2.391 -7.043 1.00 71.11 C ATOM 2741 C LEU B 74 -15.167 -3.300 -8.148 1.00 63.14 C ATOM 2742 O LEU B 74 -14.815 -4.457 -7.892 1.00 14.23 O ATOM 2743 CB LEU B 74 -14.617 -1.659 -6.249 1.00 40.31 C ATOM 2744 CG LEU B 74 -14.990 -0.282 -5.596 1.00 1.54 C ATOM 2745 CD1 LEU B 74 -15.381 0.750 -6.673 1.00 54.04 C ATOM 2746 CD2 LEU B 74 -16.094 -0.427 -4.523 1.00 43.23 C ATOM 0 H LEU B 74 -16.163 -3.402 -5.244 1.00 31.14 H new ATOM 0 HA LEU B 74 -16.364 -1.624 -7.517 1.00 71.11 H new ATOM 0 HB2 LEU B 74 -14.268 -2.326 -5.461 1.00 40.31 H new ATOM 0 HB3 LEU B 74 -13.777 -1.499 -6.925 1.00 40.31 H new ATOM 0 HG LEU B 74 -14.101 0.086 -5.084 1.00 1.54 H new ATOM 0 HD11 LEU B 74 -15.635 1.696 -6.195 1.00 54.04 H new ATOM 0 HD12 LEU B 74 -14.543 0.901 -7.354 1.00 54.04 H new ATOM 0 HD13 LEU B 74 -16.242 0.384 -7.233 1.00 54.04 H new ATOM 0 HD21 LEU B 74 -16.320 0.551 -4.098 1.00 43.23 H new ATOM 0 HD22 LEU B 74 -16.993 -0.840 -4.980 1.00 43.23 H new ATOM 0 HD23 LEU B 74 -15.749 -1.094 -3.733 1.00 43.23 H new ATOM 2758 N GLU B 75 -15.065 -2.748 -9.369 1.00 4.12 N ATOM 2759 CA GLU B 75 -14.644 -3.489 -10.584 1.00 12.33 C ATOM 2760 C GLU B 75 -13.162 -3.881 -10.536 1.00 20.42 C ATOM 2761 O GLU B 75 -12.770 -4.909 -11.109 1.00 1.14 O ATOM 2762 CB GLU B 75 -14.914 -2.635 -11.842 1.00 32.41 C ATOM 2763 CG GLU B 75 -16.392 -2.244 -12.046 1.00 15.10 C ATOM 2764 CD GLU B 75 -16.578 -1.305 -13.242 1.00 5.31 C ATOM 2765 OE1 GLU B 75 -16.722 -1.797 -14.383 1.00 40.20 O ATOM 2766 OE2 GLU B 75 -16.535 -0.074 -13.050 1.00 12.43 O ATOM 0 H GLU B 75 -15.273 -1.766 -9.549 1.00 4.12 H new ATOM 0 HA GLU B 75 -15.229 -4.408 -10.625 1.00 12.33 H new ATOM 0 HB2 GLU B 75 -14.316 -1.726 -11.783 1.00 32.41 H new ATOM 0 HB3 GLU B 75 -14.573 -3.185 -12.719 1.00 32.41 H new ATOM 0 HG2 GLU B 75 -16.988 -3.144 -12.196 1.00 15.10 H new ATOM 0 HG3 GLU B 75 -16.767 -1.761 -11.144 1.00 15.10 H new ATOM 2773 N ASP B 76 -12.340 -3.044 -9.878 1.00 72.15 N ATOM 2774 CA ASP B 76 -10.919 -3.346 -9.652 1.00 1.34 C ATOM 2775 C ASP B 76 -10.791 -4.571 -8.749 1.00 73.42 C ATOM 2776 O ASP B 76 -10.058 -5.502 -9.086 1.00 33.31 O ATOM 2777 CB ASP B 76 -10.157 -2.130 -9.065 1.00 23.31 C ATOM 2778 CG ASP B 76 -10.792 -1.522 -7.800 1.00 73.34 C ATOM 2779 OD1 ASP B 76 -11.848 -0.864 -7.933 1.00 21.33 O ATOM 2780 OD2 ASP B 76 -10.233 -1.660 -6.692 1.00 4.52 O ATOM 0 H ASP B 76 -12.640 -2.149 -9.492 1.00 72.15 H new ATOM 0 HA ASP B 76 -10.458 -3.567 -10.614 1.00 1.34 H new ATOM 0 HB2 ASP B 76 -9.137 -2.436 -8.832 1.00 23.31 H new ATOM 0 HB3 ASP B 76 -10.091 -1.356 -9.830 1.00 23.31 H new ATOM 2785 N VAL B 77 -11.567 -4.573 -7.640 1.00 33.11 N ATOM 2786 CA VAL B 77 -11.617 -5.682 -6.682 1.00 13.40 C ATOM 2787 C VAL B 77 -12.226 -6.928 -7.351 1.00 22.14 C ATOM 2788 O VAL B 77 -13.452 -7.110 -7.391 1.00 35.21 O ATOM 2789 CB VAL B 77 -12.419 -5.278 -5.389 1.00 60.23 C ATOM 2790 CG1 VAL B 77 -12.549 -6.457 -4.392 1.00 63.23 C ATOM 2791 CG2 VAL B 77 -11.765 -4.057 -4.705 1.00 12.21 C ATOM 0 H VAL B 77 -12.178 -3.795 -7.391 1.00 33.11 H new ATOM 0 HA VAL B 77 -10.600 -5.920 -6.371 1.00 13.40 H new ATOM 0 HB VAL B 77 -13.427 -5.008 -5.704 1.00 60.23 H new ATOM 0 HG11 VAL B 77 -13.109 -6.132 -3.515 1.00 63.23 H new ATOM 0 HG12 VAL B 77 -13.073 -7.283 -4.872 1.00 63.23 H new ATOM 0 HG13 VAL B 77 -11.556 -6.786 -4.086 1.00 63.23 H new ATOM 0 HG21 VAL B 77 -12.333 -3.792 -3.813 1.00 12.21 H new ATOM 0 HG22 VAL B 77 -10.741 -4.303 -4.423 1.00 12.21 H new ATOM 0 HG23 VAL B 77 -11.759 -3.213 -5.395 1.00 12.21 H new ATOM 2801 N VAL B 78 -11.327 -7.725 -7.949 1.00 15.54 N ATOM 2802 CA VAL B 78 -11.642 -9.014 -8.579 1.00 41.51 C ATOM 2803 C VAL B 78 -12.216 -9.973 -7.520 1.00 2.03 C ATOM 2804 O VAL B 78 -13.199 -10.668 -7.770 1.00 0.44 O ATOM 2805 CB VAL B 78 -10.361 -9.656 -9.250 1.00 1.34 C ATOM 2806 CG1 VAL B 78 -10.699 -10.964 -10.007 1.00 33.41 C ATOM 2807 CG2 VAL B 78 -9.644 -8.642 -10.178 1.00 2.54 C ATOM 0 H VAL B 78 -10.338 -7.484 -8.009 1.00 15.54 H new ATOM 0 HA VAL B 78 -12.379 -8.843 -9.363 1.00 41.51 H new ATOM 0 HB VAL B 78 -9.675 -9.917 -8.445 1.00 1.34 H new ATOM 0 HG11 VAL B 78 -9.791 -11.371 -10.452 1.00 33.41 H new ATOM 0 HG12 VAL B 78 -11.119 -11.690 -9.310 1.00 33.41 H new ATOM 0 HG13 VAL B 78 -11.425 -10.753 -10.792 1.00 33.41 H new ATOM 0 HG21 VAL B 78 -8.768 -9.113 -10.624 1.00 2.54 H new ATOM 0 HG22 VAL B 78 -10.326 -8.325 -10.967 1.00 2.54 H new ATOM 0 HG23 VAL B 78 -9.333 -7.774 -9.597 1.00 2.54 H new ATOM 2817 N LYS B 79 -11.572 -9.979 -6.338 1.00 34.35 N ATOM 2818 CA LYS B 79 -12.011 -10.733 -5.147 1.00 10.14 C ATOM 2819 C LYS B 79 -11.600 -9.953 -3.891 1.00 63.22 C ATOM 2820 O LYS B 79 -10.590 -9.242 -3.906 1.00 51.12 O ATOM 2821 CB LYS B 79 -11.358 -12.147 -5.082 1.00 52.50 C ATOM 2822 CG LYS B 79 -11.784 -13.134 -6.195 1.00 21.42 C ATOM 2823 CD LYS B 79 -11.063 -14.495 -6.099 1.00 1.13 C ATOM 2824 CE LYS B 79 -9.529 -14.372 -6.214 1.00 2.31 C ATOM 2825 NZ LYS B 79 -8.861 -15.690 -6.095 1.00 53.50 N ATOM 0 H LYS B 79 -10.715 -9.449 -6.180 1.00 34.35 H new ATOM 0 HA LYS B 79 -13.092 -10.856 -5.206 1.00 10.14 H new ATOM 0 HB2 LYS B 79 -10.275 -12.029 -5.121 1.00 52.50 H new ATOM 0 HB3 LYS B 79 -11.595 -12.593 -4.116 1.00 52.50 H new ATOM 0 HG2 LYS B 79 -12.861 -13.294 -6.139 1.00 21.42 H new ATOM 0 HG3 LYS B 79 -11.578 -12.687 -7.168 1.00 21.42 H new ATOM 0 HD2 LYS B 79 -11.314 -14.967 -5.149 1.00 1.13 H new ATOM 0 HD3 LYS B 79 -11.430 -15.151 -6.888 1.00 1.13 H new ATOM 0 HE2 LYS B 79 -9.271 -13.919 -7.171 1.00 2.31 H new ATOM 0 HE3 LYS B 79 -9.158 -13.705 -5.436 1.00 2.31 H new ATOM 0 HZ1 LYS B 79 -7.832 -15.566 -6.177 1.00 53.50 H new ATOM 0 HZ2 LYS B 79 -9.086 -16.111 -5.171 1.00 53.50 H new ATOM 0 HZ3 LYS B 79 -9.196 -16.319 -6.853 1.00 53.50 H new ATOM 2839 N VAL B 80 -12.379 -10.086 -2.817 1.00 12.44 N ATOM 2840 CA VAL B 80 -11.973 -9.635 -1.471 1.00 3.22 C ATOM 2841 C VAL B 80 -11.851 -10.876 -0.568 1.00 15.21 C ATOM 2842 O VAL B 80 -12.668 -11.800 -0.660 1.00 31.13 O ATOM 2843 CB VAL B 80 -12.981 -8.597 -0.839 1.00 11.31 C ATOM 2844 CG1 VAL B 80 -14.382 -9.206 -0.588 1.00 3.54 C ATOM 2845 CG2 VAL B 80 -12.402 -7.981 0.460 1.00 75.10 C ATOM 0 H VAL B 80 -13.308 -10.507 -2.847 1.00 12.44 H new ATOM 0 HA VAL B 80 -11.019 -9.115 -1.557 1.00 3.22 H new ATOM 0 HB VAL B 80 -13.112 -7.800 -1.571 1.00 11.31 H new ATOM 0 HG11 VAL B 80 -15.035 -8.449 -0.153 1.00 3.54 H new ATOM 0 HG12 VAL B 80 -14.804 -9.550 -1.532 1.00 3.54 H new ATOM 0 HG13 VAL B 80 -14.295 -10.048 0.098 1.00 3.54 H new ATOM 0 HG21 VAL B 80 -13.116 -7.270 0.875 1.00 75.10 H new ATOM 0 HG22 VAL B 80 -12.215 -8.772 1.186 1.00 75.10 H new ATOM 0 HG23 VAL B 80 -11.468 -7.467 0.234 1.00 75.10 H new ATOM 2855 N GLN B 81 -10.818 -10.913 0.279 1.00 12.14 N ATOM 2856 CA GLN B 81 -10.555 -12.043 1.189 1.00 31.10 C ATOM 2857 C GLN B 81 -10.210 -11.513 2.586 1.00 52.33 C ATOM 2858 O GLN B 81 -9.588 -10.456 2.719 1.00 62.34 O ATOM 2859 CB GLN B 81 -9.401 -12.915 0.625 1.00 53.02 C ATOM 2860 CG GLN B 81 -9.750 -13.672 -0.678 1.00 63.14 C ATOM 2861 CD GLN B 81 -8.526 -14.210 -1.406 1.00 45.12 C ATOM 2862 OE1 GLN B 81 -7.995 -13.560 -2.304 1.00 11.04 O ATOM 2863 NE2 GLN B 81 -8.049 -15.381 -1.006 1.00 64.24 N ATOM 0 H GLN B 81 -10.135 -10.159 0.357 1.00 12.14 H new ATOM 0 HA GLN B 81 -11.447 -12.664 1.267 1.00 31.10 H new ATOM 0 HB2 GLN B 81 -8.537 -12.277 0.440 1.00 53.02 H new ATOM 0 HB3 GLN B 81 -9.105 -13.640 1.384 1.00 53.02 H new ATOM 0 HG2 GLN B 81 -10.417 -14.501 -0.441 1.00 63.14 H new ATOM 0 HG3 GLN B 81 -10.296 -13.003 -1.344 1.00 63.14 H new ATOM 0 HE21 GLN B 81 -8.516 -15.893 -0.257 1.00 64.24 H new ATOM 0 HE22 GLN B 81 -7.215 -15.770 -1.447 1.00 64.24 H new ATOM 2872 N ARG B 82 -10.648 -12.249 3.620 1.00 62.43 N ATOM 2873 CA ARG B 82 -10.411 -11.901 5.030 1.00 10.15 C ATOM 2874 C ARG B 82 -9.494 -12.966 5.646 1.00 11.03 C ATOM 2875 O ARG B 82 -9.965 -14.030 6.063 1.00 64.43 O ATOM 2876 CB ARG B 82 -11.755 -11.826 5.807 1.00 72.20 C ATOM 2877 CG ARG B 82 -12.810 -10.884 5.191 1.00 2.40 C ATOM 2878 CD ARG B 82 -14.117 -10.865 5.996 1.00 61.41 C ATOM 2879 NE ARG B 82 -13.913 -10.356 7.366 1.00 23.15 N ATOM 2880 CZ ARG B 82 -14.798 -10.441 8.368 1.00 71.24 C ATOM 2881 NH1 ARG B 82 -15.978 -11.014 8.192 1.00 42.11 N ATOM 2882 NH2 ARG B 82 -14.509 -9.938 9.552 1.00 64.32 N ATOM 0 H ARG B 82 -11.181 -13.110 3.500 1.00 62.43 H new ATOM 0 HA ARG B 82 -9.936 -10.922 5.093 1.00 10.15 H new ATOM 0 HB2 ARG B 82 -12.178 -12.829 5.871 1.00 72.20 H new ATOM 0 HB3 ARG B 82 -11.550 -11.501 6.827 1.00 72.20 H new ATOM 0 HG2 ARG B 82 -12.404 -9.874 5.138 1.00 2.40 H new ATOM 0 HG3 ARG B 82 -13.020 -11.197 4.168 1.00 2.40 H new ATOM 0 HD2 ARG B 82 -14.850 -10.243 5.483 1.00 61.41 H new ATOM 0 HD3 ARG B 82 -14.530 -11.873 6.041 1.00 61.41 H new ATOM 0 HE ARG B 82 -13.023 -9.901 7.567 1.00 23.15 H new ATOM 0 HH11 ARG B 82 -16.227 -11.400 7.281 1.00 42.11 H new ATOM 0 HH12 ARG B 82 -16.639 -11.069 8.967 1.00 42.11 H new ATOM 0 HH21 ARG B 82 -13.610 -9.483 9.707 1.00 64.32 H new ATOM 0 HH22 ARG B 82 -15.185 -10.004 10.313 1.00 64.32 H new ATOM 2896 N ASN B 83 -8.185 -12.705 5.642 1.00 73.23 N ATOM 2897 CA ASN B 83 -7.176 -13.650 6.161 1.00 53.41 C ATOM 2898 C ASN B 83 -6.854 -13.286 7.617 1.00 23.24 C ATOM 2899 O ASN B 83 -6.965 -12.115 8.016 1.00 71.13 O ATOM 2900 CB ASN B 83 -5.877 -13.632 5.297 1.00 12.55 C ATOM 2901 CG ASN B 83 -6.103 -13.818 3.787 1.00 2.04 C ATOM 2902 OD1 ASN B 83 -7.146 -13.463 3.236 1.00 64.40 O ATOM 2903 ND2 ASN B 83 -5.112 -14.360 3.103 1.00 11.33 N ATOM 0 H ASN B 83 -7.789 -11.837 5.281 1.00 73.23 H new ATOM 0 HA ASN B 83 -7.584 -14.660 6.112 1.00 53.41 H new ATOM 0 HB2 ASN B 83 -5.363 -12.685 5.459 1.00 12.55 H new ATOM 0 HB3 ASN B 83 -5.212 -14.420 5.650 1.00 12.55 H new ATOM 0 HD21 ASN B 83 -5.200 -14.493 2.096 1.00 11.33 H new ATOM 0 HD22 ASN B 83 -4.258 -14.646 3.582 1.00 11.33 H new ATOM 2910 N GLN B 84 -6.460 -14.293 8.407 1.00 72.44 N ATOM 2911 CA GLN B 84 -6.117 -14.108 9.822 1.00 21.44 C ATOM 2912 C GLN B 84 -4.632 -13.725 9.931 1.00 22.21 C ATOM 2913 O GLN B 84 -3.794 -14.256 9.186 1.00 74.42 O ATOM 2914 CB GLN B 84 -6.413 -15.405 10.618 1.00 30.04 C ATOM 2915 CG GLN B 84 -6.155 -15.298 12.139 1.00 72.23 C ATOM 2916 CD GLN B 84 -6.479 -16.565 12.937 1.00 71.21 C ATOM 2917 OE1 GLN B 84 -6.876 -16.489 14.102 1.00 4.24 O ATOM 2918 NE2 GLN B 84 -6.273 -17.737 12.347 1.00 23.45 N ATOM 0 H GLN B 84 -6.370 -15.256 8.084 1.00 72.44 H new ATOM 0 HA GLN B 84 -6.723 -13.308 10.248 1.00 21.44 H new ATOM 0 HB2 GLN B 84 -7.454 -15.685 10.458 1.00 30.04 H new ATOM 0 HB3 GLN B 84 -5.801 -16.211 10.214 1.00 30.04 H new ATOM 0 HG2 GLN B 84 -5.107 -15.043 12.298 1.00 72.23 H new ATOM 0 HG3 GLN B 84 -6.747 -14.474 12.537 1.00 72.23 H new ATOM 0 HE21 GLN B 84 -5.944 -17.771 11.382 1.00 23.45 H new ATOM 0 HE22 GLN B 84 -6.444 -18.603 12.859 1.00 23.45 H new ATOM 2927 N SER B 85 -4.319 -12.794 10.851 1.00 31.43 N ATOM 2928 CA SER B 85 -2.968 -12.242 10.989 1.00 31.55 C ATOM 2929 C SER B 85 -2.033 -13.219 11.700 1.00 0.33 C ATOM 2930 O SER B 85 -2.303 -13.676 12.823 1.00 40.12 O ATOM 2931 CB SER B 85 -2.982 -10.876 11.692 1.00 51.33 C ATOM 2932 OG SER B 85 -1.675 -10.334 11.819 1.00 64.14 O ATOM 0 H SER B 85 -4.993 -12.409 11.513 1.00 31.43 H new ATOM 0 HA SER B 85 -2.581 -12.088 9.982 1.00 31.55 H new ATOM 0 HB2 SER B 85 -3.609 -10.184 11.130 1.00 51.33 H new ATOM 0 HB3 SER B 85 -3.430 -10.981 12.680 1.00 51.33 H new ATOM 0 HG SER B 85 -1.670 -9.654 12.524 1.00 64.14 H new ATOM 2938 N ASP B 86 -0.941 -13.536 11.000 1.00 12.25 N ATOM 2939 CA ASP B 86 0.142 -14.378 11.486 1.00 32.00 C ATOM 2940 C ASP B 86 1.449 -13.765 10.960 1.00 15.04 C ATOM 2941 O ASP B 86 1.501 -13.395 9.776 1.00 43.12 O ATOM 2942 CB ASP B 86 -0.042 -15.835 10.979 1.00 21.12 C ATOM 2943 CG ASP B 86 0.893 -16.848 11.666 1.00 12.11 C ATOM 2944 OD1 ASP B 86 2.086 -16.911 11.315 1.00 33.31 O ATOM 2945 OD2 ASP B 86 0.442 -17.582 12.570 1.00 12.53 O ATOM 0 H ASP B 86 -0.786 -13.200 10.049 1.00 12.25 H new ATOM 0 HA ASP B 86 0.155 -14.421 12.575 1.00 32.00 H new ATOM 0 HB2 ASP B 86 -1.076 -16.140 11.141 1.00 21.12 H new ATOM 0 HB3 ASP B 86 0.134 -15.862 9.904 1.00 21.12 H new ATOM 2950 N PRO B 87 2.513 -13.623 11.817 1.00 44.32 N ATOM 2951 CA PRO B 87 3.808 -13.004 11.413 1.00 21.11 C ATOM 2952 C PRO B 87 4.431 -13.636 10.142 1.00 4.24 C ATOM 2953 O PRO B 87 5.053 -12.928 9.332 1.00 52.34 O ATOM 2954 CB PRO B 87 4.720 -13.218 12.663 1.00 73.02 C ATOM 2955 CG PRO B 87 4.009 -14.247 13.502 1.00 62.42 C ATOM 2956 CD PRO B 87 2.538 -14.018 13.257 1.00 4.53 C ATOM 0 HA PRO B 87 3.680 -11.957 11.139 1.00 21.11 H new ATOM 0 HB2 PRO B 87 5.711 -13.565 12.372 1.00 73.02 H new ATOM 0 HB3 PRO B 87 4.857 -12.288 13.214 1.00 73.02 H new ATOM 0 HG2 PRO B 87 4.302 -15.257 13.216 1.00 62.42 H new ATOM 0 HG3 PRO B 87 4.254 -14.130 14.558 1.00 62.42 H new ATOM 0 HD2 PRO B 87 1.950 -14.917 13.442 1.00 4.53 H new ATOM 0 HD3 PRO B 87 2.136 -13.236 13.900 1.00 4.53 H new ATOM 2964 N THR B 88 4.233 -14.955 9.962 1.00 24.13 N ATOM 2965 CA THR B 88 4.834 -15.692 8.839 1.00 21.32 C ATOM 2966 C THR B 88 4.040 -15.487 7.540 1.00 22.11 C ATOM 2967 O THR B 88 4.636 -15.534 6.468 1.00 54.12 O ATOM 2968 CB THR B 88 4.968 -17.222 9.125 1.00 43.51 C ATOM 2969 OG1 THR B 88 3.673 -17.841 9.198 1.00 22.54 O ATOM 2970 CG2 THR B 88 5.731 -17.484 10.430 1.00 42.24 C ATOM 0 H THR B 88 3.661 -15.530 10.581 1.00 24.13 H new ATOM 0 HA THR B 88 5.836 -15.280 8.719 1.00 21.32 H new ATOM 0 HB THR B 88 5.531 -17.657 8.299 1.00 43.51 H new ATOM 0 HG1 THR B 88 3.176 -17.471 9.958 1.00 22.54 H new ATOM 0 HG21 THR B 88 5.806 -18.558 10.598 1.00 42.24 H new ATOM 0 HG22 THR B 88 6.731 -17.057 10.358 1.00 42.24 H new ATOM 0 HG23 THR B 88 5.198 -17.023 11.262 1.00 42.24 H new ATOM 2978 N MET B 89 2.701 -15.253 7.655 1.00 24.45 N ATOM 2979 CA MET B 89 1.810 -15.040 6.488 1.00 23.12 C ATOM 2980 C MET B 89 2.342 -13.905 5.604 1.00 52.34 C ATOM 2981 O MET B 89 2.595 -14.122 4.420 1.00 62.11 O ATOM 2982 CB MET B 89 0.350 -14.731 6.939 1.00 52.13 C ATOM 2983 CG MET B 89 -0.603 -14.291 5.797 1.00 64.45 C ATOM 2984 SD MET B 89 -0.655 -15.471 4.425 1.00 62.51 S ATOM 2985 CE MET B 89 -1.593 -14.563 3.189 1.00 10.43 C ATOM 0 H MET B 89 2.218 -15.208 8.552 1.00 24.45 H new ATOM 0 HA MET B 89 1.797 -15.963 5.908 1.00 23.12 H new ATOM 0 HB2 MET B 89 -0.064 -15.619 7.417 1.00 52.13 H new ATOM 0 HB3 MET B 89 0.376 -13.946 7.694 1.00 52.13 H new ATOM 0 HG2 MET B 89 -1.608 -14.165 6.199 1.00 64.45 H new ATOM 0 HG3 MET B 89 -0.286 -13.318 5.421 1.00 64.45 H new ATOM 0 HE1 MET B 89 -2.353 -15.215 2.758 1.00 10.43 H new ATOM 0 HE2 MET B 89 -2.074 -13.704 3.656 1.00 10.43 H new ATOM 0 HE3 MET B 89 -0.921 -14.219 2.403 1.00 10.43 H new ATOM 2995 N PHE B 90 2.575 -12.736 6.238 1.00 13.12 N ATOM 2996 CA PHE B 90 3.063 -11.510 5.574 1.00 34.32 C ATOM 2997 C PHE B 90 4.413 -11.760 4.865 1.00 24.10 C ATOM 2998 O PHE B 90 4.623 -11.318 3.729 1.00 33.11 O ATOM 2999 CB PHE B 90 3.194 -10.376 6.637 1.00 43.32 C ATOM 3000 CG PHE B 90 3.498 -8.979 6.078 1.00 72.11 C ATOM 3001 CD1 PHE B 90 4.816 -8.535 5.909 1.00 55.34 C ATOM 3002 CD2 PHE B 90 2.461 -8.106 5.734 1.00 42.10 C ATOM 3003 CE1 PHE B 90 5.082 -7.273 5.416 1.00 12.14 C ATOM 3004 CE2 PHE B 90 2.731 -6.841 5.246 1.00 32.54 C ATOM 3005 CZ PHE B 90 4.039 -6.427 5.085 1.00 42.43 C ATOM 0 H PHE B 90 2.427 -12.617 7.240 1.00 13.12 H new ATOM 0 HA PHE B 90 2.348 -11.208 4.808 1.00 34.32 H new ATOM 0 HB2 PHE B 90 2.266 -10.326 7.206 1.00 43.32 H new ATOM 0 HB3 PHE B 90 3.984 -10.648 7.338 1.00 43.32 H new ATOM 0 HD1 PHE B 90 5.635 -9.189 6.168 1.00 55.34 H new ATOM 0 HD2 PHE B 90 1.436 -8.424 5.851 1.00 42.10 H new ATOM 0 HE1 PHE B 90 6.104 -6.947 5.289 1.00 12.14 H new ATOM 0 HE2 PHE B 90 1.919 -6.176 4.991 1.00 32.54 H new ATOM 0 HZ PHE B 90 4.248 -5.440 4.700 1.00 42.43 H new ATOM 3015 N ASN B 91 5.299 -12.515 5.543 1.00 55.34 N ATOM 3016 CA ASN B 91 6.644 -12.815 5.034 1.00 24.41 C ATOM 3017 C ASN B 91 6.580 -13.873 3.915 1.00 5.04 C ATOM 3018 O ASN B 91 7.400 -13.848 2.995 1.00 72.44 O ATOM 3019 CB ASN B 91 7.554 -13.291 6.199 1.00 21.12 C ATOM 3020 CG ASN B 91 8.979 -13.641 5.739 1.00 2.32 C ATOM 3021 OD1 ASN B 91 9.299 -14.801 5.473 1.00 61.22 O ATOM 3022 ND2 ASN B 91 9.830 -12.637 5.603 1.00 34.11 N ATOM 0 H ASN B 91 5.101 -12.930 6.453 1.00 55.34 H new ATOM 0 HA ASN B 91 7.071 -11.907 4.607 1.00 24.41 H new ATOM 0 HB2 ASN B 91 7.604 -12.510 6.957 1.00 21.12 H new ATOM 0 HB3 ASN B 91 7.105 -14.165 6.671 1.00 21.12 H new ATOM 0 HD21 ASN B 91 10.778 -12.813 5.271 1.00 34.11 H new ATOM 0 HD22 ASN B 91 9.538 -11.687 5.831 1.00 34.11 H new ATOM 3029 N LYS B 92 5.563 -14.762 3.991 1.00 12.12 N ATOM 3030 CA LYS B 92 5.444 -15.936 3.119 1.00 71.41 C ATOM 3031 C LYS B 92 5.199 -15.529 1.666 1.00 21.13 C ATOM 3032 O LYS B 92 5.907 -15.996 0.780 1.00 2.53 O ATOM 3033 CB LYS B 92 4.324 -16.902 3.604 1.00 62.13 C ATOM 3034 CG LYS B 92 4.254 -18.229 2.813 1.00 62.43 C ATOM 3035 CD LYS B 92 5.549 -19.075 2.958 1.00 15.04 C ATOM 3036 CE LYS B 92 5.579 -20.287 2.010 1.00 45.23 C ATOM 3037 NZ LYS B 92 4.444 -21.216 2.236 1.00 44.53 N ATOM 0 H LYS B 92 4.802 -14.678 4.665 1.00 12.12 H new ATOM 0 HA LYS B 92 6.395 -16.467 3.172 1.00 71.41 H new ATOM 0 HB2 LYS B 92 4.484 -17.127 4.658 1.00 62.13 H new ATOM 0 HB3 LYS B 92 3.362 -16.394 3.529 1.00 62.13 H new ATOM 0 HG2 LYS B 92 3.402 -18.812 3.162 1.00 62.43 H new ATOM 0 HG3 LYS B 92 4.082 -18.012 1.759 1.00 62.43 H new ATOM 0 HD2 LYS B 92 6.415 -18.443 2.760 1.00 15.04 H new ATOM 0 HD3 LYS B 92 5.637 -19.422 3.987 1.00 15.04 H new ATOM 0 HE2 LYS B 92 5.557 -19.937 0.978 1.00 45.23 H new ATOM 0 HE3 LYS B 92 6.517 -20.826 2.144 1.00 45.23 H new ATOM 0 HZ1 LYS B 92 4.530 -22.031 1.596 1.00 44.53 H new ATOM 0 HZ2 LYS B 92 4.457 -21.547 3.222 1.00 44.53 H new ATOM 0 HZ3 LYS B 92 3.548 -20.722 2.049 1.00 44.53 H new ATOM 3051 N ILE B 93 4.212 -14.645 1.417 1.00 73.54 N ATOM 3052 CA ILE B 93 3.907 -14.210 0.037 1.00 12.25 C ATOM 3053 C ILE B 93 4.980 -13.227 -0.470 1.00 21.35 C ATOM 3054 O ILE B 93 5.245 -13.167 -1.673 1.00 51.34 O ATOM 3055 CB ILE B 93 2.470 -13.590 -0.142 1.00 31.41 C ATOM 3056 CG1 ILE B 93 2.288 -12.241 0.646 1.00 43.22 C ATOM 3057 CG2 ILE B 93 1.377 -14.625 0.237 1.00 65.22 C ATOM 3058 CD1 ILE B 93 1.831 -12.346 2.082 1.00 24.11 C ATOM 0 H ILE B 93 3.623 -14.225 2.136 1.00 73.54 H new ATOM 0 HA ILE B 93 3.919 -15.117 -0.567 1.00 12.25 H new ATOM 0 HB ILE B 93 2.356 -13.341 -1.197 1.00 31.41 H new ATOM 0 HG12 ILE B 93 3.239 -11.708 0.630 1.00 43.22 H new ATOM 0 HG13 ILE B 93 1.569 -11.626 0.105 1.00 43.22 H new ATOM 0 HG21 ILE B 93 0.392 -14.178 0.107 1.00 65.22 H new ATOM 0 HG22 ILE B 93 1.466 -15.500 -0.406 1.00 65.22 H new ATOM 0 HG23 ILE B 93 1.505 -14.925 1.277 1.00 65.22 H new ATOM 0 HD11 ILE B 93 1.745 -11.347 2.510 1.00 24.11 H new ATOM 0 HD12 ILE B 93 0.861 -12.842 2.120 1.00 24.11 H new ATOM 0 HD13 ILE B 93 2.557 -12.925 2.653 1.00 24.11 H new ATOM 3070 N ALA B 94 5.590 -12.474 0.471 1.00 11.43 N ATOM 3071 CA ALA B 94 6.676 -11.527 0.166 1.00 32.51 C ATOM 3072 C ALA B 94 7.930 -12.264 -0.358 1.00 41.11 C ATOM 3073 O ALA B 94 8.638 -11.752 -1.230 1.00 40.11 O ATOM 3074 CB ALA B 94 7.002 -10.690 1.415 1.00 2.34 C ATOM 0 H ALA B 94 5.342 -12.508 1.460 1.00 11.43 H new ATOM 0 HA ALA B 94 6.343 -10.856 -0.626 1.00 32.51 H new ATOM 0 HB1 ALA B 94 7.806 -9.991 1.185 1.00 2.34 H new ATOM 0 HB2 ALA B 94 6.116 -10.135 1.723 1.00 2.34 H new ATOM 0 HB3 ALA B 94 7.316 -11.350 2.224 1.00 2.34 H new ATOM 3080 N VAL B 95 8.201 -13.468 0.190 1.00 73.23 N ATOM 3081 CA VAL B 95 9.327 -14.319 -0.256 1.00 2.23 C ATOM 3082 C VAL B 95 8.912 -15.269 -1.410 1.00 14.15 C ATOM 3083 O VAL B 95 9.765 -15.750 -2.156 1.00 33.34 O ATOM 3084 CB VAL B 95 9.952 -15.138 0.946 1.00 20.42 C ATOM 3085 CG1 VAL B 95 9.002 -16.242 1.460 1.00 24.41 C ATOM 3086 CG2 VAL B 95 11.338 -15.719 0.571 1.00 62.31 C ATOM 0 H VAL B 95 7.652 -13.875 0.947 1.00 73.23 H new ATOM 0 HA VAL B 95 10.094 -13.647 -0.640 1.00 2.23 H new ATOM 0 HB VAL B 95 10.093 -14.435 1.767 1.00 20.42 H new ATOM 0 HG11 VAL B 95 9.476 -16.775 2.284 1.00 24.41 H new ATOM 0 HG12 VAL B 95 8.073 -15.790 1.807 1.00 24.41 H new ATOM 0 HG13 VAL B 95 8.786 -16.941 0.652 1.00 24.41 H new ATOM 0 HG21 VAL B 95 11.740 -16.276 1.417 1.00 62.31 H new ATOM 0 HG22 VAL B 95 11.234 -16.386 -0.285 1.00 62.31 H new ATOM 0 HG23 VAL B 95 12.017 -14.905 0.316 1.00 62.31 H new ATOM 3096 N PHE B 96 7.600 -15.555 -1.534 1.00 11.31 N ATOM 3097 CA PHE B 96 7.068 -16.468 -2.573 1.00 41.21 C ATOM 3098 C PHE B 96 6.932 -15.733 -3.921 1.00 2.32 C ATOM 3099 O PHE B 96 7.032 -16.371 -4.972 1.00 24.03 O ATOM 3100 CB PHE B 96 5.700 -17.047 -2.119 1.00 51.04 C ATOM 3101 CG PHE B 96 5.126 -18.139 -3.022 1.00 45.25 C ATOM 3102 CD1 PHE B 96 5.650 -19.431 -2.986 1.00 33.54 C ATOM 3103 CD2 PHE B 96 4.066 -17.883 -3.894 1.00 75.45 C ATOM 3104 CE1 PHE B 96 5.142 -20.426 -3.799 1.00 30.21 C ATOM 3105 CE2 PHE B 96 3.559 -18.880 -4.707 1.00 12.31 C ATOM 3106 CZ PHE B 96 4.095 -20.151 -4.657 1.00 0.52 C ATOM 0 H PHE B 96 6.882 -15.165 -0.923 1.00 11.31 H new ATOM 0 HA PHE B 96 7.767 -17.293 -2.709 1.00 41.21 H new ATOM 0 HB2 PHE B 96 5.810 -17.450 -1.112 1.00 51.04 H new ATOM 0 HB3 PHE B 96 4.980 -16.231 -2.059 1.00 51.04 H new ATOM 0 HD1 PHE B 96 6.464 -19.657 -2.313 1.00 33.54 H new ATOM 0 HD2 PHE B 96 3.636 -16.893 -3.934 1.00 75.45 H new ATOM 0 HE1 PHE B 96 5.564 -21.420 -3.764 1.00 30.21 H new ATOM 0 HE2 PHE B 96 2.743 -18.664 -5.381 1.00 12.31 H new ATOM 0 HZ PHE B 96 3.696 -20.931 -5.289 1.00 0.52 H new