USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=25 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 81 GLN : amide:sc= -0.671 K(o=-0.93,f=1.3) USER MOD Set 1.2: B 83 ASN : amide:sc= -0.261 K(o=-0.93,f=1.3) USER MOD Set 2.1: B 43 CYS SG : rot 180:sc= 1.12 USER MOD Set 2.2: B 52 SER OG : rot -167:sc= 1.29 USER MOD Set 3.1: A 28 CYS SG : rot 87:sc= 0.155! USER MOD Set 3.2: B 28 CYS SG : rot 149:sc= -2.1! USER MOD Set 4.1: B 16 THR OG1 : rot -8:sc= 0.473 USER MOD Set 4.2: B 53 HIS : no HD1:sc= -0.465 K(o=0.0081,f=-0.88) USER MOD Set 5.1: A 81 GLN : amide:sc= -0.875 K(o=-1.3,f=1.3) USER MOD Set 5.2: A 83 ASN : amide:sc= -0.428 K(o=-1.3,f=1.3) USER MOD Set 6.1: A 43 CYS SG : rot 180:sc= 0.97 USER MOD Set 6.2: A 52 SER OG : rot -168:sc= 1.38 USER MOD Set 7.1: A 16 THR OG1 : rot -6:sc= 0.505 USER MOD Set 7.2: A 53 HIS : no HD1:sc= -0.375 K(o=0.13,f=-1.3) USER MOD Set 8.1: A 8 HIS : no HD1:sc= -0.516 K(o=-0.97,f=-3.2) USER MOD Set 8.2: A 84 GLN : amide:sc= -0.456 K(o=-0.97,f=-3.2!) USER MOD Single : A 10 ASN : amide:sc= -0.768 K(o=-0.77,f=-0.13) USER MOD Single : A 19 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.5!) USER MOD Single : A 20 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.23) USER MOD Single : A 24 MET CE :methyl -132:sc= -0.306 (180deg=-1.61) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 26 HIS : no HD1:sc= -0.0723 K(o=-0.072,f=-0.59) USER MOD Single : A 37 ASN : amide:sc= -0.829 K(o=-0.83,f=-6.7!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 78:sc= 0.259 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 1.01 K(o=1,f=-9.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 66 GLN : amide:sc= 0.127 X(o=0.13,f=-0.0058) USER MOD Single : A 67 MET CE :methyl 170:sc= -0.728 (180deg=-0.893) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.206 K(o=0.21,f=-2.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00596) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0486 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.59) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.864 K(o=-0.86,f=-0.17) USER MOD Single : B 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD Single : B 20 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.088) USER MOD Single : B 24 MET CE :methyl -136:sc= -0.152 (180deg=-1.36) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : B 26 HIS : no HD1:sc= -0.0985 K(o=-0.099,f=-0.96) USER MOD Single : B 37 ASN : amide:sc= -1.19 K(o=-1.2,f=-7.3!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 SER OG : rot 78:sc= 0.306 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= 1.03 K(o=1,f=-9.4!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : B 66 GLN : amide:sc= 0.131 X(o=0.13,f=-0.022) USER MOD Single : B 67 MET CE :methyl 167:sc= -0.73 (180deg=-0.975) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= 0.23 K(o=0.23,f=-2.1!) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0365) USER MOD Single : B 84 GLN : amide:sc= -0.385 K(o=-0.39,f=-4.3!) USER MOD Single : B 85 SER OG : rot 180:sc=0.000238 USER MOD Single : B 88 THR OG1 : rot 180:sc=-0.000909 USER MOD Single : B 89 MET CE :methyl 178:sc= 0 (180deg=-0.00415) USER MOD Single : B 91 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.97) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 14.947 -3.198 -13.438 1.00 12.23 N ATOM 98 CA HIS A 8 15.271 -1.831 -12.950 1.00 60.44 C ATOM 99 C HIS A 8 14.378 -0.749 -13.631 1.00 74.30 C ATOM 100 O HIS A 8 14.619 0.451 -13.488 1.00 2.41 O ATOM 101 CB HIS A 8 16.781 -1.554 -13.191 1.00 54.24 C ATOM 102 CG HIS A 8 17.293 -0.286 -12.566 1.00 34.53 C ATOM 103 ND1 HIS A 8 17.424 0.895 -13.262 1.00 43.22 N ATOM 104 CD2 HIS A 8 17.693 -0.016 -11.308 1.00 45.05 C ATOM 105 CE1 HIS A 8 17.886 1.823 -12.461 1.00 13.45 C ATOM 106 NE2 HIS A 8 18.059 1.303 -11.271 1.00 32.53 N ATOM 0 HA HIS A 8 15.061 -1.776 -11.882 1.00 60.44 H new ATOM 0 HB2 HIS A 8 17.357 -2.393 -12.802 1.00 54.24 H new ATOM 0 HB3 HIS A 8 16.962 -1.513 -14.265 1.00 54.24 H new ATOM 0 HD2 HIS A 8 17.720 -0.711 -10.482 1.00 45.05 H new ATOM 0 HE1 HIS A 8 18.090 2.847 -12.736 1.00 13.45 H new ATOM 0 HE2 HIS A 8 18.409 1.799 -10.451 1.00 32.53 H new ATOM 115 N ASP A 9 13.333 -1.193 -14.366 1.00 5.34 N ATOM 116 CA ASP A 9 12.294 -0.311 -14.931 1.00 42.10 C ATOM 117 C ASP A 9 11.623 0.503 -13.809 1.00 65.11 C ATOM 118 O ASP A 9 11.331 1.696 -13.974 1.00 74.23 O ATOM 119 CB ASP A 9 11.233 -1.160 -15.682 1.00 24.43 C ATOM 120 CG ASP A 9 10.179 -0.310 -16.420 1.00 71.31 C ATOM 121 OD1 ASP A 9 9.137 0.043 -15.817 1.00 4.52 O ATOM 122 OD2 ASP A 9 10.386 0.008 -17.609 1.00 12.44 O ATOM 0 H ASP A 9 13.189 -2.179 -14.583 1.00 5.34 H new ATOM 0 HA ASP A 9 12.759 0.380 -15.635 1.00 42.10 H new ATOM 0 HB2 ASP A 9 11.737 -1.805 -16.402 1.00 24.43 H new ATOM 0 HB3 ASP A 9 10.729 -1.812 -14.969 1.00 24.43 H new ATOM 127 N ASN A 10 11.405 -0.162 -12.657 1.00 73.40 N ATOM 128 CA ASN A 10 10.819 0.484 -11.479 1.00 34.04 C ATOM 129 C ASN A 10 11.928 1.098 -10.608 1.00 73.23 C ATOM 130 O ASN A 10 13.123 0.789 -10.764 1.00 41.12 O ATOM 131 CB ASN A 10 9.952 -0.510 -10.646 1.00 4.15 C ATOM 132 CG ASN A 10 10.768 -1.497 -9.804 1.00 24.31 C ATOM 133 OD1 ASN A 10 11.159 -2.552 -10.277 1.00 60.01 O ATOM 134 ND2 ASN A 10 11.034 -1.153 -8.550 1.00 25.10 N ATOM 0 H ASN A 10 11.629 -1.148 -12.523 1.00 73.40 H new ATOM 0 HA ASN A 10 10.158 1.278 -11.826 1.00 34.04 H new ATOM 0 HB2 ASN A 10 9.298 0.060 -9.986 1.00 4.15 H new ATOM 0 HB3 ASN A 10 9.310 -1.072 -11.324 1.00 4.15 H new ATOM 0 HD21 ASN A 10 11.578 -1.777 -7.955 1.00 25.10 H new ATOM 0 HD22 ASN A 10 10.694 -0.265 -8.182 1.00 25.10 H new ATOM 141 N VAL A 11 11.508 1.951 -9.677 1.00 65.13 N ATOM 142 CA VAL A 11 12.371 2.594 -8.690 1.00 61.54 C ATOM 143 C VAL A 11 11.776 2.316 -7.309 1.00 45.53 C ATOM 144 O VAL A 11 10.547 2.219 -7.155 1.00 3.43 O ATOM 145 CB VAL A 11 12.542 4.150 -8.934 1.00 43.50 C ATOM 146 CG1 VAL A 11 13.184 4.434 -10.313 1.00 43.32 C ATOM 147 CG2 VAL A 11 11.212 4.925 -8.785 1.00 22.30 C ATOM 0 H VAL A 11 10.529 2.222 -9.586 1.00 65.13 H new ATOM 0 HA VAL A 11 13.376 2.179 -8.774 1.00 61.54 H new ATOM 0 HB VAL A 11 13.214 4.511 -8.156 1.00 43.50 H new ATOM 0 HG11 VAL A 11 13.288 5.510 -10.451 1.00 43.32 H new ATOM 0 HG12 VAL A 11 14.167 3.965 -10.360 1.00 43.32 H new ATOM 0 HG13 VAL A 11 12.550 4.027 -11.100 1.00 43.32 H new ATOM 0 HG21 VAL A 11 11.387 5.986 -8.963 1.00 22.30 H new ATOM 0 HG22 VAL A 11 10.489 4.550 -9.510 1.00 22.30 H new ATOM 0 HG23 VAL A 11 10.821 4.786 -7.777 1.00 22.30 H new ATOM 157 N ILE A 12 12.654 2.139 -6.325 1.00 74.01 N ATOM 158 CA ILE A 12 12.276 1.797 -4.952 1.00 1.10 C ATOM 159 C ILE A 12 12.192 3.099 -4.120 1.00 42.41 C ATOM 160 O ILE A 12 13.193 3.563 -3.574 1.00 24.34 O ATOM 161 CB ILE A 12 13.336 0.795 -4.328 1.00 55.42 C ATOM 162 CG1 ILE A 12 13.675 -0.390 -5.301 1.00 2.14 C ATOM 163 CG2 ILE A 12 12.853 0.249 -2.970 1.00 55.13 C ATOM 164 CD1 ILE A 12 12.552 -1.386 -5.559 1.00 72.51 C ATOM 0 H ILE A 12 13.661 2.230 -6.458 1.00 74.01 H new ATOM 0 HA ILE A 12 11.304 1.303 -4.945 1.00 1.10 H new ATOM 0 HB ILE A 12 14.251 1.366 -4.170 1.00 55.42 H new ATOM 0 HG12 ILE A 12 13.988 0.030 -6.257 1.00 2.14 H new ATOM 0 HG13 ILE A 12 14.529 -0.933 -4.896 1.00 2.14 H new ATOM 0 HG21 ILE A 12 13.600 -0.435 -2.566 1.00 55.13 H new ATOM 0 HG22 ILE A 12 12.707 1.077 -2.276 1.00 55.13 H new ATOM 0 HG23 ILE A 12 11.911 -0.282 -3.106 1.00 55.13 H new ATOM 0 HD11 ILE A 12 12.901 -2.158 -6.244 1.00 72.51 H new ATOM 0 HD12 ILE A 12 12.250 -1.845 -4.618 1.00 72.51 H new ATOM 0 HD13 ILE A 12 11.700 -0.868 -6.000 1.00 72.51 H new ATOM 176 N LEU A 13 11.006 3.717 -4.056 1.00 2.13 N ATOM 177 CA LEU A 13 10.830 5.001 -3.349 1.00 74.55 C ATOM 178 C LEU A 13 10.544 4.748 -1.868 1.00 31.05 C ATOM 179 O LEU A 13 9.415 4.445 -1.501 1.00 4.31 O ATOM 180 CB LEU A 13 9.680 5.842 -3.971 1.00 25.32 C ATOM 181 CG LEU A 13 9.862 6.281 -5.453 1.00 32.21 C ATOM 182 CD1 LEU A 13 8.715 7.206 -5.897 1.00 74.41 C ATOM 183 CD2 LEU A 13 11.235 6.946 -5.689 1.00 24.44 C ATOM 0 H LEU A 13 10.154 3.354 -4.482 1.00 2.13 H new ATOM 0 HA LEU A 13 11.756 5.567 -3.451 1.00 74.55 H new ATOM 0 HB2 LEU A 13 8.758 5.266 -3.897 1.00 25.32 H new ATOM 0 HB3 LEU A 13 9.546 6.738 -3.364 1.00 25.32 H new ATOM 0 HG LEU A 13 9.829 5.381 -6.066 1.00 32.21 H new ATOM 0 HD11 LEU A 13 8.865 7.499 -6.936 1.00 74.41 H new ATOM 0 HD12 LEU A 13 7.765 6.679 -5.802 1.00 74.41 H new ATOM 0 HD13 LEU A 13 8.701 8.096 -5.268 1.00 74.41 H new ATOM 0 HD21 LEU A 13 11.323 7.238 -6.735 1.00 24.44 H new ATOM 0 HD22 LEU A 13 11.325 7.830 -5.057 1.00 24.44 H new ATOM 0 HD23 LEU A 13 12.028 6.241 -5.441 1.00 24.44 H new ATOM 195 N GLU A 14 11.580 4.884 -1.034 1.00 65.40 N ATOM 196 CA GLU A 14 11.475 4.668 0.406 1.00 52.23 C ATOM 197 C GLU A 14 11.043 5.994 1.043 1.00 74.53 C ATOM 198 O GLU A 14 11.869 6.878 1.283 1.00 32.23 O ATOM 199 CB GLU A 14 12.840 4.158 0.978 1.00 31.54 C ATOM 200 CG GLU A 14 12.805 3.590 2.423 1.00 41.41 C ATOM 201 CD GLU A 14 12.532 4.619 3.534 1.00 23.23 C ATOM 202 OE1 GLU A 14 13.475 5.328 3.950 1.00 25.15 O ATOM 203 OE2 GLU A 14 11.381 4.703 4.017 1.00 41.31 O ATOM 0 H GLU A 14 12.516 5.148 -1.343 1.00 65.40 H new ATOM 0 HA GLU A 14 10.736 3.901 0.635 1.00 52.23 H new ATOM 0 HB2 GLU A 14 13.222 3.383 0.314 1.00 31.54 H new ATOM 0 HB3 GLU A 14 13.553 4.982 0.950 1.00 31.54 H new ATOM 0 HG2 GLU A 14 12.038 2.817 2.472 1.00 41.41 H new ATOM 0 HG3 GLU A 14 13.760 3.106 2.627 1.00 41.41 H new ATOM 210 N LEU A 15 9.739 6.147 1.266 1.00 41.41 N ATOM 211 CA LEU A 15 9.181 7.310 1.956 1.00 62.32 C ATOM 212 C LEU A 15 8.688 6.884 3.350 1.00 34.22 C ATOM 213 O LEU A 15 7.758 6.080 3.491 1.00 63.53 O ATOM 214 CB LEU A 15 8.089 7.998 1.069 1.00 10.21 C ATOM 215 CG LEU A 15 6.969 7.079 0.435 1.00 41.53 C ATOM 216 CD1 LEU A 15 5.655 7.110 1.249 1.00 64.20 C ATOM 217 CD2 LEU A 15 6.708 7.432 -1.053 1.00 43.24 C ATOM 0 H LEU A 15 9.038 5.467 0.973 1.00 41.41 H new ATOM 0 HA LEU A 15 9.946 8.070 2.115 1.00 62.32 H new ATOM 0 HB2 LEU A 15 7.596 8.758 1.674 1.00 10.21 H new ATOM 0 HB3 LEU A 15 8.596 8.518 0.256 1.00 10.21 H new ATOM 0 HG LEU A 15 7.351 6.059 0.474 1.00 41.53 H new ATOM 0 HD11 LEU A 15 4.917 6.464 0.774 1.00 64.20 H new ATOM 0 HD12 LEU A 15 5.847 6.758 2.263 1.00 64.20 H new ATOM 0 HD13 LEU A 15 5.274 8.130 1.285 1.00 64.20 H new ATOM 0 HD21 LEU A 15 5.932 6.778 -1.451 1.00 43.24 H new ATOM 0 HD22 LEU A 15 6.383 8.469 -1.129 1.00 43.24 H new ATOM 0 HD23 LEU A 15 7.626 7.297 -1.625 1.00 43.24 H new ATOM 229 N THR A 16 9.361 7.424 4.373 1.00 43.02 N ATOM 230 CA THR A 16 9.064 7.166 5.775 1.00 15.32 C ATOM 231 C THR A 16 7.958 8.122 6.216 1.00 70.22 C ATOM 232 O THR A 16 8.145 9.338 6.206 1.00 70.41 O ATOM 233 CB THR A 16 10.319 7.418 6.678 1.00 41.12 C ATOM 234 OG1 THR A 16 11.429 6.649 6.202 1.00 73.35 O ATOM 235 CG2 THR A 16 10.029 7.076 8.158 1.00 50.14 C ATOM 0 H THR A 16 10.143 8.065 4.240 1.00 43.02 H new ATOM 0 HA THR A 16 8.761 6.124 5.880 1.00 15.32 H new ATOM 0 HB THR A 16 10.565 8.478 6.622 1.00 41.12 H new ATOM 0 HG1 THR A 16 11.133 6.063 5.474 1.00 73.35 H new ATOM 0 HG21 THR A 16 10.921 7.262 8.756 1.00 50.14 H new ATOM 0 HG22 THR A 16 9.212 7.698 8.522 1.00 50.14 H new ATOM 0 HG23 THR A 16 9.750 6.026 8.241 1.00 50.14 H new ATOM 243 N VAL A 17 6.804 7.558 6.560 1.00 23.22 N ATOM 244 CA VAL A 17 5.633 8.309 7.029 1.00 24.00 C ATOM 245 C VAL A 17 5.303 7.886 8.463 1.00 62.34 C ATOM 246 O VAL A 17 5.706 6.814 8.906 1.00 23.53 O ATOM 247 CB VAL A 17 4.375 8.086 6.104 1.00 11.44 C ATOM 248 CG1 VAL A 17 4.742 8.249 4.608 1.00 23.22 C ATOM 249 CG2 VAL A 17 3.669 6.728 6.375 1.00 70.01 C ATOM 0 H VAL A 17 6.649 6.551 6.522 1.00 23.22 H new ATOM 0 HA VAL A 17 5.879 9.370 6.994 1.00 24.00 H new ATOM 0 HB VAL A 17 3.655 8.864 6.358 1.00 11.44 H new ATOM 0 HG11 VAL A 17 3.854 8.089 3.996 1.00 23.22 H new ATOM 0 HG12 VAL A 17 5.126 9.254 4.435 1.00 23.22 H new ATOM 0 HG13 VAL A 17 5.504 7.518 4.339 1.00 23.22 H new ATOM 0 HG21 VAL A 17 2.810 6.626 5.712 1.00 70.01 H new ATOM 0 HG22 VAL A 17 4.368 5.912 6.192 1.00 70.01 H new ATOM 0 HG23 VAL A 17 3.333 6.693 7.411 1.00 70.01 H new ATOM 259 N ARG A 18 4.638 8.761 9.199 1.00 42.04 N ATOM 260 CA ARG A 18 3.969 8.402 10.455 1.00 21.33 C ATOM 261 C ARG A 18 2.454 8.409 10.206 1.00 3.20 C ATOM 262 O ARG A 18 1.974 9.173 9.356 1.00 53.32 O ATOM 263 CB ARG A 18 4.396 9.363 11.579 1.00 34.54 C ATOM 264 CG ARG A 18 4.082 10.851 11.340 1.00 52.24 C ATOM 265 CD ARG A 18 4.774 11.756 12.366 1.00 11.50 C ATOM 266 NE ARG A 18 4.486 11.372 13.763 1.00 52.13 N ATOM 267 CZ ARG A 18 4.956 12.012 14.848 1.00 73.15 C ATOM 268 NH1 ARG A 18 5.743 13.084 14.723 1.00 4.50 N ATOM 269 NH2 ARG A 18 4.659 11.552 16.053 1.00 44.42 N ATOM 0 H ARG A 18 4.542 9.745 8.948 1.00 42.04 H new ATOM 0 HA ARG A 18 4.259 7.404 10.784 1.00 21.33 H new ATOM 0 HB2 ARG A 18 3.909 9.052 12.503 1.00 34.54 H new ATOM 0 HB3 ARG A 18 5.470 9.257 11.734 1.00 34.54 H new ATOM 0 HG2 ARG A 18 4.400 11.132 10.336 1.00 52.24 H new ATOM 0 HG3 ARG A 18 3.004 11.006 11.388 1.00 52.24 H new ATOM 0 HD2 ARG A 18 5.851 11.725 12.201 1.00 11.50 H new ATOM 0 HD3 ARG A 18 4.457 12.786 12.206 1.00 11.50 H new ATOM 0 HE ARG A 18 3.886 10.561 13.916 1.00 52.13 H new ATOM 0 HH11 ARG A 18 5.994 13.427 13.796 1.00 4.50 H new ATOM 0 HH12 ARG A 18 6.092 13.560 15.555 1.00 4.50 H new ATOM 0 HH21 ARG A 18 4.078 10.719 16.152 1.00 44.42 H new ATOM 0 HH22 ARG A 18 5.011 12.030 16.882 1.00 44.42 H new ATOM 283 N ASN A 19 1.721 7.550 10.937 1.00 4.32 N ATOM 284 CA ASN A 19 0.310 7.222 10.642 1.00 42.41 C ATOM 285 C ASN A 19 -0.651 8.381 11.005 1.00 32.53 C ATOM 286 O ASN A 19 -1.214 8.440 12.104 1.00 61.45 O ATOM 287 CB ASN A 19 -0.105 5.892 11.346 1.00 32.13 C ATOM 288 CG ASN A 19 0.707 4.664 10.882 1.00 0.41 C ATOM 289 OD1 ASN A 19 1.891 4.767 10.557 1.00 20.41 O ATOM 290 ND2 ASN A 19 0.075 3.496 10.836 1.00 64.43 N ATOM 0 H ASN A 19 2.090 7.061 11.752 1.00 4.32 H new ATOM 0 HA ASN A 19 0.227 7.078 9.565 1.00 42.41 H new ATOM 0 HB2 ASN A 19 0.014 6.009 12.423 1.00 32.13 H new ATOM 0 HB3 ASN A 19 -1.163 5.708 11.160 1.00 32.13 H new ATOM 0 HD21 ASN A 19 0.571 2.660 10.527 1.00 64.43 H new ATOM 0 HD22 ASN A 19 -0.906 3.436 11.110 1.00 64.43 H new ATOM 297 N HIS A 20 -0.734 9.343 10.075 1.00 71.03 N ATOM 298 CA HIS A 20 -1.790 10.381 10.008 1.00 54.24 C ATOM 299 C HIS A 20 -3.073 9.765 9.404 1.00 13.40 C ATOM 300 O HIS A 20 -2.980 8.741 8.718 1.00 4.04 O ATOM 301 CB HIS A 20 -1.313 11.570 9.112 1.00 53.12 C ATOM 302 CG HIS A 20 -0.289 12.473 9.721 1.00 34.24 C ATOM 303 ND1 HIS A 20 -0.483 13.829 9.865 1.00 21.11 N ATOM 304 CD2 HIS A 20 0.958 12.228 10.174 1.00 21.00 C ATOM 305 CE1 HIS A 20 0.595 14.376 10.379 1.00 60.21 C ATOM 306 NE2 HIS A 20 1.485 13.426 10.578 1.00 21.41 N ATOM 0 H HIS A 20 -0.051 9.429 9.323 1.00 71.03 H new ATOM 0 HA HIS A 20 -1.995 10.751 11.013 1.00 54.24 H new ATOM 0 HB2 HIS A 20 -0.906 11.162 8.186 1.00 53.12 H new ATOM 0 HB3 HIS A 20 -2.183 12.168 8.842 1.00 53.12 H new ATOM 0 HD2 HIS A 20 1.449 11.267 10.211 1.00 21.00 H new ATOM 0 HE1 HIS A 20 0.728 15.425 10.600 1.00 60.21 H new ATOM 0 HE2 HIS A 20 2.417 13.561 10.970 1.00 21.41 H new ATOM 315 N PRO A 21 -4.286 10.365 9.641 1.00 24.34 N ATOM 316 CA PRO A 21 -5.544 9.871 9.032 1.00 4.51 C ATOM 317 C PRO A 21 -5.507 9.875 7.478 1.00 15.24 C ATOM 318 O PRO A 21 -5.655 10.926 6.837 1.00 73.24 O ATOM 319 CB PRO A 21 -6.627 10.836 9.588 1.00 65.51 C ATOM 320 CG PRO A 21 -6.022 11.419 10.831 1.00 24.54 C ATOM 321 CD PRO A 21 -4.541 11.521 10.551 1.00 23.11 C ATOM 0 HA PRO A 21 -5.735 8.828 9.284 1.00 4.51 H new ATOM 0 HB2 PRO A 21 -6.872 11.614 8.865 1.00 65.51 H new ATOM 0 HB3 PRO A 21 -7.553 10.305 9.810 1.00 65.51 H new ATOM 0 HG2 PRO A 21 -6.448 12.398 11.053 1.00 24.54 H new ATOM 0 HG3 PRO A 21 -6.215 10.784 11.696 1.00 24.54 H new ATOM 0 HD2 PRO A 21 -4.285 12.469 10.079 1.00 23.11 H new ATOM 0 HD3 PRO A 21 -3.952 11.451 11.466 1.00 23.11 H new ATOM 329 N GLY A 22 -5.266 8.684 6.902 1.00 73.12 N ATOM 330 CA GLY A 22 -5.315 8.467 5.460 1.00 2.34 C ATOM 331 C GLY A 22 -4.036 8.849 4.726 1.00 14.33 C ATOM 332 O GLY A 22 -4.115 9.369 3.609 1.00 15.10 O ATOM 0 H GLY A 22 -5.031 7.846 7.434 1.00 73.12 H new ATOM 0 HA2 GLY A 22 -5.529 7.415 5.269 1.00 2.34 H new ATOM 0 HA3 GLY A 22 -6.144 9.041 5.046 1.00 2.34 H new ATOM 336 N VAL A 23 -2.850 8.566 5.324 1.00 1.54 N ATOM 337 CA VAL A 23 -1.549 8.779 4.632 1.00 44.43 C ATOM 338 C VAL A 23 -1.488 7.941 3.355 1.00 41.51 C ATOM 339 O VAL A 23 -1.022 8.392 2.312 1.00 55.01 O ATOM 340 CB VAL A 23 -0.292 8.385 5.484 1.00 33.11 C ATOM 341 CG1 VAL A 23 0.999 8.826 4.761 1.00 64.11 C ATOM 342 CG2 VAL A 23 -0.349 8.963 6.890 1.00 52.34 C ATOM 0 H VAL A 23 -2.766 8.195 6.270 1.00 1.54 H new ATOM 0 HA VAL A 23 -1.512 9.851 4.436 1.00 44.43 H new ATOM 0 HB VAL A 23 -0.289 7.300 5.587 1.00 33.11 H new ATOM 0 HG11 VAL A 23 1.865 8.548 5.361 1.00 64.11 H new ATOM 0 HG12 VAL A 23 1.058 8.335 3.790 1.00 64.11 H new ATOM 0 HG13 VAL A 23 0.987 9.907 4.621 1.00 64.11 H new ATOM 0 HG21 VAL A 23 0.542 8.664 7.443 1.00 52.34 H new ATOM 0 HG22 VAL A 23 -0.394 10.051 6.835 1.00 52.34 H new ATOM 0 HG23 VAL A 23 -1.236 8.589 7.401 1.00 52.34 H new ATOM 352 N MET A 24 -1.953 6.699 3.489 1.00 62.13 N ATOM 353 CA MET A 24 -2.038 5.740 2.393 1.00 74.50 C ATOM 354 C MET A 24 -2.855 6.320 1.214 1.00 12.14 C ATOM 355 O MET A 24 -2.483 6.143 0.060 1.00 20.12 O ATOM 356 CB MET A 24 -2.612 4.392 2.912 1.00 35.54 C ATOM 357 CG MET A 24 -3.977 4.467 3.636 1.00 32.10 C ATOM 358 SD MET A 24 -3.916 5.303 5.245 1.00 34.14 S ATOM 359 CE MET A 24 -2.802 4.253 6.179 1.00 70.23 C ATOM 0 H MET A 24 -2.286 6.327 4.378 1.00 62.13 H new ATOM 0 HA MET A 24 -1.038 5.543 2.008 1.00 74.50 H new ATOM 0 HB2 MET A 24 -2.710 3.712 2.066 1.00 35.54 H new ATOM 0 HB3 MET A 24 -1.886 3.950 3.594 1.00 35.54 H new ATOM 0 HG2 MET A 24 -4.688 4.987 2.995 1.00 32.10 H new ATOM 0 HG3 MET A 24 -4.357 3.455 3.778 1.00 32.10 H new ATOM 0 HE1 MET A 24 -3.239 4.035 7.154 1.00 70.23 H new ATOM 0 HE2 MET A 24 -2.640 3.321 5.637 1.00 70.23 H new ATOM 0 HE3 MET A 24 -1.849 4.764 6.315 1.00 70.23 H new ATOM 369 N THR A 25 -3.924 7.078 1.522 1.00 25.42 N ATOM 370 CA THR A 25 -4.740 7.759 0.501 1.00 64.22 C ATOM 371 C THR A 25 -3.943 8.920 -0.147 1.00 31.11 C ATOM 372 O THR A 25 -4.066 9.169 -1.354 1.00 11.40 O ATOM 373 CB THR A 25 -6.075 8.287 1.126 1.00 55.42 C ATOM 374 OG1 THR A 25 -6.645 7.264 1.959 1.00 54.33 O ATOM 375 CG2 THR A 25 -7.106 8.690 0.053 1.00 22.01 C ATOM 0 H THR A 25 -4.244 7.234 2.478 1.00 25.42 H new ATOM 0 HA THR A 25 -4.989 7.038 -0.278 1.00 64.22 H new ATOM 0 HB THR A 25 -5.835 9.177 1.708 1.00 55.42 H new ATOM 0 HG1 THR A 25 -7.480 7.591 2.354 1.00 54.33 H new ATOM 0 HG21 THR A 25 -8.014 9.049 0.538 1.00 22.01 H new ATOM 0 HG22 THR A 25 -6.691 9.481 -0.572 1.00 22.01 H new ATOM 0 HG23 THR A 25 -7.343 7.825 -0.567 1.00 22.01 H new ATOM 383 N HIS A 26 -3.109 9.598 0.672 1.00 74.23 N ATOM 384 CA HIS A 26 -2.265 10.732 0.225 1.00 21.31 C ATOM 385 C HIS A 26 -1.225 10.270 -0.818 1.00 2.04 C ATOM 386 O HIS A 26 -1.146 10.839 -1.913 1.00 23.04 O ATOM 387 CB HIS A 26 -1.547 11.417 1.435 1.00 73.34 C ATOM 388 CG HIS A 26 -2.459 12.176 2.378 1.00 15.04 C ATOM 389 ND1 HIS A 26 -1.996 13.085 3.308 1.00 45.53 N ATOM 390 CD2 HIS A 26 -3.806 12.169 2.521 1.00 0.31 C ATOM 391 CE1 HIS A 26 -3.014 13.596 3.972 1.00 52.35 C ATOM 392 NE2 HIS A 26 -4.122 13.057 3.516 1.00 14.13 N ATOM 0 H HIS A 26 -3.001 9.376 1.662 1.00 74.23 H new ATOM 0 HA HIS A 26 -2.924 11.464 -0.242 1.00 21.31 H new ATOM 0 HB2 HIS A 26 -1.017 10.652 2.003 1.00 73.34 H new ATOM 0 HB3 HIS A 26 -0.795 12.105 1.049 1.00 73.34 H new ATOM 0 HD2 HIS A 26 -4.504 11.572 1.954 1.00 0.31 H new ATOM 0 HE1 HIS A 26 -2.948 14.333 4.758 1.00 52.35 H new ATOM 0 HE2 HIS A 26 -5.064 13.265 3.848 1.00 14.13 H new ATOM 401 N VAL A 27 -0.458 9.213 -0.478 1.00 11.34 N ATOM 402 CA VAL A 27 0.626 8.695 -1.340 1.00 74.11 C ATOM 403 C VAL A 27 0.047 8.119 -2.657 1.00 4.33 C ATOM 404 O VAL A 27 0.579 8.352 -3.754 1.00 61.41 O ATOM 405 CB VAL A 27 1.518 7.628 -0.579 1.00 70.11 C ATOM 406 CG1 VAL A 27 2.011 8.191 0.775 1.00 13.21 C ATOM 407 CG2 VAL A 27 0.797 6.272 -0.374 1.00 70.03 C ATOM 0 H VAL A 27 -0.571 8.698 0.395 1.00 11.34 H new ATOM 0 HA VAL A 27 1.279 9.529 -1.596 1.00 74.11 H new ATOM 0 HB VAL A 27 2.378 7.432 -1.219 1.00 70.11 H new ATOM 0 HG11 VAL A 27 2.621 7.442 1.280 1.00 13.21 H new ATOM 0 HG12 VAL A 27 2.607 9.087 0.601 1.00 13.21 H new ATOM 0 HG13 VAL A 27 1.153 8.441 1.399 1.00 13.21 H new ATOM 0 HG21 VAL A 27 1.459 5.584 0.152 1.00 70.03 H new ATOM 0 HG22 VAL A 27 -0.108 6.426 0.214 1.00 70.03 H new ATOM 0 HG23 VAL A 27 0.532 5.850 -1.344 1.00 70.03 H new ATOM 417 N CYS A 28 -1.099 7.431 -2.534 1.00 31.43 N ATOM 418 CA CYS A 28 -1.815 6.850 -3.673 1.00 5.14 C ATOM 419 C CYS A 28 -2.363 7.946 -4.609 1.00 62.41 C ATOM 420 O CYS A 28 -2.425 7.749 -5.828 1.00 44.22 O ATOM 421 CB CYS A 28 -2.941 5.944 -3.153 1.00 34.25 C ATOM 422 SG CYS A 28 -2.343 4.485 -2.269 1.00 4.41 S ATOM 0 H CYS A 28 -1.554 7.263 -1.637 1.00 31.43 H new ATOM 0 HA CYS A 28 -1.120 6.251 -4.262 1.00 5.14 H new ATOM 0 HB2 CYS A 28 -3.585 6.522 -2.490 1.00 34.25 H new ATOM 0 HB3 CYS A 28 -3.556 5.623 -3.994 1.00 34.25 H new ATOM 0 HG CYS A 28 -2.162 4.781 -1.016 1.00 4.41 H new ATOM 428 N GLY A 29 -2.724 9.103 -4.018 1.00 54.44 N ATOM 429 CA GLY A 29 -3.141 10.281 -4.782 1.00 45.35 C ATOM 430 C GLY A 29 -2.007 10.849 -5.629 1.00 22.44 C ATOM 431 O GLY A 29 -2.226 11.226 -6.779 1.00 61.25 O ATOM 0 H GLY A 29 -2.733 9.240 -3.007 1.00 54.44 H new ATOM 0 HA2 GLY A 29 -3.977 10.015 -5.429 1.00 45.35 H new ATOM 0 HA3 GLY A 29 -3.500 11.049 -4.096 1.00 45.35 H new ATOM 435 N LEU A 30 -0.789 10.857 -5.049 1.00 10.21 N ATOM 436 CA LEU A 30 0.451 11.348 -5.698 1.00 72.13 C ATOM 437 C LEU A 30 0.742 10.615 -7.025 1.00 43.21 C ATOM 438 O LEU A 30 0.945 11.244 -8.073 1.00 42.23 O ATOM 439 CB LEU A 30 1.664 11.198 -4.715 1.00 60.55 C ATOM 440 CG LEU A 30 2.070 12.472 -3.917 1.00 0.20 C ATOM 441 CD1 LEU A 30 2.709 13.525 -4.844 1.00 73.45 C ATOM 442 CD2 LEU A 30 0.883 13.070 -3.117 1.00 0.24 C ATOM 0 H LEU A 30 -0.634 10.517 -4.100 1.00 10.21 H new ATOM 0 HA LEU A 30 0.304 12.401 -5.937 1.00 72.13 H new ATOM 0 HB2 LEU A 30 1.430 10.408 -4.001 1.00 60.55 H new ATOM 0 HB3 LEU A 30 2.529 10.864 -5.288 1.00 60.55 H new ATOM 0 HG LEU A 30 2.818 12.166 -3.185 1.00 0.20 H new ATOM 0 HD11 LEU A 30 2.983 14.404 -4.261 1.00 73.45 H new ATOM 0 HD12 LEU A 30 3.601 13.106 -5.310 1.00 73.45 H new ATOM 0 HD13 LEU A 30 1.995 13.810 -5.617 1.00 73.45 H new ATOM 0 HD21 LEU A 30 1.217 13.956 -2.578 1.00 0.24 H new ATOM 0 HD22 LEU A 30 0.082 13.344 -3.804 1.00 0.24 H new ATOM 0 HD23 LEU A 30 0.514 12.331 -2.406 1.00 0.24 H new ATOM 454 N PHE A 31 0.765 9.281 -6.964 1.00 30.04 N ATOM 455 CA PHE A 31 1.143 8.446 -8.130 1.00 32.24 C ATOM 456 C PHE A 31 -0.008 8.311 -9.143 1.00 74.34 C ATOM 457 O PHE A 31 0.238 8.176 -10.349 1.00 42.40 O ATOM 458 CB PHE A 31 1.684 7.080 -7.646 1.00 22.34 C ATOM 459 CG PHE A 31 2.915 7.263 -6.754 1.00 74.04 C ATOM 460 CD1 PHE A 31 4.159 7.569 -7.308 1.00 11.52 C ATOM 461 CD2 PHE A 31 2.816 7.195 -5.365 1.00 65.13 C ATOM 462 CE1 PHE A 31 5.257 7.799 -6.499 1.00 2.32 C ATOM 463 CE2 PHE A 31 3.916 7.419 -4.556 1.00 51.31 C ATOM 464 CZ PHE A 31 5.136 7.720 -5.122 1.00 33.13 C ATOM 0 H PHE A 31 0.529 8.748 -6.127 1.00 30.04 H new ATOM 0 HA PHE A 31 1.945 8.947 -8.672 1.00 32.24 H new ATOM 0 HB2 PHE A 31 0.906 6.551 -7.095 1.00 22.34 H new ATOM 0 HB3 PHE A 31 1.942 6.462 -8.506 1.00 22.34 H new ATOM 0 HD1 PHE A 31 4.265 7.627 -8.381 1.00 11.52 H new ATOM 0 HD2 PHE A 31 1.863 6.963 -4.912 1.00 65.13 H new ATOM 0 HE1 PHE A 31 6.211 8.041 -6.943 1.00 2.32 H new ATOM 0 HE2 PHE A 31 3.819 7.358 -3.482 1.00 51.31 H new ATOM 0 HZ PHE A 31 5.996 7.894 -4.493 1.00 33.13 H new ATOM 474 N ALA A 32 -1.258 8.391 -8.654 1.00 10.21 N ATOM 475 CA ALA A 32 -2.463 8.382 -9.513 1.00 35.33 C ATOM 476 C ALA A 32 -2.558 9.667 -10.370 1.00 52.30 C ATOM 477 O ALA A 32 -2.949 9.611 -11.542 1.00 53.54 O ATOM 478 CB ALA A 32 -3.730 8.217 -8.660 1.00 74.52 C ATOM 0 H ALA A 32 -1.465 8.463 -7.658 1.00 10.21 H new ATOM 0 HA ALA A 32 -2.379 7.533 -10.191 1.00 35.33 H new ATOM 0 HB1 ALA A 32 -4.607 8.212 -9.308 1.00 74.52 H new ATOM 0 HB2 ALA A 32 -3.679 7.276 -8.111 1.00 74.52 H new ATOM 0 HB3 ALA A 32 -3.804 9.045 -7.955 1.00 74.52 H new ATOM 484 N ARG A 33 -2.184 10.820 -9.776 1.00 61.35 N ATOM 485 CA ARG A 33 -2.259 12.140 -10.457 1.00 44.23 C ATOM 486 C ARG A 33 -1.009 12.403 -11.324 1.00 33.32 C ATOM 487 O ARG A 33 -0.966 13.403 -12.051 1.00 41.02 O ATOM 488 CB ARG A 33 -2.434 13.285 -9.417 1.00 21.41 C ATOM 489 CG ARG A 33 -1.176 13.593 -8.578 1.00 15.45 C ATOM 490 CD ARG A 33 -1.405 14.644 -7.478 1.00 31.20 C ATOM 491 NE ARG A 33 -1.770 15.965 -8.033 1.00 63.44 N ATOM 492 CZ ARG A 33 -1.590 17.149 -7.419 1.00 74.25 C ATOM 493 NH1 ARG A 33 -1.037 17.220 -6.210 1.00 4.35 N ATOM 494 NH2 ARG A 33 -1.971 18.263 -8.029 1.00 74.23 N ATOM 0 H ARG A 33 -1.825 10.868 -8.822 1.00 61.35 H new ATOM 0 HA ARG A 33 -3.129 12.119 -11.114 1.00 44.23 H new ATOM 0 HB2 ARG A 33 -2.734 14.192 -9.942 1.00 21.41 H new ATOM 0 HB3 ARG A 33 -3.249 13.023 -8.742 1.00 21.41 H new ATOM 0 HG2 ARG A 33 -0.823 12.670 -8.118 1.00 15.45 H new ATOM 0 HG3 ARG A 33 -0.385 13.942 -9.241 1.00 15.45 H new ATOM 0 HD2 ARG A 33 -2.196 14.302 -6.810 1.00 31.20 H new ATOM 0 HD3 ARG A 33 -0.501 14.742 -6.878 1.00 31.20 H new ATOM 0 HE ARG A 33 -2.194 15.980 -8.960 1.00 63.44 H new ATOM 0 HH11 ARG A 33 -0.742 16.368 -5.733 1.00 4.35 H new ATOM 0 HH12 ARG A 33 -0.909 18.126 -5.760 1.00 4.35 H new ATOM 0 HH21 ARG A 33 -2.396 18.218 -8.955 1.00 74.23 H new ATOM 0 HH22 ARG A 33 -1.839 19.165 -7.572 1.00 74.23 H new ATOM 508 N ARG A 34 0.000 11.509 -11.238 1.00 34.44 N ATOM 509 CA ARG A 34 1.251 11.638 -11.993 1.00 40.13 C ATOM 510 C ARG A 34 0.965 11.440 -13.490 1.00 23.51 C ATOM 511 O ARG A 34 0.972 12.405 -14.254 1.00 44.11 O ATOM 512 CB ARG A 34 2.302 10.610 -11.486 1.00 23.11 C ATOM 513 CG ARG A 34 3.647 10.625 -12.249 1.00 54.43 C ATOM 514 CD ARG A 34 4.596 9.503 -11.794 1.00 42.03 C ATOM 515 NE ARG A 34 4.005 8.158 -12.005 1.00 12.32 N ATOM 516 CZ ARG A 34 4.654 7.091 -12.501 1.00 64.40 C ATOM 517 NH1 ARG A 34 5.925 7.162 -12.863 1.00 63.32 N ATOM 518 NH2 ARG A 34 4.023 5.939 -12.605 1.00 60.50 N ATOM 0 H ARG A 34 -0.036 10.682 -10.643 1.00 34.44 H new ATOM 0 HA ARG A 34 1.664 12.635 -11.842 1.00 40.13 H new ATOM 0 HB2 ARG A 34 2.497 10.802 -10.431 1.00 23.11 H new ATOM 0 HB3 ARG A 34 1.873 9.610 -11.554 1.00 23.11 H new ATOM 0 HG2 ARG A 34 3.456 10.524 -13.317 1.00 54.43 H new ATOM 0 HG3 ARG A 34 4.133 11.589 -12.102 1.00 54.43 H new ATOM 0 HD2 ARG A 34 5.535 9.577 -12.343 1.00 42.03 H new ATOM 0 HD3 ARG A 34 4.833 9.634 -10.738 1.00 42.03 H new ATOM 0 HE ARG A 34 3.025 8.033 -11.753 1.00 12.32 H new ATOM 0 HH11 ARG A 34 6.434 8.041 -12.768 1.00 63.32 H new ATOM 0 HH12 ARG A 34 6.396 6.338 -13.237 1.00 63.32 H new ATOM 0 HH21 ARG A 34 3.050 5.862 -12.310 1.00 60.50 H new ATOM 0 HH22 ARG A 34 4.508 5.124 -12.980 1.00 60.50 H new ATOM 532 N ALA A 35 0.643 10.187 -13.860 1.00 71.44 N ATOM 533 CA ALA A 35 0.363 9.774 -15.252 1.00 53.34 C ATOM 534 C ALA A 35 0.055 8.276 -15.278 1.00 12.35 C ATOM 535 O ALA A 35 -0.999 7.840 -15.757 1.00 74.25 O ATOM 536 CB ALA A 35 1.542 10.095 -16.195 1.00 64.35 C ATOM 0 H ALA A 35 0.568 9.420 -13.192 1.00 71.44 H new ATOM 0 HA ALA A 35 -0.498 10.338 -15.611 1.00 53.34 H new ATOM 0 HB1 ALA A 35 1.295 9.776 -17.208 1.00 64.35 H new ATOM 0 HB2 ALA A 35 1.731 11.168 -16.189 1.00 64.35 H new ATOM 0 HB3 ALA A 35 2.434 9.568 -15.855 1.00 64.35 H new ATOM 542 N PHE A 36 1.001 7.505 -14.731 1.00 13.15 N ATOM 543 CA PHE A 36 0.922 6.039 -14.640 1.00 2.52 C ATOM 544 C PHE A 36 0.821 5.640 -13.155 1.00 63.43 C ATOM 545 O PHE A 36 1.248 6.398 -12.273 1.00 62.30 O ATOM 546 CB PHE A 36 2.175 5.414 -15.322 1.00 23.14 C ATOM 547 CG PHE A 36 2.272 3.883 -15.264 1.00 53.52 C ATOM 548 CD1 PHE A 36 1.444 3.076 -16.045 1.00 5.14 C ATOM 549 CD2 PHE A 36 3.186 3.252 -14.421 1.00 22.53 C ATOM 550 CE1 PHE A 36 1.532 1.696 -15.988 1.00 75.50 C ATOM 551 CE2 PHE A 36 3.273 1.878 -14.364 1.00 20.35 C ATOM 552 CZ PHE A 36 2.445 1.097 -15.145 1.00 32.20 C ATOM 0 H PHE A 36 1.859 7.887 -14.332 1.00 13.15 H new ATOM 0 HA PHE A 36 0.039 5.664 -15.157 1.00 2.52 H new ATOM 0 HB2 PHE A 36 2.187 5.721 -16.368 1.00 23.14 H new ATOM 0 HB3 PHE A 36 3.067 5.834 -14.856 1.00 23.14 H new ATOM 0 HD1 PHE A 36 0.723 3.536 -16.705 1.00 5.14 H new ATOM 0 HD2 PHE A 36 3.837 3.851 -13.802 1.00 22.53 H new ATOM 0 HE1 PHE A 36 0.886 1.088 -16.604 1.00 75.50 H new ATOM 0 HE2 PHE A 36 3.991 1.411 -13.706 1.00 20.35 H new ATOM 0 HZ PHE A 36 2.512 0.020 -15.096 1.00 32.20 H new ATOM 562 N ASN A 37 0.290 4.435 -12.898 1.00 63.05 N ATOM 563 CA ASN A 37 0.037 3.916 -11.538 1.00 4.24 C ATOM 564 C ASN A 37 1.304 3.305 -10.901 1.00 74.13 C ATOM 565 O ASN A 37 2.420 3.458 -11.408 1.00 63.21 O ATOM 566 CB ASN A 37 -1.099 2.853 -11.595 1.00 33.54 C ATOM 567 CG ASN A 37 -2.505 3.419 -11.827 1.00 70.22 C ATOM 568 OD1 ASN A 37 -3.472 2.867 -11.320 1.00 63.04 O ATOM 569 ND2 ASN A 37 -2.640 4.497 -12.594 1.00 3.21 N ATOM 0 H ASN A 37 0.020 3.783 -13.635 1.00 63.05 H new ATOM 0 HA ASN A 37 -0.265 4.754 -10.910 1.00 4.24 H new ATOM 0 HB2 ASN A 37 -0.873 2.144 -12.392 1.00 33.54 H new ATOM 0 HB3 ASN A 37 -1.099 2.293 -10.660 1.00 33.54 H new ATOM 0 HD21 ASN A 37 -3.567 4.883 -12.772 1.00 3.21 H new ATOM 0 HD22 ASN A 37 -1.816 4.937 -13.004 1.00 3.21 H new ATOM 576 N VAL A 38 1.094 2.628 -9.760 1.00 34.01 N ATOM 577 CA VAL A 38 2.137 1.902 -9.015 1.00 41.44 C ATOM 578 C VAL A 38 2.248 0.443 -9.519 1.00 61.11 C ATOM 579 O VAL A 38 1.249 -0.143 -9.969 1.00 75.42 O ATOM 580 CB VAL A 38 1.785 1.907 -7.473 1.00 32.01 C ATOM 581 CG1 VAL A 38 2.825 1.141 -6.634 1.00 35.24 C ATOM 582 CG2 VAL A 38 1.620 3.347 -6.944 1.00 1.31 C ATOM 0 H VAL A 38 0.176 2.569 -9.320 1.00 34.01 H new ATOM 0 HA VAL A 38 3.094 2.400 -9.175 1.00 41.44 H new ATOM 0 HB VAL A 38 0.833 1.386 -7.368 1.00 32.01 H new ATOM 0 HG11 VAL A 38 2.539 1.173 -5.583 1.00 35.24 H new ATOM 0 HG12 VAL A 38 2.869 0.104 -6.967 1.00 35.24 H new ATOM 0 HG13 VAL A 38 3.804 1.603 -6.758 1.00 35.24 H new ATOM 0 HG21 VAL A 38 1.378 3.319 -5.881 1.00 1.31 H new ATOM 0 HG22 VAL A 38 2.550 3.897 -7.090 1.00 1.31 H new ATOM 0 HG23 VAL A 38 0.815 3.844 -7.486 1.00 1.31 H new ATOM 592 N GLU A 39 3.472 -0.122 -9.457 1.00 53.14 N ATOM 593 CA GLU A 39 3.708 -1.560 -9.669 1.00 41.51 C ATOM 594 C GLU A 39 3.320 -2.328 -8.389 1.00 11.13 C ATOM 595 O GLU A 39 2.383 -3.137 -8.392 1.00 11.30 O ATOM 596 CB GLU A 39 5.200 -1.820 -10.038 1.00 11.42 C ATOM 597 CG GLU A 39 5.545 -3.283 -10.391 1.00 55.23 C ATOM 598 CD GLU A 39 4.864 -3.769 -11.688 1.00 14.22 C ATOM 599 OE1 GLU A 39 3.708 -4.245 -11.639 1.00 64.44 O ATOM 600 OE2 GLU A 39 5.474 -3.641 -12.771 1.00 11.23 O ATOM 0 H GLU A 39 4.321 0.407 -9.259 1.00 53.14 H new ATOM 0 HA GLU A 39 3.094 -1.911 -10.499 1.00 41.51 H new ATOM 0 HB2 GLU A 39 5.464 -1.187 -10.885 1.00 11.42 H new ATOM 0 HB3 GLU A 39 5.824 -1.508 -9.201 1.00 11.42 H new ATOM 0 HG2 GLU A 39 6.626 -3.380 -10.497 1.00 55.23 H new ATOM 0 HG3 GLU A 39 5.246 -3.930 -9.566 1.00 55.23 H new ATOM 607 N GLY A 40 4.021 -2.009 -7.280 1.00 45.33 N ATOM 608 CA GLY A 40 3.814 -2.684 -5.993 1.00 65.33 C ATOM 609 C GLY A 40 4.056 -1.758 -4.810 1.00 60.30 C ATOM 610 O GLY A 40 4.895 -0.864 -4.886 1.00 13.04 O ATOM 0 H GLY A 40 4.738 -1.283 -7.257 1.00 45.33 H new ATOM 0 HA2 GLY A 40 2.796 -3.070 -5.947 1.00 65.33 H new ATOM 0 HA3 GLY A 40 4.483 -3.542 -5.923 1.00 65.33 H new ATOM 614 N ILE A 41 3.303 -1.961 -3.716 1.00 65.21 N ATOM 615 CA ILE A 41 3.393 -1.126 -2.496 1.00 64.22 C ATOM 616 C ILE A 41 3.885 -1.994 -1.334 1.00 73.42 C ATOM 617 O ILE A 41 3.388 -3.114 -1.144 1.00 35.14 O ATOM 618 CB ILE A 41 1.992 -0.501 -2.102 1.00 33.31 C ATOM 619 CG1 ILE A 41 1.325 0.202 -3.326 1.00 22.33 C ATOM 620 CG2 ILE A 41 2.124 0.481 -0.903 1.00 62.04 C ATOM 621 CD1 ILE A 41 -0.104 0.652 -3.084 1.00 0.32 C ATOM 0 H ILE A 41 2.612 -2.709 -3.648 1.00 65.21 H new ATOM 0 HA ILE A 41 4.086 -0.309 -2.700 1.00 64.22 H new ATOM 0 HB ILE A 41 1.345 -1.321 -1.789 1.00 33.31 H new ATOM 0 HG12 ILE A 41 1.925 1.069 -3.604 1.00 22.33 H new ATOM 0 HG13 ILE A 41 1.340 -0.481 -4.175 1.00 22.33 H new ATOM 0 HG21 ILE A 41 1.144 0.891 -0.659 1.00 62.04 H new ATOM 0 HG22 ILE A 41 2.520 -0.052 -0.038 1.00 62.04 H new ATOM 0 HG23 ILE A 41 2.801 1.292 -1.170 1.00 62.04 H new ATOM 0 HD11 ILE A 41 -0.492 1.130 -3.983 1.00 0.32 H new ATOM 0 HD12 ILE A 41 -0.721 -0.212 -2.837 1.00 0.32 H new ATOM 0 HD13 ILE A 41 -0.127 1.362 -2.257 1.00 0.32 H new ATOM 633 N LEU A 42 4.841 -1.477 -0.551 1.00 21.52 N ATOM 634 CA LEU A 42 5.321 -2.158 0.655 1.00 14.33 C ATOM 635 C LEU A 42 5.316 -1.180 1.831 1.00 65.53 C ATOM 636 O LEU A 42 6.309 -0.507 2.104 1.00 61.12 O ATOM 637 CB LEU A 42 6.730 -2.754 0.399 1.00 72.01 C ATOM 638 CG LEU A 42 7.347 -3.593 1.557 1.00 1.30 C ATOM 639 CD1 LEU A 42 6.415 -4.740 1.990 1.00 1.14 C ATOM 640 CD2 LEU A 42 8.725 -4.134 1.152 1.00 12.55 C ATOM 0 H LEU A 42 5.298 -0.584 -0.734 1.00 21.52 H new ATOM 0 HA LEU A 42 4.657 -2.985 0.907 1.00 14.33 H new ATOM 0 HB2 LEU A 42 6.679 -3.384 -0.489 1.00 72.01 H new ATOM 0 HB3 LEU A 42 7.411 -1.935 0.170 1.00 72.01 H new ATOM 0 HG LEU A 42 7.469 -2.933 2.416 1.00 1.30 H new ATOM 0 HD11 LEU A 42 6.881 -5.302 2.800 1.00 1.14 H new ATOM 0 HD12 LEU A 42 5.466 -4.328 2.334 1.00 1.14 H new ATOM 0 HD13 LEU A 42 6.237 -5.403 1.144 1.00 1.14 H new ATOM 0 HD21 LEU A 42 9.142 -4.718 1.972 1.00 12.55 H new ATOM 0 HD22 LEU A 42 8.623 -4.768 0.271 1.00 12.55 H new ATOM 0 HD23 LEU A 42 9.390 -3.301 0.924 1.00 12.55 H new ATOM 652 N CYS A 43 4.165 -1.093 2.506 1.00 75.42 N ATOM 653 CA CYS A 43 3.984 -0.261 3.698 1.00 73.53 C ATOM 654 C CYS A 43 4.295 -1.112 4.930 1.00 54.11 C ATOM 655 O CYS A 43 3.445 -1.872 5.412 1.00 22.24 O ATOM 656 CB CYS A 43 2.549 0.301 3.734 1.00 52.22 C ATOM 657 SG CYS A 43 2.166 1.369 5.138 1.00 1.04 S ATOM 0 H CYS A 43 3.325 -1.604 2.236 1.00 75.42 H new ATOM 0 HA CYS A 43 4.662 0.592 3.681 1.00 73.53 H new ATOM 0 HB2 CYS A 43 2.374 0.861 2.816 1.00 52.22 H new ATOM 0 HB3 CYS A 43 1.850 -0.535 3.735 1.00 52.22 H new ATOM 0 HG CYS A 43 0.934 1.776 5.051 1.00 1.04 H new ATOM 663 N LEU A 44 5.553 -1.027 5.372 1.00 61.40 N ATOM 664 CA LEU A 44 6.099 -1.826 6.476 1.00 55.20 C ATOM 665 C LEU A 44 5.895 -1.067 7.806 1.00 61.45 C ATOM 666 O LEU A 44 6.575 -0.051 8.034 1.00 21.35 O ATOM 667 CB LEU A 44 7.607 -2.060 6.227 1.00 65.31 C ATOM 668 CG LEU A 44 8.353 -3.014 7.225 1.00 4.41 C ATOM 669 CD1 LEU A 44 8.222 -4.493 6.806 1.00 52.31 C ATOM 670 CD2 LEU A 44 9.832 -2.605 7.385 1.00 51.00 C ATOM 0 H LEU A 44 6.236 -0.388 4.965 1.00 61.40 H new ATOM 0 HA LEU A 44 5.587 -2.787 6.533 1.00 55.20 H new ATOM 0 HB2 LEU A 44 7.726 -2.462 5.221 1.00 65.31 H new ATOM 0 HB3 LEU A 44 8.108 -1.092 6.245 1.00 65.31 H new ATOM 0 HG LEU A 44 7.871 -2.910 8.197 1.00 4.41 H new ATOM 0 HD11 LEU A 44 8.752 -5.122 7.521 1.00 52.31 H new ATOM 0 HD12 LEU A 44 7.169 -4.774 6.786 1.00 52.31 H new ATOM 0 HD13 LEU A 44 8.653 -4.630 5.814 1.00 52.31 H new ATOM 0 HD21 LEU A 44 10.324 -3.283 8.082 1.00 51.00 H new ATOM 0 HD22 LEU A 44 10.330 -2.656 6.417 1.00 51.00 H new ATOM 0 HD23 LEU A 44 9.888 -1.587 7.769 1.00 51.00 H new ATOM 682 N PRO A 45 4.959 -1.523 8.694 1.00 20.24 N ATOM 683 CA PRO A 45 4.685 -0.841 9.976 1.00 24.15 C ATOM 684 C PRO A 45 5.848 -1.009 10.975 1.00 21.41 C ATOM 685 O PRO A 45 6.392 -2.112 11.151 1.00 64.22 O ATOM 686 CB PRO A 45 3.397 -1.528 10.479 1.00 44.33 C ATOM 687 CG PRO A 45 3.418 -2.895 9.868 1.00 22.01 C ATOM 688 CD PRO A 45 4.103 -2.734 8.526 1.00 31.02 C ATOM 0 HA PRO A 45 4.573 0.237 9.863 1.00 24.15 H new ATOM 0 HB2 PRO A 45 3.379 -1.583 11.567 1.00 44.33 H new ATOM 0 HB3 PRO A 45 2.510 -0.974 10.174 1.00 44.33 H new ATOM 0 HG2 PRO A 45 3.958 -3.599 10.501 1.00 22.01 H new ATOM 0 HG3 PRO A 45 2.408 -3.286 9.747 1.00 22.01 H new ATOM 0 HD2 PRO A 45 4.699 -3.611 8.276 1.00 31.02 H new ATOM 0 HD3 PRO A 45 3.378 -2.601 7.723 1.00 31.02 H new ATOM 696 N ILE A 46 6.228 0.101 11.604 1.00 35.42 N ATOM 697 CA ILE A 46 7.326 0.147 12.570 1.00 75.34 C ATOM 698 C ILE A 46 6.749 0.074 13.988 1.00 40.44 C ATOM 699 O ILE A 46 5.969 0.932 14.384 1.00 4.02 O ATOM 700 CB ILE A 46 8.179 1.455 12.379 1.00 15.32 C ATOM 701 CG1 ILE A 46 8.679 1.568 10.903 1.00 32.32 C ATOM 702 CG2 ILE A 46 9.363 1.522 13.370 1.00 44.40 C ATOM 703 CD1 ILE A 46 9.524 0.395 10.400 1.00 62.33 C ATOM 0 H ILE A 46 5.778 1.004 11.456 1.00 35.42 H new ATOM 0 HA ILE A 46 7.987 -0.704 12.408 1.00 75.34 H new ATOM 0 HB ILE A 46 7.533 2.306 12.595 1.00 15.32 H new ATOM 0 HG12 ILE A 46 7.812 1.674 10.251 1.00 32.32 H new ATOM 0 HG13 ILE A 46 9.264 2.482 10.805 1.00 32.32 H new ATOM 0 HG21 ILE A 46 9.925 2.441 13.203 1.00 44.40 H new ATOM 0 HG22 ILE A 46 8.983 1.509 14.392 1.00 44.40 H new ATOM 0 HG23 ILE A 46 10.016 0.664 13.215 1.00 44.40 H new ATOM 0 HD11 ILE A 46 9.818 0.575 9.366 1.00 62.33 H new ATOM 0 HD12 ILE A 46 10.416 0.297 11.019 1.00 62.33 H new ATOM 0 HD13 ILE A 46 8.941 -0.524 10.456 1.00 62.33 H new ATOM 715 N GLN A 47 7.112 -0.988 14.715 1.00 34.21 N ATOM 716 CA GLN A 47 6.703 -1.196 16.124 1.00 24.30 C ATOM 717 C GLN A 47 7.526 -0.317 17.082 1.00 63.42 C ATOM 718 O GLN A 47 7.081 -0.001 18.193 1.00 5.51 O ATOM 719 CB GLN A 47 6.865 -2.693 16.501 1.00 34.03 C ATOM 720 CG GLN A 47 8.291 -3.254 16.312 1.00 12.14 C ATOM 721 CD GLN A 47 8.398 -4.744 16.632 1.00 45.40 C ATOM 722 OE1 GLN A 47 8.686 -5.129 17.765 1.00 74.22 O ATOM 723 NE2 GLN A 47 8.144 -5.592 15.642 1.00 52.40 N ATOM 0 H GLN A 47 7.701 -1.736 14.348 1.00 34.21 H new ATOM 0 HA GLN A 47 5.657 -0.907 16.222 1.00 24.30 H new ATOM 0 HB2 GLN A 47 6.572 -2.825 17.543 1.00 34.03 H new ATOM 0 HB3 GLN A 47 6.174 -3.283 15.898 1.00 34.03 H new ATOM 0 HG2 GLN A 47 8.607 -3.086 15.282 1.00 12.14 H new ATOM 0 HG3 GLN A 47 8.980 -2.701 16.951 1.00 12.14 H new ATOM 0 HE21 GLN A 47 7.908 -5.238 14.715 1.00 52.40 H new ATOM 0 HE22 GLN A 47 8.184 -6.597 15.809 1.00 52.40 H new ATOM 732 N ASP A 48 8.734 0.052 16.627 1.00 43.33 N ATOM 733 CA ASP A 48 9.707 0.836 17.404 1.00 14.45 C ATOM 734 C ASP A 48 9.171 2.250 17.720 1.00 75.33 C ATOM 735 O ASP A 48 9.330 2.759 18.835 1.00 43.23 O ATOM 736 CB ASP A 48 11.045 0.898 16.609 1.00 25.10 C ATOM 737 CG ASP A 48 12.071 1.897 17.170 1.00 72.45 C ATOM 738 OD1 ASP A 48 12.754 1.569 18.162 1.00 33.24 O ATOM 739 OD2 ASP A 48 12.204 3.015 16.612 1.00 61.23 O ATOM 0 H ASP A 48 9.067 -0.190 15.694 1.00 43.33 H new ATOM 0 HA ASP A 48 9.879 0.350 18.364 1.00 14.45 H new ATOM 0 HB2 ASP A 48 11.493 -0.096 16.597 1.00 25.10 H new ATOM 0 HB3 ASP A 48 10.827 1.162 15.574 1.00 25.10 H new ATOM 744 N SER A 49 8.531 2.860 16.723 1.00 73.32 N ATOM 745 CA SER A 49 7.940 4.212 16.824 1.00 72.41 C ATOM 746 C SER A 49 6.690 4.275 15.937 1.00 41.50 C ATOM 747 O SER A 49 6.550 3.448 15.035 1.00 71.40 O ATOM 748 CB SER A 49 8.971 5.280 16.384 1.00 1.03 C ATOM 749 OG SER A 49 10.142 5.244 17.192 1.00 32.52 O ATOM 0 H SER A 49 8.402 2.431 15.807 1.00 73.32 H new ATOM 0 HA SER A 49 7.662 4.416 17.858 1.00 72.41 H new ATOM 0 HB2 SER A 49 9.243 5.116 15.341 1.00 1.03 H new ATOM 0 HB3 SER A 49 8.518 6.270 16.443 1.00 1.03 H new ATOM 0 HG SER A 49 10.710 4.496 16.911 1.00 32.52 H new ATOM 755 N ASP A 50 5.788 5.253 16.188 1.00 12.32 N ATOM 756 CA ASP A 50 4.547 5.433 15.398 1.00 42.31 C ATOM 757 C ASP A 50 4.895 5.885 13.958 1.00 44.20 C ATOM 758 O ASP A 50 4.832 7.062 13.609 1.00 64.13 O ATOM 759 CB ASP A 50 3.561 6.424 16.119 1.00 3.24 C ATOM 760 CG ASP A 50 4.109 7.860 16.327 1.00 21.23 C ATOM 761 OD1 ASP A 50 5.094 8.025 17.069 1.00 54.21 O ATOM 762 OD2 ASP A 50 3.575 8.827 15.724 1.00 73.52 O ATOM 0 H ASP A 50 5.899 5.935 16.938 1.00 12.32 H new ATOM 0 HA ASP A 50 4.028 4.478 15.324 1.00 42.31 H new ATOM 0 HB2 ASP A 50 2.641 6.483 15.538 1.00 3.24 H new ATOM 0 HB3 ASP A 50 3.298 6.007 17.091 1.00 3.24 H new ATOM 767 N LYS A 51 5.315 4.909 13.133 1.00 60.13 N ATOM 768 CA LYS A 51 5.872 5.136 11.786 1.00 52.11 C ATOM 769 C LYS A 51 5.574 3.925 10.889 1.00 25.43 C ATOM 770 O LYS A 51 5.132 2.872 11.362 1.00 31.40 O ATOM 771 CB LYS A 51 7.425 5.367 11.841 1.00 52.22 C ATOM 772 CG LYS A 51 7.877 6.642 12.587 1.00 32.51 C ATOM 773 CD LYS A 51 9.413 6.750 12.724 1.00 11.55 C ATOM 774 CE LYS A 51 9.831 7.973 13.563 1.00 64.23 C ATOM 775 NZ LYS A 51 11.305 8.067 13.736 1.00 74.11 N ATOM 0 H LYS A 51 5.276 3.922 13.388 1.00 60.13 H new ATOM 0 HA LYS A 51 5.403 6.031 11.376 1.00 52.11 H new ATOM 0 HB2 LYS A 51 7.887 4.503 12.319 1.00 52.22 H new ATOM 0 HB3 LYS A 51 7.806 5.409 10.821 1.00 52.22 H new ATOM 0 HG2 LYS A 51 7.503 7.518 12.057 1.00 32.51 H new ATOM 0 HG3 LYS A 51 7.428 6.654 13.580 1.00 32.51 H new ATOM 0 HD2 LYS A 51 9.801 5.843 13.187 1.00 11.55 H new ATOM 0 HD3 LYS A 51 9.862 6.819 11.733 1.00 11.55 H new ATOM 0 HE2 LYS A 51 9.466 8.881 13.083 1.00 64.23 H new ATOM 0 HE3 LYS A 51 9.356 7.917 14.543 1.00 64.23 H new ATOM 0 HZ1 LYS A 51 11.535 8.905 14.307 1.00 74.11 H new ATOM 0 HZ2 LYS A 51 11.653 7.214 14.218 1.00 74.11 H new ATOM 0 HZ3 LYS A 51 11.759 8.148 12.804 1.00 74.11 H new ATOM 789 N SER A 52 5.844 4.105 9.597 1.00 52.12 N ATOM 790 CA SER A 52 5.753 3.075 8.575 1.00 72.21 C ATOM 791 C SER A 52 6.615 3.515 7.380 1.00 14.32 C ATOM 792 O SER A 52 6.458 4.638 6.888 1.00 22.13 O ATOM 793 CB SER A 52 4.286 2.854 8.133 1.00 50.42 C ATOM 794 OG SER A 52 4.184 1.775 7.215 1.00 23.15 O ATOM 0 H SER A 52 6.143 5.006 9.224 1.00 52.12 H new ATOM 0 HA SER A 52 6.114 2.128 8.975 1.00 72.21 H new ATOM 0 HB2 SER A 52 3.667 2.652 9.007 1.00 50.42 H new ATOM 0 HB3 SER A 52 3.901 3.764 7.673 1.00 50.42 H new ATOM 0 HG SER A 52 3.293 1.777 6.806 1.00 23.15 H new ATOM 800 N HIS A 53 7.549 2.661 6.940 1.00 42.12 N ATOM 801 CA HIS A 53 8.381 2.946 5.753 1.00 51.21 C ATOM 802 C HIS A 53 7.734 2.285 4.534 1.00 1.14 C ATOM 803 O HIS A 53 7.559 1.066 4.516 1.00 10.22 O ATOM 804 CB HIS A 53 9.827 2.425 5.935 1.00 25.01 C ATOM 805 CG HIS A 53 10.630 3.123 7.004 1.00 23.14 C ATOM 806 ND1 HIS A 53 11.828 3.758 6.757 1.00 1.24 N ATOM 807 CD2 HIS A 53 10.428 3.238 8.332 1.00 71.23 C ATOM 808 CE1 HIS A 53 12.323 4.213 7.884 1.00 63.34 C ATOM 809 NE2 HIS A 53 11.495 3.913 8.857 1.00 75.23 N ATOM 0 H HIS A 53 7.751 1.766 7.385 1.00 42.12 H new ATOM 0 HA HIS A 53 8.439 4.025 5.613 1.00 51.21 H new ATOM 0 HB2 HIS A 53 9.786 1.361 6.170 1.00 25.01 H new ATOM 0 HB3 HIS A 53 10.354 2.522 4.986 1.00 25.01 H new ATOM 0 HD2 HIS A 53 9.577 2.864 8.882 1.00 71.23 H new ATOM 0 HE1 HIS A 53 13.256 4.746 7.993 1.00 63.34 H new ATOM 0 HE2 HIS A 53 11.626 4.145 9.842 1.00 75.23 H new ATOM 818 N ILE A 54 7.354 3.089 3.534 1.00 22.32 N ATOM 819 CA ILE A 54 6.739 2.586 2.299 1.00 62.05 C ATOM 820 C ILE A 54 7.812 2.536 1.211 1.00 74.51 C ATOM 821 O ILE A 54 8.299 3.579 0.788 1.00 71.24 O ATOM 822 CB ILE A 54 5.512 3.456 1.787 1.00 43.11 C ATOM 823 CG1 ILE A 54 4.329 3.490 2.813 1.00 64.53 C ATOM 824 CG2 ILE A 54 4.999 2.939 0.412 1.00 41.42 C ATOM 825 CD1 ILE A 54 4.599 4.251 4.093 1.00 60.25 C ATOM 0 H ILE A 54 7.463 4.103 3.557 1.00 22.32 H new ATOM 0 HA ILE A 54 6.337 1.597 2.521 1.00 62.05 H new ATOM 0 HB ILE A 54 5.883 4.475 1.676 1.00 43.11 H new ATOM 0 HG12 ILE A 54 3.460 3.931 2.325 1.00 64.53 H new ATOM 0 HG13 ILE A 54 4.064 2.464 3.070 1.00 64.53 H new ATOM 0 HG21 ILE A 54 4.159 3.551 0.083 1.00 41.42 H new ATOM 0 HG22 ILE A 54 5.802 3.000 -0.322 1.00 41.42 H new ATOM 0 HG23 ILE A 54 4.676 1.903 0.510 1.00 41.42 H new ATOM 0 HD11 ILE A 54 3.717 4.212 4.732 1.00 60.25 H new ATOM 0 HD12 ILE A 54 5.444 3.800 4.613 1.00 60.25 H new ATOM 0 HD13 ILE A 54 4.831 5.290 3.857 1.00 60.25 H new ATOM 837 N TRP A 55 8.193 1.321 0.786 1.00 22.43 N ATOM 838 CA TRP A 55 8.986 1.122 -0.428 1.00 24.34 C ATOM 839 C TRP A 55 7.998 0.990 -1.591 1.00 75.34 C ATOM 840 O TRP A 55 7.329 -0.042 -1.765 1.00 32.03 O ATOM 841 CB TRP A 55 9.901 -0.121 -0.308 1.00 32.04 C ATOM 842 CG TRP A 55 11.025 0.037 0.701 1.00 64.42 C ATOM 843 CD1 TRP A 55 12.310 0.429 0.457 1.00 30.22 C ATOM 844 CD2 TRP A 55 10.958 -0.206 2.107 1.00 40.34 C ATOM 845 NE1 TRP A 55 13.044 0.418 1.613 1.00 15.23 N ATOM 846 CE2 TRP A 55 12.238 0.038 2.643 1.00 73.44 C ATOM 847 CE3 TRP A 55 9.946 -0.613 2.961 1.00 64.21 C ATOM 848 CZ2 TRP A 55 12.529 -0.119 3.994 1.00 44.20 C ATOM 849 CZ3 TRP A 55 10.238 -0.764 4.295 1.00 60.12 C ATOM 850 CH2 TRP A 55 11.518 -0.518 4.805 1.00 52.41 C ATOM 0 H TRP A 55 7.960 0.456 1.274 1.00 22.43 H new ATOM 0 HA TRP A 55 9.654 1.967 -0.594 1.00 24.34 H new ATOM 0 HB2 TRP A 55 9.293 -0.982 -0.028 1.00 32.04 H new ATOM 0 HB3 TRP A 55 10.331 -0.339 -1.285 1.00 32.04 H new ATOM 0 HD1 TRP A 55 12.694 0.709 -0.513 1.00 30.22 H new ATOM 0 HE1 TRP A 55 14.033 0.656 1.690 1.00 15.23 H new ATOM 0 HE3 TRP A 55 8.951 -0.807 2.587 1.00 64.21 H new ATOM 0 HZ2 TRP A 55 13.519 0.069 4.381 1.00 44.20 H new ATOM 0 HZ3 TRP A 55 9.457 -1.082 4.970 1.00 60.12 H new ATOM 0 HH2 TRP A 55 11.703 -0.648 5.861 1.00 52.41 H new ATOM 861 N LEU A 56 7.853 2.092 -2.315 1.00 3.11 N ATOM 862 CA LEU A 56 6.881 2.245 -3.388 1.00 63.22 C ATOM 863 C LEU A 56 7.580 1.936 -4.728 1.00 51.33 C ATOM 864 O LEU A 56 8.456 2.687 -5.164 1.00 45.30 O ATOM 865 CB LEU A 56 6.313 3.704 -3.324 1.00 65.32 C ATOM 866 CG LEU A 56 4.940 3.987 -4.027 1.00 60.12 C ATOM 867 CD1 LEU A 56 5.034 3.920 -5.566 1.00 34.55 C ATOM 868 CD2 LEU A 56 3.829 3.058 -3.488 1.00 54.34 C ATOM 0 H LEU A 56 8.423 2.925 -2.168 1.00 3.11 H new ATOM 0 HA LEU A 56 6.044 1.554 -3.288 1.00 63.22 H new ATOM 0 HB2 LEU A 56 6.214 3.979 -2.274 1.00 65.32 H new ATOM 0 HB3 LEU A 56 7.056 4.372 -3.760 1.00 65.32 H new ATOM 0 HG LEU A 56 4.670 5.013 -3.778 1.00 60.12 H new ATOM 0 HD11 LEU A 56 4.055 4.124 -6.000 1.00 34.55 H new ATOM 0 HD12 LEU A 56 5.749 4.663 -5.920 1.00 34.55 H new ATOM 0 HD13 LEU A 56 5.364 2.926 -5.867 1.00 34.55 H new ATOM 0 HD21 LEU A 56 2.891 3.280 -3.996 1.00 54.34 H new ATOM 0 HD22 LEU A 56 4.103 2.019 -3.671 1.00 54.34 H new ATOM 0 HD23 LEU A 56 3.708 3.219 -2.417 1.00 54.34 H new ATOM 880 N LEU A 57 7.181 0.828 -5.359 1.00 75.25 N ATOM 881 CA LEU A 57 7.732 0.374 -6.647 1.00 40.30 C ATOM 882 C LEU A 57 6.926 1.023 -7.768 1.00 53.04 C ATOM 883 O LEU A 57 5.752 0.700 -7.948 1.00 22.03 O ATOM 884 CB LEU A 57 7.668 -1.179 -6.769 1.00 22.31 C ATOM 885 CG LEU A 57 8.806 -1.993 -6.073 1.00 73.42 C ATOM 886 CD1 LEU A 57 8.942 -1.665 -4.571 1.00 52.32 C ATOM 887 CD2 LEU A 57 8.604 -3.507 -6.310 1.00 13.11 C ATOM 0 H LEU A 57 6.458 0.211 -4.989 1.00 75.25 H new ATOM 0 HA LEU A 57 8.780 0.665 -6.715 1.00 40.30 H new ATOM 0 HB2 LEU A 57 6.714 -1.512 -6.359 1.00 22.31 H new ATOM 0 HB3 LEU A 57 7.667 -1.436 -7.828 1.00 22.31 H new ATOM 0 HG LEU A 57 9.748 -1.692 -6.531 1.00 73.42 H new ATOM 0 HD11 LEU A 57 9.747 -2.260 -4.140 1.00 52.32 H new ATOM 0 HD12 LEU A 57 9.168 -0.606 -4.449 1.00 52.32 H new ATOM 0 HD13 LEU A 57 8.007 -1.898 -4.062 1.00 52.32 H new ATOM 0 HD21 LEU A 57 9.404 -4.062 -5.820 1.00 13.11 H new ATOM 0 HD22 LEU A 57 7.643 -3.815 -5.898 1.00 13.11 H new ATOM 0 HD23 LEU A 57 8.622 -3.713 -7.380 1.00 13.11 H new ATOM 899 N VAL A 58 7.560 1.944 -8.493 1.00 5.43 N ATOM 900 CA VAL A 58 6.929 2.692 -9.593 1.00 5.14 C ATOM 901 C VAL A 58 8.008 3.034 -10.630 1.00 40.33 C ATOM 902 O VAL A 58 9.150 3.209 -10.258 1.00 61.53 O ATOM 903 CB VAL A 58 6.249 4.007 -9.042 1.00 31.32 C ATOM 904 CG1 VAL A 58 7.283 5.038 -8.519 1.00 32.11 C ATOM 905 CG2 VAL A 58 5.295 4.632 -10.072 1.00 1.32 C ATOM 0 H VAL A 58 8.535 2.198 -8.336 1.00 5.43 H new ATOM 0 HA VAL A 58 6.152 2.086 -10.059 1.00 5.14 H new ATOM 0 HB VAL A 58 5.649 3.706 -8.183 1.00 31.32 H new ATOM 0 HG11 VAL A 58 6.762 5.922 -8.152 1.00 32.11 H new ATOM 0 HG12 VAL A 58 7.860 4.595 -7.708 1.00 32.11 H new ATOM 0 HG13 VAL A 58 7.955 5.323 -9.329 1.00 32.11 H new ATOM 0 HG21 VAL A 58 4.848 5.534 -9.654 1.00 1.32 H new ATOM 0 HG22 VAL A 58 5.850 4.887 -10.975 1.00 1.32 H new ATOM 0 HG23 VAL A 58 4.509 3.919 -10.319 1.00 1.32 H new ATOM 915 N ASN A 59 7.663 3.128 -11.918 1.00 3.23 N ATOM 916 CA ASN A 59 8.656 3.462 -12.968 1.00 32.01 C ATOM 917 C ASN A 59 9.117 4.932 -12.833 1.00 34.43 C ATOM 918 O ASN A 59 8.332 5.792 -12.414 1.00 53.31 O ATOM 919 CB ASN A 59 8.074 3.199 -14.380 1.00 4.43 C ATOM 920 CG ASN A 59 6.877 4.087 -14.739 1.00 43.15 C ATOM 921 OD1 ASN A 59 6.071 4.451 -13.882 1.00 31.35 O ATOM 922 ND2 ASN A 59 6.760 4.450 -15.997 1.00 2.44 N ATOM 0 H ASN A 59 6.715 2.981 -12.266 1.00 3.23 H new ATOM 0 HA ASN A 59 9.524 2.816 -12.833 1.00 32.01 H new ATOM 0 HB2 ASN A 59 8.860 3.351 -15.119 1.00 4.43 H new ATOM 0 HB3 ASN A 59 7.771 2.154 -14.447 1.00 4.43 H new ATOM 0 HD21 ASN A 59 5.986 5.049 -16.285 1.00 2.44 H new ATOM 0 HD22 ASN A 59 7.443 4.133 -16.685 1.00 2.44 H new ATOM 929 N ASP A 60 10.393 5.203 -13.175 1.00 61.11 N ATOM 930 CA ASP A 60 10.936 6.579 -13.189 1.00 60.53 C ATOM 931 C ASP A 60 10.243 7.395 -14.297 1.00 35.23 C ATOM 932 O ASP A 60 9.925 6.864 -15.365 1.00 35.45 O ATOM 933 CB ASP A 60 12.482 6.575 -13.365 1.00 2.01 C ATOM 934 CG ASP A 60 12.953 6.011 -14.719 1.00 4.02 C ATOM 935 OD1 ASP A 60 12.889 4.780 -14.912 1.00 64.24 O ATOM 936 OD2 ASP A 60 13.389 6.798 -15.588 1.00 73.10 O ATOM 0 H ASP A 60 11.068 4.488 -13.445 1.00 61.11 H new ATOM 0 HA ASP A 60 10.730 7.050 -12.228 1.00 60.53 H new ATOM 0 HB2 ASP A 60 12.853 7.594 -13.258 1.00 2.01 H new ATOM 0 HB3 ASP A 60 12.928 5.988 -12.562 1.00 2.01 H new ATOM 941 N ASP A 61 10.005 8.680 -14.027 1.00 14.02 N ATOM 942 CA ASP A 61 9.126 9.527 -14.856 1.00 53.30 C ATOM 943 C ASP A 61 9.692 10.954 -14.927 1.00 62.44 C ATOM 944 O ASP A 61 10.547 11.329 -14.111 1.00 72.33 O ATOM 945 CB ASP A 61 7.703 9.519 -14.231 1.00 43.23 C ATOM 946 CG ASP A 61 6.585 9.940 -15.189 1.00 42.12 C ATOM 947 OD1 ASP A 61 6.023 9.068 -15.861 1.00 14.01 O ATOM 948 OD2 ASP A 61 6.262 11.132 -15.259 1.00 22.41 O ATOM 0 H ASP A 61 10.413 9.168 -13.230 1.00 14.02 H new ATOM 0 HA ASP A 61 9.072 9.140 -15.873 1.00 53.30 H new ATOM 0 HB2 ASP A 61 7.488 8.516 -13.861 1.00 43.23 H new ATOM 0 HB3 ASP A 61 7.695 10.186 -13.369 1.00 43.23 H new ATOM 953 N GLN A 62 9.189 11.750 -15.884 1.00 34.54 N ATOM 954 CA GLN A 62 9.537 13.183 -16.014 1.00 4.01 C ATOM 955 C GLN A 62 8.912 14.003 -14.870 1.00 20.01 C ATOM 956 O GLN A 62 9.421 15.052 -14.501 1.00 12.14 O ATOM 957 CB GLN A 62 9.060 13.722 -17.383 1.00 12.51 C ATOM 958 CG GLN A 62 9.707 13.008 -18.588 1.00 62.13 C ATOM 959 CD GLN A 62 9.228 13.509 -19.952 1.00 40.04 C ATOM 960 OE1 GLN A 62 8.872 14.675 -20.121 1.00 24.51 O ATOM 961 NE2 GLN A 62 9.215 12.627 -20.939 1.00 23.24 N ATOM 0 H GLN A 62 8.530 11.423 -16.591 1.00 34.54 H new ATOM 0 HA GLN A 62 10.621 13.282 -15.952 1.00 4.01 H new ATOM 0 HB2 GLN A 62 7.977 13.617 -17.448 1.00 12.51 H new ATOM 0 HB3 GLN A 62 9.281 14.788 -17.441 1.00 12.51 H new ATOM 0 HG2 GLN A 62 10.789 13.130 -18.529 1.00 62.13 H new ATOM 0 HG3 GLN A 62 9.502 11.940 -18.515 1.00 62.13 H new ATOM 0 HE21 GLN A 62 9.516 11.667 -20.769 1.00 23.24 H new ATOM 0 HE22 GLN A 62 8.904 12.907 -21.869 1.00 23.24 H new ATOM 970 N ARG A 63 7.767 13.520 -14.371 1.00 52.45 N ATOM 971 CA ARG A 63 7.059 14.084 -13.207 1.00 4.20 C ATOM 972 C ARG A 63 7.640 13.557 -11.876 1.00 71.42 C ATOM 973 O ARG A 63 7.540 14.238 -10.870 1.00 54.42 O ATOM 974 CB ARG A 63 5.544 13.743 -13.279 1.00 61.43 C ATOM 975 CG ARG A 63 4.778 14.343 -14.476 1.00 54.31 C ATOM 976 CD ARG A 63 4.739 15.880 -14.468 1.00 52.23 C ATOM 977 NE ARG A 63 3.869 16.415 -15.532 1.00 0.31 N ATOM 978 CZ ARG A 63 3.421 17.682 -15.596 1.00 64.50 C ATOM 979 NH1 ARG A 63 3.746 18.572 -14.661 1.00 2.14 N ATOM 980 NH2 ARG A 63 2.641 18.052 -16.596 1.00 72.41 N ATOM 0 H ARG A 63 7.294 12.709 -14.771 1.00 52.45 H new ATOM 0 HA ARG A 63 7.195 15.165 -13.237 1.00 4.20 H new ATOM 0 HB2 ARG A 63 5.436 12.659 -13.309 1.00 61.43 H new ATOM 0 HB3 ARG A 63 5.069 14.085 -12.359 1.00 61.43 H new ATOM 0 HG2 ARG A 63 5.242 14.004 -15.402 1.00 54.31 H new ATOM 0 HG3 ARG A 63 3.757 13.961 -14.473 1.00 54.31 H new ATOM 0 HD2 ARG A 63 4.383 16.229 -13.499 1.00 52.23 H new ATOM 0 HD3 ARG A 63 5.749 16.269 -14.595 1.00 52.23 H new ATOM 0 HE ARG A 63 3.586 15.776 -16.275 1.00 0.31 H new ATOM 0 HH11 ARG A 63 4.343 18.297 -13.881 1.00 2.14 H new ATOM 0 HH12 ARG A 63 3.398 19.529 -14.725 1.00 2.14 H new ATOM 0 HH21 ARG A 63 2.381 17.378 -17.316 1.00 72.41 H new ATOM 0 HH22 ARG A 63 2.299 19.012 -16.648 1.00 72.41 H new ATOM 994 N LEU A 64 8.221 12.334 -11.910 1.00 50.32 N ATOM 995 CA LEU A 64 8.528 11.489 -10.714 1.00 15.22 C ATOM 996 C LEU A 64 9.176 12.289 -9.562 1.00 43.01 C ATOM 997 O LEU A 64 8.656 12.301 -8.448 1.00 75.43 O ATOM 998 CB LEU A 64 9.450 10.297 -11.141 1.00 45.15 C ATOM 999 CG LEU A 64 9.324 8.936 -10.357 1.00 21.02 C ATOM 1000 CD1 LEU A 64 9.905 9.007 -8.935 1.00 31.33 C ATOM 1001 CD2 LEU A 64 7.862 8.430 -10.339 1.00 12.40 C ATOM 0 H LEU A 64 8.498 11.891 -12.786 1.00 50.32 H new ATOM 0 HA LEU A 64 7.581 11.110 -10.329 1.00 15.22 H new ATOM 0 HB2 LEU A 64 9.261 10.092 -12.195 1.00 45.15 H new ATOM 0 HB3 LEU A 64 10.484 10.632 -11.061 1.00 45.15 H new ATOM 0 HG LEU A 64 9.929 8.212 -10.902 1.00 21.02 H new ATOM 0 HD11 LEU A 64 9.789 8.040 -8.446 1.00 31.33 H new ATOM 0 HD12 LEU A 64 10.963 9.263 -8.987 1.00 31.33 H new ATOM 0 HD13 LEU A 64 9.375 9.769 -8.363 1.00 31.33 H new ATOM 0 HD21 LEU A 64 7.809 7.489 -9.791 1.00 12.40 H new ATOM 0 HD22 LEU A 64 7.227 9.170 -9.852 1.00 12.40 H new ATOM 0 HD23 LEU A 64 7.519 8.274 -11.362 1.00 12.40 H new ATOM 1013 N GLU A 65 10.290 12.973 -9.866 1.00 10.31 N ATOM 1014 CA GLU A 65 11.074 13.743 -8.866 1.00 52.42 C ATOM 1015 C GLU A 65 10.305 14.992 -8.359 1.00 13.52 C ATOM 1016 O GLU A 65 10.516 15.431 -7.222 1.00 14.24 O ATOM 1017 CB GLU A 65 12.514 14.100 -9.391 1.00 61.40 C ATOM 1018 CG GLU A 65 12.667 14.263 -10.916 1.00 24.53 C ATOM 1019 CD GLU A 65 11.809 15.382 -11.523 1.00 55.22 C ATOM 1020 OE1 GLU A 65 12.272 16.539 -11.571 1.00 32.42 O ATOM 1021 OE2 GLU A 65 10.672 15.105 -11.953 1.00 50.11 O ATOM 0 H GLU A 65 10.679 13.013 -10.808 1.00 10.31 H new ATOM 0 HA GLU A 65 11.211 13.091 -8.003 1.00 52.42 H new ATOM 0 HB2 GLU A 65 12.831 15.028 -8.915 1.00 61.40 H new ATOM 0 HB3 GLU A 65 13.201 13.321 -9.060 1.00 61.40 H new ATOM 0 HG2 GLU A 65 13.714 14.460 -11.145 1.00 24.53 H new ATOM 0 HG3 GLU A 65 12.407 13.320 -11.398 1.00 24.53 H new ATOM 1028 N GLN A 66 9.419 15.553 -9.200 1.00 72.41 N ATOM 1029 CA GLN A 66 8.516 16.651 -8.793 1.00 4.30 C ATOM 1030 C GLN A 66 7.434 16.118 -7.839 1.00 44.41 C ATOM 1031 O GLN A 66 7.010 16.819 -6.918 1.00 42.54 O ATOM 1032 CB GLN A 66 7.854 17.316 -10.029 1.00 4.34 C ATOM 1033 CG GLN A 66 8.844 17.898 -11.053 1.00 34.41 C ATOM 1034 CD GLN A 66 9.756 18.985 -10.477 1.00 42.15 C ATOM 1035 OE1 GLN A 66 9.416 20.170 -10.483 1.00 64.21 O ATOM 1036 NE2 GLN A 66 10.921 18.590 -9.981 1.00 13.33 N ATOM 0 H GLN A 66 9.307 15.264 -10.172 1.00 72.41 H new ATOM 0 HA GLN A 66 9.110 17.406 -8.277 1.00 4.30 H new ATOM 0 HB2 GLN A 66 7.227 16.578 -10.529 1.00 4.34 H new ATOM 0 HB3 GLN A 66 7.196 18.114 -9.686 1.00 4.34 H new ATOM 0 HG2 GLN A 66 9.460 17.091 -11.449 1.00 34.41 H new ATOM 0 HG3 GLN A 66 8.284 18.312 -11.892 1.00 34.41 H new ATOM 0 HE21 GLN A 66 11.171 17.601 -9.992 1.00 13.33 H new ATOM 0 HE22 GLN A 66 11.567 19.275 -9.589 1.00 13.33 H new ATOM 1045 N MET A 67 6.996 14.861 -8.070 1.00 62.42 N ATOM 1046 CA MET A 67 5.994 14.195 -7.211 1.00 3.32 C ATOM 1047 C MET A 67 6.623 13.846 -5.850 1.00 54.14 C ATOM 1048 O MET A 67 5.956 13.921 -4.820 1.00 63.22 O ATOM 1049 CB MET A 67 5.399 12.922 -7.886 1.00 13.53 C ATOM 1050 CG MET A 67 4.896 13.133 -9.327 1.00 53.51 C ATOM 1051 SD MET A 67 3.862 14.602 -9.557 1.00 14.32 S ATOM 1052 CE MET A 67 2.441 14.249 -8.525 1.00 1.12 C ATOM 0 H MET A 67 7.322 14.286 -8.847 1.00 62.42 H new ATOM 0 HA MET A 67 5.168 14.890 -7.059 1.00 3.32 H new ATOM 0 HB2 MET A 67 6.160 12.141 -7.892 1.00 13.53 H new ATOM 0 HB3 MET A 67 4.572 12.557 -7.277 1.00 13.53 H new ATOM 0 HG2 MET A 67 5.757 13.203 -9.992 1.00 53.51 H new ATOM 0 HG3 MET A 67 4.328 12.254 -9.632 1.00 53.51 H new ATOM 0 HE1 MET A 67 1.822 15.142 -8.440 1.00 1.12 H new ATOM 0 HE2 MET A 67 1.858 13.444 -8.972 1.00 1.12 H new ATOM 0 HE3 MET A 67 2.778 13.946 -7.534 1.00 1.12 H new ATOM 1062 N ILE A 68 7.927 13.493 -5.874 1.00 0.10 N ATOM 1063 CA ILE A 68 8.744 13.277 -4.659 1.00 52.11 C ATOM 1064 C ILE A 68 8.831 14.578 -3.841 1.00 32.32 C ATOM 1065 O ILE A 68 8.702 14.557 -2.621 1.00 31.13 O ATOM 1066 CB ILE A 68 10.193 12.771 -5.023 1.00 62.34 C ATOM 1067 CG1 ILE A 68 10.124 11.379 -5.725 1.00 52.51 C ATOM 1068 CG2 ILE A 68 11.125 12.711 -3.780 1.00 11.12 C ATOM 1069 CD1 ILE A 68 11.457 10.884 -6.246 1.00 54.20 C ATOM 0 H ILE A 68 8.445 13.349 -6.741 1.00 0.10 H new ATOM 0 HA ILE A 68 8.258 12.506 -4.061 1.00 52.11 H new ATOM 0 HB ILE A 68 10.625 13.496 -5.713 1.00 62.34 H new ATOM 0 HG12 ILE A 68 9.727 10.648 -5.021 1.00 52.51 H new ATOM 0 HG13 ILE A 68 9.420 11.437 -6.555 1.00 52.51 H new ATOM 0 HG21 ILE A 68 12.111 12.357 -4.081 1.00 11.12 H new ATOM 0 HG22 ILE A 68 11.214 13.706 -3.344 1.00 11.12 H new ATOM 0 HG23 ILE A 68 10.704 12.028 -3.042 1.00 11.12 H new ATOM 0 HD11 ILE A 68 11.324 9.911 -6.720 1.00 54.20 H new ATOM 0 HD12 ILE A 68 11.848 11.593 -6.976 1.00 54.20 H new ATOM 0 HD13 ILE A 68 12.160 10.791 -5.418 1.00 54.20 H new ATOM 1081 N SER A 69 9.018 15.700 -4.549 1.00 21.54 N ATOM 1082 CA SER A 69 9.109 17.040 -3.943 1.00 75.32 C ATOM 1083 C SER A 69 7.760 17.456 -3.321 1.00 44.31 C ATOM 1084 O SER A 69 7.722 18.071 -2.247 1.00 13.51 O ATOM 1085 CB SER A 69 9.540 18.059 -5.017 1.00 41.44 C ATOM 1086 OG SER A 69 9.704 19.357 -4.481 1.00 71.33 O ATOM 0 H SER A 69 9.111 15.706 -5.565 1.00 21.54 H new ATOM 0 HA SER A 69 9.852 17.016 -3.146 1.00 75.32 H new ATOM 0 HB2 SER A 69 10.476 17.733 -5.471 1.00 41.44 H new ATOM 0 HB3 SER A 69 8.794 18.086 -5.811 1.00 41.44 H new ATOM 0 HG SER A 69 9.979 19.972 -5.192 1.00 71.33 H new ATOM 1092 N GLN A 70 6.662 17.090 -4.002 1.00 53.24 N ATOM 1093 CA GLN A 70 5.301 17.461 -3.587 1.00 64.43 C ATOM 1094 C GLN A 70 4.880 16.655 -2.345 1.00 45.11 C ATOM 1095 O GLN A 70 4.298 17.214 -1.421 1.00 14.43 O ATOM 1096 CB GLN A 70 4.315 17.274 -4.785 1.00 71.21 C ATOM 1097 CG GLN A 70 2.892 17.897 -4.604 1.00 53.44 C ATOM 1098 CD GLN A 70 1.847 16.940 -4.016 1.00 74.23 C ATOM 1099 OE1 GLN A 70 1.129 16.262 -4.748 1.00 22.44 O ATOM 1100 NE2 GLN A 70 1.764 16.869 -2.703 1.00 23.41 N ATOM 0 H GLN A 70 6.693 16.530 -4.854 1.00 53.24 H new ATOM 0 HA GLN A 70 5.276 18.513 -3.303 1.00 64.43 H new ATOM 0 HB2 GLN A 70 4.770 17.708 -5.675 1.00 71.21 H new ATOM 0 HB3 GLN A 70 4.201 16.206 -4.973 1.00 71.21 H new ATOM 0 HG2 GLN A 70 2.971 18.770 -3.956 1.00 53.44 H new ATOM 0 HG3 GLN A 70 2.538 18.250 -5.573 1.00 53.44 H new ATOM 0 HE21 GLN A 70 2.373 17.444 -2.122 1.00 23.41 H new ATOM 0 HE22 GLN A 70 1.090 16.239 -2.268 1.00 23.41 H new ATOM 1109 N ILE A 71 5.197 15.351 -2.322 1.00 41.54 N ATOM 1110 CA ILE A 71 4.839 14.463 -1.188 1.00 74.34 C ATOM 1111 C ILE A 71 5.753 14.731 0.032 1.00 2.44 C ATOM 1112 O ILE A 71 5.326 14.582 1.183 1.00 2.32 O ATOM 1113 CB ILE A 71 4.895 12.944 -1.602 1.00 13.11 C ATOM 1114 CG1 ILE A 71 4.262 12.026 -0.511 1.00 70.15 C ATOM 1115 CG2 ILE A 71 6.329 12.497 -1.943 1.00 42.44 C ATOM 1116 CD1 ILE A 71 4.361 10.540 -0.804 1.00 15.32 C ATOM 0 H ILE A 71 5.701 14.881 -3.074 1.00 41.54 H new ATOM 0 HA ILE A 71 3.811 14.691 -0.905 1.00 74.34 H new ATOM 0 HB ILE A 71 4.297 12.839 -2.507 1.00 13.11 H new ATOM 0 HG12 ILE A 71 4.748 12.229 0.443 1.00 70.15 H new ATOM 0 HG13 ILE A 71 3.211 12.292 -0.396 1.00 70.15 H new ATOM 0 HG21 ILE A 71 6.325 11.444 -2.223 1.00 42.44 H new ATOM 0 HG22 ILE A 71 6.708 13.092 -2.774 1.00 42.44 H new ATOM 0 HG23 ILE A 71 6.971 12.638 -1.073 1.00 42.44 H new ATOM 0 HD11 ILE A 71 3.896 9.978 0.006 1.00 15.32 H new ATOM 0 HD12 ILE A 71 3.849 10.319 -1.740 1.00 15.32 H new ATOM 0 HD13 ILE A 71 5.410 10.255 -0.888 1.00 15.32 H new ATOM 1128 N ASP A 72 6.998 15.165 -0.247 1.00 32.11 N ATOM 1129 CA ASP A 72 8.025 15.462 0.777 1.00 74.03 C ATOM 1130 C ASP A 72 7.545 16.539 1.766 1.00 13.10 C ATOM 1131 O ASP A 72 7.774 16.425 2.973 1.00 2.23 O ATOM 1132 CB ASP A 72 9.340 15.906 0.067 1.00 65.22 C ATOM 1133 CG ASP A 72 10.388 16.553 0.989 1.00 65.22 C ATOM 1134 OD1 ASP A 72 10.977 15.842 1.822 1.00 70.54 O ATOM 1135 OD2 ASP A 72 10.626 17.782 0.889 1.00 21.14 O ATOM 0 H ASP A 72 7.325 15.322 -1.200 1.00 32.11 H new ATOM 0 HA ASP A 72 8.212 14.559 1.358 1.00 74.03 H new ATOM 0 HB2 ASP A 72 9.788 15.036 -0.413 1.00 65.22 H new ATOM 0 HB3 ASP A 72 9.088 16.612 -0.724 1.00 65.22 H new ATOM 1140 N LYS A 73 6.841 17.557 1.245 1.00 52.35 N ATOM 1141 CA LYS A 73 6.388 18.717 2.051 1.00 44.32 C ATOM 1142 C LYS A 73 5.074 18.436 2.830 1.00 13.10 C ATOM 1143 O LYS A 73 4.495 19.359 3.412 1.00 51.51 O ATOM 1144 CB LYS A 73 6.271 19.985 1.159 1.00 51.02 C ATOM 1145 CG LYS A 73 5.397 19.823 -0.106 1.00 53.14 C ATOM 1146 CD LYS A 73 5.386 21.084 -1.001 1.00 11.20 C ATOM 1147 CE LYS A 73 6.791 21.481 -1.472 1.00 15.43 C ATOM 1148 NZ LYS A 73 6.762 22.613 -2.434 1.00 11.44 N ATOM 0 H LYS A 73 6.569 17.606 0.263 1.00 52.35 H new ATOM 0 HA LYS A 73 7.148 18.899 2.811 1.00 44.32 H new ATOM 0 HB2 LYS A 73 5.863 20.797 1.761 1.00 51.02 H new ATOM 0 HB3 LYS A 73 7.272 20.288 0.853 1.00 51.02 H new ATOM 0 HG2 LYS A 73 5.762 18.976 -0.687 1.00 53.14 H new ATOM 0 HG3 LYS A 73 4.375 19.588 0.193 1.00 53.14 H new ATOM 0 HD2 LYS A 73 4.752 20.904 -1.869 1.00 11.20 H new ATOM 0 HD3 LYS A 73 4.943 21.913 -0.450 1.00 11.20 H new ATOM 0 HE2 LYS A 73 7.398 21.755 -0.609 1.00 15.43 H new ATOM 0 HE3 LYS A 73 7.272 20.622 -1.939 1.00 15.43 H new ATOM 0 HZ1 LYS A 73 7.733 22.847 -2.725 1.00 11.44 H new ATOM 0 HZ2 LYS A 73 6.205 22.344 -3.270 1.00 11.44 H new ATOM 0 HZ3 LYS A 73 6.327 23.442 -1.981 1.00 11.44 H new ATOM 1162 N LEU A 74 4.622 17.165 2.855 1.00 11.14 N ATOM 1163 CA LEU A 74 3.504 16.718 3.721 1.00 61.41 C ATOM 1164 C LEU A 74 4.037 16.397 5.133 1.00 30.40 C ATOM 1165 O LEU A 74 5.161 15.895 5.281 1.00 72.14 O ATOM 1166 CB LEU A 74 2.777 15.464 3.121 1.00 72.11 C ATOM 1167 CG LEU A 74 1.657 15.735 2.055 1.00 40.31 C ATOM 1168 CD1 LEU A 74 0.474 16.513 2.674 1.00 75.50 C ATOM 1169 CD2 LEU A 74 2.207 16.465 0.810 1.00 63.02 C ATOM 0 H LEU A 74 5.017 16.421 2.280 1.00 11.14 H new ATOM 0 HA LEU A 74 2.776 17.527 3.780 1.00 61.41 H new ATOM 0 HB2 LEU A 74 3.530 14.821 2.666 1.00 72.11 H new ATOM 0 HB3 LEU A 74 2.334 14.903 3.944 1.00 72.11 H new ATOM 0 HG LEU A 74 1.289 14.764 1.724 1.00 40.31 H new ATOM 0 HD11 LEU A 74 -0.286 16.686 1.912 1.00 75.50 H new ATOM 0 HD12 LEU A 74 0.044 15.932 3.490 1.00 75.50 H new ATOM 0 HD13 LEU A 74 0.828 17.470 3.057 1.00 75.50 H new ATOM 0 HD21 LEU A 74 1.398 16.632 0.099 1.00 63.02 H new ATOM 0 HD22 LEU A 74 2.631 17.424 1.108 1.00 63.02 H new ATOM 0 HD23 LEU A 74 2.980 15.855 0.343 1.00 63.02 H new ATOM 1181 N GLU A 75 3.200 16.678 6.153 1.00 42.12 N ATOM 1182 CA GLU A 75 3.489 16.355 7.576 1.00 1.54 C ATOM 1183 C GLU A 75 3.351 14.845 7.844 1.00 12.50 C ATOM 1184 O GLU A 75 3.779 14.345 8.898 1.00 61.13 O ATOM 1185 CB GLU A 75 2.528 17.142 8.505 1.00 1.32 C ATOM 1186 CG GLU A 75 2.666 18.671 8.408 1.00 35.02 C ATOM 1187 CD GLU A 75 1.663 19.421 9.299 1.00 23.23 C ATOM 1188 OE1 GLU A 75 1.887 19.503 10.525 1.00 74.23 O ATOM 1189 OE2 GLU A 75 0.642 19.923 8.775 1.00 33.32 O ATOM 0 H GLU A 75 2.299 17.137 6.018 1.00 42.12 H new ATOM 0 HA GLU A 75 4.518 16.647 7.785 1.00 1.54 H new ATOM 0 HB2 GLU A 75 1.501 16.865 8.265 1.00 1.32 H new ATOM 0 HB3 GLU A 75 2.707 16.837 9.536 1.00 1.32 H new ATOM 0 HG2 GLU A 75 3.679 18.958 8.690 1.00 35.02 H new ATOM 0 HG3 GLU A 75 2.524 18.978 7.372 1.00 35.02 H new ATOM 1196 N ASP A 76 2.696 14.155 6.899 1.00 30.43 N ATOM 1197 CA ASP A 76 2.584 12.693 6.880 1.00 1.12 C ATOM 1198 C ASP A 76 3.979 12.071 6.770 1.00 64.22 C ATOM 1199 O ASP A 76 4.373 11.238 7.589 1.00 13.11 O ATOM 1200 CB ASP A 76 1.728 12.239 5.670 1.00 0.21 C ATOM 1201 CG ASP A 76 0.346 12.906 5.594 1.00 20.15 C ATOM 1202 OD1 ASP A 76 0.264 14.082 5.173 1.00 72.51 O ATOM 1203 OD2 ASP A 76 -0.664 12.268 5.949 1.00 63.14 O ATOM 0 H ASP A 76 2.223 14.606 6.116 1.00 30.43 H new ATOM 0 HA ASP A 76 2.106 12.365 7.803 1.00 1.12 H new ATOM 0 HB2 ASP A 76 2.274 12.453 4.751 1.00 0.21 H new ATOM 0 HB3 ASP A 76 1.596 11.158 5.717 1.00 0.21 H new ATOM 1208 N VAL A 77 4.714 12.535 5.752 1.00 74.41 N ATOM 1209 CA VAL A 77 6.061 12.075 5.438 1.00 71.13 C ATOM 1210 C VAL A 77 7.056 12.714 6.416 1.00 71.43 C ATOM 1211 O VAL A 77 7.151 13.936 6.505 1.00 4.41 O ATOM 1212 CB VAL A 77 6.426 12.411 3.940 1.00 42.33 C ATOM 1213 CG1 VAL A 77 7.889 12.052 3.598 1.00 4.13 C ATOM 1214 CG2 VAL A 77 5.455 11.690 2.978 1.00 10.04 C ATOM 0 H VAL A 77 4.377 13.256 5.114 1.00 74.41 H new ATOM 0 HA VAL A 77 6.112 10.992 5.549 1.00 71.13 H new ATOM 0 HB VAL A 77 6.323 13.489 3.815 1.00 42.33 H new ATOM 0 HG11 VAL A 77 8.091 12.302 2.556 1.00 4.13 H new ATOM 0 HG12 VAL A 77 8.562 12.616 4.244 1.00 4.13 H new ATOM 0 HG13 VAL A 77 8.047 10.985 3.752 1.00 4.13 H new ATOM 0 HG21 VAL A 77 5.718 11.930 1.948 1.00 10.04 H new ATOM 0 HG22 VAL A 77 5.526 10.613 3.129 1.00 10.04 H new ATOM 0 HG23 VAL A 77 4.435 12.018 3.178 1.00 10.04 H new ATOM 1224 N VAL A 78 7.723 11.864 7.195 1.00 60.44 N ATOM 1225 CA VAL A 78 8.813 12.259 8.095 1.00 34.12 C ATOM 1226 C VAL A 78 10.086 12.506 7.265 1.00 13.54 C ATOM 1227 O VAL A 78 10.703 13.572 7.347 1.00 40.40 O ATOM 1228 CB VAL A 78 9.072 11.146 9.180 1.00 74.22 C ATOM 1229 CG1 VAL A 78 10.081 11.622 10.251 1.00 64.14 C ATOM 1230 CG2 VAL A 78 7.740 10.681 9.821 1.00 30.40 C ATOM 0 H VAL A 78 7.520 10.865 7.221 1.00 60.44 H new ATOM 0 HA VAL A 78 8.534 13.175 8.616 1.00 34.12 H new ATOM 0 HB VAL A 78 9.519 10.288 8.678 1.00 74.22 H new ATOM 0 HG11 VAL A 78 10.236 10.829 10.983 1.00 64.14 H new ATOM 0 HG12 VAL A 78 11.030 11.866 9.774 1.00 64.14 H new ATOM 0 HG13 VAL A 78 9.689 12.507 10.752 1.00 64.14 H new ATOM 0 HG21 VAL A 78 7.944 9.913 10.567 1.00 30.40 H new ATOM 0 HG22 VAL A 78 7.250 11.530 10.299 1.00 30.40 H new ATOM 0 HG23 VAL A 78 7.088 10.273 9.049 1.00 30.40 H new ATOM 1240 N LYS A 79 10.448 11.495 6.449 1.00 72.14 N ATOM 1241 CA LYS A 79 11.591 11.552 5.512 1.00 21.42 C ATOM 1242 C LYS A 79 11.210 10.884 4.183 1.00 51.32 C ATOM 1243 O LYS A 79 10.394 9.972 4.168 1.00 3.25 O ATOM 1244 CB LYS A 79 12.854 10.861 6.101 1.00 61.11 C ATOM 1245 CG LYS A 79 13.557 11.649 7.226 1.00 50.23 C ATOM 1246 CD LYS A 79 14.855 10.956 7.706 1.00 11.42 C ATOM 1247 CE LYS A 79 15.625 11.789 8.745 1.00 1.51 C ATOM 1248 NZ LYS A 79 14.840 12.013 9.980 1.00 43.52 N ATOM 0 H LYS A 79 9.950 10.605 6.421 1.00 72.14 H new ATOM 0 HA LYS A 79 11.830 12.602 5.344 1.00 21.42 H new ATOM 0 HB2 LYS A 79 12.569 9.882 6.486 1.00 61.11 H new ATOM 0 HB3 LYS A 79 13.568 10.691 5.295 1.00 61.11 H new ATOM 0 HG2 LYS A 79 13.793 12.652 6.871 1.00 50.23 H new ATOM 0 HG3 LYS A 79 12.875 11.762 8.069 1.00 50.23 H new ATOM 0 HD2 LYS A 79 14.606 9.986 8.137 1.00 11.42 H new ATOM 0 HD3 LYS A 79 15.500 10.768 6.848 1.00 11.42 H new ATOM 0 HE2 LYS A 79 16.556 11.281 8.996 1.00 1.51 H new ATOM 0 HE3 LYS A 79 15.894 12.751 8.309 1.00 1.51 H new ATOM 0 HZ1 LYS A 79 15.412 12.550 10.663 1.00 43.52 H new ATOM 0 HZ2 LYS A 79 13.979 12.551 9.752 1.00 43.52 H new ATOM 0 HZ3 LYS A 79 14.576 11.096 10.394 1.00 43.52 H new ATOM 1262 N VAL A 80 11.798 11.353 3.068 1.00 42.51 N ATOM 1263 CA VAL A 80 11.640 10.715 1.743 1.00 34.33 C ATOM 1264 C VAL A 80 13.041 10.343 1.201 1.00 62.04 C ATOM 1265 O VAL A 80 14.019 11.066 1.441 1.00 64.34 O ATOM 1266 CB VAL A 80 10.867 11.645 0.719 1.00 22.22 C ATOM 1267 CG1 VAL A 80 11.684 12.897 0.326 1.00 74.54 C ATOM 1268 CG2 VAL A 80 10.402 10.851 -0.532 1.00 23.44 C ATOM 0 H VAL A 80 12.394 12.181 3.057 1.00 42.51 H new ATOM 0 HA VAL A 80 11.034 9.816 1.859 1.00 34.33 H new ATOM 0 HB VAL A 80 9.975 12.003 1.233 1.00 22.22 H new ATOM 0 HG11 VAL A 80 11.110 13.500 -0.377 1.00 74.54 H new ATOM 0 HG12 VAL A 80 11.899 13.486 1.218 1.00 74.54 H new ATOM 0 HG13 VAL A 80 12.620 12.589 -0.140 1.00 74.54 H new ATOM 0 HG21 VAL A 80 9.876 11.520 -1.213 1.00 23.44 H new ATOM 0 HG22 VAL A 80 11.270 10.428 -1.038 1.00 23.44 H new ATOM 0 HG23 VAL A 80 9.734 10.047 -0.225 1.00 23.44 H new ATOM 1278 N GLN A 81 13.142 9.205 0.500 1.00 0.13 N ATOM 1279 CA GLN A 81 14.402 8.729 -0.088 1.00 72.51 C ATOM 1280 C GLN A 81 14.087 8.002 -1.391 1.00 61.31 C ATOM 1281 O GLN A 81 13.419 6.963 -1.377 1.00 43.15 O ATOM 1282 CB GLN A 81 15.157 7.775 0.887 1.00 32.32 C ATOM 1283 CG GLN A 81 16.559 7.345 0.398 1.00 10.55 C ATOM 1284 CD GLN A 81 17.281 6.400 1.367 1.00 24.10 C ATOM 1285 OE1 GLN A 81 17.987 6.838 2.276 1.00 54.31 O ATOM 1286 NE2 GLN A 81 17.124 5.099 1.176 1.00 44.01 N ATOM 0 H GLN A 81 12.350 8.587 0.324 1.00 0.13 H new ATOM 0 HA GLN A 81 15.050 9.584 -0.279 1.00 72.51 H new ATOM 0 HB2 GLN A 81 15.258 8.268 1.854 1.00 32.32 H new ATOM 0 HB3 GLN A 81 14.551 6.883 1.046 1.00 32.32 H new ATOM 0 HG2 GLN A 81 16.463 6.855 -0.571 1.00 10.55 H new ATOM 0 HG3 GLN A 81 17.171 8.234 0.246 1.00 10.55 H new ATOM 0 HE21 GLN A 81 16.533 4.763 0.415 1.00 44.01 H new ATOM 0 HE22 GLN A 81 17.594 4.433 1.790 1.00 44.01 H new ATOM 1295 N ARG A 82 14.547 8.548 -2.514 1.00 63.22 N ATOM 1296 CA ARG A 82 14.367 7.910 -3.814 1.00 62.12 C ATOM 1297 C ARG A 82 15.548 6.958 -4.057 1.00 44.14 C ATOM 1298 O ARG A 82 16.710 7.342 -3.893 1.00 42.32 O ATOM 1299 CB ARG A 82 14.204 8.982 -4.941 1.00 11.44 C ATOM 1300 CG ARG A 82 15.435 9.884 -5.253 1.00 13.23 C ATOM 1301 CD ARG A 82 16.325 9.341 -6.392 1.00 42.23 C ATOM 1302 NE ARG A 82 17.553 10.129 -6.551 1.00 24.55 N ATOM 1303 CZ ARG A 82 18.596 9.794 -7.326 1.00 41.53 C ATOM 1304 NH1 ARG A 82 18.587 8.677 -8.049 1.00 4.55 N ATOM 1305 NH2 ARG A 82 19.654 10.580 -7.362 1.00 53.04 N ATOM 0 H ARG A 82 15.049 9.435 -2.549 1.00 63.22 H new ATOM 0 HA ARG A 82 13.448 7.324 -3.828 1.00 62.12 H new ATOM 0 HB2 ARG A 82 13.923 8.466 -5.859 1.00 11.44 H new ATOM 0 HB3 ARG A 82 13.370 9.631 -4.672 1.00 11.44 H new ATOM 0 HG2 ARG A 82 15.086 10.882 -5.520 1.00 13.23 H new ATOM 0 HG3 ARG A 82 16.037 9.988 -4.350 1.00 13.23 H new ATOM 0 HD2 ARG A 82 16.584 8.302 -6.186 1.00 42.23 H new ATOM 0 HD3 ARG A 82 15.764 9.350 -7.327 1.00 42.23 H new ATOM 0 HE ARG A 82 17.619 11.003 -6.030 1.00 24.55 H new ATOM 0 HH11 ARG A 82 17.777 8.058 -8.020 1.00 4.55 H new ATOM 0 HH12 ARG A 82 19.390 8.440 -8.632 1.00 4.55 H new ATOM 0 HH21 ARG A 82 19.674 11.434 -6.804 1.00 53.04 H new ATOM 0 HH22 ARG A 82 20.452 10.334 -7.948 1.00 53.04 H new ATOM 1319 N ASN A 83 15.236 5.701 -4.374 1.00 44.05 N ATOM 1320 CA ASN A 83 16.240 4.667 -4.688 1.00 53.31 C ATOM 1321 C ASN A 83 15.852 4.053 -6.031 1.00 20.43 C ATOM 1322 O ASN A 83 14.671 4.042 -6.377 1.00 71.04 O ATOM 1323 CB ASN A 83 16.279 3.563 -3.590 1.00 30.32 C ATOM 1324 CG ASN A 83 16.377 4.113 -2.162 1.00 72.34 C ATOM 1325 OD1 ASN A 83 17.465 4.300 -1.621 1.00 74.42 O ATOM 1326 ND2 ASN A 83 15.229 4.388 -1.545 1.00 21.43 N ATOM 0 H ASN A 83 14.275 5.363 -4.422 1.00 44.05 H new ATOM 0 HA ASN A 83 17.233 5.114 -4.730 1.00 53.31 H new ATOM 0 HB2 ASN A 83 15.381 2.950 -3.672 1.00 30.32 H new ATOM 0 HB3 ASN A 83 17.130 2.908 -3.776 1.00 30.32 H new ATOM 0 HD21 ASN A 83 15.237 4.765 -0.597 1.00 21.43 H new ATOM 0 HD22 ASN A 83 14.342 4.222 -2.020 1.00 21.43 H new ATOM 1333 N GLN A 84 16.830 3.566 -6.790 1.00 4.24 N ATOM 1334 CA GLN A 84 16.578 2.857 -8.049 1.00 13.34 C ATOM 1335 C GLN A 84 17.489 1.628 -8.104 1.00 24.15 C ATOM 1336 O GLN A 84 18.683 1.721 -8.406 1.00 13.41 O ATOM 1337 CB GLN A 84 16.732 3.816 -9.269 1.00 42.52 C ATOM 1338 CG GLN A 84 18.023 4.649 -9.313 1.00 21.50 C ATOM 1339 CD GLN A 84 17.999 5.729 -10.394 1.00 44.11 C ATOM 1340 OE1 GLN A 84 17.735 6.897 -10.114 1.00 32.22 O ATOM 1341 NE2 GLN A 84 18.166 5.324 -11.642 1.00 43.01 N ATOM 0 H GLN A 84 17.819 3.650 -6.554 1.00 4.24 H new ATOM 0 HA GLN A 84 15.547 2.505 -8.097 1.00 13.34 H new ATOM 0 HB2 GLN A 84 16.675 3.223 -10.182 1.00 42.52 H new ATOM 0 HB3 GLN A 84 15.882 4.499 -9.279 1.00 42.52 H new ATOM 0 HG2 GLN A 84 18.180 5.118 -8.342 1.00 21.50 H new ATOM 0 HG3 GLN A 84 18.871 3.987 -9.488 1.00 21.50 H new ATOM 0 HE21 GLN A 84 18.384 4.347 -11.836 1.00 43.01 H new ATOM 0 HE22 GLN A 84 18.077 5.989 -12.410 1.00 43.01 H new ATOM 1350 N SER A 85 16.900 0.476 -7.767 1.00 52.13 N ATOM 1351 CA SER A 85 17.608 -0.797 -7.616 1.00 14.24 C ATOM 1352 C SER A 85 16.645 -1.951 -7.937 1.00 63.42 C ATOM 1353 O SER A 85 15.484 -1.719 -8.321 1.00 74.35 O ATOM 1354 CB SER A 85 18.178 -0.909 -6.172 1.00 34.23 C ATOM 1355 OG SER A 85 18.995 -2.060 -6.002 1.00 62.12 O ATOM 0 H SER A 85 15.898 0.402 -7.588 1.00 52.13 H new ATOM 0 HA SER A 85 18.447 -0.849 -8.310 1.00 14.24 H new ATOM 0 HB2 SER A 85 18.760 -0.016 -5.943 1.00 34.23 H new ATOM 0 HB3 SER A 85 17.353 -0.943 -5.460 1.00 34.23 H new ATOM 0 HG SER A 85 19.332 -2.089 -5.082 1.00 62.12 H new ATOM 1361 N ASP A 86 17.148 -3.184 -7.787 1.00 21.42 N ATOM 1362 CA ASP A 86 16.382 -4.417 -8.036 1.00 11.45 C ATOM 1363 C ASP A 86 15.236 -4.564 -7.006 1.00 14.22 C ATOM 1364 O ASP A 86 15.381 -4.121 -5.857 1.00 65.34 O ATOM 1365 CB ASP A 86 17.322 -5.655 -7.942 1.00 10.41 C ATOM 1366 CG ASP A 86 18.479 -5.616 -8.950 1.00 4.11 C ATOM 1367 OD1 ASP A 86 19.507 -4.957 -8.664 1.00 33.54 O ATOM 1368 OD2 ASP A 86 18.365 -6.226 -10.032 1.00 65.53 O ATOM 0 H ASP A 86 18.107 -3.357 -7.487 1.00 21.42 H new ATOM 0 HA ASP A 86 15.953 -4.358 -9.036 1.00 11.45 H new ATOM 0 HB2 ASP A 86 17.730 -5.717 -6.933 1.00 10.41 H new ATOM 0 HB3 ASP A 86 16.737 -6.560 -8.106 1.00 10.41 H new ATOM 1373 N PRO A 87 14.084 -5.222 -7.383 1.00 12.45 N ATOM 1374 CA PRO A 87 12.948 -5.473 -6.450 1.00 23.31 C ATOM 1375 C PRO A 87 13.260 -6.593 -5.428 1.00 62.12 C ATOM 1376 O PRO A 87 12.385 -7.017 -4.672 1.00 3.02 O ATOM 1377 CB PRO A 87 11.800 -5.875 -7.410 1.00 53.32 C ATOM 1378 CG PRO A 87 12.500 -6.548 -8.542 1.00 63.44 C ATOM 1379 CD PRO A 87 13.787 -5.769 -8.743 1.00 64.43 C ATOM 0 HA PRO A 87 12.712 -4.609 -5.829 1.00 23.31 H new ATOM 0 HB2 PRO A 87 11.089 -6.544 -6.925 1.00 53.32 H new ATOM 0 HB3 PRO A 87 11.238 -5.004 -7.748 1.00 53.32 H new ATOM 0 HG2 PRO A 87 12.706 -7.593 -8.311 1.00 63.44 H new ATOM 0 HG3 PRO A 87 11.889 -6.536 -9.444 1.00 63.44 H new ATOM 0 HD2 PRO A 87 14.592 -6.411 -9.102 1.00 64.43 H new ATOM 0 HD3 PRO A 87 13.663 -4.973 -9.477 1.00 64.43 H new ATOM 1387 N THR A 88 14.514 -7.071 -5.432 1.00 3.54 N ATOM 1388 CA THR A 88 15.044 -7.975 -4.408 1.00 5.33 C ATOM 1389 C THR A 88 15.179 -7.256 -3.056 1.00 51.40 C ATOM 1390 O THR A 88 15.234 -7.908 -2.013 1.00 71.10 O ATOM 1391 CB THR A 88 16.427 -8.535 -4.848 1.00 60.04 C ATOM 1392 OG1 THR A 88 17.338 -7.443 -5.068 1.00 42.12 O ATOM 1393 CG2 THR A 88 16.317 -9.380 -6.132 1.00 11.31 C ATOM 0 H THR A 88 15.193 -6.836 -6.156 1.00 3.54 H new ATOM 0 HA THR A 88 14.343 -8.801 -4.291 1.00 5.33 H new ATOM 0 HB THR A 88 16.798 -9.181 -4.052 1.00 60.04 H new ATOM 0 HG1 THR A 88 18.210 -7.795 -5.344 1.00 42.12 H new ATOM 0 HG21 THR A 88 17.303 -9.753 -6.407 1.00 11.31 H new ATOM 0 HG22 THR A 88 15.646 -10.221 -5.958 1.00 11.31 H new ATOM 0 HG23 THR A 88 15.924 -8.764 -6.940 1.00 11.31 H new ATOM 1401 N MET A 89 15.248 -5.904 -3.105 1.00 63.04 N ATOM 1402 CA MET A 89 15.190 -5.030 -1.919 1.00 0.33 C ATOM 1403 C MET A 89 13.889 -5.284 -1.126 1.00 32.43 C ATOM 1404 O MET A 89 13.916 -5.372 0.101 1.00 64.23 O ATOM 1405 CB MET A 89 15.284 -3.545 -2.359 1.00 21.00 C ATOM 1406 CG MET A 89 15.249 -2.516 -1.211 1.00 53.52 C ATOM 1407 SD MET A 89 16.571 -2.757 0.001 1.00 41.32 S ATOM 1408 CE MET A 89 16.295 -1.386 1.131 1.00 14.00 C ATOM 0 H MET A 89 15.346 -5.389 -3.980 1.00 63.04 H new ATOM 0 HA MET A 89 16.033 -5.257 -1.266 1.00 0.33 H new ATOM 0 HB2 MET A 89 16.208 -3.407 -2.921 1.00 21.00 H new ATOM 0 HB3 MET A 89 14.461 -3.332 -3.041 1.00 21.00 H new ATOM 0 HG2 MET A 89 15.326 -1.512 -1.629 1.00 53.52 H new ATOM 0 HG3 MET A 89 14.285 -2.578 -0.705 1.00 53.52 H new ATOM 0 HE1 MET A 89 17.040 -1.414 1.926 1.00 14.00 H new ATOM 0 HE2 MET A 89 16.379 -0.445 0.588 1.00 14.00 H new ATOM 0 HE3 MET A 89 15.298 -1.467 1.564 1.00 14.00 H new ATOM 1418 N PHE A 90 12.774 -5.439 -1.875 1.00 24.22 N ATOM 1419 CA PHE A 90 11.423 -5.733 -1.332 1.00 31.15 C ATOM 1420 C PHE A 90 11.475 -7.004 -0.442 1.00 61.42 C ATOM 1421 O PHE A 90 11.013 -6.998 0.710 1.00 14.31 O ATOM 1422 CB PHE A 90 10.443 -5.908 -2.539 1.00 55.53 C ATOM 1423 CG PHE A 90 8.933 -5.973 -2.244 1.00 45.34 C ATOM 1424 CD1 PHE A 90 8.367 -7.045 -1.550 1.00 65.54 C ATOM 1425 CD2 PHE A 90 8.071 -4.982 -2.726 1.00 51.23 C ATOM 1426 CE1 PHE A 90 7.001 -7.120 -1.343 1.00 50.01 C ATOM 1427 CE2 PHE A 90 6.707 -5.054 -2.515 1.00 11.54 C ATOM 1428 CZ PHE A 90 6.171 -6.122 -1.826 1.00 43.42 C ATOM 0 H PHE A 90 12.785 -5.362 -2.892 1.00 24.22 H new ATOM 0 HA PHE A 90 11.070 -4.916 -0.703 1.00 31.15 H new ATOM 0 HB2 PHE A 90 10.613 -5.081 -3.229 1.00 55.53 H new ATOM 0 HB3 PHE A 90 10.720 -6.823 -3.063 1.00 55.53 H new ATOM 0 HD1 PHE A 90 9.006 -7.828 -1.169 1.00 65.54 H new ATOM 0 HD2 PHE A 90 8.479 -4.145 -3.273 1.00 51.23 H new ATOM 0 HE1 PHE A 90 6.582 -7.957 -0.805 1.00 50.01 H new ATOM 0 HE2 PHE A 90 6.061 -4.274 -2.890 1.00 11.54 H new ATOM 0 HZ PHE A 90 5.105 -6.180 -1.663 1.00 43.42 H new ATOM 1438 N ASN A 91 12.092 -8.067 -0.990 1.00 51.43 N ATOM 1439 CA ASN A 91 12.269 -9.362 -0.295 1.00 21.23 C ATOM 1440 C ASN A 91 13.252 -9.219 0.893 1.00 33.13 C ATOM 1441 O ASN A 91 13.031 -9.790 1.966 1.00 35.14 O ATOM 1442 CB ASN A 91 12.792 -10.418 -1.306 1.00 75.31 C ATOM 1443 CG ASN A 91 13.075 -11.795 -0.683 1.00 50.24 C ATOM 1444 OD1 ASN A 91 14.173 -12.053 -0.186 1.00 34.35 O ATOM 1445 ND2 ASN A 91 12.104 -12.691 -0.717 1.00 50.32 N ATOM 0 H ASN A 91 12.485 -8.055 -1.931 1.00 51.43 H new ATOM 0 HA ASN A 91 11.308 -9.686 0.104 1.00 21.23 H new ATOM 0 HB2 ASN A 91 12.059 -10.536 -2.104 1.00 75.31 H new ATOM 0 HB3 ASN A 91 13.707 -10.044 -1.766 1.00 75.31 H new ATOM 0 HD21 ASN A 91 12.254 -13.621 -0.326 1.00 50.32 H new ATOM 0 HD22 ASN A 91 11.204 -12.452 -1.134 1.00 50.32 H new ATOM 1452 N LYS A 92 14.310 -8.419 0.670 1.00 43.53 N ATOM 1453 CA LYS A 92 15.456 -8.258 1.591 1.00 73.11 C ATOM 1454 C LYS A 92 15.000 -7.747 2.974 1.00 4.11 C ATOM 1455 O LYS A 92 15.393 -8.277 4.021 1.00 24.54 O ATOM 1456 CB LYS A 92 16.469 -7.255 0.965 1.00 33.32 C ATOM 1457 CG LYS A 92 17.840 -7.176 1.666 1.00 15.14 C ATOM 1458 CD LYS A 92 18.681 -8.463 1.496 1.00 42.34 C ATOM 1459 CE LYS A 92 19.009 -8.773 0.022 1.00 62.01 C ATOM 1460 NZ LYS A 92 19.862 -9.982 -0.112 1.00 13.54 N ATOM 0 H LYS A 92 14.397 -7.852 -0.174 1.00 43.53 H new ATOM 0 HA LYS A 92 15.927 -9.230 1.735 1.00 73.11 H new ATOM 0 HB2 LYS A 92 16.628 -7.529 -0.078 1.00 33.32 H new ATOM 0 HB3 LYS A 92 16.020 -6.262 0.969 1.00 33.32 H new ATOM 0 HG2 LYS A 92 18.398 -6.329 1.267 1.00 15.14 H new ATOM 0 HG3 LYS A 92 17.688 -6.986 2.728 1.00 15.14 H new ATOM 0 HD2 LYS A 92 19.610 -8.361 2.056 1.00 42.34 H new ATOM 0 HD3 LYS A 92 18.140 -9.305 1.928 1.00 42.34 H new ATOM 0 HE2 LYS A 92 18.083 -8.919 -0.533 1.00 62.01 H new ATOM 0 HE3 LYS A 92 19.517 -7.918 -0.425 1.00 62.01 H new ATOM 0 HZ1 LYS A 92 20.060 -10.157 -1.118 1.00 13.54 H new ATOM 0 HZ2 LYS A 92 20.757 -9.834 0.397 1.00 13.54 H new ATOM 0 HZ3 LYS A 92 19.367 -10.803 0.291 1.00 13.54 H new ATOM 1474 N ILE A 93 14.165 -6.708 2.942 1.00 52.43 N ATOM 1475 CA ILE A 93 13.631 -6.052 4.146 1.00 15.34 C ATOM 1476 C ILE A 93 12.444 -6.835 4.721 1.00 24.52 C ATOM 1477 O ILE A 93 12.225 -6.823 5.925 1.00 44.33 O ATOM 1478 CB ILE A 93 13.211 -4.581 3.801 1.00 2.52 C ATOM 1479 CG1 ILE A 93 12.140 -4.591 2.654 1.00 71.23 C ATOM 1480 CG2 ILE A 93 14.459 -3.739 3.434 1.00 15.05 C ATOM 1481 CD1 ILE A 93 12.108 -3.374 1.764 1.00 21.12 C ATOM 0 H ILE A 93 13.834 -6.290 2.072 1.00 52.43 H new ATOM 0 HA ILE A 93 14.410 -6.031 4.908 1.00 15.34 H new ATOM 0 HB ILE A 93 12.755 -4.113 4.674 1.00 2.52 H new ATOM 0 HG12 ILE A 93 12.314 -5.468 2.030 1.00 71.23 H new ATOM 0 HG13 ILE A 93 11.155 -4.712 3.105 1.00 71.23 H new ATOM 0 HG21 ILE A 93 14.153 -2.720 3.197 1.00 15.05 H new ATOM 0 HG22 ILE A 93 15.149 -3.724 4.278 1.00 15.05 H new ATOM 0 HG23 ILE A 93 14.954 -4.180 2.569 1.00 15.05 H new ATOM 0 HD11 ILE A 93 11.330 -3.495 1.010 1.00 21.12 H new ATOM 0 HD12 ILE A 93 11.897 -2.489 2.365 1.00 21.12 H new ATOM 0 HD13 ILE A 93 13.074 -3.257 1.273 1.00 21.12 H new ATOM 1493 N ALA A 94 11.687 -7.527 3.850 1.00 0.24 N ATOM 1494 CA ALA A 94 10.536 -8.342 4.276 1.00 1.42 C ATOM 1495 C ALA A 94 10.974 -9.551 5.130 1.00 34.24 C ATOM 1496 O ALA A 94 10.275 -9.942 6.075 1.00 22.44 O ATOM 1497 CB ALA A 94 9.747 -8.793 3.050 1.00 23.21 C ATOM 0 H ALA A 94 11.853 -7.537 2.844 1.00 0.24 H new ATOM 0 HA ALA A 94 9.895 -7.727 4.907 1.00 1.42 H new ATOM 0 HB1 ALA A 94 8.896 -9.396 3.367 1.00 23.21 H new ATOM 0 HB2 ALA A 94 9.390 -7.919 2.505 1.00 23.21 H new ATOM 0 HB3 ALA A 94 10.391 -9.387 2.401 1.00 23.21 H new ATOM 1503 N VAL A 95 12.144 -10.122 4.795 1.00 25.24 N ATOM 1504 CA VAL A 95 12.710 -11.283 5.512 1.00 44.22 C ATOM 1505 C VAL A 95 13.534 -10.826 6.743 1.00 73.11 C ATOM 1506 O VAL A 95 13.815 -11.624 7.642 1.00 65.20 O ATOM 1507 CB VAL A 95 13.570 -12.191 4.541 1.00 15.23 C ATOM 1508 CG1 VAL A 95 14.882 -11.504 4.110 1.00 63.32 C ATOM 1509 CG2 VAL A 95 13.829 -13.595 5.148 1.00 12.20 C ATOM 0 H VAL A 95 12.724 -9.795 4.022 1.00 25.24 H new ATOM 0 HA VAL A 95 11.882 -11.890 5.877 1.00 44.22 H new ATOM 0 HB VAL A 95 12.978 -12.333 3.637 1.00 15.23 H new ATOM 0 HG11 VAL A 95 15.438 -12.165 3.445 1.00 63.32 H new ATOM 0 HG12 VAL A 95 14.652 -10.575 3.589 1.00 63.32 H new ATOM 0 HG13 VAL A 95 15.485 -11.286 4.991 1.00 63.32 H new ATOM 0 HG21 VAL A 95 14.422 -14.188 4.452 1.00 12.20 H new ATOM 0 HG22 VAL A 95 14.370 -13.491 6.089 1.00 12.20 H new ATOM 0 HG23 VAL A 95 12.877 -14.094 5.330 1.00 12.20 H new ATOM 1519 N PHE A 96 13.897 -9.532 6.791 1.00 64.41 N ATOM 1520 CA PHE A 96 14.696 -8.967 7.894 1.00 3.34 C ATOM 1521 C PHE A 96 13.775 -8.456 9.018 1.00 5.24 C ATOM 1522 O PHE A 96 14.019 -8.722 10.201 1.00 3.53 O ATOM 1523 CB PHE A 96 15.605 -7.824 7.373 1.00 74.25 C ATOM 1524 CG PHE A 96 16.520 -7.215 8.443 1.00 32.11 C ATOM 1525 CD1 PHE A 96 17.644 -7.906 8.898 1.00 32.11 C ATOM 1526 CD2 PHE A 96 16.240 -5.972 9.014 1.00 34.15 C ATOM 1527 CE1 PHE A 96 18.461 -7.366 9.874 1.00 61.03 C ATOM 1528 CE2 PHE A 96 17.058 -5.432 9.988 1.00 73.24 C ATOM 1529 CZ PHE A 96 18.165 -6.134 10.423 1.00 62.24 C ATOM 0 H PHE A 96 13.647 -8.853 6.072 1.00 64.41 H new ATOM 0 HA PHE A 96 15.331 -9.754 8.301 1.00 3.34 H new ATOM 0 HB2 PHE A 96 16.220 -8.206 6.559 1.00 74.25 H new ATOM 0 HB3 PHE A 96 14.977 -7.037 6.956 1.00 74.25 H new ATOM 0 HD1 PHE A 96 17.879 -8.875 8.482 1.00 32.11 H new ATOM 0 HD2 PHE A 96 15.369 -5.423 8.689 1.00 34.15 H new ATOM 0 HE1 PHE A 96 19.333 -7.909 10.208 1.00 61.03 H new ATOM 0 HE2 PHE A 96 16.832 -4.463 10.408 1.00 73.24 H new ATOM 0 HZ PHE A 96 18.799 -5.719 11.193 1.00 62.24 H new ATOM 1692 N ASP B 9 -3.885 -8.861 16.796 1.00 33.13 N ATOM 1693 CA ASP B 9 -4.638 -7.602 16.950 1.00 42.12 C ATOM 1694 C ASP B 9 -5.029 -7.025 15.583 1.00 60.02 C ATOM 1695 O ASP B 9 -5.905 -6.158 15.491 1.00 31.31 O ATOM 1696 CB ASP B 9 -3.790 -6.594 17.770 1.00 54.32 C ATOM 1697 CG ASP B 9 -4.606 -5.404 18.297 1.00 33.15 C ATOM 1698 OD1 ASP B 9 -5.593 -5.651 19.025 1.00 44.54 O ATOM 1699 OD2 ASP B 9 -4.246 -4.235 18.042 1.00 60.23 O ATOM 0 HA ASP B 9 -5.564 -7.801 17.489 1.00 42.12 H new ATOM 0 HB2 ASP B 9 -3.333 -7.114 18.612 1.00 54.32 H new ATOM 0 HB3 ASP B 9 -2.977 -6.221 17.147 1.00 54.32 H new ATOM 1704 N ASN B 10 -4.390 -7.528 14.518 1.00 55.30 N ATOM 1705 CA ASN B 10 -4.745 -7.184 13.131 1.00 42.54 C ATOM 1706 C ASN B 10 -5.346 -8.412 12.425 1.00 40.31 C ATOM 1707 O ASN B 10 -5.278 -9.543 12.932 1.00 33.21 O ATOM 1708 CB ASN B 10 -3.497 -6.666 12.367 1.00 71.32 C ATOM 1709 CG ASN B 10 -2.489 -7.773 12.039 1.00 41.13 C ATOM 1710 OD1 ASN B 10 -1.635 -8.105 12.849 1.00 24.43 O ATOM 1711 ND2 ASN B 10 -2.596 -8.359 10.858 1.00 20.43 N ATOM 0 H ASN B 10 -3.613 -8.184 14.592 1.00 55.30 H new ATOM 0 HA ASN B 10 -5.491 -6.389 13.141 1.00 42.54 H new ATOM 0 HB2 ASN B 10 -3.818 -6.189 11.441 1.00 71.32 H new ATOM 0 HB3 ASN B 10 -3.004 -5.900 12.966 1.00 71.32 H new ATOM 0 HD21 ASN B 10 -1.956 -9.110 10.602 1.00 20.43 H new ATOM 0 HD22 ASN B 10 -3.319 -8.060 10.204 1.00 20.43 H new ATOM 1718 N VAL B 11 -5.909 -8.175 11.238 1.00 51.14 N ATOM 1719 CA VAL B 11 -6.456 -9.210 10.362 1.00 53.33 C ATOM 1720 C VAL B 11 -5.785 -9.057 8.995 1.00 53.31 C ATOM 1721 O VAL B 11 -5.448 -7.940 8.575 1.00 63.40 O ATOM 1722 CB VAL B 11 -8.033 -9.149 10.223 1.00 42.41 C ATOM 1723 CG1 VAL B 11 -8.727 -9.363 11.586 1.00 11.55 C ATOM 1724 CG2 VAL B 11 -8.530 -7.843 9.558 1.00 40.42 C ATOM 0 H VAL B 11 -5.999 -7.235 10.851 1.00 51.14 H new ATOM 0 HA VAL B 11 -6.245 -10.185 10.802 1.00 53.33 H new ATOM 0 HB VAL B 11 -8.309 -9.968 9.559 1.00 42.41 H new ATOM 0 HG11 VAL B 11 -9.808 -9.315 11.455 1.00 11.55 H new ATOM 0 HG12 VAL B 11 -8.453 -10.340 11.985 1.00 11.55 H new ATOM 0 HG13 VAL B 11 -8.411 -8.585 12.281 1.00 11.55 H new ATOM 0 HG21 VAL B 11 -9.618 -7.860 9.491 1.00 40.42 H new ATOM 0 HG22 VAL B 11 -8.217 -6.988 10.157 1.00 40.42 H new ATOM 0 HG23 VAL B 11 -8.106 -7.760 8.557 1.00 40.42 H new ATOM 1734 N ILE B 12 -5.552 -10.187 8.331 1.00 22.31 N ATOM 1735 CA ILE B 12 -4.857 -10.239 7.040 1.00 34.14 C ATOM 1736 C ILE B 12 -5.909 -10.258 5.904 1.00 41.32 C ATOM 1737 O ILE B 12 -6.395 -11.319 5.518 1.00 14.33 O ATOM 1738 CB ILE B 12 -3.930 -11.525 6.966 1.00 23.14 C ATOM 1739 CG1 ILE B 12 -3.065 -11.705 8.263 1.00 61.14 C ATOM 1740 CG2 ILE B 12 -3.023 -11.492 5.720 1.00 50.24 C ATOM 1741 CD1 ILE B 12 -1.974 -10.664 8.487 1.00 2.10 C ATOM 0 H ILE B 12 -5.842 -11.103 8.674 1.00 22.31 H new ATOM 0 HA ILE B 12 -4.222 -9.360 6.929 1.00 34.14 H new ATOM 0 HB ILE B 12 -4.596 -12.385 6.888 1.00 23.14 H new ATOM 0 HG12 ILE B 12 -3.732 -11.695 9.125 1.00 61.14 H new ATOM 0 HG13 ILE B 12 -2.599 -12.690 8.232 1.00 61.14 H new ATOM 0 HG21 ILE B 12 -2.401 -12.387 5.699 1.00 50.24 H new ATOM 0 HG22 ILE B 12 -3.640 -11.458 4.822 1.00 50.24 H new ATOM 0 HG23 ILE B 12 -2.386 -10.608 5.757 1.00 50.24 H new ATOM 0 HD11 ILE B 12 -1.442 -10.888 9.411 1.00 2.10 H new ATOM 0 HD12 ILE B 12 -1.275 -10.684 7.651 1.00 2.10 H new ATOM 0 HD13 ILE B 12 -2.425 -9.674 8.559 1.00 2.10 H new ATOM 1753 N LEU B 13 -6.289 -9.080 5.391 1.00 34.11 N ATOM 1754 CA LEU B 13 -7.337 -8.977 4.355 1.00 25.34 C ATOM 1755 C LEU B 13 -6.719 -9.137 2.968 1.00 61.51 C ATOM 1756 O LEU B 13 -6.156 -8.191 2.431 1.00 60.14 O ATOM 1757 CB LEU B 13 -8.091 -7.620 4.437 1.00 73.15 C ATOM 1758 CG LEU B 13 -8.866 -7.336 5.754 1.00 45.34 C ATOM 1759 CD1 LEU B 13 -9.662 -6.021 5.650 1.00 33.10 C ATOM 1760 CD2 LEU B 13 -9.787 -8.512 6.139 1.00 62.14 C ATOM 0 H LEU B 13 -5.890 -8.185 5.673 1.00 34.11 H new ATOM 0 HA LEU B 13 -8.057 -9.776 4.532 1.00 25.34 H new ATOM 0 HB2 LEU B 13 -7.368 -6.818 4.287 1.00 73.15 H new ATOM 0 HB3 LEU B 13 -8.797 -7.571 3.608 1.00 73.15 H new ATOM 0 HG LEU B 13 -8.130 -7.226 6.550 1.00 45.34 H new ATOM 0 HD11 LEU B 13 -10.196 -5.844 6.584 1.00 33.10 H new ATOM 0 HD12 LEU B 13 -8.977 -5.195 5.462 1.00 33.10 H new ATOM 0 HD13 LEU B 13 -10.378 -6.093 4.831 1.00 33.10 H new ATOM 0 HD21 LEU B 13 -10.311 -8.275 7.065 1.00 62.14 H new ATOM 0 HD22 LEU B 13 -10.513 -8.681 5.344 1.00 62.14 H new ATOM 0 HD23 LEU B 13 -9.188 -9.412 6.281 1.00 62.14 H new ATOM 1772 N GLU B 14 -6.840 -10.339 2.400 1.00 74.31 N ATOM 1773 CA GLU B 14 -6.299 -10.646 1.081 1.00 53.04 C ATOM 1774 C GLU B 14 -7.360 -10.275 0.039 1.00 41.12 C ATOM 1775 O GLU B 14 -8.294 -11.041 -0.212 1.00 72.33 O ATOM 1776 CB GLU B 14 -5.901 -12.153 0.996 1.00 21.12 C ATOM 1777 CG GLU B 14 -5.019 -12.554 -0.217 1.00 51.02 C ATOM 1778 CD GLU B 14 -5.695 -12.476 -1.598 1.00 41.14 C ATOM 1779 OE1 GLU B 14 -6.411 -13.429 -1.977 1.00 45.51 O ATOM 1780 OE2 GLU B 14 -5.484 -11.485 -2.326 1.00 14.14 O ATOM 0 H GLU B 14 -7.316 -11.124 2.844 1.00 74.31 H new ATOM 0 HA GLU B 14 -5.393 -10.071 0.890 1.00 53.04 H new ATOM 0 HB2 GLU B 14 -5.371 -12.421 1.910 1.00 21.12 H new ATOM 0 HB3 GLU B 14 -6.813 -12.749 0.970 1.00 21.12 H new ATOM 0 HG2 GLU B 14 -4.138 -11.912 -0.229 1.00 51.02 H new ATOM 0 HG3 GLU B 14 -4.667 -13.574 -0.064 1.00 51.02 H new ATOM 1787 N LEU B 15 -7.234 -9.077 -0.528 1.00 72.42 N ATOM 1788 CA LEU B 15 -8.103 -8.617 -1.612 1.00 64.22 C ATOM 1789 C LEU B 15 -7.299 -8.576 -2.925 1.00 54.21 C ATOM 1790 O LEU B 15 -6.339 -7.810 -3.071 1.00 22.44 O ATOM 1791 CB LEU B 15 -8.776 -7.256 -1.225 1.00 42.33 C ATOM 1792 CG LEU B 15 -7.843 -6.109 -0.661 1.00 53.02 C ATOM 1793 CD1 LEU B 15 -7.468 -5.074 -1.746 1.00 54.42 C ATOM 1794 CD2 LEU B 15 -8.468 -5.414 0.576 1.00 62.34 C ATOM 0 H LEU B 15 -6.527 -8.397 -0.250 1.00 72.42 H new ATOM 0 HA LEU B 15 -8.926 -9.313 -1.774 1.00 64.22 H new ATOM 0 HB2 LEU B 15 -9.285 -6.870 -2.108 1.00 42.33 H new ATOM 0 HB3 LEU B 15 -9.544 -7.461 -0.479 1.00 42.33 H new ATOM 0 HG LEU B 15 -6.920 -6.593 -0.340 1.00 53.02 H new ATOM 0 HD11 LEU B 15 -6.827 -4.307 -1.311 1.00 54.42 H new ATOM 0 HD12 LEU B 15 -6.938 -5.573 -2.557 1.00 54.42 H new ATOM 0 HD13 LEU B 15 -8.374 -4.611 -2.136 1.00 54.42 H new ATOM 0 HD21 LEU B 15 -7.796 -4.633 0.933 1.00 62.34 H new ATOM 0 HD22 LEU B 15 -9.425 -4.971 0.300 1.00 62.34 H new ATOM 0 HD23 LEU B 15 -8.623 -6.148 1.366 1.00 62.34 H new ATOM 1806 N THR B 16 -7.702 -9.448 -3.858 1.00 13.11 N ATOM 1807 CA THR B 16 -7.087 -9.583 -5.174 1.00 45.23 C ATOM 1808 C THR B 16 -7.715 -8.550 -6.106 1.00 1.13 C ATOM 1809 O THR B 16 -8.913 -8.608 -6.386 1.00 64.44 O ATOM 1810 CB THR B 16 -7.340 -11.008 -5.777 1.00 41.42 C ATOM 1811 OG1 THR B 16 -6.891 -12.016 -4.863 1.00 1.02 O ATOM 1812 CG2 THR B 16 -6.639 -11.182 -7.148 1.00 64.21 C ATOM 0 H THR B 16 -8.481 -10.090 -3.711 1.00 13.11 H new ATOM 0 HA THR B 16 -6.012 -9.432 -5.073 1.00 45.23 H new ATOM 0 HB THR B 16 -8.413 -11.116 -5.936 1.00 41.42 H new ATOM 0 HG1 THR B 16 -6.410 -11.594 -4.121 1.00 1.02 H new ATOM 0 HG21 THR B 16 -6.838 -12.182 -7.534 1.00 64.21 H new ATOM 0 HG22 THR B 16 -7.021 -10.440 -7.849 1.00 64.21 H new ATOM 0 HG23 THR B 16 -5.564 -11.047 -7.027 1.00 64.21 H new ATOM 1820 N VAL B 17 -6.905 -7.590 -6.545 1.00 32.01 N ATOM 1821 CA VAL B 17 -7.322 -6.524 -7.463 1.00 13.04 C ATOM 1822 C VAL B 17 -6.541 -6.649 -8.775 1.00 44.11 C ATOM 1823 O VAL B 17 -5.484 -7.269 -8.812 1.00 33.34 O ATOM 1824 CB VAL B 17 -7.104 -5.089 -6.847 1.00 1.15 C ATOM 1825 CG1 VAL B 17 -7.659 -5.011 -5.404 1.00 72.35 C ATOM 1826 CG2 VAL B 17 -5.621 -4.628 -6.917 1.00 53.14 C ATOM 0 H VAL B 17 -5.925 -7.526 -6.271 1.00 32.01 H new ATOM 0 HA VAL B 17 -8.390 -6.641 -7.646 1.00 13.04 H new ATOM 0 HB VAL B 17 -7.671 -4.391 -7.463 1.00 1.15 H new ATOM 0 HG11 VAL B 17 -7.495 -4.010 -5.005 1.00 72.35 H new ATOM 0 HG12 VAL B 17 -8.727 -5.227 -5.413 1.00 72.35 H new ATOM 0 HG13 VAL B 17 -7.146 -5.740 -4.777 1.00 72.35 H new ATOM 0 HG21 VAL B 17 -5.528 -3.634 -6.479 1.00 53.14 H new ATOM 0 HG22 VAL B 17 -4.996 -5.328 -6.363 1.00 53.14 H new ATOM 0 HG23 VAL B 17 -5.298 -4.598 -7.958 1.00 53.14 H new ATOM 1836 N ARG B 18 -7.106 -6.126 -9.851 1.00 41.31 N ATOM 1837 CA ARG B 18 -6.369 -5.872 -11.094 1.00 24.15 C ATOM 1838 C ARG B 18 -6.177 -4.355 -11.235 1.00 2.31 C ATOM 1839 O ARG B 18 -7.018 -3.582 -10.753 1.00 11.15 O ATOM 1840 CB ARG B 18 -7.114 -6.499 -12.286 1.00 2.03 C ATOM 1841 CG ARG B 18 -8.541 -5.974 -12.533 1.00 15.44 C ATOM 1842 CD ARG B 18 -9.294 -6.821 -13.566 1.00 35.31 C ATOM 1843 NE ARG B 18 -8.559 -6.964 -14.839 1.00 5.21 N ATOM 1844 CZ ARG B 18 -9.005 -7.638 -15.915 1.00 40.14 C ATOM 1845 NH1 ARG B 18 -10.194 -8.242 -15.903 1.00 1.32 N ATOM 1846 NH2 ARG B 18 -8.242 -7.725 -16.996 1.00 61.53 N ATOM 0 H ARG B 18 -8.090 -5.862 -9.895 1.00 41.31 H new ATOM 0 HA ARG B 18 -5.384 -6.338 -11.072 1.00 24.15 H new ATOM 0 HB2 ARG B 18 -6.524 -6.333 -13.188 1.00 2.03 H new ATOM 0 HB3 ARG B 18 -7.165 -7.577 -12.133 1.00 2.03 H new ATOM 0 HG2 ARG B 18 -9.094 -5.972 -11.594 1.00 15.44 H new ATOM 0 HG3 ARG B 18 -8.493 -4.941 -12.877 1.00 15.44 H new ATOM 0 HD2 ARG B 18 -9.483 -7.810 -13.149 1.00 35.31 H new ATOM 0 HD3 ARG B 18 -10.265 -6.367 -13.762 1.00 35.31 H new ATOM 0 HE ARG B 18 -7.644 -6.518 -14.908 1.00 5.21 H new ATOM 0 HH11 ARG B 18 -10.780 -8.197 -15.070 1.00 1.32 H new ATOM 0 HH12 ARG B 18 -10.517 -8.749 -16.727 1.00 1.32 H new ATOM 0 HH21 ARG B 18 -7.323 -7.283 -17.009 1.00 61.53 H new ATOM 0 HH22 ARG B 18 -8.574 -8.234 -17.815 1.00 61.53 H new ATOM 1860 N ASN B 19 -5.065 -3.945 -11.877 1.00 51.40 N ATOM 1861 CA ASN B 19 -4.580 -2.548 -11.854 1.00 65.12 C ATOM 1862 C ASN B 19 -5.449 -1.610 -12.722 1.00 72.12 C ATOM 1863 O ASN B 19 -5.165 -1.366 -13.900 1.00 32.35 O ATOM 1864 CB ASN B 19 -3.071 -2.471 -12.261 1.00 14.31 C ATOM 1865 CG ASN B 19 -2.130 -3.240 -11.309 1.00 4.03 C ATOM 1866 OD1 ASN B 19 -2.494 -4.285 -10.762 1.00 21.10 O ATOM 1867 ND2 ASN B 19 -0.922 -2.728 -11.088 1.00 75.34 N ATOM 0 H ASN B 19 -4.477 -4.572 -12.426 1.00 51.40 H new ATOM 0 HA ASN B 19 -4.671 -2.194 -10.827 1.00 65.12 H new ATOM 0 HB2 ASN B 19 -2.956 -2.867 -13.270 1.00 14.31 H new ATOM 0 HB3 ASN B 19 -2.766 -1.425 -12.293 1.00 14.31 H new ATOM 0 HD21 ASN B 19 -0.276 -3.200 -10.456 1.00 75.34 H new ATOM 0 HD22 ASN B 19 -0.642 -1.863 -11.551 1.00 75.34 H new ATOM 1874 N HIS B 20 -6.560 -1.169 -12.119 1.00 12.23 N ATOM 1875 CA HIS B 20 -7.388 -0.034 -12.582 1.00 43.53 C ATOM 1876 C HIS B 20 -6.706 1.297 -12.175 1.00 14.50 C ATOM 1877 O HIS B 20 -5.866 1.293 -11.264 1.00 52.12 O ATOM 1878 CB HIS B 20 -8.811 -0.116 -11.938 1.00 74.01 C ATOM 1879 CG HIS B 20 -9.716 -1.172 -12.491 1.00 12.11 C ATOM 1880 ND1 HIS B 20 -10.956 -0.891 -13.020 1.00 11.14 N ATOM 1881 CD2 HIS B 20 -9.585 -2.513 -12.546 1.00 64.53 C ATOM 1882 CE1 HIS B 20 -11.546 -2.008 -13.376 1.00 71.32 C ATOM 1883 NE2 HIS B 20 -10.737 -3.009 -13.097 1.00 23.53 N ATOM 0 H HIS B 20 -6.924 -1.601 -11.270 1.00 12.23 H new ATOM 0 HA HIS B 20 -7.487 -0.077 -13.667 1.00 43.53 H new ATOM 0 HB2 HIS B 20 -8.696 -0.287 -10.868 1.00 74.01 H new ATOM 0 HB3 HIS B 20 -9.299 0.852 -12.055 1.00 74.01 H new ATOM 0 HD2 HIS B 20 -8.732 -3.088 -12.217 1.00 64.53 H new ATOM 0 HE1 HIS B 20 -12.526 -2.092 -13.821 1.00 71.32 H new ATOM 0 HE2 HIS B 20 -10.936 -3.995 -13.264 1.00 23.53 H new ATOM 1892 N PRO B 21 -7.039 2.453 -12.840 1.00 13.12 N ATOM 1893 CA PRO B 21 -6.495 3.773 -12.446 1.00 12.34 C ATOM 1894 C PRO B 21 -6.857 4.160 -10.986 1.00 13.31 C ATOM 1895 O PRO B 21 -7.989 4.577 -10.700 1.00 0.34 O ATOM 1896 CB PRO B 21 -7.119 4.756 -13.477 1.00 35.11 C ATOM 1897 CG PRO B 21 -7.507 3.896 -14.644 1.00 52.32 C ATOM 1898 CD PRO B 21 -7.910 2.564 -14.047 1.00 62.05 C ATOM 0 HA PRO B 21 -5.405 3.784 -12.458 1.00 12.34 H new ATOM 0 HB2 PRO B 21 -7.985 5.269 -13.059 1.00 35.11 H new ATOM 0 HB3 PRO B 21 -6.405 5.524 -13.773 1.00 35.11 H new ATOM 0 HG2 PRO B 21 -8.330 4.341 -15.203 1.00 52.32 H new ATOM 0 HG3 PRO B 21 -6.676 3.779 -15.339 1.00 52.32 H new ATOM 0 HD2 PRO B 21 -8.967 2.544 -13.783 1.00 62.05 H new ATOM 0 HD3 PRO B 21 -7.740 1.743 -14.743 1.00 62.05 H new ATOM 1906 N GLY B 22 -5.886 3.970 -10.078 1.00 71.50 N ATOM 1907 CA GLY B 22 -6.000 4.397 -8.687 1.00 2.05 C ATOM 1908 C GLY B 22 -6.742 3.413 -7.789 1.00 34.11 C ATOM 1909 O GLY B 22 -7.481 3.849 -6.901 1.00 52.43 O ATOM 0 H GLY B 22 -5.000 3.514 -10.295 1.00 71.50 H new ATOM 0 HA2 GLY B 22 -5.000 4.556 -8.284 1.00 2.05 H new ATOM 0 HA3 GLY B 22 -6.513 5.358 -8.655 1.00 2.05 H new ATOM 1913 N VAL B 23 -6.532 2.087 -7.989 1.00 62.22 N ATOM 1914 CA VAL B 23 -7.107 1.054 -7.083 1.00 45.32 C ATOM 1915 C VAL B 23 -6.602 1.262 -5.657 1.00 11.31 C ATOM 1916 O VAL B 23 -7.349 1.154 -4.689 1.00 72.22 O ATOM 1917 CB VAL B 23 -6.743 -0.422 -7.473 1.00 45.03 C ATOM 1918 CG1 VAL B 23 -7.543 -1.414 -6.600 1.00 12.35 C ATOM 1919 CG2 VAL B 23 -6.971 -0.695 -8.952 1.00 2.51 C ATOM 0 H VAL B 23 -5.977 1.710 -8.757 1.00 62.22 H new ATOM 0 HA VAL B 23 -8.186 1.180 -7.171 1.00 45.32 H new ATOM 0 HB VAL B 23 -5.679 -0.563 -7.285 1.00 45.03 H new ATOM 0 HG11 VAL B 23 -7.283 -2.435 -6.879 1.00 12.35 H new ATOM 0 HG12 VAL B 23 -7.301 -1.252 -5.550 1.00 12.35 H new ATOM 0 HG13 VAL B 23 -8.610 -1.256 -6.755 1.00 12.35 H new ATOM 0 HG21 VAL B 23 -6.706 -1.728 -9.176 1.00 2.51 H new ATOM 0 HG22 VAL B 23 -8.020 -0.529 -9.195 1.00 2.51 H new ATOM 0 HG23 VAL B 23 -6.350 -0.024 -9.546 1.00 2.51 H new ATOM 1929 N MET B 24 -5.302 1.543 -5.570 1.00 50.53 N ATOM 1930 CA MET B 24 -4.615 1.831 -4.315 1.00 31.23 C ATOM 1931 C MET B 24 -5.303 2.992 -3.559 1.00 31.50 C ATOM 1932 O MET B 24 -5.452 2.933 -2.346 1.00 41.34 O ATOM 1933 CB MET B 24 -3.109 2.103 -4.584 1.00 43.44 C ATOM 1934 CG MET B 24 -2.789 3.217 -5.608 1.00 11.13 C ATOM 1935 SD MET B 24 -3.232 2.799 -7.318 1.00 0.43 S ATOM 1936 CE MET B 24 -2.200 1.369 -7.645 1.00 74.51 C ATOM 0 H MET B 24 -4.688 1.577 -6.384 1.00 50.53 H new ATOM 0 HA MET B 24 -4.679 0.959 -3.664 1.00 31.23 H new ATOM 0 HB2 MET B 24 -2.633 2.360 -3.638 1.00 43.44 H new ATOM 0 HB3 MET B 24 -2.650 1.177 -4.930 1.00 43.44 H new ATOM 0 HG2 MET B 24 -3.318 4.125 -5.318 1.00 11.13 H new ATOM 0 HG3 MET B 24 -1.723 3.441 -5.564 1.00 11.13 H new ATOM 0 HE1 MET B 24 -1.751 1.463 -8.634 1.00 74.51 H new ATOM 0 HE2 MET B 24 -1.413 1.308 -6.893 1.00 74.51 H new ATOM 0 HE3 MET B 24 -2.808 0.465 -7.607 1.00 74.51 H new ATOM 1946 N THR B 25 -5.788 4.004 -4.300 1.00 51.24 N ATOM 1947 CA THR B 25 -6.529 5.138 -3.717 1.00 2.20 C ATOM 1948 C THR B 25 -7.932 4.687 -3.229 1.00 14.50 C ATOM 1949 O THR B 25 -8.436 5.182 -2.211 1.00 51.45 O ATOM 1950 CB THR B 25 -6.662 6.299 -4.760 1.00 3.55 C ATOM 1951 OG1 THR B 25 -5.398 6.499 -5.415 1.00 23.21 O ATOM 1952 CG2 THR B 25 -7.099 7.626 -4.107 1.00 60.35 C ATOM 0 H THR B 25 -5.679 4.060 -5.313 1.00 51.24 H new ATOM 0 HA THR B 25 -5.969 5.505 -2.857 1.00 2.20 H new ATOM 0 HB THR B 25 -7.431 6.007 -5.476 1.00 3.55 H new ATOM 0 HG1 THR B 25 -5.480 7.224 -6.069 1.00 23.21 H new ATOM 0 HG21 THR B 25 -7.177 8.399 -4.871 1.00 60.35 H new ATOM 0 HG22 THR B 25 -8.068 7.493 -3.626 1.00 60.35 H new ATOM 0 HG23 THR B 25 -6.362 7.925 -3.362 1.00 60.35 H new ATOM 1960 N HIS B 26 -8.538 3.727 -3.966 1.00 44.33 N ATOM 1961 CA HIS B 26 -9.868 3.160 -3.635 1.00 24.24 C ATOM 1962 C HIS B 26 -9.818 2.400 -2.294 1.00 42.52 C ATOM 1963 O HIS B 26 -10.622 2.672 -1.393 1.00 1.11 O ATOM 1964 CB HIS B 26 -10.380 2.210 -4.764 1.00 33.54 C ATOM 1965 CG HIS B 26 -10.723 2.886 -6.068 1.00 73.43 C ATOM 1966 ND1 HIS B 26 -11.453 2.273 -7.066 1.00 64.12 N ATOM 1967 CD2 HIS B 26 -10.451 4.127 -6.532 1.00 4.04 C ATOM 1968 CE1 HIS B 26 -11.609 3.109 -8.074 1.00 71.53 C ATOM 1969 NE2 HIS B 26 -11.012 4.236 -7.773 1.00 44.23 N ATOM 0 H HIS B 26 -8.121 3.324 -4.805 1.00 44.33 H new ATOM 0 HA HIS B 26 -10.565 3.993 -3.546 1.00 24.24 H new ATOM 0 HB2 HIS B 26 -9.617 1.455 -4.955 1.00 33.54 H new ATOM 0 HB3 HIS B 26 -11.264 1.686 -4.402 1.00 33.54 H new ATOM 0 HD2 HIS B 26 -9.892 4.893 -6.015 1.00 4.04 H new ATOM 0 HE1 HIS B 26 -12.139 2.900 -8.992 1.00 71.53 H new ATOM 0 HE2 HIS B 26 -10.972 5.062 -8.370 1.00 44.23 H new ATOM 1978 N VAL B 27 -8.851 1.466 -2.167 1.00 43.23 N ATOM 1979 CA VAL B 27 -8.719 0.603 -0.974 1.00 71.41 C ATOM 1980 C VAL B 27 -8.355 1.449 0.265 1.00 31.13 C ATOM 1981 O VAL B 27 -8.884 1.234 1.353 1.00 51.51 O ATOM 1982 CB VAL B 27 -7.675 -0.568 -1.196 1.00 52.45 C ATOM 1983 CG1 VAL B 27 -7.999 -1.356 -2.486 1.00 32.21 C ATOM 1984 CG2 VAL B 27 -6.206 -0.075 -1.204 1.00 12.20 C ATOM 0 H VAL B 27 -8.145 1.290 -2.882 1.00 43.23 H new ATOM 0 HA VAL B 27 -9.686 0.131 -0.800 1.00 71.41 H new ATOM 0 HB VAL B 27 -7.772 -1.237 -0.341 1.00 52.45 H new ATOM 0 HG11 VAL B 27 -7.269 -2.155 -2.618 1.00 32.21 H new ATOM 0 HG12 VAL B 27 -8.998 -1.786 -2.408 1.00 32.21 H new ATOM 0 HG13 VAL B 27 -7.959 -0.683 -3.343 1.00 32.21 H new ATOM 0 HG21 VAL B 27 -5.539 -0.923 -1.360 1.00 12.20 H new ATOM 0 HG22 VAL B 27 -6.069 0.648 -2.009 1.00 12.20 H new ATOM 0 HG23 VAL B 27 -5.976 0.397 -0.249 1.00 12.20 H new ATOM 1994 N CYS B 28 -7.493 2.454 0.057 1.00 50.23 N ATOM 1995 CA CYS B 28 -7.065 3.382 1.108 1.00 21.52 C ATOM 1996 C CYS B 28 -8.234 4.268 1.583 1.00 55.21 C ATOM 1997 O CYS B 28 -8.306 4.625 2.766 1.00 72.43 O ATOM 1998 CB CYS B 28 -5.896 4.229 0.588 1.00 22.12 C ATOM 1999 SG CYS B 28 -4.395 3.270 0.278 1.00 64.54 S ATOM 0 H CYS B 28 -7.072 2.645 -0.852 1.00 50.23 H new ATOM 0 HA CYS B 28 -6.731 2.810 1.974 1.00 21.52 H new ATOM 0 HB2 CYS B 28 -6.198 4.724 -0.335 1.00 22.12 H new ATOM 0 HB3 CYS B 28 -5.674 5.012 1.313 1.00 22.12 H new ATOM 0 HG CYS B 28 -3.732 3.807 -0.702 1.00 64.54 H new ATOM 2005 N GLY B 29 -9.152 4.584 0.648 1.00 13.24 N ATOM 2006 CA GLY B 29 -10.379 5.316 0.963 1.00 43.44 C ATOM 2007 C GLY B 29 -11.308 4.522 1.878 1.00 34.13 C ATOM 2008 O GLY B 29 -11.907 5.087 2.788 1.00 64.12 O ATOM 0 H GLY B 29 -9.058 4.338 -0.337 1.00 13.24 H new ATOM 0 HA2 GLY B 29 -10.123 6.262 1.441 1.00 43.44 H new ATOM 0 HA3 GLY B 29 -10.903 5.558 0.038 1.00 43.44 H new ATOM 2012 N LEU B 30 -11.383 3.199 1.634 1.00 51.30 N ATOM 2013 CA LEU B 30 -12.216 2.243 2.408 1.00 52.02 C ATOM 2014 C LEU B 30 -11.876 2.255 3.916 1.00 10.53 C ATOM 2015 O LEU B 30 -12.760 2.395 4.771 1.00 12.13 O ATOM 2016 CB LEU B 30 -12.049 0.801 1.817 1.00 42.31 C ATOM 2017 CG LEU B 30 -13.162 0.323 0.836 1.00 73.35 C ATOM 2018 CD1 LEU B 30 -14.487 0.074 1.583 1.00 25.13 C ATOM 2019 CD2 LEU B 30 -13.361 1.300 -0.353 1.00 53.54 C ATOM 0 H LEU B 30 -10.859 2.752 0.882 1.00 51.30 H new ATOM 0 HA LEU B 30 -13.256 2.558 2.317 1.00 52.02 H new ATOM 0 HB2 LEU B 30 -11.092 0.753 1.298 1.00 42.31 H new ATOM 0 HB3 LEU B 30 -11.998 0.095 2.646 1.00 42.31 H new ATOM 0 HG LEU B 30 -12.827 -0.623 0.411 1.00 73.35 H new ATOM 0 HD11 LEU B 30 -15.247 -0.259 0.876 1.00 25.13 H new ATOM 0 HD12 LEU B 30 -14.338 -0.693 2.343 1.00 25.13 H new ATOM 0 HD13 LEU B 30 -14.815 0.998 2.060 1.00 25.13 H new ATOM 0 HD21 LEU B 30 -14.147 0.922 -1.007 1.00 53.54 H new ATOM 0 HD22 LEU B 30 -13.645 2.281 0.026 1.00 53.54 H new ATOM 0 HD23 LEU B 30 -12.431 1.384 -0.915 1.00 53.54 H new ATOM 2031 N PHE B 31 -10.588 2.102 4.226 1.00 21.34 N ATOM 2032 CA PHE B 31 -10.112 1.969 5.619 1.00 31.31 C ATOM 2033 C PHE B 31 -10.012 3.335 6.320 1.00 13.44 C ATOM 2034 O PHE B 31 -10.191 3.422 7.542 1.00 44.12 O ATOM 2035 CB PHE B 31 -8.779 1.178 5.642 1.00 10.11 C ATOM 2036 CG PHE B 31 -8.955 -0.226 5.054 1.00 3.25 C ATOM 2037 CD1 PHE B 31 -9.583 -1.234 5.787 1.00 33.40 C ATOM 2038 CD2 PHE B 31 -8.561 -0.517 3.747 1.00 61.33 C ATOM 2039 CE1 PHE B 31 -9.796 -2.483 5.235 1.00 31.14 C ATOM 2040 CE2 PHE B 31 -8.769 -1.770 3.197 1.00 5.44 C ATOM 2041 CZ PHE B 31 -9.393 -2.751 3.938 1.00 14.23 C ATOM 0 H PHE B 31 -9.843 2.066 3.530 1.00 21.34 H new ATOM 0 HA PHE B 31 -10.844 1.401 6.192 1.00 31.31 H new ATOM 0 HB2 PHE B 31 -8.022 1.720 5.075 1.00 10.11 H new ATOM 0 HB3 PHE B 31 -8.416 1.103 6.667 1.00 10.11 H new ATOM 0 HD1 PHE B 31 -9.907 -1.036 6.798 1.00 33.40 H new ATOM 0 HD2 PHE B 31 -8.085 0.250 3.154 1.00 61.33 H new ATOM 0 HE1 PHE B 31 -10.279 -3.253 5.818 1.00 31.14 H new ATOM 0 HE2 PHE B 31 -8.443 -1.979 2.189 1.00 5.44 H new ATOM 0 HZ PHE B 31 -9.567 -3.726 3.508 1.00 14.23 H new ATOM 2051 N ALA B 32 -9.764 4.398 5.534 1.00 64.20 N ATOM 2052 CA ALA B 32 -9.746 5.787 6.041 1.00 1.21 C ATOM 2053 C ALA B 32 -11.157 6.252 6.478 1.00 33.41 C ATOM 2054 O ALA B 32 -11.300 6.961 7.479 1.00 4.25 O ATOM 2055 CB ALA B 32 -9.178 6.740 4.977 1.00 14.54 C ATOM 0 H ALA B 32 -9.571 4.322 4.535 1.00 64.20 H new ATOM 0 HA ALA B 32 -9.100 5.809 6.919 1.00 1.21 H new ATOM 0 HB1 ALA B 32 -9.172 7.758 5.366 1.00 14.54 H new ATOM 0 HB2 ALA B 32 -8.160 6.441 4.727 1.00 14.54 H new ATOM 0 HB3 ALA B 32 -9.799 6.698 4.082 1.00 14.54 H new ATOM 2061 N ARG B 33 -12.194 5.836 5.720 1.00 75.44 N ATOM 2062 CA ARG B 33 -13.601 6.236 5.990 1.00 12.10 C ATOM 2063 C ARG B 33 -14.267 5.316 7.041 1.00 11.21 C ATOM 2064 O ARG B 33 -15.404 5.575 7.461 1.00 72.44 O ATOM 2065 CB ARG B 33 -14.429 6.231 4.674 1.00 12.01 C ATOM 2066 CG ARG B 33 -14.748 4.827 4.119 1.00 42.11 C ATOM 2067 CD ARG B 33 -15.464 4.848 2.760 1.00 1.13 C ATOM 2068 NE ARG B 33 -16.787 5.498 2.834 1.00 34.20 N ATOM 2069 CZ ARG B 33 -17.811 5.291 1.988 1.00 22.12 C ATOM 2070 NH1 ARG B 33 -17.707 4.432 0.974 1.00 11.43 N ATOM 2071 NH2 ARG B 33 -18.946 5.949 2.173 1.00 1.34 N ATOM 0 H ARG B 33 -12.088 5.221 4.913 1.00 75.44 H new ATOM 0 HA ARG B 33 -13.581 7.247 6.397 1.00 12.10 H new ATOM 0 HB2 ARG B 33 -15.366 6.760 4.848 1.00 12.01 H new ATOM 0 HB3 ARG B 33 -13.883 6.792 3.915 1.00 12.01 H new ATOM 0 HG2 ARG B 33 -13.819 4.265 4.022 1.00 42.11 H new ATOM 0 HG3 ARG B 33 -15.369 4.294 4.839 1.00 42.11 H new ATOM 0 HD2 ARG B 33 -14.844 5.373 2.033 1.00 1.13 H new ATOM 0 HD3 ARG B 33 -15.583 3.827 2.399 1.00 1.13 H new ATOM 0 HE ARG B 33 -16.937 6.162 3.593 1.00 34.20 H new ATOM 0 HH11 ARG B 33 -16.838 3.917 0.829 1.00 11.43 H new ATOM 0 HH12 ARG B 33 -18.496 4.289 0.343 1.00 11.43 H new ATOM 0 HH21 ARG B 33 -19.035 6.604 2.950 1.00 1.34 H new ATOM 0 HH22 ARG B 33 -19.731 5.801 1.538 1.00 1.34 H new ATOM 2085 N ARG B 34 -13.555 4.239 7.445 1.00 12.45 N ATOM 2086 CA ARG B 34 -14.060 3.258 8.419 1.00 24.21 C ATOM 2087 C ARG B 34 -14.168 3.917 9.805 1.00 72.43 C ATOM 2088 O ARG B 34 -15.275 4.195 10.283 1.00 24.25 O ATOM 2089 CB ARG B 34 -13.123 2.016 8.465 1.00 0.32 C ATOM 2090 CG ARG B 34 -13.527 0.930 9.491 1.00 0.33 C ATOM 2091 CD ARG B 34 -12.513 -0.225 9.566 1.00 75.05 C ATOM 2092 NE ARG B 34 -11.160 0.243 9.946 1.00 50.41 N ATOM 2093 CZ ARG B 34 -10.350 -0.355 10.837 1.00 35.11 C ATOM 2094 NH1 ARG B 34 -10.709 -1.470 11.460 1.00 72.41 N ATOM 2095 NH2 ARG B 34 -9.161 0.164 11.081 1.00 30.10 N ATOM 0 H ARG B 34 -12.617 4.030 7.103 1.00 12.45 H new ATOM 0 HA ARG B 34 -15.051 2.922 8.115 1.00 24.21 H new ATOM 0 HB2 ARG B 34 -13.094 1.565 7.473 1.00 0.32 H new ATOM 0 HB3 ARG B 34 -12.111 2.351 8.693 1.00 0.32 H new ATOM 0 HG2 ARG B 34 -13.625 1.386 10.476 1.00 0.33 H new ATOM 0 HG3 ARG B 34 -14.506 0.531 9.225 1.00 0.33 H new ATOM 0 HD2 ARG B 34 -12.858 -0.962 10.291 1.00 75.05 H new ATOM 0 HD3 ARG B 34 -12.464 -0.727 8.600 1.00 75.05 H new ATOM 0 HE ARG B 34 -10.814 1.089 9.494 1.00 50.41 H new ATOM 0 HH11 ARG B 34 -11.617 -1.892 11.267 1.00 72.41 H new ATOM 0 HH12 ARG B 34 -10.077 -1.905 12.132 1.00 72.41 H new ATOM 0 HH21 ARG B 34 -8.865 1.011 10.595 1.00 30.10 H new ATOM 0 HH22 ARG B 34 -8.539 -0.282 11.755 1.00 30.10 H new ATOM 2109 N ALA B 35 -12.991 4.198 10.397 1.00 72.43 N ATOM 2110 CA ALA B 35 -12.854 4.812 11.733 1.00 53.43 C ATOM 2111 C ALA B 35 -11.362 4.945 12.076 1.00 45.53 C ATOM 2112 O ALA B 35 -10.873 6.033 12.388 1.00 65.04 O ATOM 2113 CB ALA B 35 -13.597 4.008 12.822 1.00 34.42 C ATOM 0 H ALA B 35 -12.094 4.002 9.953 1.00 72.43 H new ATOM 0 HA ALA B 35 -13.315 5.799 11.705 1.00 53.43 H new ATOM 0 HB1 ALA B 35 -13.468 4.497 13.787 1.00 34.42 H new ATOM 0 HB2 ALA B 35 -14.658 3.960 12.578 1.00 34.42 H new ATOM 0 HB3 ALA B 35 -13.190 2.998 12.870 1.00 34.42 H new ATOM 2119 N PHE B 36 -10.652 3.811 11.990 1.00 4.10 N ATOM 2120 CA PHE B 36 -9.202 3.716 12.262 1.00 73.30 C ATOM 2121 C PHE B 36 -8.472 3.364 10.952 1.00 0.52 C ATOM 2122 O PHE B 36 -9.078 2.796 10.031 1.00 63.13 O ATOM 2123 CB PHE B 36 -8.947 2.643 13.368 1.00 23.24 C ATOM 2124 CG PHE B 36 -7.478 2.374 13.719 1.00 30.21 C ATOM 2125 CD1 PHE B 36 -6.737 3.294 14.455 1.00 30.13 C ATOM 2126 CD2 PHE B 36 -6.842 1.199 13.315 1.00 51.30 C ATOM 2127 CE1 PHE B 36 -5.411 3.056 14.766 1.00 1.23 C ATOM 2128 CE2 PHE B 36 -5.518 0.959 13.625 1.00 22.11 C ATOM 2129 CZ PHE B 36 -4.803 1.887 14.354 1.00 3.55 C ATOM 0 H PHE B 36 -11.070 2.919 11.726 1.00 4.10 H new ATOM 0 HA PHE B 36 -8.817 4.668 12.627 1.00 73.30 H new ATOM 0 HB2 PHE B 36 -9.465 2.955 14.275 1.00 23.24 H new ATOM 0 HB3 PHE B 36 -9.401 1.705 13.048 1.00 23.24 H new ATOM 0 HD1 PHE B 36 -7.205 4.208 14.788 1.00 30.13 H new ATOM 0 HD2 PHE B 36 -7.396 0.464 12.750 1.00 51.30 H new ATOM 0 HE1 PHE B 36 -4.850 3.785 15.332 1.00 1.23 H new ATOM 0 HE2 PHE B 36 -5.043 0.046 13.297 1.00 22.11 H new ATOM 0 HZ PHE B 36 -3.769 1.699 14.602 1.00 3.55 H new ATOM 2139 N ASN B 37 -7.169 3.674 10.892 1.00 54.02 N ATOM 2140 CA ASN B 37 -6.328 3.479 9.694 1.00 21.22 C ATOM 2141 C ASN B 37 -5.819 2.029 9.556 1.00 30.13 C ATOM 2142 O ASN B 37 -6.270 1.116 10.258 1.00 30.10 O ATOM 2143 CB ASN B 37 -5.126 4.465 9.744 1.00 14.03 C ATOM 2144 CG ASN B 37 -5.488 5.922 9.454 1.00 33.05 C ATOM 2145 OD1 ASN B 37 -4.692 6.634 8.863 1.00 44.24 O ATOM 2146 ND2 ASN B 37 -6.664 6.386 9.875 1.00 35.14 N ATOM 0 H ASN B 37 -6.660 4.072 11.681 1.00 54.02 H new ATOM 0 HA ASN B 37 -6.946 3.681 8.819 1.00 21.22 H new ATOM 0 HB2 ASN B 37 -4.666 4.408 10.731 1.00 14.03 H new ATOM 0 HB3 ASN B 37 -4.376 4.140 9.023 1.00 14.03 H new ATOM 0 HD21 ASN B 37 -6.918 7.359 9.706 1.00 35.14 H new ATOM 0 HD22 ASN B 37 -7.310 5.768 10.366 1.00 35.14 H new ATOM 2153 N VAL B 38 -4.890 1.847 8.605 1.00 65.43 N ATOM 2154 CA VAL B 38 -4.198 0.574 8.344 1.00 41.31 C ATOM 2155 C VAL B 38 -2.930 0.467 9.221 1.00 53.31 C ATOM 2156 O VAL B 38 -2.299 1.490 9.533 1.00 61.12 O ATOM 2157 CB VAL B 38 -3.789 0.493 6.819 1.00 75.15 C ATOM 2158 CG1 VAL B 38 -3.036 -0.809 6.487 1.00 10.54 C ATOM 2159 CG2 VAL B 38 -5.019 0.650 5.904 1.00 14.14 C ATOM 0 H VAL B 38 -4.592 2.597 7.982 1.00 65.43 H new ATOM 0 HA VAL B 38 -4.871 -0.248 8.587 1.00 41.31 H new ATOM 0 HB VAL B 38 -3.108 1.323 6.633 1.00 75.15 H new ATOM 0 HG11 VAL B 38 -2.776 -0.819 5.429 1.00 10.54 H new ATOM 0 HG12 VAL B 38 -2.126 -0.866 7.085 1.00 10.54 H new ATOM 0 HG13 VAL B 38 -3.672 -1.665 6.713 1.00 10.54 H new ATOM 0 HG21 VAL B 38 -4.707 0.590 4.861 1.00 14.14 H new ATOM 0 HG22 VAL B 38 -5.733 -0.146 6.115 1.00 14.14 H new ATOM 0 HG23 VAL B 38 -5.488 1.617 6.087 1.00 14.14 H new ATOM 2169 N GLU B 39 -2.576 -0.769 9.622 1.00 64.32 N ATOM 2170 CA GLU B 39 -1.281 -1.068 10.252 1.00 2.05 C ATOM 2171 C GLU B 39 -0.194 -1.133 9.154 1.00 73.32 C ATOM 2172 O GLU B 39 0.721 -0.301 9.120 1.00 61.00 O ATOM 2173 CB GLU B 39 -1.364 -2.410 11.042 1.00 52.30 C ATOM 2174 CG GLU B 39 -0.091 -2.785 11.831 1.00 23.45 C ATOM 2175 CD GLU B 39 0.252 -1.782 12.955 1.00 23.22 C ATOM 2176 OE1 GLU B 39 -0.234 -1.959 14.093 1.00 4.51 O ATOM 2177 OE2 GLU B 39 0.998 -0.812 12.712 1.00 22.52 O ATOM 0 H GLU B 39 -3.180 -1.585 9.518 1.00 64.32 H new ATOM 0 HA GLU B 39 -1.022 -0.282 10.962 1.00 2.05 H new ATOM 0 HB2 GLU B 39 -2.201 -2.353 11.738 1.00 52.30 H new ATOM 0 HB3 GLU B 39 -1.588 -3.214 10.340 1.00 52.30 H new ATOM 0 HG2 GLU B 39 -0.221 -3.776 12.266 1.00 23.45 H new ATOM 0 HG3 GLU B 39 0.750 -2.847 11.141 1.00 23.45 H new ATOM 2184 N GLY B 40 -0.353 -2.097 8.219 1.00 33.30 N ATOM 2185 CA GLY B 40 0.614 -2.316 7.133 1.00 50.12 C ATOM 2186 C GLY B 40 -0.053 -2.778 5.844 1.00 74.32 C ATOM 2187 O GLY B 40 -1.071 -3.462 5.885 1.00 42.42 O ATOM 0 H GLY B 40 -1.148 -2.736 8.200 1.00 33.30 H new ATOM 0 HA2 GLY B 40 1.160 -1.392 6.945 1.00 50.12 H new ATOM 0 HA3 GLY B 40 1.346 -3.060 7.447 1.00 50.12 H new ATOM 2191 N ILE B 41 0.516 -2.387 4.691 1.00 10.02 N ATOM 2192 CA ILE B 41 -0.023 -2.728 3.355 1.00 14.23 C ATOM 2193 C ILE B 41 0.997 -3.605 2.619 1.00 22.11 C ATOM 2194 O ILE B 41 2.201 -3.309 2.639 1.00 65.33 O ATOM 2195 CB ILE B 41 -0.302 -1.436 2.482 1.00 65.21 C ATOM 2196 CG1 ILE B 41 -1.140 -0.386 3.278 1.00 11.33 C ATOM 2197 CG2 ILE B 41 -0.996 -1.791 1.137 1.00 64.32 C ATOM 2198 CD1 ILE B 41 -1.275 0.961 2.588 1.00 22.44 C ATOM 0 H ILE B 41 1.366 -1.824 4.655 1.00 10.02 H new ATOM 0 HA ILE B 41 -0.968 -3.253 3.497 1.00 14.23 H new ATOM 0 HB ILE B 41 0.665 -0.991 2.248 1.00 65.21 H new ATOM 0 HG12 ILE B 41 -2.136 -0.792 3.454 1.00 11.33 H new ATOM 0 HG13 ILE B 41 -0.679 -0.236 4.255 1.00 11.33 H new ATOM 0 HG21 ILE B 41 -1.171 -0.879 0.566 1.00 64.32 H new ATOM 0 HG22 ILE B 41 -0.356 -2.461 0.563 1.00 64.32 H new ATOM 0 HG23 ILE B 41 -1.948 -2.282 1.337 1.00 64.32 H new ATOM 0 HD11 ILE B 41 -1.871 1.630 3.209 1.00 22.44 H new ATOM 0 HD12 ILE B 41 -0.286 1.393 2.436 1.00 22.44 H new ATOM 0 HD13 ILE B 41 -1.765 0.828 1.623 1.00 22.44 H new ATOM 2210 N LEU B 42 0.515 -4.659 1.950 1.00 53.40 N ATOM 2211 CA LEU B 42 1.361 -5.529 1.130 1.00 1.22 C ATOM 2212 C LEU B 42 0.685 -5.752 -0.224 1.00 51.20 C ATOM 2213 O LEU B 42 -0.069 -6.705 -0.411 1.00 55.23 O ATOM 2214 CB LEU B 42 1.633 -6.867 1.869 1.00 43.13 C ATOM 2215 CG LEU B 42 2.591 -7.868 1.155 1.00 52.04 C ATOM 2216 CD1 LEU B 42 3.947 -7.222 0.823 1.00 43.23 C ATOM 2217 CD2 LEU B 42 2.785 -9.130 2.010 1.00 70.43 C ATOM 0 H LEU B 42 -0.468 -4.931 1.963 1.00 53.40 H new ATOM 0 HA LEU B 42 2.328 -5.056 0.957 1.00 1.22 H new ATOM 0 HB2 LEU B 42 2.048 -6.638 2.851 1.00 43.13 H new ATOM 0 HB3 LEU B 42 0.678 -7.366 2.035 1.00 43.13 H new ATOM 0 HG LEU B 42 2.126 -8.153 0.211 1.00 52.04 H new ATOM 0 HD11 LEU B 42 4.586 -7.952 0.326 1.00 43.23 H new ATOM 0 HD12 LEU B 42 3.791 -6.368 0.164 1.00 43.23 H new ATOM 0 HD13 LEU B 42 4.426 -6.888 1.743 1.00 43.23 H new ATOM 0 HD21 LEU B 42 3.457 -9.818 1.496 1.00 70.43 H new ATOM 0 HD22 LEU B 42 3.215 -8.855 2.973 1.00 70.43 H new ATOM 0 HD23 LEU B 42 1.821 -9.614 2.168 1.00 70.43 H new ATOM 2229 N CYS B 43 0.947 -4.829 -1.156 1.00 51.15 N ATOM 2230 CA CYS B 43 0.445 -4.895 -2.529 1.00 42.04 C ATOM 2231 C CYS B 43 1.483 -5.623 -3.385 1.00 51.52 C ATOM 2232 O CYS B 43 2.464 -5.019 -3.846 1.00 2.04 O ATOM 2233 CB CYS B 43 0.163 -3.472 -3.052 1.00 61.10 C ATOM 2234 SG CYS B 43 -0.487 -3.381 -4.734 1.00 65.11 S ATOM 0 H CYS B 43 1.521 -4.006 -0.974 1.00 51.15 H new ATOM 0 HA CYS B 43 -0.494 -5.446 -2.573 1.00 42.04 H new ATOM 0 HB2 CYS B 43 -0.547 -2.990 -2.380 1.00 61.10 H new ATOM 0 HB3 CYS B 43 1.087 -2.896 -3.006 1.00 61.10 H new ATOM 0 HG CYS B 43 -0.684 -2.137 -5.057 1.00 65.11 H new ATOM 2240 N LEU B 44 1.287 -6.939 -3.516 1.00 31.13 N ATOM 2241 CA LEU B 44 2.207 -7.851 -4.210 1.00 54.01 C ATOM 2242 C LEU B 44 1.808 -7.945 -5.701 1.00 53.33 C ATOM 2243 O LEU B 44 0.774 -8.561 -6.014 1.00 62.22 O ATOM 2244 CB LEU B 44 2.122 -9.248 -3.550 1.00 2.00 C ATOM 2245 CG LEU B 44 3.135 -10.337 -4.053 1.00 12.44 C ATOM 2246 CD1 LEU B 44 4.483 -10.250 -3.309 1.00 43.04 C ATOM 2247 CD2 LEU B 44 2.531 -11.753 -3.951 1.00 14.40 C ATOM 0 H LEU B 44 0.467 -7.412 -3.135 1.00 31.13 H new ATOM 0 HA LEU B 44 3.229 -7.478 -4.139 1.00 54.01 H new ATOM 0 HB2 LEU B 44 2.263 -9.124 -2.476 1.00 2.00 H new ATOM 0 HB3 LEU B 44 1.112 -9.631 -3.697 1.00 2.00 H new ATOM 0 HG LEU B 44 3.332 -10.134 -5.106 1.00 12.44 H new ATOM 0 HD11 LEU B 44 5.157 -11.020 -3.685 1.00 43.04 H new ATOM 0 HD12 LEU B 44 4.926 -9.268 -3.473 1.00 43.04 H new ATOM 0 HD13 LEU B 44 4.320 -10.401 -2.242 1.00 43.04 H new ATOM 0 HD21 LEU B 44 3.257 -12.485 -4.307 1.00 14.40 H new ATOM 0 HD22 LEU B 44 2.279 -11.967 -2.912 1.00 14.40 H new ATOM 0 HD23 LEU B 44 1.630 -11.809 -4.562 1.00 14.40 H new ATOM 2259 N PRO B 45 2.597 -7.330 -6.641 1.00 33.20 N ATOM 2260 CA PRO B 45 2.270 -7.349 -8.084 1.00 51.03 C ATOM 2261 C PRO B 45 2.466 -8.752 -8.697 1.00 51.33 C ATOM 2262 O PRO B 45 3.477 -9.429 -8.446 1.00 24.12 O ATOM 2263 CB PRO B 45 3.254 -6.317 -8.687 1.00 21.33 C ATOM 2264 CG PRO B 45 4.428 -6.311 -7.755 1.00 13.30 C ATOM 2265 CD PRO B 45 3.862 -6.583 -6.376 1.00 54.10 C ATOM 0 HA PRO B 45 1.227 -7.106 -8.284 1.00 51.03 H new ATOM 0 HB2 PRO B 45 3.553 -6.599 -9.696 1.00 21.33 H new ATOM 0 HB3 PRO B 45 2.798 -5.329 -8.754 1.00 21.33 H new ATOM 0 HG2 PRO B 45 5.155 -7.073 -8.037 1.00 13.30 H new ATOM 0 HG3 PRO B 45 4.945 -5.352 -7.783 1.00 13.30 H new ATOM 0 HD2 PRO B 45 4.552 -7.171 -5.771 1.00 54.10 H new ATOM 0 HD3 PRO B 45 3.672 -5.657 -5.834 1.00 54.10 H new ATOM 2273 N ILE B 46 1.479 -9.183 -9.483 1.00 73.32 N ATOM 2274 CA ILE B 46 1.472 -10.497 -10.129 1.00 32.45 C ATOM 2275 C ILE B 46 1.962 -10.353 -11.577 1.00 53.32 C ATOM 2276 O ILE B 46 1.370 -9.624 -12.371 1.00 33.31 O ATOM 2277 CB ILE B 46 0.032 -11.127 -10.080 1.00 30.31 C ATOM 2278 CG1 ILE B 46 -0.487 -11.180 -8.606 1.00 71.54 C ATOM 2279 CG2 ILE B 46 -0.010 -12.529 -10.731 1.00 73.44 C ATOM 2280 CD1 ILE B 46 0.393 -11.956 -7.626 1.00 45.24 C ATOM 0 H ILE B 46 0.652 -8.623 -9.692 1.00 73.32 H new ATOM 0 HA ILE B 46 2.144 -11.168 -9.594 1.00 32.45 H new ATOM 0 HB ILE B 46 -0.629 -10.486 -10.663 1.00 30.31 H new ATOM 0 HG12 ILE B 46 -0.595 -10.159 -8.240 1.00 71.54 H new ATOM 0 HG13 ILE B 46 -1.482 -11.626 -8.605 1.00 71.54 H new ATOM 0 HG21 ILE B 46 -1.024 -12.926 -10.675 1.00 73.44 H new ATOM 0 HG22 ILE B 46 0.293 -12.454 -11.775 1.00 73.44 H new ATOM 0 HG23 ILE B 46 0.671 -13.196 -10.202 1.00 73.44 H new ATOM 0 HD11 ILE B 46 -0.057 -11.931 -6.634 1.00 45.24 H new ATOM 0 HD12 ILE B 46 0.482 -12.991 -7.958 1.00 45.24 H new ATOM 0 HD13 ILE B 46 1.383 -11.501 -7.587 1.00 45.24 H new ATOM 2292 N GLN B 47 3.078 -11.023 -11.889 1.00 42.31 N ATOM 2293 CA GLN B 47 3.660 -11.043 -13.251 1.00 11.12 C ATOM 2294 C GLN B 47 2.892 -12.009 -14.169 1.00 63.14 C ATOM 2295 O GLN B 47 2.916 -11.861 -15.393 1.00 72.25 O ATOM 2296 CB GLN B 47 5.156 -11.443 -13.182 1.00 72.25 C ATOM 2297 CG GLN B 47 5.420 -12.801 -12.506 1.00 20.21 C ATOM 2298 CD GLN B 47 6.906 -13.146 -12.406 1.00 24.24 C ATOM 2299 OE1 GLN B 47 7.470 -13.766 -13.305 1.00 13.20 O ATOM 2300 NE2 GLN B 47 7.544 -12.746 -11.317 1.00 60.31 N ATOM 0 H GLN B 47 3.608 -11.569 -11.210 1.00 42.31 H new ATOM 0 HA GLN B 47 3.576 -10.041 -13.672 1.00 11.12 H new ATOM 0 HB2 GLN B 47 5.559 -11.470 -14.194 1.00 72.25 H new ATOM 0 HB3 GLN B 47 5.702 -10.670 -12.642 1.00 72.25 H new ATOM 0 HG2 GLN B 47 4.988 -12.791 -11.505 1.00 20.21 H new ATOM 0 HG3 GLN B 47 4.909 -13.584 -13.066 1.00 20.21 H new ATOM 0 HE21 GLN B 47 7.043 -12.233 -10.592 1.00 60.31 H new ATOM 0 HE22 GLN B 47 8.537 -12.950 -11.204 1.00 60.31 H new ATOM 2309 N ASP B 48 2.226 -12.997 -13.547 1.00 53.35 N ATOM 2310 CA ASP B 48 1.476 -14.057 -14.250 1.00 62.25 C ATOM 2311 C ASP B 48 0.284 -13.481 -15.043 1.00 55.22 C ATOM 2312 O ASP B 48 0.006 -13.899 -16.175 1.00 4.01 O ATOM 2313 CB ASP B 48 1.002 -15.118 -13.212 1.00 54.11 C ATOM 2314 CG ASP B 48 -0.001 -16.148 -13.768 1.00 0.50 C ATOM 2315 OD1 ASP B 48 0.432 -17.107 -14.443 1.00 14.22 O ATOM 2316 OD2 ASP B 48 -1.225 -16.006 -13.520 1.00 42.51 O ATOM 0 H ASP B 48 2.192 -13.085 -12.531 1.00 53.35 H new ATOM 0 HA ASP B 48 2.134 -14.532 -14.977 1.00 62.25 H new ATOM 0 HB2 ASP B 48 1.874 -15.648 -12.828 1.00 54.11 H new ATOM 0 HB3 ASP B 48 0.545 -14.603 -12.367 1.00 54.11 H new ATOM 2321 N SER B 49 -0.406 -12.518 -14.424 1.00 62.14 N ATOM 2322 CA SER B 49 -1.583 -11.841 -15.003 1.00 43.10 C ATOM 2323 C SER B 49 -1.627 -10.397 -14.491 1.00 3.01 C ATOM 2324 O SER B 49 -1.013 -10.104 -13.466 1.00 23.53 O ATOM 2325 CB SER B 49 -2.883 -12.587 -14.612 1.00 44.40 C ATOM 2326 OG SER B 49 -2.865 -13.937 -15.060 1.00 35.10 O ATOM 0 H SER B 49 -0.164 -12.178 -13.493 1.00 62.14 H new ATOM 0 HA SER B 49 -1.505 -11.843 -16.090 1.00 43.10 H new ATOM 0 HB2 SER B 49 -3.005 -12.564 -13.529 1.00 44.40 H new ATOM 0 HB3 SER B 49 -3.742 -12.072 -15.041 1.00 44.40 H new ATOM 0 HG SER B 49 -2.310 -14.474 -14.457 1.00 35.10 H new ATOM 2332 N ASP B 50 -2.353 -9.503 -15.197 1.00 32.22 N ATOM 2333 CA ASP B 50 -2.503 -8.083 -14.796 1.00 23.52 C ATOM 2334 C ASP B 50 -3.318 -7.980 -13.481 1.00 33.24 C ATOM 2335 O ASP B 50 -4.514 -7.699 -13.474 1.00 12.31 O ATOM 2336 CB ASP B 50 -3.145 -7.242 -15.955 1.00 33.12 C ATOM 2337 CG ASP B 50 -4.555 -7.712 -16.389 1.00 13.13 C ATOM 2338 OD1 ASP B 50 -4.679 -8.850 -16.888 1.00 74.11 O ATOM 2339 OD2 ASP B 50 -5.543 -6.957 -16.203 1.00 54.45 O ATOM 0 H ASP B 50 -2.849 -9.741 -16.056 1.00 32.22 H new ATOM 0 HA ASP B 50 -1.516 -7.662 -14.606 1.00 23.52 H new ATOM 0 HB2 ASP B 50 -3.205 -6.200 -15.640 1.00 33.12 H new ATOM 0 HB3 ASP B 50 -2.483 -7.276 -16.820 1.00 33.12 H new ATOM 2344 N LYS B 51 -2.639 -8.259 -12.356 1.00 21.42 N ATOM 2345 CA LYS B 51 -3.256 -8.397 -11.024 1.00 34.41 C ATOM 2346 C LYS B 51 -2.247 -7.983 -9.943 1.00 34.44 C ATOM 2347 O LYS B 51 -1.058 -7.782 -10.218 1.00 51.01 O ATOM 2348 CB LYS B 51 -3.728 -9.875 -10.760 1.00 2.32 C ATOM 2349 CG LYS B 51 -4.868 -10.383 -11.676 1.00 5.41 C ATOM 2350 CD LYS B 51 -5.205 -11.877 -11.454 1.00 73.01 C ATOM 2351 CE LYS B 51 -6.269 -12.390 -12.448 1.00 33.44 C ATOM 2352 NZ LYS B 51 -6.538 -13.848 -12.293 1.00 30.53 N ATOM 0 H LYS B 51 -1.629 -8.398 -12.345 1.00 21.42 H new ATOM 0 HA LYS B 51 -4.131 -7.748 -10.988 1.00 34.41 H new ATOM 0 HB2 LYS B 51 -2.870 -10.538 -10.875 1.00 2.32 H new ATOM 0 HB3 LYS B 51 -4.056 -9.954 -9.723 1.00 2.32 H new ATOM 0 HG2 LYS B 51 -5.762 -9.785 -11.499 1.00 5.41 H new ATOM 0 HG3 LYS B 51 -4.584 -10.232 -12.717 1.00 5.41 H new ATOM 0 HD2 LYS B 51 -4.297 -12.471 -11.558 1.00 73.01 H new ATOM 0 HD3 LYS B 51 -5.564 -12.019 -10.435 1.00 73.01 H new ATOM 0 HE2 LYS B 51 -7.196 -11.835 -12.302 1.00 33.44 H new ATOM 0 HE3 LYS B 51 -5.936 -12.191 -13.467 1.00 33.44 H new ATOM 0 HZ1 LYS B 51 -7.259 -14.143 -12.982 1.00 30.53 H new ATOM 0 HZ2 LYS B 51 -5.661 -14.382 -12.458 1.00 30.53 H new ATOM 0 HZ3 LYS B 51 -6.882 -14.037 -11.330 1.00 30.53 H new ATOM 2366 N SER B 52 -2.753 -7.868 -8.718 1.00 73.41 N ATOM 2367 CA SER B 52 -1.978 -7.603 -7.517 1.00 44.12 C ATOM 2368 C SER B 52 -2.811 -8.054 -6.309 1.00 62.30 C ATOM 2369 O SER B 52 -3.972 -7.650 -6.174 1.00 14.15 O ATOM 2370 CB SER B 52 -1.622 -6.101 -7.401 1.00 21.21 C ATOM 2371 OG SER B 52 -0.777 -5.858 -6.284 1.00 33.00 O ATOM 0 H SER B 52 -3.751 -7.961 -8.531 1.00 73.41 H new ATOM 0 HA SER B 52 -1.038 -8.153 -7.557 1.00 44.12 H new ATOM 0 HB2 SER B 52 -1.127 -5.770 -8.314 1.00 21.21 H new ATOM 0 HB3 SER B 52 -2.536 -5.514 -7.304 1.00 21.21 H new ATOM 0 HG SER B 52 -0.738 -4.895 -6.107 1.00 33.00 H new ATOM 2377 N HIS B 53 -2.248 -8.916 -5.454 1.00 23.21 N ATOM 2378 CA HIS B 53 -2.925 -9.358 -4.220 1.00 32.21 C ATOM 2379 C HIS B 53 -2.452 -8.472 -3.062 1.00 32.20 C ATOM 2380 O HIS B 53 -1.254 -8.423 -2.775 1.00 73.11 O ATOM 2381 CB HIS B 53 -2.626 -10.848 -3.913 1.00 34.31 C ATOM 2382 CG HIS B 53 -3.186 -11.838 -4.912 1.00 73.33 C ATOM 2383 ND1 HIS B 53 -4.047 -12.856 -4.565 1.00 43.35 N ATOM 2384 CD2 HIS B 53 -2.949 -12.001 -6.231 1.00 10.13 C ATOM 2385 CE1 HIS B 53 -4.302 -13.602 -5.621 1.00 20.44 C ATOM 2386 NE2 HIS B 53 -3.650 -13.106 -6.649 1.00 11.51 N ATOM 0 H HIS B 53 -1.323 -9.324 -5.591 1.00 23.21 H new ATOM 0 HA HIS B 53 -4.003 -9.264 -4.351 1.00 32.21 H new ATOM 0 HB2 HIS B 53 -1.545 -10.982 -3.860 1.00 34.31 H new ATOM 0 HB3 HIS B 53 -3.025 -11.086 -2.927 1.00 34.31 H new ATOM 0 HD2 HIS B 53 -2.321 -11.375 -6.847 1.00 10.13 H new ATOM 0 HE1 HIS B 53 -4.939 -14.474 -5.639 1.00 20.44 H new ATOM 0 HE2 HIS B 53 -3.662 -13.479 -7.598 1.00 11.51 H new ATOM 2395 N ILE B 54 -3.382 -7.749 -2.426 1.00 32.34 N ATOM 2396 CA ILE B 54 -3.071 -6.871 -1.287 1.00 75.30 C ATOM 2397 C ILE B 54 -3.449 -7.600 0.004 1.00 21.15 C ATOM 2398 O ILE B 54 -4.627 -7.839 0.246 1.00 70.24 O ATOM 2399 CB ILE B 54 -3.813 -5.465 -1.331 1.00 54.13 C ATOM 2400 CG1 ILE B 54 -3.417 -4.615 -2.585 1.00 22.34 C ATOM 2401 CG2 ILE B 54 -3.538 -4.648 -0.036 1.00 63.44 C ATOM 2402 CD1 ILE B 54 -3.910 -5.145 -3.915 1.00 64.41 C ATOM 0 H ILE B 54 -4.369 -7.755 -2.684 1.00 32.34 H new ATOM 0 HA ILE B 54 -2.004 -6.653 -1.335 1.00 75.30 H new ATOM 0 HB ILE B 54 -4.879 -5.684 -1.401 1.00 54.13 H new ATOM 0 HG12 ILE B 54 -3.801 -3.603 -2.452 1.00 22.34 H new ATOM 0 HG13 ILE B 54 -2.330 -4.541 -2.624 1.00 22.34 H new ATOM 0 HG21 ILE B 54 -4.057 -3.691 -0.092 1.00 63.44 H new ATOM 0 HG22 ILE B 54 -3.897 -5.205 0.829 1.00 63.44 H new ATOM 0 HG23 ILE B 54 -2.467 -4.474 0.064 1.00 63.44 H new ATOM 0 HD11 ILE B 54 -3.581 -4.482 -4.715 1.00 64.41 H new ATOM 0 HD12 ILE B 54 -3.506 -6.144 -4.081 1.00 64.41 H new ATOM 0 HD13 ILE B 54 -4.999 -5.191 -3.907 1.00 64.41 H new ATOM 2414 N TRP B 55 -2.442 -7.970 0.811 1.00 3.12 N ATOM 2415 CA TRP B 55 -2.657 -8.424 2.189 1.00 75.03 C ATOM 2416 C TRP B 55 -2.629 -7.184 3.088 1.00 60.43 C ATOM 2417 O TRP B 55 -1.564 -6.637 3.407 1.00 5.32 O ATOM 2418 CB TRP B 55 -1.590 -9.460 2.617 1.00 23.21 C ATOM 2419 CG TRP B 55 -1.701 -10.792 1.899 1.00 51.55 C ATOM 2420 CD1 TRP B 55 -2.349 -11.915 2.333 1.00 15.11 C ATOM 2421 CD2 TRP B 55 -1.142 -11.136 0.630 1.00 1.05 C ATOM 2422 NE1 TRP B 55 -2.200 -12.932 1.430 1.00 10.11 N ATOM 2423 CE2 TRP B 55 -1.468 -12.483 0.373 1.00 4.23 C ATOM 2424 CE3 TRP B 55 -0.388 -10.443 -0.302 1.00 4.34 C ATOM 2425 CZ2 TRP B 55 -1.065 -13.143 -0.781 1.00 60.42 C ATOM 2426 CZ3 TRP B 55 0.006 -11.100 -1.442 1.00 45.15 C ATOM 2427 CH2 TRP B 55 -0.328 -12.439 -1.677 1.00 22.43 C ATOM 0 H TRP B 55 -1.463 -7.962 0.526 1.00 3.12 H new ATOM 0 HA TRP B 55 -3.619 -8.930 2.275 1.00 75.03 H new ATOM 0 HB2 TRP B 55 -0.600 -9.042 2.436 1.00 23.21 H new ATOM 0 HB3 TRP B 55 -1.673 -9.629 3.691 1.00 23.21 H new ATOM 0 HD1 TRP B 55 -2.901 -11.989 3.258 1.00 15.11 H new ATOM 0 HE1 TRP B 55 -2.576 -13.874 1.532 1.00 10.11 H new ATOM 0 HE3 TRP B 55 -0.116 -9.411 -0.137 1.00 4.34 H new ATOM 0 HZ2 TRP B 55 -1.328 -14.175 -0.958 1.00 60.42 H new ATOM 0 HZ3 TRP B 55 0.590 -10.568 -2.178 1.00 45.15 H new ATOM 0 HH2 TRP B 55 0.006 -12.919 -2.585 1.00 22.43 H new ATOM 2438 N LEU B 56 -3.824 -6.713 3.415 1.00 32.31 N ATOM 2439 CA LEU B 56 -4.044 -5.473 4.147 1.00 61.25 C ATOM 2440 C LEU B 56 -4.161 -5.805 5.650 1.00 22.44 C ATOM 2441 O LEU B 56 -5.123 -6.447 6.075 1.00 43.41 O ATOM 2442 CB LEU B 56 -5.334 -4.794 3.574 1.00 11.42 C ATOM 2443 CG LEU B 56 -5.530 -3.259 3.828 1.00 2.50 C ATOM 2444 CD1 LEU B 56 -5.824 -2.932 5.306 1.00 43.52 C ATOM 2445 CD2 LEU B 56 -4.331 -2.441 3.296 1.00 34.01 C ATOM 0 H LEU B 56 -4.690 -7.195 3.173 1.00 32.31 H new ATOM 0 HA LEU B 56 -3.216 -4.773 4.031 1.00 61.25 H new ATOM 0 HB2 LEU B 56 -5.348 -4.959 2.497 1.00 11.42 H new ATOM 0 HB3 LEU B 56 -6.198 -5.314 3.988 1.00 11.42 H new ATOM 0 HG LEU B 56 -6.415 -2.963 3.264 1.00 2.50 H new ATOM 0 HD11 LEU B 56 -5.950 -1.856 5.422 1.00 43.52 H new ATOM 0 HD12 LEU B 56 -6.737 -3.440 5.616 1.00 43.52 H new ATOM 0 HD13 LEU B 56 -4.993 -3.269 5.925 1.00 43.52 H new ATOM 0 HD21 LEU B 56 -4.499 -1.381 3.488 1.00 34.01 H new ATOM 0 HD22 LEU B 56 -3.420 -2.761 3.801 1.00 34.01 H new ATOM 0 HD23 LEU B 56 -4.227 -2.603 2.223 1.00 34.01 H new ATOM 2457 N LEU B 57 -3.173 -5.358 6.431 1.00 14.31 N ATOM 2458 CA LEU B 57 -3.117 -5.574 7.885 1.00 60.04 C ATOM 2459 C LEU B 57 -3.858 -4.427 8.570 1.00 63.32 C ATOM 2460 O LEU B 57 -3.402 -3.286 8.527 1.00 2.42 O ATOM 2461 CB LEU B 57 -1.643 -5.636 8.388 1.00 61.13 C ATOM 2462 CG LEU B 57 -0.893 -6.998 8.225 1.00 63.24 C ATOM 2463 CD1 LEU B 57 -0.896 -7.513 6.771 1.00 22.13 C ATOM 2464 CD2 LEU B 57 0.543 -6.891 8.789 1.00 11.13 C ATOM 0 H LEU B 57 -2.379 -4.829 6.070 1.00 14.31 H new ATOM 0 HA LEU B 57 -3.587 -6.527 8.127 1.00 60.04 H new ATOM 0 HB2 LEU B 57 -1.073 -4.871 7.861 1.00 61.13 H new ATOM 0 HB3 LEU B 57 -1.634 -5.369 9.445 1.00 61.13 H new ATOM 0 HG LEU B 57 -1.440 -7.741 8.805 1.00 63.24 H new ATOM 0 HD11 LEU B 57 -0.361 -8.461 6.720 1.00 22.13 H new ATOM 0 HD12 LEU B 57 -1.924 -7.658 6.438 1.00 22.13 H new ATOM 0 HD13 LEU B 57 -0.405 -6.784 6.126 1.00 22.13 H new ATOM 0 HD21 LEU B 57 1.053 -7.847 8.669 1.00 11.13 H new ATOM 0 HD22 LEU B 57 1.089 -6.118 8.249 1.00 11.13 H new ATOM 0 HD23 LEU B 57 0.500 -6.633 9.847 1.00 11.13 H new ATOM 2476 N VAL B 58 -5.003 -4.743 9.173 1.00 54.41 N ATOM 2477 CA VAL B 58 -5.860 -3.762 9.852 1.00 22.43 C ATOM 2478 C VAL B 58 -6.599 -4.471 10.994 1.00 44.24 C ATOM 2479 O VAL B 58 -6.869 -5.647 10.882 1.00 11.15 O ATOM 2480 CB VAL B 58 -6.885 -3.131 8.829 1.00 34.22 C ATOM 2481 CG1 VAL B 58 -7.934 -4.156 8.321 1.00 45.23 C ATOM 2482 CG2 VAL B 58 -7.553 -1.871 9.395 1.00 34.21 C ATOM 0 H VAL B 58 -5.369 -5.695 9.206 1.00 54.41 H new ATOM 0 HA VAL B 58 -5.253 -2.952 10.257 1.00 22.43 H new ATOM 0 HB VAL B 58 -6.301 -2.830 7.959 1.00 34.22 H new ATOM 0 HG11 VAL B 58 -8.612 -3.667 7.621 1.00 45.23 H new ATOM 0 HG12 VAL B 58 -7.425 -4.978 7.818 1.00 45.23 H new ATOM 0 HG13 VAL B 58 -8.503 -4.544 9.166 1.00 45.23 H new ATOM 0 HG21 VAL B 58 -8.250 -1.468 8.661 1.00 34.21 H new ATOM 0 HG22 VAL B 58 -8.093 -2.124 10.308 1.00 34.21 H new ATOM 0 HG23 VAL B 58 -6.791 -1.125 9.619 1.00 34.21 H new ATOM 2492 N ASN B 59 -6.923 -3.776 12.087 1.00 1.21 N ATOM 2493 CA ASN B 59 -7.650 -4.397 13.219 1.00 34.32 C ATOM 2494 C ASN B 59 -9.105 -4.727 12.816 1.00 51.35 C ATOM 2495 O ASN B 59 -9.703 -4.005 12.006 1.00 13.02 O ATOM 2496 CB ASN B 59 -7.624 -3.472 14.463 1.00 51.50 C ATOM 2497 CG ASN B 59 -8.371 -2.143 14.258 1.00 44.21 C ATOM 2498 OD1 ASN B 59 -8.379 -1.579 13.164 1.00 54.44 O ATOM 2499 ND2 ASN B 59 -9.017 -1.645 15.291 1.00 42.33 N ATOM 0 H ASN B 59 -6.700 -2.790 12.221 1.00 1.21 H new ATOM 0 HA ASN B 59 -7.146 -5.328 13.477 1.00 34.32 H new ATOM 0 HB2 ASN B 59 -8.065 -4.001 15.308 1.00 51.50 H new ATOM 0 HB3 ASN B 59 -6.588 -3.260 14.726 1.00 51.50 H new ATOM 0 HD21 ASN B 59 -9.539 -0.774 15.195 1.00 42.33 H new ATOM 0 HD22 ASN B 59 -8.996 -2.130 16.188 1.00 42.33 H new ATOM 2506 N ASP B 60 -9.655 -5.825 13.368 1.00 43.53 N ATOM 2507 CA ASP B 60 -11.069 -6.202 13.157 1.00 63.11 C ATOM 2508 C ASP B 60 -11.983 -5.156 13.821 1.00 35.22 C ATOM 2509 O ASP B 60 -11.647 -4.609 14.885 1.00 71.34 O ATOM 2510 CB ASP B 60 -11.362 -7.627 13.704 1.00 14.51 C ATOM 2511 CG ASP B 60 -11.255 -7.733 15.235 1.00 33.10 C ATOM 2512 OD1 ASP B 60 -10.132 -7.670 15.769 1.00 3.34 O ATOM 2513 OD2 ASP B 60 -12.300 -7.871 15.909 1.00 43.54 O ATOM 0 H ASP B 60 -9.140 -6.471 13.967 1.00 43.53 H new ATOM 0 HA ASP B 60 -11.270 -6.222 12.086 1.00 63.11 H new ATOM 0 HB2 ASP B 60 -12.364 -7.926 13.397 1.00 14.51 H new ATOM 0 HB3 ASP B 60 -10.666 -8.332 13.250 1.00 14.51 H new ATOM 2518 N ASP B 61 -13.122 -4.876 13.183 1.00 54.13 N ATOM 2519 CA ASP B 61 -13.983 -3.741 13.550 1.00 51.10 C ATOM 2520 C ASP B 61 -15.463 -4.116 13.377 1.00 52.31 C ATOM 2521 O ASP B 61 -15.787 -5.136 12.754 1.00 22.11 O ATOM 2522 CB ASP B 61 -13.598 -2.524 12.662 1.00 0.21 C ATOM 2523 CG ASP B 61 -14.069 -1.183 13.223 1.00 22.04 C ATOM 2524 OD1 ASP B 61 -13.460 -0.703 14.193 1.00 62.24 O ATOM 2525 OD2 ASP B 61 -15.045 -0.613 12.712 1.00 2.44 O ATOM 0 H ASP B 61 -13.475 -5.425 12.400 1.00 54.13 H new ATOM 0 HA ASP B 61 -13.837 -3.479 14.598 1.00 51.10 H new ATOM 0 HB2 ASP B 61 -12.515 -2.499 12.545 1.00 0.21 H new ATOM 0 HB3 ASP B 61 -14.023 -2.662 11.668 1.00 0.21 H new ATOM 2530 N GLN B 62 -16.355 -3.276 13.922 1.00 33.43 N ATOM 2531 CA GLN B 62 -17.816 -3.417 13.752 1.00 31.32 C ATOM 2532 C GLN B 62 -18.234 -3.044 12.316 1.00 64.13 C ATOM 2533 O GLN B 62 -19.252 -3.522 11.822 1.00 60.43 O ATOM 2534 CB GLN B 62 -18.557 -2.524 14.777 1.00 23.34 C ATOM 2535 CG GLN B 62 -18.233 -2.872 16.245 1.00 12.11 C ATOM 2536 CD GLN B 62 -18.953 -2.001 17.278 1.00 31.33 C ATOM 2537 OE1 GLN B 62 -20.068 -1.530 17.055 1.00 11.05 O ATOM 2538 NE2 GLN B 62 -18.322 -1.781 18.421 1.00 24.14 N ATOM 0 H GLN B 62 -16.087 -2.476 14.495 1.00 33.43 H new ATOM 0 HA GLN B 62 -18.088 -4.458 13.928 1.00 31.32 H new ATOM 0 HB2 GLN B 62 -18.297 -1.481 14.593 1.00 23.34 H new ATOM 0 HB3 GLN B 62 -19.631 -2.617 14.618 1.00 23.34 H new ATOM 0 HG2 GLN B 62 -18.493 -3.915 16.424 1.00 12.11 H new ATOM 0 HG3 GLN B 62 -17.158 -2.781 16.398 1.00 12.11 H new ATOM 0 HE21 GLN B 62 -17.398 -2.184 18.579 1.00 24.14 H new ATOM 0 HE22 GLN B 62 -18.760 -1.209 19.143 1.00 24.14 H new ATOM 2547 N ARG B 63 -17.462 -2.131 11.701 1.00 64.54 N ATOM 2548 CA ARG B 63 -17.622 -1.712 10.292 1.00 62.24 C ATOM 2549 C ARG B 63 -16.913 -2.685 9.325 1.00 42.23 C ATOM 2550 O ARG B 63 -17.322 -2.793 8.181 1.00 54.23 O ATOM 2551 CB ARG B 63 -17.056 -0.280 10.079 1.00 11.34 C ATOM 2552 CG ARG B 63 -17.768 0.841 10.858 1.00 42.24 C ATOM 2553 CD ARG B 63 -19.239 1.027 10.452 1.00 10.24 C ATOM 2554 NE ARG B 63 -19.852 2.193 11.113 1.00 51.32 N ATOM 2555 CZ ARG B 63 -20.996 2.783 10.731 1.00 2.33 C ATOM 2556 NH1 ARG B 63 -21.689 2.320 9.692 1.00 21.42 N ATOM 2557 NH2 ARG B 63 -21.430 3.851 11.382 1.00 12.25 N ATOM 0 H ARG B 63 -16.695 -1.654 12.175 1.00 64.54 H new ATOM 0 HA ARG B 63 -18.690 -1.721 10.075 1.00 62.24 H new ATOM 0 HB2 ARG B 63 -16.003 -0.280 10.359 1.00 11.34 H new ATOM 0 HB3 ARG B 63 -17.103 -0.045 9.016 1.00 11.34 H new ATOM 0 HG2 ARG B 63 -17.718 0.621 11.924 1.00 42.24 H new ATOM 0 HG3 ARG B 63 -17.234 1.778 10.701 1.00 42.24 H new ATOM 0 HD2 ARG B 63 -19.304 1.148 9.371 1.00 10.24 H new ATOM 0 HD3 ARG B 63 -19.802 0.129 10.707 1.00 10.24 H new ATOM 0 HE ARG B 63 -19.370 2.582 11.923 1.00 51.32 H new ATOM 0 HH11 ARG B 63 -21.352 1.507 9.176 1.00 21.42 H new ATOM 0 HH12 ARG B 63 -22.557 2.778 9.413 1.00 21.42 H new ATOM 0 HH21 ARG B 63 -20.896 4.221 12.169 1.00 12.25 H new ATOM 0 HH22 ARG B 63 -22.298 4.304 11.097 1.00 12.25 H new ATOM 2571 N LEU B 64 -15.848 -3.356 9.818 1.00 34.52 N ATOM 2572 CA LEU B 64 -14.820 -4.064 8.999 1.00 24.11 C ATOM 2573 C LEU B 64 -15.441 -4.924 7.875 1.00 62.24 C ATOM 2574 O LEU B 64 -15.120 -4.733 6.702 1.00 15.30 O ATOM 2575 CB LEU B 64 -13.927 -4.950 9.931 1.00 20.54 C ATOM 2576 CG LEU B 64 -12.426 -5.191 9.520 1.00 3.04 C ATOM 2577 CD1 LEU B 64 -12.279 -6.133 8.314 1.00 11.22 C ATOM 2578 CD2 LEU B 64 -11.691 -3.854 9.276 1.00 23.31 C ATOM 0 H LEU B 64 -15.669 -3.426 10.820 1.00 34.52 H new ATOM 0 HA LEU B 64 -14.210 -3.304 8.510 1.00 24.11 H new ATOM 0 HB2 LEU B 64 -13.931 -4.498 10.923 1.00 20.54 H new ATOM 0 HB3 LEU B 64 -14.407 -5.924 10.023 1.00 20.54 H new ATOM 0 HG LEU B 64 -11.953 -5.693 10.364 1.00 3.04 H new ATOM 0 HD11 LEU B 64 -11.222 -6.260 8.078 1.00 11.22 H new ATOM 0 HD12 LEU B 64 -12.717 -7.102 8.554 1.00 11.22 H new ATOM 0 HD13 LEU B 64 -12.794 -5.705 7.454 1.00 11.22 H new ATOM 0 HD21 LEU B 64 -10.657 -4.053 8.994 1.00 23.31 H new ATOM 0 HD22 LEU B 64 -12.187 -3.307 8.474 1.00 23.31 H new ATOM 0 HD23 LEU B 64 -11.710 -3.257 10.188 1.00 23.31 H new ATOM 2590 N GLU B 65 -16.347 -5.834 8.258 1.00 32.54 N ATOM 2591 CA GLU B 65 -16.994 -6.783 7.316 1.00 4.53 C ATOM 2592 C GLU B 65 -17.937 -6.062 6.320 1.00 60.15 C ATOM 2593 O GLU B 65 -18.121 -6.530 5.191 1.00 33.40 O ATOM 2594 CB GLU B 65 -17.713 -7.963 8.066 1.00 73.21 C ATOM 2595 CG GLU B 65 -18.229 -7.652 9.486 1.00 52.32 C ATOM 2596 CD GLU B 65 -19.293 -6.545 9.554 1.00 72.31 C ATOM 2597 OE1 GLU B 65 -20.496 -6.852 9.436 1.00 34.32 O ATOM 2598 OE2 GLU B 65 -18.928 -5.365 9.718 1.00 12.13 O ATOM 0 H GLU B 65 -16.657 -5.940 9.224 1.00 32.54 H new ATOM 0 HA GLU B 65 -16.196 -7.231 6.723 1.00 4.53 H new ATOM 0 HB2 GLU B 65 -18.557 -8.291 7.459 1.00 73.21 H new ATOM 0 HB3 GLU B 65 -17.020 -8.802 8.129 1.00 73.21 H new ATOM 0 HG2 GLU B 65 -18.645 -8.564 9.915 1.00 52.32 H new ATOM 0 HG3 GLU B 65 -17.383 -7.363 10.110 1.00 52.32 H new ATOM 2605 N GLN B 66 -18.524 -4.926 6.738 1.00 61.35 N ATOM 2606 CA GLN B 66 -19.333 -4.066 5.846 1.00 1.14 C ATOM 2607 C GLN B 66 -18.421 -3.353 4.833 1.00 11.53 C ATOM 2608 O GLN B 66 -18.806 -3.141 3.685 1.00 63.51 O ATOM 2609 CB GLN B 66 -20.138 -3.020 6.657 1.00 53.25 C ATOM 2610 CG GLN B 66 -21.089 -3.612 7.706 1.00 14.30 C ATOM 2611 CD GLN B 66 -22.153 -4.549 7.130 1.00 44.30 C ATOM 2612 OE1 GLN B 66 -23.237 -4.117 6.745 1.00 51.32 O ATOM 2613 NE2 GLN B 66 -21.864 -5.840 7.094 1.00 61.10 N ATOM 0 H GLN B 66 -18.454 -4.578 7.694 1.00 61.35 H new ATOM 0 HA GLN B 66 -20.040 -4.702 5.313 1.00 1.14 H new ATOM 0 HB2 GLN B 66 -19.437 -2.352 7.158 1.00 53.25 H new ATOM 0 HB3 GLN B 66 -20.718 -2.411 5.963 1.00 53.25 H new ATOM 0 HG2 GLN B 66 -20.502 -4.157 8.445 1.00 14.30 H new ATOM 0 HG3 GLN B 66 -21.585 -2.796 8.232 1.00 14.30 H new ATOM 0 HE21 GLN B 66 -20.955 -6.168 7.421 1.00 61.10 H new ATOM 0 HE22 GLN B 66 -22.550 -6.506 6.740 1.00 61.10 H new ATOM 2622 N MET B 67 -17.201 -2.989 5.276 1.00 54.43 N ATOM 2623 CA MET B 67 -16.203 -2.336 4.404 1.00 20.05 C ATOM 2624 C MET B 67 -15.671 -3.350 3.374 1.00 32.52 C ATOM 2625 O MET B 67 -15.400 -2.991 2.230 1.00 43.43 O ATOM 2626 CB MET B 67 -15.034 -1.712 5.223 1.00 13.14 C ATOM 2627 CG MET B 67 -15.478 -0.813 6.395 1.00 24.44 C ATOM 2628 SD MET B 67 -16.776 0.382 5.980 1.00 74.11 S ATOM 2629 CE MET B 67 -15.975 1.424 4.766 1.00 64.21 C ATOM 0 H MET B 67 -16.882 -3.136 6.234 1.00 54.43 H new ATOM 0 HA MET B 67 -16.695 -1.517 3.880 1.00 20.05 H new ATOM 0 HB2 MET B 67 -14.413 -2.517 5.615 1.00 13.14 H new ATOM 0 HB3 MET B 67 -14.409 -1.126 4.550 1.00 13.14 H new ATOM 0 HG2 MET B 67 -15.832 -1.447 7.208 1.00 24.44 H new ATOM 0 HG3 MET B 67 -14.609 -0.271 6.769 1.00 24.44 H new ATOM 0 HE1 MET B 67 -16.722 2.042 4.268 1.00 64.21 H new ATOM 0 HE2 MET B 67 -15.245 2.065 5.261 1.00 64.21 H new ATOM 0 HE3 MET B 67 -15.469 0.801 4.028 1.00 64.21 H new ATOM 2639 N ILE B 68 -15.568 -4.628 3.803 1.00 24.11 N ATOM 2640 CA ILE B 68 -15.231 -5.767 2.921 1.00 13.53 C ATOM 2641 C ILE B 68 -16.322 -5.944 1.845 1.00 54.24 C ATOM 2642 O ILE B 68 -16.014 -6.185 0.680 1.00 11.25 O ATOM 2643 CB ILE B 68 -15.063 -7.102 3.745 1.00 4.12 C ATOM 2644 CG1 ILE B 68 -13.874 -6.981 4.744 1.00 74.11 C ATOM 2645 CG2 ILE B 68 -14.876 -8.342 2.825 1.00 74.21 C ATOM 2646 CD1 ILE B 68 -13.734 -8.161 5.683 1.00 21.01 C ATOM 0 H ILE B 68 -15.717 -4.899 4.775 1.00 24.11 H new ATOM 0 HA ILE B 68 -14.279 -5.548 2.437 1.00 13.53 H new ATOM 0 HB ILE B 68 -15.985 -7.252 4.306 1.00 4.12 H new ATOM 0 HG12 ILE B 68 -12.949 -6.868 4.179 1.00 74.11 H new ATOM 0 HG13 ILE B 68 -14.000 -6.073 5.334 1.00 74.11 H new ATOM 0 HG21 ILE B 68 -14.765 -9.236 3.438 1.00 74.21 H new ATOM 0 HG22 ILE B 68 -15.747 -8.451 2.179 1.00 74.21 H new ATOM 0 HG23 ILE B 68 -13.985 -8.209 2.212 1.00 74.21 H new ATOM 0 HD11 ILE B 68 -12.884 -8.000 6.346 1.00 21.01 H new ATOM 0 HD12 ILE B 68 -14.643 -8.264 6.276 1.00 21.01 H new ATOM 0 HD13 ILE B 68 -13.575 -9.070 5.103 1.00 21.01 H new ATOM 2658 N SER B 69 -17.590 -5.795 2.261 1.00 70.53 N ATOM 2659 CA SER B 69 -18.761 -5.914 1.367 1.00 43.21 C ATOM 2660 C SER B 69 -18.796 -4.763 0.343 1.00 42.31 C ATOM 2661 O SER B 69 -19.155 -4.966 -0.826 1.00 34.32 O ATOM 2662 CB SER B 69 -20.061 -5.923 2.204 1.00 71.03 C ATOM 2663 OG SER B 69 -21.217 -6.152 1.409 1.00 55.13 O ATOM 0 H SER B 69 -17.836 -5.588 3.229 1.00 70.53 H new ATOM 0 HA SER B 69 -18.680 -6.852 0.817 1.00 43.21 H new ATOM 0 HB2 SER B 69 -19.991 -6.696 2.970 1.00 71.03 H new ATOM 0 HB3 SER B 69 -20.163 -4.969 2.722 1.00 71.03 H new ATOM 0 HG SER B 69 -22.013 -6.151 1.981 1.00 55.13 H new ATOM 2669 N GLN B 70 -18.403 -3.563 0.804 1.00 74.12 N ATOM 2670 CA GLN B 70 -18.439 -2.340 -0.008 1.00 33.31 C ATOM 2671 C GLN B 70 -17.313 -2.359 -1.057 1.00 43.41 C ATOM 2672 O GLN B 70 -17.541 -1.992 -2.205 1.00 11.34 O ATOM 2673 CB GLN B 70 -18.366 -1.090 0.927 1.00 23.32 C ATOM 2674 CG GLN B 70 -18.674 0.284 0.251 1.00 54.41 C ATOM 2675 CD GLN B 70 -17.443 1.024 -0.286 1.00 72.22 C ATOM 2676 OE1 GLN B 70 -16.839 1.832 0.417 1.00 31.00 O ATOM 2677 NE2 GLN B 70 -17.058 0.755 -1.522 1.00 45.10 N ATOM 0 H GLN B 70 -18.052 -3.416 1.750 1.00 74.12 H new ATOM 0 HA GLN B 70 -19.379 -2.287 -0.558 1.00 33.31 H new ATOM 0 HB2 GLN B 70 -19.066 -1.234 1.750 1.00 23.32 H new ATOM 0 HB3 GLN B 70 -17.368 -1.044 1.363 1.00 23.32 H new ATOM 0 HG2 GLN B 70 -19.370 0.121 -0.571 1.00 54.41 H new ATOM 0 HG3 GLN B 70 -19.179 0.924 0.974 1.00 54.41 H new ATOM 0 HE21 GLN B 70 -17.578 0.080 -2.083 1.00 45.10 H new ATOM 0 HE22 GLN B 70 -16.241 1.222 -1.915 1.00 45.10 H new ATOM 2686 N ILE B 71 -16.110 -2.806 -0.662 1.00 65.44 N ATOM 2687 CA ILE B 71 -14.940 -2.864 -1.573 1.00 4.53 C ATOM 2688 C ILE B 71 -15.072 -4.042 -2.575 1.00 2.40 C ATOM 2689 O ILE B 71 -14.592 -3.959 -3.712 1.00 14.43 O ATOM 2690 CB ILE B 71 -13.586 -2.965 -0.776 1.00 23.43 C ATOM 2691 CG1 ILE B 71 -12.354 -2.753 -1.708 1.00 21.33 C ATOM 2692 CG2 ILE B 71 -13.475 -4.290 0.002 1.00 71.11 C ATOM 2693 CD1 ILE B 71 -11.010 -2.917 -1.026 1.00 15.34 C ATOM 0 H ILE B 71 -15.915 -3.135 0.284 1.00 65.44 H new ATOM 0 HA ILE B 71 -14.924 -1.932 -2.137 1.00 4.53 H new ATOM 0 HB ILE B 71 -13.589 -2.158 -0.044 1.00 23.43 H new ATOM 0 HG12 ILE B 71 -12.415 -3.460 -2.535 1.00 21.33 H new ATOM 0 HG13 ILE B 71 -12.409 -1.753 -2.138 1.00 21.33 H new ATOM 0 HG21 ILE B 71 -12.526 -4.319 0.538 1.00 71.11 H new ATOM 0 HG22 ILE B 71 -14.297 -4.363 0.715 1.00 71.11 H new ATOM 0 HG23 ILE B 71 -13.524 -5.126 -0.695 1.00 71.11 H new ATOM 0 HD11 ILE B 71 -10.212 -2.752 -1.750 1.00 15.34 H new ATOM 0 HD12 ILE B 71 -10.922 -2.192 -0.217 1.00 15.34 H new ATOM 0 HD13 ILE B 71 -10.929 -3.925 -0.620 1.00 15.34 H new ATOM 2705 N ASP B 72 -15.761 -5.114 -2.140 1.00 12.23 N ATOM 2706 CA ASP B 72 -15.977 -6.344 -2.939 1.00 11.33 C ATOM 2707 C ASP B 72 -16.723 -6.052 -4.253 1.00 43.43 C ATOM 2708 O ASP B 72 -16.405 -6.629 -5.305 1.00 33.24 O ATOM 2709 CB ASP B 72 -16.763 -7.378 -2.083 1.00 24.11 C ATOM 2710 CG ASP B 72 -17.311 -8.585 -2.873 1.00 15.33 C ATOM 2711 OD1 ASP B 72 -16.507 -9.428 -3.324 1.00 25.03 O ATOM 2712 OD2 ASP B 72 -18.546 -8.691 -3.046 1.00 22.21 O ATOM 0 H ASP B 72 -16.189 -5.155 -1.215 1.00 12.23 H new ATOM 0 HA ASP B 72 -15.004 -6.753 -3.210 1.00 11.33 H new ATOM 0 HB2 ASP B 72 -16.110 -7.745 -1.291 1.00 24.11 H new ATOM 0 HB3 ASP B 72 -17.596 -6.870 -1.598 1.00 24.11 H new ATOM 2717 N LYS B 73 -17.695 -5.129 -4.185 1.00 24.14 N ATOM 2718 CA LYS B 73 -18.554 -4.793 -5.339 1.00 14.12 C ATOM 2719 C LYS B 73 -17.895 -3.765 -6.295 1.00 34.53 C ATOM 2720 O LYS B 73 -18.560 -3.246 -7.196 1.00 31.32 O ATOM 2721 CB LYS B 73 -19.950 -4.320 -4.856 1.00 13.10 C ATOM 2722 CG LYS B 73 -19.931 -3.158 -3.843 1.00 65.43 C ATOM 2723 CD LYS B 73 -21.337 -2.792 -3.327 1.00 5.02 C ATOM 2724 CE LYS B 73 -22.042 -3.971 -2.643 1.00 21.53 C ATOM 2725 NZ LYS B 73 -23.337 -3.564 -2.038 1.00 22.43 N ATOM 0 H LYS B 73 -17.909 -4.598 -3.341 1.00 24.14 H new ATOM 0 HA LYS B 73 -18.685 -5.703 -5.924 1.00 14.12 H new ATOM 0 HB2 LYS B 73 -20.534 -4.015 -5.724 1.00 13.10 H new ATOM 0 HB3 LYS B 73 -20.468 -5.167 -4.405 1.00 13.10 H new ATOM 0 HG2 LYS B 73 -19.298 -3.429 -2.998 1.00 65.43 H new ATOM 0 HG3 LYS B 73 -19.481 -2.282 -4.310 1.00 65.43 H new ATOM 0 HD2 LYS B 73 -21.257 -1.964 -2.623 1.00 5.02 H new ATOM 0 HD3 LYS B 73 -21.946 -2.444 -4.161 1.00 5.02 H new ATOM 0 HE2 LYS B 73 -22.214 -4.764 -3.371 1.00 21.53 H new ATOM 0 HE3 LYS B 73 -21.393 -4.384 -1.870 1.00 21.53 H new ATOM 0 HZ1 LYS B 73 -23.783 -4.388 -1.586 1.00 22.43 H new ATOM 0 HZ2 LYS B 73 -23.170 -2.825 -1.325 1.00 22.43 H new ATOM 0 HZ3 LYS B 73 -23.965 -3.194 -2.779 1.00 22.43 H new ATOM 2739 N LEU B 74 -16.588 -3.491 -6.110 1.00 73.32 N ATOM 2740 CA LEU B 74 -15.779 -2.710 -7.075 1.00 75.43 C ATOM 2741 C LEU B 74 -15.247 -3.640 -8.184 1.00 14.12 C ATOM 2742 O LEU B 74 -14.921 -4.806 -7.923 1.00 55.10 O ATOM 2743 CB LEU B 74 -14.585 -1.980 -6.369 1.00 34.24 C ATOM 2744 CG LEU B 74 -14.889 -0.590 -5.707 1.00 74.42 C ATOM 2745 CD1 LEU B 74 -15.316 0.458 -6.763 1.00 60.20 C ATOM 2746 CD2 LEU B 74 -15.941 -0.704 -4.582 1.00 55.11 C ATOM 0 H LEU B 74 -16.063 -3.802 -5.293 1.00 73.32 H new ATOM 0 HA LEU B 74 -16.423 -1.948 -7.514 1.00 75.43 H new ATOM 0 HB2 LEU B 74 -14.191 -2.643 -5.599 1.00 34.24 H new ATOM 0 HB3 LEU B 74 -13.792 -1.839 -7.104 1.00 34.24 H new ATOM 0 HG LEU B 74 -13.961 -0.247 -5.250 1.00 74.42 H new ATOM 0 HD11 LEU B 74 -15.519 1.409 -6.270 1.00 60.20 H new ATOM 0 HD12 LEU B 74 -14.514 0.590 -7.490 1.00 60.20 H new ATOM 0 HD13 LEU B 74 -16.216 0.114 -7.273 1.00 60.20 H new ATOM 0 HD21 LEU B 74 -16.121 0.281 -4.151 1.00 55.11 H new ATOM 0 HD22 LEU B 74 -16.871 -1.097 -4.992 1.00 55.11 H new ATOM 0 HD23 LEU B 74 -15.574 -1.377 -3.807 1.00 55.11 H new ATOM 2758 N GLU B 75 -15.153 -3.096 -9.416 1.00 70.40 N ATOM 2759 CA GLU B 75 -14.571 -3.799 -10.582 1.00 71.31 C ATOM 2760 C GLU B 75 -13.041 -3.902 -10.452 1.00 25.14 C ATOM 2761 O GLU B 75 -12.398 -4.683 -11.168 1.00 13.24 O ATOM 2762 CB GLU B 75 -14.938 -3.070 -11.901 1.00 75.34 C ATOM 2763 CG GLU B 75 -16.445 -2.986 -12.191 1.00 41.13 C ATOM 2764 CD GLU B 75 -16.751 -2.222 -13.490 1.00 31.43 C ATOM 2765 OE1 GLU B 75 -16.679 -2.825 -14.579 1.00 72.03 O ATOM 2766 OE2 GLU B 75 -17.034 -1.008 -13.434 1.00 32.10 O ATOM 0 H GLU B 75 -15.479 -2.154 -9.632 1.00 70.40 H new ATOM 0 HA GLU B 75 -14.989 -4.805 -10.607 1.00 71.31 H new ATOM 0 HB2 GLU B 75 -14.532 -2.059 -11.867 1.00 75.34 H new ATOM 0 HB3 GLU B 75 -14.450 -3.582 -12.731 1.00 75.34 H new ATOM 0 HG2 GLU B 75 -16.856 -3.993 -12.260 1.00 41.13 H new ATOM 0 HG3 GLU B 75 -16.946 -2.494 -11.357 1.00 41.13 H new ATOM 2773 N ASP B 76 -12.476 -3.075 -9.558 1.00 61.31 N ATOM 2774 CA ASP B 76 -11.056 -3.121 -9.186 1.00 4.24 C ATOM 2775 C ASP B 76 -10.725 -4.491 -8.586 1.00 25.31 C ATOM 2776 O ASP B 76 -9.815 -5.188 -9.046 1.00 71.33 O ATOM 2777 CB ASP B 76 -10.737 -2.019 -8.143 1.00 41.13 C ATOM 2778 CG ASP B 76 -11.166 -0.610 -8.564 1.00 44.33 C ATOM 2779 OD1 ASP B 76 -12.361 -0.281 -8.412 1.00 33.45 O ATOM 2780 OD2 ASP B 76 -10.325 0.176 -9.036 1.00 63.22 O ATOM 0 H ASP B 76 -12.999 -2.349 -9.069 1.00 61.31 H new ATOM 0 HA ASP B 76 -10.455 -2.953 -10.080 1.00 4.24 H new ATOM 0 HB2 ASP B 76 -11.229 -2.271 -7.204 1.00 41.13 H new ATOM 0 HB3 ASP B 76 -9.664 -2.017 -7.950 1.00 41.13 H new ATOM 2785 N VAL B 77 -11.525 -4.862 -7.579 1.00 72.14 N ATOM 2786 CA VAL B 77 -11.380 -6.109 -6.836 1.00 43.03 C ATOM 2787 C VAL B 77 -11.958 -7.266 -7.660 1.00 25.53 C ATOM 2788 O VAL B 77 -13.147 -7.272 -7.982 1.00 23.24 O ATOM 2789 CB VAL B 77 -12.088 -6.001 -5.433 1.00 24.13 C ATOM 2790 CG1 VAL B 77 -12.063 -7.339 -4.663 1.00 41.14 C ATOM 2791 CG2 VAL B 77 -11.446 -4.879 -4.588 1.00 62.43 C ATOM 0 H VAL B 77 -12.305 -4.289 -7.256 1.00 72.14 H new ATOM 0 HA VAL B 77 -10.322 -6.302 -6.658 1.00 43.03 H new ATOM 0 HB VAL B 77 -13.133 -5.753 -5.617 1.00 24.13 H new ATOM 0 HG11 VAL B 77 -12.563 -7.215 -3.702 1.00 41.14 H new ATOM 0 HG12 VAL B 77 -12.579 -8.103 -5.244 1.00 41.14 H new ATOM 0 HG13 VAL B 77 -11.030 -7.645 -4.498 1.00 41.14 H new ATOM 0 HG21 VAL B 77 -11.948 -4.819 -3.622 1.00 62.43 H new ATOM 0 HG22 VAL B 77 -10.389 -5.098 -4.435 1.00 62.43 H new ATOM 0 HG23 VAL B 77 -11.547 -3.927 -5.110 1.00 62.43 H new ATOM 2801 N VAL B 78 -11.075 -8.198 -8.038 1.00 11.04 N ATOM 2802 CA VAL B 78 -11.437 -9.442 -8.730 1.00 4.13 C ATOM 2803 C VAL B 78 -12.076 -10.418 -7.721 1.00 2.45 C ATOM 2804 O VAL B 78 -13.166 -10.951 -7.956 1.00 2.44 O ATOM 2805 CB VAL B 78 -10.172 -10.105 -9.403 1.00 45.15 C ATOM 2806 CG1 VAL B 78 -10.567 -11.303 -10.297 1.00 71.41 C ATOM 2807 CG2 VAL B 78 -9.350 -9.058 -10.195 1.00 3.24 C ATOM 0 H VAL B 78 -10.073 -8.108 -7.869 1.00 11.04 H new ATOM 0 HA VAL B 78 -12.152 -9.210 -9.519 1.00 4.13 H new ATOM 0 HB VAL B 78 -9.539 -10.492 -8.604 1.00 45.15 H new ATOM 0 HG11 VAL B 78 -9.671 -11.735 -10.744 1.00 71.41 H new ATOM 0 HG12 VAL B 78 -11.071 -12.057 -9.693 1.00 71.41 H new ATOM 0 HG13 VAL B 78 -11.238 -10.963 -11.086 1.00 71.41 H new ATOM 0 HG21 VAL B 78 -8.485 -9.542 -10.648 1.00 3.24 H new ATOM 0 HG22 VAL B 78 -9.973 -8.622 -10.976 1.00 3.24 H new ATOM 0 HG23 VAL B 78 -9.014 -8.272 -9.519 1.00 3.24 H new ATOM 2817 N LYS B 79 -11.369 -10.625 -6.590 1.00 34.22 N ATOM 2818 CA LYS B 79 -11.827 -11.448 -5.450 1.00 44.40 C ATOM 2819 C LYS B 79 -11.395 -10.787 -4.132 1.00 34.41 C ATOM 2820 O LYS B 79 -10.377 -10.106 -4.092 1.00 44.22 O ATOM 2821 CB LYS B 79 -11.243 -12.895 -5.508 1.00 2.34 C ATOM 2822 CG LYS B 79 -11.852 -13.802 -6.594 1.00 33.12 C ATOM 2823 CD LYS B 79 -11.285 -15.243 -6.545 1.00 21.42 C ATOM 2824 CE LYS B 79 -11.931 -16.168 -7.590 1.00 52.43 C ATOM 2825 NZ LYS B 79 -11.691 -15.699 -8.981 1.00 4.13 N ATOM 0 H LYS B 79 -10.446 -10.217 -6.441 1.00 34.22 H new ATOM 0 HA LYS B 79 -12.913 -11.516 -5.506 1.00 44.40 H new ATOM 0 HB2 LYS B 79 -10.167 -12.830 -5.672 1.00 2.34 H new ATOM 0 HB3 LYS B 79 -11.389 -13.368 -4.537 1.00 2.34 H new ATOM 0 HG2 LYS B 79 -12.934 -13.836 -6.470 1.00 33.12 H new ATOM 0 HG3 LYS B 79 -11.657 -13.371 -7.576 1.00 33.12 H new ATOM 0 HD2 LYS B 79 -10.208 -15.212 -6.709 1.00 21.42 H new ATOM 0 HD3 LYS B 79 -11.444 -15.658 -5.550 1.00 21.42 H new ATOM 0 HE2 LYS B 79 -11.534 -17.176 -7.475 1.00 52.43 H new ATOM 0 HE3 LYS B 79 -13.004 -16.225 -7.408 1.00 52.43 H new ATOM 0 HZ1 LYS B 79 -12.056 -16.404 -9.653 1.00 4.13 H new ATOM 0 HZ2 LYS B 79 -12.179 -14.793 -9.131 1.00 4.13 H new ATOM 0 HZ3 LYS B 79 -10.670 -15.571 -9.133 1.00 4.13 H new ATOM 2839 N VAL B 80 -12.178 -10.991 -3.065 1.00 1.41 N ATOM 2840 CA VAL B 80 -11.817 -10.557 -1.698 1.00 21.21 C ATOM 2841 C VAL B 80 -11.812 -11.800 -0.773 1.00 13.14 C ATOM 2842 O VAL B 80 -12.591 -12.740 -0.983 1.00 62.01 O ATOM 2843 CB VAL B 80 -12.807 -9.443 -1.157 1.00 33.04 C ATOM 2844 CG1 VAL B 80 -14.227 -9.999 -0.913 1.00 14.12 C ATOM 2845 CG2 VAL B 80 -12.245 -8.736 0.105 1.00 51.23 C ATOM 0 H VAL B 80 -13.081 -11.461 -3.119 1.00 1.41 H new ATOM 0 HA VAL B 80 -10.825 -10.106 -1.714 1.00 21.21 H new ATOM 0 HB VAL B 80 -12.890 -8.689 -1.940 1.00 33.04 H new ATOM 0 HG11 VAL B 80 -14.871 -9.202 -0.543 1.00 14.12 H new ATOM 0 HG12 VAL B 80 -14.631 -10.388 -1.848 1.00 14.12 H new ATOM 0 HG13 VAL B 80 -14.182 -10.801 -0.176 1.00 14.12 H new ATOM 0 HG21 VAL B 80 -12.953 -7.980 0.444 1.00 51.23 H new ATOM 0 HG22 VAL B 80 -12.092 -9.470 0.896 1.00 51.23 H new ATOM 0 HG23 VAL B 80 -11.295 -8.260 -0.137 1.00 51.23 H new ATOM 2855 N GLN B 81 -10.915 -11.815 0.226 1.00 24.32 N ATOM 2856 CA GLN B 81 -10.805 -12.913 1.201 1.00 31.31 C ATOM 2857 C GLN B 81 -10.335 -12.332 2.530 1.00 15.14 C ATOM 2858 O GLN B 81 -9.214 -11.821 2.624 1.00 54.11 O ATOM 2859 CB GLN B 81 -9.803 -14.005 0.714 1.00 4.55 C ATOM 2860 CG GLN B 81 -9.730 -15.251 1.628 1.00 62.01 C ATOM 2861 CD GLN B 81 -8.728 -16.309 1.146 1.00 51.24 C ATOM 2862 OE1 GLN B 81 -9.064 -17.181 0.344 1.00 2.44 O ATOM 2863 NE2 GLN B 81 -7.501 -16.261 1.649 1.00 11.22 N ATOM 0 H GLN B 81 -10.243 -11.063 0.381 1.00 24.32 H new ATOM 0 HA GLN B 81 -11.779 -13.388 1.315 1.00 31.31 H new ATOM 0 HB2 GLN B 81 -10.087 -14.321 -0.290 1.00 4.55 H new ATOM 0 HB3 GLN B 81 -8.809 -13.563 0.640 1.00 4.55 H new ATOM 0 HG2 GLN B 81 -9.457 -14.937 2.635 1.00 62.01 H new ATOM 0 HG3 GLN B 81 -10.720 -15.703 1.692 1.00 62.01 H new ATOM 0 HE21 GLN B 81 -7.250 -15.527 2.312 1.00 11.22 H new ATOM 0 HE22 GLN B 81 -6.809 -16.958 1.373 1.00 11.22 H new ATOM 2872 N ARG B 82 -11.183 -12.394 3.554 1.00 74.53 N ATOM 2873 CA ARG B 82 -10.822 -11.925 4.889 1.00 50.03 C ATOM 2874 C ARG B 82 -10.164 -13.081 5.653 1.00 25.03 C ATOM 2875 O ARG B 82 -10.685 -14.206 5.676 1.00 32.34 O ATOM 2876 CB ARG B 82 -12.069 -11.342 5.626 1.00 12.44 C ATOM 2877 CG ARG B 82 -13.216 -12.334 5.979 1.00 62.43 C ATOM 2878 CD ARG B 82 -13.102 -12.926 7.402 1.00 60.11 C ATOM 2879 NE ARG B 82 -14.114 -13.960 7.656 1.00 44.44 N ATOM 2880 CZ ARG B 82 -14.136 -14.775 8.721 1.00 14.02 C ATOM 2881 NH1 ARG B 82 -13.209 -14.688 9.670 1.00 5.35 N ATOM 2882 NH2 ARG B 82 -15.078 -15.697 8.816 1.00 12.02 N ATOM 0 H ARG B 82 -12.130 -12.767 3.483 1.00 74.53 H new ATOM 0 HA ARG B 82 -10.103 -11.108 4.824 1.00 50.03 H new ATOM 0 HB2 ARG B 82 -11.728 -10.877 6.551 1.00 12.44 H new ATOM 0 HB3 ARG B 82 -12.487 -10.549 5.006 1.00 12.44 H new ATOM 0 HG2 ARG B 82 -14.173 -11.820 5.883 1.00 62.43 H new ATOM 0 HG3 ARG B 82 -13.218 -13.148 5.254 1.00 62.43 H new ATOM 0 HD2 ARG B 82 -12.108 -13.352 7.538 1.00 60.11 H new ATOM 0 HD3 ARG B 82 -13.209 -12.127 8.136 1.00 60.11 H new ATOM 0 HE ARG B 82 -14.859 -14.067 6.968 1.00 44.44 H new ATOM 0 HH11 ARG B 82 -12.466 -13.993 9.595 1.00 5.35 H new ATOM 0 HH12 ARG B 82 -13.241 -15.316 10.473 1.00 5.35 H new ATOM 0 HH21 ARG B 82 -15.781 -15.785 8.083 1.00 12.02 H new ATOM 0 HH22 ARG B 82 -15.102 -16.321 9.623 1.00 12.02 H new ATOM 2896 N ASN B 83 -8.987 -12.813 6.219 1.00 71.44 N ATOM 2897 CA ASN B 83 -8.233 -13.787 7.030 1.00 71.45 C ATOM 2898 C ASN B 83 -7.870 -13.106 8.351 1.00 20.45 C ATOM 2899 O ASN B 83 -7.734 -11.888 8.392 1.00 41.10 O ATOM 2900 CB ASN B 83 -6.939 -14.257 6.295 1.00 24.50 C ATOM 2901 CG ASN B 83 -7.180 -14.677 4.839 1.00 31.05 C ATOM 2902 OD1 ASN B 83 -7.468 -15.833 4.552 1.00 64.03 O ATOM 2903 ND2 ASN B 83 -7.074 -13.730 3.910 1.00 12.10 N ATOM 0 H ASN B 83 -8.521 -11.910 6.131 1.00 71.44 H new ATOM 0 HA ASN B 83 -8.844 -14.673 7.203 1.00 71.45 H new ATOM 0 HB2 ASN B 83 -6.206 -13.451 6.316 1.00 24.50 H new ATOM 0 HB3 ASN B 83 -6.506 -15.096 6.840 1.00 24.50 H new ATOM 0 HD21 ASN B 83 -7.234 -13.958 2.929 1.00 12.10 H new ATOM 0 HD22 ASN B 83 -6.833 -12.776 4.179 1.00 12.10 H new ATOM 2910 N GLN B 84 -7.743 -13.886 9.425 1.00 71.24 N ATOM 2911 CA GLN B 84 -7.296 -13.389 10.740 1.00 41.52 C ATOM 2912 C GLN B 84 -6.265 -14.374 11.304 1.00 10.12 C ATOM 2913 O GLN B 84 -6.612 -15.440 11.827 1.00 1.10 O ATOM 2914 CB GLN B 84 -8.511 -13.149 11.697 1.00 52.13 C ATOM 2915 CG GLN B 84 -9.600 -14.242 11.668 1.00 71.10 C ATOM 2916 CD GLN B 84 -10.837 -13.920 12.521 1.00 23.23 C ATOM 2917 OE1 GLN B 84 -11.964 -14.187 12.112 1.00 33.31 O ATOM 2918 NE2 GLN B 84 -10.639 -13.449 13.743 1.00 34.53 N ATOM 0 H GLN B 84 -7.947 -14.885 9.414 1.00 71.24 H new ATOM 0 HA GLN B 84 -6.816 -12.416 10.637 1.00 41.52 H new ATOM 0 HB2 GLN B 84 -8.137 -13.059 12.717 1.00 52.13 H new ATOM 0 HB3 GLN B 84 -8.971 -12.194 11.441 1.00 52.13 H new ATOM 0 HG2 GLN B 84 -9.915 -14.399 10.636 1.00 71.10 H new ATOM 0 HG3 GLN B 84 -9.167 -15.180 12.015 1.00 71.10 H new ATOM 0 HE21 GLN B 84 -9.693 -13.235 14.060 1.00 34.53 H new ATOM 0 HE22 GLN B 84 -11.432 -13.301 14.367 1.00 34.53 H new ATOM 2927 N SER B 85 -4.987 -14.013 11.130 1.00 11.50 N ATOM 2928 CA SER B 85 -3.843 -14.859 11.468 1.00 40.34 C ATOM 2929 C SER B 85 -2.640 -13.970 11.824 1.00 43.31 C ATOM 2930 O SER B 85 -2.743 -12.726 11.818 1.00 31.35 O ATOM 2931 CB SER B 85 -3.522 -15.807 10.272 1.00 53.22 C ATOM 2932 OG SER B 85 -2.507 -16.751 10.585 1.00 52.51 O ATOM 0 H SER B 85 -4.718 -13.108 10.743 1.00 11.50 H new ATOM 0 HA SER B 85 -4.076 -15.479 12.334 1.00 40.34 H new ATOM 0 HB2 SER B 85 -4.428 -16.336 9.978 1.00 53.22 H new ATOM 0 HB3 SER B 85 -3.209 -15.212 9.414 1.00 53.22 H new ATOM 0 HG SER B 85 -2.341 -17.323 9.807 1.00 52.51 H new ATOM 2938 N ASP B 86 -1.509 -14.621 12.131 1.00 54.35 N ATOM 2939 CA ASP B 86 -0.255 -13.949 12.504 1.00 74.24 C ATOM 2940 C ASP B 86 0.310 -13.154 11.301 1.00 44.55 C ATOM 2941 O ASP B 86 0.123 -13.571 10.148 1.00 40.43 O ATOM 2942 CB ASP B 86 0.797 -14.997 12.973 1.00 64.23 C ATOM 2943 CG ASP B 86 0.355 -15.800 14.207 1.00 74.14 C ATOM 2944 OD1 ASP B 86 -0.475 -16.727 14.064 1.00 70.51 O ATOM 2945 OD2 ASP B 86 0.826 -15.506 15.324 1.00 20.34 O ATOM 0 H ASP B 86 -1.438 -15.639 12.127 1.00 54.35 H new ATOM 0 HA ASP B 86 -0.465 -13.258 13.321 1.00 74.24 H new ATOM 0 HB2 ASP B 86 1.001 -15.687 12.154 1.00 64.23 H new ATOM 0 HB3 ASP B 86 1.733 -14.485 13.199 1.00 64.23 H new ATOM 2950 N PRO B 87 1.056 -12.017 11.546 1.00 51.35 N ATOM 2951 CA PRO B 87 1.695 -11.208 10.472 1.00 45.11 C ATOM 2952 C PRO B 87 2.945 -11.901 9.885 1.00 62.02 C ATOM 2953 O PRO B 87 3.668 -11.319 9.081 1.00 22.44 O ATOM 2954 CB PRO B 87 2.060 -9.890 11.203 1.00 1.32 C ATOM 2955 CG PRO B 87 2.338 -10.326 12.604 1.00 64.41 C ATOM 2956 CD PRO B 87 1.337 -11.429 12.886 1.00 62.14 C ATOM 0 HA PRO B 87 1.044 -11.058 9.611 1.00 45.11 H new ATOM 0 HB2 PRO B 87 2.929 -9.410 10.753 1.00 1.32 H new ATOM 0 HB3 PRO B 87 1.242 -9.170 11.163 1.00 1.32 H new ATOM 0 HG2 PRO B 87 3.361 -10.687 12.708 1.00 64.41 H new ATOM 0 HG3 PRO B 87 2.220 -9.499 13.304 1.00 64.41 H new ATOM 0 HD2 PRO B 87 1.746 -12.173 13.570 1.00 62.14 H new ATOM 0 HD3 PRO B 87 0.431 -11.036 13.347 1.00 62.14 H new ATOM 2964 N THR B 88 3.191 -13.145 10.322 1.00 60.23 N ATOM 2965 CA THR B 88 4.194 -14.031 9.734 1.00 42.55 C ATOM 2966 C THR B 88 3.781 -14.463 8.315 1.00 50.01 C ATOM 2967 O THR B 88 4.629 -14.876 7.525 1.00 1.22 O ATOM 2968 CB THR B 88 4.386 -15.284 10.628 1.00 12.33 C ATOM 2969 OG1 THR B 88 3.130 -15.962 10.768 1.00 1.45 O ATOM 2970 CG2 THR B 88 4.926 -14.916 12.025 1.00 11.31 C ATOM 0 H THR B 88 2.689 -13.565 11.105 1.00 60.23 H new ATOM 0 HA THR B 88 5.135 -13.485 9.669 1.00 42.55 H new ATOM 0 HB THR B 88 5.119 -15.931 10.146 1.00 12.33 H new ATOM 0 HG1 THR B 88 3.248 -16.755 11.331 1.00 1.45 H new ATOM 0 HG21 THR B 88 5.046 -15.822 12.619 1.00 11.31 H new ATOM 0 HG22 THR B 88 5.891 -14.419 11.923 1.00 11.31 H new ATOM 0 HG23 THR B 88 4.224 -14.247 12.522 1.00 11.31 H new ATOM 2978 N MET B 89 2.460 -14.374 8.027 1.00 54.04 N ATOM 2979 CA MET B 89 1.896 -14.559 6.677 1.00 71.40 C ATOM 2980 C MET B 89 2.531 -13.555 5.691 1.00 61.33 C ATOM 2981 O MET B 89 2.890 -13.923 4.573 1.00 42.34 O ATOM 2982 CB MET B 89 0.354 -14.382 6.723 1.00 23.21 C ATOM 2983 CG MET B 89 -0.371 -14.562 5.374 1.00 44.43 C ATOM 2984 SD MET B 89 -0.110 -16.198 4.641 1.00 24.14 S ATOM 2985 CE MET B 89 -1.108 -16.098 3.147 1.00 62.45 C ATOM 0 H MET B 89 1.754 -14.170 8.734 1.00 54.04 H new ATOM 0 HA MET B 89 2.122 -15.567 6.330 1.00 71.40 H new ATOM 0 HB2 MET B 89 -0.056 -15.098 7.435 1.00 23.21 H new ATOM 0 HB3 MET B 89 0.130 -13.387 7.107 1.00 23.21 H new ATOM 0 HG2 MET B 89 -1.439 -14.401 5.518 1.00 44.43 H new ATOM 0 HG3 MET B 89 -0.025 -13.799 4.677 1.00 44.43 H new ATOM 0 HE1 MET B 89 -1.011 -17.025 2.582 1.00 62.45 H new ATOM 0 HE2 MET B 89 -2.153 -15.946 3.417 1.00 62.45 H new ATOM 0 HE3 MET B 89 -0.766 -15.263 2.536 1.00 62.45 H new ATOM 2995 N PHE B 90 2.695 -12.301 6.165 1.00 31.32 N ATOM 2996 CA PHE B 90 3.319 -11.184 5.413 1.00 42.31 C ATOM 2997 C PHE B 90 4.732 -11.593 4.924 1.00 43.15 C ATOM 2998 O PHE B 90 5.070 -11.416 3.749 1.00 72.13 O ATOM 2999 CB PHE B 90 3.373 -9.933 6.349 1.00 74.24 C ATOM 3000 CG PHE B 90 3.758 -8.580 5.725 1.00 64.20 C ATOM 3001 CD1 PHE B 90 5.039 -8.343 5.216 1.00 3.12 C ATOM 3002 CD2 PHE B 90 2.845 -7.521 5.702 1.00 32.43 C ATOM 3003 CE1 PHE B 90 5.388 -7.104 4.709 1.00 41.34 C ATOM 3004 CE2 PHE B 90 3.191 -6.285 5.193 1.00 52.03 C ATOM 3005 CZ PHE B 90 4.460 -6.076 4.694 1.00 64.23 C ATOM 0 H PHE B 90 2.392 -12.028 7.100 1.00 31.32 H new ATOM 0 HA PHE B 90 2.730 -10.942 4.528 1.00 42.31 H new ATOM 0 HB2 PHE B 90 2.393 -9.820 6.812 1.00 74.24 H new ATOM 0 HB3 PHE B 90 4.082 -10.145 7.150 1.00 74.24 H new ATOM 0 HD1 PHE B 90 5.768 -9.140 5.219 1.00 3.12 H new ATOM 0 HD2 PHE B 90 1.849 -7.673 6.090 1.00 32.43 H new ATOM 0 HE1 PHE B 90 6.384 -6.938 4.325 1.00 41.34 H new ATOM 0 HE2 PHE B 90 2.469 -5.482 5.186 1.00 52.03 H new ATOM 0 HZ PHE B 90 4.730 -5.111 4.292 1.00 64.23 H new ATOM 3015 N ASN B 91 5.524 -12.164 5.850 1.00 55.41 N ATOM 3016 CA ASN B 91 6.892 -12.657 5.575 1.00 13.22 C ATOM 3017 C ASN B 91 6.854 -13.905 4.661 1.00 23.55 C ATOM 3018 O ASN B 91 7.675 -14.041 3.748 1.00 25.30 O ATOM 3019 CB ASN B 91 7.595 -12.993 6.920 1.00 43.03 C ATOM 3020 CG ASN B 91 9.007 -13.577 6.758 1.00 70.54 C ATOM 3021 OD1 ASN B 91 9.180 -14.788 6.602 1.00 53.34 O ATOM 3022 ND2 ASN B 91 10.023 -12.736 6.813 1.00 55.22 N ATOM 0 H ASN B 91 5.233 -12.299 6.818 1.00 55.41 H new ATOM 0 HA ASN B 91 7.452 -11.879 5.056 1.00 13.22 H new ATOM 0 HB2 ASN B 91 7.655 -12.087 7.523 1.00 43.03 H new ATOM 0 HB3 ASN B 91 6.980 -13.704 7.472 1.00 43.03 H new ATOM 0 HD21 ASN B 91 10.978 -13.084 6.726 1.00 55.22 H new ATOM 0 HD22 ASN B 91 9.853 -11.739 6.943 1.00 55.22 H new ATOM 3029 N LYS B 92 5.863 -14.778 4.919 1.00 42.23 N ATOM 3030 CA LYS B 92 5.727 -16.112 4.291 1.00 53.54 C ATOM 3031 C LYS B 92 5.628 -16.004 2.754 1.00 71.01 C ATOM 3032 O LYS B 92 6.320 -16.710 2.009 1.00 61.20 O ATOM 3033 CB LYS B 92 4.452 -16.809 4.854 1.00 51.32 C ATOM 3034 CG LYS B 92 4.316 -18.309 4.519 1.00 21.35 C ATOM 3035 CD LYS B 92 5.381 -19.184 5.228 1.00 21.22 C ATOM 3036 CE LYS B 92 5.278 -19.112 6.766 1.00 34.03 C ATOM 3037 NZ LYS B 92 6.269 -19.995 7.433 1.00 52.21 N ATOM 0 H LYS B 92 5.117 -14.574 5.584 1.00 42.23 H new ATOM 0 HA LYS B 92 6.614 -16.700 4.527 1.00 53.54 H new ATOM 0 HB2 LYS B 92 4.444 -16.694 5.938 1.00 51.32 H new ATOM 0 HB3 LYS B 92 3.575 -16.288 4.472 1.00 51.32 H new ATOM 0 HG2 LYS B 92 3.322 -18.652 4.806 1.00 21.35 H new ATOM 0 HG3 LYS B 92 4.401 -18.445 3.441 1.00 21.35 H new ATOM 0 HD2 LYS B 92 5.267 -20.220 4.908 1.00 21.22 H new ATOM 0 HD3 LYS B 92 6.375 -18.862 4.918 1.00 21.22 H new ATOM 0 HE2 LYS B 92 5.432 -18.083 7.092 1.00 34.03 H new ATOM 0 HE3 LYS B 92 4.273 -19.397 7.076 1.00 34.03 H new ATOM 0 HZ1 LYS B 92 6.165 -19.916 8.465 1.00 52.21 H new ATOM 0 HZ2 LYS B 92 6.106 -20.980 7.143 1.00 52.21 H new ATOM 0 HZ3 LYS B 92 7.230 -19.707 7.159 1.00 52.21 H new ATOM 3051 N ILE B 93 4.762 -15.093 2.311 1.00 11.35 N ATOM 3052 CA ILE B 93 4.481 -14.853 0.886 1.00 75.40 C ATOM 3053 C ILE B 93 5.557 -13.960 0.249 1.00 1.43 C ATOM 3054 O ILE B 93 5.833 -14.074 -0.938 1.00 20.11 O ATOM 3055 CB ILE B 93 3.063 -14.201 0.737 1.00 20.55 C ATOM 3056 CG1 ILE B 93 3.003 -12.862 1.556 1.00 41.43 C ATOM 3057 CG2 ILE B 93 1.968 -15.205 1.170 1.00 42.35 C ATOM 3058 CD1 ILE B 93 1.639 -12.454 2.059 1.00 43.25 C ATOM 0 H ILE B 93 4.226 -14.490 2.936 1.00 11.35 H new ATOM 0 HA ILE B 93 4.496 -15.808 0.361 1.00 75.40 H new ATOM 0 HB ILE B 93 2.878 -13.953 -0.308 1.00 20.55 H new ATOM 0 HG12 ILE B 93 3.672 -12.953 2.412 1.00 41.43 H new ATOM 0 HG13 ILE B 93 3.393 -12.059 0.930 1.00 41.43 H new ATOM 0 HG21 ILE B 93 0.987 -14.742 1.063 1.00 42.35 H new ATOM 0 HG22 ILE B 93 2.020 -16.094 0.542 1.00 42.35 H new ATOM 0 HG23 ILE B 93 2.124 -15.487 2.211 1.00 42.35 H new ATOM 0 HD11 ILE B 93 1.720 -11.517 2.609 1.00 43.25 H new ATOM 0 HD12 ILE B 93 0.964 -12.322 1.213 1.00 43.25 H new ATOM 0 HD13 ILE B 93 1.247 -13.229 2.718 1.00 43.25 H new ATOM 3070 N ALA B 94 6.164 -13.079 1.060 1.00 63.14 N ATOM 3071 CA ALA B 94 7.222 -12.167 0.599 1.00 61.32 C ATOM 3072 C ALA B 94 8.503 -12.935 0.227 1.00 43.20 C ATOM 3073 O ALA B 94 9.216 -12.557 -0.714 1.00 22.34 O ATOM 3074 CB ALA B 94 7.504 -11.123 1.677 1.00 72.44 C ATOM 0 H ALA B 94 5.936 -12.979 2.049 1.00 63.14 H new ATOM 0 HA ALA B 94 6.877 -11.662 -0.303 1.00 61.32 H new ATOM 0 HB1 ALA B 94 8.288 -10.448 1.334 1.00 72.44 H new ATOM 0 HB2 ALA B 94 6.597 -10.553 1.878 1.00 72.44 H new ATOM 0 HB3 ALA B 94 7.829 -11.622 2.590 1.00 72.44 H new ATOM 3080 N VAL B 95 8.776 -14.022 0.968 1.00 21.22 N ATOM 3081 CA VAL B 95 9.954 -14.877 0.736 1.00 22.12 C ATOM 3082 C VAL B 95 9.650 -15.956 -0.337 1.00 33.43 C ATOM 3083 O VAL B 95 10.572 -16.544 -0.904 1.00 54.44 O ATOM 3084 CB VAL B 95 10.470 -15.525 2.087 1.00 64.04 C ATOM 3085 CG1 VAL B 95 9.497 -16.592 2.632 1.00 72.01 C ATOM 3086 CG2 VAL B 95 11.912 -16.081 1.943 1.00 54.54 C ATOM 0 H VAL B 95 8.189 -14.333 1.742 1.00 21.22 H new ATOM 0 HA VAL B 95 10.758 -14.248 0.354 1.00 22.12 H new ATOM 0 HB VAL B 95 10.504 -14.725 2.827 1.00 64.04 H new ATOM 0 HG11 VAL B 95 9.894 -17.007 3.558 1.00 72.01 H new ATOM 0 HG12 VAL B 95 8.527 -16.135 2.826 1.00 72.01 H new ATOM 0 HG13 VAL B 95 9.382 -17.389 1.897 1.00 72.01 H new ATOM 0 HG21 VAL B 95 12.230 -16.517 2.890 1.00 54.54 H new ATOM 0 HG22 VAL B 95 11.931 -16.846 1.167 1.00 54.54 H new ATOM 0 HG23 VAL B 95 12.589 -15.271 1.671 1.00 54.54 H new ATOM 3096 N PHE B 96 8.352 -16.194 -0.632 1.00 72.04 N ATOM 3097 CA PHE B 96 7.928 -17.233 -1.595 1.00 13.31 C ATOM 3098 C PHE B 96 7.796 -16.656 -3.017 1.00 54.04 C ATOM 3099 O PHE B 96 8.356 -17.209 -3.976 1.00 34.13 O ATOM 3100 CB PHE B 96 6.579 -17.860 -1.154 1.00 2.35 C ATOM 3101 CG PHE B 96 6.070 -18.956 -2.099 1.00 51.41 C ATOM 3102 CD1 PHE B 96 6.646 -20.226 -2.089 1.00 62.21 C ATOM 3103 CD2 PHE B 96 5.052 -18.703 -3.025 1.00 20.52 C ATOM 3104 CE1 PHE B 96 6.210 -21.211 -2.957 1.00 53.14 C ATOM 3105 CE2 PHE B 96 4.612 -19.690 -3.889 1.00 54.33 C ATOM 3106 CZ PHE B 96 5.200 -20.940 -3.863 1.00 31.44 C ATOM 0 H PHE B 96 7.578 -15.678 -0.214 1.00 72.04 H new ATOM 0 HA PHE B 96 8.696 -18.006 -1.609 1.00 13.31 H new ATOM 0 HB2 PHE B 96 6.693 -18.279 -0.154 1.00 2.35 H new ATOM 0 HB3 PHE B 96 5.828 -17.073 -1.086 1.00 2.35 H new ATOM 0 HD1 PHE B 96 7.444 -20.444 -1.394 1.00 62.21 H new ATOM 0 HD2 PHE B 96 4.603 -17.722 -3.066 1.00 20.52 H new ATOM 0 HE1 PHE B 96 6.659 -22.193 -2.927 1.00 53.14 H new ATOM 0 HE2 PHE B 96 3.810 -19.484 -4.583 1.00 54.33 H new ATOM 0 HZ PHE B 96 4.871 -21.706 -4.550 1.00 31.44 H new