USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 THR OG1 : rot -89:sc= 0.378 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.132 X(o=0.25,f=0.32) USER MOD Set 2.1: A 19 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 2.2: A 90 MET CE :methyl -131:sc= -1.13 (180deg=-3.24!) USER MOD Set 3.1: A 11 CYS SG : rot -150:sc= 0.844 USER MOD Set 3.2: A 87 TYR OH : rot 61:sc= 0.927 USER MOD Single : A 4 SER OG : rot -29:sc= 0.117 USER MOD Single : A 5 MET CE :methyl -175:sc= -1.75 (180deg=-1.92) USER MOD Single : A 6 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.41) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0367 K(o=-0.037,f=-1.3!) USER MOD Single : A 34 ASN : amide:sc= -0.0887 K(o=-0.089,f=-1.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0919 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.277 USER MOD Single : A 64 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.89) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 0.58 (180deg=0.453) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0124 (180deg=-0.168) USER MOD Single : A 72 THR OG1 : rot -27:sc= -0.335 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 82:sc= 0.154 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.13) USER MOD Single : A 101 ASN : amide:sc=-0.00902 X(o=-0.009,f=-0.11) USER MOD Single : A 104 ASN : amide:sc= -0.0591 K(o=-0.059,f=-1.6!) USER MOD Single : A 105 ASN : amide:sc= -0.691 K(o=-0.69,f=-1.8!) USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0836) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 6.931 -14.311 -3.494 1.00 33.44 N ATOM 30 CA SER A 4 7.038 -13.030 -2.806 1.00 21.01 C ATOM 31 C SER A 4 5.839 -12.142 -3.122 1.00 51.52 C ATOM 32 O SER A 4 4.968 -12.513 -3.908 1.00 53.11 O ATOM 33 CB SER A 4 8.333 -12.320 -3.206 1.00 11.25 C ATOM 34 OG SER A 4 8.426 -12.182 -4.613 1.00 14.01 O ATOM 0 HA SER A 4 7.053 -13.221 -1.733 1.00 21.01 H new ATOM 0 HB2 SER A 4 8.372 -11.336 -2.738 1.00 11.25 H new ATOM 0 HB3 SER A 4 9.189 -12.883 -2.835 1.00 11.25 H new ATOM 0 HG SER A 4 7.947 -12.919 -5.046 1.00 14.01 H new ATOM 40 N MET A 5 5.802 -10.966 -2.504 1.00 1.23 N ATOM 41 CA MET A 5 4.711 -10.023 -2.720 1.00 13.13 C ATOM 42 C MET A 5 5.240 -8.598 -2.847 1.00 64.23 C ATOM 43 O MET A 5 6.328 -8.285 -2.365 1.00 32.12 O ATOM 44 CB MET A 5 3.703 -10.104 -1.571 1.00 64.00 C ATOM 45 CG MET A 5 2.275 -9.801 -1.993 1.00 31.20 C ATOM 46 SD MET A 5 1.619 -8.317 -1.208 1.00 15.24 S ATOM 47 CE MET A 5 1.570 -8.834 0.507 1.00 45.24 C ATOM 0 H MET A 5 6.515 -10.643 -1.850 1.00 1.23 H new ATOM 0 HA MET A 5 4.212 -10.291 -3.652 1.00 13.13 H new ATOM 0 HB2 MET A 5 3.740 -11.103 -1.136 1.00 64.00 H new ATOM 0 HB3 MET A 5 3.998 -9.404 -0.789 1.00 64.00 H new ATOM 0 HG2 MET A 5 2.238 -9.681 -3.076 1.00 31.20 H new ATOM 0 HG3 MET A 5 1.639 -10.650 -1.744 1.00 31.20 H new ATOM 0 HE1 MET A 5 1.103 -8.055 1.109 1.00 45.24 H new ATOM 0 HE2 MET A 5 0.992 -9.754 0.593 1.00 45.24 H new ATOM 0 HE3 MET A 5 2.585 -9.008 0.864 1.00 45.24 H new ATOM 57 N ASN A 6 4.464 -7.739 -3.500 1.00 64.35 N ATOM 58 CA ASN A 6 4.857 -6.348 -3.692 1.00 54.20 C ATOM 59 C ASN A 6 3.728 -5.404 -3.287 1.00 43.14 C ATOM 60 O ASN A 6 2.601 -5.527 -3.767 1.00 33.14 O ATOM 61 CB ASN A 6 5.244 -6.102 -5.152 1.00 11.44 C ATOM 62 CG ASN A 6 6.136 -7.196 -5.706 1.00 12.24 C ATOM 63 OD1 ASN A 6 5.674 -8.298 -6.000 1.00 62.52 O ATOM 64 ND2 ASN A 6 7.421 -6.895 -5.850 1.00 1.04 N ATOM 0 H ASN A 6 3.560 -7.982 -3.905 1.00 64.35 H new ATOM 0 HA ASN A 6 5.720 -6.149 -3.056 1.00 54.20 H new ATOM 0 HB2 ASN A 6 4.340 -6.032 -5.758 1.00 11.44 H new ATOM 0 HB3 ASN A 6 5.757 -5.143 -5.233 1.00 11.44 H new ATOM 0 HD21 ASN A 6 8.070 -7.591 -6.218 1.00 1.04 H new ATOM 0 HD22 ASN A 6 7.760 -5.968 -5.593 1.00 1.04 H new ATOM 71 N ILE A 7 4.040 -4.462 -2.404 1.00 25.24 N ATOM 72 CA ILE A 7 3.054 -3.497 -1.936 1.00 54.32 C ATOM 73 C ILE A 7 3.416 -2.083 -2.378 1.00 55.14 C ATOM 74 O ILE A 7 4.549 -1.636 -2.200 1.00 44.22 O ATOM 75 CB ILE A 7 2.921 -3.525 -0.402 1.00 5.40 C ATOM 76 CG1 ILE A 7 2.684 -4.955 0.085 1.00 25.44 C ATOM 77 CG2 ILE A 7 1.791 -2.612 0.049 1.00 41.41 C ATOM 78 CD1 ILE A 7 3.936 -5.635 0.595 1.00 31.14 C ATOM 0 H ILE A 7 4.969 -4.347 -1.998 1.00 25.24 H new ATOM 0 HA ILE A 7 2.100 -3.781 -2.380 1.00 54.32 H new ATOM 0 HB ILE A 7 3.851 -3.162 0.035 1.00 5.40 H new ATOM 0 HG12 ILE A 7 1.939 -4.941 0.880 1.00 25.44 H new ATOM 0 HG13 ILE A 7 2.267 -5.544 -0.732 1.00 25.44 H new ATOM 0 HG21 ILE A 7 1.710 -2.643 1.136 1.00 41.41 H new ATOM 0 HG22 ILE A 7 1.999 -1.591 -0.270 1.00 41.41 H new ATOM 0 HG23 ILE A 7 0.853 -2.947 -0.394 1.00 41.41 H new ATOM 0 HD11 ILE A 7 3.693 -6.645 0.924 1.00 31.14 H new ATOM 0 HD12 ILE A 7 4.676 -5.681 -0.204 1.00 31.14 H new ATOM 0 HD13 ILE A 7 4.342 -5.069 1.433 1.00 31.14 H new ATOM 90 N LEU A 8 2.445 -1.383 -2.954 1.00 53.53 N ATOM 91 CA LEU A 8 2.660 -0.017 -3.421 1.00 34.11 C ATOM 92 C LEU A 8 1.987 0.988 -2.491 1.00 44.22 C ATOM 93 O LEU A 8 0.859 0.779 -2.045 1.00 34.11 O ATOM 94 CB LEU A 8 2.121 0.147 -4.843 1.00 45.43 C ATOM 95 CG LEU A 8 2.064 1.579 -5.378 1.00 22.21 C ATOM 96 CD1 LEU A 8 3.466 2.150 -5.526 1.00 70.20 C ATOM 97 CD2 LEU A 8 1.325 1.622 -6.708 1.00 4.45 C ATOM 0 H LEU A 8 1.501 -1.738 -3.109 1.00 53.53 H new ATOM 0 HA LEU A 8 3.733 0.177 -3.421 1.00 34.11 H new ATOM 0 HB2 LEU A 8 2.740 -0.447 -5.516 1.00 45.43 H new ATOM 0 HB3 LEU A 8 1.116 -0.274 -4.880 1.00 45.43 H new ATOM 0 HG LEU A 8 1.518 2.193 -4.662 1.00 22.21 H new ATOM 0 HD11 LEU A 8 3.405 3.169 -5.908 1.00 70.20 H new ATOM 0 HD12 LEU A 8 3.961 2.155 -4.555 1.00 70.20 H new ATOM 0 HD13 LEU A 8 4.038 1.535 -6.222 1.00 70.20 H new ATOM 0 HD21 LEU A 8 1.294 2.648 -7.074 1.00 4.45 H new ATOM 0 HD22 LEU A 8 1.843 0.994 -7.433 1.00 4.45 H new ATOM 0 HD23 LEU A 8 0.308 1.255 -6.571 1.00 4.45 H new ATOM 109 N LEU A 9 2.687 2.081 -2.205 1.00 31.42 N ATOM 110 CA LEU A 9 2.157 3.121 -1.330 1.00 21.21 C ATOM 111 C LEU A 9 2.081 4.459 -2.058 1.00 64.33 C ATOM 112 O LEU A 9 3.043 4.884 -2.698 1.00 41.43 O ATOM 113 CB LEU A 9 3.029 3.256 -0.080 1.00 54.11 C ATOM 114 CG LEU A 9 2.306 3.679 1.199 1.00 2.24 C ATOM 115 CD1 LEU A 9 2.612 2.710 2.331 1.00 43.03 C ATOM 116 CD2 LEU A 9 2.698 5.097 1.589 1.00 54.31 C ATOM 0 H LEU A 9 3.622 2.270 -2.566 1.00 31.42 H new ATOM 0 HA LEU A 9 1.149 2.833 -1.033 1.00 21.21 H new ATOM 0 HB2 LEU A 9 3.518 2.299 0.102 1.00 54.11 H new ATOM 0 HB3 LEU A 9 3.815 3.982 -0.286 1.00 54.11 H new ATOM 0 HG LEU A 9 1.233 3.658 1.010 1.00 2.24 H new ATOM 0 HD11 LEU A 9 2.089 3.027 3.233 1.00 43.03 H new ATOM 0 HD12 LEU A 9 2.281 1.709 2.053 1.00 43.03 H new ATOM 0 HD13 LEU A 9 3.686 2.698 2.520 1.00 43.03 H new ATOM 0 HD21 LEU A 9 2.174 5.381 2.501 1.00 54.31 H new ATOM 0 HD22 LEU A 9 3.774 5.143 1.759 1.00 54.31 H new ATOM 0 HD23 LEU A 9 2.427 5.783 0.786 1.00 54.31 H new ATOM 128 N VAL A 10 0.932 5.119 -1.955 1.00 23.11 N ATOM 129 CA VAL A 10 0.732 6.411 -2.601 1.00 31.41 C ATOM 130 C VAL A 10 0.729 7.542 -1.579 1.00 25.32 C ATOM 131 O VAL A 10 -0.227 7.704 -0.820 1.00 24.15 O ATOM 132 CB VAL A 10 -0.590 6.444 -3.390 1.00 52.05 C ATOM 133 CG1 VAL A 10 -0.690 7.721 -4.211 1.00 71.10 C ATOM 134 CG2 VAL A 10 -0.709 5.217 -4.282 1.00 12.02 C ATOM 0 H VAL A 10 0.125 4.780 -1.430 1.00 23.11 H new ATOM 0 HA VAL A 10 1.563 6.552 -3.292 1.00 31.41 H new ATOM 0 HB VAL A 10 -1.417 6.431 -2.680 1.00 52.05 H new ATOM 0 HG11 VAL A 10 -1.631 7.727 -4.762 1.00 71.10 H new ATOM 0 HG12 VAL A 10 -0.653 8.584 -3.547 1.00 71.10 H new ATOM 0 HG13 VAL A 10 0.142 7.768 -4.914 1.00 71.10 H new ATOM 0 HG21 VAL A 10 -1.649 5.257 -4.832 1.00 12.02 H new ATOM 0 HG22 VAL A 10 0.123 5.197 -4.986 1.00 12.02 H new ATOM 0 HG23 VAL A 10 -0.686 4.317 -3.668 1.00 12.02 H new ATOM 144 N CYS A 11 1.805 8.322 -1.565 1.00 73.54 N ATOM 145 CA CYS A 11 1.927 9.439 -0.636 1.00 24.22 C ATOM 146 C CYS A 11 3.144 10.295 -0.972 1.00 71.02 C ATOM 147 O CYS A 11 3.020 11.489 -1.243 1.00 21.40 O ATOM 148 CB CYS A 11 2.032 8.925 0.801 1.00 72.22 C ATOM 149 SG CYS A 11 1.880 10.214 2.059 1.00 13.31 S ATOM 0 H CYS A 11 2.605 8.201 -2.186 1.00 73.54 H new ATOM 0 HA CYS A 11 1.034 10.056 -0.729 1.00 24.22 H new ATOM 0 HB2 CYS A 11 1.255 8.178 0.966 1.00 72.22 H new ATOM 0 HB3 CYS A 11 2.991 8.421 0.926 1.00 72.22 H new ATOM 0 HG CYS A 11 2.568 9.878 3.110 1.00 13.31 H new ATOM 232 N MET A 19 9.092 7.233 7.386 1.00 62.31 N ATOM 233 CA MET A 19 8.581 6.696 8.642 1.00 70.54 C ATOM 234 C MET A 19 7.905 5.346 8.420 1.00 15.33 C ATOM 235 O MET A 19 8.365 4.320 8.921 1.00 24.23 O ATOM 236 CB MET A 19 7.593 7.676 9.276 1.00 2.41 C ATOM 237 CG MET A 19 8.231 8.987 9.709 1.00 61.42 C ATOM 238 SD MET A 19 7.128 10.398 9.501 1.00 45.04 S ATOM 239 CE MET A 19 7.574 11.389 10.924 1.00 25.04 C ATOM 0 HA MET A 19 9.424 6.554 9.318 1.00 70.54 H new ATOM 0 HB2 MET A 19 6.796 7.887 8.564 1.00 2.41 H new ATOM 0 HB3 MET A 19 7.130 7.203 10.142 1.00 2.41 H new ATOM 0 HG2 MET A 19 8.528 8.914 10.755 1.00 61.42 H new ATOM 0 HG3 MET A 19 9.140 9.153 9.131 1.00 61.42 H new ATOM 0 HE1 MET A 19 7.096 12.366 10.851 1.00 25.04 H new ATOM 0 HE2 MET A 19 7.242 10.889 11.834 1.00 25.04 H new ATOM 0 HE3 MET A 19 8.656 11.516 10.954 1.00 25.04 H new ATOM 249 N LEU A 20 6.810 5.355 7.668 1.00 33.11 N ATOM 250 CA LEU A 20 6.069 4.131 7.381 1.00 43.23 C ATOM 251 C LEU A 20 6.989 3.062 6.800 1.00 21.21 C ATOM 252 O LEU A 20 6.971 1.910 7.235 1.00 42.14 O ATOM 253 CB LEU A 20 4.926 4.420 6.406 1.00 0.44 C ATOM 254 CG LEU A 20 3.602 4.855 7.035 1.00 33.35 C ATOM 255 CD1 LEU A 20 2.620 5.297 5.961 1.00 22.04 C ATOM 256 CD2 LEU A 20 3.011 3.726 7.868 1.00 23.00 C ATOM 0 H LEU A 20 6.415 6.196 7.246 1.00 33.11 H new ATOM 0 HA LEU A 20 5.654 3.758 8.318 1.00 43.23 H new ATOM 0 HB2 LEU A 20 5.251 5.199 5.717 1.00 0.44 H new ATOM 0 HB3 LEU A 20 4.746 3.524 5.812 1.00 0.44 H new ATOM 0 HG LEU A 20 3.796 5.703 7.692 1.00 33.35 H new ATOM 0 HD11 LEU A 20 1.684 5.603 6.428 1.00 22.04 H new ATOM 0 HD12 LEU A 20 3.040 6.136 5.407 1.00 22.04 H new ATOM 0 HD13 LEU A 20 2.431 4.469 5.278 1.00 22.04 H new ATOM 0 HD21 LEU A 20 2.069 4.053 8.308 1.00 23.00 H new ATOM 0 HD22 LEU A 20 2.832 2.859 7.232 1.00 23.00 H new ATOM 0 HD23 LEU A 20 3.708 3.456 8.662 1.00 23.00 H new ATOM 268 N VAL A 21 7.794 3.451 5.817 1.00 42.33 N ATOM 269 CA VAL A 21 8.724 2.527 5.179 1.00 41.24 C ATOM 270 C VAL A 21 9.694 1.935 6.195 1.00 60.34 C ATOM 271 O VAL A 21 9.960 0.733 6.185 1.00 42.22 O ATOM 272 CB VAL A 21 9.527 3.221 4.062 1.00 23.23 C ATOM 273 CG1 VAL A 21 10.465 2.233 3.386 1.00 25.44 C ATOM 274 CG2 VAL A 21 8.589 3.857 3.048 1.00 1.20 C ATOM 0 H VAL A 21 7.821 4.400 5.445 1.00 42.33 H new ATOM 0 HA VAL A 21 8.126 1.727 4.743 1.00 41.24 H new ATOM 0 HB VAL A 21 10.131 4.011 4.509 1.00 23.23 H new ATOM 0 HG11 VAL A 21 11.024 2.741 2.600 1.00 25.44 H new ATOM 0 HG12 VAL A 21 11.160 1.829 4.122 1.00 25.44 H new ATOM 0 HG13 VAL A 21 9.884 1.420 2.951 1.00 25.44 H new ATOM 0 HG21 VAL A 21 9.173 4.343 2.266 1.00 1.20 H new ATOM 0 HG22 VAL A 21 7.957 3.088 2.604 1.00 1.20 H new ATOM 0 HG23 VAL A 21 7.963 4.597 3.546 1.00 1.20 H new ATOM 284 N GLN A 22 10.218 2.786 7.070 1.00 5.02 N ATOM 285 CA GLN A 22 11.160 2.346 8.093 1.00 34.12 C ATOM 286 C GLN A 22 10.532 1.283 8.989 1.00 63.53 C ATOM 287 O GLN A 22 11.053 0.173 9.110 1.00 54.44 O ATOM 288 CB GLN A 22 11.619 3.535 8.939 1.00 65.14 C ATOM 289 CG GLN A 22 12.852 4.234 8.387 1.00 75.45 C ATOM 290 CD GLN A 22 14.142 3.558 8.806 1.00 44.41 C ATOM 291 OE1 GLN A 22 14.145 2.395 9.209 1.00 65.23 O ATOM 292 NE2 GLN A 22 15.249 4.287 8.713 1.00 31.34 N ATOM 0 H GLN A 22 10.007 3.784 7.092 1.00 5.02 H new ATOM 0 HA GLN A 22 12.024 1.910 7.592 1.00 34.12 H new ATOM 0 HB2 GLN A 22 10.804 4.256 9.010 1.00 65.14 H new ATOM 0 HB3 GLN A 22 11.829 3.190 9.951 1.00 65.14 H new ATOM 0 HG2 GLN A 22 12.795 4.257 7.299 1.00 75.45 H new ATOM 0 HG3 GLN A 22 12.861 5.269 8.728 1.00 75.45 H new ATOM 0 HE21 GLN A 22 15.200 5.248 8.373 1.00 31.34 H new ATOM 0 HE22 GLN A 22 16.148 3.886 8.981 1.00 31.34 H new ATOM 301 N ARG A 23 9.412 1.629 9.614 1.00 22.35 N ATOM 302 CA ARG A 23 8.715 0.704 10.500 1.00 11.23 C ATOM 303 C ARG A 23 8.422 -0.614 9.789 1.00 5.13 C ATOM 304 O ARG A 23 8.848 -1.679 10.237 1.00 74.31 O ATOM 305 CB ARG A 23 7.410 1.328 10.998 1.00 32.13 C ATOM 306 CG ARG A 23 7.598 2.676 11.674 1.00 41.30 C ATOM 307 CD ARG A 23 7.259 2.609 13.155 1.00 44.41 C ATOM 308 NE ARG A 23 8.186 1.753 13.890 1.00 21.02 N ATOM 309 CZ ARG A 23 7.969 1.329 15.130 1.00 13.23 C ATOM 310 NH1 ARG A 23 6.862 1.680 15.770 1.00 52.41 N ATOM 311 NH2 ARG A 23 8.860 0.552 15.733 1.00 54.02 N ATOM 0 H ARG A 23 8.968 2.543 9.524 1.00 22.35 H new ATOM 0 HA ARG A 23 9.362 0.500 11.353 1.00 11.23 H new ATOM 0 HB2 ARG A 23 6.729 1.446 10.155 1.00 32.13 H new ATOM 0 HB3 ARG A 23 6.934 0.643 11.699 1.00 32.13 H new ATOM 0 HG2 ARG A 23 8.630 3.005 11.550 1.00 41.30 H new ATOM 0 HG3 ARG A 23 6.966 3.419 11.188 1.00 41.30 H new ATOM 0 HD2 ARG A 23 7.280 3.614 13.578 1.00 44.41 H new ATOM 0 HD3 ARG A 23 6.243 2.233 13.278 1.00 44.41 H new ATOM 0 HE ARG A 23 9.047 1.465 13.426 1.00 21.02 H new ATOM 0 HH11 ARG A 23 6.175 2.277 15.310 1.00 52.41 H new ATOM 0 HH12 ARG A 23 6.698 1.353 16.722 1.00 52.41 H new ATOM 0 HH21 ARG A 23 9.713 0.280 15.244 1.00 54.02 H new ATOM 0 HH22 ARG A 23 8.692 0.227 16.685 1.00 54.02 H new ATOM 325 N ILE A 24 7.694 -0.533 8.681 1.00 63.22 N ATOM 326 CA ILE A 24 7.346 -1.719 7.908 1.00 32.24 C ATOM 327 C ILE A 24 8.587 -2.535 7.563 1.00 2.15 C ATOM 328 O ILE A 24 8.632 -3.742 7.795 1.00 21.45 O ATOM 329 CB ILE A 24 6.611 -1.348 6.607 1.00 45.43 C ATOM 330 CG1 ILE A 24 5.341 -0.556 6.921 1.00 54.53 C ATOM 331 CG2 ILE A 24 6.278 -2.600 5.810 1.00 22.34 C ATOM 332 CD1 ILE A 24 4.801 0.215 5.736 1.00 12.12 C ATOM 0 H ILE A 24 7.334 0.341 8.298 1.00 63.22 H new ATOM 0 HA ILE A 24 6.683 -2.318 8.532 1.00 32.24 H new ATOM 0 HB ILE A 24 7.267 -0.721 6.003 1.00 45.43 H new ATOM 0 HG12 ILE A 24 4.573 -1.243 7.278 1.00 54.53 H new ATOM 0 HG13 ILE A 24 5.548 0.140 7.733 1.00 54.53 H new ATOM 0 HG21 ILE A 24 5.759 -2.320 4.893 1.00 22.34 H new ATOM 0 HG22 ILE A 24 7.198 -3.127 5.559 1.00 22.34 H new ATOM 0 HG23 ILE A 24 5.638 -3.251 6.406 1.00 22.34 H new ATOM 0 HD11 ILE A 24 3.900 0.753 6.032 1.00 12.12 H new ATOM 0 HD12 ILE A 24 5.552 0.926 5.392 1.00 12.12 H new ATOM 0 HD13 ILE A 24 4.562 -0.478 4.930 1.00 12.12 H new ATOM 344 N GLU A 25 9.593 -1.866 7.010 1.00 45.53 N ATOM 345 CA GLU A 25 10.836 -2.529 6.634 1.00 64.11 C ATOM 346 C GLU A 25 11.451 -3.251 7.830 1.00 51.12 C ATOM 347 O GLU A 25 12.011 -4.339 7.693 1.00 55.14 O ATOM 348 CB GLU A 25 11.833 -1.514 6.070 1.00 15.53 C ATOM 349 CG GLU A 25 11.586 -1.164 4.612 1.00 24.32 C ATOM 350 CD GLU A 25 11.735 -2.361 3.693 1.00 45.24 C ATOM 351 OE1 GLU A 25 12.532 -3.265 4.021 1.00 44.23 O ATOM 352 OE2 GLU A 25 11.056 -2.393 2.645 1.00 22.34 O ATOM 0 H GLU A 25 9.572 -0.866 6.812 1.00 45.53 H new ATOM 0 HA GLU A 25 10.605 -3.266 5.865 1.00 64.11 H new ATOM 0 HB2 GLU A 25 11.788 -0.603 6.666 1.00 15.53 H new ATOM 0 HB3 GLU A 25 12.842 -1.913 6.173 1.00 15.53 H new ATOM 0 HG2 GLU A 25 10.583 -0.752 4.506 1.00 24.32 H new ATOM 0 HG3 GLU A 25 12.285 -0.386 4.305 1.00 24.32 H new ATOM 359 N LYS A 26 11.343 -2.637 9.003 1.00 11.02 N ATOM 360 CA LYS A 26 11.886 -3.219 10.225 1.00 63.04 C ATOM 361 C LYS A 26 11.157 -4.510 10.583 1.00 2.13 C ATOM 362 O LYS A 26 11.775 -5.566 10.720 1.00 3.11 O ATOM 363 CB LYS A 26 11.779 -2.222 11.381 1.00 60.03 C ATOM 364 CG LYS A 26 13.019 -1.363 11.560 1.00 54.32 C ATOM 365 CD LYS A 26 13.451 -1.304 13.015 1.00 31.24 C ATOM 366 CE LYS A 26 14.615 -0.345 13.213 1.00 53.01 C ATOM 367 NZ LYS A 26 15.859 -1.058 13.614 1.00 41.12 N ATOM 0 H LYS A 26 10.884 -1.736 9.134 1.00 11.02 H new ATOM 0 HA LYS A 26 12.937 -3.452 10.051 1.00 63.04 H new ATOM 0 HB2 LYS A 26 10.919 -1.574 11.212 1.00 60.03 H new ATOM 0 HB3 LYS A 26 11.589 -2.769 12.305 1.00 60.03 H new ATOM 0 HG2 LYS A 26 13.831 -1.765 10.954 1.00 54.32 H new ATOM 0 HG3 LYS A 26 12.820 -0.355 11.198 1.00 54.32 H new ATOM 0 HD2 LYS A 26 12.610 -0.989 13.633 1.00 31.24 H new ATOM 0 HD3 LYS A 26 13.738 -2.300 13.351 1.00 31.24 H new ATOM 0 HE2 LYS A 26 14.793 0.205 12.289 1.00 53.01 H new ATOM 0 HE3 LYS A 26 14.355 0.389 13.976 1.00 53.01 H new ATOM 0 HZ1 LYS A 26 16.629 -0.370 13.739 1.00 41.12 H new ATOM 0 HZ2 LYS A 26 15.697 -1.562 14.509 1.00 41.12 H new ATOM 0 HZ3 LYS A 26 16.122 -1.741 12.875 1.00 41.12 H new ATOM 381 N TYR A 27 9.841 -4.418 10.733 1.00 75.21 N ATOM 382 CA TYR A 27 9.028 -5.579 11.077 1.00 54.25 C ATOM 383 C TYR A 27 9.291 -6.733 10.114 1.00 3.20 C ATOM 384 O TYR A 27 9.514 -7.868 10.534 1.00 1.33 O ATOM 385 CB TYR A 27 7.543 -5.212 11.056 1.00 52.11 C ATOM 386 CG TYR A 27 6.625 -6.390 11.293 1.00 53.33 C ATOM 387 CD1 TYR A 27 6.207 -7.193 10.238 1.00 0.25 C ATOM 388 CD2 TYR A 27 6.174 -6.699 12.570 1.00 1.11 C ATOM 389 CE1 TYR A 27 5.368 -8.270 10.450 1.00 53.42 C ATOM 390 CE2 TYR A 27 5.336 -7.774 12.791 1.00 71.51 C ATOM 391 CZ TYR A 27 4.935 -8.557 11.728 1.00 43.42 C ATOM 392 OH TYR A 27 4.099 -9.628 11.943 1.00 22.15 O ATOM 0 H TYR A 27 9.314 -3.552 10.622 1.00 75.21 H new ATOM 0 HA TYR A 27 9.303 -5.898 12.082 1.00 54.25 H new ATOM 0 HB2 TYR A 27 7.353 -4.455 11.817 1.00 52.11 H new ATOM 0 HB3 TYR A 27 7.302 -4.762 10.093 1.00 52.11 H new ATOM 0 HD1 TYR A 27 6.544 -6.971 9.236 1.00 0.25 H new ATOM 0 HD2 TYR A 27 6.484 -6.088 13.405 1.00 1.11 H new ATOM 0 HE1 TYR A 27 5.053 -8.884 9.619 1.00 53.42 H new ATOM 0 HE2 TYR A 27 4.996 -8.001 13.791 1.00 71.51 H new ATOM 0 HH TYR A 27 3.889 -9.692 12.898 1.00 22.15 H new ATOM 402 N ALA A 28 9.265 -6.433 8.820 1.00 55.14 N ATOM 403 CA ALA A 28 9.503 -7.443 7.796 1.00 21.13 C ATOM 404 C ALA A 28 10.926 -7.984 7.880 1.00 23.22 C ATOM 405 O ALA A 28 11.141 -9.196 7.898 1.00 71.41 O ATOM 406 CB ALA A 28 9.236 -6.867 6.414 1.00 41.04 C ATOM 0 H ALA A 28 9.081 -5.498 8.456 1.00 55.14 H new ATOM 0 HA ALA A 28 8.816 -8.271 7.971 1.00 21.13 H new ATOM 0 HB1 ALA A 28 9.418 -7.632 5.659 1.00 41.04 H new ATOM 0 HB2 ALA A 28 8.200 -6.535 6.352 1.00 41.04 H new ATOM 0 HB3 ALA A 28 9.899 -6.020 6.239 1.00 41.04 H new ATOM 412 N LYS A 29 11.897 -7.078 7.931 1.00 33.02 N ATOM 413 CA LYS A 29 13.300 -7.463 8.014 1.00 65.52 C ATOM 414 C LYS A 29 13.559 -8.313 9.254 1.00 44.00 C ATOM 415 O LYS A 29 14.474 -9.137 9.274 1.00 51.41 O ATOM 416 CB LYS A 29 14.192 -6.220 8.040 1.00 55.54 C ATOM 417 CG LYS A 29 15.670 -6.533 8.190 1.00 70.41 C ATOM 418 CD LYS A 29 16.187 -6.140 9.564 1.00 74.52 C ATOM 419 CE LYS A 29 17.451 -6.905 9.923 1.00 5.13 C ATOM 420 NZ LYS A 29 17.836 -6.703 11.348 1.00 52.13 N ATOM 0 H LYS A 29 11.737 -6.071 7.916 1.00 33.02 H new ATOM 0 HA LYS A 29 13.540 -8.056 7.131 1.00 65.52 H new ATOM 0 HB2 LYS A 29 14.041 -5.656 7.120 1.00 55.54 H new ATOM 0 HB3 LYS A 29 13.880 -5.577 8.863 1.00 55.54 H new ATOM 0 HG2 LYS A 29 15.835 -7.598 8.029 1.00 70.41 H new ATOM 0 HG3 LYS A 29 16.235 -6.003 7.423 1.00 70.41 H new ATOM 0 HD2 LYS A 29 16.390 -5.069 9.585 1.00 74.52 H new ATOM 0 HD3 LYS A 29 15.418 -6.333 10.312 1.00 74.52 H new ATOM 0 HE2 LYS A 29 17.298 -7.968 9.735 1.00 5.13 H new ATOM 0 HE3 LYS A 29 18.267 -6.582 9.277 1.00 5.13 H new ATOM 0 HZ1 LYS A 29 18.702 -7.241 11.553 1.00 52.13 H new ATOM 0 HZ2 LYS A 29 18.007 -5.692 11.521 1.00 52.13 H new ATOM 0 HZ3 LYS A 29 17.068 -7.035 11.966 1.00 52.13 H new ATOM 434 N SER A 30 12.747 -8.108 10.286 1.00 5.12 N ATOM 435 CA SER A 30 12.891 -8.854 11.531 1.00 14.31 C ATOM 436 C SER A 30 12.167 -10.194 11.447 1.00 25.54 C ATOM 437 O SER A 30 12.686 -11.222 11.886 1.00 15.54 O ATOM 438 CB SER A 30 12.343 -8.039 12.704 1.00 1.44 C ATOM 439 OG SER A 30 12.872 -8.499 13.936 1.00 73.01 O ATOM 0 H SER A 30 11.983 -7.432 10.285 1.00 5.12 H new ATOM 0 HA SER A 30 13.952 -9.043 11.693 1.00 14.31 H new ATOM 0 HB2 SER A 30 12.592 -6.987 12.568 1.00 1.44 H new ATOM 0 HB3 SER A 30 11.255 -8.109 12.723 1.00 1.44 H new ATOM 0 HG SER A 30 12.508 -7.961 14.670 1.00 73.01 H new ATOM 445 N LYS A 31 10.966 -10.177 10.880 1.00 20.12 N ATOM 446 CA LYS A 31 10.170 -11.390 10.736 1.00 13.03 C ATOM 447 C LYS A 31 10.748 -12.296 9.654 1.00 44.41 C ATOM 448 O LYS A 31 10.418 -13.478 9.579 1.00 22.23 O ATOM 449 CB LYS A 31 8.720 -11.036 10.398 1.00 12.32 C ATOM 450 CG LYS A 31 7.964 -10.402 11.553 1.00 55.31 C ATOM 451 CD LYS A 31 7.899 -11.330 12.754 1.00 74.32 C ATOM 452 CE LYS A 31 8.711 -10.790 13.921 1.00 53.12 C ATOM 453 NZ LYS A 31 8.621 -11.674 15.115 1.00 24.55 N ATOM 0 H LYS A 31 10.522 -9.336 10.512 1.00 20.12 H new ATOM 0 HA LYS A 31 10.196 -11.925 11.685 1.00 13.03 H new ATOM 0 HB2 LYS A 31 8.710 -10.352 9.549 1.00 12.32 H new ATOM 0 HB3 LYS A 31 8.197 -11.940 10.085 1.00 12.32 H new ATOM 0 HG2 LYS A 31 8.450 -9.469 11.839 1.00 55.31 H new ATOM 0 HG3 LYS A 31 6.953 -10.149 11.232 1.00 55.31 H new ATOM 0 HD2 LYS A 31 6.861 -11.458 13.060 1.00 74.32 H new ATOM 0 HD3 LYS A 31 8.273 -12.315 12.474 1.00 74.32 H new ATOM 0 HE2 LYS A 31 9.754 -10.689 13.622 1.00 53.12 H new ATOM 0 HE3 LYS A 31 8.356 -9.793 14.180 1.00 53.12 H new ATOM 0 HZ1 LYS A 31 9.188 -11.271 15.888 1.00 24.55 H new ATOM 0 HZ2 LYS A 31 7.629 -11.750 15.416 1.00 24.55 H new ATOM 0 HZ3 LYS A 31 8.984 -12.619 14.876 1.00 24.55 H new ATOM 467 N ASN A 32 11.615 -11.732 8.818 1.00 75.01 N ATOM 468 CA ASN A 32 12.240 -12.490 7.740 1.00 10.40 C ATOM 469 C ASN A 32 11.197 -12.967 6.734 1.00 11.21 C ATOM 470 O ASN A 32 11.018 -14.168 6.533 1.00 63.42 O ATOM 471 CB ASN A 32 13.003 -13.688 8.307 1.00 24.13 C ATOM 472 CG ASN A 32 14.084 -14.183 7.366 1.00 65.10 C ATOM 473 OD1 ASN A 32 13.891 -14.232 6.151 1.00 34.22 O ATOM 474 ND2 ASN A 32 15.231 -14.553 7.924 1.00 20.25 N ATOM 0 H ASN A 32 11.900 -10.754 8.867 1.00 75.01 H new ATOM 0 HA ASN A 32 12.940 -11.832 7.226 1.00 10.40 H new ATOM 0 HB2 ASN A 32 13.454 -13.410 9.260 1.00 24.13 H new ATOM 0 HB3 ASN A 32 12.303 -14.498 8.510 1.00 24.13 H new ATOM 0 HD21 ASN A 32 15.995 -14.894 7.341 1.00 20.25 H new ATOM 0 HD22 ASN A 32 15.348 -14.496 8.936 1.00 20.25 H new ATOM 481 N ILE A 33 10.512 -12.018 6.105 1.00 13.35 N ATOM 482 CA ILE A 33 9.488 -12.341 5.119 1.00 20.05 C ATOM 483 C ILE A 33 9.907 -11.891 3.724 1.00 23.30 C ATOM 484 O ILE A 33 10.545 -10.852 3.561 1.00 21.04 O ATOM 485 CB ILE A 33 8.139 -11.688 5.473 1.00 0.35 C ATOM 486 CG1 ILE A 33 7.670 -12.150 6.855 1.00 65.13 C ATOM 487 CG2 ILE A 33 7.096 -12.019 4.416 1.00 5.21 C ATOM 488 CD1 ILE A 33 6.633 -11.241 7.476 1.00 23.44 C ATOM 0 H ILE A 33 10.648 -11.019 6.261 1.00 13.35 H new ATOM 0 HA ILE A 33 9.371 -13.425 5.129 1.00 20.05 H new ATOM 0 HB ILE A 33 8.272 -10.606 5.498 1.00 0.35 H new ATOM 0 HG12 ILE A 33 7.257 -13.155 6.772 1.00 65.13 H new ATOM 0 HG13 ILE A 33 8.531 -12.213 7.520 1.00 65.13 H new ATOM 0 HG21 ILE A 33 6.148 -11.550 4.681 1.00 5.21 H new ATOM 0 HG22 ILE A 33 7.428 -11.645 3.448 1.00 5.21 H new ATOM 0 HG23 ILE A 33 6.964 -13.100 4.361 1.00 5.21 H new ATOM 0 HD11 ILE A 33 6.347 -11.630 8.453 1.00 23.44 H new ATOM 0 HD12 ILE A 33 7.049 -10.240 7.591 1.00 23.44 H new ATOM 0 HD13 ILE A 33 5.755 -11.197 6.832 1.00 23.44 H new ATOM 500 N ASN A 34 9.542 -12.681 2.719 1.00 25.12 N ATOM 501 CA ASN A 34 9.880 -12.364 1.336 1.00 13.43 C ATOM 502 C ASN A 34 8.863 -11.397 0.736 1.00 34.54 C ATOM 503 O ASN A 34 7.939 -11.809 0.036 1.00 73.25 O ATOM 504 CB ASN A 34 9.941 -13.642 0.498 1.00 23.11 C ATOM 505 CG ASN A 34 11.232 -14.410 0.709 1.00 41.23 C ATOM 506 OD1 ASN A 34 12.249 -13.839 1.103 1.00 63.40 O ATOM 507 ND2 ASN A 34 11.196 -15.711 0.446 1.00 40.03 N ATOM 0 H ASN A 34 9.012 -13.545 2.836 1.00 25.12 H new ATOM 0 HA ASN A 34 10.859 -11.885 1.328 1.00 13.43 H new ATOM 0 HB2 ASN A 34 9.095 -14.281 0.753 1.00 23.11 H new ATOM 0 HB3 ASN A 34 9.841 -13.387 -0.557 1.00 23.11 H new ATOM 0 HD21 ASN A 34 12.034 -16.279 0.569 1.00 40.03 H new ATOM 0 HD22 ASN A 34 10.330 -16.142 0.121 1.00 40.03 H new ATOM 514 N ALA A 35 9.040 -10.111 1.017 1.00 43.43 N ATOM 515 CA ALA A 35 8.140 -9.086 0.503 1.00 43.40 C ATOM 516 C ALA A 35 8.866 -7.756 0.326 1.00 21.21 C ATOM 517 O ALA A 35 9.926 -7.532 0.913 1.00 54.14 O ATOM 518 CB ALA A 35 6.947 -8.918 1.431 1.00 14.14 C ATOM 0 H ALA A 35 9.798 -9.754 1.598 1.00 43.43 H new ATOM 0 HA ALA A 35 7.783 -9.408 -0.475 1.00 43.40 H new ATOM 0 HB1 ALA A 35 6.283 -8.149 1.035 1.00 14.14 H new ATOM 0 HB2 ALA A 35 6.407 -9.862 1.504 1.00 14.14 H new ATOM 0 HB3 ALA A 35 7.295 -8.622 2.421 1.00 14.14 H new ATOM 524 N THR A 36 8.290 -6.876 -0.487 1.00 20.11 N ATOM 525 CA THR A 36 8.883 -5.570 -0.743 1.00 0.44 C ATOM 526 C THR A 36 7.817 -4.481 -0.784 1.00 2.54 C ATOM 527 O THR A 36 6.645 -4.756 -1.043 1.00 2.42 O ATOM 528 CB THR A 36 9.665 -5.557 -2.070 1.00 34.42 C ATOM 529 OG1 THR A 36 10.326 -4.298 -2.237 1.00 60.43 O ATOM 530 CG2 THR A 36 8.735 -5.808 -3.248 1.00 21.34 C ATOM 0 H THR A 36 7.413 -7.045 -0.980 1.00 20.11 H new ATOM 0 HA THR A 36 9.572 -5.370 0.078 1.00 0.44 H new ATOM 0 HB THR A 36 10.407 -6.354 -2.037 1.00 34.42 H new ATOM 0 HG1 THR A 36 10.822 -4.299 -3.082 1.00 60.43 H new ATOM 0 HG21 THR A 36 9.309 -5.794 -4.174 1.00 21.34 H new ATOM 0 HG22 THR A 36 8.256 -6.780 -3.133 1.00 21.34 H new ATOM 0 HG23 THR A 36 7.973 -5.030 -3.282 1.00 21.34 H new ATOM 538 N ILE A 37 8.231 -3.244 -0.527 1.00 70.23 N ATOM 539 CA ILE A 37 7.311 -2.114 -0.537 1.00 51.21 C ATOM 540 C ILE A 37 7.970 -0.874 -1.132 1.00 74.04 C ATOM 541 O ILE A 37 9.172 -0.664 -0.979 1.00 63.50 O ATOM 542 CB ILE A 37 6.809 -1.784 0.881 1.00 4.22 C ATOM 543 CG1 ILE A 37 5.747 -0.684 0.827 1.00 32.20 C ATOM 544 CG2 ILE A 37 7.971 -1.362 1.769 1.00 33.40 C ATOM 545 CD1 ILE A 37 4.920 -0.581 2.089 1.00 15.42 C ATOM 0 H ILE A 37 9.197 -3.000 -0.310 1.00 70.23 H new ATOM 0 HA ILE A 37 6.462 -2.404 -1.156 1.00 51.21 H new ATOM 0 HB ILE A 37 6.357 -2.679 1.308 1.00 4.22 H new ATOM 0 HG12 ILE A 37 6.236 0.273 0.643 1.00 32.20 H new ATOM 0 HG13 ILE A 37 5.084 -0.871 -0.018 1.00 32.20 H new ATOM 0 HG21 ILE A 37 7.601 -1.132 2.768 1.00 33.40 H new ATOM 0 HG22 ILE A 37 8.696 -2.173 1.829 1.00 33.40 H new ATOM 0 HG23 ILE A 37 8.449 -0.478 1.347 1.00 33.40 H new ATOM 0 HD11 ILE A 37 4.188 0.219 1.980 1.00 15.42 H new ATOM 0 HD12 ILE A 37 4.403 -1.525 2.263 1.00 15.42 H new ATOM 0 HD13 ILE A 37 5.572 -0.363 2.935 1.00 15.42 H new ATOM 557 N GLU A 38 7.172 -0.055 -1.811 1.00 1.32 N ATOM 558 CA GLU A 38 7.678 1.165 -2.428 1.00 44.32 C ATOM 559 C GLU A 38 6.648 2.288 -2.340 1.00 62.33 C ATOM 560 O GLU A 38 5.445 2.037 -2.279 1.00 60.34 O ATOM 561 CB GLU A 38 8.045 0.909 -3.891 1.00 64.54 C ATOM 562 CG GLU A 38 9.180 1.784 -4.397 1.00 31.30 C ATOM 563 CD GLU A 38 10.173 1.017 -5.249 1.00 53.21 C ATOM 564 OE1 GLU A 38 9.751 0.070 -5.945 1.00 41.23 O ATOM 565 OE2 GLU A 38 11.372 1.365 -5.220 1.00 12.24 O ATOM 0 H GLU A 38 6.174 -0.214 -1.947 1.00 1.32 H new ATOM 0 HA GLU A 38 8.572 1.472 -1.885 1.00 44.32 H new ATOM 0 HB2 GLU A 38 8.325 -0.138 -4.009 1.00 64.54 H new ATOM 0 HB3 GLU A 38 7.165 1.076 -4.512 1.00 64.54 H new ATOM 0 HG2 GLU A 38 8.767 2.607 -4.980 1.00 31.30 H new ATOM 0 HG3 GLU A 38 9.701 2.225 -3.547 1.00 31.30 H new ATOM 572 N ALA A 39 7.130 3.526 -2.334 1.00 3.15 N ATOM 573 CA ALA A 39 6.252 4.687 -2.254 1.00 45.15 C ATOM 574 C ALA A 39 6.453 5.610 -3.452 1.00 22.31 C ATOM 575 O ALA A 39 7.580 5.984 -3.777 1.00 5.14 O ATOM 576 CB ALA A 39 6.494 5.444 -0.957 1.00 34.44 C ATOM 0 H ALA A 39 8.124 3.751 -2.384 1.00 3.15 H new ATOM 0 HA ALA A 39 5.221 4.333 -2.268 1.00 45.15 H new ATOM 0 HB1 ALA A 39 5.831 6.308 -0.911 1.00 34.44 H new ATOM 0 HB2 ALA A 39 6.294 4.788 -0.110 1.00 34.44 H new ATOM 0 HB3 ALA A 39 7.531 5.779 -0.919 1.00 34.44 H new ATOM 582 N ILE A 40 5.354 5.972 -4.105 1.00 20.32 N ATOM 583 CA ILE A 40 5.410 6.851 -5.266 1.00 65.21 C ATOM 584 C ILE A 40 4.125 7.659 -5.407 1.00 31.30 C ATOM 585 O ILE A 40 3.217 7.549 -4.583 1.00 64.12 O ATOM 586 CB ILE A 40 5.648 6.055 -6.563 1.00 45.42 C ATOM 587 CG1 ILE A 40 4.637 4.913 -6.680 1.00 2.14 C ATOM 588 CG2 ILE A 40 7.071 5.517 -6.601 1.00 32.21 C ATOM 589 CD1 ILE A 40 3.818 4.958 -7.950 1.00 51.53 C ATOM 0 H ILE A 40 4.414 5.670 -3.850 1.00 20.32 H new ATOM 0 HA ILE A 40 6.247 7.531 -5.107 1.00 65.21 H new ATOM 0 HB ILE A 40 5.511 6.724 -7.412 1.00 45.42 H new ATOM 0 HG12 ILE A 40 5.168 3.962 -6.634 1.00 2.14 H new ATOM 0 HG13 ILE A 40 3.965 4.945 -5.823 1.00 2.14 H new ATOM 0 HG21 ILE A 40 7.224 4.957 -7.524 1.00 32.21 H new ATOM 0 HG22 ILE A 40 7.775 6.348 -6.560 1.00 32.21 H new ATOM 0 HG23 ILE A 40 7.235 4.860 -5.747 1.00 32.21 H new ATOM 0 HD11 ILE A 40 3.123 4.118 -7.965 1.00 51.53 H new ATOM 0 HD12 ILE A 40 3.259 5.893 -7.989 1.00 51.53 H new ATOM 0 HD13 ILE A 40 4.481 4.895 -8.813 1.00 51.53 H new ATOM 601 N ALA A 41 4.054 8.469 -6.458 1.00 0.22 N ATOM 602 CA ALA A 41 2.878 9.293 -6.709 1.00 61.24 C ATOM 603 C ALA A 41 1.825 8.520 -7.496 1.00 52.22 C ATOM 604 O ALA A 41 2.007 7.342 -7.803 1.00 14.55 O ATOM 605 CB ALA A 41 3.271 10.561 -7.453 1.00 71.55 C ATOM 0 H ALA A 41 4.797 8.572 -7.149 1.00 0.22 H new ATOM 0 HA ALA A 41 2.445 9.569 -5.747 1.00 61.24 H new ATOM 0 HB1 ALA A 41 2.383 11.167 -7.634 1.00 71.55 H new ATOM 0 HB2 ALA A 41 3.982 11.129 -6.853 1.00 71.55 H new ATOM 0 HB3 ALA A 41 3.730 10.296 -8.406 1.00 71.55 H new ATOM 611 N GLU A 42 0.724 9.191 -7.819 1.00 54.34 N ATOM 612 CA GLU A 42 -0.359 8.566 -8.569 1.00 70.44 C ATOM 613 C GLU A 42 -0.041 8.536 -10.062 1.00 10.14 C ATOM 614 O GLU A 42 -0.538 7.683 -10.798 1.00 13.40 O ATOM 615 CB GLU A 42 -1.673 9.313 -8.331 1.00 43.24 C ATOM 616 CG GLU A 42 -1.649 10.754 -8.813 1.00 70.03 C ATOM 617 CD GLU A 42 -2.497 10.969 -10.052 1.00 30.21 C ATOM 618 OE1 GLU A 42 -2.234 10.300 -11.073 1.00 40.15 O ATOM 619 OE2 GLU A 42 -3.423 11.805 -10.000 1.00 42.01 O ATOM 0 H GLU A 42 0.559 10.167 -7.573 1.00 54.34 H new ATOM 0 HA GLU A 42 -0.465 7.540 -8.217 1.00 70.44 H new ATOM 0 HB2 GLU A 42 -2.480 8.783 -8.837 1.00 43.24 H new ATOM 0 HB3 GLU A 42 -1.902 9.299 -7.265 1.00 43.24 H new ATOM 0 HG2 GLU A 42 -2.006 11.406 -8.016 1.00 70.03 H new ATOM 0 HG3 GLU A 42 -0.620 11.045 -9.026 1.00 70.03 H new ATOM 626 N THR A 43 0.791 9.475 -10.502 1.00 63.30 N ATOM 627 CA THR A 43 1.175 9.558 -11.906 1.00 11.55 C ATOM 628 C THR A 43 1.931 8.310 -12.344 1.00 72.44 C ATOM 629 O THR A 43 1.763 7.833 -13.467 1.00 52.42 O ATOM 630 CB THR A 43 2.051 10.796 -12.176 1.00 10.35 C ATOM 631 OG1 THR A 43 2.436 10.832 -13.554 1.00 44.51 O ATOM 632 CG2 THR A 43 3.293 10.783 -11.297 1.00 34.43 C ATOM 0 H THR A 43 1.212 10.188 -9.907 1.00 63.30 H new ATOM 0 HA THR A 43 0.253 9.641 -12.481 1.00 11.55 H new ATOM 0 HB THR A 43 1.467 11.685 -11.939 1.00 10.35 H new ATOM 0 HG1 THR A 43 2.991 11.623 -13.718 1.00 44.51 H new ATOM 0 HG21 THR A 43 3.896 11.667 -11.506 1.00 34.43 H new ATOM 0 HG22 THR A 43 2.996 10.785 -10.248 1.00 34.43 H new ATOM 0 HG23 THR A 43 3.878 9.887 -11.507 1.00 34.43 H new ATOM 640 N ARG A 44 2.763 7.783 -11.452 1.00 31.00 N ATOM 641 CA ARG A 44 3.545 6.589 -11.748 1.00 61.12 C ATOM 642 C ARG A 44 2.958 5.367 -11.048 1.00 71.22 C ATOM 643 O ARG A 44 3.625 4.342 -10.901 1.00 70.22 O ATOM 644 CB ARG A 44 5.000 6.786 -11.318 1.00 12.41 C ATOM 645 CG ARG A 44 5.825 7.590 -12.310 1.00 72.51 C ATOM 646 CD ARG A 44 7.203 7.913 -11.756 1.00 23.24 C ATOM 647 NE ARG A 44 8.004 8.691 -12.698 1.00 34.34 N ATOM 648 CZ ARG A 44 7.791 9.976 -12.956 1.00 50.21 C ATOM 649 NH1 ARG A 44 6.809 10.625 -12.346 1.00 33.21 N ATOM 650 NH2 ARG A 44 8.562 10.616 -13.826 1.00 61.32 N ATOM 0 H ARG A 44 2.913 8.164 -10.518 1.00 31.00 H new ATOM 0 HA ARG A 44 3.511 6.421 -12.824 1.00 61.12 H new ATOM 0 HB2 ARG A 44 5.019 7.288 -10.351 1.00 12.41 H new ATOM 0 HB3 ARG A 44 5.464 5.810 -11.179 1.00 12.41 H new ATOM 0 HG2 ARG A 44 5.928 7.029 -13.239 1.00 72.51 H new ATOM 0 HG3 ARG A 44 5.303 8.516 -12.553 1.00 72.51 H new ATOM 0 HD2 ARG A 44 7.098 8.469 -10.824 1.00 23.24 H new ATOM 0 HD3 ARG A 44 7.724 6.986 -11.517 1.00 23.24 H new ATOM 0 HE ARG A 44 8.768 8.222 -13.184 1.00 34.34 H new ATOM 0 HH11 ARG A 44 6.214 10.137 -11.676 1.00 33.21 H new ATOM 0 HH12 ARG A 44 6.648 11.612 -12.547 1.00 33.21 H new ATOM 0 HH21 ARG A 44 9.319 10.121 -14.297 1.00 61.32 H new ATOM 0 HH22 ARG A 44 8.398 11.603 -14.024 1.00 61.32 H new ATOM 664 N LEU A 45 1.706 5.483 -10.618 1.00 24.41 N ATOM 665 CA LEU A 45 1.029 4.388 -9.933 1.00 34.44 C ATOM 666 C LEU A 45 0.477 3.377 -10.933 1.00 54.43 C ATOM 667 O LEU A 45 0.427 2.179 -10.657 1.00 74.13 O ATOM 668 CB LEU A 45 -0.105 4.930 -9.060 1.00 22.30 C ATOM 669 CG LEU A 45 -1.131 3.903 -8.579 1.00 10.43 C ATOM 670 CD1 LEU A 45 -1.640 4.267 -7.193 1.00 11.15 C ATOM 671 CD2 LEU A 45 -2.287 3.802 -9.564 1.00 4.43 C ATOM 0 H LEU A 45 1.140 6.324 -10.732 1.00 24.41 H new ATOM 0 HA LEU A 45 1.758 3.883 -9.299 1.00 34.44 H new ATOM 0 HB2 LEU A 45 0.334 5.412 -8.186 1.00 22.30 H new ATOM 0 HB3 LEU A 45 -0.630 5.704 -9.620 1.00 22.30 H new ATOM 0 HG LEU A 45 -0.643 2.930 -8.521 1.00 10.43 H new ATOM 0 HD11 LEU A 45 -2.369 3.525 -6.867 1.00 11.15 H new ATOM 0 HD12 LEU A 45 -0.805 4.288 -6.493 1.00 11.15 H new ATOM 0 HD13 LEU A 45 -2.111 5.249 -7.225 1.00 11.15 H new ATOM 0 HD21 LEU A 45 -3.007 3.067 -9.206 1.00 4.43 H new ATOM 0 HD22 LEU A 45 -2.774 4.773 -9.654 1.00 4.43 H new ATOM 0 HD23 LEU A 45 -1.909 3.494 -10.539 1.00 4.43 H new ATOM 683 N SER A 46 0.065 3.870 -12.097 1.00 61.34 N ATOM 684 CA SER A 46 -0.485 3.010 -13.139 1.00 43.43 C ATOM 685 C SER A 46 0.627 2.260 -13.867 1.00 54.13 C ATOM 686 O SER A 46 0.393 1.210 -14.464 1.00 34.43 O ATOM 687 CB SER A 46 -1.295 3.839 -14.138 1.00 34.30 C ATOM 688 OG SER A 46 -0.947 5.210 -14.064 1.00 40.34 O ATOM 0 H SER A 46 0.102 4.859 -12.342 1.00 61.34 H new ATOM 0 HA SER A 46 -1.142 2.281 -12.665 1.00 43.43 H new ATOM 0 HB2 SER A 46 -1.119 3.470 -15.148 1.00 34.30 H new ATOM 0 HB3 SER A 46 -2.359 3.719 -13.936 1.00 34.30 H new ATOM 0 HG SER A 46 -1.477 5.718 -14.713 1.00 40.34 H new ATOM 694 N GLU A 47 1.836 2.809 -13.813 1.00 23.41 N ATOM 695 CA GLU A 47 2.984 2.192 -14.468 1.00 20.22 C ATOM 696 C GLU A 47 3.634 1.151 -13.560 1.00 51.33 C ATOM 697 O GLU A 47 4.282 0.217 -14.033 1.00 34.14 O ATOM 698 CB GLU A 47 4.011 3.258 -14.857 1.00 73.50 C ATOM 699 CG GLU A 47 3.690 3.963 -16.164 1.00 10.10 C ATOM 700 CD GLU A 47 4.204 5.389 -16.199 1.00 2.14 C ATOM 701 OE1 GLU A 47 5.341 5.620 -15.736 1.00 42.52 O ATOM 702 OE2 GLU A 47 3.470 6.273 -16.687 1.00 44.42 O ATOM 0 H GLU A 47 2.046 3.679 -13.323 1.00 23.41 H new ATOM 0 HA GLU A 47 2.630 1.692 -15.370 1.00 20.22 H new ATOM 0 HB2 GLU A 47 4.073 3.999 -14.060 1.00 73.50 H new ATOM 0 HB3 GLU A 47 4.993 2.792 -14.937 1.00 73.50 H new ATOM 0 HG2 GLU A 47 4.126 3.403 -16.991 1.00 10.10 H new ATOM 0 HG3 GLU A 47 2.611 3.966 -16.315 1.00 10.10 H new ATOM 709 N VAL A 48 3.456 1.321 -12.254 1.00 25.42 N ATOM 710 CA VAL A 48 4.024 0.397 -11.279 1.00 64.11 C ATOM 711 C VAL A 48 3.028 -0.698 -10.914 1.00 1.32 C ATOM 712 O VAL A 48 3.413 -1.831 -10.625 1.00 15.02 O ATOM 713 CB VAL A 48 4.457 1.131 -9.996 1.00 62.11 C ATOM 714 CG1 VAL A 48 5.490 2.201 -10.315 1.00 64.44 C ATOM 715 CG2 VAL A 48 3.250 1.736 -9.296 1.00 51.20 C ATOM 0 H VAL A 48 2.923 2.090 -11.847 1.00 25.42 H new ATOM 0 HA VAL A 48 4.901 -0.054 -11.744 1.00 64.11 H new ATOM 0 HB VAL A 48 4.915 0.408 -9.322 1.00 62.11 H new ATOM 0 HG11 VAL A 48 5.784 2.709 -9.396 1.00 64.44 H new ATOM 0 HG12 VAL A 48 6.366 1.737 -10.769 1.00 64.44 H new ATOM 0 HG13 VAL A 48 5.062 2.925 -11.008 1.00 64.44 H new ATOM 0 HG21 VAL A 48 3.574 2.251 -8.392 1.00 51.20 H new ATOM 0 HG22 VAL A 48 2.761 2.447 -9.963 1.00 51.20 H new ATOM 0 HG23 VAL A 48 2.548 0.945 -9.032 1.00 51.20 H new ATOM 725 N VAL A 49 1.745 -0.351 -10.929 1.00 72.41 N ATOM 726 CA VAL A 49 0.692 -1.305 -10.601 1.00 53.20 C ATOM 727 C VAL A 49 0.691 -2.479 -11.573 1.00 63.21 C ATOM 728 O VAL A 49 0.237 -3.574 -11.240 1.00 2.01 O ATOM 729 CB VAL A 49 -0.696 -0.637 -10.620 1.00 10.33 C ATOM 730 CG1 VAL A 49 -1.073 -0.228 -12.035 1.00 41.44 C ATOM 731 CG2 VAL A 49 -1.743 -1.568 -10.028 1.00 73.24 C ATOM 0 H VAL A 49 1.410 0.583 -11.165 1.00 72.41 H new ATOM 0 HA VAL A 49 0.898 -1.670 -9.595 1.00 53.20 H new ATOM 0 HB VAL A 49 -0.655 0.263 -10.007 1.00 10.33 H new ATOM 0 HG11 VAL A 49 -2.056 0.242 -12.028 1.00 41.44 H new ATOM 0 HG12 VAL A 49 -0.336 0.478 -12.418 1.00 41.44 H new ATOM 0 HG13 VAL A 49 -1.097 -1.110 -12.675 1.00 41.44 H new ATOM 0 HG21 VAL A 49 -2.717 -1.080 -10.049 1.00 73.24 H new ATOM 0 HG22 VAL A 49 -1.785 -2.487 -10.612 1.00 73.24 H new ATOM 0 HG23 VAL A 49 -1.478 -1.805 -8.997 1.00 73.24 H new ATOM 741 N ASP A 50 1.203 -2.244 -12.776 1.00 64.31 N ATOM 742 CA ASP A 50 1.264 -3.283 -13.797 1.00 60.45 C ATOM 743 C ASP A 50 2.082 -4.476 -13.312 1.00 1.13 C ATOM 744 O ASP A 50 1.883 -5.603 -13.764 1.00 60.42 O ATOM 745 CB ASP A 50 1.868 -2.726 -15.087 1.00 64.02 C ATOM 746 CG ASP A 50 1.245 -3.333 -16.328 1.00 72.35 C ATOM 747 OD1 ASP A 50 0.155 -2.875 -16.730 1.00 54.33 O ATOM 748 OD2 ASP A 50 1.847 -4.267 -16.899 1.00 2.54 O ATOM 0 H ASP A 50 1.582 -1.343 -13.068 1.00 64.31 H new ATOM 0 HA ASP A 50 0.247 -3.620 -13.997 1.00 60.45 H new ATOM 0 HB2 ASP A 50 1.735 -1.644 -15.109 1.00 64.02 H new ATOM 0 HB3 ASP A 50 2.941 -2.915 -15.093 1.00 64.02 H new ATOM 753 N ARG A 51 3.003 -4.219 -12.389 1.00 2.51 N ATOM 754 CA ARG A 51 3.853 -5.270 -11.844 1.00 21.24 C ATOM 755 C ARG A 51 3.498 -5.556 -10.387 1.00 52.24 C ATOM 756 O ARG A 51 3.493 -6.708 -9.953 1.00 3.20 O ATOM 757 CB ARG A 51 5.326 -4.872 -11.952 1.00 22.23 C ATOM 758 CG ARG A 51 5.820 -4.748 -13.384 1.00 21.42 C ATOM 759 CD ARG A 51 7.151 -5.457 -13.577 1.00 64.42 C ATOM 760 NE ARG A 51 6.994 -6.908 -13.646 1.00 3.35 N ATOM 761 CZ ARG A 51 8.006 -7.762 -13.545 1.00 25.11 C ATOM 762 NH1 ARG A 51 9.242 -7.314 -13.372 1.00 2.30 N ATOM 763 NH2 ARG A 51 7.783 -9.068 -13.617 1.00 24.22 N ATOM 0 H ARG A 51 3.179 -3.291 -12.003 1.00 2.51 H new ATOM 0 HA ARG A 51 3.685 -6.176 -12.426 1.00 21.24 H new ATOM 0 HB2 ARG A 51 5.475 -3.920 -11.442 1.00 22.23 H new ATOM 0 HB3 ARG A 51 5.933 -5.612 -11.430 1.00 22.23 H new ATOM 0 HG2 ARG A 51 5.080 -5.170 -14.063 1.00 21.42 H new ATOM 0 HG3 ARG A 51 5.927 -3.695 -13.643 1.00 21.42 H new ATOM 0 HD2 ARG A 51 7.623 -5.100 -14.492 1.00 64.42 H new ATOM 0 HD3 ARG A 51 7.819 -5.203 -12.754 1.00 64.42 H new ATOM 0 HE ARG A 51 6.056 -7.286 -13.779 1.00 3.35 H new ATOM 0 HH11 ARG A 51 9.418 -6.311 -13.316 1.00 2.30 H new ATOM 0 HH12 ARG A 51 10.017 -7.973 -13.295 1.00 2.30 H new ATOM 0 HH21 ARG A 51 6.834 -9.417 -13.750 1.00 24.22 H new ATOM 0 HH22 ARG A 51 8.561 -9.723 -13.539 1.00 24.22 H new ATOM 777 N PHE A 52 3.201 -4.499 -9.638 1.00 21.31 N ATOM 778 CA PHE A 52 2.846 -4.636 -8.230 1.00 61.01 C ATOM 779 C PHE A 52 1.647 -5.565 -8.059 1.00 45.42 C ATOM 780 O PHE A 52 1.100 -6.076 -9.036 1.00 65.04 O ATOM 781 CB PHE A 52 2.534 -3.266 -7.626 1.00 2.55 C ATOM 782 CG PHE A 52 3.722 -2.610 -6.981 1.00 30.43 C ATOM 783 CD1 PHE A 52 4.239 -3.099 -5.792 1.00 31.32 C ATOM 784 CD2 PHE A 52 4.321 -1.505 -7.563 1.00 62.12 C ATOM 785 CE1 PHE A 52 5.332 -2.499 -5.196 1.00 1.01 C ATOM 786 CE2 PHE A 52 5.415 -0.901 -6.972 1.00 72.02 C ATOM 787 CZ PHE A 52 5.920 -1.398 -5.787 1.00 1.35 C ATOM 0 H PHE A 52 3.199 -3.539 -9.982 1.00 21.31 H new ATOM 0 HA PHE A 52 3.698 -5.071 -7.707 1.00 61.01 H new ATOM 0 HB2 PHE A 52 2.148 -2.612 -8.408 1.00 2.55 H new ATOM 0 HB3 PHE A 52 1.743 -3.376 -6.884 1.00 2.55 H new ATOM 0 HD1 PHE A 52 3.782 -3.959 -5.325 1.00 31.32 H new ATOM 0 HD2 PHE A 52 3.929 -1.111 -8.489 1.00 62.12 H new ATOM 0 HE1 PHE A 52 5.726 -2.890 -4.270 1.00 1.01 H new ATOM 0 HE2 PHE A 52 5.874 -0.041 -7.437 1.00 72.02 H new ATOM 0 HZ PHE A 52 6.774 -0.926 -5.323 1.00 1.35 H new ATOM 797 N ASP A 53 1.245 -5.778 -6.811 1.00 44.12 N ATOM 798 CA ASP A 53 0.111 -6.644 -6.511 1.00 25.33 C ATOM 799 C ASP A 53 -0.985 -5.872 -5.785 1.00 13.43 C ATOM 800 O ASP A 53 -2.124 -5.805 -6.249 1.00 45.30 O ATOM 801 CB ASP A 53 0.562 -7.834 -5.662 1.00 2.15 C ATOM 802 CG ASP A 53 1.298 -8.880 -6.475 1.00 61.21 C ATOM 803 OD1 ASP A 53 0.629 -9.654 -7.191 1.00 73.42 O ATOM 804 OD2 ASP A 53 2.543 -8.925 -6.396 1.00 44.54 O ATOM 0 H ASP A 53 1.687 -5.363 -5.991 1.00 44.12 H new ATOM 0 HA ASP A 53 -0.293 -7.012 -7.454 1.00 25.33 H new ATOM 0 HB2 ASP A 53 1.210 -7.480 -4.860 1.00 2.15 H new ATOM 0 HB3 ASP A 53 -0.308 -8.291 -5.191 1.00 2.15 H new ATOM 809 N VAL A 54 -0.635 -5.290 -4.642 1.00 32.12 N ATOM 810 CA VAL A 54 -1.590 -4.522 -3.851 1.00 65.01 C ATOM 811 C VAL A 54 -1.208 -3.046 -3.811 1.00 75.42 C ATOM 812 O VAL A 54 -0.029 -2.697 -3.866 1.00 54.25 O ATOM 813 CB VAL A 54 -1.682 -5.056 -2.409 1.00 74.14 C ATOM 814 CG1 VAL A 54 -2.352 -6.422 -2.388 1.00 2.21 C ATOM 815 CG2 VAL A 54 -0.301 -5.120 -1.775 1.00 71.24 C ATOM 0 H VAL A 54 0.303 -5.336 -4.243 1.00 32.12 H new ATOM 0 HA VAL A 54 -2.561 -4.631 -4.334 1.00 65.01 H new ATOM 0 HB VAL A 54 -2.293 -4.369 -1.824 1.00 74.14 H new ATOM 0 HG11 VAL A 54 -2.408 -6.784 -1.361 1.00 2.21 H new ATOM 0 HG12 VAL A 54 -3.358 -6.340 -2.800 1.00 2.21 H new ATOM 0 HG13 VAL A 54 -1.770 -7.122 -2.988 1.00 2.21 H new ATOM 0 HG21 VAL A 54 -0.385 -5.499 -0.757 1.00 71.24 H new ATOM 0 HG22 VAL A 54 0.337 -5.784 -2.358 1.00 71.24 H new ATOM 0 HG23 VAL A 54 0.137 -4.122 -1.755 1.00 71.24 H new ATOM 825 N VAL A 55 -2.215 -2.183 -3.714 1.00 62.33 N ATOM 826 CA VAL A 55 -1.986 -0.744 -3.665 1.00 62.32 C ATOM 827 C VAL A 55 -2.604 -0.132 -2.413 1.00 41.24 C ATOM 828 O VAL A 55 -3.660 -0.567 -1.952 1.00 61.23 O ATOM 829 CB VAL A 55 -2.565 -0.041 -4.907 1.00 61.01 C ATOM 830 CG1 VAL A 55 -2.313 1.457 -4.839 1.00 2.54 C ATOM 831 CG2 VAL A 55 -1.973 -0.632 -6.178 1.00 13.01 C ATOM 0 H VAL A 55 -3.197 -2.456 -3.668 1.00 62.33 H new ATOM 0 HA VAL A 55 -0.906 -0.595 -3.643 1.00 62.32 H new ATOM 0 HB VAL A 55 -3.643 -0.203 -4.925 1.00 61.01 H new ATOM 0 HG11 VAL A 55 -2.729 1.937 -5.725 1.00 2.54 H new ATOM 0 HG12 VAL A 55 -2.789 1.866 -3.948 1.00 2.54 H new ATOM 0 HG13 VAL A 55 -1.240 1.644 -4.796 1.00 2.54 H new ATOM 0 HG21 VAL A 55 -2.393 -0.124 -7.046 1.00 13.01 H new ATOM 0 HG22 VAL A 55 -0.891 -0.502 -6.170 1.00 13.01 H new ATOM 0 HG23 VAL A 55 -2.210 -1.695 -6.230 1.00 13.01 H new ATOM 841 N LEU A 56 -1.940 0.881 -1.867 1.00 61.14 N ATOM 842 CA LEU A 56 -2.424 1.555 -0.668 1.00 12.22 C ATOM 843 C LEU A 56 -2.390 3.070 -0.843 1.00 75.04 C ATOM 844 O LEU A 56 -1.393 3.631 -1.298 1.00 5.10 O ATOM 845 CB LEU A 56 -1.581 1.152 0.543 1.00 32.13 C ATOM 846 CG LEU A 56 -1.967 -0.163 1.222 1.00 14.42 C ATOM 847 CD1 LEU A 56 -0.791 -1.126 1.229 1.00 4.21 C ATOM 848 CD2 LEU A 56 -2.458 0.093 2.640 1.00 41.32 C ATOM 0 H LEU A 56 -1.065 1.253 -2.236 1.00 61.14 H new ATOM 0 HA LEU A 56 -3.457 1.250 -0.502 1.00 12.22 H new ATOM 0 HB2 LEU A 56 -0.539 1.083 0.229 1.00 32.13 H new ATOM 0 HB3 LEU A 56 -1.639 1.950 1.283 1.00 32.13 H new ATOM 0 HG LEU A 56 -2.779 -0.618 0.654 1.00 14.42 H new ATOM 0 HD11 LEU A 56 -1.085 -2.056 1.716 1.00 4.21 H new ATOM 0 HD12 LEU A 56 -0.485 -1.334 0.204 1.00 4.21 H new ATOM 0 HD13 LEU A 56 0.042 -0.679 1.772 1.00 4.21 H new ATOM 0 HD21 LEU A 56 -2.728 -0.854 3.108 1.00 41.32 H new ATOM 0 HD22 LEU A 56 -1.667 0.571 3.218 1.00 41.32 H new ATOM 0 HD23 LEU A 56 -3.331 0.745 2.611 1.00 41.32 H new ATOM 860 N LEU A 57 -3.486 3.727 -0.479 1.00 2.04 N ATOM 861 CA LEU A 57 -3.582 5.178 -0.593 1.00 45.24 C ATOM 862 C LEU A 57 -3.561 5.836 0.783 1.00 74.23 C ATOM 863 O LEU A 57 -4.236 5.384 1.707 1.00 23.35 O ATOM 864 CB LEU A 57 -4.859 5.567 -1.339 1.00 14.43 C ATOM 865 CG LEU A 57 -5.288 7.030 -1.218 1.00 45.42 C ATOM 866 CD1 LEU A 57 -4.243 7.945 -1.838 1.00 44.02 C ATOM 867 CD2 LEU A 57 -6.644 7.245 -1.874 1.00 63.04 C ATOM 0 H LEU A 57 -4.321 3.278 -0.102 1.00 2.04 H new ATOM 0 HA LEU A 57 -2.718 5.531 -1.156 1.00 45.24 H new ATOM 0 HB2 LEU A 57 -4.724 5.335 -2.395 1.00 14.43 H new ATOM 0 HB3 LEU A 57 -5.673 4.939 -0.977 1.00 14.43 H new ATOM 0 HG LEU A 57 -5.376 7.276 -0.160 1.00 45.42 H new ATOM 0 HD11 LEU A 57 -4.565 8.982 -1.743 1.00 44.02 H new ATOM 0 HD12 LEU A 57 -3.291 7.812 -1.323 1.00 44.02 H new ATOM 0 HD13 LEU A 57 -4.123 7.698 -2.893 1.00 44.02 H new ATOM 0 HD21 LEU A 57 -6.933 8.292 -1.778 1.00 63.04 H new ATOM 0 HD22 LEU A 57 -6.583 6.981 -2.930 1.00 63.04 H new ATOM 0 HD23 LEU A 57 -7.389 6.617 -1.385 1.00 63.04 H new ATOM 879 N ALA A 58 -2.785 6.907 0.910 1.00 60.14 N ATOM 880 CA ALA A 58 -2.681 7.630 2.171 1.00 25.52 C ATOM 881 C ALA A 58 -3.867 8.567 2.367 1.00 51.13 C ATOM 882 O ALA A 58 -4.565 8.930 1.420 1.00 73.33 O ATOM 883 CB ALA A 58 -1.375 8.409 2.227 1.00 61.25 C ATOM 0 H ALA A 58 -2.219 7.293 0.155 1.00 60.14 H new ATOM 0 HA ALA A 58 -2.691 6.900 2.981 1.00 25.52 H new ATOM 0 HB1 ALA A 58 -1.311 8.944 3.174 1.00 61.25 H new ATOM 0 HB2 ALA A 58 -0.536 7.719 2.143 1.00 61.25 H new ATOM 0 HB3 ALA A 58 -1.342 9.123 1.404 1.00 61.25 H new ATOM 889 N PRO A 59 -4.103 8.970 3.624 1.00 32.22 N ATOM 890 CA PRO A 59 -5.206 9.871 3.973 1.00 21.51 C ATOM 891 C PRO A 59 -4.982 11.288 3.457 1.00 30.11 C ATOM 892 O PRO A 59 -3.964 11.575 2.827 1.00 34.43 O ATOM 893 CB PRO A 59 -5.208 9.853 5.504 1.00 63.33 C ATOM 894 CG PRO A 59 -3.810 9.499 5.880 1.00 12.50 C ATOM 895 CD PRO A 59 -3.312 8.577 4.802 1.00 5.31 C ATOM 0 HA PRO A 59 -6.149 9.553 3.528 1.00 21.51 H new ATOM 0 HB2 PRO A 59 -5.494 10.823 5.911 1.00 63.33 H new ATOM 0 HB3 PRO A 59 -5.919 9.123 5.891 1.00 63.33 H new ATOM 0 HG2 PRO A 59 -3.187 10.391 5.949 1.00 12.50 H new ATOM 0 HG3 PRO A 59 -3.779 9.012 6.855 1.00 12.50 H new ATOM 0 HD2 PRO A 59 -2.243 8.702 4.628 1.00 5.31 H new ATOM 0 HD3 PRO A 59 -3.472 7.531 5.063 1.00 5.31 H new ATOM 903 N GLN A 60 -5.939 12.170 3.729 1.00 63.41 N ATOM 904 CA GLN A 60 -5.845 13.557 3.291 1.00 4.31 C ATOM 905 C GLN A 60 -5.751 13.644 1.771 1.00 34.53 C ATOM 906 O GLN A 60 -4.658 13.679 1.208 1.00 44.32 O ATOM 907 CB GLN A 60 -4.629 14.234 3.928 1.00 73.32 C ATOM 908 CG GLN A 60 -4.947 14.957 5.227 1.00 44.25 C ATOM 909 CD GLN A 60 -4.836 16.464 5.098 1.00 62.45 C ATOM 910 OE1 GLN A 60 -3.736 17.014 5.042 1.00 41.34 O ATOM 911 NE2 GLN A 60 -5.978 17.139 5.049 1.00 1.53 N ATOM 0 H GLN A 60 -6.787 11.948 4.250 1.00 63.41 H new ATOM 0 HA GLN A 60 -6.750 14.074 3.611 1.00 4.31 H new ATOM 0 HB2 GLN A 60 -3.863 13.482 4.118 1.00 73.32 H new ATOM 0 HB3 GLN A 60 -4.207 14.946 3.219 1.00 73.32 H new ATOM 0 HG2 GLN A 60 -5.956 14.697 5.546 1.00 44.25 H new ATOM 0 HG3 GLN A 60 -4.268 14.612 6.006 1.00 44.25 H new ATOM 0 HE21 GLN A 60 -6.867 16.641 5.099 1.00 1.53 H new ATOM 0 HE22 GLN A 60 -5.966 18.155 4.962 1.00 1.53 H new ATOM 920 N SER A 61 -6.906 13.676 1.113 1.00 2.24 N ATOM 921 CA SER A 61 -6.954 13.754 -0.342 1.00 33.01 C ATOM 922 C SER A 61 -8.266 14.378 -0.809 1.00 43.32 C ATOM 923 O SER A 61 -9.346 13.970 -0.384 1.00 74.22 O ATOM 924 CB SER A 61 -6.793 12.361 -0.954 1.00 1.11 C ATOM 925 OG SER A 61 -5.678 11.686 -0.398 1.00 44.24 O ATOM 0 H SER A 61 -7.820 13.649 1.565 1.00 2.24 H new ATOM 0 HA SER A 61 -6.131 14.387 -0.675 1.00 33.01 H new ATOM 0 HB2 SER A 61 -7.698 11.778 -0.782 1.00 1.11 H new ATOM 0 HB3 SER A 61 -6.669 12.447 -2.034 1.00 1.11 H new ATOM 0 HG SER A 61 -5.597 10.798 -0.804 1.00 44.24 H new ATOM 931 N ARG A 62 -8.161 15.371 -1.687 1.00 34.03 N ATOM 932 CA ARG A 62 -9.338 16.053 -2.211 1.00 50.55 C ATOM 933 C ARG A 62 -9.828 15.385 -3.493 1.00 44.40 C ATOM 934 O ARG A 62 -10.965 14.921 -3.568 1.00 14.10 O ATOM 935 CB ARG A 62 -9.022 17.526 -2.480 1.00 14.11 C ATOM 936 CG ARG A 62 -10.258 18.384 -2.696 1.00 11.31 C ATOM 937 CD ARG A 62 -9.892 19.846 -2.902 1.00 72.23 C ATOM 938 NE ARG A 62 -10.748 20.739 -2.126 1.00 40.11 N ATOM 939 CZ ARG A 62 -10.416 21.987 -1.813 1.00 60.33 C ATOM 940 NH1 ARG A 62 -9.253 22.486 -2.209 1.00 31.22 N ATOM 941 NH2 ARG A 62 -11.248 22.738 -1.104 1.00 33.03 N ATOM 0 H ARG A 62 -7.274 15.720 -2.050 1.00 34.03 H new ATOM 0 HA ARG A 62 -10.128 15.988 -1.463 1.00 50.55 H new ATOM 0 HB2 ARG A 62 -8.454 17.926 -1.640 1.00 14.11 H new ATOM 0 HB3 ARG A 62 -8.382 17.597 -3.360 1.00 14.11 H new ATOM 0 HG2 ARG A 62 -10.808 18.020 -3.564 1.00 11.31 H new ATOM 0 HG3 ARG A 62 -10.921 18.291 -1.836 1.00 11.31 H new ATOM 0 HD2 ARG A 62 -8.852 20.003 -2.617 1.00 72.23 H new ATOM 0 HD3 ARG A 62 -9.974 20.095 -3.960 1.00 72.23 H new ATOM 0 HE ARG A 62 -11.650 20.386 -1.807 1.00 40.11 H new ATOM 0 HH11 ARG A 62 -8.611 21.912 -2.755 1.00 31.22 H new ATOM 0 HH12 ARG A 62 -9.000 23.444 -1.967 1.00 31.22 H new ATOM 0 HH21 ARG A 62 -12.144 22.358 -0.798 1.00 33.03 H new ATOM 0 HH22 ARG A 62 -10.992 23.696 -0.864 1.00 33.03 H new ATOM 955 N PHE A 63 -8.961 15.341 -4.499 1.00 42.04 N ATOM 956 CA PHE A 63 -9.305 14.731 -5.779 1.00 11.44 C ATOM 957 C PHE A 63 -8.491 13.462 -6.013 1.00 43.50 C ATOM 958 O PHE A 63 -8.919 12.562 -6.734 1.00 5.11 O ATOM 959 CB PHE A 63 -9.067 15.722 -6.920 1.00 71.12 C ATOM 960 CG PHE A 63 -10.144 16.761 -7.047 1.00 12.14 C ATOM 961 CD1 PHE A 63 -11.470 16.389 -7.202 1.00 23.24 C ATOM 962 CD2 PHE A 63 -9.831 18.110 -7.011 1.00 1.32 C ATOM 963 CE1 PHE A 63 -12.463 17.343 -7.318 1.00 34.52 C ATOM 964 CE2 PHE A 63 -10.820 19.068 -7.126 1.00 53.50 C ATOM 965 CZ PHE A 63 -12.138 18.684 -7.281 1.00 1.20 C ATOM 0 H PHE A 63 -8.015 15.720 -4.453 1.00 42.04 H new ATOM 0 HA PHE A 63 -10.361 14.464 -5.754 1.00 11.44 H new ATOM 0 HB2 PHE A 63 -8.110 16.220 -6.764 1.00 71.12 H new ATOM 0 HB3 PHE A 63 -8.991 15.172 -7.858 1.00 71.12 H new ATOM 0 HD1 PHE A 63 -11.730 15.341 -7.232 1.00 23.24 H new ATOM 0 HD2 PHE A 63 -8.802 18.416 -6.892 1.00 1.32 H new ATOM 0 HE1 PHE A 63 -13.493 17.040 -7.438 1.00 34.52 H new ATOM 0 HE2 PHE A 63 -10.563 20.116 -7.095 1.00 53.50 H new ATOM 0 HZ PHE A 63 -12.912 19.431 -7.373 1.00 1.20 H new ATOM 975 N ASN A 64 -7.314 13.400 -5.399 1.00 22.14 N ATOM 976 CA ASN A 64 -6.438 12.242 -5.541 1.00 0.53 C ATOM 977 C ASN A 64 -7.189 10.951 -5.230 1.00 65.04 C ATOM 978 O ASN A 64 -7.218 10.026 -6.042 1.00 63.04 O ATOM 979 CB ASN A 64 -5.227 12.377 -4.615 1.00 62.45 C ATOM 980 CG ASN A 64 -4.060 13.073 -5.288 1.00 65.33 C ATOM 981 OD1 ASN A 64 -3.781 12.844 -6.465 1.00 65.33 O ATOM 982 ND2 ASN A 64 -3.371 13.928 -4.542 1.00 2.04 N ATOM 0 H ASN A 64 -6.945 14.137 -4.799 1.00 22.14 H new ATOM 0 HA ASN A 64 -6.094 12.201 -6.575 1.00 0.53 H new ATOM 0 HB2 ASN A 64 -5.515 12.935 -3.724 1.00 62.45 H new ATOM 0 HB3 ASN A 64 -4.914 11.387 -4.284 1.00 62.45 H new ATOM 0 HD21 ASN A 64 -2.575 14.426 -4.940 1.00 2.04 H new ATOM 0 HD22 ASN A 64 -3.638 14.087 -3.570 1.00 2.04 H new ATOM 989 N LYS A 65 -7.795 10.895 -4.050 1.00 15.03 N ATOM 990 CA LYS A 65 -8.548 9.719 -3.631 1.00 34.21 C ATOM 991 C LYS A 65 -9.742 9.481 -4.551 1.00 23.33 C ATOM 992 O LYS A 65 -10.124 8.339 -4.806 1.00 62.44 O ATOM 993 CB LYS A 65 -9.029 9.883 -2.187 1.00 64.41 C ATOM 994 CG LYS A 65 -9.938 11.082 -1.981 1.00 25.22 C ATOM 995 CD LYS A 65 -10.471 11.139 -0.559 1.00 44.40 C ATOM 996 CE LYS A 65 -11.850 11.779 -0.506 1.00 45.23 C ATOM 997 NZ LYS A 65 -11.920 12.861 0.514 1.00 12.41 N ATOM 0 H LYS A 65 -7.780 11.651 -3.366 1.00 15.03 H new ATOM 0 HA LYS A 65 -7.886 8.855 -3.691 1.00 34.21 H new ATOM 0 HB2 LYS A 65 -9.559 8.980 -1.885 1.00 64.41 H new ATOM 0 HB3 LYS A 65 -8.162 9.978 -1.533 1.00 64.41 H new ATOM 0 HG2 LYS A 65 -9.390 11.998 -2.202 1.00 25.22 H new ATOM 0 HG3 LYS A 65 -10.772 11.033 -2.681 1.00 25.22 H new ATOM 0 HD2 LYS A 65 -10.520 10.131 -0.147 1.00 44.40 H new ATOM 0 HD3 LYS A 65 -9.781 11.706 0.067 1.00 44.40 H new ATOM 0 HE2 LYS A 65 -12.099 12.187 -1.486 1.00 45.23 H new ATOM 0 HE3 LYS A 65 -12.596 11.017 -0.279 1.00 45.23 H new ATOM 0 HZ1 LYS A 65 -12.771 13.436 0.352 1.00 12.41 H new ATOM 0 HZ2 LYS A 65 -11.961 12.440 1.464 1.00 12.41 H new ATOM 0 HZ3 LYS A 65 -11.076 13.464 0.439 1.00 12.41 H new ATOM 1011 N LYS A 66 -10.326 10.566 -5.047 1.00 32.11 N ATOM 1012 CA LYS A 66 -11.475 10.476 -5.941 1.00 4.11 C ATOM 1013 C LYS A 66 -11.118 9.708 -7.210 1.00 4.05 C ATOM 1014 O LYS A 66 -11.745 8.699 -7.533 1.00 2.14 O ATOM 1015 CB LYS A 66 -11.975 11.876 -6.303 1.00 54.04 C ATOM 1016 CG LYS A 66 -13.390 12.158 -5.829 1.00 35.52 C ATOM 1017 CD LYS A 66 -14.418 11.775 -6.881 1.00 30.33 C ATOM 1018 CE LYS A 66 -15.777 12.388 -6.581 1.00 53.13 C ATOM 1019 NZ LYS A 66 -15.787 13.858 -6.818 1.00 4.33 N ATOM 0 H LYS A 66 -10.023 11.519 -4.845 1.00 32.11 H new ATOM 0 HA LYS A 66 -12.267 9.936 -5.422 1.00 4.11 H new ATOM 0 HB2 LYS A 66 -11.302 12.616 -5.871 1.00 54.04 H new ATOM 0 HB3 LYS A 66 -11.932 12.000 -7.385 1.00 54.04 H new ATOM 0 HG2 LYS A 66 -13.584 11.604 -4.911 1.00 35.52 H new ATOM 0 HG3 LYS A 66 -13.490 13.217 -5.590 1.00 35.52 H new ATOM 0 HD2 LYS A 66 -14.077 12.106 -7.862 1.00 30.33 H new ATOM 0 HD3 LYS A 66 -14.509 10.690 -6.924 1.00 30.33 H new ATOM 0 HE2 LYS A 66 -16.535 11.914 -7.205 1.00 53.13 H new ATOM 0 HE3 LYS A 66 -16.046 12.185 -5.544 1.00 53.13 H new ATOM 0 HZ1 LYS A 66 -16.770 14.195 -6.869 1.00 4.33 H new ATOM 0 HZ2 LYS A 66 -15.296 14.339 -6.037 1.00 4.33 H new ATOM 0 HZ3 LYS A 66 -15.302 14.069 -7.714 1.00 4.33 H new ATOM 1033 N ARG A 67 -10.106 10.191 -7.924 1.00 12.25 N ATOM 1034 CA ARG A 67 -9.666 9.549 -9.156 1.00 52.54 C ATOM 1035 C ARG A 67 -9.172 8.132 -8.885 1.00 32.50 C ATOM 1036 O ARG A 67 -9.540 7.189 -9.588 1.00 1.21 O ATOM 1037 CB ARG A 67 -8.556 10.370 -9.816 1.00 12.24 C ATOM 1038 CG ARG A 67 -8.988 11.056 -11.102 1.00 5.14 C ATOM 1039 CD ARG A 67 -9.430 12.488 -10.847 1.00 55.55 C ATOM 1040 NE ARG A 67 -10.422 12.936 -11.822 1.00 61.11 N ATOM 1041 CZ ARG A 67 -10.118 13.311 -13.060 1.00 15.34 C ATOM 1042 NH1 ARG A 67 -8.858 13.293 -13.471 1.00 73.24 N ATOM 1043 NH2 ARG A 67 -11.077 13.706 -13.888 1.00 63.13 N ATOM 0 H ARG A 67 -9.576 11.025 -7.670 1.00 12.25 H new ATOM 0 HA ARG A 67 -10.519 9.494 -9.832 1.00 52.54 H new ATOM 0 HB2 ARG A 67 -8.206 11.125 -9.112 1.00 12.24 H new ATOM 0 HB3 ARG A 67 -7.710 9.716 -10.029 1.00 12.24 H new ATOM 0 HG2 ARG A 67 -8.163 11.050 -11.814 1.00 5.14 H new ATOM 0 HG3 ARG A 67 -9.806 10.497 -11.557 1.00 5.14 H new ATOM 0 HD2 ARG A 67 -9.848 12.565 -9.843 1.00 55.55 H new ATOM 0 HD3 ARG A 67 -8.563 13.147 -10.883 1.00 55.55 H new ATOM 0 HE ARG A 67 -11.401 12.962 -11.537 1.00 61.11 H new ATOM 0 HH11 ARG A 67 -8.119 12.991 -12.836 1.00 73.24 H new ATOM 0 HH12 ARG A 67 -8.628 13.581 -14.422 1.00 73.24 H new ATOM 0 HH21 ARG A 67 -12.047 13.722 -13.574 1.00 63.13 H new ATOM 0 HH22 ARG A 67 -10.844 13.994 -14.838 1.00 63.13 H new ATOM 1057 N LEU A 68 -8.337 7.987 -7.862 1.00 51.30 N ATOM 1058 CA LEU A 68 -7.792 6.684 -7.497 1.00 42.33 C ATOM 1059 C LEU A 68 -8.903 5.650 -7.354 1.00 33.41 C ATOM 1060 O LEU A 68 -8.949 4.668 -8.095 1.00 13.23 O ATOM 1061 CB LEU A 68 -7.003 6.787 -6.191 1.00 14.15 C ATOM 1062 CG LEU A 68 -5.487 6.927 -6.331 1.00 31.44 C ATOM 1063 CD1 LEU A 68 -4.877 7.446 -5.038 1.00 52.41 C ATOM 1064 CD2 LEU A 68 -4.863 5.594 -6.719 1.00 44.52 C ATOM 0 H LEU A 68 -8.022 8.756 -7.270 1.00 51.30 H new ATOM 0 HA LEU A 68 -7.122 6.362 -8.294 1.00 42.33 H new ATOM 0 HB2 LEU A 68 -7.377 7.644 -5.631 1.00 14.15 H new ATOM 0 HB3 LEU A 68 -7.212 5.900 -5.593 1.00 14.15 H new ATOM 0 HG LEU A 68 -5.279 7.648 -7.122 1.00 31.44 H new ATOM 0 HD11 LEU A 68 -3.797 7.539 -5.157 1.00 52.41 H new ATOM 0 HD12 LEU A 68 -5.302 8.422 -4.801 1.00 52.41 H new ATOM 0 HD13 LEU A 68 -5.094 6.750 -4.228 1.00 52.41 H new ATOM 0 HD21 LEU A 68 -3.784 5.712 -6.814 1.00 44.52 H new ATOM 0 HD22 LEU A 68 -5.081 4.853 -5.950 1.00 44.52 H new ATOM 0 HD23 LEU A 68 -5.277 5.262 -7.671 1.00 44.52 H new ATOM 1076 N GLU A 69 -9.798 5.878 -6.397 1.00 42.14 N ATOM 1077 CA GLU A 69 -10.910 4.966 -6.159 1.00 21.33 C ATOM 1078 C GLU A 69 -11.782 4.833 -7.404 1.00 64.12 C ATOM 1079 O GLU A 69 -12.283 3.752 -7.710 1.00 74.20 O ATOM 1080 CB GLU A 69 -11.755 5.454 -4.981 1.00 15.03 C ATOM 1081 CG GLU A 69 -11.314 4.892 -3.640 1.00 23.20 C ATOM 1082 CD GLU A 69 -12.343 3.960 -3.030 1.00 52.32 C ATOM 1083 OE1 GLU A 69 -13.507 4.384 -2.871 1.00 70.23 O ATOM 1084 OE2 GLU A 69 -11.984 2.807 -2.712 1.00 52.13 O ATOM 0 H GLU A 69 -9.774 6.686 -5.775 1.00 42.14 H new ATOM 0 HA GLU A 69 -10.497 3.986 -5.920 1.00 21.33 H new ATOM 0 HB2 GLU A 69 -11.712 6.542 -4.941 1.00 15.03 H new ATOM 0 HB3 GLU A 69 -12.796 5.182 -5.155 1.00 15.03 H new ATOM 0 HG2 GLU A 69 -10.374 4.356 -3.767 1.00 23.20 H new ATOM 0 HG3 GLU A 69 -11.121 5.715 -2.951 1.00 23.20 H new ATOM 1091 N GLU A 70 -11.957 5.941 -8.118 1.00 22.24 N ATOM 1092 CA GLU A 70 -12.769 5.948 -9.329 1.00 1.23 C ATOM 1093 C GLU A 70 -12.148 5.064 -10.406 1.00 23.42 C ATOM 1094 O GLU A 70 -12.845 4.554 -11.283 1.00 70.42 O ATOM 1095 CB GLU A 70 -12.927 7.376 -9.855 1.00 0.43 C ATOM 1096 CG GLU A 70 -14.059 8.146 -9.195 1.00 40.14 C ATOM 1097 CD GLU A 70 -15.344 8.096 -9.999 1.00 32.45 C ATOM 1098 OE1 GLU A 70 -15.978 7.020 -10.038 1.00 43.34 O ATOM 1099 OE2 GLU A 70 -15.716 9.132 -10.587 1.00 53.41 O ATOM 0 H GLU A 70 -11.548 6.844 -7.879 1.00 22.24 H new ATOM 0 HA GLU A 70 -13.752 5.549 -9.079 1.00 1.23 H new ATOM 0 HB2 GLU A 70 -11.993 7.916 -9.701 1.00 0.43 H new ATOM 0 HB3 GLU A 70 -13.101 7.341 -10.930 1.00 0.43 H new ATOM 0 HG2 GLU A 70 -14.240 7.737 -8.201 1.00 40.14 H new ATOM 0 HG3 GLU A 70 -13.758 9.185 -9.062 1.00 40.14 H new ATOM 1106 N ILE A 71 -10.833 4.887 -10.332 1.00 42.33 N ATOM 1107 CA ILE A 71 -10.118 4.065 -11.300 1.00 24.40 C ATOM 1108 C ILE A 71 -9.985 2.627 -10.808 1.00 52.31 C ATOM 1109 O ILE A 71 -10.036 1.682 -11.596 1.00 33.02 O ATOM 1110 CB ILE A 71 -8.714 4.628 -11.589 1.00 64.21 C ATOM 1111 CG1 ILE A 71 -8.815 6.047 -12.152 1.00 75.11 C ATOM 1112 CG2 ILE A 71 -7.968 3.721 -12.556 1.00 61.44 C ATOM 1113 CD1 ILE A 71 -7.646 6.931 -11.778 1.00 70.54 C ATOM 0 H ILE A 71 -10.242 5.302 -9.612 1.00 42.33 H new ATOM 0 HA ILE A 71 -10.703 4.080 -12.220 1.00 24.40 H new ATOM 0 HB ILE A 71 -8.155 4.667 -10.654 1.00 64.21 H new ATOM 0 HG12 ILE A 71 -8.887 5.994 -13.238 1.00 75.11 H new ATOM 0 HG13 ILE A 71 -9.736 6.506 -11.794 1.00 75.11 H new ATOM 0 HG21 ILE A 71 -6.978 4.133 -12.750 1.00 61.44 H new ATOM 0 HG22 ILE A 71 -7.869 2.727 -12.120 1.00 61.44 H new ATOM 0 HG23 ILE A 71 -8.522 3.653 -13.492 1.00 61.44 H new ATOM 0 HD11 ILE A 71 -7.785 7.921 -12.212 1.00 70.54 H new ATOM 0 HD12 ILE A 71 -7.586 7.015 -10.693 1.00 70.54 H new ATOM 0 HD13 ILE A 71 -6.723 6.495 -12.160 1.00 70.54 H new ATOM 1125 N THR A 72 -9.816 2.469 -9.499 1.00 72.40 N ATOM 1126 CA THR A 72 -9.677 1.147 -8.901 1.00 32.10 C ATOM 1127 C THR A 72 -10.978 0.358 -9.002 1.00 2.20 C ATOM 1128 O THR A 72 -10.966 -0.857 -9.201 1.00 4.22 O ATOM 1129 CB THR A 72 -9.261 1.241 -7.421 1.00 23.10 C ATOM 1130 OG1 THR A 72 -10.314 1.832 -6.652 1.00 75.31 O ATOM 1131 CG2 THR A 72 -7.991 2.064 -7.267 1.00 41.44 C ATOM 0 H THR A 72 -9.772 3.240 -8.833 1.00 72.40 H new ATOM 0 HA THR A 72 -8.897 0.629 -9.458 1.00 32.10 H new ATOM 0 HB THR A 72 -9.068 0.232 -7.057 1.00 23.10 H new ATOM 0 HG1 THR A 72 -10.845 2.424 -7.225 1.00 75.31 H new ATOM 0 HG21 THR A 72 -7.717 2.116 -6.213 1.00 41.44 H new ATOM 0 HG22 THR A 72 -7.183 1.595 -7.829 1.00 41.44 H new ATOM 0 HG23 THR A 72 -8.162 3.071 -7.648 1.00 41.44 H new ATOM 1139 N LYS A 73 -12.100 1.056 -8.865 1.00 2.45 N ATOM 1140 CA LYS A 73 -13.410 0.422 -8.942 1.00 55.22 C ATOM 1141 C LYS A 73 -13.534 -0.417 -10.210 1.00 34.33 C ATOM 1142 O LYS A 73 -13.729 -1.632 -10.162 1.00 32.11 O ATOM 1143 CB LYS A 73 -14.515 1.481 -8.909 1.00 41.12 C ATOM 1144 CG LYS A 73 -15.392 1.407 -7.671 1.00 61.22 C ATOM 1145 CD LYS A 73 -15.001 2.459 -6.647 1.00 53.32 C ATOM 1146 CE LYS A 73 -13.969 1.926 -5.666 1.00 44.10 C ATOM 1147 NZ LYS A 73 -14.590 1.075 -4.614 1.00 75.45 N ATOM 0 H LYS A 73 -12.128 2.062 -8.700 1.00 2.45 H new ATOM 0 HA LYS A 73 -13.519 -0.235 -8.079 1.00 55.22 H new ATOM 0 HB2 LYS A 73 -14.060 2.470 -8.963 1.00 41.12 H new ATOM 0 HB3 LYS A 73 -15.141 1.369 -9.794 1.00 41.12 H new ATOM 0 HG2 LYS A 73 -16.436 1.544 -7.955 1.00 61.22 H new ATOM 0 HG3 LYS A 73 -15.310 0.416 -7.225 1.00 61.22 H new ATOM 0 HD2 LYS A 73 -14.600 3.334 -7.158 1.00 53.32 H new ATOM 0 HD3 LYS A 73 -15.887 2.785 -6.103 1.00 53.32 H new ATOM 0 HE2 LYS A 73 -13.220 1.347 -6.206 1.00 44.10 H new ATOM 0 HE3 LYS A 73 -13.449 2.761 -5.197 1.00 44.10 H new ATOM 0 HZ1 LYS A 73 -13.853 0.732 -3.966 1.00 75.45 H new ATOM 0 HZ2 LYS A 73 -15.287 1.634 -4.081 1.00 75.45 H new ATOM 0 HZ3 LYS A 73 -15.065 0.264 -5.059 1.00 75.45 H new ATOM 1161 N PRO A 74 -13.418 0.243 -11.372 1.00 22.35 N ATOM 1162 CA PRO A 74 -13.511 -0.424 -12.674 1.00 35.24 C ATOM 1163 C PRO A 74 -12.312 -1.324 -12.952 1.00 12.03 C ATOM 1164 O PRO A 74 -12.449 -2.393 -13.547 1.00 55.11 O ATOM 1165 CB PRO A 74 -13.548 0.740 -13.667 1.00 10.24 C ATOM 1166 CG PRO A 74 -12.863 1.860 -12.963 1.00 1.24 C ATOM 1167 CD PRO A 74 -13.185 1.691 -11.504 1.00 21.35 C ATOM 0 HA PRO A 74 -14.379 -1.081 -12.734 1.00 35.24 H new ATOM 0 HB2 PRO A 74 -13.037 0.485 -14.596 1.00 10.24 H new ATOM 0 HB3 PRO A 74 -14.572 1.005 -13.929 1.00 10.24 H new ATOM 0 HG2 PRO A 74 -11.787 1.827 -13.131 1.00 1.24 H new ATOM 0 HG3 PRO A 74 -13.213 2.824 -13.331 1.00 1.24 H new ATOM 0 HD2 PRO A 74 -12.364 2.025 -10.870 1.00 21.35 H new ATOM 0 HD3 PRO A 74 -14.065 2.267 -11.217 1.00 21.35 H new ATOM 1175 N LYS A 75 -11.136 -0.885 -12.517 1.00 22.32 N ATOM 1176 CA LYS A 75 -9.911 -1.651 -12.717 1.00 35.41 C ATOM 1177 C LYS A 75 -9.964 -2.971 -11.953 1.00 52.32 C ATOM 1178 O LYS A 75 -9.293 -3.936 -12.315 1.00 72.15 O ATOM 1179 CB LYS A 75 -8.697 -0.837 -12.266 1.00 64.21 C ATOM 1180 CG LYS A 75 -8.235 0.185 -13.291 1.00 20.52 C ATOM 1181 CD LYS A 75 -7.580 -0.483 -14.488 1.00 74.45 C ATOM 1182 CE LYS A 75 -7.217 0.530 -15.562 1.00 50.45 C ATOM 1183 NZ LYS A 75 -7.688 0.104 -16.909 1.00 40.54 N ATOM 0 H LYS A 75 -11.005 -0.002 -12.023 1.00 22.32 H new ATOM 0 HA LYS A 75 -9.819 -1.870 -13.781 1.00 35.41 H new ATOM 0 HB2 LYS A 75 -8.940 -0.322 -11.336 1.00 64.21 H new ATOM 0 HB3 LYS A 75 -7.874 -1.518 -12.048 1.00 64.21 H new ATOM 0 HG2 LYS A 75 -9.087 0.778 -13.625 1.00 20.52 H new ATOM 0 HG3 LYS A 75 -7.530 0.874 -12.827 1.00 20.52 H new ATOM 0 HD2 LYS A 75 -6.682 -1.010 -14.166 1.00 74.45 H new ATOM 0 HD3 LYS A 75 -8.256 -1.230 -14.904 1.00 74.45 H new ATOM 0 HE2 LYS A 75 -7.656 1.496 -15.313 1.00 50.45 H new ATOM 0 HE3 LYS A 75 -6.136 0.666 -15.582 1.00 50.45 H new ATOM 0 HZ1 LYS A 75 -7.421 0.821 -17.613 1.00 40.54 H new ATOM 0 HZ2 LYS A 75 -7.250 -0.806 -17.158 1.00 40.54 H new ATOM 0 HZ3 LYS A 75 -8.723 -0.002 -16.898 1.00 40.54 H new ATOM 1197 N GLY A 76 -10.768 -3.005 -10.894 1.00 41.04 N ATOM 1198 CA GLY A 76 -10.894 -4.211 -10.098 1.00 30.34 C ATOM 1199 C GLY A 76 -9.565 -4.679 -9.539 1.00 63.14 C ATOM 1200 O GLY A 76 -9.089 -5.763 -9.878 1.00 31.44 O ATOM 0 H GLY A 76 -11.334 -2.219 -10.574 1.00 41.04 H new ATOM 0 HA2 GLY A 76 -11.586 -4.029 -9.276 1.00 30.34 H new ATOM 0 HA3 GLY A 76 -11.326 -5.003 -10.710 1.00 30.34 H new ATOM 1204 N ILE A 77 -8.963 -3.860 -8.684 1.00 3.30 N ATOM 1205 CA ILE A 77 -7.680 -4.196 -8.079 1.00 0.12 C ATOM 1206 C ILE A 77 -7.728 -4.035 -6.563 1.00 50.32 C ATOM 1207 O ILE A 77 -8.519 -3.263 -6.021 1.00 11.31 O ATOM 1208 CB ILE A 77 -6.545 -3.320 -8.641 1.00 52.43 C ATOM 1209 CG1 ILE A 77 -6.921 -1.839 -8.549 1.00 72.34 C ATOM 1210 CG2 ILE A 77 -6.242 -3.706 -10.081 1.00 64.11 C ATOM 1211 CD1 ILE A 77 -5.944 -1.017 -7.739 1.00 11.13 C ATOM 0 H ILE A 77 -9.343 -2.959 -8.394 1.00 3.30 H new ATOM 0 HA ILE A 77 -7.479 -5.239 -8.325 1.00 0.12 H new ATOM 0 HB ILE A 77 -5.648 -3.486 -8.044 1.00 52.43 H new ATOM 0 HG12 ILE A 77 -6.984 -1.425 -9.555 1.00 72.34 H new ATOM 0 HG13 ILE A 77 -7.913 -1.751 -8.105 1.00 72.34 H new ATOM 0 HG21 ILE A 77 -5.438 -3.078 -10.464 1.00 64.11 H new ATOM 0 HG22 ILE A 77 -5.937 -4.752 -10.121 1.00 64.11 H new ATOM 0 HG23 ILE A 77 -7.134 -3.565 -10.691 1.00 64.11 H new ATOM 0 HD11 ILE A 77 -6.273 0.022 -7.717 1.00 11.13 H new ATOM 0 HD12 ILE A 77 -5.898 -1.405 -6.721 1.00 11.13 H new ATOM 0 HD13 ILE A 77 -4.955 -1.074 -8.194 1.00 11.13 H new ATOM 1223 N PRO A 78 -6.860 -4.779 -5.861 1.00 55.23 N ATOM 1224 CA PRO A 78 -6.782 -4.734 -4.398 1.00 74.31 C ATOM 1225 C PRO A 78 -6.214 -3.415 -3.888 1.00 12.53 C ATOM 1226 O PRO A 78 -4.999 -3.220 -3.861 1.00 65.43 O ATOM 1227 CB PRO A 78 -5.838 -5.890 -4.058 1.00 72.10 C ATOM 1228 CG PRO A 78 -5.002 -6.068 -5.278 1.00 40.31 C ATOM 1229 CD PRO A 78 -5.889 -5.720 -6.442 1.00 24.41 C ATOM 0 HA PRO A 78 -7.765 -4.818 -3.935 1.00 74.31 H new ATOM 0 HB2 PRO A 78 -5.224 -5.657 -3.188 1.00 72.10 H new ATOM 0 HB3 PRO A 78 -6.393 -6.798 -3.822 1.00 72.10 H new ATOM 0 HG2 PRO A 78 -4.125 -5.421 -5.248 1.00 40.31 H new ATOM 0 HG3 PRO A 78 -4.639 -7.093 -5.356 1.00 40.31 H new ATOM 0 HD2 PRO A 78 -5.324 -5.264 -7.255 1.00 24.41 H new ATOM 0 HD3 PRO A 78 -6.380 -6.603 -6.851 1.00 24.41 H new ATOM 1237 N ILE A 79 -7.101 -2.511 -3.483 1.00 64.21 N ATOM 1238 CA ILE A 79 -6.686 -1.211 -2.972 1.00 52.41 C ATOM 1239 C ILE A 79 -7.128 -1.022 -1.525 1.00 21.53 C ATOM 1240 O ILE A 79 -8.291 -1.240 -1.188 1.00 12.32 O ATOM 1241 CB ILE A 79 -7.258 -0.062 -3.825 1.00 22.52 C ATOM 1242 CG1 ILE A 79 -6.843 1.290 -3.242 1.00 11.11 C ATOM 1243 CG2 ILE A 79 -8.773 -0.168 -3.907 1.00 53.31 C ATOM 1244 CD1 ILE A 79 -5.345 1.478 -3.158 1.00 24.12 C ATOM 0 H ILE A 79 -8.111 -2.656 -3.499 1.00 64.21 H new ATOM 0 HA ILE A 79 -5.598 -1.185 -3.024 1.00 52.41 H new ATOM 0 HB ILE A 79 -6.853 -0.141 -4.834 1.00 22.52 H new ATOM 0 HG12 ILE A 79 -7.267 2.086 -3.854 1.00 11.11 H new ATOM 0 HG13 ILE A 79 -7.270 1.393 -2.245 1.00 11.11 H new ATOM 0 HG21 ILE A 79 -9.163 0.650 -4.513 1.00 53.31 H new ATOM 0 HG22 ILE A 79 -9.047 -1.119 -4.363 1.00 53.31 H new ATOM 0 HG23 ILE A 79 -9.197 -0.111 -2.904 1.00 53.31 H new ATOM 0 HD11 ILE A 79 -5.124 2.458 -2.735 1.00 24.12 H new ATOM 0 HD12 ILE A 79 -4.916 0.704 -2.522 1.00 24.12 H new ATOM 0 HD13 ILE A 79 -4.913 1.408 -4.156 1.00 24.12 H new ATOM 1256 N GLU A 80 -6.191 -0.616 -0.674 1.00 0.41 N ATOM 1257 CA GLU A 80 -6.485 -0.397 0.738 1.00 63.14 C ATOM 1258 C GLU A 80 -6.267 1.064 1.119 1.00 53.43 C ATOM 1259 O GLU A 80 -5.442 1.756 0.522 1.00 5.01 O ATOM 1260 CB GLU A 80 -5.608 -1.299 1.609 1.00 11.33 C ATOM 1261 CG GLU A 80 -6.349 -2.492 2.189 1.00 71.14 C ATOM 1262 CD GLU A 80 -7.093 -3.286 1.132 1.00 1.21 C ATOM 1263 OE1 GLU A 80 -6.588 -3.379 -0.006 1.00 40.20 O ATOM 1264 OE2 GLU A 80 -8.181 -3.814 1.444 1.00 23.24 O ATOM 0 H GLU A 80 -5.223 -0.432 -0.937 1.00 0.41 H new ATOM 0 HA GLU A 80 -7.532 -0.646 0.908 1.00 63.14 H new ATOM 0 HB2 GLU A 80 -4.768 -1.658 1.015 1.00 11.33 H new ATOM 0 HB3 GLU A 80 -5.192 -0.708 2.425 1.00 11.33 H new ATOM 0 HG2 GLU A 80 -5.639 -3.145 2.696 1.00 71.14 H new ATOM 0 HG3 GLU A 80 -7.056 -2.145 2.942 1.00 71.14 H new ATOM 1271 N ILE A 81 -7.014 1.527 2.115 1.00 14.23 N ATOM 1272 CA ILE A 81 -6.903 2.905 2.576 1.00 14.54 C ATOM 1273 C ILE A 81 -6.379 2.966 4.007 1.00 0.00 C ATOM 1274 O ILE A 81 -6.834 2.224 4.878 1.00 75.34 O ATOM 1275 CB ILE A 81 -8.259 3.633 2.507 1.00 0.23 C ATOM 1276 CG1 ILE A 81 -8.891 3.450 1.126 1.00 32.41 C ATOM 1277 CG2 ILE A 81 -8.084 5.111 2.823 1.00 25.03 C ATOM 1278 CD1 ILE A 81 -8.091 4.078 0.007 1.00 62.12 C ATOM 0 H ILE A 81 -7.703 0.968 2.618 1.00 14.23 H new ATOM 0 HA ILE A 81 -6.197 3.404 1.911 1.00 14.54 H new ATOM 0 HB ILE A 81 -8.926 3.199 3.252 1.00 0.23 H new ATOM 0 HG12 ILE A 81 -9.005 2.385 0.926 1.00 32.41 H new ATOM 0 HG13 ILE A 81 -9.892 3.882 1.133 1.00 32.41 H new ATOM 0 HG21 ILE A 81 -9.051 5.611 2.770 1.00 25.03 H new ATOM 0 HG22 ILE A 81 -7.672 5.222 3.826 1.00 25.03 H new ATOM 0 HG23 ILE A 81 -7.403 5.560 2.099 1.00 25.03 H new ATOM 0 HD11 ILE A 81 -8.599 3.909 -0.943 1.00 62.12 H new ATOM 0 HD12 ILE A 81 -7.998 5.150 0.183 1.00 62.12 H new ATOM 0 HD13 ILE A 81 -7.098 3.629 -0.027 1.00 62.12 H new ATOM 1290 N ILE A 82 -5.421 3.856 4.243 1.00 64.42 N ATOM 1291 CA ILE A 82 -4.836 4.015 5.569 1.00 55.13 C ATOM 1292 C ILE A 82 -5.614 5.035 6.393 1.00 53.30 C ATOM 1293 O ILE A 82 -5.843 6.160 5.951 1.00 13.31 O ATOM 1294 CB ILE A 82 -3.363 4.455 5.485 1.00 1.25 C ATOM 1295 CG1 ILE A 82 -2.573 3.501 4.588 1.00 62.31 C ATOM 1296 CG2 ILE A 82 -2.748 4.514 6.876 1.00 14.10 C ATOM 1297 CD1 ILE A 82 -1.143 3.935 4.355 1.00 42.34 C ATOM 0 H ILE A 82 -5.033 4.478 3.534 1.00 64.42 H new ATOM 0 HA ILE A 82 -4.888 3.042 6.057 1.00 55.13 H new ATOM 0 HB ILE A 82 -3.322 5.452 5.048 1.00 1.25 H new ATOM 0 HG12 ILE A 82 -2.574 2.508 5.038 1.00 62.31 H new ATOM 0 HG13 ILE A 82 -3.080 3.416 3.627 1.00 62.31 H new ATOM 0 HG21 ILE A 82 -1.706 4.826 6.800 1.00 14.10 H new ATOM 0 HG22 ILE A 82 -3.298 5.230 7.487 1.00 14.10 H new ATOM 0 HG23 ILE A 82 -2.798 3.528 7.338 1.00 14.10 H new ATOM 0 HD11 ILE A 82 -0.644 3.212 3.711 1.00 42.34 H new ATOM 0 HD12 ILE A 82 -1.133 4.914 3.877 1.00 42.34 H new ATOM 0 HD13 ILE A 82 -0.620 3.992 5.310 1.00 42.34 H new ATOM 1309 N ASN A 83 -6.017 4.634 7.595 1.00 45.24 N ATOM 1310 CA ASN A 83 -6.768 5.514 8.482 1.00 1.22 C ATOM 1311 C ASN A 83 -5.887 6.649 8.997 1.00 71.23 C ATOM 1312 O ASN A 83 -4.676 6.488 9.153 1.00 12.32 O ATOM 1313 CB ASN A 83 -7.336 4.720 9.660 1.00 11.33 C ATOM 1314 CG ASN A 83 -8.785 4.325 9.446 1.00 5.12 C ATOM 1315 OD1 ASN A 83 -9.688 5.154 9.554 1.00 12.13 O ATOM 1316 ND2 ASN A 83 -9.012 3.053 9.141 1.00 25.20 N ATOM 0 H ASN A 83 -5.836 3.706 7.976 1.00 45.24 H new ATOM 0 HA ASN A 83 -7.591 5.946 7.913 1.00 1.22 H new ATOM 0 HB2 ASN A 83 -6.736 3.823 9.813 1.00 11.33 H new ATOM 0 HB3 ASN A 83 -7.255 5.316 10.569 1.00 11.33 H new ATOM 0 HD21 ASN A 83 -9.966 2.728 8.986 1.00 25.20 H new ATOM 0 HD22 ASN A 83 -8.232 2.400 9.062 1.00 25.20 H new ATOM 1323 N THR A 84 -6.504 7.797 9.259 1.00 3.02 N ATOM 1324 CA THR A 84 -5.777 8.959 9.755 1.00 20.35 C ATOM 1325 C THR A 84 -4.944 8.604 10.982 1.00 34.31 C ATOM 1326 O THR A 84 -3.809 9.058 11.126 1.00 50.23 O ATOM 1327 CB THR A 84 -6.736 10.109 10.115 1.00 4.53 C ATOM 1328 OG1 THR A 84 -8.040 9.844 9.586 1.00 4.43 O ATOM 1329 CG2 THR A 84 -6.221 11.433 9.570 1.00 40.10 C ATOM 0 H THR A 84 -7.505 7.947 9.136 1.00 3.02 H new ATOM 0 HA THR A 84 -5.116 9.285 8.952 1.00 20.35 H new ATOM 0 HB THR A 84 -6.793 10.179 11.201 1.00 4.53 H new ATOM 0 HG1 THR A 84 -8.521 9.240 10.189 1.00 4.43 H new ATOM 0 HG21 THR A 84 -6.915 12.231 9.836 1.00 40.10 H new ATOM 0 HG22 THR A 84 -5.241 11.646 9.998 1.00 40.10 H new ATOM 0 HG23 THR A 84 -6.138 11.372 8.485 1.00 40.10 H new ATOM 1337 N ILE A 85 -5.515 7.789 11.863 1.00 11.22 N ATOM 1338 CA ILE A 85 -4.824 7.372 13.077 1.00 43.23 C ATOM 1339 C ILE A 85 -3.619 6.497 12.750 1.00 63.24 C ATOM 1340 O ILE A 85 -2.489 6.814 13.122 1.00 21.21 O ATOM 1341 CB ILE A 85 -5.763 6.601 14.023 1.00 63.22 C ATOM 1342 CG1 ILE A 85 -7.009 7.434 14.331 1.00 61.44 C ATOM 1343 CG2 ILE A 85 -5.035 6.232 15.307 1.00 41.21 C ATOM 1344 CD1 ILE A 85 -8.271 6.887 13.702 1.00 54.03 C ATOM 0 H ILE A 85 -6.454 7.405 11.759 1.00 11.22 H new ATOM 0 HA ILE A 85 -4.486 8.280 13.576 1.00 43.23 H new ATOM 0 HB ILE A 85 -6.077 5.681 13.529 1.00 63.22 H new ATOM 0 HG12 ILE A 85 -7.144 7.486 15.411 1.00 61.44 H new ATOM 0 HG13 ILE A 85 -6.850 8.454 13.980 1.00 61.44 H new ATOM 0 HG21 ILE A 85 -5.712 5.688 15.965 1.00 41.21 H new ATOM 0 HG22 ILE A 85 -4.176 5.604 15.071 1.00 41.21 H new ATOM 0 HG23 ILE A 85 -4.695 7.139 15.806 1.00 41.21 H new ATOM 0 HD11 ILE A 85 -9.114 7.527 13.962 1.00 54.03 H new ATOM 0 HD12 ILE A 85 -8.156 6.861 12.618 1.00 54.03 H new ATOM 0 HD13 ILE A 85 -8.454 5.878 14.072 1.00 54.03 H new ATOM 1356 N ASP A 86 -3.867 5.395 12.050 1.00 52.42 N ATOM 1357 CA ASP A 86 -2.802 4.475 11.669 1.00 32.22 C ATOM 1358 C ASP A 86 -1.692 5.207 10.923 1.00 43.33 C ATOM 1359 O ASP A 86 -0.510 4.915 11.105 1.00 4.35 O ATOM 1360 CB ASP A 86 -3.360 3.347 10.800 1.00 73.02 C ATOM 1361 CG ASP A 86 -4.179 2.352 11.598 1.00 35.10 C ATOM 1362 OD1 ASP A 86 -4.875 2.779 12.543 1.00 24.02 O ATOM 1363 OD2 ASP A 86 -4.125 1.146 11.278 1.00 23.31 O ATOM 0 H ASP A 86 -4.797 5.117 11.735 1.00 52.42 H new ATOM 0 HA ASP A 86 -2.382 4.048 12.580 1.00 32.22 H new ATOM 0 HB2 ASP A 86 -3.980 3.773 10.011 1.00 73.02 H new ATOM 0 HB3 ASP A 86 -2.536 2.826 10.312 1.00 73.02 H new ATOM 1368 N TYR A 87 -2.080 6.159 10.081 1.00 63.32 N ATOM 1369 CA TYR A 87 -1.117 6.931 9.304 1.00 73.43 C ATOM 1370 C TYR A 87 -0.279 7.827 10.210 1.00 55.40 C ATOM 1371 O TYR A 87 0.943 7.703 10.267 1.00 42.32 O ATOM 1372 CB TYR A 87 -1.840 7.778 8.255 1.00 4.53 C ATOM 1373 CG TYR A 87 -0.911 8.634 7.424 1.00 62.35 C ATOM 1374 CD1 TYR A 87 0.071 8.057 6.628 1.00 62.41 C ATOM 1375 CD2 TYR A 87 -1.016 10.019 7.433 1.00 40.25 C ATOM 1376 CE1 TYR A 87 0.922 8.834 5.867 1.00 4.31 C ATOM 1377 CE2 TYR A 87 -0.170 10.805 6.674 1.00 70.23 C ATOM 1378 CZ TYR A 87 0.798 10.208 5.893 1.00 32.31 C ATOM 1379 OH TYR A 87 1.643 10.986 5.135 1.00 32.25 O ATOM 0 H TYR A 87 -3.054 6.414 9.919 1.00 63.32 H new ATOM 0 HA TYR A 87 -0.450 6.232 8.800 1.00 73.43 H new ATOM 0 HB2 TYR A 87 -2.403 7.120 7.594 1.00 4.53 H new ATOM 0 HB3 TYR A 87 -2.563 8.422 8.755 1.00 4.53 H new ATOM 0 HD1 TYR A 87 0.170 6.982 6.604 1.00 62.41 H new ATOM 0 HD2 TYR A 87 -1.772 10.490 8.044 1.00 40.25 H new ATOM 0 HE1 TYR A 87 1.680 8.369 5.255 1.00 4.31 H new ATOM 0 HE2 TYR A 87 -0.266 11.881 6.692 1.00 70.23 H new ATOM 0 HH TYR A 87 1.524 10.770 4.187 1.00 32.25 H new ATOM 1389 N GLY A 88 -0.948 8.732 10.919 1.00 74.02 N ATOM 1390 CA GLY A 88 -0.251 9.637 11.814 1.00 60.22 C ATOM 1391 C GLY A 88 0.590 8.904 12.840 1.00 65.55 C ATOM 1392 O GLY A 88 1.576 9.442 13.345 1.00 20.43 O ATOM 0 H GLY A 88 -1.960 8.854 10.889 1.00 74.02 H new ATOM 0 HA2 GLY A 88 0.389 10.299 11.230 1.00 60.22 H new ATOM 0 HA3 GLY A 88 -0.978 10.267 12.327 1.00 60.22 H new ATOM 1396 N THR A 89 0.201 7.671 13.150 1.00 23.21 N ATOM 1397 CA THR A 89 0.925 6.864 14.124 1.00 34.52 C ATOM 1398 C THR A 89 2.064 6.095 13.464 1.00 12.22 C ATOM 1399 O THR A 89 3.047 5.744 14.115 1.00 3.34 O ATOM 1400 CB THR A 89 -0.011 5.865 14.832 1.00 63.13 C ATOM 1401 OG1 THR A 89 -0.698 5.066 13.862 1.00 12.32 O ATOM 1402 CG2 THR A 89 -1.021 6.595 15.704 1.00 73.42 C ATOM 0 H THR A 89 -0.611 7.210 12.740 1.00 23.21 H new ATOM 0 HA THR A 89 1.336 7.553 14.862 1.00 34.52 H new ATOM 0 HB THR A 89 0.595 5.221 15.469 1.00 63.13 H new ATOM 0 HG1 THR A 89 -1.529 5.514 13.598 1.00 12.32 H new ATOM 0 HG21 THR A 89 -1.671 5.869 16.193 1.00 73.42 H new ATOM 0 HG22 THR A 89 -0.495 7.179 16.459 1.00 73.42 H new ATOM 0 HG23 THR A 89 -1.622 7.261 15.085 1.00 73.42 H new ATOM 1410 N MET A 90 1.925 5.838 12.168 1.00 74.41 N ATOM 1411 CA MET A 90 2.944 5.112 11.419 1.00 24.15 C ATOM 1412 C MET A 90 3.104 3.692 11.954 1.00 54.11 C ATOM 1413 O MET A 90 4.182 3.305 12.401 1.00 64.35 O ATOM 1414 CB MET A 90 4.283 5.850 11.492 1.00 34.22 C ATOM 1415 CG MET A 90 4.179 7.330 11.163 1.00 11.22 C ATOM 1416 SD MET A 90 4.713 8.384 12.526 1.00 74.42 S ATOM 1417 CE MET A 90 6.407 7.840 12.731 1.00 72.33 C ATOM 0 H MET A 90 1.117 6.122 11.614 1.00 74.41 H new ATOM 0 HA MET A 90 2.624 5.056 10.379 1.00 24.15 H new ATOM 0 HB2 MET A 90 4.697 5.737 12.494 1.00 34.22 H new ATOM 0 HB3 MET A 90 4.985 5.381 10.803 1.00 34.22 H new ATOM 0 HG2 MET A 90 4.785 7.546 10.283 1.00 11.22 H new ATOM 0 HG3 MET A 90 3.147 7.570 10.906 1.00 11.22 H new ATOM 0 HE1 MET A 90 6.598 7.632 13.784 1.00 72.33 H new ATOM 0 HE2 MET A 90 6.572 6.935 12.147 1.00 72.33 H new ATOM 0 HE3 MET A 90 7.084 8.622 12.387 1.00 72.33 H new ATOM 1427 N ASN A 91 2.022 2.921 11.905 1.00 50.31 N ATOM 1428 CA ASN A 91 2.042 1.544 12.385 1.00 2.42 C ATOM 1429 C ASN A 91 2.448 0.585 11.270 1.00 13.32 C ATOM 1430 O ASN A 91 1.601 0.076 10.537 1.00 44.13 O ATOM 1431 CB ASN A 91 0.669 1.154 12.935 1.00 72.21 C ATOM 1432 CG ASN A 91 0.618 1.201 14.450 1.00 72.41 C ATOM 1433 OD1 ASN A 91 -0.198 1.915 15.033 1.00 41.02 O ATOM 1434 ND2 ASN A 91 1.492 0.437 15.095 1.00 60.00 N ATOM 0 H ASN A 91 1.121 3.227 11.538 1.00 50.31 H new ATOM 0 HA ASN A 91 2.779 1.475 13.185 1.00 2.42 H new ATOM 0 HB2 ASN A 91 -0.087 1.826 12.528 1.00 72.21 H new ATOM 0 HB3 ASN A 91 0.417 0.149 12.597 1.00 72.21 H new ATOM 0 HD21 ASN A 91 1.505 0.426 16.115 1.00 60.00 H new ATOM 0 HD22 ASN A 91 2.150 -0.139 14.571 1.00 60.00 H new ATOM 1441 N GLY A 92 3.750 0.343 11.149 1.00 35.15 N ATOM 1442 CA GLY A 92 4.245 -0.555 10.122 1.00 11.34 C ATOM 1443 C GLY A 92 3.546 -1.899 10.141 1.00 35.41 C ATOM 1444 O GLY A 92 3.104 -2.390 9.103 1.00 71.42 O ATOM 0 H GLY A 92 4.470 0.753 11.744 1.00 35.15 H new ATOM 0 HA2 GLY A 92 4.110 -0.093 9.144 1.00 11.34 H new ATOM 0 HA3 GLY A 92 5.316 -0.704 10.259 1.00 11.34 H new ATOM 1448 N GLU A 93 3.446 -2.497 11.325 1.00 42.34 N ATOM 1449 CA GLU A 93 2.798 -3.794 11.473 1.00 73.45 C ATOM 1450 C GLU A 93 1.405 -3.781 10.848 1.00 2.04 C ATOM 1451 O GLU A 93 1.059 -4.657 10.056 1.00 34.42 O ATOM 1452 CB GLU A 93 2.702 -4.176 12.951 1.00 22.02 C ATOM 1453 CG GLU A 93 2.187 -5.587 13.184 1.00 44.43 C ATOM 1454 CD GLU A 93 1.762 -5.823 14.620 1.00 65.21 C ATOM 1455 OE1 GLU A 93 0.601 -5.508 14.954 1.00 40.11 O ATOM 1456 OE2 GLU A 93 2.591 -6.323 15.410 1.00 55.04 O ATOM 0 H GLU A 93 3.806 -2.103 12.195 1.00 42.34 H new ATOM 0 HA GLU A 93 3.404 -4.535 10.953 1.00 73.45 H new ATOM 0 HB2 GLU A 93 3.687 -4.078 13.407 1.00 22.02 H new ATOM 0 HB3 GLU A 93 2.044 -3.470 13.458 1.00 22.02 H new ATOM 0 HG2 GLU A 93 1.341 -5.775 12.523 1.00 44.43 H new ATOM 0 HG3 GLU A 93 2.965 -6.302 12.917 1.00 44.43 H new ATOM 1463 N LYS A 94 0.610 -2.780 11.212 1.00 61.42 N ATOM 1464 CA LYS A 94 -0.745 -2.650 10.689 1.00 64.23 C ATOM 1465 C LYS A 94 -0.728 -2.472 9.174 1.00 51.51 C ATOM 1466 O LYS A 94 -1.586 -3.001 8.467 1.00 42.31 O ATOM 1467 CB LYS A 94 -1.455 -1.464 11.345 1.00 31.30 C ATOM 1468 CG LYS A 94 -1.630 -1.615 12.846 1.00 1.13 C ATOM 1469 CD LYS A 94 -2.947 -2.290 13.189 1.00 31.24 C ATOM 1470 CE LYS A 94 -3.706 -1.520 14.259 1.00 54.23 C ATOM 1471 NZ LYS A 94 -4.472 -2.427 15.157 1.00 34.23 N ATOM 0 H LYS A 94 0.881 -2.047 11.867 1.00 61.42 H new ATOM 0 HA LYS A 94 -1.288 -3.565 10.924 1.00 64.23 H new ATOM 0 HB2 LYS A 94 -0.888 -0.555 11.143 1.00 31.30 H new ATOM 0 HB3 LYS A 94 -2.435 -1.338 10.884 1.00 31.30 H new ATOM 0 HG2 LYS A 94 -0.804 -2.199 13.252 1.00 1.13 H new ATOM 0 HG3 LYS A 94 -1.589 -0.634 13.318 1.00 1.13 H new ATOM 0 HD2 LYS A 94 -3.561 -2.369 12.292 1.00 31.24 H new ATOM 0 HD3 LYS A 94 -2.757 -3.306 13.536 1.00 31.24 H new ATOM 0 HE2 LYS A 94 -3.004 -0.932 14.850 1.00 54.23 H new ATOM 0 HE3 LYS A 94 -4.390 -0.817 13.784 1.00 54.23 H new ATOM 0 HZ1 LYS A 94 -4.975 -1.864 15.872 1.00 34.23 H new ATOM 0 HZ2 LYS A 94 -5.160 -2.970 14.597 1.00 34.23 H new ATOM 0 HZ3 LYS A 94 -3.817 -3.082 15.630 1.00 34.23 H new ATOM 1485 N VAL A 95 0.254 -1.724 8.681 1.00 3.44 N ATOM 1486 CA VAL A 95 0.384 -1.478 7.250 1.00 11.42 C ATOM 1487 C VAL A 95 0.602 -2.779 6.486 1.00 2.24 C ATOM 1488 O VAL A 95 -0.253 -3.207 5.710 1.00 1.02 O ATOM 1489 CB VAL A 95 1.549 -0.517 6.949 1.00 5.32 C ATOM 1490 CG1 VAL A 95 1.642 -0.240 5.456 1.00 32.23 C ATOM 1491 CG2 VAL A 95 1.387 0.778 7.731 1.00 42.34 C ATOM 0 H VAL A 95 0.972 -1.278 9.252 1.00 3.44 H new ATOM 0 HA VAL A 95 -0.549 -1.020 6.922 1.00 11.42 H new ATOM 0 HB VAL A 95 2.478 -0.991 7.264 1.00 5.32 H new ATOM 0 HG11 VAL A 95 2.471 0.441 5.263 1.00 32.23 H new ATOM 0 HG12 VAL A 95 1.809 -1.175 4.922 1.00 32.23 H new ATOM 0 HG13 VAL A 95 0.713 0.213 5.111 1.00 32.23 H new ATOM 0 HG21 VAL A 95 2.219 1.445 7.506 1.00 42.34 H new ATOM 0 HG22 VAL A 95 0.450 1.258 7.449 1.00 42.34 H new ATOM 0 HG23 VAL A 95 1.376 0.559 8.799 1.00 42.34 H new ATOM 1501 N LEU A 96 1.752 -3.405 6.712 1.00 42.44 N ATOM 1502 CA LEU A 96 2.084 -4.659 6.045 1.00 71.00 C ATOM 1503 C LEU A 96 0.983 -5.694 6.253 1.00 53.13 C ATOM 1504 O LEU A 96 0.660 -6.460 5.345 1.00 15.15 O ATOM 1505 CB LEU A 96 3.415 -5.202 6.569 1.00 13.50 C ATOM 1506 CG LEU A 96 3.557 -5.276 8.090 1.00 41.13 C ATOM 1507 CD1 LEU A 96 3.294 -6.691 8.582 1.00 40.42 C ATOM 1508 CD2 LEU A 96 4.940 -4.808 8.519 1.00 31.24 C ATOM 0 H LEU A 96 2.470 -3.065 7.352 1.00 42.44 H new ATOM 0 HA LEU A 96 2.175 -4.461 4.977 1.00 71.00 H new ATOM 0 HB2 LEU A 96 3.562 -6.202 6.161 1.00 13.50 H new ATOM 0 HB3 LEU A 96 4.218 -4.577 6.179 1.00 13.50 H new ATOM 0 HG LEU A 96 2.816 -4.614 8.538 1.00 41.13 H new ATOM 0 HD11 LEU A 96 3.400 -6.725 9.666 1.00 40.42 H new ATOM 0 HD12 LEU A 96 2.283 -6.990 8.306 1.00 40.42 H new ATOM 0 HD13 LEU A 96 4.011 -7.374 8.126 1.00 40.42 H new ATOM 0 HD21 LEU A 96 5.024 -4.867 9.604 1.00 31.24 H new ATOM 0 HD22 LEU A 96 5.698 -5.444 8.061 1.00 31.24 H new ATOM 0 HD23 LEU A 96 5.091 -3.777 8.199 1.00 31.24 H new ATOM 1520 N GLN A 97 0.410 -5.708 7.452 1.00 72.11 N ATOM 1521 CA GLN A 97 -0.656 -6.648 7.777 1.00 14.04 C ATOM 1522 C GLN A 97 -1.856 -6.450 6.857 1.00 72.32 C ATOM 1523 O GLN A 97 -2.368 -7.406 6.272 1.00 21.34 O ATOM 1524 CB GLN A 97 -1.085 -6.481 9.236 1.00 1.52 C ATOM 1525 CG GLN A 97 -0.222 -7.258 10.217 1.00 44.41 C ATOM 1526 CD GLN A 97 -0.434 -8.756 10.121 1.00 5.42 C ATOM 1527 OE1 GLN A 97 -1.327 -9.310 10.762 1.00 52.13 O ATOM 1528 NE2 GLN A 97 0.389 -9.420 9.318 1.00 23.12 N ATOM 0 H GLN A 97 0.666 -5.080 8.214 1.00 72.11 H new ATOM 0 HA GLN A 97 -0.272 -7.658 7.631 1.00 14.04 H new ATOM 0 HB2 GLN A 97 -1.054 -5.423 9.496 1.00 1.52 H new ATOM 0 HB3 GLN A 97 -2.121 -6.804 9.341 1.00 1.52 H new ATOM 0 HG2 GLN A 97 0.828 -7.031 10.031 1.00 44.41 H new ATOM 0 HG3 GLN A 97 -0.445 -6.928 11.232 1.00 44.41 H new ATOM 0 HE21 GLN A 97 1.115 -8.920 8.806 1.00 23.12 H new ATOM 0 HE22 GLN A 97 0.295 -10.430 9.214 1.00 23.12 H new ATOM 1537 N LEU A 98 -2.301 -5.205 6.732 1.00 0.22 N ATOM 1538 CA LEU A 98 -3.442 -4.881 5.882 1.00 23.14 C ATOM 1539 C LEU A 98 -3.161 -5.251 4.430 1.00 61.53 C ATOM 1540 O LEU A 98 -3.975 -5.903 3.776 1.00 14.42 O ATOM 1541 CB LEU A 98 -3.773 -3.391 5.986 1.00 74.41 C ATOM 1542 CG LEU A 98 -5.178 -2.984 5.541 1.00 74.12 C ATOM 1543 CD1 LEU A 98 -6.193 -3.289 6.631 1.00 33.25 C ATOM 1544 CD2 LEU A 98 -5.215 -1.508 5.174 1.00 44.22 C ATOM 0 H LEU A 98 -1.889 -4.403 7.208 1.00 0.22 H new ATOM 0 HA LEU A 98 -4.298 -5.462 6.226 1.00 23.14 H new ATOM 0 HB2 LEU A 98 -3.637 -3.080 7.022 1.00 74.41 H new ATOM 0 HB3 LEU A 98 -3.049 -2.836 5.389 1.00 74.41 H new ATOM 0 HG LEU A 98 -5.440 -3.565 4.656 1.00 74.12 H new ATOM 0 HD11 LEU A 98 -7.187 -2.992 6.296 1.00 33.25 H new ATOM 0 HD12 LEU A 98 -6.186 -4.358 6.846 1.00 33.25 H new ATOM 0 HD13 LEU A 98 -5.935 -2.736 7.534 1.00 33.25 H new ATOM 0 HD21 LEU A 98 -6.223 -1.236 4.860 1.00 44.22 H new ATOM 0 HD22 LEU A 98 -4.932 -0.910 6.040 1.00 44.22 H new ATOM 0 HD23 LEU A 98 -4.517 -1.318 4.358 1.00 44.22 H new ATOM 1556 N ALA A 99 -2.002 -4.834 3.931 1.00 2.23 N ATOM 1557 CA ALA A 99 -1.612 -5.125 2.558 1.00 65.25 C ATOM 1558 C ALA A 99 -1.699 -6.620 2.267 1.00 2.33 C ATOM 1559 O ALA A 99 -2.380 -7.041 1.332 1.00 32.02 O ATOM 1560 CB ALA A 99 -0.203 -4.615 2.289 1.00 15.13 C ATOM 0 H ALA A 99 -1.317 -4.293 4.458 1.00 2.23 H new ATOM 0 HA ALA A 99 -2.306 -4.611 1.893 1.00 65.25 H new ATOM 0 HB1 ALA A 99 0.075 -4.840 1.259 1.00 15.13 H new ATOM 0 HB2 ALA A 99 -0.170 -3.537 2.447 1.00 15.13 H new ATOM 0 HB3 ALA A 99 0.496 -5.103 2.968 1.00 15.13 H new ATOM 1566 N ILE A 100 -1.005 -7.416 3.074 1.00 42.34 N ATOM 1567 CA ILE A 100 -1.005 -8.863 2.903 1.00 61.33 C ATOM 1568 C ILE A 100 -2.419 -9.427 2.992 1.00 22.33 C ATOM 1569 O ILE A 100 -2.793 -10.315 2.227 1.00 15.23 O ATOM 1570 CB ILE A 100 -0.121 -9.555 3.957 1.00 4.21 C ATOM 1571 CG1 ILE A 100 1.315 -9.034 3.871 1.00 4.11 C ATOM 1572 CG2 ILE A 100 -0.155 -11.064 3.769 1.00 25.13 C ATOM 1573 CD1 ILE A 100 2.135 -9.314 5.111 1.00 22.20 C ATOM 0 H ILE A 100 -0.436 -7.083 3.852 1.00 42.34 H new ATOM 0 HA ILE A 100 -0.598 -9.063 1.912 1.00 61.33 H new ATOM 0 HB ILE A 100 -0.513 -9.323 4.947 1.00 4.21 H new ATOM 0 HG12 ILE A 100 1.806 -9.488 3.010 1.00 4.11 H new ATOM 0 HG13 ILE A 100 1.293 -7.958 3.695 1.00 4.11 H new ATOM 0 HG21 ILE A 100 0.475 -11.539 4.521 1.00 25.13 H new ATOM 0 HG22 ILE A 100 -1.179 -11.421 3.875 1.00 25.13 H new ATOM 0 HG23 ILE A 100 0.215 -11.315 2.775 1.00 25.13 H new ATOM 0 HD11 ILE A 100 3.141 -8.917 4.979 1.00 22.20 H new ATOM 0 HD12 ILE A 100 1.667 -8.837 5.972 1.00 22.20 H new ATOM 0 HD13 ILE A 100 2.188 -10.390 5.277 1.00 22.20 H new ATOM 1585 N ASN A 101 -3.200 -8.904 3.932 1.00 73.15 N ATOM 1586 CA ASN A 101 -4.574 -9.355 4.121 1.00 54.53 C ATOM 1587 C ASN A 101 -5.375 -9.217 2.829 1.00 64.30 C ATOM 1588 O ASN A 101 -5.989 -10.176 2.363 1.00 62.25 O ATOM 1589 CB ASN A 101 -5.247 -8.553 5.238 1.00 65.54 C ATOM 1590 CG ASN A 101 -5.722 -9.435 6.376 1.00 23.32 C ATOM 1591 OD1 ASN A 101 -4.987 -10.299 6.855 1.00 20.32 O ATOM 1592 ND2 ASN A 101 -6.957 -9.221 6.815 1.00 44.22 N ATOM 0 H ASN A 101 -2.905 -8.168 4.574 1.00 73.15 H new ATOM 0 HA ASN A 101 -4.549 -10.408 4.402 1.00 54.53 H new ATOM 0 HB2 ASN A 101 -4.546 -7.813 5.624 1.00 65.54 H new ATOM 0 HB3 ASN A 101 -6.095 -8.005 4.828 1.00 65.54 H new ATOM 0 HD21 ASN A 101 -7.331 -9.784 7.579 1.00 44.22 H new ATOM 0 HD22 ASN A 101 -7.531 -8.494 6.388 1.00 44.22 H new ATOM 1599 N ALA A 102 -5.362 -8.018 2.256 1.00 63.31 N ATOM 1600 CA ALA A 102 -6.083 -7.756 1.017 1.00 14.10 C ATOM 1601 C ALA A 102 -5.550 -8.618 -0.122 1.00 74.30 C ATOM 1602 O ALA A 102 -6.319 -9.146 -0.927 1.00 3.33 O ATOM 1603 CB ALA A 102 -5.990 -6.281 0.654 1.00 64.43 C ATOM 0 H ALA A 102 -4.860 -7.213 2.630 1.00 63.31 H new ATOM 0 HA ALA A 102 -7.130 -8.015 1.174 1.00 14.10 H new ATOM 0 HB1 ALA A 102 -6.533 -6.100 -0.274 1.00 64.43 H new ATOM 0 HB2 ALA A 102 -6.426 -5.681 1.453 1.00 64.43 H new ATOM 0 HB3 ALA A 102 -4.944 -6.004 0.522 1.00 64.43 H new ATOM 1609 N PHE A 103 -4.230 -8.757 -0.185 1.00 33.40 N ATOM 1610 CA PHE A 103 -3.594 -9.555 -1.227 1.00 54.22 C ATOM 1611 C PHE A 103 -4.157 -10.973 -1.246 1.00 71.04 C ATOM 1612 O PHE A 103 -4.681 -11.431 -2.261 1.00 44.32 O ATOM 1613 CB PHE A 103 -2.080 -9.598 -1.013 1.00 41.24 C ATOM 1614 CG PHE A 103 -1.363 -10.495 -1.981 1.00 71.23 C ATOM 1615 CD1 PHE A 103 -1.312 -10.181 -3.330 1.00 22.11 C ATOM 1616 CD2 PHE A 103 -0.740 -11.652 -1.543 1.00 31.34 C ATOM 1617 CE1 PHE A 103 -0.654 -11.006 -4.223 1.00 4.44 C ATOM 1618 CE2 PHE A 103 -0.080 -12.481 -2.431 1.00 1.43 C ATOM 1619 CZ PHE A 103 -0.036 -12.156 -3.772 1.00 62.14 C ATOM 0 H PHE A 103 -3.580 -8.327 0.473 1.00 33.40 H new ATOM 0 HA PHE A 103 -3.805 -9.087 -2.188 1.00 54.22 H new ATOM 0 HB2 PHE A 103 -1.680 -8.588 -1.101 1.00 41.24 H new ATOM 0 HB3 PHE A 103 -1.874 -9.935 0.003 1.00 41.24 H new ATOM 0 HD1 PHE A 103 -1.792 -9.282 -3.687 1.00 22.11 H new ATOM 0 HD2 PHE A 103 -0.770 -11.910 -0.495 1.00 31.34 H new ATOM 0 HE1 PHE A 103 -0.623 -10.752 -5.272 1.00 4.44 H new ATOM 0 HE2 PHE A 103 0.400 -13.381 -2.076 1.00 1.43 H new ATOM 0 HZ PHE A 103 0.481 -12.800 -4.468 1.00 62.14 H new ATOM 1629 N ASN A 104 -4.044 -11.663 -0.116 1.00 70.43 N ATOM 1630 CA ASN A 104 -4.540 -13.030 -0.003 1.00 31.13 C ATOM 1631 C ASN A 104 -6.049 -13.081 -0.222 1.00 31.14 C ATOM 1632 O ASN A 104 -6.559 -13.977 -0.893 1.00 31.35 O ATOM 1633 CB ASN A 104 -4.193 -13.608 1.371 1.00 61.33 C ATOM 1634 CG ASN A 104 -2.745 -14.051 1.462 1.00 34.05 C ATOM 1635 OD1 ASN A 104 -2.048 -14.145 0.452 1.00 10.42 O ATOM 1636 ND2 ASN A 104 -2.287 -14.326 2.678 1.00 21.20 N ATOM 0 H ASN A 104 -3.614 -11.299 0.734 1.00 70.43 H new ATOM 0 HA ASN A 104 -4.058 -13.630 -0.775 1.00 31.13 H new ATOM 0 HB2 ASN A 104 -4.390 -12.859 2.138 1.00 61.33 H new ATOM 0 HB3 ASN A 104 -4.844 -14.457 1.580 1.00 61.33 H new ATOM 0 HD21 ASN A 104 -1.321 -14.629 2.803 1.00 21.20 H new ATOM 0 HD22 ASN A 104 -2.901 -14.234 3.487 1.00 21.20 H new ATOM 1643 N ASN A 105 -6.757 -12.112 0.349 1.00 34.12 N ATOM 1644 CA ASN A 105 -8.208 -12.046 0.217 1.00 73.24 C ATOM 1645 C ASN A 105 -8.619 -12.009 -1.252 1.00 71.33 C ATOM 1646 O ASN A 105 -9.603 -12.634 -1.649 1.00 40.14 O ATOM 1647 CB ASN A 105 -8.752 -10.813 0.941 1.00 61.00 C ATOM 1648 CG ASN A 105 -10.265 -10.826 1.049 1.00 44.12 C ATOM 1649 OD1 ASN A 105 -10.948 -11.484 0.265 1.00 73.51 O ATOM 1650 ND2 ASN A 105 -10.794 -10.096 2.023 1.00 13.32 N ATOM 0 H ASN A 105 -6.350 -11.362 0.907 1.00 34.12 H new ATOM 0 HA ASN A 105 -8.630 -12.942 0.672 1.00 73.24 H new ATOM 0 HB2 ASN A 105 -8.320 -10.762 1.940 1.00 61.00 H new ATOM 0 HB3 ASN A 105 -8.436 -9.915 0.410 1.00 61.00 H new ATOM 0 HD21 ASN A 105 -11.806 -10.065 2.145 1.00 13.32 H new ATOM 0 HD22 ASN A 105 -10.188 -9.566 2.650 1.00 13.32 H new ATOM 1657 N LYS A 106 -7.858 -11.273 -2.055 1.00 73.34 N ATOM 1658 CA LYS A 106 -8.140 -11.155 -3.481 1.00 74.20 C ATOM 1659 C LYS A 106 -9.588 -10.737 -3.716 1.00 52.14 C ATOM 1660 O LYS A 106 -10.411 -11.537 -4.161 1.00 31.32 O ATOM 1661 CB LYS A 106 -7.860 -12.483 -4.189 1.00 15.21 C ATOM 1662 CG LYS A 106 -6.444 -12.600 -4.724 1.00 41.34 C ATOM 1663 CD LYS A 106 -6.425 -12.660 -6.243 1.00 22.35 C ATOM 1664 CE LYS A 106 -6.273 -11.276 -6.854 1.00 14.23 C ATOM 1665 NZ LYS A 106 -7.578 -10.563 -6.942 1.00 3.43 N ATOM 0 H LYS A 106 -7.041 -10.749 -1.742 1.00 73.34 H new ATOM 0 HA LYS A 106 -7.487 -10.386 -3.893 1.00 74.20 H new ATOM 0 HB2 LYS A 106 -8.046 -13.302 -3.494 1.00 15.21 H new ATOM 0 HB3 LYS A 106 -8.562 -12.600 -5.014 1.00 15.21 H new ATOM 0 HG2 LYS A 106 -5.854 -11.748 -4.385 1.00 41.34 H new ATOM 0 HG3 LYS A 106 -5.973 -13.495 -4.318 1.00 41.34 H new ATOM 0 HD2 LYS A 106 -5.604 -13.296 -6.573 1.00 22.35 H new ATOM 0 HD3 LYS A 106 -7.347 -13.118 -6.602 1.00 22.35 H new ATOM 0 HE2 LYS A 106 -5.578 -10.689 -6.254 1.00 14.23 H new ATOM 0 HE3 LYS A 106 -5.839 -11.364 -7.850 1.00 14.23 H new ATOM 0 HZ1 LYS A 106 -7.510 -9.800 -7.645 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 -8.321 -11.232 -7.229 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 -7.816 -10.159 -6.014 1.00 3.43 H new