USER MOD reduce.3.24.130724 H: found=0, std=0, add=1444, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1446 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 Single : A 12 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 17 THR OG1 : rot -154:sc= -0.993 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.48) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.907! USER MOD Single : A 44 HIS : no HD1:sc= -0.0197 K(o=-0.02,f=-0.61) USER MOD Single : A 46 SER OG : rot 47:sc= -0.124 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 50 ASN : amide:sc= -2.54! C(o=-2.5!,f=-6.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -3.5! C(o=-3.5!,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -0.0315 (180deg=-0.729) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.72) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 96 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-1.2) USER MOD Single : A 97 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-1.2) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : B 17 THR OG1 : rot -160:sc= -0.471 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.363 K(o=-0.36,f=-3!) USER MOD Single : B 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 83:sc= -0.69! USER MOD Single : B 41 SER OG : rot 180:sc= -0.611! USER MOD Single : B 44 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.44) USER MOD Single : B 46 SER OG : rot 59:sc= -4.26! USER MOD Single : B 47 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.21) USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 50 ASN : amide:sc= -0.0664 K(o=-0.066,f=-0.57) USER MOD Single : B 52 SER OG : rot 153:sc= -2.29! USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 55 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.8!) USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 58 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-1.4!) USER MOD Single : B 59 GLN :FLIP amide:sc= -1.55 F(o=-4.7!,f=-1.5) USER MOD Single : B 61 LYS NZ :NH3+ -158:sc= -0.541 (180deg=-1.47!) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot -44:sc= -1.3 USER MOD Single : B 67 HIS : no HD1:sc= -0.735! C(o=-0.73!,f=-1.6!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : B 77 SER OG : rot 180:sc= -0.0065 USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 80 TYR OH : rot 180:sc= -1.01 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 89 THR OG1 : rot -13:sc= 0.557 USER MOD Single : B 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : B 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : B 97 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 11 -11.964 -7.407 0.357 1.00 1.83 N ATOM 30 CA ASP A 11 -11.239 -7.453 -0.907 1.00 1.82 C ATOM 31 C ASP A 11 -11.473 -6.175 -1.706 1.00 1.65 C ATOM 32 O ASP A 11 -10.583 -5.701 -2.412 1.00 1.72 O ATOM 33 CB ASP A 11 -11.695 -8.661 -1.727 1.00 2.22 C ATOM 34 CG ASP A 11 -10.715 -8.916 -2.867 1.00 2.84 C ATOM 35 OD1 ASP A 11 -9.579 -8.487 -2.753 1.00 3.20 O ATOM 36 OD2 ASP A 11 -11.116 -9.537 -3.838 1.00 3.55 O ATOM 0 HA ASP A 11 -10.174 -7.542 -0.691 1.00 1.82 H new ATOM 0 HB2 ASP A 11 -11.760 -9.542 -1.088 1.00 2.22 H new ATOM 0 HB3 ASP A 11 -12.693 -8.484 -2.127 1.00 2.22 H new ATOM 41 N THR A 12 -12.677 -5.624 -1.592 1.00 1.62 N ATOM 42 CA THR A 12 -13.017 -4.401 -2.309 1.00 1.58 C ATOM 43 C THR A 12 -12.480 -3.179 -1.572 1.00 1.34 C ATOM 44 O THR A 12 -11.883 -2.289 -2.178 1.00 1.28 O ATOM 45 CB THR A 12 -14.536 -4.286 -2.451 1.00 1.80 C ATOM 46 OG1 THR A 12 -15.163 -5.268 -1.639 1.00 2.43 O ATOM 47 CG2 THR A 12 -14.931 -4.505 -3.913 1.00 2.03 C ATOM 0 H THR A 12 -13.428 -6.002 -1.015 1.00 1.62 H new ATOM 0 HA THR A 12 -12.560 -4.443 -3.298 1.00 1.58 H new ATOM 0 HB THR A 12 -14.856 -3.293 -2.134 1.00 1.80 H new ATOM 0 HG1 THR A 12 -16.136 -5.194 -1.728 1.00 2.43 H new ATOM 0 HG21 THR A 12 -16.013 -4.423 -4.014 1.00 2.03 H new ATOM 0 HG22 THR A 12 -14.450 -3.751 -4.537 1.00 2.03 H new ATOM 0 HG23 THR A 12 -14.611 -5.497 -4.232 1.00 2.03 H new ATOM 55 N LEU A 13 -12.697 -3.143 -0.261 1.00 1.30 N ATOM 56 CA LEU A 13 -12.229 -2.024 0.549 1.00 1.18 C ATOM 57 C LEU A 13 -10.706 -2.006 0.611 1.00 1.07 C ATOM 58 O LEU A 13 -10.078 -0.970 0.393 1.00 1.05 O ATOM 59 CB LEU A 13 -12.797 -2.133 1.966 1.00 1.30 C ATOM 60 CG LEU A 13 -13.908 -1.097 2.151 1.00 1.24 C ATOM 61 CD1 LEU A 13 -14.669 -1.392 3.445 1.00 1.39 C ATOM 62 CD2 LEU A 13 -13.292 0.301 2.229 1.00 1.94 C ATOM 0 H LEU A 13 -13.190 -3.869 0.259 1.00 1.30 H new ATOM 0 HA LEU A 13 -12.573 -1.098 0.088 1.00 1.18 H new ATOM 0 HB2 LEU A 13 -13.188 -3.136 2.136 1.00 1.30 H new ATOM 0 HB3 LEU A 13 -12.007 -1.970 2.699 1.00 1.30 H new ATOM 0 HG LEU A 13 -14.595 -1.145 1.306 1.00 1.24 H new ATOM 0 HD11 LEU A 13 -15.461 -0.655 3.578 1.00 1.39 H new ATOM 0 HD12 LEU A 13 -15.107 -2.389 3.390 1.00 1.39 H new ATOM 0 HD13 LEU A 13 -13.982 -1.343 4.290 1.00 1.39 H new ATOM 0 HD21 LEU A 13 -14.082 1.040 2.361 1.00 1.94 H new ATOM 0 HD22 LEU A 13 -12.605 0.349 3.074 1.00 1.94 H new ATOM 0 HD23 LEU A 13 -12.749 0.511 1.308 1.00 1.94 H new ATOM 74 N GLU A 14 -10.117 -3.159 0.911 1.00 1.09 N ATOM 75 CA GLU A 14 -8.665 -3.264 0.999 1.00 1.08 C ATOM 76 C GLU A 14 -8.000 -2.443 -0.101 1.00 1.01 C ATOM 77 O GLU A 14 -6.919 -1.886 0.095 1.00 1.03 O ATOM 78 CB GLU A 14 -8.240 -4.728 0.871 1.00 1.21 C ATOM 79 CG GLU A 14 -6.802 -4.886 1.369 1.00 1.71 C ATOM 80 CD GLU A 14 -6.604 -6.280 1.955 1.00 2.08 C ATOM 81 OE1 GLU A 14 -6.817 -7.241 1.234 1.00 2.62 O ATOM 82 OE2 GLU A 14 -6.242 -6.367 3.117 1.00 2.63 O ATOM 0 H GLU A 14 -10.618 -4.028 1.096 1.00 1.09 H new ATOM 0 HA GLU A 14 -8.350 -2.876 1.968 1.00 1.08 H new ATOM 0 HB2 GLU A 14 -8.909 -5.364 1.450 1.00 1.21 H new ATOM 0 HB3 GLU A 14 -8.314 -5.050 -0.168 1.00 1.21 H new ATOM 0 HG2 GLU A 14 -6.104 -4.725 0.547 1.00 1.71 H new ATOM 0 HG3 GLU A 14 -6.585 -4.131 2.124 1.00 1.71 H new ATOM 89 N ARG A 15 -8.653 -2.371 -1.256 1.00 1.04 N ATOM 90 CA ARG A 15 -8.115 -1.614 -2.380 1.00 1.03 C ATOM 91 C ARG A 15 -8.054 -0.127 -2.046 1.00 0.99 C ATOM 92 O ARG A 15 -6.975 0.464 -1.997 1.00 1.02 O ATOM 93 CB ARG A 15 -8.991 -1.824 -3.617 1.00 1.14 C ATOM 94 CG ARG A 15 -8.931 -3.293 -4.040 1.00 1.55 C ATOM 95 CD ARG A 15 -7.879 -3.465 -5.138 1.00 2.16 C ATOM 96 NE ARG A 15 -8.520 -3.533 -6.446 1.00 2.77 N ATOM 97 CZ ARG A 15 -8.420 -4.620 -7.204 1.00 3.54 C ATOM 98 NH1 ARG A 15 -7.740 -5.650 -6.781 1.00 3.88 N ATOM 99 NH2 ARG A 15 -9.002 -4.657 -8.372 1.00 4.35 N ATOM 0 H ARG A 15 -9.549 -2.824 -1.438 1.00 1.04 H new ATOM 0 HA ARG A 15 -7.105 -1.971 -2.583 1.00 1.03 H new ATOM 0 HB2 ARG A 15 -10.020 -1.539 -3.400 1.00 1.14 H new ATOM 0 HB3 ARG A 15 -8.648 -1.186 -4.431 1.00 1.14 H new ATOM 0 HG2 ARG A 15 -8.684 -3.919 -3.183 1.00 1.55 H new ATOM 0 HG3 ARG A 15 -9.906 -3.619 -4.402 1.00 1.55 H new ATOM 0 HD2 ARG A 15 -7.177 -2.632 -5.112 1.00 2.16 H new ATOM 0 HD3 ARG A 15 -7.303 -4.373 -4.960 1.00 2.16 H new ATOM 0 HE ARG A 15 -9.054 -2.733 -6.785 1.00 2.77 H new ATOM 0 HH11 ARG A 15 -7.285 -5.621 -5.868 1.00 3.88 H new ATOM 0 HH12 ARG A 15 -7.663 -6.484 -7.363 1.00 3.88 H new ATOM 0 HH21 ARG A 15 -9.533 -3.852 -8.703 1.00 4.35 H new ATOM 0 HH22 ARG A 15 -8.925 -5.491 -8.954 1.00 4.35 H new ATOM 113 N VAL A 16 -9.218 0.471 -1.817 1.00 0.99 N ATOM 114 CA VAL A 16 -9.285 1.890 -1.488 1.00 1.00 C ATOM 115 C VAL A 16 -8.294 2.231 -0.379 1.00 0.93 C ATOM 116 O VAL A 16 -7.855 3.374 -0.256 1.00 0.94 O ATOM 117 CB VAL A 16 -10.701 2.255 -1.039 1.00 1.09 C ATOM 118 CG1 VAL A 16 -11.096 3.604 -1.643 1.00 1.15 C ATOM 119 CG2 VAL A 16 -11.679 1.178 -1.511 1.00 1.67 C ATOM 0 H VAL A 16 -10.122 -0.001 -1.853 1.00 0.99 H new ATOM 0 HA VAL A 16 -9.027 2.463 -2.379 1.00 1.00 H new ATOM 0 HB VAL A 16 -10.732 2.322 0.049 1.00 1.09 H new ATOM 0 HG11 VAL A 16 -12.105 3.864 -1.323 1.00 1.15 H new ATOM 0 HG12 VAL A 16 -10.399 4.372 -1.306 1.00 1.15 H new ATOM 0 HG13 VAL A 16 -11.066 3.539 -2.731 1.00 1.15 H new ATOM 0 HG21 VAL A 16 -12.688 1.438 -1.191 1.00 1.67 H new ATOM 0 HG22 VAL A 16 -11.649 1.111 -2.598 1.00 1.67 H new ATOM 0 HG23 VAL A 16 -11.398 0.217 -1.080 1.00 1.67 H new ATOM 129 N THR A 17 -7.947 1.232 0.425 1.00 0.91 N ATOM 130 CA THR A 17 -7.008 1.438 1.521 1.00 0.91 C ATOM 131 C THR A 17 -5.584 1.570 0.990 1.00 0.92 C ATOM 132 O THR A 17 -4.775 2.320 1.534 1.00 0.97 O ATOM 133 CB THR A 17 -7.082 0.263 2.499 1.00 0.96 C ATOM 134 OG1 THR A 17 -8.192 -0.558 2.168 1.00 1.54 O ATOM 135 CG2 THR A 17 -7.247 0.795 3.924 1.00 1.11 C ATOM 0 H THR A 17 -8.299 0.278 0.340 1.00 0.91 H new ATOM 0 HA THR A 17 -7.278 2.359 2.037 1.00 0.91 H new ATOM 0 HB THR A 17 -6.165 -0.323 2.434 1.00 0.96 H new ATOM 0 HG1 THR A 17 -8.496 -1.035 2.968 1.00 1.54 H new ATOM 0 HG21 THR A 17 -7.300 -0.042 4.621 1.00 1.11 H new ATOM 0 HG22 THR A 17 -6.395 1.426 4.178 1.00 1.11 H new ATOM 0 HG23 THR A 17 -8.164 1.380 3.990 1.00 1.11 H new ATOM 143 N GLU A 18 -5.286 0.835 -0.077 1.00 0.93 N ATOM 144 CA GLU A 18 -3.956 0.878 -0.674 1.00 0.98 C ATOM 145 C GLU A 18 -3.686 2.249 -1.284 1.00 0.95 C ATOM 146 O GLU A 18 -2.579 2.778 -1.181 1.00 1.00 O ATOM 147 CB GLU A 18 -3.836 -0.196 -1.757 1.00 1.04 C ATOM 148 CG GLU A 18 -2.450 -0.841 -1.684 1.00 1.64 C ATOM 149 CD GLU A 18 -2.302 -1.882 -2.788 1.00 2.09 C ATOM 150 OE1 GLU A 18 -2.482 -1.524 -3.941 1.00 2.56 O ATOM 151 OE2 GLU A 18 -2.010 -3.022 -2.466 1.00 2.65 O ATOM 0 H GLU A 18 -5.942 0.207 -0.543 1.00 0.93 H new ATOM 0 HA GLU A 18 -3.221 0.690 0.108 1.00 0.98 H new ATOM 0 HB2 GLU A 18 -4.609 -0.953 -1.621 1.00 1.04 H new ATOM 0 HB3 GLU A 18 -3.992 0.246 -2.741 1.00 1.04 H new ATOM 0 HG2 GLU A 18 -1.679 -0.078 -1.786 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -2.308 -1.309 -0.710 1.00 1.64 H new ATOM 158 N ILE A 19 -4.704 2.820 -1.919 1.00 0.93 N ATOM 159 CA ILE A 19 -4.565 4.130 -2.543 1.00 0.95 C ATOM 160 C ILE A 19 -4.134 5.171 -1.514 1.00 0.94 C ATOM 161 O ILE A 19 -3.025 5.701 -1.581 1.00 1.00 O ATOM 162 CB ILE A 19 -5.894 4.553 -3.171 1.00 0.99 C ATOM 163 CG1 ILE A 19 -6.428 3.417 -4.045 1.00 1.24 C ATOM 164 CG2 ILE A 19 -5.677 5.810 -4.037 1.00 1.50 C ATOM 165 CD1 ILE A 19 -7.721 3.865 -4.731 1.00 1.40 C ATOM 0 H ILE A 19 -5.628 2.399 -2.015 1.00 0.93 H new ATOM 0 HA ILE A 19 -3.801 4.063 -3.318 1.00 0.95 H new ATOM 0 HB ILE A 19 -6.614 4.775 -2.383 1.00 0.99 H new ATOM 0 HG12 ILE A 19 -5.685 3.139 -4.792 1.00 1.24 H new ATOM 0 HG13 ILE A 19 -6.614 2.532 -3.436 1.00 1.24 H new ATOM 0 HG21 ILE A 19 -6.624 6.111 -4.485 1.00 1.50 H new ATOM 0 HG22 ILE A 19 -5.296 6.619 -3.414 1.00 1.50 H new ATOM 0 HG23 ILE A 19 -4.957 5.589 -4.825 1.00 1.50 H new ATOM 0 HD11 ILE A 19 -8.102 3.056 -5.354 1.00 1.40 H new ATOM 0 HD12 ILE A 19 -8.464 4.122 -3.976 1.00 1.40 H new ATOM 0 HD13 ILE A 19 -7.520 4.737 -5.353 1.00 1.40 H new ATOM 177 N PHE A 20 -5.017 5.457 -0.564 1.00 0.91 N ATOM 178 CA PHE A 20 -4.717 6.436 0.474 1.00 0.93 C ATOM 179 C PHE A 20 -3.400 6.100 1.165 1.00 0.94 C ATOM 180 O PHE A 20 -2.614 6.989 1.491 1.00 0.96 O ATOM 181 CB PHE A 20 -5.844 6.461 1.509 1.00 0.95 C ATOM 182 CG PHE A 20 -7.133 6.877 0.840 1.00 0.96 C ATOM 183 CD1 PHE A 20 -7.254 8.159 0.289 1.00 0.98 C ATOM 184 CD2 PHE A 20 -8.206 5.981 0.769 1.00 1.01 C ATOM 185 CE1 PHE A 20 -8.448 8.544 -0.331 1.00 1.07 C ATOM 186 CE2 PHE A 20 -9.400 6.366 0.149 1.00 1.07 C ATOM 187 CZ PHE A 20 -9.521 7.648 -0.401 1.00 1.10 C ATOM 0 H PHE A 20 -5.940 5.029 -0.491 1.00 0.91 H new ATOM 0 HA PHE A 20 -4.629 7.417 0.006 1.00 0.93 H new ATOM 0 HB2 PHE A 20 -5.958 5.476 1.962 1.00 0.95 H new ATOM 0 HB3 PHE A 20 -5.599 7.155 2.313 1.00 0.95 H new ATOM 0 HD1 PHE A 20 -6.426 8.850 0.343 1.00 0.98 H new ATOM 0 HD2 PHE A 20 -8.112 4.992 1.193 1.00 1.01 H new ATOM 0 HE1 PHE A 20 -8.542 9.533 -0.756 1.00 1.07 H new ATOM 0 HE2 PHE A 20 -10.228 5.675 0.095 1.00 1.07 H new ATOM 0 HZ PHE A 20 -10.442 7.945 -0.879 1.00 1.10 H new ATOM 197 N LYS A 21 -3.165 4.810 1.384 1.00 0.95 N ATOM 198 CA LYS A 21 -1.938 4.367 2.036 1.00 1.02 C ATOM 199 C LYS A 21 -0.719 4.746 1.201 1.00 1.02 C ATOM 200 O LYS A 21 0.333 5.086 1.741 1.00 1.11 O ATOM 201 CB LYS A 21 -1.971 2.851 2.235 1.00 1.11 C ATOM 202 CG LYS A 21 -1.208 2.486 3.509 1.00 1.49 C ATOM 203 CD LYS A 21 -1.542 1.048 3.910 1.00 1.65 C ATOM 204 CE LYS A 21 -0.724 0.659 5.143 1.00 2.29 C ATOM 205 NZ LYS A 21 0.567 0.027 4.709 1.00 2.93 N ATOM 0 H LYS A 21 -3.803 4.058 1.122 1.00 0.95 H new ATOM 0 HA LYS A 21 -1.866 4.860 3.006 1.00 1.02 H new ATOM 0 HB2 LYS A 21 -3.002 2.505 2.305 1.00 1.11 H new ATOM 0 HB3 LYS A 21 -1.525 2.351 1.375 1.00 1.11 H new ATOM 0 HG2 LYS A 21 -0.135 2.589 3.345 1.00 1.49 H new ATOM 0 HG3 LYS A 21 -1.475 3.171 4.314 1.00 1.49 H new ATOM 0 HD2 LYS A 21 -2.607 0.957 4.123 1.00 1.65 H new ATOM 0 HD3 LYS A 21 -1.323 0.369 3.086 1.00 1.65 H new ATOM 0 HE2 LYS A 21 -0.523 1.540 5.752 1.00 2.29 H new ATOM 0 HE3 LYS A 21 -1.290 -0.035 5.764 1.00 2.29 H new ATOM 0 HZ1 LYS A 21 1.123 -0.237 5.547 1.00 2.93 H new ATOM 0 HZ2 LYS A 21 0.365 -0.823 4.145 1.00 2.93 H new ATOM 0 HZ3 LYS A 21 1.108 0.703 4.134 1.00 2.93 H new ATOM 219 N ALA A 22 -0.870 4.684 -0.118 1.00 1.01 N ATOM 220 CA ALA A 22 0.226 5.022 -1.018 1.00 1.06 C ATOM 221 C ALA A 22 0.848 6.359 -0.628 1.00 1.01 C ATOM 222 O ALA A 22 2.070 6.496 -0.579 1.00 1.05 O ATOM 223 CB ALA A 22 -0.286 5.097 -2.458 1.00 1.12 C ATOM 0 H ALA A 22 -1.733 4.405 -0.584 1.00 1.01 H new ATOM 0 HA ALA A 22 0.986 4.245 -0.942 1.00 1.06 H new ATOM 0 HB1 ALA A 22 0.538 5.350 -3.125 1.00 1.12 H new ATOM 0 HB2 ALA A 22 -0.703 4.132 -2.747 1.00 1.12 H new ATOM 0 HB3 ALA A 22 -1.059 5.862 -2.530 1.00 1.12 H new ATOM 229 N LEU A 23 -0.002 7.343 -0.352 1.00 0.99 N ATOM 230 CA LEU A 23 0.475 8.666 0.033 1.00 1.07 C ATOM 231 C LEU A 23 1.513 8.559 1.145 1.00 1.08 C ATOM 232 O LEU A 23 1.572 7.558 1.859 1.00 1.44 O ATOM 233 CB LEU A 23 -0.698 9.525 0.509 1.00 1.23 C ATOM 234 CG LEU A 23 -1.736 9.635 -0.609 1.00 1.40 C ATOM 235 CD1 LEU A 23 -2.833 10.618 -0.192 1.00 1.88 C ATOM 236 CD2 LEU A 23 -1.060 10.139 -1.886 1.00 1.76 C ATOM 0 H LEU A 23 -1.017 7.251 -0.387 1.00 0.99 H new ATOM 0 HA LEU A 23 0.938 9.132 -0.837 1.00 1.07 H new ATOM 0 HB2 LEU A 23 -1.150 9.083 1.397 1.00 1.23 H new ATOM 0 HB3 LEU A 23 -0.345 10.517 0.791 1.00 1.23 H new ATOM 0 HG LEU A 23 -2.176 8.655 -0.793 1.00 1.40 H new ATOM 0 HD11 LEU A 23 -3.573 10.697 -0.988 1.00 1.88 H new ATOM 0 HD12 LEU A 23 -3.316 10.260 0.718 1.00 1.88 H new ATOM 0 HD13 LEU A 23 -2.393 11.598 -0.008 1.00 1.88 H new ATOM 0 HD21 LEU A 23 -1.800 10.217 -2.683 1.00 1.76 H new ATOM 0 HD22 LEU A 23 -0.620 11.119 -1.702 1.00 1.76 H new ATOM 0 HD23 LEU A 23 -0.278 9.440 -2.184 1.00 1.76 H new ATOM 248 N GLY A 24 2.330 9.598 1.287 1.00 1.15 N ATOM 249 CA GLY A 24 3.363 9.610 2.316 1.00 1.27 C ATOM 250 C GLY A 24 3.770 11.039 2.661 1.00 1.23 C ATOM 251 O GLY A 24 3.082 11.725 3.418 1.00 1.85 O ATOM 0 H GLY A 24 2.297 10.437 0.707 1.00 1.15 H new ATOM 0 HA2 GLY A 24 2.997 9.106 3.210 1.00 1.27 H new ATOM 0 HA3 GLY A 24 4.234 9.053 1.970 1.00 1.27 H new ATOM 255 N ASP A 25 4.891 11.481 2.102 1.00 1.26 N ATOM 256 CA ASP A 25 5.380 12.830 2.358 1.00 1.26 C ATOM 257 C ASP A 25 4.646 13.842 1.485 1.00 1.05 C ATOM 258 O ASP A 25 4.162 13.507 0.403 1.00 1.30 O ATOM 259 CB ASP A 25 6.882 12.904 2.074 1.00 1.66 C ATOM 260 CG ASP A 25 7.638 11.986 3.029 1.00 2.30 C ATOM 261 OD1 ASP A 25 7.187 11.831 4.152 1.00 2.78 O ATOM 262 OD2 ASP A 25 8.658 11.453 2.624 1.00 2.90 O ATOM 0 H ASP A 25 5.474 10.929 1.473 1.00 1.26 H new ATOM 0 HA ASP A 25 5.195 13.069 3.405 1.00 1.26 H new ATOM 0 HB2 ASP A 25 7.080 12.613 1.043 1.00 1.66 H new ATOM 0 HB3 ASP A 25 7.232 13.930 2.188 1.00 1.66 H new ATOM 267 N TYR A 26 4.567 15.080 1.961 1.00 1.06 N ATOM 268 CA TYR A 26 3.889 16.133 1.214 1.00 1.03 C ATOM 269 C TYR A 26 4.665 16.477 -0.053 1.00 0.87 C ATOM 270 O TYR A 26 4.103 16.502 -1.149 1.00 0.97 O ATOM 271 CB TYR A 26 3.752 17.384 2.084 1.00 1.38 C ATOM 272 CG TYR A 26 3.604 16.977 3.531 1.00 1.70 C ATOM 273 CD1 TYR A 26 4.742 16.725 4.307 1.00 1.96 C ATOM 274 CD2 TYR A 26 2.330 16.852 4.096 1.00 2.66 C ATOM 275 CE1 TYR A 26 4.605 16.347 5.648 1.00 2.72 C ATOM 276 CE2 TYR A 26 2.193 16.475 5.438 1.00 3.45 C ATOM 277 CZ TYR A 26 3.330 16.222 6.213 1.00 3.35 C ATOM 278 OH TYR A 26 3.195 15.850 7.535 1.00 4.30 O ATOM 0 H TYR A 26 4.961 15.377 2.854 1.00 1.06 H new ATOM 0 HA TYR A 26 2.899 15.773 0.934 1.00 1.03 H new ATOM 0 HB2 TYR A 26 4.627 18.022 1.962 1.00 1.38 H new ATOM 0 HB3 TYR A 26 2.886 17.966 1.769 1.00 1.38 H new ATOM 0 HD1 TYR A 26 5.725 16.822 3.871 1.00 1.96 H new ATOM 0 HD2 TYR A 26 1.452 17.046 3.497 1.00 2.66 H new ATOM 0 HE1 TYR A 26 5.483 16.152 6.247 1.00 2.72 H new ATOM 0 HE2 TYR A 26 1.210 16.380 5.874 1.00 3.45 H new ATOM 0 HH TYR A 26 2.244 15.811 7.768 1.00 4.30 H new ATOM 288 N ASN A 27 5.958 16.741 0.103 1.00 0.83 N ATOM 289 CA ASN A 27 6.801 17.082 -1.036 1.00 0.89 C ATOM 290 C ASN A 27 6.408 16.261 -2.260 1.00 0.89 C ATOM 291 O ASN A 27 6.699 16.641 -3.394 1.00 1.01 O ATOM 292 CB ASN A 27 8.269 16.820 -0.695 1.00 1.14 C ATOM 293 CG ASN A 27 8.694 17.692 0.482 1.00 1.75 C ATOM 294 OD1 ASN A 27 8.381 18.882 0.519 1.00 2.40 O ATOM 295 ND2 ASN A 27 9.394 17.168 1.451 1.00 2.46 N ATOM 0 H ASN A 27 6.442 16.726 1.001 1.00 0.83 H new ATOM 0 HA ASN A 27 6.662 18.139 -1.262 1.00 0.89 H new ATOM 0 HB2 ASN A 27 8.412 15.768 -0.449 1.00 1.14 H new ATOM 0 HB3 ASN A 27 8.896 17.033 -1.561 1.00 1.14 H new ATOM 0 HD21 ASN A 27 9.683 17.745 2.241 1.00 2.46 H new ATOM 0 HD22 ASN A 27 9.652 16.182 1.418 1.00 2.46 H new ATOM 302 N ARG A 28 5.745 15.134 -2.022 1.00 0.87 N ATOM 303 CA ARG A 28 5.316 14.267 -3.113 1.00 1.05 C ATOM 304 C ARG A 28 4.510 15.055 -4.140 1.00 1.01 C ATOM 305 O ARG A 28 4.916 15.185 -5.294 1.00 1.18 O ATOM 306 CB ARG A 28 4.464 13.121 -2.564 1.00 1.22 C ATOM 307 CG ARG A 28 5.052 11.784 -3.020 1.00 2.03 C ATOM 308 CD ARG A 28 4.853 10.738 -1.921 1.00 2.61 C ATOM 309 NE ARG A 28 4.301 9.512 -2.485 1.00 3.36 N ATOM 310 CZ ARG A 28 3.321 9.548 -3.382 1.00 4.10 C ATOM 311 NH1 ARG A 28 2.837 10.695 -3.774 1.00 4.32 N ATOM 312 NH2 ARG A 28 2.844 8.436 -3.872 1.00 4.97 N ATOM 0 H ARG A 28 5.495 14.802 -1.091 1.00 0.87 H new ATOM 0 HA ARG A 28 6.203 13.861 -3.599 1.00 1.05 H new ATOM 0 HB2 ARG A 28 4.434 13.165 -1.475 1.00 1.22 H new ATOM 0 HB3 ARG A 28 3.437 13.217 -2.915 1.00 1.22 H new ATOM 0 HG2 ARG A 28 4.568 11.457 -3.940 1.00 2.03 H new ATOM 0 HG3 ARG A 28 6.113 11.898 -3.241 1.00 2.03 H new ATOM 0 HD2 ARG A 28 5.805 10.526 -1.434 1.00 2.61 H new ATOM 0 HD3 ARG A 28 4.183 11.128 -1.155 1.00 2.61 H new ATOM 0 HE ARG A 28 4.674 8.611 -2.186 1.00 3.36 H new ATOM 0 HH11 ARG A 28 3.211 11.564 -3.392 1.00 4.32 H new ATOM 0 HH12 ARG A 28 2.085 10.723 -4.462 1.00 4.32 H new ATOM 0 HH21 ARG A 28 3.223 7.540 -3.566 1.00 4.97 H new ATOM 0 HH22 ARG A 28 2.092 8.463 -4.560 1.00 4.97 H new ATOM 326 N ILE A 29 3.366 15.578 -3.711 1.00 0.88 N ATOM 327 CA ILE A 29 2.510 16.352 -4.603 1.00 0.89 C ATOM 328 C ILE A 29 3.339 17.334 -5.424 1.00 0.85 C ATOM 329 O ILE A 29 3.185 17.426 -6.642 1.00 0.88 O ATOM 330 CB ILE A 29 1.467 17.120 -3.788 1.00 0.88 C ATOM 331 CG1 ILE A 29 0.508 16.129 -3.125 1.00 1.15 C ATOM 332 CG2 ILE A 29 0.680 18.049 -4.714 1.00 1.53 C ATOM 333 CD1 ILE A 29 -0.817 16.829 -2.819 1.00 1.35 C ATOM 0 H ILE A 29 3.012 15.481 -2.759 1.00 0.88 H new ATOM 0 HA ILE A 29 2.007 15.663 -5.282 1.00 0.89 H new ATOM 0 HB ILE A 29 1.968 17.710 -3.021 1.00 0.88 H new ATOM 0 HG12 ILE A 29 0.338 15.276 -3.782 1.00 1.15 H new ATOM 0 HG13 ILE A 29 0.947 15.741 -2.206 1.00 1.15 H new ATOM 0 HG21 ILE A 29 -0.063 18.596 -4.134 1.00 1.53 H new ATOM 0 HG22 ILE A 29 1.363 18.755 -5.187 1.00 1.53 H new ATOM 0 HG23 ILE A 29 0.179 17.459 -5.481 1.00 1.53 H new ATOM 0 HD11 ILE A 29 -1.501 16.124 -2.347 1.00 1.35 H new ATOM 0 HD12 ILE A 29 -0.639 17.667 -2.146 1.00 1.35 H new ATOM 0 HD13 ILE A 29 -1.257 17.196 -3.746 1.00 1.35 H new ATOM 345 N ARG A 30 4.219 18.067 -4.749 1.00 0.84 N ATOM 346 CA ARG A 30 5.068 19.040 -5.427 1.00 0.86 C ATOM 347 C ARG A 30 5.737 18.412 -6.645 1.00 0.82 C ATOM 348 O ARG A 30 5.461 18.793 -7.782 1.00 0.85 O ATOM 349 CB ARG A 30 6.139 19.557 -4.464 1.00 0.92 C ATOM 350 CG ARG A 30 5.615 20.796 -3.736 1.00 1.17 C ATOM 351 CD ARG A 30 6.542 21.129 -2.565 1.00 1.19 C ATOM 352 NE ARG A 30 7.343 22.307 -2.873 1.00 1.91 N ATOM 353 CZ ARG A 30 8.213 22.795 -1.995 1.00 2.48 C ATOM 354 NH1 ARG A 30 8.361 22.219 -0.834 1.00 2.64 N ATOM 355 NH2 ARG A 30 8.920 23.851 -2.294 1.00 3.43 N ATOM 0 H ARG A 30 4.362 18.007 -3.741 1.00 0.84 H new ATOM 0 HA ARG A 30 4.444 19.870 -5.758 1.00 0.86 H new ATOM 0 HB2 ARG A 30 6.400 18.782 -3.743 1.00 0.92 H new ATOM 0 HB3 ARG A 30 7.049 19.802 -5.012 1.00 0.92 H new ATOM 0 HG2 ARG A 30 5.562 21.640 -4.424 1.00 1.17 H new ATOM 0 HG3 ARG A 30 4.603 20.617 -3.373 1.00 1.17 H new ATOM 0 HD2 ARG A 30 5.953 21.306 -1.665 1.00 1.19 H new ATOM 0 HD3 ARG A 30 7.195 20.281 -2.357 1.00 1.19 H new ATOM 0 HE ARG A 30 7.234 22.765 -3.778 1.00 1.91 H new ATOM 0 HH11 ARG A 30 7.809 21.394 -0.600 1.00 2.64 H new ATOM 0 HH12 ARG A 30 9.029 22.594 -0.160 1.00 2.64 H new ATOM 0 HH21 ARG A 30 8.805 24.302 -3.202 1.00 3.43 H new ATOM 0 HH22 ARG A 30 9.588 24.225 -1.620 1.00 3.43 H new ATOM 369 N ILE A 31 6.618 17.447 -6.398 1.00 0.89 N ATOM 370 CA ILE A 31 7.321 16.773 -7.483 1.00 0.91 C ATOM 371 C ILE A 31 6.344 16.356 -8.578 1.00 0.87 C ATOM 372 O ILE A 31 6.598 16.571 -9.764 1.00 0.94 O ATOM 373 CB ILE A 31 8.045 15.537 -6.946 1.00 1.04 C ATOM 374 CG1 ILE A 31 9.307 15.970 -6.199 1.00 1.34 C ATOM 375 CG2 ILE A 31 8.430 14.625 -8.113 1.00 1.74 C ATOM 376 CD1 ILE A 31 10.114 14.732 -5.801 1.00 1.21 C ATOM 0 H ILE A 31 6.860 17.117 -5.464 1.00 0.89 H new ATOM 0 HA ILE A 31 8.048 17.466 -7.906 1.00 0.91 H new ATOM 0 HB ILE A 31 7.387 14.997 -6.265 1.00 1.04 H new ATOM 0 HG12 ILE A 31 9.910 16.623 -6.830 1.00 1.34 H new ATOM 0 HG13 ILE A 31 9.039 16.543 -5.312 1.00 1.34 H new ATOM 0 HG21 ILE A 31 8.946 13.744 -7.731 1.00 1.74 H new ATOM 0 HG22 ILE A 31 7.531 14.316 -8.646 1.00 1.74 H new ATOM 0 HG23 ILE A 31 9.088 15.164 -8.794 1.00 1.74 H new ATOM 0 HD11 ILE A 31 11.014 15.040 -5.268 1.00 1.21 H new ATOM 0 HD12 ILE A 31 9.509 14.096 -5.154 1.00 1.21 H new ATOM 0 HD13 ILE A 31 10.394 14.177 -6.696 1.00 1.21 H new ATOM 388 N MET A 32 5.228 15.760 -8.173 1.00 0.85 N ATOM 389 CA MET A 32 4.220 15.317 -9.129 1.00 0.92 C ATOM 390 C MET A 32 3.806 16.466 -10.043 1.00 0.90 C ATOM 391 O MET A 32 3.614 16.278 -11.244 1.00 0.97 O ATOM 392 CB MET A 32 2.992 14.788 -8.385 1.00 0.98 C ATOM 393 CG MET A 32 2.653 13.386 -8.893 1.00 1.36 C ATOM 394 SD MET A 32 1.051 12.873 -8.224 1.00 1.87 S ATOM 395 CE MET A 32 0.814 11.428 -9.288 1.00 2.13 C ATOM 0 H MET A 32 4.999 15.573 -7.197 1.00 0.85 H new ATOM 0 HA MET A 32 4.649 14.520 -9.737 1.00 0.92 H new ATOM 0 HB2 MET A 32 3.187 14.761 -7.313 1.00 0.98 H new ATOM 0 HB3 MET A 32 2.145 15.457 -8.538 1.00 0.98 H new ATOM 0 HG2 MET A 32 2.623 13.380 -9.983 1.00 1.36 H new ATOM 0 HG3 MET A 32 3.428 12.681 -8.591 1.00 1.36 H new ATOM 0 HE1 MET A 32 -0.133 10.947 -9.043 1.00 2.13 H new ATOM 0 HE2 MET A 32 0.802 11.743 -10.332 1.00 2.13 H new ATOM 0 HE3 MET A 32 1.630 10.723 -9.131 1.00 2.13 H new ATOM 405 N GLU A 33 3.671 17.655 -9.466 1.00 0.90 N ATOM 406 CA GLU A 33 3.279 18.828 -10.239 1.00 0.96 C ATOM 407 C GLU A 33 4.270 19.080 -11.371 1.00 0.98 C ATOM 408 O GLU A 33 3.889 19.141 -12.540 1.00 1.14 O ATOM 409 CB GLU A 33 3.220 20.056 -9.329 1.00 0.98 C ATOM 410 CG GLU A 33 1.905 20.802 -9.564 1.00 1.57 C ATOM 411 CD GLU A 33 1.782 21.964 -8.583 1.00 2.02 C ATOM 412 OE1 GLU A 33 2.301 21.844 -7.486 1.00 2.62 O ATOM 413 OE2 GLU A 33 1.171 22.956 -8.944 1.00 2.40 O ATOM 0 H GLU A 33 3.826 17.832 -8.473 1.00 0.90 H new ATOM 0 HA GLU A 33 2.294 18.645 -10.668 1.00 0.96 H new ATOM 0 HB2 GLU A 33 3.297 19.752 -8.285 1.00 0.98 H new ATOM 0 HB3 GLU A 33 4.065 20.714 -9.533 1.00 0.98 H new ATOM 0 HG2 GLU A 33 1.866 21.174 -10.588 1.00 1.57 H new ATOM 0 HG3 GLU A 33 1.063 20.120 -9.440 1.00 1.57 H new ATOM 420 N LEU A 34 5.542 19.226 -11.016 1.00 0.96 N ATOM 421 CA LEU A 34 6.579 19.472 -12.011 1.00 0.99 C ATOM 422 C LEU A 34 6.715 18.277 -12.949 1.00 0.95 C ATOM 423 O LEU A 34 7.061 18.433 -14.121 1.00 0.96 O ATOM 424 CB LEU A 34 7.917 19.731 -11.316 1.00 1.09 C ATOM 425 CG LEU A 34 8.933 20.241 -12.340 1.00 1.17 C ATOM 426 CD1 LEU A 34 8.282 21.314 -13.214 1.00 1.27 C ATOM 427 CD2 LEU A 34 10.136 20.840 -11.609 1.00 1.69 C ATOM 0 H LEU A 34 5.878 19.179 -10.054 1.00 0.96 H new ATOM 0 HA LEU A 34 6.296 20.348 -12.595 1.00 0.99 H new ATOM 0 HB2 LEU A 34 7.789 20.463 -10.519 1.00 1.09 H new ATOM 0 HB3 LEU A 34 8.281 18.815 -10.852 1.00 1.09 H new ATOM 0 HG LEU A 34 9.264 19.413 -12.967 1.00 1.17 H new ATOM 0 HD11 LEU A 34 9.006 21.677 -13.944 1.00 1.27 H new ATOM 0 HD12 LEU A 34 7.424 20.888 -13.735 1.00 1.27 H new ATOM 0 HD13 LEU A 34 7.951 22.142 -12.587 1.00 1.27 H new ATOM 0 HD21 LEU A 34 10.860 21.204 -12.338 1.00 1.69 H new ATOM 0 HD22 LEU A 34 9.805 21.668 -10.982 1.00 1.69 H new ATOM 0 HD23 LEU A 34 10.601 20.076 -10.986 1.00 1.69 H new ATOM 439 N LEU A 35 6.442 17.086 -12.427 1.00 0.95 N ATOM 440 CA LEU A 35 6.538 15.872 -13.228 1.00 0.99 C ATOM 441 C LEU A 35 5.337 15.747 -14.159 1.00 0.99 C ATOM 442 O LEU A 35 5.363 14.982 -15.124 1.00 1.13 O ATOM 443 CB LEU A 35 6.604 14.648 -12.313 1.00 1.10 C ATOM 444 CG LEU A 35 7.798 13.777 -12.712 1.00 1.24 C ATOM 445 CD1 LEU A 35 7.461 13.004 -13.988 1.00 1.80 C ATOM 446 CD2 LEU A 35 9.017 14.667 -12.962 1.00 1.82 C ATOM 0 H LEU A 35 6.155 16.936 -11.460 1.00 0.95 H new ATOM 0 HA LEU A 35 7.445 15.927 -13.829 1.00 0.99 H new ATOM 0 HB2 LEU A 35 6.701 14.962 -11.274 1.00 1.10 H new ATOM 0 HB3 LEU A 35 5.680 14.074 -12.388 1.00 1.10 H new ATOM 0 HG LEU A 35 8.020 13.074 -11.909 1.00 1.24 H new ATOM 0 HD11 LEU A 35 8.311 12.384 -14.273 1.00 1.80 H new ATOM 0 HD12 LEU A 35 6.592 12.370 -13.811 1.00 1.80 H new ATOM 0 HD13 LEU A 35 7.240 13.707 -14.791 1.00 1.80 H new ATOM 0 HD21 LEU A 35 9.868 14.048 -13.246 1.00 1.82 H new ATOM 0 HD22 LEU A 35 8.796 15.370 -13.765 1.00 1.82 H new ATOM 0 HD23 LEU A 35 9.257 15.219 -12.053 1.00 1.82 H new ATOM 458 N SER A 36 4.284 16.504 -13.864 1.00 0.96 N ATOM 459 CA SER A 36 3.078 16.470 -14.683 1.00 1.03 C ATOM 460 C SER A 36 3.115 17.568 -15.739 1.00 1.05 C ATOM 461 O SER A 36 2.094 17.896 -16.344 1.00 1.16 O ATOM 462 CB SER A 36 1.843 16.652 -13.798 1.00 1.16 C ATOM 463 OG SER A 36 0.964 15.551 -13.980 1.00 1.90 O ATOM 0 H SER A 36 4.242 17.143 -13.070 1.00 0.96 H new ATOM 0 HA SER A 36 3.028 15.503 -15.184 1.00 1.03 H new ATOM 0 HB2 SER A 36 2.140 16.725 -12.752 1.00 1.16 H new ATOM 0 HB3 SER A 36 1.335 17.583 -14.051 1.00 1.16 H new ATOM 0 HG SER A 36 0.174 15.666 -13.412 1.00 1.90 H new ATOM 469 N VAL A 37 4.298 18.134 -15.956 1.00 1.08 N ATOM 470 CA VAL A 37 4.456 19.196 -16.943 1.00 1.30 C ATOM 471 C VAL A 37 5.701 18.959 -17.792 1.00 1.16 C ATOM 472 O VAL A 37 5.605 18.686 -18.988 1.00 1.65 O ATOM 473 CB VAL A 37 4.568 20.549 -16.239 1.00 1.86 C ATOM 474 CG1 VAL A 37 4.553 21.669 -17.281 1.00 2.16 C ATOM 475 CG2 VAL A 37 3.387 20.726 -15.283 1.00 2.56 C ATOM 0 H VAL A 37 5.155 17.878 -15.466 1.00 1.08 H new ATOM 0 HA VAL A 37 3.581 19.195 -17.593 1.00 1.30 H new ATOM 0 HB VAL A 37 5.500 20.589 -15.676 1.00 1.86 H new ATOM 0 HG11 VAL A 37 4.633 22.634 -16.780 1.00 2.16 H new ATOM 0 HG12 VAL A 37 5.395 21.543 -17.962 1.00 2.16 H new ATOM 0 HG13 VAL A 37 3.621 21.629 -17.845 1.00 2.16 H new ATOM 0 HG21 VAL A 37 3.467 21.690 -14.781 1.00 2.56 H new ATOM 0 HG22 VAL A 37 2.454 20.686 -15.846 1.00 2.56 H new ATOM 0 HG23 VAL A 37 3.397 19.928 -14.540 1.00 2.56 H new ATOM 485 N SER A 38 6.868 19.064 -17.165 1.00 1.15 N ATOM 486 CA SER A 38 8.126 18.859 -17.873 1.00 1.45 C ATOM 487 C SER A 38 8.880 17.668 -17.292 1.00 1.26 C ATOM 488 O SER A 38 8.726 17.335 -16.117 1.00 2.11 O ATOM 489 CB SER A 38 8.994 20.114 -17.768 1.00 2.22 C ATOM 490 OG SER A 38 9.168 20.678 -19.059 1.00 2.94 O ATOM 0 H SER A 38 6.969 19.288 -16.175 1.00 1.15 H new ATOM 0 HA SER A 38 7.903 18.657 -18.921 1.00 1.45 H new ATOM 0 HB2 SER A 38 8.525 20.839 -17.103 1.00 2.22 H new ATOM 0 HB3 SER A 38 9.963 19.864 -17.335 1.00 2.22 H new ATOM 0 HG SER A 38 9.723 21.483 -18.992 1.00 2.94 H new ATOM 496 N GLU A 39 9.697 17.029 -18.124 1.00 1.00 N ATOM 497 CA GLU A 39 10.470 15.875 -17.682 1.00 1.11 C ATOM 498 C GLU A 39 11.957 16.210 -17.638 1.00 1.01 C ATOM 499 O GLU A 39 12.521 16.702 -18.616 1.00 1.07 O ATOM 500 CB GLU A 39 10.240 14.697 -18.631 1.00 1.50 C ATOM 501 CG GLU A 39 8.939 14.915 -19.407 1.00 1.75 C ATOM 502 CD GLU A 39 8.873 13.959 -20.593 1.00 2.39 C ATOM 503 OE1 GLU A 39 9.815 13.942 -21.368 1.00 2.89 O ATOM 504 OE2 GLU A 39 7.882 13.257 -20.709 1.00 2.97 O ATOM 0 H GLU A 39 9.840 17.289 -19.100 1.00 1.00 H new ATOM 0 HA GLU A 39 10.140 15.604 -16.679 1.00 1.11 H new ATOM 0 HB2 GLU A 39 11.077 14.604 -19.322 1.00 1.50 H new ATOM 0 HB3 GLU A 39 10.188 13.766 -18.067 1.00 1.50 H new ATOM 0 HG2 GLU A 39 8.083 14.754 -18.751 1.00 1.75 H new ATOM 0 HG3 GLU A 39 8.883 15.946 -19.757 1.00 1.75 H new ATOM 511 N ALA A 40 12.587 15.941 -16.499 1.00 0.91 N ATOM 512 CA ALA A 40 14.009 16.219 -16.340 1.00 0.87 C ATOM 513 C ALA A 40 14.717 15.038 -15.685 1.00 0.82 C ATOM 514 O ALA A 40 14.111 13.993 -15.447 1.00 0.81 O ATOM 515 CB ALA A 40 14.203 17.471 -15.482 1.00 0.88 C ATOM 0 H ALA A 40 12.139 15.534 -15.678 1.00 0.91 H new ATOM 0 HA ALA A 40 14.440 16.384 -17.328 1.00 0.87 H new ATOM 0 HB1 ALA A 40 15.268 17.672 -15.368 1.00 0.88 H new ATOM 0 HB2 ALA A 40 13.723 18.322 -15.966 1.00 0.88 H new ATOM 0 HB3 ALA A 40 13.756 17.312 -14.500 1.00 0.88 H new ATOM 521 N SER A 41 16.002 15.211 -15.396 1.00 0.82 N ATOM 522 CA SER A 41 16.783 14.152 -14.768 1.00 0.81 C ATOM 523 C SER A 41 16.344 13.947 -13.321 1.00 0.81 C ATOM 524 O SER A 41 15.419 14.604 -12.845 1.00 0.80 O ATOM 525 CB SER A 41 18.270 14.508 -14.805 1.00 0.84 C ATOM 526 OG SER A 41 18.910 13.991 -13.647 1.00 1.54 O ATOM 0 H SER A 41 16.522 16.068 -15.585 1.00 0.82 H new ATOM 0 HA SER A 41 16.616 13.228 -15.321 1.00 0.81 H new ATOM 0 HB2 SER A 41 18.731 14.096 -15.703 1.00 0.84 H new ATOM 0 HB3 SER A 41 18.395 15.590 -14.850 1.00 0.84 H new ATOM 0 HG SER A 41 19.863 14.218 -13.671 1.00 1.54 H new ATOM 532 N VAL A 42 17.015 13.033 -12.628 1.00 0.85 N ATOM 533 CA VAL A 42 16.686 12.751 -11.236 1.00 0.89 C ATOM 534 C VAL A 42 17.208 13.857 -10.326 1.00 0.86 C ATOM 535 O VAL A 42 16.507 14.314 -9.423 1.00 0.86 O ATOM 536 CB VAL A 42 17.298 11.412 -10.817 1.00 1.00 C ATOM 537 CG1 VAL A 42 16.212 10.334 -10.815 1.00 1.80 C ATOM 538 CG2 VAL A 42 18.400 11.024 -11.804 1.00 1.31 C ATOM 0 H VAL A 42 17.784 12.479 -13.004 1.00 0.85 H new ATOM 0 HA VAL A 42 15.601 12.701 -11.142 1.00 0.89 H new ATOM 0 HB VAL A 42 17.722 11.503 -9.817 1.00 1.00 H new ATOM 0 HG11 VAL A 42 16.647 9.380 -10.517 1.00 1.80 H new ATOM 0 HG12 VAL A 42 15.426 10.610 -10.112 1.00 1.80 H new ATOM 0 HG13 VAL A 42 15.788 10.243 -11.815 1.00 1.80 H new ATOM 0 HG21 VAL A 42 18.836 10.071 -11.506 1.00 1.31 H new ATOM 0 HG22 VAL A 42 17.977 10.933 -12.804 1.00 1.31 H new ATOM 0 HG23 VAL A 42 19.174 11.792 -11.806 1.00 1.31 H new ATOM 548 N GLY A 43 18.443 14.283 -10.569 1.00 0.86 N ATOM 549 CA GLY A 43 19.050 15.337 -9.765 1.00 0.86 C ATOM 550 C GLY A 43 18.458 16.698 -10.116 1.00 0.78 C ATOM 551 O GLY A 43 17.685 17.267 -9.345 1.00 0.83 O ATOM 0 H GLY A 43 19.040 13.917 -11.311 1.00 0.86 H new ATOM 0 HA2 GLY A 43 18.892 15.129 -8.707 1.00 0.86 H new ATOM 0 HA3 GLY A 43 20.127 15.351 -9.930 1.00 0.86 H new ATOM 555 N HIS A 44 18.827 17.214 -11.284 1.00 0.72 N ATOM 556 CA HIS A 44 18.326 18.509 -11.728 1.00 0.71 C ATOM 557 C HIS A 44 17.026 18.857 -11.009 1.00 0.70 C ATOM 558 O HIS A 44 16.910 19.918 -10.396 1.00 0.74 O ATOM 559 CB HIS A 44 18.084 18.485 -13.238 1.00 0.78 C ATOM 560 CG HIS A 44 19.373 18.772 -13.957 1.00 1.28 C ATOM 561 ND1 HIS A 44 20.607 18.437 -13.423 1.00 2.21 N ATOM 562 CD2 HIS A 44 19.636 19.362 -15.169 1.00 1.94 C ATOM 563 CE1 HIS A 44 21.549 18.823 -14.304 1.00 2.78 C ATOM 564 NE2 HIS A 44 21.011 19.393 -15.385 1.00 2.64 N ATOM 0 H HIS A 44 19.466 16.759 -11.936 1.00 0.72 H new ATOM 0 HA HIS A 44 19.073 19.267 -11.491 1.00 0.71 H new ATOM 0 HB2 HIS A 44 17.696 17.512 -13.539 1.00 0.78 H new ATOM 0 HB3 HIS A 44 17.332 19.226 -13.508 1.00 0.78 H new ATOM 0 HD2 HIS A 44 18.890 19.744 -15.850 1.00 1.94 H new ATOM 0 HE1 HIS A 44 22.610 18.688 -14.155 1.00 2.78 H new ATOM 0 HE2 HIS A 44 21.502 19.770 -16.195 1.00 2.64 H new ATOM 573 N ILE A 45 16.053 17.956 -11.087 1.00 0.81 N ATOM 574 CA ILE A 45 14.766 18.178 -10.440 1.00 0.93 C ATOM 575 C ILE A 45 14.950 18.410 -8.944 1.00 0.96 C ATOM 576 O ILE A 45 14.322 19.294 -8.361 1.00 1.06 O ATOM 577 CB ILE A 45 13.855 16.969 -10.661 1.00 1.08 C ATOM 578 CG1 ILE A 45 12.591 17.411 -11.401 1.00 1.26 C ATOM 579 CG2 ILE A 45 13.469 16.367 -9.309 1.00 1.67 C ATOM 580 CD1 ILE A 45 11.728 16.187 -11.714 1.00 1.31 C ATOM 0 H ILE A 45 16.130 17.071 -11.588 1.00 0.81 H new ATOM 0 HA ILE A 45 14.308 19.064 -10.880 1.00 0.93 H new ATOM 0 HB ILE A 45 14.382 16.222 -11.255 1.00 1.08 H new ATOM 0 HG12 ILE A 45 12.029 18.119 -10.792 1.00 1.26 H new ATOM 0 HG13 ILE A 45 12.858 17.926 -12.324 1.00 1.26 H new ATOM 0 HG21 ILE A 45 12.820 15.506 -9.466 1.00 1.67 H new ATOM 0 HG22 ILE A 45 14.369 16.052 -8.781 1.00 1.67 H new ATOM 0 HG23 ILE A 45 12.943 17.114 -8.715 1.00 1.67 H new ATOM 0 HD11 ILE A 45 10.827 16.502 -12.241 1.00 1.31 H new ATOM 0 HD12 ILE A 45 12.292 15.495 -12.340 1.00 1.31 H new ATOM 0 HD13 ILE A 45 11.449 15.691 -10.784 1.00 1.31 H new ATOM 592 N SER A 46 15.815 17.611 -8.329 1.00 0.95 N ATOM 593 CA SER A 46 16.075 17.738 -6.900 1.00 1.08 C ATOM 594 C SER A 46 16.861 19.012 -6.608 1.00 1.03 C ATOM 595 O SER A 46 16.547 19.746 -5.671 1.00 1.10 O ATOM 596 CB SER A 46 16.864 16.526 -6.403 1.00 1.20 C ATOM 597 OG SER A 46 17.629 16.894 -5.264 1.00 1.94 O ATOM 0 H SER A 46 16.345 16.873 -8.794 1.00 0.95 H new ATOM 0 HA SER A 46 15.118 17.788 -6.380 1.00 1.08 H new ATOM 0 HB2 SER A 46 16.183 15.714 -6.150 1.00 1.20 H new ATOM 0 HB3 SER A 46 17.520 16.157 -7.192 1.00 1.20 H new ATOM 0 HG SER A 46 17.065 17.397 -4.640 1.00 1.94 H new ATOM 603 N HIS A 47 17.884 19.269 -7.417 1.00 0.98 N ATOM 604 CA HIS A 47 18.708 20.457 -7.237 1.00 0.99 C ATOM 605 C HIS A 47 17.876 21.721 -7.424 1.00 0.95 C ATOM 606 O HIS A 47 17.580 22.430 -6.462 1.00 1.03 O ATOM 607 CB HIS A 47 19.860 20.450 -8.243 1.00 0.99 C ATOM 608 CG HIS A 47 21.010 21.251 -7.695 1.00 1.59 C ATOM 609 ND1 HIS A 47 21.175 22.597 -7.980 1.00 2.45 N ATOM 610 CD2 HIS A 47 22.059 20.908 -6.878 1.00 2.27 C ATOM 611 CE1 HIS A 47 22.286 23.012 -7.344 1.00 3.21 C ATOM 612 NE2 HIS A 47 22.863 22.022 -6.658 1.00 3.07 N ATOM 0 H HIS A 47 18.160 18.674 -8.198 1.00 0.98 H new ATOM 0 HA HIS A 47 19.109 20.447 -6.224 1.00 0.99 H new ATOM 0 HB2 HIS A 47 20.178 19.426 -8.441 1.00 0.99 H new ATOM 0 HB3 HIS A 47 19.530 20.871 -9.193 1.00 0.99 H new ATOM 0 HD2 HIS A 47 22.233 19.924 -6.469 1.00 2.27 H new ATOM 0 HE1 HIS A 47 22.665 24.023 -7.384 1.00 3.21 H new ATOM 0 HE2 HIS A 47 23.711 22.072 -6.094 1.00 3.07 H new ATOM 621 N GLN A 48 17.500 21.998 -8.669 1.00 0.90 N ATOM 622 CA GLN A 48 16.702 23.180 -8.971 1.00 0.96 C ATOM 623 C GLN A 48 15.491 23.259 -8.047 1.00 1.02 C ATOM 624 O GLN A 48 15.162 24.327 -7.529 1.00 1.31 O ATOM 625 CB GLN A 48 16.232 23.134 -10.426 1.00 0.97 C ATOM 626 CG GLN A 48 16.944 24.226 -11.226 1.00 1.61 C ATOM 627 CD GLN A 48 16.455 24.217 -12.670 1.00 1.91 C ATOM 628 OE1 GLN A 48 15.261 23.765 -12.942 1.00 2.52 O flip ATOM 629 NE2 GLN A 48 17.179 24.633 -13.575 1.00 2.40 N flip ATOM 0 H GLN A 48 17.733 21.424 -9.479 1.00 0.90 H new ATOM 0 HA GLN A 48 17.322 24.063 -8.816 1.00 0.96 H new ATOM 0 HB2 GLN A 48 16.444 22.156 -10.857 1.00 0.97 H new ATOM 0 HB3 GLN A 48 15.153 23.277 -10.475 1.00 0.97 H new ATOM 0 HG2 GLN A 48 16.755 25.200 -10.775 1.00 1.61 H new ATOM 0 HG3 GLN A 48 18.022 24.065 -11.197 1.00 1.61 H new ATOM 0 HE21 GLN A 48 18.112 24.986 -13.361 1.00 2.40 H new ATOM 0 HE22 GLN A 48 16.846 24.625 -14.539 1.00 2.40 H new ATOM 638 N LEU A 49 14.831 22.123 -7.845 1.00 0.86 N ATOM 639 CA LEU A 49 13.657 22.077 -6.982 1.00 0.97 C ATOM 640 C LEU A 49 14.071 22.058 -5.514 1.00 0.95 C ATOM 641 O LEU A 49 13.397 21.459 -4.676 1.00 0.99 O ATOM 642 CB LEU A 49 12.829 20.829 -7.295 1.00 1.06 C ATOM 643 CG LEU A 49 11.341 21.160 -7.168 1.00 1.19 C ATOM 644 CD1 LEU A 49 10.667 21.011 -8.534 1.00 1.63 C ATOM 645 CD2 LEU A 49 10.683 20.193 -6.163 1.00 2.06 C ATOM 0 H LEU A 49 15.087 21.229 -8.264 1.00 0.86 H new ATOM 0 HA LEU A 49 13.058 22.968 -7.168 1.00 0.97 H new ATOM 0 HB2 LEU A 49 13.049 20.476 -8.303 1.00 1.06 H new ATOM 0 HB3 LEU A 49 13.093 20.023 -6.610 1.00 1.06 H new ATOM 0 HG LEU A 49 11.226 22.185 -6.815 1.00 1.19 H new ATOM 0 HD11 LEU A 49 9.607 21.247 -8.444 1.00 1.63 H new ATOM 0 HD12 LEU A 49 11.132 21.694 -9.245 1.00 1.63 H new ATOM 0 HD13 LEU A 49 10.782 19.986 -8.887 1.00 1.63 H new ATOM 0 HD21 LEU A 49 9.623 20.429 -6.072 1.00 2.06 H new ATOM 0 HD22 LEU A 49 10.798 19.168 -6.516 1.00 2.06 H new ATOM 0 HD23 LEU A 49 11.163 20.298 -5.190 1.00 2.06 H new ATOM 657 N ASN A 50 15.184 22.718 -5.210 1.00 0.94 N ATOM 658 CA ASN A 50 15.678 22.771 -3.839 1.00 0.96 C ATOM 659 C ASN A 50 15.205 21.554 -3.051 1.00 0.95 C ATOM 660 O ASN A 50 14.266 21.642 -2.259 1.00 1.12 O ATOM 661 CB ASN A 50 15.185 24.047 -3.155 1.00 1.04 C ATOM 662 CG ASN A 50 15.506 25.260 -4.022 1.00 1.78 C ATOM 663 OD1 ASN A 50 15.379 25.202 -5.245 1.00 2.62 O ATOM 664 ND2 ASN A 50 15.918 26.363 -3.458 1.00 2.35 N ATOM 0 H ASN A 50 15.757 23.220 -5.889 1.00 0.94 H new ATOM 0 HA ASN A 50 16.768 22.771 -3.866 1.00 0.96 H new ATOM 0 HB2 ASN A 50 14.110 23.986 -2.984 1.00 1.04 H new ATOM 0 HB3 ASN A 50 15.658 24.152 -2.178 1.00 1.04 H new ATOM 0 HD21 ASN A 50 16.135 27.178 -4.031 1.00 2.35 H new ATOM 0 HD22 ASN A 50 16.023 26.409 -2.444 1.00 2.35 H new ATOM 671 N LEU A 51 15.860 20.420 -3.273 1.00 0.88 N ATOM 672 CA LEU A 51 15.497 19.191 -2.577 1.00 0.88 C ATOM 673 C LEU A 51 16.696 18.252 -2.484 1.00 0.88 C ATOM 674 O LEU A 51 17.483 18.141 -3.423 1.00 0.86 O ATOM 675 CB LEU A 51 14.356 18.490 -3.317 1.00 0.85 C ATOM 676 CG LEU A 51 13.141 18.379 -2.393 1.00 1.19 C ATOM 677 CD1 LEU A 51 12.030 19.302 -2.898 1.00 1.66 C ATOM 678 CD2 LEU A 51 12.639 16.934 -2.383 1.00 1.67 C ATOM 0 H LEU A 51 16.639 20.326 -3.924 1.00 0.88 H new ATOM 0 HA LEU A 51 15.173 19.450 -1.569 1.00 0.88 H new ATOM 0 HB2 LEU A 51 14.093 19.049 -4.215 1.00 0.85 H new ATOM 0 HB3 LEU A 51 14.673 17.498 -3.640 1.00 0.85 H new ATOM 0 HG LEU A 51 13.425 18.672 -1.382 1.00 1.19 H new ATOM 0 HD11 LEU A 51 11.164 19.223 -2.240 1.00 1.66 H new ATOM 0 HD12 LEU A 51 12.388 20.332 -2.905 1.00 1.66 H new ATOM 0 HD13 LEU A 51 11.745 19.010 -3.909 1.00 1.66 H new ATOM 0 HD21 LEU A 51 11.774 16.854 -1.725 1.00 1.67 H new ATOM 0 HD22 LEU A 51 12.355 16.641 -3.394 1.00 1.67 H new ATOM 0 HD23 LEU A 51 13.430 16.276 -2.023 1.00 1.67 H new ATOM 690 N SER A 52 16.827 17.580 -1.345 1.00 0.91 N ATOM 691 CA SER A 52 17.934 16.653 -1.141 1.00 0.94 C ATOM 692 C SER A 52 17.721 15.376 -1.947 1.00 0.92 C ATOM 693 O SER A 52 16.905 14.530 -1.583 1.00 0.92 O ATOM 694 CB SER A 52 18.056 16.306 0.344 1.00 1.01 C ATOM 695 OG SER A 52 18.338 17.485 1.084 1.00 1.61 O ATOM 0 H SER A 52 16.186 17.659 -0.555 1.00 0.91 H new ATOM 0 HA SER A 52 18.852 17.133 -1.480 1.00 0.94 H new ATOM 0 HB2 SER A 52 17.131 15.853 0.700 1.00 1.01 H new ATOM 0 HB3 SER A 52 18.848 15.572 0.493 1.00 1.01 H new ATOM 0 HG SER A 52 18.415 17.264 2.036 1.00 1.61 H new ATOM 701 N GLN A 53 18.460 15.244 -3.043 1.00 0.92 N ATOM 702 CA GLN A 53 18.343 14.065 -3.894 1.00 0.93 C ATOM 703 C GLN A 53 18.297 12.796 -3.049 1.00 0.96 C ATOM 704 O GLN A 53 17.822 11.755 -3.502 1.00 1.02 O ATOM 705 CB GLN A 53 19.532 13.996 -4.855 1.00 1.00 C ATOM 706 CG GLN A 53 20.781 14.544 -4.162 1.00 1.57 C ATOM 707 CD GLN A 53 21.853 14.864 -5.198 1.00 2.17 C ATOM 708 OE1 GLN A 53 21.678 14.579 -6.383 1.00 2.78 O ATOM 709 NE2 GLN A 53 22.961 15.442 -4.820 1.00 2.75 N ATOM 0 H GLN A 53 19.141 15.933 -3.362 1.00 0.92 H new ATOM 0 HA GLN A 53 17.417 14.142 -4.464 1.00 0.93 H new ATOM 0 HB2 GLN A 53 19.700 12.966 -5.169 1.00 1.00 H new ATOM 0 HB3 GLN A 53 19.320 14.573 -5.755 1.00 1.00 H new ATOM 0 HG2 GLN A 53 20.530 15.442 -3.597 1.00 1.57 H new ATOM 0 HG3 GLN A 53 21.161 13.814 -3.447 1.00 1.57 H new ATOM 0 HE21 GLN A 53 23.104 15.677 -3.838 1.00 2.75 H new ATOM 0 HE22 GLN A 53 23.683 15.658 -5.507 1.00 2.75 H new ATOM 718 N SER A 54 18.793 12.891 -1.820 1.00 1.11 N ATOM 719 CA SER A 54 18.802 11.744 -0.920 1.00 1.19 C ATOM 720 C SER A 54 17.400 11.161 -0.779 1.00 1.11 C ATOM 721 O SER A 54 17.228 9.944 -0.712 1.00 1.15 O ATOM 722 CB SER A 54 19.322 12.165 0.456 1.00 1.38 C ATOM 723 OG SER A 54 20.340 11.267 0.872 1.00 2.01 O ATOM 0 H SER A 54 19.191 13.744 -1.427 1.00 1.11 H new ATOM 0 HA SER A 54 19.459 10.982 -1.340 1.00 1.19 H new ATOM 0 HB2 SER A 54 19.714 13.181 0.413 1.00 1.38 H new ATOM 0 HB3 SER A 54 18.507 12.168 1.179 1.00 1.38 H new ATOM 0 HG SER A 54 20.675 11.537 1.753 1.00 2.01 H new ATOM 729 N ASN A 55 16.402 12.037 -0.734 1.00 1.11 N ATOM 730 CA ASN A 55 15.018 11.597 -0.600 1.00 1.11 C ATOM 731 C ASN A 55 14.462 11.159 -1.951 1.00 0.92 C ATOM 732 O ASN A 55 13.844 10.101 -2.064 1.00 0.89 O ATOM 733 CB ASN A 55 14.162 12.734 -0.039 1.00 1.29 C ATOM 734 CG ASN A 55 14.223 12.729 1.485 1.00 1.88 C ATOM 735 OD1 ASN A 55 14.914 11.900 2.076 1.00 2.57 O ATOM 736 ND2 ASN A 55 13.538 13.612 2.159 1.00 2.36 N ATOM 0 H ASN A 55 16.524 13.048 -0.788 1.00 1.11 H new ATOM 0 HA ASN A 55 14.990 10.749 0.084 1.00 1.11 H new ATOM 0 HB2 ASN A 55 14.517 13.691 -0.422 1.00 1.29 H new ATOM 0 HB3 ASN A 55 13.130 12.621 -0.370 1.00 1.29 H new ATOM 0 HD21 ASN A 55 13.575 13.616 3.178 1.00 2.36 H new ATOM 0 HD22 ASN A 55 12.966 14.298 1.666 1.00 2.36 H new ATOM 743 N VAL A 56 14.685 11.980 -2.972 1.00 0.86 N ATOM 744 CA VAL A 56 14.201 11.666 -4.311 1.00 0.77 C ATOM 745 C VAL A 56 14.354 10.177 -4.602 1.00 0.75 C ATOM 746 O VAL A 56 13.399 9.410 -4.481 1.00 0.88 O ATOM 747 CB VAL A 56 14.983 12.473 -5.350 1.00 0.83 C ATOM 748 CG1 VAL A 56 14.015 13.037 -6.391 1.00 1.32 C ATOM 749 CG2 VAL A 56 15.714 13.625 -4.656 1.00 1.39 C ATOM 0 H VAL A 56 15.194 12.861 -2.899 1.00 0.86 H new ATOM 0 HA VAL A 56 13.144 11.928 -4.366 1.00 0.77 H new ATOM 0 HB VAL A 56 15.709 11.826 -5.842 1.00 0.83 H new ATOM 0 HG11 VAL A 56 14.571 13.612 -7.131 1.00 1.32 H new ATOM 0 HG12 VAL A 56 13.494 12.217 -6.885 1.00 1.32 H new ATOM 0 HG13 VAL A 56 13.289 13.685 -5.900 1.00 1.32 H new ATOM 0 HG21 VAL A 56 16.271 14.200 -5.395 1.00 1.39 H new ATOM 0 HG22 VAL A 56 14.988 14.273 -4.164 1.00 1.39 H new ATOM 0 HG23 VAL A 56 16.404 13.224 -3.914 1.00 1.39 H new ATOM 759 N SER A 57 15.561 9.775 -4.986 1.00 0.76 N ATOM 760 CA SER A 57 15.827 8.374 -5.291 1.00 0.84 C ATOM 761 C SER A 57 15.038 7.462 -4.358 1.00 0.82 C ATOM 762 O SER A 57 14.571 6.398 -4.764 1.00 0.83 O ATOM 763 CB SER A 57 17.322 8.084 -5.146 1.00 1.03 C ATOM 764 OG SER A 57 17.502 6.765 -4.651 1.00 1.53 O ATOM 0 H SER A 57 16.365 10.394 -5.093 1.00 0.76 H new ATOM 0 HA SER A 57 15.516 8.180 -6.318 1.00 0.84 H new ATOM 0 HB2 SER A 57 17.820 8.194 -6.109 1.00 1.03 H new ATOM 0 HB3 SER A 57 17.779 8.804 -4.467 1.00 1.03 H new ATOM 0 HG SER A 57 18.460 6.578 -4.559 1.00 1.53 H new ATOM 770 N HIS A 58 14.894 7.886 -3.107 1.00 0.87 N ATOM 771 CA HIS A 58 14.159 7.098 -2.124 1.00 0.92 C ATOM 772 C HIS A 58 12.656 7.244 -2.335 1.00 0.82 C ATOM 773 O HIS A 58 11.892 6.310 -2.092 1.00 0.86 O ATOM 774 CB HIS A 58 14.525 7.556 -0.710 1.00 1.05 C ATOM 775 CG HIS A 58 14.563 6.366 0.208 1.00 1.65 C ATOM 776 ND1 HIS A 58 13.448 5.940 0.913 1.00 2.48 N ATOM 777 CD2 HIS A 58 15.574 5.502 0.548 1.00 2.38 C ATOM 778 CE1 HIS A 58 13.811 4.863 1.634 1.00 3.24 C ATOM 779 NE2 HIS A 58 15.097 4.554 1.448 1.00 3.17 N ATOM 0 H HIS A 58 15.273 8.764 -2.752 1.00 0.87 H new ATOM 0 HA HIS A 58 14.431 6.050 -2.249 1.00 0.92 H new ATOM 0 HB2 HIS A 58 15.494 8.054 -0.717 1.00 1.05 H new ATOM 0 HB3 HIS A 58 13.796 8.282 -0.351 1.00 1.05 H new ATOM 0 HD2 HIS A 58 16.586 5.551 0.174 1.00 2.38 H new ATOM 0 HE1 HIS A 58 13.144 4.316 2.284 1.00 3.24 H new ATOM 0 HE2 HIS A 58 15.618 3.788 1.874 1.00 3.17 H new ATOM 788 N GLN A 59 12.239 8.422 -2.787 1.00 0.76 N ATOM 789 CA GLN A 59 10.824 8.679 -3.027 1.00 0.74 C ATOM 790 C GLN A 59 10.299 7.789 -4.148 1.00 0.69 C ATOM 791 O GLN A 59 9.588 6.815 -3.899 1.00 0.70 O ATOM 792 CB GLN A 59 10.617 10.148 -3.402 1.00 0.75 C ATOM 793 CG GLN A 59 9.254 10.619 -2.890 1.00 1.15 C ATOM 794 CD GLN A 59 9.252 12.135 -2.732 1.00 1.38 C ATOM 795 OE1 GLN A 59 9.297 12.864 -3.723 1.00 1.88 O ATOM 796 NE2 GLN A 59 9.202 12.658 -1.537 1.00 2.16 N ATOM 0 H GLN A 59 12.855 9.208 -2.993 1.00 0.76 H new ATOM 0 HA GLN A 59 10.274 8.455 -2.113 1.00 0.74 H new ATOM 0 HB2 GLN A 59 11.410 10.759 -2.971 1.00 0.75 H new ATOM 0 HB3 GLN A 59 10.673 10.269 -4.484 1.00 0.75 H new ATOM 0 HG2 GLN A 59 8.471 10.317 -3.585 1.00 1.15 H new ATOM 0 HG3 GLN A 59 9.032 10.145 -1.934 1.00 1.15 H new ATOM 0 HE21 GLN A 59 9.165 12.053 -0.717 1.00 2.16 H new ATOM 0 HE22 GLN A 59 9.200 13.672 -1.424 1.00 2.16 H new ATOM 805 N LEU A 60 10.654 8.129 -5.383 1.00 0.68 N ATOM 806 CA LEU A 60 10.213 7.352 -6.535 1.00 0.68 C ATOM 807 C LEU A 60 10.125 5.871 -6.182 1.00 0.72 C ATOM 808 O LEU A 60 9.130 5.210 -6.481 1.00 0.75 O ATOM 809 CB LEU A 60 11.189 7.543 -7.697 1.00 0.71 C ATOM 810 CG LEU A 60 11.710 8.982 -7.695 1.00 0.71 C ATOM 811 CD1 LEU A 60 12.651 9.186 -8.883 1.00 0.79 C ATOM 812 CD2 LEU A 60 10.531 9.951 -7.806 1.00 0.82 C ATOM 0 H LEU A 60 11.241 8.931 -5.611 1.00 0.68 H new ATOM 0 HA LEU A 60 9.224 7.703 -6.829 1.00 0.68 H new ATOM 0 HB2 LEU A 60 12.020 6.844 -7.606 1.00 0.71 H new ATOM 0 HB3 LEU A 60 10.692 7.326 -8.643 1.00 0.71 H new ATOM 0 HG LEU A 60 12.250 9.171 -6.767 1.00 0.71 H new ATOM 0 HD11 LEU A 60 13.022 10.211 -8.881 1.00 0.79 H new ATOM 0 HD12 LEU A 60 13.491 8.496 -8.804 1.00 0.79 H new ATOM 0 HD13 LEU A 60 12.112 8.997 -9.811 1.00 0.79 H new ATOM 0 HD21 LEU A 60 10.901 10.976 -7.805 1.00 0.82 H new ATOM 0 HD22 LEU A 60 9.990 9.762 -8.733 1.00 0.82 H new ATOM 0 HD23 LEU A 60 9.860 9.806 -6.959 1.00 0.82 H new ATOM 824 N LYS A 61 11.172 5.356 -5.545 1.00 0.76 N ATOM 825 CA LYS A 61 11.202 3.951 -5.157 1.00 0.85 C ATOM 826 C LYS A 61 9.814 3.482 -4.734 1.00 0.84 C ATOM 827 O LYS A 61 9.235 2.588 -5.352 1.00 0.84 O ATOM 828 CB LYS A 61 12.183 3.751 -4.000 1.00 0.95 C ATOM 829 CG LYS A 61 12.528 2.266 -3.875 1.00 1.24 C ATOM 830 CD LYS A 61 13.407 2.048 -2.642 1.00 1.34 C ATOM 831 CE LYS A 61 14.507 1.037 -2.971 1.00 1.71 C ATOM 832 NZ LYS A 61 13.896 -0.179 -3.579 1.00 2.30 N ATOM 0 H LYS A 61 12.005 5.886 -5.288 1.00 0.76 H new ATOM 0 HA LYS A 61 11.526 3.363 -6.016 1.00 0.85 H new ATOM 0 HB2 LYS A 61 13.089 4.332 -4.172 1.00 0.95 H new ATOM 0 HB3 LYS A 61 11.744 4.113 -3.070 1.00 0.95 H new ATOM 0 HG2 LYS A 61 11.615 1.675 -3.793 1.00 1.24 H new ATOM 0 HG3 LYS A 61 13.048 1.926 -4.770 1.00 1.24 H new ATOM 0 HD2 LYS A 61 13.849 2.993 -2.326 1.00 1.34 H new ATOM 0 HD3 LYS A 61 12.802 1.686 -1.811 1.00 1.34 H new ATOM 0 HE2 LYS A 61 15.228 1.478 -3.659 1.00 1.71 H new ATOM 0 HE3 LYS A 61 15.053 0.770 -2.066 1.00 1.71 H new ATOM 0 HZ1 LYS A 61 14.484 -1.009 -3.361 1.00 2.30 H new ATOM 0 HZ2 LYS A 61 12.941 -0.319 -3.191 1.00 2.30 H new ATOM 0 HZ3 LYS A 61 13.836 -0.059 -4.610 1.00 2.30 H new ATOM 846 N LEU A 62 9.285 4.090 -3.677 1.00 0.86 N ATOM 847 CA LEU A 62 7.963 3.726 -3.181 1.00 0.89 C ATOM 848 C LEU A 62 6.935 3.776 -4.306 1.00 0.86 C ATOM 849 O LEU A 62 6.614 2.754 -4.912 1.00 0.94 O ATOM 850 CB LEU A 62 7.545 4.683 -2.062 1.00 0.94 C ATOM 851 CG LEU A 62 6.160 4.288 -1.545 1.00 0.99 C ATOM 852 CD1 LEU A 62 6.238 2.916 -0.874 1.00 1.09 C ATOM 853 CD2 LEU A 62 5.681 5.327 -0.529 1.00 1.44 C ATOM 0 H LEU A 62 9.747 4.831 -3.151 1.00 0.86 H new ATOM 0 HA LEU A 62 8.009 2.709 -2.792 1.00 0.89 H new ATOM 0 HB2 LEU A 62 8.271 4.650 -1.250 1.00 0.94 H new ATOM 0 HB3 LEU A 62 7.528 5.708 -2.433 1.00 0.94 H new ATOM 0 HG LEU A 62 5.459 4.244 -2.379 1.00 0.99 H new ATOM 0 HD11 LEU A 62 5.251 2.635 -0.506 1.00 1.09 H new ATOM 0 HD12 LEU A 62 6.580 2.176 -1.598 1.00 1.09 H new ATOM 0 HD13 LEU A 62 6.938 2.958 -0.040 1.00 1.09 H new ATOM 0 HD21 LEU A 62 4.694 5.047 -0.160 1.00 1.44 H new ATOM 0 HD22 LEU A 62 6.382 5.370 0.305 1.00 1.44 H new ATOM 0 HD23 LEU A 62 5.625 6.305 -1.007 1.00 1.44 H new ATOM 865 N LEU A 63 6.421 4.971 -4.578 1.00 0.84 N ATOM 866 CA LEU A 63 5.429 5.142 -5.633 1.00 0.88 C ATOM 867 C LEU A 63 5.588 4.064 -6.700 1.00 0.85 C ATOM 868 O LEU A 63 4.672 3.280 -6.945 1.00 0.90 O ATOM 869 CB LEU A 63 5.583 6.523 -6.274 1.00 0.91 C ATOM 870 CG LEU A 63 4.907 7.573 -5.391 1.00 0.95 C ATOM 871 CD1 LEU A 63 5.589 7.603 -4.022 1.00 1.74 C ATOM 872 CD2 LEU A 63 5.029 8.949 -6.051 1.00 0.95 C ATOM 0 H LEU A 63 6.672 5.829 -4.087 1.00 0.84 H new ATOM 0 HA LEU A 63 4.437 5.054 -5.190 1.00 0.88 H new ATOM 0 HB2 LEU A 63 6.639 6.762 -6.398 1.00 0.91 H new ATOM 0 HB3 LEU A 63 5.136 6.526 -7.268 1.00 0.91 H new ATOM 0 HG LEU A 63 3.854 7.321 -5.267 1.00 0.95 H new ATOM 0 HD11 LEU A 63 5.108 8.351 -3.392 1.00 1.74 H new ATOM 0 HD12 LEU A 63 5.504 6.623 -3.552 1.00 1.74 H new ATOM 0 HD13 LEU A 63 6.642 7.856 -4.146 1.00 1.74 H new ATOM 0 HD21 LEU A 63 4.547 9.698 -5.422 1.00 0.95 H new ATOM 0 HD22 LEU A 63 6.082 9.201 -6.174 1.00 0.95 H new ATOM 0 HD23 LEU A 63 4.544 8.929 -7.027 1.00 0.95 H new ATOM 884 N LYS A 64 6.758 4.031 -7.331 1.00 0.82 N ATOM 885 CA LYS A 64 7.026 3.044 -8.370 1.00 0.84 C ATOM 886 C LYS A 64 6.478 1.679 -7.968 1.00 0.83 C ATOM 887 O LYS A 64 5.660 1.094 -8.678 1.00 0.94 O ATOM 888 CB LYS A 64 8.533 2.939 -8.612 1.00 0.87 C ATOM 889 CG LYS A 64 8.798 2.759 -10.108 1.00 1.39 C ATOM 890 CD LYS A 64 10.302 2.847 -10.374 1.00 1.55 C ATOM 891 CE LYS A 64 10.593 2.398 -11.808 1.00 2.10 C ATOM 892 NZ LYS A 64 12.045 2.093 -11.947 1.00 2.52 N ATOM 0 H LYS A 64 7.530 4.671 -7.143 1.00 0.82 H new ATOM 0 HA LYS A 64 6.531 3.365 -9.286 1.00 0.84 H new ATOM 0 HB2 LYS A 64 9.034 3.836 -8.248 1.00 0.87 H new ATOM 0 HB3 LYS A 64 8.944 2.097 -8.055 1.00 0.87 H new ATOM 0 HG2 LYS A 64 8.415 1.795 -10.443 1.00 1.39 H new ATOM 0 HG3 LYS A 64 8.272 3.526 -10.676 1.00 1.39 H new ATOM 0 HD2 LYS A 64 10.650 3.869 -10.224 1.00 1.55 H new ATOM 0 HD3 LYS A 64 10.845 2.219 -9.668 1.00 1.55 H new ATOM 0 HE2 LYS A 64 10.000 1.516 -12.052 1.00 2.10 H new ATOM 0 HE3 LYS A 64 10.306 3.180 -12.511 1.00 2.10 H new ATOM 0 HZ1 LYS A 64 12.244 1.788 -12.921 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 12.601 2.945 -11.731 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 12.305 1.333 -11.286 1.00 2.52 H new ATOM 906 N SER A 65 6.934 1.177 -6.825 1.00 0.83 N ATOM 907 CA SER A 65 6.482 -0.121 -6.338 1.00 0.85 C ATOM 908 C SER A 65 4.969 -0.124 -6.142 1.00 0.85 C ATOM 909 O SER A 65 4.335 -1.179 -6.143 1.00 1.01 O ATOM 910 CB SER A 65 7.170 -0.449 -5.012 1.00 0.91 C ATOM 911 OG SER A 65 6.516 -1.551 -4.400 1.00 1.67 O ATOM 0 H SER A 65 7.611 1.645 -6.223 1.00 0.83 H new ATOM 0 HA SER A 65 6.742 -0.876 -7.080 1.00 0.85 H new ATOM 0 HB2 SER A 65 8.220 -0.685 -5.183 1.00 0.91 H new ATOM 0 HB3 SER A 65 7.142 0.417 -4.351 1.00 0.91 H new ATOM 0 HG SER A 65 6.957 -1.763 -3.551 1.00 1.67 H new ATOM 917 N VAL A 66 4.397 1.064 -5.973 1.00 0.79 N ATOM 918 CA VAL A 66 2.958 1.187 -5.776 1.00 0.84 C ATOM 919 C VAL A 66 2.224 1.092 -7.110 1.00 0.83 C ATOM 920 O VAL A 66 1.027 0.809 -7.152 1.00 0.87 O ATOM 921 CB VAL A 66 2.635 2.525 -5.109 1.00 0.89 C ATOM 922 CG1 VAL A 66 1.226 2.473 -4.516 1.00 1.29 C ATOM 923 CG2 VAL A 66 3.647 2.796 -3.994 1.00 1.15 C ATOM 0 H VAL A 66 4.904 1.949 -5.969 1.00 0.79 H new ATOM 0 HA VAL A 66 2.628 0.371 -5.133 1.00 0.84 H new ATOM 0 HB VAL A 66 2.688 3.322 -5.850 1.00 0.89 H new ATOM 0 HG11 VAL A 66 0.996 3.427 -4.041 1.00 1.29 H new ATOM 0 HG12 VAL A 66 0.504 2.280 -5.310 1.00 1.29 H new ATOM 0 HG13 VAL A 66 1.172 1.676 -3.775 1.00 1.29 H new ATOM 0 HG21 VAL A 66 3.417 3.749 -3.518 1.00 1.15 H new ATOM 0 HG22 VAL A 66 3.594 1.998 -3.253 1.00 1.15 H new ATOM 0 HG23 VAL A 66 4.651 2.833 -4.416 1.00 1.15 H new ATOM 933 N HIS A 67 2.950 1.331 -8.197 1.00 0.85 N ATOM 934 CA HIS A 67 2.356 1.270 -9.528 1.00 0.92 C ATOM 935 C HIS A 67 1.773 2.624 -9.918 1.00 0.90 C ATOM 936 O HIS A 67 1.162 2.766 -10.977 1.00 1.00 O ATOM 937 CB HIS A 67 1.253 0.211 -9.559 1.00 1.05 C ATOM 938 CG HIS A 67 1.757 -1.017 -10.266 1.00 1.68 C ATOM 939 ND1 HIS A 67 1.305 -1.384 -11.523 1.00 2.37 N ATOM 940 CD2 HIS A 67 2.675 -1.973 -9.904 1.00 2.63 C ATOM 941 CE1 HIS A 67 1.945 -2.516 -11.870 1.00 3.22 C ATOM 942 NE2 HIS A 67 2.792 -2.918 -10.919 1.00 3.38 N ATOM 0 H HIS A 67 3.942 1.567 -8.184 1.00 0.85 H new ATOM 0 HA HIS A 67 3.136 1.004 -10.241 1.00 0.92 H new ATOM 0 HB2 HIS A 67 0.947 -0.041 -8.544 1.00 1.05 H new ATOM 0 HB3 HIS A 67 0.373 0.602 -10.069 1.00 1.05 H new ATOM 0 HD2 HIS A 67 3.223 -1.989 -8.973 1.00 2.63 H new ATOM 0 HE1 HIS A 67 1.792 -3.036 -12.804 1.00 3.22 H new ATOM 0 HE2 HIS A 67 3.395 -3.741 -10.933 1.00 3.38 H new ATOM 951 N LEU A 68 1.966 3.617 -9.056 1.00 0.85 N ATOM 952 CA LEU A 68 1.455 4.956 -9.321 1.00 0.92 C ATOM 953 C LEU A 68 2.187 5.587 -10.501 1.00 0.96 C ATOM 954 O LEU A 68 1.563 6.090 -11.435 1.00 1.45 O ATOM 955 CB LEU A 68 1.630 5.836 -8.082 1.00 0.92 C ATOM 956 CG LEU A 68 0.456 5.611 -7.127 1.00 1.14 C ATOM 957 CD1 LEU A 68 0.715 6.356 -5.816 1.00 1.23 C ATOM 958 CD2 LEU A 68 -0.830 6.138 -7.767 1.00 1.82 C ATOM 0 H LEU A 68 2.469 3.521 -8.174 1.00 0.85 H new ATOM 0 HA LEU A 68 0.396 4.877 -9.566 1.00 0.92 H new ATOM 0 HB2 LEU A 68 2.569 5.598 -7.583 1.00 0.92 H new ATOM 0 HB3 LEU A 68 1.681 6.885 -8.372 1.00 0.92 H new ATOM 0 HG LEU A 68 0.351 4.545 -6.925 1.00 1.14 H new ATOM 0 HD11 LEU A 68 -0.121 6.196 -5.135 1.00 1.23 H new ATOM 0 HD12 LEU A 68 1.631 5.982 -5.360 1.00 1.23 H new ATOM 0 HD13 LEU A 68 0.820 7.422 -6.018 1.00 1.23 H new ATOM 0 HD21 LEU A 68 -1.667 5.978 -7.087 1.00 1.82 H new ATOM 0 HD22 LEU A 68 -0.725 7.204 -7.969 1.00 1.82 H new ATOM 0 HD23 LEU A 68 -1.015 5.608 -8.701 1.00 1.82 H new ATOM 970 N VAL A 69 3.515 5.555 -10.452 1.00 0.80 N ATOM 971 CA VAL A 69 4.323 6.127 -11.523 1.00 0.79 C ATOM 972 C VAL A 69 4.988 5.025 -12.340 1.00 0.80 C ATOM 973 O VAL A 69 5.111 3.888 -11.883 1.00 0.79 O ATOM 974 CB VAL A 69 5.396 7.045 -10.933 1.00 0.76 C ATOM 975 CG1 VAL A 69 4.859 8.476 -10.861 1.00 1.39 C ATOM 976 CG2 VAL A 69 5.760 6.566 -9.526 1.00 1.43 C ATOM 0 H VAL A 69 4.051 5.142 -9.688 1.00 0.80 H new ATOM 0 HA VAL A 69 3.670 6.704 -12.177 1.00 0.79 H new ATOM 0 HB VAL A 69 6.283 7.021 -11.566 1.00 0.76 H new ATOM 0 HG11 VAL A 69 5.623 9.130 -10.441 1.00 1.39 H new ATOM 0 HG12 VAL A 69 4.599 8.818 -11.863 1.00 1.39 H new ATOM 0 HG13 VAL A 69 3.972 8.500 -10.228 1.00 1.39 H new ATOM 0 HG21 VAL A 69 6.524 7.220 -9.105 1.00 1.43 H new ATOM 0 HG22 VAL A 69 4.873 6.590 -8.893 1.00 1.43 H new ATOM 0 HG23 VAL A 69 6.142 5.546 -9.576 1.00 1.43 H new ATOM 986 N LYS A 70 5.416 5.368 -13.550 1.00 0.86 N ATOM 987 CA LYS A 70 6.068 4.399 -14.423 1.00 0.91 C ATOM 988 C LYS A 70 7.377 4.962 -14.966 1.00 0.87 C ATOM 989 O LYS A 70 7.386 5.972 -15.669 1.00 1.05 O ATOM 990 CB LYS A 70 5.143 4.042 -15.588 1.00 1.02 C ATOM 991 CG LYS A 70 5.078 2.521 -15.739 1.00 1.48 C ATOM 992 CD LYS A 70 3.742 2.127 -16.391 1.00 1.64 C ATOM 993 CE LYS A 70 3.347 2.462 -17.842 1.00 2.30 C ATOM 994 NZ LYS A 70 2.465 1.386 -18.377 1.00 2.97 N ATOM 0 H LYS A 70 5.324 6.303 -13.947 1.00 0.86 H new ATOM 0 HA LYS A 70 6.285 3.503 -13.842 1.00 0.91 H new ATOM 0 HB2 LYS A 70 4.145 4.444 -15.411 1.00 1.02 H new ATOM 0 HB3 LYS A 70 5.510 4.494 -16.509 1.00 1.02 H new ATOM 0 HG2 LYS A 70 5.910 2.170 -16.349 1.00 1.48 H new ATOM 0 HG3 LYS A 70 5.174 2.044 -14.764 1.00 1.48 H new ATOM 0 HD2 LYS A 70 3.670 1.043 -16.301 1.00 1.64 H new ATOM 0 HD3 LYS A 70 2.961 2.552 -15.760 1.00 1.64 H new ATOM 0 HE2 LYS A 70 2.831 3.421 -17.878 1.00 2.30 H new ATOM 0 HE3 LYS A 70 4.239 2.557 -18.461 1.00 2.30 H new ATOM 0 HZ1 LYS A 70 2.198 1.611 -19.357 1.00 2.97 H new ATOM 0 HZ2 LYS A 70 2.973 0.479 -18.357 1.00 2.97 H new ATOM 0 HZ3 LYS A 70 1.608 1.316 -17.792 1.00 2.97 H new ATOM 1008 N ALA A 71 8.482 4.300 -14.635 1.00 0.98 N ATOM 1009 CA ALA A 71 9.792 4.744 -15.096 1.00 1.01 C ATOM 1010 C ALA A 71 10.002 4.368 -16.559 1.00 0.97 C ATOM 1011 O ALA A 71 9.324 3.487 -17.087 1.00 1.02 O ATOM 1012 CB ALA A 71 10.889 4.105 -14.242 1.00 1.18 C ATOM 0 H ALA A 71 8.497 3.462 -14.054 1.00 0.98 H new ATOM 0 HA ALA A 71 9.841 5.829 -15.001 1.00 1.01 H new ATOM 0 HB1 ALA A 71 11.865 4.441 -14.592 1.00 1.18 H new ATOM 0 HB2 ALA A 71 10.756 4.398 -13.201 1.00 1.18 H new ATOM 0 HB3 ALA A 71 10.828 3.020 -14.324 1.00 1.18 H new ATOM 1018 N LYS A 72 10.946 5.041 -17.208 1.00 1.18 N ATOM 1019 CA LYS A 72 11.237 4.770 -18.611 1.00 1.23 C ATOM 1020 C LYS A 72 12.738 4.840 -18.871 1.00 1.24 C ATOM 1021 O LYS A 72 13.410 5.777 -18.439 1.00 1.21 O ATOM 1022 CB LYS A 72 10.516 5.785 -19.499 1.00 1.30 C ATOM 1023 CG LYS A 72 9.541 5.053 -20.424 1.00 1.71 C ATOM 1024 CD LYS A 72 8.924 6.050 -21.407 1.00 1.76 C ATOM 1025 CE LYS A 72 8.504 5.316 -22.681 1.00 2.59 C ATOM 1026 NZ LYS A 72 7.952 6.295 -23.660 1.00 3.27 N ATOM 0 H LYS A 72 11.519 5.773 -16.789 1.00 1.18 H new ATOM 0 HA LYS A 72 10.886 3.766 -18.848 1.00 1.23 H new ATOM 0 HB2 LYS A 72 9.978 6.505 -18.883 1.00 1.30 H new ATOM 0 HB3 LYS A 72 11.240 6.348 -20.088 1.00 1.30 H new ATOM 0 HG2 LYS A 72 10.061 4.265 -20.968 1.00 1.71 H new ATOM 0 HG3 LYS A 72 8.758 4.572 -19.838 1.00 1.71 H new ATOM 0 HD2 LYS A 72 8.061 6.537 -20.954 1.00 1.76 H new ATOM 0 HD3 LYS A 72 9.643 6.834 -21.646 1.00 1.76 H new ATOM 0 HE2 LYS A 72 9.359 4.797 -23.113 1.00 2.59 H new ATOM 0 HE3 LYS A 72 7.756 4.558 -22.447 1.00 2.59 H new ATOM 0 HZ1 LYS A 72 7.666 5.796 -24.527 1.00 3.27 H new ATOM 0 HZ2 LYS A 72 7.125 6.771 -23.246 1.00 3.27 H new ATOM 0 HZ3 LYS A 72 8.679 7.002 -23.891 1.00 3.27 H new ATOM 1040 N ARG A 73 13.258 3.843 -19.580 1.00 1.35 N ATOM 1041 CA ARG A 73 14.682 3.802 -19.892 1.00 1.47 C ATOM 1042 C ARG A 73 14.913 4.055 -21.378 1.00 1.48 C ATOM 1043 O ARG A 73 14.247 3.465 -22.228 1.00 1.63 O ATOM 1044 CB ARG A 73 15.261 2.439 -19.508 1.00 1.85 C ATOM 1045 CG ARG A 73 15.680 2.458 -18.037 1.00 2.24 C ATOM 1046 CD ARG A 73 15.046 1.271 -17.310 1.00 2.69 C ATOM 1047 NE ARG A 73 15.888 0.088 -17.444 1.00 3.07 N ATOM 1048 CZ ARG A 73 15.372 -1.086 -17.796 1.00 3.86 C ATOM 1049 NH1 ARG A 73 14.093 -1.193 -18.029 1.00 4.36 N ATOM 1050 NH2 ARG A 73 16.146 -2.130 -17.909 1.00 4.53 N ATOM 0 H ARG A 73 12.719 3.058 -19.947 1.00 1.35 H new ATOM 0 HA ARG A 73 15.183 4.584 -19.321 1.00 1.47 H new ATOM 0 HB2 ARG A 73 14.520 1.657 -19.676 1.00 1.85 H new ATOM 0 HB3 ARG A 73 16.119 2.206 -20.138 1.00 1.85 H new ATOM 0 HG2 ARG A 73 16.766 2.409 -17.957 1.00 2.24 H new ATOM 0 HG3 ARG A 73 15.367 3.392 -17.571 1.00 2.24 H new ATOM 0 HD2 ARG A 73 14.910 1.512 -16.256 1.00 2.69 H new ATOM 0 HD3 ARG A 73 14.057 1.070 -17.721 1.00 2.69 H new ATOM 0 HE ARG A 73 16.889 0.162 -17.265 1.00 3.07 H new ATOM 0 HH11 ARG A 73 13.489 -0.376 -17.941 1.00 4.36 H new ATOM 0 HH12 ARG A 73 13.697 -2.094 -18.299 1.00 4.36 H new ATOM 0 HH21 ARG A 73 17.146 -2.045 -17.727 1.00 4.53 H new ATOM 0 HH22 ARG A 73 15.751 -3.031 -18.179 1.00 4.53 H new ATOM 1064 N GLN A 74 15.861 4.934 -21.683 1.00 1.55 N ATOM 1065 CA GLN A 74 16.172 5.257 -23.071 1.00 1.79 C ATOM 1066 C GLN A 74 17.515 5.973 -23.168 1.00 1.96 C ATOM 1067 O GLN A 74 17.603 7.180 -22.946 1.00 2.24 O ATOM 1068 CB GLN A 74 15.075 6.147 -23.657 1.00 1.99 C ATOM 1069 CG GLN A 74 15.051 5.991 -25.191 1.00 2.35 C ATOM 1070 CD GLN A 74 13.912 6.748 -25.829 1.00 2.81 C ATOM 1071 OE1 GLN A 74 12.863 7.053 -25.115 1.00 3.39 O flip ATOM 1072 NE2 GLN A 74 13.970 7.077 -27.014 1.00 3.22 N flip ATOM 0 H GLN A 74 16.424 5.433 -20.994 1.00 1.55 H new ATOM 0 HA GLN A 74 16.228 4.327 -23.637 1.00 1.79 H new ATOM 0 HB2 GLN A 74 14.107 5.873 -23.238 1.00 1.99 H new ATOM 0 HB3 GLN A 74 15.255 7.188 -23.389 1.00 1.99 H new ATOM 0 HG2 GLN A 74 15.995 6.345 -25.604 1.00 2.35 H new ATOM 0 HG3 GLN A 74 14.968 4.934 -25.445 1.00 2.35 H new ATOM 0 HE21 GLN A 74 14.791 6.838 -27.570 1.00 3.22 H new ATOM 0 HE22 GLN A 74 13.197 7.589 -27.440 1.00 3.22 H new ATOM 1081 N GLY A 75 18.559 5.220 -23.500 1.00 2.24 N ATOM 1082 CA GLY A 75 19.893 5.793 -23.624 1.00 2.57 C ATOM 1083 C GLY A 75 20.716 5.532 -22.367 1.00 2.72 C ATOM 1084 O GLY A 75 21.536 4.615 -22.330 1.00 3.14 O ATOM 0 H GLY A 75 18.507 4.219 -23.687 1.00 2.24 H new ATOM 0 HA2 GLY A 75 20.398 5.365 -24.490 1.00 2.57 H new ATOM 0 HA3 GLY A 75 19.817 6.866 -23.798 1.00 2.57 H new ATOM 1088 N GLN A 76 20.491 6.344 -21.339 1.00 2.83 N ATOM 1089 CA GLN A 76 21.217 6.190 -20.084 1.00 3.03 C ATOM 1090 C GLN A 76 20.290 6.420 -18.895 1.00 2.47 C ATOM 1091 O GLN A 76 19.621 5.497 -18.431 1.00 2.55 O ATOM 1092 CB GLN A 76 22.377 7.187 -20.028 1.00 3.54 C ATOM 1093 CG GLN A 76 23.681 6.438 -19.750 1.00 4.28 C ATOM 1094 CD GLN A 76 24.824 7.431 -19.568 1.00 4.76 C ATOM 1095 OE1 GLN A 76 25.105 7.857 -18.448 1.00 5.14 O ATOM 1096 NE2 GLN A 76 25.503 7.827 -20.609 1.00 5.15 N ATOM 0 H GLN A 76 19.817 7.110 -21.350 1.00 2.83 H new ATOM 0 HA GLN A 76 21.607 5.173 -20.034 1.00 3.03 H new ATOM 0 HB2 GLN A 76 22.450 7.729 -20.971 1.00 3.54 H new ATOM 0 HB3 GLN A 76 22.197 7.927 -19.248 1.00 3.54 H new ATOM 0 HG2 GLN A 76 23.574 5.825 -18.855 1.00 4.28 H new ATOM 0 HG3 GLN A 76 23.904 5.761 -20.575 1.00 4.28 H new ATOM 0 HE21 GLN A 76 25.268 7.472 -21.536 1.00 5.15 H new ATOM 0 HE22 GLN A 76 26.269 8.491 -20.496 1.00 5.15 H new ATOM 1105 N SER A 77 20.256 7.656 -18.408 1.00 2.29 N ATOM 1106 CA SER A 77 19.406 7.995 -17.272 1.00 1.94 C ATOM 1107 C SER A 77 17.959 7.601 -17.548 1.00 1.58 C ATOM 1108 O SER A 77 17.550 7.472 -18.702 1.00 1.81 O ATOM 1109 CB SER A 77 19.483 9.497 -16.994 1.00 2.12 C ATOM 1110 OG SER A 77 19.856 9.709 -15.641 1.00 2.59 O ATOM 0 H SER A 77 20.802 8.434 -18.778 1.00 2.29 H new ATOM 0 HA SER A 77 19.760 7.445 -16.400 1.00 1.94 H new ATOM 0 HB2 SER A 77 20.208 9.964 -17.660 1.00 2.12 H new ATOM 0 HB3 SER A 77 18.519 9.965 -17.194 1.00 2.12 H new ATOM 0 HG SER A 77 19.907 10.671 -15.463 1.00 2.59 H new ATOM 1116 N MET A 78 17.189 7.411 -16.482 1.00 1.35 N ATOM 1117 CA MET A 78 15.788 7.032 -16.621 1.00 1.17 C ATOM 1118 C MET A 78 14.878 8.215 -16.309 1.00 1.05 C ATOM 1119 O MET A 78 14.909 8.760 -15.206 1.00 1.37 O ATOM 1120 CB MET A 78 15.465 5.875 -15.674 1.00 1.36 C ATOM 1121 CG MET A 78 16.757 5.362 -15.034 1.00 1.53 C ATOM 1122 SD MET A 78 16.359 4.425 -13.538 1.00 2.19 S ATOM 1123 CE MET A 78 18.039 3.822 -13.194 1.00 2.62 C ATOM 0 H MET A 78 17.509 7.512 -15.519 1.00 1.35 H new ATOM 0 HA MET A 78 15.617 6.719 -17.651 1.00 1.17 H new ATOM 0 HB2 MET A 78 14.771 6.206 -14.902 1.00 1.36 H new ATOM 0 HB3 MET A 78 14.973 5.070 -16.221 1.00 1.36 H new ATOM 0 HG2 MET A 78 17.298 4.730 -15.738 1.00 1.53 H new ATOM 0 HG3 MET A 78 17.411 6.199 -14.789 1.00 1.53 H new ATOM 0 HE1 MET A 78 18.028 3.208 -12.293 1.00 2.62 H new ATOM 0 HE2 MET A 78 18.391 3.225 -14.036 1.00 2.62 H new ATOM 0 HE3 MET A 78 18.707 4.671 -13.046 1.00 2.62 H new ATOM 1133 N ILE A 79 14.069 8.607 -17.288 1.00 0.85 N ATOM 1134 CA ILE A 79 13.154 9.728 -17.107 1.00 0.78 C ATOM 1135 C ILE A 79 11.777 9.232 -16.680 1.00 0.73 C ATOM 1136 O ILE A 79 11.113 8.504 -17.418 1.00 0.76 O ATOM 1137 CB ILE A 79 13.032 10.518 -18.411 1.00 0.83 C ATOM 1138 CG1 ILE A 79 14.430 10.852 -18.937 1.00 1.00 C ATOM 1139 CG2 ILE A 79 12.261 11.814 -18.153 1.00 0.96 C ATOM 1140 CD1 ILE A 79 14.317 11.442 -20.344 1.00 1.34 C ATOM 0 H ILE A 79 14.028 8.169 -18.208 1.00 0.85 H new ATOM 0 HA ILE A 79 13.553 10.376 -16.326 1.00 0.78 H new ATOM 0 HB ILE A 79 12.499 9.920 -19.150 1.00 0.83 H new ATOM 0 HG12 ILE A 79 14.921 11.562 -18.271 1.00 1.00 H new ATOM 0 HG13 ILE A 79 15.047 9.954 -18.956 1.00 1.00 H new ATOM 0 HG21 ILE A 79 12.174 12.377 -19.082 1.00 0.96 H new ATOM 0 HG22 ILE A 79 11.265 11.577 -17.778 1.00 0.96 H new ATOM 0 HG23 ILE A 79 12.793 12.413 -17.414 1.00 0.96 H new ATOM 0 HD11 ILE A 79 15.312 11.680 -20.720 1.00 1.34 H new ATOM 0 HD12 ILE A 79 13.843 10.717 -21.006 1.00 1.34 H new ATOM 0 HD13 ILE A 79 13.715 12.350 -20.311 1.00 1.34 H new ATOM 1152 N TYR A 80 11.353 9.631 -15.485 1.00 0.70 N ATOM 1153 CA TYR A 80 10.052 9.221 -14.971 1.00 0.69 C ATOM 1154 C TYR A 80 8.932 9.971 -15.684 1.00 0.77 C ATOM 1155 O TYR A 80 9.172 10.981 -16.346 1.00 0.92 O ATOM 1156 CB TYR A 80 9.976 9.496 -13.468 1.00 0.81 C ATOM 1157 CG TYR A 80 11.146 8.840 -12.776 1.00 0.90 C ATOM 1158 CD1 TYR A 80 12.451 9.260 -13.057 1.00 1.69 C ATOM 1159 CD2 TYR A 80 10.926 7.811 -11.852 1.00 1.69 C ATOM 1160 CE1 TYR A 80 13.536 8.652 -12.415 1.00 2.26 C ATOM 1161 CE2 TYR A 80 12.011 7.203 -11.210 1.00 2.30 C ATOM 1162 CZ TYR A 80 13.316 7.623 -11.492 1.00 2.34 C ATOM 1163 OH TYR A 80 14.386 7.023 -10.859 1.00 3.15 O ATOM 0 H TYR A 80 11.887 10.233 -14.859 1.00 0.70 H new ATOM 0 HA TYR A 80 9.931 8.153 -15.153 1.00 0.69 H new ATOM 0 HB2 TYR A 80 9.986 10.570 -13.283 1.00 0.81 H new ATOM 0 HB3 TYR A 80 9.039 9.112 -13.064 1.00 0.81 H new ATOM 0 HD1 TYR A 80 12.621 10.054 -13.770 1.00 1.69 H new ATOM 0 HD2 TYR A 80 9.919 7.487 -11.635 1.00 1.69 H new ATOM 0 HE1 TYR A 80 14.543 8.977 -12.632 1.00 2.26 H new ATOM 0 HE2 TYR A 80 11.841 6.410 -10.497 1.00 2.30 H new ATOM 0 HH TYR A 80 14.058 6.329 -10.249 1.00 3.15 H new ATOM 1173 N SER A 81 7.709 9.470 -15.545 1.00 0.77 N ATOM 1174 CA SER A 81 6.559 10.102 -16.181 1.00 0.94 C ATOM 1175 C SER A 81 5.290 9.299 -15.913 1.00 0.89 C ATOM 1176 O SER A 81 5.316 8.069 -15.887 1.00 0.90 O ATOM 1177 CB SER A 81 6.789 10.206 -17.689 1.00 1.15 C ATOM 1178 OG SER A 81 5.566 9.972 -18.372 1.00 1.64 O ATOM 0 H SER A 81 7.489 8.635 -15.002 1.00 0.77 H new ATOM 0 HA SER A 81 6.439 11.101 -15.762 1.00 0.94 H new ATOM 0 HB2 SER A 81 7.176 11.193 -17.941 1.00 1.15 H new ATOM 0 HB3 SER A 81 7.539 9.480 -18.004 1.00 1.15 H new ATOM 0 HG SER A 81 5.713 10.040 -19.339 1.00 1.64 H new ATOM 1184 N LEU A 82 4.181 10.004 -15.715 1.00 0.89 N ATOM 1185 CA LEU A 82 2.907 9.346 -15.451 1.00 0.90 C ATOM 1186 C LEU A 82 2.383 8.664 -16.710 1.00 0.96 C ATOM 1187 O LEU A 82 2.900 8.881 -17.806 1.00 1.56 O ATOM 1188 CB LEU A 82 1.882 10.372 -14.962 1.00 0.97 C ATOM 1189 CG LEU A 82 2.516 11.252 -13.883 1.00 1.33 C ATOM 1190 CD1 LEU A 82 1.523 12.356 -13.471 1.00 1.93 C ATOM 1191 CD2 LEU A 82 2.861 10.395 -12.663 1.00 1.94 C ATOM 0 H LEU A 82 4.138 11.023 -15.732 1.00 0.89 H new ATOM 0 HA LEU A 82 3.063 8.590 -14.681 1.00 0.90 H new ATOM 0 HB2 LEU A 82 1.542 10.987 -15.795 1.00 0.97 H new ATOM 0 HB3 LEU A 82 1.005 9.863 -14.562 1.00 0.97 H new ATOM 0 HG LEU A 82 3.425 11.709 -14.275 1.00 1.33 H new ATOM 0 HD11 LEU A 82 1.975 12.983 -12.702 1.00 1.93 H new ATOM 0 HD12 LEU A 82 1.277 12.967 -14.340 1.00 1.93 H new ATOM 0 HD13 LEU A 82 0.614 11.900 -13.079 1.00 1.93 H new ATOM 0 HD21 LEU A 82 3.313 11.022 -11.894 1.00 1.94 H new ATOM 0 HD22 LEU A 82 1.953 9.938 -12.271 1.00 1.94 H new ATOM 0 HD23 LEU A 82 3.564 9.614 -12.954 1.00 1.94 H new ATOM 1203 N ASP A 83 1.355 7.838 -16.545 1.00 0.97 N ATOM 1204 CA ASP A 83 0.770 7.129 -17.677 1.00 1.01 C ATOM 1205 C ASP A 83 -0.745 7.310 -17.698 1.00 0.96 C ATOM 1206 O ASP A 83 -1.354 7.393 -18.764 1.00 1.04 O ATOM 1207 CB ASP A 83 1.105 5.638 -17.588 1.00 1.12 C ATOM 1208 CG ASP A 83 2.236 5.301 -18.553 1.00 1.90 C ATOM 1209 OD1 ASP A 83 3.315 5.843 -18.383 1.00 2.56 O ATOM 1210 OD2 ASP A 83 2.006 4.504 -19.448 1.00 2.60 O ATOM 0 H ASP A 83 0.913 7.644 -15.646 1.00 0.97 H new ATOM 0 HA ASP A 83 1.187 7.542 -18.595 1.00 1.01 H new ATOM 0 HB2 ASP A 83 1.396 5.382 -16.569 1.00 1.12 H new ATOM 0 HB3 ASP A 83 0.223 5.043 -17.826 1.00 1.12 H new ATOM 1215 N ASP A 84 -1.345 7.370 -16.514 1.00 0.92 N ATOM 1216 CA ASP A 84 -2.789 7.541 -16.410 1.00 0.92 C ATOM 1217 C ASP A 84 -3.143 9.013 -16.223 1.00 0.91 C ATOM 1218 O ASP A 84 -3.234 9.501 -15.096 1.00 1.11 O ATOM 1219 CB ASP A 84 -3.326 6.733 -15.227 1.00 1.04 C ATOM 1220 CG ASP A 84 -2.460 5.497 -15.006 1.00 1.55 C ATOM 1221 OD1 ASP A 84 -1.275 5.569 -15.287 1.00 2.13 O ATOM 1222 OD2 ASP A 84 -2.995 4.496 -14.558 1.00 2.23 O ATOM 0 H ASP A 84 -0.858 7.303 -15.620 1.00 0.92 H new ATOM 0 HA ASP A 84 -3.245 7.183 -17.333 1.00 0.92 H new ATOM 0 HB2 ASP A 84 -3.332 7.349 -14.328 1.00 1.04 H new ATOM 0 HB3 ASP A 84 -4.357 6.436 -15.417 1.00 1.04 H new ATOM 1227 N ILE A 85 -3.341 9.715 -17.334 1.00 0.98 N ATOM 1228 CA ILE A 85 -3.684 11.131 -17.280 1.00 1.07 C ATOM 1229 C ILE A 85 -4.889 11.357 -16.373 1.00 1.04 C ATOM 1230 O ILE A 85 -5.188 12.489 -15.992 1.00 1.17 O ATOM 1231 CB ILE A 85 -4.000 11.644 -18.686 1.00 1.31 C ATOM 1232 CG1 ILE A 85 -5.338 11.067 -19.152 1.00 2.03 C ATOM 1233 CG2 ILE A 85 -2.885 11.204 -19.656 1.00 2.03 C ATOM 1234 CD1 ILE A 85 -5.530 11.361 -20.641 1.00 2.62 C ATOM 0 H ILE A 85 -3.271 9.330 -18.276 1.00 0.98 H new ATOM 0 HA ILE A 85 -2.832 11.677 -16.875 1.00 1.07 H new ATOM 0 HB ILE A 85 -4.060 12.732 -18.670 1.00 1.31 H new ATOM 0 HG12 ILE A 85 -5.363 9.991 -18.977 1.00 2.03 H new ATOM 0 HG13 ILE A 85 -6.154 11.503 -18.576 1.00 2.03 H new ATOM 0 HG21 ILE A 85 -3.110 11.569 -20.658 1.00 2.03 H new ATOM 0 HG22 ILE A 85 -1.931 11.615 -19.325 1.00 2.03 H new ATOM 0 HG23 ILE A 85 -2.825 10.116 -19.671 1.00 2.03 H new ATOM 0 HD11 ILE A 85 -6.483 10.950 -20.973 1.00 2.62 H new ATOM 0 HD12 ILE A 85 -5.524 12.439 -20.803 1.00 2.62 H new ATOM 0 HD13 ILE A 85 -4.720 10.904 -21.210 1.00 2.62 H new ATOM 1246 N HIS A 86 -5.578 10.273 -16.031 1.00 1.00 N ATOM 1247 CA HIS A 86 -6.749 10.365 -15.168 1.00 1.08 C ATOM 1248 C HIS A 86 -6.406 11.094 -13.873 1.00 0.99 C ATOM 1249 O HIS A 86 -6.992 12.130 -13.558 1.00 1.03 O ATOM 1250 CB HIS A 86 -7.269 8.963 -14.843 1.00 1.22 C ATOM 1251 CG HIS A 86 -8.360 8.596 -15.810 1.00 1.81 C ATOM 1252 ND1 HIS A 86 -8.638 9.357 -16.935 1.00 2.60 N ATOM 1253 CD2 HIS A 86 -9.252 7.552 -15.835 1.00 2.57 C ATOM 1254 CE1 HIS A 86 -9.658 8.766 -17.583 1.00 3.36 C ATOM 1255 NE2 HIS A 86 -10.070 7.661 -16.955 1.00 3.37 N ATOM 0 H HIS A 86 -5.348 9.327 -16.336 1.00 1.00 H new ATOM 0 HA HIS A 86 -7.521 10.927 -15.694 1.00 1.08 H new ATOM 0 HB2 HIS A 86 -6.456 8.239 -14.903 1.00 1.22 H new ATOM 0 HB3 HIS A 86 -7.648 8.932 -13.822 1.00 1.22 H new ATOM 0 HD2 HIS A 86 -9.310 6.766 -15.097 1.00 2.57 H new ATOM 0 HE1 HIS A 86 -10.091 9.139 -18.499 1.00 3.36 H new ATOM 0 HE2 HIS A 86 -10.822 7.032 -17.236 1.00 3.37 H new ATOM 1264 N VAL A 87 -5.453 10.546 -13.126 1.00 0.97 N ATOM 1265 CA VAL A 87 -5.039 11.153 -11.866 1.00 0.99 C ATOM 1266 C VAL A 87 -4.749 12.638 -12.057 1.00 0.91 C ATOM 1267 O VAL A 87 -5.176 13.471 -11.257 1.00 0.93 O ATOM 1268 CB VAL A 87 -3.788 10.452 -11.336 1.00 1.09 C ATOM 1269 CG1 VAL A 87 -3.494 10.938 -9.915 1.00 1.60 C ATOM 1270 CG2 VAL A 87 -4.020 8.939 -11.319 1.00 1.41 C ATOM 0 H VAL A 87 -4.956 9.689 -13.369 1.00 0.97 H new ATOM 0 HA VAL A 87 -5.850 11.042 -11.147 1.00 0.99 H new ATOM 0 HB VAL A 87 -2.941 10.683 -11.982 1.00 1.09 H new ATOM 0 HG11 VAL A 87 -2.602 10.438 -9.537 1.00 1.60 H new ATOM 0 HG12 VAL A 87 -3.329 12.015 -9.926 1.00 1.60 H new ATOM 0 HG13 VAL A 87 -4.341 10.707 -9.269 1.00 1.60 H new ATOM 0 HG21 VAL A 87 -3.128 8.438 -10.941 1.00 1.41 H new ATOM 0 HG22 VAL A 87 -4.867 8.708 -10.673 1.00 1.41 H new ATOM 0 HG23 VAL A 87 -4.230 8.592 -12.331 1.00 1.41 H new ATOM 1280 N ALA A 88 -4.020 12.962 -13.120 1.00 0.89 N ATOM 1281 CA ALA A 88 -3.679 14.351 -13.405 1.00 0.91 C ATOM 1282 C ALA A 88 -4.936 15.213 -13.456 1.00 0.91 C ATOM 1283 O ALA A 88 -5.001 16.270 -12.829 1.00 0.98 O ATOM 1284 CB ALA A 88 -2.941 14.442 -14.742 1.00 0.96 C ATOM 0 H ALA A 88 -3.656 12.288 -13.793 1.00 0.89 H new ATOM 0 HA ALA A 88 -3.034 14.718 -12.607 1.00 0.91 H new ATOM 0 HB1 ALA A 88 -2.689 15.482 -14.949 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -2.027 13.850 -14.694 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -3.580 14.059 -15.537 1.00 0.96 H new ATOM 1290 N THR A 89 -5.931 14.754 -14.207 1.00 0.94 N ATOM 1291 CA THR A 89 -7.183 15.492 -14.334 1.00 1.03 C ATOM 1292 C THR A 89 -7.960 15.458 -13.022 1.00 1.02 C ATOM 1293 O THR A 89 -8.518 16.469 -12.594 1.00 1.10 O ATOM 1294 CB THR A 89 -8.036 14.885 -15.449 1.00 1.16 C ATOM 1295 OG1 THR A 89 -7.227 14.043 -16.258 1.00 1.64 O ATOM 1296 CG2 THR A 89 -8.625 16.005 -16.308 1.00 1.79 C ATOM 0 H THR A 89 -5.896 13.881 -14.734 1.00 0.94 H new ATOM 0 HA THR A 89 -6.949 16.528 -14.578 1.00 1.03 H new ATOM 0 HB THR A 89 -8.845 14.300 -15.011 1.00 1.16 H new ATOM 0 HG1 THR A 89 -7.773 13.652 -16.972 1.00 1.64 H new ATOM 0 HG21 THR A 89 -9.233 15.573 -17.103 1.00 1.79 H new ATOM 0 HG22 THR A 89 -9.245 16.652 -15.687 1.00 1.79 H new ATOM 0 HG23 THR A 89 -7.817 16.590 -16.747 1.00 1.79 H new ATOM 1304 N MET A 90 -7.992 14.291 -12.388 1.00 1.02 N ATOM 1305 CA MET A 90 -8.704 14.137 -11.126 1.00 1.07 C ATOM 1306 C MET A 90 -8.246 15.188 -10.120 1.00 0.97 C ATOM 1307 O MET A 90 -9.064 15.878 -9.512 1.00 0.96 O ATOM 1308 CB MET A 90 -8.457 12.740 -10.554 1.00 1.18 C ATOM 1309 CG MET A 90 -9.768 12.175 -10.002 1.00 1.71 C ATOM 1310 SD MET A 90 -9.424 11.188 -8.524 1.00 2.51 S ATOM 1311 CE MET A 90 -10.703 9.935 -8.786 1.00 2.76 C ATOM 0 H MET A 90 -7.536 13.443 -12.725 1.00 1.02 H new ATOM 0 HA MET A 90 -9.769 14.270 -11.314 1.00 1.07 H new ATOM 0 HB2 MET A 90 -8.063 12.083 -11.329 1.00 1.18 H new ATOM 0 HB3 MET A 90 -7.707 12.786 -9.764 1.00 1.18 H new ATOM 0 HG2 MET A 90 -10.453 12.987 -9.759 1.00 1.71 H new ATOM 0 HG3 MET A 90 -10.258 11.560 -10.757 1.00 1.71 H new ATOM 0 HE1 MET A 90 -10.672 9.208 -7.974 1.00 2.76 H new ATOM 0 HE2 MET A 90 -11.682 10.413 -8.807 1.00 2.76 H new ATOM 0 HE3 MET A 90 -10.526 9.428 -9.734 1.00 2.76 H new ATOM 1321 N LEU A 91 -6.933 15.302 -9.949 1.00 0.93 N ATOM 1322 CA LEU A 91 -6.377 16.273 -9.013 1.00 0.89 C ATOM 1323 C LEU A 91 -6.823 17.685 -9.376 1.00 0.86 C ATOM 1324 O LEU A 91 -7.267 18.446 -8.516 1.00 0.88 O ATOM 1325 CB LEU A 91 -4.849 16.198 -9.032 1.00 0.92 C ATOM 1326 CG LEU A 91 -4.309 16.436 -7.621 1.00 1.12 C ATOM 1327 CD1 LEU A 91 -3.681 15.145 -7.091 1.00 1.74 C ATOM 1328 CD2 LEU A 91 -3.249 17.540 -7.659 1.00 1.74 C ATOM 0 H LEU A 91 -6.239 14.740 -10.441 1.00 0.93 H new ATOM 0 HA LEU A 91 -6.741 16.036 -8.013 1.00 0.89 H new ATOM 0 HB2 LEU A 91 -4.527 15.223 -9.396 1.00 0.92 H new ATOM 0 HB3 LEU A 91 -4.446 16.944 -9.718 1.00 0.92 H new ATOM 0 HG LEU A 91 -5.126 16.739 -6.966 1.00 1.12 H new ATOM 0 HD11 LEU A 91 -3.296 15.314 -6.085 1.00 1.74 H new ATOM 0 HD12 LEU A 91 -4.435 14.358 -7.063 1.00 1.74 H new ATOM 0 HD13 LEU A 91 -2.864 14.842 -7.746 1.00 1.74 H new ATOM 0 HD21 LEU A 91 -2.864 17.710 -6.653 1.00 1.74 H new ATOM 0 HD22 LEU A 91 -2.432 17.238 -8.314 1.00 1.74 H new ATOM 0 HD23 LEU A 91 -3.695 18.460 -8.037 1.00 1.74 H new ATOM 1340 N LYS A 92 -6.702 18.029 -10.654 1.00 0.91 N ATOM 1341 CA LYS A 92 -7.096 19.353 -11.119 1.00 0.96 C ATOM 1342 C LYS A 92 -8.525 19.669 -10.691 1.00 0.96 C ATOM 1343 O LYS A 92 -8.833 20.797 -10.306 1.00 1.02 O ATOM 1344 CB LYS A 92 -6.992 19.422 -12.644 1.00 1.05 C ATOM 1345 CG LYS A 92 -6.339 20.744 -13.052 1.00 1.62 C ATOM 1346 CD LYS A 92 -6.119 20.759 -14.566 1.00 1.89 C ATOM 1347 CE LYS A 92 -5.385 22.041 -14.962 1.00 2.32 C ATOM 1348 NZ LYS A 92 -6.212 22.805 -15.939 1.00 3.00 N ATOM 0 H LYS A 92 -6.337 17.414 -11.381 1.00 0.91 H new ATOM 0 HA LYS A 92 -6.425 20.088 -10.674 1.00 0.96 H new ATOM 0 HB2 LYS A 92 -6.404 18.583 -13.017 1.00 1.05 H new ATOM 0 HB3 LYS A 92 -7.983 19.341 -13.091 1.00 1.05 H new ATOM 0 HG2 LYS A 92 -6.972 21.581 -12.758 1.00 1.62 H new ATOM 0 HG3 LYS A 92 -5.388 20.867 -12.534 1.00 1.62 H new ATOM 0 HD2 LYS A 92 -5.539 19.887 -14.869 1.00 1.89 H new ATOM 0 HD3 LYS A 92 -7.076 20.701 -15.084 1.00 1.89 H new ATOM 0 HE2 LYS A 92 -5.191 22.650 -14.079 1.00 2.32 H new ATOM 0 HE3 LYS A 92 -4.417 21.798 -15.400 1.00 2.32 H new ATOM 0 HZ1 LYS A 92 -5.714 23.677 -16.209 1.00 3.00 H new ATOM 0 HZ2 LYS A 92 -6.375 22.223 -16.786 1.00 3.00 H new ATOM 0 HZ3 LYS A 92 -7.125 23.048 -15.505 1.00 3.00 H new ATOM 1362 N GLN A 93 -9.394 18.666 -10.761 1.00 0.99 N ATOM 1363 CA GLN A 93 -10.789 18.849 -10.378 1.00 1.04 C ATOM 1364 C GLN A 93 -10.902 19.136 -8.884 1.00 0.98 C ATOM 1365 O GLN A 93 -11.659 20.011 -8.466 1.00 1.02 O ATOM 1366 CB GLN A 93 -11.592 17.592 -10.719 1.00 1.17 C ATOM 1367 CG GLN A 93 -12.478 17.867 -11.950 1.00 1.60 C ATOM 1368 CD GLN A 93 -13.659 16.930 -12.029 1.00 2.19 C ATOM 1369 OE1 GLN A 93 -13.730 15.954 -11.283 1.00 3.01 O ATOM 1370 NE2 GLN A 93 -14.607 17.162 -12.896 1.00 2.57 N ATOM 0 H GLN A 93 -9.159 17.725 -11.077 1.00 0.99 H new ATOM 0 HA GLN A 93 -11.190 19.699 -10.931 1.00 1.04 H new ATOM 0 HB2 GLN A 93 -10.917 16.760 -10.922 1.00 1.17 H new ATOM 0 HB3 GLN A 93 -12.211 17.301 -9.870 1.00 1.17 H new ATOM 0 HG2 GLN A 93 -12.836 18.896 -11.914 1.00 1.60 H new ATOM 0 HG3 GLN A 93 -11.879 17.769 -12.855 1.00 1.60 H new ATOM 0 HE21 GLN A 93 -14.546 17.972 -13.514 1.00 2.57 H new ATOM 0 HE22 GLN A 93 -15.408 16.534 -12.956 1.00 2.57 H new ATOM 1379 N ALA A 94 -10.143 18.393 -8.085 1.00 0.95 N ATOM 1380 CA ALA A 94 -10.167 18.576 -6.639 1.00 0.95 C ATOM 1381 C ALA A 94 -9.802 20.012 -6.274 1.00 0.95 C ATOM 1382 O ALA A 94 -10.492 20.656 -5.485 1.00 0.99 O ATOM 1383 CB ALA A 94 -9.180 17.614 -5.975 1.00 1.02 C ATOM 0 H ALA A 94 -9.508 17.664 -8.411 1.00 0.95 H new ATOM 0 HA ALA A 94 -11.176 18.367 -6.282 1.00 0.95 H new ATOM 0 HB1 ALA A 94 -9.204 17.757 -4.895 1.00 1.02 H new ATOM 0 HB2 ALA A 94 -9.458 16.587 -6.211 1.00 1.02 H new ATOM 0 HB3 ALA A 94 -8.174 17.812 -6.345 1.00 1.02 H new ATOM 1389 N ILE A 95 -8.713 20.506 -6.854 1.00 0.97 N ATOM 1390 CA ILE A 95 -8.266 21.867 -6.583 1.00 1.07 C ATOM 1391 C ILE A 95 -9.180 22.878 -7.265 1.00 1.11 C ATOM 1392 O ILE A 95 -9.351 23.999 -6.785 1.00 1.26 O ATOM 1393 CB ILE A 95 -6.832 22.054 -7.084 1.00 1.15 C ATOM 1394 CG1 ILE A 95 -6.047 20.757 -6.878 1.00 1.26 C ATOM 1395 CG2 ILE A 95 -6.162 23.185 -6.302 1.00 1.78 C ATOM 1396 CD1 ILE A 95 -4.689 21.078 -6.251 1.00 1.42 C ATOM 0 H ILE A 95 -8.128 19.989 -7.510 1.00 0.97 H new ATOM 0 HA ILE A 95 -8.300 22.033 -5.506 1.00 1.07 H new ATOM 0 HB ILE A 95 -6.847 22.305 -8.145 1.00 1.15 H new ATOM 0 HG12 ILE A 95 -6.606 20.079 -6.233 1.00 1.26 H new ATOM 0 HG13 ILE A 95 -5.908 20.248 -7.832 1.00 1.26 H new ATOM 0 HG21 ILE A 95 -5.141 23.319 -6.658 1.00 1.78 H new ATOM 0 HG22 ILE A 95 -6.721 24.109 -6.448 1.00 1.78 H new ATOM 0 HG23 ILE A 95 -6.146 22.934 -5.241 1.00 1.78 H new ATOM 0 HD11 ILE A 95 -4.129 20.155 -6.104 1.00 1.42 H new ATOM 0 HD12 ILE A 95 -4.130 21.740 -6.913 1.00 1.42 H new ATOM 0 HD13 ILE A 95 -4.839 21.569 -5.289 1.00 1.42 H new ATOM 1408 N HIS A 96 -9.767 22.476 -8.388 1.00 1.07 N ATOM 1409 CA HIS A 96 -10.662 23.356 -9.128 1.00 1.23 C ATOM 1410 C HIS A 96 -11.972 23.549 -8.371 1.00 1.25 C ATOM 1411 O HIS A 96 -12.630 24.581 -8.503 1.00 1.43 O ATOM 1412 CB HIS A 96 -10.953 22.763 -10.508 1.00 1.29 C ATOM 1413 CG HIS A 96 -11.340 23.865 -11.456 1.00 1.68 C ATOM 1414 ND1 HIS A 96 -11.416 25.190 -11.057 1.00 2.33 N ATOM 1415 CD2 HIS A 96 -11.675 23.854 -12.788 1.00 2.32 C ATOM 1416 CE1 HIS A 96 -11.784 25.916 -12.129 1.00 2.88 C ATOM 1417 NE2 HIS A 96 -11.955 25.150 -13.210 1.00 2.86 N ATOM 0 H HIS A 96 -9.640 21.553 -8.803 1.00 1.07 H new ATOM 0 HA HIS A 96 -10.175 24.324 -9.242 1.00 1.23 H new ATOM 0 HB2 HIS A 96 -10.074 22.238 -10.883 1.00 1.29 H new ATOM 0 HB3 HIS A 96 -11.756 22.030 -10.438 1.00 1.29 H new ATOM 0 HD2 HIS A 96 -11.715 22.974 -13.412 1.00 2.32 H new ATOM 0 HE1 HIS A 96 -11.924 26.987 -12.117 1.00 2.88 H new ATOM 0 HE2 HIS A 96 -12.232 25.451 -14.145 1.00 2.86 H new ATOM 1426 N HIS A 97 -12.344 22.550 -7.578 1.00 1.20 N ATOM 1427 CA HIS A 97 -13.578 22.621 -6.804 1.00 1.26 C ATOM 1428 C HIS A 97 -13.324 23.272 -5.449 1.00 1.36 C ATOM 1429 O HIS A 97 -14.222 23.875 -4.861 1.00 1.58 O ATOM 1430 CB HIS A 97 -14.145 21.215 -6.597 1.00 1.29 C ATOM 1431 CG HIS A 97 -15.535 21.314 -6.030 1.00 1.81 C ATOM 1432 ND1 HIS A 97 -16.312 22.453 -6.172 1.00 2.47 N ATOM 1433 CD2 HIS A 97 -16.300 20.424 -5.318 1.00 2.51 C ATOM 1434 CE1 HIS A 97 -17.487 22.221 -5.559 1.00 3.13 C ATOM 1435 NE2 HIS A 97 -17.533 20.999 -5.022 1.00 3.14 N ATOM 0 H HIS A 97 -11.813 21.688 -7.455 1.00 1.20 H new ATOM 0 HA HIS A 97 -14.297 23.226 -7.356 1.00 1.26 H new ATOM 0 HB2 HIS A 97 -14.165 20.676 -7.544 1.00 1.29 H new ATOM 0 HB3 HIS A 97 -13.504 20.649 -5.921 1.00 1.29 H new ATOM 0 HD2 HIS A 97 -15.992 19.429 -5.031 1.00 2.51 H new ATOM 0 HE1 HIS A 97 -18.295 22.936 -5.507 1.00 3.13 H new ATOM 0 HE2 HIS A 97 -18.305 20.578 -4.506 1.00 3.14 H new ATOM 1566 N ASP B 11 -0.765 28.717 0.404 1.00 1.47 N ATOM 1567 CA ASP B 11 -1.860 28.150 1.183 1.00 1.34 C ATOM 1568 C ASP B 11 -2.669 27.172 0.338 1.00 1.25 C ATOM 1569 O ASP B 11 -3.366 26.308 0.869 1.00 1.25 O ATOM 1570 CB ASP B 11 -2.774 29.268 1.687 1.00 1.53 C ATOM 1571 CG ASP B 11 -1.983 30.565 1.826 1.00 2.12 C ATOM 1572 OD1 ASP B 11 -1.090 30.780 1.023 1.00 2.75 O ATOM 1573 OD2 ASP B 11 -2.282 31.324 2.733 1.00 2.69 O ATOM 0 HA ASP B 11 -1.437 27.614 2.033 1.00 1.34 H new ATOM 0 HB2 ASP B 11 -3.604 29.411 0.995 1.00 1.53 H new ATOM 0 HB3 ASP B 11 -3.206 28.991 2.649 1.00 1.53 H new ATOM 1578 N THR B 12 -2.572 27.315 -0.980 1.00 1.33 N ATOM 1579 CA THR B 12 -3.300 26.438 -1.889 1.00 1.39 C ATOM 1580 C THR B 12 -2.896 24.983 -1.670 1.00 1.19 C ATOM 1581 O THR B 12 -3.696 24.169 -1.210 1.00 1.19 O ATOM 1582 CB THR B 12 -3.013 26.836 -3.338 1.00 1.64 C ATOM 1583 OG1 THR B 12 -1.732 27.442 -3.418 1.00 1.93 O ATOM 1584 CG2 THR B 12 -4.077 27.826 -3.815 1.00 2.15 C ATOM 0 H THR B 12 -2.001 28.024 -1.439 1.00 1.33 H new ATOM 0 HA THR B 12 -4.366 26.541 -1.687 1.00 1.39 H new ATOM 0 HB THR B 12 -3.034 25.948 -3.970 1.00 1.64 H new ATOM 0 HG1 THR B 12 -1.547 27.695 -4.347 1.00 1.93 H new ATOM 0 HG21 THR B 12 -3.873 28.110 -4.847 1.00 2.15 H new ATOM 0 HG22 THR B 12 -5.061 27.360 -3.754 1.00 2.15 H new ATOM 0 HG23 THR B 12 -4.057 28.714 -3.184 1.00 2.15 H new ATOM 1592 N LEU B 13 -1.649 24.664 -2.003 1.00 1.14 N ATOM 1593 CA LEU B 13 -1.150 23.305 -1.839 1.00 1.03 C ATOM 1594 C LEU B 13 -1.329 22.837 -0.399 1.00 1.00 C ATOM 1595 O LEU B 13 -1.828 21.740 -0.150 1.00 0.99 O ATOM 1596 CB LEU B 13 0.332 23.245 -2.215 1.00 1.11 C ATOM 1597 CG LEU B 13 0.700 21.814 -2.613 1.00 1.05 C ATOM 1598 CD1 LEU B 13 0.697 21.691 -4.138 1.00 1.32 C ATOM 1599 CD2 LEU B 13 2.094 21.479 -2.077 1.00 1.65 C ATOM 0 H LEU B 13 -0.971 25.323 -2.385 1.00 1.14 H new ATOM 0 HA LEU B 13 -1.720 22.648 -2.496 1.00 1.03 H new ATOM 0 HB2 LEU B 13 0.537 23.927 -3.040 1.00 1.11 H new ATOM 0 HB3 LEU B 13 0.945 23.569 -1.374 1.00 1.11 H new ATOM 0 HG LEU B 13 -0.028 21.121 -2.192 1.00 1.05 H new ATOM 0 HD11 LEU B 13 0.959 20.672 -4.421 1.00 1.32 H new ATOM 0 HD12 LEU B 13 -0.295 21.930 -4.520 1.00 1.32 H new ATOM 0 HD13 LEU B 13 1.425 22.384 -4.560 1.00 1.32 H new ATOM 0 HD21 LEU B 13 2.357 20.460 -2.360 1.00 1.65 H new ATOM 0 HD22 LEU B 13 2.822 22.172 -2.498 1.00 1.65 H new ATOM 0 HD23 LEU B 13 2.097 21.566 -0.990 1.00 1.65 H new ATOM 1611 N GLU B 14 -0.920 23.677 0.546 1.00 1.01 N ATOM 1612 CA GLU B 14 -1.041 23.339 1.959 1.00 1.03 C ATOM 1613 C GLU B 14 -2.416 22.750 2.255 1.00 1.01 C ATOM 1614 O GLU B 14 -2.546 21.828 3.060 1.00 1.06 O ATOM 1615 CB GLU B 14 -0.826 24.590 2.815 1.00 1.11 C ATOM 1616 CG GLU B 14 -0.172 24.195 4.140 1.00 1.77 C ATOM 1617 CD GLU B 14 0.853 25.248 4.549 1.00 2.08 C ATOM 1618 OE1 GLU B 14 0.487 26.411 4.608 1.00 2.55 O ATOM 1619 OE2 GLU B 14 1.988 24.877 4.797 1.00 2.58 O ATOM 0 H GLU B 14 -0.505 24.590 0.361 1.00 1.01 H new ATOM 0 HA GLU B 14 -0.281 22.596 2.201 1.00 1.03 H new ATOM 0 HB2 GLU B 14 -0.195 25.303 2.284 1.00 1.11 H new ATOM 0 HB3 GLU B 14 -1.779 25.085 3.001 1.00 1.11 H new ATOM 0 HG2 GLU B 14 -0.932 24.095 4.915 1.00 1.77 H new ATOM 0 HG3 GLU B 14 0.312 23.223 4.041 1.00 1.77 H new ATOM 1626 N ARG B 15 -3.438 23.288 1.598 1.00 1.02 N ATOM 1627 CA ARG B 15 -4.800 22.807 1.798 1.00 1.05 C ATOM 1628 C ARG B 15 -4.917 21.342 1.388 1.00 0.95 C ATOM 1629 O ARG B 15 -5.252 20.484 2.205 1.00 0.93 O ATOM 1630 CB ARG B 15 -5.776 23.648 0.974 1.00 1.18 C ATOM 1631 CG ARG B 15 -6.427 24.701 1.873 1.00 1.75 C ATOM 1632 CD ARG B 15 -7.933 24.738 1.608 1.00 2.15 C ATOM 1633 NE ARG B 15 -8.224 25.593 0.463 1.00 2.58 N ATOM 1634 CZ ARG B 15 -8.680 26.830 0.628 1.00 3.06 C ATOM 1635 NH1 ARG B 15 -8.875 27.300 1.830 1.00 3.21 N ATOM 1636 NH2 ARG B 15 -8.934 27.576 -0.412 1.00 3.90 N ATOM 0 H ARG B 15 -3.351 24.052 0.927 1.00 1.02 H new ATOM 0 HA ARG B 15 -5.045 22.897 2.856 1.00 1.05 H new ATOM 0 HB2 ARG B 15 -5.250 24.132 0.151 1.00 1.18 H new ATOM 0 HB3 ARG B 15 -6.540 23.009 0.532 1.00 1.18 H new ATOM 0 HG2 ARG B 15 -6.237 24.468 2.921 1.00 1.75 H new ATOM 0 HG3 ARG B 15 -5.989 25.680 1.680 1.00 1.75 H new ATOM 0 HD2 ARG B 15 -8.301 23.729 1.420 1.00 2.15 H new ATOM 0 HD3 ARG B 15 -8.455 25.109 2.490 1.00 2.15 H new ATOM 0 HE ARG B 15 -8.075 25.235 -0.481 1.00 2.58 H new ATOM 0 HH11 ARG B 15 -8.677 26.718 2.644 1.00 3.21 H new ATOM 0 HH12 ARG B 15 -9.225 28.250 1.956 1.00 3.21 H new ATOM 0 HH21 ARG B 15 -8.783 27.210 -1.352 1.00 3.90 H new ATOM 0 HH22 ARG B 15 -9.284 28.526 -0.285 1.00 3.90 H new ATOM 1650 N VAL B 16 -4.640 21.064 0.119 1.00 0.95 N ATOM 1651 CA VAL B 16 -4.718 19.700 -0.388 1.00 0.92 C ATOM 1652 C VAL B 16 -3.947 18.745 0.518 1.00 0.90 C ATOM 1653 O VAL B 16 -4.116 17.528 0.441 1.00 0.88 O ATOM 1654 CB VAL B 16 -4.141 19.636 -1.804 1.00 1.03 C ATOM 1655 CG1 VAL B 16 -5.008 18.717 -2.667 1.00 1.41 C ATOM 1656 CG2 VAL B 16 -4.126 21.040 -2.412 1.00 1.58 C ATOM 0 H VAL B 16 -4.361 21.760 -0.573 1.00 0.95 H new ATOM 0 HA VAL B 16 -5.766 19.400 -0.407 1.00 0.92 H new ATOM 0 HB VAL B 16 -3.124 19.245 -1.765 1.00 1.03 H new ATOM 0 HG11 VAL B 16 -4.597 18.671 -3.676 1.00 1.41 H new ATOM 0 HG12 VAL B 16 -5.020 17.717 -2.234 1.00 1.41 H new ATOM 0 HG13 VAL B 16 -6.025 19.108 -2.707 1.00 1.41 H new ATOM 0 HG21 VAL B 16 -3.715 20.995 -3.421 1.00 1.58 H new ATOM 0 HG22 VAL B 16 -5.143 21.430 -2.451 1.00 1.58 H new ATOM 0 HG23 VAL B 16 -3.509 21.696 -1.798 1.00 1.58 H new ATOM 1666 N THR B 17 -3.102 19.306 1.377 1.00 0.94 N ATOM 1667 CA THR B 17 -2.311 18.494 2.294 1.00 0.99 C ATOM 1668 C THR B 17 -3.105 18.184 3.558 1.00 0.96 C ATOM 1669 O THR B 17 -2.807 17.226 4.272 1.00 1.03 O ATOM 1670 CB THR B 17 -1.024 19.234 2.667 1.00 1.11 C ATOM 1671 OG1 THR B 17 -0.759 20.239 1.700 1.00 1.61 O ATOM 1672 CG2 THR B 17 0.145 18.239 2.706 1.00 1.53 C ATOM 0 H THR B 17 -2.948 20.311 1.457 1.00 0.94 H new ATOM 0 HA THR B 17 -2.062 17.557 1.797 1.00 0.99 H new ATOM 0 HB THR B 17 -1.141 19.696 3.647 1.00 1.11 H new ATOM 0 HG1 THR B 17 0.187 20.493 1.742 1.00 1.61 H new ATOM 0 HG21 THR B 17 1.062 18.765 2.972 1.00 1.53 H new ATOM 0 HG22 THR B 17 -0.059 17.467 3.448 1.00 1.53 H new ATOM 0 HG23 THR B 17 0.263 17.777 1.726 1.00 1.53 H new ATOM 1680 N GLU B 18 -4.118 19.001 3.830 1.00 0.91 N ATOM 1681 CA GLU B 18 -4.949 18.804 5.012 1.00 0.92 C ATOM 1682 C GLU B 18 -5.927 17.654 4.795 1.00 0.89 C ATOM 1683 O GLU B 18 -6.143 16.834 5.687 1.00 0.94 O ATOM 1684 CB GLU B 18 -5.727 20.085 5.321 1.00 0.94 C ATOM 1685 CG GLU B 18 -5.152 20.739 6.579 1.00 1.55 C ATOM 1686 CD GLU B 18 -6.106 21.814 7.090 1.00 1.92 C ATOM 1687 OE1 GLU B 18 -7.143 21.453 7.622 1.00 2.48 O ATOM 1688 OE2 GLU B 18 -5.786 22.982 6.942 1.00 2.43 O ATOM 0 H GLU B 18 -4.382 19.800 3.253 1.00 0.91 H new ATOM 0 HA GLU B 18 -4.300 18.560 5.853 1.00 0.92 H new ATOM 0 HB2 GLU B 18 -5.664 20.774 4.479 1.00 0.94 H new ATOM 0 HB3 GLU B 18 -6.783 19.856 5.467 1.00 0.94 H new ATOM 0 HG2 GLU B 18 -4.993 19.986 7.350 1.00 1.55 H new ATOM 0 HG3 GLU B 18 -4.180 21.179 6.358 1.00 1.55 H new ATOM 1695 N ILE B 19 -6.515 17.601 3.604 1.00 0.89 N ATOM 1696 CA ILE B 19 -7.469 16.547 3.281 1.00 0.92 C ATOM 1697 C ILE B 19 -6.862 15.174 3.550 1.00 0.90 C ATOM 1698 O ILE B 19 -7.342 14.429 4.405 1.00 0.91 O ATOM 1699 CB ILE B 19 -7.877 16.646 1.810 1.00 0.99 C ATOM 1700 CG1 ILE B 19 -7.497 18.025 1.267 1.00 1.10 C ATOM 1701 CG2 ILE B 19 -9.389 16.449 1.686 1.00 1.70 C ATOM 1702 CD1 ILE B 19 -8.122 18.219 -0.116 1.00 1.18 C ATOM 0 H ILE B 19 -6.349 18.270 2.852 1.00 0.89 H new ATOM 0 HA ILE B 19 -8.349 16.673 3.912 1.00 0.92 H new ATOM 0 HB ILE B 19 -7.361 15.875 1.237 1.00 0.99 H new ATOM 0 HG12 ILE B 19 -7.844 18.803 1.947 1.00 1.10 H new ATOM 0 HG13 ILE B 19 -6.413 18.117 1.204 1.00 1.10 H new ATOM 0 HG21 ILE B 19 -9.680 16.519 0.638 1.00 1.70 H new ATOM 0 HG22 ILE B 19 -9.661 15.467 2.073 1.00 1.70 H new ATOM 0 HG23 ILE B 19 -9.905 17.220 2.259 1.00 1.70 H new ATOM 0 HD11 ILE B 19 -7.851 19.201 -0.503 1.00 1.18 H new ATOM 0 HD12 ILE B 19 -7.754 17.448 -0.793 1.00 1.18 H new ATOM 0 HD13 ILE B 19 -9.207 18.146 -0.039 1.00 1.18 H new ATOM 1714 N PHE B 20 -5.805 14.845 2.814 1.00 0.92 N ATOM 1715 CA PHE B 20 -5.141 13.558 2.982 1.00 0.93 C ATOM 1716 C PHE B 20 -4.705 13.364 4.431 1.00 0.96 C ATOM 1717 O PHE B 20 -4.805 12.265 4.977 1.00 1.00 O ATOM 1718 CB PHE B 20 -3.918 13.479 2.066 1.00 0.92 C ATOM 1719 CG PHE B 20 -4.352 13.659 0.631 1.00 0.89 C ATOM 1720 CD1 PHE B 20 -5.179 12.705 0.025 1.00 0.94 C ATOM 1721 CD2 PHE B 20 -3.928 14.779 -0.094 1.00 0.90 C ATOM 1722 CE1 PHE B 20 -5.581 12.871 -1.305 1.00 1.00 C ATOM 1723 CE2 PHE B 20 -4.330 14.945 -1.425 1.00 0.94 C ATOM 1724 CZ PHE B 20 -5.157 13.991 -2.030 1.00 0.99 C ATOM 0 H PHE B 20 -5.393 15.447 2.101 1.00 0.92 H new ATOM 0 HA PHE B 20 -5.846 12.770 2.718 1.00 0.93 H new ATOM 0 HB2 PHE B 20 -3.196 14.249 2.338 1.00 0.92 H new ATOM 0 HB3 PHE B 20 -3.420 12.517 2.189 1.00 0.92 H new ATOM 0 HD1 PHE B 20 -5.507 11.841 0.584 1.00 0.94 H new ATOM 0 HD2 PHE B 20 -3.291 15.515 0.373 1.00 0.90 H new ATOM 0 HE1 PHE B 20 -6.218 12.135 -1.772 1.00 1.00 H new ATOM 0 HE2 PHE B 20 -4.002 15.809 -1.985 1.00 0.94 H new ATOM 0 HZ PHE B 20 -5.468 14.119 -3.056 1.00 0.99 H new ATOM 1734 N LYS B 21 -4.223 14.437 5.047 1.00 0.96 N ATOM 1735 CA LYS B 21 -3.775 14.373 6.434 1.00 1.02 C ATOM 1736 C LYS B 21 -4.918 13.947 7.348 1.00 0.99 C ATOM 1737 O LYS B 21 -4.722 13.173 8.284 1.00 1.05 O ATOM 1738 CB LYS B 21 -3.249 15.740 6.875 1.00 1.11 C ATOM 1739 CG LYS B 21 -2.196 15.552 7.969 1.00 1.44 C ATOM 1740 CD LYS B 21 -1.488 16.884 8.230 1.00 1.99 C ATOM 1741 CE LYS B 21 -0.196 16.630 9.010 1.00 2.66 C ATOM 1742 NZ LYS B 21 -0.483 16.662 10.471 1.00 3.27 N ATOM 0 H LYS B 21 -4.132 15.355 4.613 1.00 0.96 H new ATOM 0 HA LYS B 21 -2.976 13.635 6.504 1.00 1.02 H new ATOM 0 HB2 LYS B 21 -2.816 16.266 6.025 1.00 1.11 H new ATOM 0 HB3 LYS B 21 -4.069 16.355 7.246 1.00 1.11 H new ATOM 0 HG2 LYS B 21 -2.667 15.193 8.884 1.00 1.44 H new ATOM 0 HG3 LYS B 21 -1.472 14.796 7.665 1.00 1.44 H new ATOM 0 HD2 LYS B 21 -1.264 17.380 7.286 1.00 1.99 H new ATOM 0 HD3 LYS B 21 -2.141 17.551 8.793 1.00 1.99 H new ATOM 0 HE2 LYS B 21 0.225 15.664 8.732 1.00 2.66 H new ATOM 0 HE3 LYS B 21 0.548 17.386 8.758 1.00 2.66 H new ATOM 0 HZ1 LYS B 21 0.395 16.489 11.001 1.00 3.27 H new ATOM 0 HZ2 LYS B 21 -0.866 17.594 10.729 1.00 3.27 H new ATOM 0 HZ3 LYS B 21 -1.179 15.925 10.704 1.00 3.27 H new ATOM 1756 N ALA B 22 -6.113 14.458 7.070 1.00 0.97 N ATOM 1757 CA ALA B 22 -7.282 14.123 7.875 1.00 0.96 C ATOM 1758 C ALA B 22 -7.420 12.611 8.018 1.00 0.94 C ATOM 1759 O ALA B 22 -7.733 12.107 9.096 1.00 0.96 O ATOM 1760 CB ALA B 22 -8.544 14.692 7.222 1.00 1.00 C ATOM 0 H ALA B 22 -6.297 15.101 6.300 1.00 0.97 H new ATOM 0 HA ALA B 22 -7.155 14.560 8.866 1.00 0.96 H new ATOM 0 HB1 ALA B 22 -9.413 14.438 7.828 1.00 1.00 H new ATOM 0 HB2 ALA B 22 -8.458 15.776 7.147 1.00 1.00 H new ATOM 0 HB3 ALA B 22 -8.661 14.268 6.225 1.00 1.00 H new ATOM 1766 N LEU B 23 -7.183 11.894 6.925 1.00 0.95 N ATOM 1767 CA LEU B 23 -7.284 10.440 6.941 1.00 1.00 C ATOM 1768 C LEU B 23 -6.418 9.854 8.051 1.00 1.04 C ATOM 1769 O LEU B 23 -5.396 10.430 8.424 1.00 1.17 O ATOM 1770 CB LEU B 23 -6.838 9.871 5.592 1.00 1.10 C ATOM 1771 CG LEU B 23 -7.871 10.229 4.521 1.00 1.30 C ATOM 1772 CD1 LEU B 23 -7.186 10.299 3.155 1.00 1.65 C ATOM 1773 CD2 LEU B 23 -8.964 9.159 4.490 1.00 1.82 C ATOM 0 H LEU B 23 -6.922 12.292 6.023 1.00 0.95 H new ATOM 0 HA LEU B 23 -8.324 10.170 7.125 1.00 1.00 H new ATOM 0 HB2 LEU B 23 -5.862 10.273 5.320 1.00 1.10 H new ATOM 0 HB3 LEU B 23 -6.729 8.789 5.660 1.00 1.10 H new ATOM 0 HG LEU B 23 -8.316 11.196 4.754 1.00 1.30 H new ATOM 0 HD11 LEU B 23 -7.921 10.554 2.392 1.00 1.65 H new ATOM 0 HD12 LEU B 23 -6.407 11.061 3.177 1.00 1.65 H new ATOM 0 HD13 LEU B 23 -6.741 9.332 2.921 1.00 1.65 H new ATOM 0 HD21 LEU B 23 -9.700 9.413 3.728 1.00 1.82 H new ATOM 0 HD22 LEU B 23 -8.519 8.191 4.257 1.00 1.82 H new ATOM 0 HD23 LEU B 23 -9.452 9.109 5.463 1.00 1.82 H new ATOM 1785 N GLY B 24 -6.834 8.706 8.576 1.00 1.20 N ATOM 1786 CA GLY B 24 -6.089 8.051 9.645 1.00 1.35 C ATOM 1787 C GLY B 24 -6.289 6.540 9.601 1.00 1.30 C ATOM 1788 O GLY B 24 -5.716 5.853 8.756 1.00 1.92 O ATOM 0 H GLY B 24 -7.677 8.213 8.281 1.00 1.20 H new ATOM 0 HA2 GLY B 24 -5.028 8.284 9.550 1.00 1.35 H new ATOM 0 HA3 GLY B 24 -6.415 8.437 10.611 1.00 1.35 H new ATOM 1792 N ASP B 25 -7.106 6.030 10.516 1.00 1.14 N ATOM 1793 CA ASP B 25 -7.376 4.598 10.573 1.00 1.14 C ATOM 1794 C ASP B 25 -8.299 4.181 9.433 1.00 1.09 C ATOM 1795 O ASP B 25 -9.195 4.929 9.041 1.00 1.40 O ATOM 1796 CB ASP B 25 -8.023 4.242 11.912 1.00 1.40 C ATOM 1797 CG ASP B 25 -7.397 5.070 13.030 1.00 2.05 C ATOM 1798 OD1 ASP B 25 -6.748 6.054 12.718 1.00 2.47 O ATOM 1799 OD2 ASP B 25 -7.577 4.707 14.181 1.00 2.75 O ATOM 0 H ASP B 25 -7.590 6.582 11.224 1.00 1.14 H new ATOM 0 HA ASP B 25 -6.431 4.065 10.473 1.00 1.14 H new ATOM 0 HB2 ASP B 25 -9.096 4.428 11.868 1.00 1.40 H new ATOM 0 HB3 ASP B 25 -7.892 3.180 12.118 1.00 1.40 H new ATOM 1804 N TYR B 26 -8.075 2.981 8.906 1.00 1.12 N ATOM 1805 CA TYR B 26 -8.894 2.474 7.812 1.00 1.21 C ATOM 1806 C TYR B 26 -10.329 2.245 8.276 1.00 1.06 C ATOM 1807 O TYR B 26 -11.278 2.697 7.637 1.00 1.08 O ATOM 1808 CB TYR B 26 -8.310 1.160 7.289 1.00 1.54 C ATOM 1809 CG TYR B 26 -7.177 0.722 8.185 1.00 1.76 C ATOM 1810 CD1 TYR B 26 -6.403 1.678 8.853 1.00 2.35 C ATOM 1811 CD2 TYR B 26 -6.900 -0.641 8.347 1.00 2.38 C ATOM 1812 CE1 TYR B 26 -5.352 1.271 9.684 1.00 3.03 C ATOM 1813 CE2 TYR B 26 -5.849 -1.048 9.177 1.00 3.12 C ATOM 1814 CZ TYR B 26 -5.075 -0.092 9.846 1.00 3.28 C ATOM 1815 OH TYR B 26 -4.039 -0.493 10.665 1.00 4.19 O ATOM 0 H TYR B 26 -7.339 2.346 9.216 1.00 1.12 H new ATOM 0 HA TYR B 26 -8.897 3.215 7.013 1.00 1.21 H new ATOM 0 HB2 TYR B 26 -9.083 0.392 7.260 1.00 1.54 H new ATOM 0 HB3 TYR B 26 -7.951 1.290 6.268 1.00 1.54 H new ATOM 0 HD1 TYR B 26 -6.616 2.729 8.728 1.00 2.35 H new ATOM 0 HD2 TYR B 26 -7.497 -1.378 7.831 1.00 2.38 H new ATOM 0 HE1 TYR B 26 -4.755 2.008 10.200 1.00 3.03 H new ATOM 0 HE2 TYR B 26 -5.635 -2.099 9.301 1.00 3.12 H new ATOM 0 HH TYR B 26 -3.983 -1.471 10.667 1.00 4.19 H new ATOM 1825 N ASN B 27 -10.478 1.539 9.392 1.00 1.07 N ATOM 1826 CA ASN B 27 -11.802 1.256 9.933 1.00 1.09 C ATOM 1827 C ASN B 27 -12.718 2.465 9.771 1.00 1.02 C ATOM 1828 O ASN B 27 -13.935 2.322 9.651 1.00 1.08 O ATOM 1829 CB ASN B 27 -11.693 0.893 11.416 1.00 1.38 C ATOM 1830 CG ASN B 27 -10.573 -0.122 11.622 1.00 2.14 C ATOM 1831 OD1 ASN B 27 -10.126 -0.757 10.667 1.00 2.91 O ATOM 1832 ND2 ASN B 27 -10.090 -0.312 12.819 1.00 2.73 N ATOM 0 H ASN B 27 -9.705 1.155 9.936 1.00 1.07 H new ATOM 0 HA ASN B 27 -12.226 0.416 9.382 1.00 1.09 H new ATOM 0 HB2 ASN B 27 -11.496 1.789 12.005 1.00 1.38 H new ATOM 0 HB3 ASN B 27 -12.638 0.481 11.769 1.00 1.38 H new ATOM 0 HD21 ASN B 27 -9.340 -0.988 12.965 1.00 2.73 H new ATOM 0 HD22 ASN B 27 -10.462 0.215 13.609 1.00 2.73 H new ATOM 1839 N ARG B 28 -12.125 3.654 9.770 1.00 1.03 N ATOM 1840 CA ARG B 28 -12.898 4.882 9.622 1.00 1.18 C ATOM 1841 C ARG B 28 -13.831 4.787 8.419 1.00 1.08 C ATOM 1842 O ARG B 28 -15.029 5.051 8.528 1.00 1.20 O ATOM 1843 CB ARG B 28 -11.955 6.073 9.444 1.00 1.42 C ATOM 1844 CG ARG B 28 -12.729 7.252 8.851 1.00 2.07 C ATOM 1845 CD ARG B 28 -11.743 8.314 8.359 1.00 2.57 C ATOM 1846 NE ARG B 28 -11.164 9.028 9.491 1.00 3.31 N ATOM 1847 CZ ARG B 28 -10.386 10.090 9.308 1.00 4.07 C ATOM 1848 NH1 ARG B 28 -10.129 10.510 8.100 1.00 4.19 N ATOM 1849 NH2 ARG B 28 -9.879 10.712 10.337 1.00 5.03 N ATOM 0 H ARG B 28 -11.119 3.794 9.869 1.00 1.03 H new ATOM 0 HA ARG B 28 -13.497 5.023 10.522 1.00 1.18 H new ATOM 0 HB2 ARG B 28 -11.522 6.354 10.404 1.00 1.42 H new ATOM 0 HB3 ARG B 28 -11.128 5.801 8.789 1.00 1.42 H new ATOM 0 HG2 ARG B 28 -13.355 6.912 8.026 1.00 2.07 H new ATOM 0 HG3 ARG B 28 -13.395 7.678 9.602 1.00 2.07 H new ATOM 0 HD2 ARG B 28 -10.953 7.844 7.774 1.00 2.57 H new ATOM 0 HD3 ARG B 28 -12.253 9.016 7.699 1.00 2.57 H new ATOM 0 HE ARG B 28 -11.359 8.707 10.439 1.00 3.31 H new ATOM 0 HH11 ARG B 28 -10.525 10.023 7.296 1.00 4.19 H new ATOM 0 HH12 ARG B 28 -9.532 11.325 7.960 1.00 4.19 H new ATOM 0 HH21 ARG B 28 -10.080 10.383 11.281 1.00 5.03 H new ATOM 0 HH22 ARG B 28 -9.282 11.527 10.197 1.00 5.03 H new ATOM 1863 N ILE B 29 -13.275 4.408 7.273 1.00 0.96 N ATOM 1864 CA ILE B 29 -14.067 4.281 6.056 1.00 0.97 C ATOM 1865 C ILE B 29 -15.298 3.416 6.304 1.00 0.90 C ATOM 1866 O ILE B 29 -16.388 3.716 5.818 1.00 0.92 O ATOM 1867 CB ILE B 29 -13.220 3.658 4.945 1.00 0.97 C ATOM 1868 CG1 ILE B 29 -12.729 4.757 4.001 1.00 1.30 C ATOM 1869 CG2 ILE B 29 -14.066 2.653 4.161 1.00 1.54 C ATOM 1870 CD1 ILE B 29 -11.905 4.131 2.874 1.00 1.46 C ATOM 0 H ILE B 29 -12.286 4.185 7.162 1.00 0.96 H new ATOM 0 HA ILE B 29 -14.392 5.276 5.752 1.00 0.97 H new ATOM 0 HB ILE B 29 -12.363 3.147 5.385 1.00 0.97 H new ATOM 0 HG12 ILE B 29 -13.578 5.301 3.586 1.00 1.30 H new ATOM 0 HG13 ILE B 29 -12.125 5.479 4.550 1.00 1.30 H new ATOM 0 HG21 ILE B 29 -13.463 2.209 3.369 1.00 1.54 H new ATOM 0 HG22 ILE B 29 -14.416 1.870 4.833 1.00 1.54 H new ATOM 0 HG23 ILE B 29 -14.923 3.163 3.721 1.00 1.54 H new ATOM 0 HD11 ILE B 29 -11.555 4.914 2.201 1.00 1.46 H new ATOM 0 HD12 ILE B 29 -11.048 3.607 3.298 1.00 1.46 H new ATOM 0 HD13 ILE B 29 -12.524 3.426 2.319 1.00 1.46 H new ATOM 1882 N ARG B 30 -15.116 2.341 7.064 1.00 0.85 N ATOM 1883 CA ARG B 30 -16.219 1.438 7.371 1.00 0.84 C ATOM 1884 C ARG B 30 -17.415 2.216 7.910 1.00 0.81 C ATOM 1885 O ARG B 30 -18.495 2.200 7.321 1.00 0.82 O ATOM 1886 CB ARG B 30 -15.774 0.403 8.405 1.00 0.88 C ATOM 1887 CG ARG B 30 -15.739 -0.983 7.757 1.00 1.56 C ATOM 1888 CD ARG B 30 -15.367 -2.029 8.810 1.00 1.69 C ATOM 1889 NE ARG B 30 -14.387 -2.964 8.270 1.00 2.09 N ATOM 1890 CZ ARG B 30 -14.117 -4.109 8.887 1.00 2.40 C ATOM 1891 NH1 ARG B 30 -14.733 -4.414 9.996 1.00 2.54 N ATOM 1892 NH2 ARG B 30 -13.236 -4.930 8.384 1.00 3.19 N ATOM 0 H ARG B 30 -14.222 2.075 7.476 1.00 0.85 H new ATOM 0 HA ARG B 30 -16.514 0.931 6.453 1.00 0.84 H new ATOM 0 HB2 ARG B 30 -14.788 0.660 8.792 1.00 0.88 H new ATOM 0 HB3 ARG B 30 -16.459 0.403 9.253 1.00 0.88 H new ATOM 0 HG2 ARG B 30 -16.711 -1.218 7.323 1.00 1.56 H new ATOM 0 HG3 ARG B 30 -15.014 -0.997 6.943 1.00 1.56 H new ATOM 0 HD2 ARG B 30 -14.962 -1.537 9.694 1.00 1.69 H new ATOM 0 HD3 ARG B 30 -16.259 -2.569 9.127 1.00 1.69 H new ATOM 0 HE ARG B 30 -13.900 -2.735 7.403 1.00 2.09 H new ATOM 0 HH11 ARG B 30 -15.422 -3.773 10.389 1.00 2.54 H new ATOM 0 HH12 ARG B 30 -14.525 -5.293 10.469 1.00 2.54 H new ATOM 0 HH21 ARG B 30 -12.754 -4.693 7.517 1.00 3.19 H new ATOM 0 HH22 ARG B 30 -13.029 -5.809 8.858 1.00 3.19 H new ATOM 1906 N ILE B 31 -17.213 2.896 9.034 1.00 0.81 N ATOM 1907 CA ILE B 31 -18.282 3.677 9.645 1.00 0.81 C ATOM 1908 C ILE B 31 -18.898 4.631 8.627 1.00 0.80 C ATOM 1909 O ILE B 31 -20.120 4.754 8.537 1.00 0.82 O ATOM 1910 CB ILE B 31 -17.733 4.477 10.828 1.00 0.86 C ATOM 1911 CG1 ILE B 31 -16.447 3.821 11.334 1.00 1.09 C ATOM 1912 CG2 ILE B 31 -18.770 4.500 11.953 1.00 1.61 C ATOM 1913 CD1 ILE B 31 -15.856 4.663 12.467 1.00 1.10 C ATOM 0 H ILE B 31 -16.326 2.922 9.537 1.00 0.81 H new ATOM 0 HA ILE B 31 -19.053 2.991 9.996 1.00 0.81 H new ATOM 0 HB ILE B 31 -17.520 5.497 10.509 1.00 0.86 H new ATOM 0 HG12 ILE B 31 -16.656 2.811 11.688 1.00 1.09 H new ATOM 0 HG13 ILE B 31 -15.728 3.731 10.520 1.00 1.09 H new ATOM 0 HG21 ILE B 31 -18.380 5.070 12.796 1.00 1.61 H new ATOM 0 HG22 ILE B 31 -19.687 4.967 11.593 1.00 1.61 H new ATOM 0 HG23 ILE B 31 -18.983 3.480 12.272 1.00 1.61 H new ATOM 0 HD11 ILE B 31 -14.940 4.196 12.828 1.00 1.10 H new ATOM 0 HD12 ILE B 31 -15.632 5.664 12.098 1.00 1.10 H new ATOM 0 HD13 ILE B 31 -16.575 4.730 13.284 1.00 1.10 H new ATOM 1925 N MET B 32 -18.045 5.305 7.863 1.00 0.84 N ATOM 1926 CA MET B 32 -18.517 6.246 6.854 1.00 0.88 C ATOM 1927 C MET B 32 -19.527 5.577 5.927 1.00 0.87 C ATOM 1928 O MET B 32 -20.569 6.151 5.611 1.00 0.89 O ATOM 1929 CB MET B 32 -17.336 6.766 6.033 1.00 0.95 C ATOM 1930 CG MET B 32 -17.427 8.289 5.916 1.00 1.23 C ATOM 1931 SD MET B 32 -16.078 8.896 4.874 1.00 1.99 S ATOM 1932 CE MET B 32 -16.819 10.502 4.454 1.00 2.31 C ATOM 0 H MET B 32 -17.030 5.218 7.922 1.00 0.84 H new ATOM 0 HA MET B 32 -19.003 7.080 7.361 1.00 0.88 H new ATOM 0 HB2 MET B 32 -16.397 6.483 6.508 1.00 0.95 H new ATOM 0 HB3 MET B 32 -17.341 6.313 5.041 1.00 0.95 H new ATOM 0 HG2 MET B 32 -18.388 8.575 5.488 1.00 1.23 H new ATOM 0 HG3 MET B 32 -17.370 8.744 6.905 1.00 1.23 H new ATOM 0 HE1 MET B 32 -16.142 11.056 3.804 1.00 2.31 H new ATOM 0 HE2 MET B 32 -17.767 10.342 3.940 1.00 2.31 H new ATOM 0 HE3 MET B 32 -16.993 11.072 5.367 1.00 2.31 H new ATOM 1942 N GLU B 33 -19.210 4.361 5.494 1.00 0.89 N ATOM 1943 CA GLU B 33 -20.098 3.623 4.603 1.00 0.94 C ATOM 1944 C GLU B 33 -21.478 3.465 5.231 1.00 0.93 C ATOM 1945 O GLU B 33 -22.488 3.845 4.638 1.00 1.03 O ATOM 1946 CB GLU B 33 -19.509 2.242 4.307 1.00 1.00 C ATOM 1947 CG GLU B 33 -19.672 1.927 2.819 1.00 1.53 C ATOM 1948 CD GLU B 33 -18.709 0.816 2.414 1.00 1.82 C ATOM 1949 OE1 GLU B 33 -17.513 1.056 2.440 1.00 2.29 O ATOM 1950 OE2 GLU B 33 -19.181 -0.260 2.084 1.00 2.33 O ATOM 0 H GLU B 33 -18.352 3.869 5.743 1.00 0.89 H new ATOM 0 HA GLU B 33 -20.197 4.183 3.673 1.00 0.94 H new ATOM 0 HB2 GLU B 33 -18.454 2.218 4.581 1.00 1.00 H new ATOM 0 HB3 GLU B 33 -20.012 1.484 4.907 1.00 1.00 H new ATOM 0 HG2 GLU B 33 -20.698 1.623 2.613 1.00 1.53 H new ATOM 0 HG3 GLU B 33 -19.479 2.821 2.226 1.00 1.53 H new ATOM 1957 N LEU B 34 -21.514 2.901 6.434 1.00 0.94 N ATOM 1958 CA LEU B 34 -22.777 2.697 7.133 1.00 0.95 C ATOM 1959 C LEU B 34 -23.481 4.029 7.369 1.00 0.92 C ATOM 1960 O LEU B 34 -24.709 4.108 7.332 1.00 0.92 O ATOM 1961 CB LEU B 34 -22.524 2.007 8.476 1.00 1.03 C ATOM 1962 CG LEU B 34 -23.858 1.571 9.085 1.00 1.10 C ATOM 1963 CD1 LEU B 34 -24.371 0.329 8.354 1.00 1.60 C ATOM 1964 CD2 LEU B 34 -23.660 1.246 10.566 1.00 1.38 C ATOM 0 H LEU B 34 -20.690 2.579 6.942 1.00 0.94 H new ATOM 0 HA LEU B 34 -23.415 2.067 6.514 1.00 0.95 H new ATOM 0 HB2 LEU B 34 -21.876 1.142 8.336 1.00 1.03 H new ATOM 0 HB3 LEU B 34 -22.007 2.686 9.154 1.00 1.03 H new ATOM 0 HG LEU B 34 -24.584 2.377 8.984 1.00 1.10 H new ATOM 0 HD11 LEU B 34 -25.321 0.018 8.788 1.00 1.60 H new ATOM 0 HD12 LEU B 34 -24.512 0.561 7.298 1.00 1.60 H new ATOM 0 HD13 LEU B 34 -23.645 -0.478 8.454 1.00 1.60 H new ATOM 0 HD21 LEU B 34 -24.610 0.935 11.001 1.00 1.38 H new ATOM 0 HD22 LEU B 34 -22.934 0.440 10.668 1.00 1.38 H new ATOM 0 HD23 LEU B 34 -23.295 2.131 11.087 1.00 1.38 H new ATOM 1976 N LEU B 35 -22.695 5.073 7.613 1.00 0.93 N ATOM 1977 CA LEU B 35 -23.255 6.398 7.853 1.00 0.97 C ATOM 1978 C LEU B 35 -23.917 6.938 6.591 1.00 0.99 C ATOM 1979 O LEU B 35 -24.966 7.579 6.654 1.00 1.05 O ATOM 1980 CB LEU B 35 -22.150 7.356 8.302 1.00 1.08 C ATOM 1981 CG LEU B 35 -22.403 7.787 9.748 1.00 0.95 C ATOM 1982 CD1 LEU B 35 -23.168 9.112 9.759 1.00 1.64 C ATOM 1983 CD2 LEU B 35 -23.231 6.715 10.461 1.00 1.66 C ATOM 0 H LEU B 35 -21.677 5.028 7.650 1.00 0.93 H new ATOM 0 HA LEU B 35 -24.008 6.317 8.637 1.00 0.97 H new ATOM 0 HB2 LEU B 35 -21.178 6.870 8.221 1.00 1.08 H new ATOM 0 HB3 LEU B 35 -22.125 8.229 7.650 1.00 1.08 H new ATOM 0 HG LEU B 35 -21.450 7.913 10.262 1.00 0.95 H new ATOM 0 HD11 LEU B 35 -23.348 9.419 10.789 1.00 1.64 H new ATOM 0 HD12 LEU B 35 -22.580 9.876 9.250 1.00 1.64 H new ATOM 0 HD13 LEU B 35 -24.121 8.986 9.246 1.00 1.64 H new ATOM 0 HD21 LEU B 35 -23.412 7.021 11.491 1.00 1.66 H new ATOM 0 HD22 LEU B 35 -24.184 6.590 9.947 1.00 1.66 H new ATOM 0 HD23 LEU B 35 -22.687 5.770 10.453 1.00 1.66 H new ATOM 1995 N SER B 36 -23.298 6.675 5.444 1.00 1.02 N ATOM 1996 CA SER B 36 -23.837 7.140 4.172 1.00 1.10 C ATOM 1997 C SER B 36 -25.319 6.799 4.060 1.00 1.10 C ATOM 1998 O SER B 36 -26.086 7.521 3.424 1.00 1.21 O ATOM 1999 CB SER B 36 -23.075 6.492 3.015 1.00 1.18 C ATOM 2000 OG SER B 36 -22.216 7.452 2.418 1.00 1.87 O ATOM 0 H SER B 36 -22.429 6.146 5.370 1.00 1.02 H new ATOM 0 HA SER B 36 -23.721 8.223 4.124 1.00 1.10 H new ATOM 0 HB2 SER B 36 -22.494 5.644 3.378 1.00 1.18 H new ATOM 0 HB3 SER B 36 -23.776 6.105 2.275 1.00 1.18 H new ATOM 0 HG SER B 36 -21.726 7.037 1.678 1.00 1.87 H new ATOM 2006 N VAL B 37 -25.716 5.694 4.683 1.00 1.05 N ATOM 2007 CA VAL B 37 -27.109 5.266 4.647 1.00 1.17 C ATOM 2008 C VAL B 37 -27.495 4.582 5.954 1.00 1.04 C ATOM 2009 O VAL B 37 -27.273 3.384 6.127 1.00 1.50 O ATOM 2010 CB VAL B 37 -27.328 4.301 3.480 1.00 1.71 C ATOM 2011 CG1 VAL B 37 -26.920 2.889 3.904 1.00 2.06 C ATOM 2012 CG2 VAL B 37 -28.806 4.308 3.084 1.00 2.25 C ATOM 0 H VAL B 37 -25.097 5.083 5.215 1.00 1.05 H new ATOM 0 HA VAL B 37 -27.736 6.147 4.513 1.00 1.17 H new ATOM 0 HB VAL B 37 -26.723 4.614 2.630 1.00 1.71 H new ATOM 0 HG11 VAL B 37 -27.076 2.200 3.073 1.00 2.06 H new ATOM 0 HG12 VAL B 37 -25.867 2.884 4.187 1.00 2.06 H new ATOM 0 HG13 VAL B 37 -27.526 2.575 4.754 1.00 2.06 H new ATOM 0 HG21 VAL B 37 -28.963 3.621 2.253 1.00 2.25 H new ATOM 0 HG22 VAL B 37 -29.412 3.994 3.934 1.00 2.25 H new ATOM 0 HG23 VAL B 37 -29.097 5.314 2.783 1.00 2.25 H new ATOM 2022 N SER B 38 -28.074 5.351 6.871 1.00 0.99 N ATOM 2023 CA SER B 38 -28.486 4.807 8.159 1.00 1.29 C ATOM 2024 C SER B 38 -28.294 5.841 9.264 1.00 1.06 C ATOM 2025 O SER B 38 -27.819 6.949 9.015 1.00 1.37 O ATOM 2026 CB SER B 38 -27.669 3.555 8.483 1.00 1.96 C ATOM 2027 OG SER B 38 -27.751 3.283 9.874 1.00 2.63 O ATOM 0 H SER B 38 -28.267 6.345 6.747 1.00 0.99 H new ATOM 0 HA SER B 38 -29.543 4.546 8.100 1.00 1.29 H new ATOM 0 HB2 SER B 38 -28.044 2.705 7.913 1.00 1.96 H new ATOM 0 HB3 SER B 38 -26.629 3.701 8.191 1.00 1.96 H new ATOM 0 HG SER B 38 -28.577 2.791 10.063 1.00 2.63 H new ATOM 2033 N GLU B 39 -28.665 5.470 10.485 1.00 1.01 N ATOM 2034 CA GLU B 39 -28.528 6.374 11.621 1.00 1.02 C ATOM 2035 C GLU B 39 -28.803 5.638 12.929 1.00 0.94 C ATOM 2036 O GLU B 39 -29.894 5.108 13.137 1.00 1.02 O ATOM 2037 CB GLU B 39 -29.505 7.543 11.478 1.00 1.36 C ATOM 2038 CG GLU B 39 -30.884 7.010 11.084 1.00 1.71 C ATOM 2039 CD GLU B 39 -31.898 8.149 11.070 1.00 1.94 C ATOM 2040 OE1 GLU B 39 -31.604 9.184 11.645 1.00 2.22 O ATOM 2041 OE2 GLU B 39 -32.953 7.969 10.485 1.00 2.51 O ATOM 0 H GLU B 39 -29.060 4.557 10.712 1.00 1.01 H new ATOM 0 HA GLU B 39 -27.506 6.753 11.638 1.00 1.02 H new ATOM 0 HB2 GLU B 39 -29.571 8.093 12.417 1.00 1.36 H new ATOM 0 HB3 GLU B 39 -29.144 8.242 10.723 1.00 1.36 H new ATOM 0 HG2 GLU B 39 -30.835 6.543 10.100 1.00 1.71 H new ATOM 0 HG3 GLU B 39 -31.200 6.239 11.787 1.00 1.71 H new ATOM 2048 N ALA B 40 -27.805 5.609 13.806 1.00 0.83 N ATOM 2049 CA ALA B 40 -27.951 4.934 15.091 1.00 0.80 C ATOM 2050 C ALA B 40 -27.285 5.743 16.200 1.00 0.74 C ATOM 2051 O ALA B 40 -26.848 6.872 15.981 1.00 0.71 O ATOM 2052 CB ALA B 40 -27.319 3.543 15.023 1.00 0.82 C ATOM 0 H ALA B 40 -26.894 6.041 13.653 1.00 0.83 H new ATOM 0 HA ALA B 40 -29.014 4.841 15.313 1.00 0.80 H new ATOM 0 HB1 ALA B 40 -27.432 3.045 15.986 1.00 0.82 H new ATOM 0 HB2 ALA B 40 -27.815 2.956 14.250 1.00 0.82 H new ATOM 0 HB3 ALA B 40 -26.260 3.636 14.784 1.00 0.82 H new ATOM 2058 N SER B 41 -27.212 5.157 17.390 1.00 0.75 N ATOM 2059 CA SER B 41 -26.598 5.832 18.527 1.00 0.75 C ATOM 2060 C SER B 41 -25.080 5.858 18.379 1.00 0.75 C ATOM 2061 O SER B 41 -24.535 5.378 17.386 1.00 0.76 O ATOM 2062 CB SER B 41 -26.973 5.115 19.825 1.00 0.80 C ATOM 2063 OG SER B 41 -26.059 5.480 20.848 1.00 1.46 O ATOM 0 H SER B 41 -27.568 4.223 17.592 1.00 0.75 H new ATOM 0 HA SER B 41 -26.967 6.857 18.559 1.00 0.75 H new ATOM 0 HB2 SER B 41 -27.989 5.379 20.119 1.00 0.80 H new ATOM 0 HB3 SER B 41 -26.955 4.036 19.675 1.00 0.80 H new ATOM 0 HG SER B 41 -26.300 5.022 21.680 1.00 1.46 H new ATOM 2069 N VAL B 42 -24.404 6.423 19.374 1.00 0.79 N ATOM 2070 CA VAL B 42 -22.948 6.506 19.344 1.00 0.85 C ATOM 2071 C VAL B 42 -22.326 5.150 19.662 1.00 0.84 C ATOM 2072 O VAL B 42 -21.428 4.689 18.958 1.00 0.86 O ATOM 2073 CB VAL B 42 -22.464 7.541 20.361 1.00 0.96 C ATOM 2074 CG1 VAL B 42 -21.015 7.923 20.051 1.00 1.75 C ATOM 2075 CG2 VAL B 42 -23.348 8.788 20.280 1.00 1.61 C ATOM 0 H VAL B 42 -24.836 6.827 20.205 1.00 0.79 H new ATOM 0 HA VAL B 42 -22.641 6.808 18.343 1.00 0.85 H new ATOM 0 HB VAL B 42 -22.522 7.118 21.364 1.00 0.96 H new ATOM 0 HG11 VAL B 42 -20.670 8.661 20.776 1.00 1.75 H new ATOM 0 HG12 VAL B 42 -20.385 7.036 20.108 1.00 1.75 H new ATOM 0 HG13 VAL B 42 -20.957 8.345 19.048 1.00 1.75 H new ATOM 0 HG21 VAL B 42 -23.004 9.526 21.005 1.00 1.61 H new ATOM 0 HG22 VAL B 42 -23.290 9.210 19.277 1.00 1.61 H new ATOM 0 HG23 VAL B 42 -24.380 8.517 20.501 1.00 1.61 H new ATOM 2085 N GLY B 43 -22.811 4.517 20.725 1.00 0.85 N ATOM 2086 CA GLY B 43 -22.295 3.214 21.127 1.00 0.86 C ATOM 2087 C GLY B 43 -22.819 2.115 20.208 1.00 0.80 C ATOM 2088 O GLY B 43 -22.043 1.403 19.571 1.00 0.86 O ATOM 0 H GLY B 43 -23.555 4.882 21.320 1.00 0.85 H new ATOM 0 HA2 GLY B 43 -21.205 3.226 21.102 1.00 0.86 H new ATOM 0 HA3 GLY B 43 -22.588 3.004 22.156 1.00 0.86 H new ATOM 2092 N HIS B 44 -24.140 1.983 20.146 1.00 0.80 N ATOM 2093 CA HIS B 44 -24.757 0.967 19.302 1.00 0.81 C ATOM 2094 C HIS B 44 -23.907 0.712 18.061 1.00 0.77 C ATOM 2095 O HIS B 44 -23.420 -0.398 17.848 1.00 0.82 O ATOM 2096 CB HIS B 44 -26.156 1.419 18.879 1.00 0.87 C ATOM 2097 CG HIS B 44 -27.154 1.002 19.924 1.00 1.35 C ATOM 2098 ND1 HIS B 44 -26.770 0.576 21.186 1.00 2.24 N ATOM 2099 CD2 HIS B 44 -28.526 0.940 19.909 1.00 1.99 C ATOM 2100 CE1 HIS B 44 -27.888 0.279 21.872 1.00 2.82 C ATOM 2101 NE2 HIS B 44 -28.987 0.483 21.140 1.00 2.68 N ATOM 0 H HIS B 44 -24.799 2.562 20.666 1.00 0.80 H new ATOM 0 HA HIS B 44 -24.831 0.042 19.875 1.00 0.81 H new ATOM 0 HB2 HIS B 44 -26.177 2.501 18.752 1.00 0.87 H new ATOM 0 HB3 HIS B 44 -26.416 0.980 17.916 1.00 0.87 H new ATOM 0 HD2 HIS B 44 -29.152 1.205 19.070 1.00 1.99 H new ATOM 0 HE1 HIS B 44 -27.896 -0.081 22.890 1.00 2.82 H new ATOM 0 HE2 HIS B 44 -29.956 0.335 21.423 1.00 2.68 H new ATOM 2110 N ILE B 45 -23.735 1.747 17.245 1.00 0.78 N ATOM 2111 CA ILE B 45 -22.942 1.624 16.028 1.00 0.82 C ATOM 2112 C ILE B 45 -21.621 0.918 16.317 1.00 0.82 C ATOM 2113 O ILE B 45 -21.168 0.084 15.533 1.00 0.88 O ATOM 2114 CB ILE B 45 -22.664 3.010 15.444 1.00 0.86 C ATOM 2115 CG1 ILE B 45 -22.175 2.867 14.001 1.00 1.22 C ATOM 2116 CG2 ILE B 45 -21.590 3.709 16.279 1.00 1.71 C ATOM 2117 CD1 ILE B 45 -22.123 4.246 13.341 1.00 1.20 C ATOM 0 H ILE B 45 -24.131 2.674 17.403 1.00 0.78 H new ATOM 0 HA ILE B 45 -23.507 1.032 15.308 1.00 0.82 H new ATOM 0 HB ILE B 45 -23.579 3.601 15.461 1.00 0.86 H new ATOM 0 HG12 ILE B 45 -21.187 2.407 13.984 1.00 1.22 H new ATOM 0 HG13 ILE B 45 -22.842 2.210 13.443 1.00 1.22 H new ATOM 0 HG21 ILE B 45 -21.391 4.697 15.863 1.00 1.71 H new ATOM 0 HG22 ILE B 45 -21.938 3.811 17.307 1.00 1.71 H new ATOM 0 HG23 ILE B 45 -20.674 3.118 16.263 1.00 1.71 H new ATOM 0 HD11 ILE B 45 -21.775 4.145 12.313 1.00 1.20 H new ATOM 0 HD12 ILE B 45 -23.119 4.689 13.345 1.00 1.20 H new ATOM 0 HD13 ILE B 45 -21.438 4.889 13.894 1.00 1.20 H new ATOM 2129 N SER B 46 -21.009 1.258 17.446 1.00 0.80 N ATOM 2130 CA SER B 46 -19.740 0.651 17.828 1.00 0.85 C ATOM 2131 C SER B 46 -19.935 -0.819 18.186 1.00 0.86 C ATOM 2132 O SER B 46 -19.495 -1.709 17.458 1.00 0.96 O ATOM 2133 CB SER B 46 -19.146 1.394 19.026 1.00 0.90 C ATOM 2134 OG SER B 46 -20.078 2.357 19.495 1.00 1.44 O ATOM 0 H SER B 46 -21.368 1.946 18.108 1.00 0.80 H new ATOM 0 HA SER B 46 -19.057 0.720 16.982 1.00 0.85 H new ATOM 0 HB2 SER B 46 -18.904 0.689 19.821 1.00 0.90 H new ATOM 0 HB3 SER B 46 -18.215 1.883 18.739 1.00 0.90 H new ATOM 0 HG SER B 46 -20.911 1.909 19.750 1.00 1.44 H new ATOM 2140 N HIS B 47 -20.597 -1.066 19.312 1.00 0.84 N ATOM 2141 CA HIS B 47 -20.844 -2.432 19.757 1.00 0.88 C ATOM 2142 C HIS B 47 -21.097 -3.347 18.564 1.00 0.85 C ATOM 2143 O HIS B 47 -20.303 -4.243 18.276 1.00 0.87 O ATOM 2144 CB HIS B 47 -22.055 -2.465 20.692 1.00 0.93 C ATOM 2145 CG HIS B 47 -21.697 -3.209 21.949 1.00 1.44 C ATOM 2146 ND1 HIS B 47 -22.592 -4.052 22.589 1.00 2.34 N ATOM 2147 CD2 HIS B 47 -20.546 -3.247 22.697 1.00 2.18 C ATOM 2148 CE1 HIS B 47 -21.971 -4.557 23.671 1.00 3.08 C ATOM 2149 NE2 HIS B 47 -20.721 -4.099 23.783 1.00 2.96 N ATOM 0 H HIS B 47 -20.969 -0.344 19.929 1.00 0.84 H new ATOM 0 HA HIS B 47 -19.962 -2.785 20.291 1.00 0.88 H new ATOM 0 HB2 HIS B 47 -22.369 -1.450 20.934 1.00 0.93 H new ATOM 0 HB3 HIS B 47 -22.897 -2.949 20.197 1.00 0.93 H new ATOM 0 HD2 HIS B 47 -19.642 -2.699 22.476 1.00 2.18 H new ATOM 0 HE1 HIS B 47 -22.427 -5.248 24.364 1.00 3.08 H new ATOM 0 HE2 HIS B 47 -20.041 -4.325 24.509 1.00 2.96 H new ATOM 2158 N GLN B 48 -22.208 -3.116 17.872 1.00 0.83 N ATOM 2159 CA GLN B 48 -22.556 -3.927 16.711 1.00 0.84 C ATOM 2160 C GLN B 48 -21.341 -4.124 15.811 1.00 0.85 C ATOM 2161 O GLN B 48 -20.813 -5.230 15.698 1.00 0.96 O ATOM 2162 CB GLN B 48 -23.675 -3.248 15.918 1.00 0.86 C ATOM 2163 CG GLN B 48 -24.989 -3.999 16.145 1.00 1.33 C ATOM 2164 CD GLN B 48 -26.107 -3.348 15.338 1.00 1.85 C ATOM 2165 OE1 GLN B 48 -26.265 -2.128 15.367 1.00 2.38 O ATOM 2166 NE2 GLN B 48 -26.896 -4.094 14.615 1.00 2.60 N ATOM 0 H GLN B 48 -22.878 -2.380 18.093 1.00 0.83 H new ATOM 0 HA GLN B 48 -22.897 -4.902 17.061 1.00 0.84 H new ATOM 0 HB2 GLN B 48 -23.779 -2.209 16.231 1.00 0.86 H new ATOM 0 HB3 GLN B 48 -23.428 -3.238 14.856 1.00 0.86 H new ATOM 0 HG2 GLN B 48 -24.877 -5.042 15.851 1.00 1.33 H new ATOM 0 HG3 GLN B 48 -25.243 -3.992 17.205 1.00 1.33 H new ATOM 0 HE21 GLN B 48 -26.763 -5.105 14.593 1.00 2.60 H new ATOM 0 HE22 GLN B 48 -27.646 -3.666 14.072 1.00 2.60 H new ATOM 2175 N LEU B 49 -20.903 -3.044 15.172 1.00 0.86 N ATOM 2176 CA LEU B 49 -19.748 -3.111 14.283 1.00 0.92 C ATOM 2177 C LEU B 49 -18.530 -3.648 15.027 1.00 0.89 C ATOM 2178 O LEU B 49 -17.394 -3.470 14.586 1.00 0.89 O ATOM 2179 CB LEU B 49 -19.437 -1.720 13.728 1.00 1.02 C ATOM 2180 CG LEU B 49 -20.513 -1.321 12.716 1.00 1.26 C ATOM 2181 CD1 LEU B 49 -20.264 0.112 12.244 1.00 1.40 C ATOM 2182 CD2 LEU B 49 -20.461 -2.270 11.517 1.00 2.02 C ATOM 0 H LEU B 49 -21.326 -2.119 15.252 1.00 0.86 H new ATOM 0 HA LEU B 49 -19.984 -3.786 13.461 1.00 0.92 H new ATOM 0 HB2 LEU B 49 -19.399 -0.993 14.540 1.00 1.02 H new ATOM 0 HB3 LEU B 49 -18.456 -1.718 13.252 1.00 1.02 H new ATOM 0 HG LEU B 49 -21.495 -1.382 13.186 1.00 1.26 H new ATOM 0 HD11 LEU B 49 -21.031 0.396 11.523 1.00 1.40 H new ATOM 0 HD12 LEU B 49 -20.301 0.788 13.098 1.00 1.40 H new ATOM 0 HD13 LEU B 49 -19.283 0.175 11.774 1.00 1.40 H new ATOM 0 HD21 LEU B 49 -21.227 -1.987 10.795 1.00 2.02 H new ATOM 0 HD22 LEU B 49 -19.479 -2.209 11.047 1.00 2.02 H new ATOM 0 HD23 LEU B 49 -20.639 -3.291 11.853 1.00 2.02 H new ATOM 2194 N ASN B 50 -18.773 -4.305 16.156 1.00 0.87 N ATOM 2195 CA ASN B 50 -17.687 -4.863 16.952 1.00 0.86 C ATOM 2196 C ASN B 50 -16.529 -3.875 17.049 1.00 0.86 C ATOM 2197 O ASN B 50 -15.422 -4.156 16.591 1.00 0.94 O ATOM 2198 CB ASN B 50 -17.196 -6.167 16.322 1.00 0.88 C ATOM 2199 CG ASN B 50 -18.120 -7.316 16.711 1.00 1.54 C ATOM 2200 OD1 ASN B 50 -18.455 -7.473 17.886 1.00 2.33 O ATOM 2201 ND2 ASN B 50 -18.556 -8.132 15.791 1.00 2.11 N ATOM 0 H ASN B 50 -19.705 -4.463 16.538 1.00 0.87 H new ATOM 0 HA ASN B 50 -18.063 -5.062 17.955 1.00 0.86 H new ATOM 0 HB2 ASN B 50 -17.164 -6.067 15.237 1.00 0.88 H new ATOM 0 HB3 ASN B 50 -16.179 -6.380 16.652 1.00 0.88 H new ATOM 0 HD21 ASN B 50 -19.176 -8.902 16.044 1.00 2.11 H new ATOM 0 HD22 ASN B 50 -18.277 -8.000 14.819 1.00 2.11 H new ATOM 2208 N LEU B 51 -16.793 -2.718 17.647 1.00 0.89 N ATOM 2209 CA LEU B 51 -15.765 -1.696 17.798 1.00 0.90 C ATOM 2210 C LEU B 51 -15.673 -1.237 19.249 1.00 0.89 C ATOM 2211 O LEU B 51 -16.675 -1.201 19.963 1.00 0.88 O ATOM 2212 CB LEU B 51 -16.086 -0.498 16.902 1.00 0.90 C ATOM 2213 CG LEU B 51 -15.844 -0.875 15.439 1.00 1.12 C ATOM 2214 CD1 LEU B 51 -16.257 0.290 14.537 1.00 1.40 C ATOM 2215 CD2 LEU B 51 -14.359 -1.180 15.230 1.00 1.45 C ATOM 0 H LEU B 51 -17.703 -2.466 18.032 1.00 0.89 H new ATOM 0 HA LEU B 51 -14.807 -2.125 17.504 1.00 0.90 H new ATOM 0 HB2 LEU B 51 -17.123 -0.192 17.043 1.00 0.90 H new ATOM 0 HB3 LEU B 51 -15.463 0.353 17.177 1.00 0.90 H new ATOM 0 HG LEU B 51 -16.435 -1.756 15.188 1.00 1.12 H new ATOM 0 HD11 LEU B 51 -16.085 0.022 13.495 1.00 1.40 H new ATOM 0 HD12 LEU B 51 -17.315 0.508 14.686 1.00 1.40 H new ATOM 0 HD13 LEU B 51 -15.666 1.171 14.787 1.00 1.40 H new ATOM 0 HD21 LEU B 51 -14.186 -1.449 14.188 1.00 1.45 H new ATOM 0 HD22 LEU B 51 -13.768 -0.299 15.481 1.00 1.45 H new ATOM 0 HD23 LEU B 51 -14.064 -2.010 15.872 1.00 1.45 H new ATOM 2227 N SER B 52 -14.465 -0.887 19.679 1.00 0.91 N ATOM 2228 CA SER B 52 -14.254 -0.432 21.048 1.00 0.93 C ATOM 2229 C SER B 52 -14.624 1.041 21.186 1.00 0.91 C ATOM 2230 O SER B 52 -13.927 1.917 20.675 1.00 0.91 O ATOM 2231 CB SER B 52 -12.789 -0.630 21.443 1.00 0.98 C ATOM 2232 OG SER B 52 -12.472 0.230 22.528 1.00 1.57 O ATOM 0 H SER B 52 -13.623 -0.909 19.104 1.00 0.91 H new ATOM 0 HA SER B 52 -14.892 -1.019 21.709 1.00 0.93 H new ATOM 0 HB2 SER B 52 -12.614 -1.668 21.725 1.00 0.98 H new ATOM 0 HB3 SER B 52 -12.140 -0.416 20.594 1.00 0.98 H new ATOM 0 HG SER B 52 -11.743 -0.161 23.053 1.00 1.57 H new ATOM 2238 N GLN B 53 -15.726 1.306 21.881 1.00 0.92 N ATOM 2239 CA GLN B 53 -16.180 2.677 22.080 1.00 0.93 C ATOM 2240 C GLN B 53 -15.017 3.573 22.492 1.00 1.01 C ATOM 2241 O GLN B 53 -15.083 4.794 22.356 1.00 1.12 O ATOM 2242 CB GLN B 53 -17.263 2.715 23.161 1.00 1.00 C ATOM 2243 CG GLN B 53 -18.030 1.392 23.161 1.00 1.49 C ATOM 2244 CD GLN B 53 -19.105 1.413 24.243 1.00 1.95 C ATOM 2245 OE1 GLN B 53 -20.227 1.854 23.996 1.00 2.64 O ATOM 2246 NE2 GLN B 53 -18.827 0.961 25.435 1.00 2.34 N ATOM 0 H GLN B 53 -16.317 0.595 22.313 1.00 0.92 H new ATOM 0 HA GLN B 53 -16.591 3.044 21.139 1.00 0.93 H new ATOM 0 HB2 GLN B 53 -16.811 2.885 24.138 1.00 1.00 H new ATOM 0 HB3 GLN B 53 -17.947 3.544 22.977 1.00 1.00 H new ATOM 0 HG2 GLN B 53 -18.487 1.227 22.185 1.00 1.49 H new ATOM 0 HG3 GLN B 53 -17.343 0.564 23.335 1.00 1.49 H new ATOM 0 HE21 GLN B 53 -17.896 0.596 25.638 1.00 2.34 H new ATOM 0 HE22 GLN B 53 -19.540 0.973 26.164 1.00 2.34 H new ATOM 2255 N SER B 54 -13.952 2.957 22.997 1.00 1.09 N ATOM 2256 CA SER B 54 -12.779 3.709 23.425 1.00 1.19 C ATOM 2257 C SER B 54 -12.233 4.552 22.277 1.00 1.07 C ATOM 2258 O SER B 54 -11.813 5.692 22.476 1.00 1.15 O ATOM 2259 CB SER B 54 -11.695 2.749 23.916 1.00 1.38 C ATOM 2260 OG SER B 54 -11.354 3.066 25.258 1.00 1.92 O ATOM 0 H SER B 54 -13.878 1.947 23.119 1.00 1.09 H new ATOM 0 HA SER B 54 -13.073 4.372 24.238 1.00 1.19 H new ATOM 0 HB2 SER B 54 -12.050 1.720 23.853 1.00 1.38 H new ATOM 0 HB3 SER B 54 -10.814 2.822 23.279 1.00 1.38 H new ATOM 0 HG SER B 54 -10.660 2.450 25.574 1.00 1.92 H new ATOM 2266 N ASN B 55 -12.241 3.982 21.077 1.00 1.00 N ATOM 2267 CA ASN B 55 -11.743 4.691 19.903 1.00 0.97 C ATOM 2268 C ASN B 55 -12.846 5.542 19.282 1.00 0.84 C ATOM 2269 O ASN B 55 -12.692 6.753 19.122 1.00 0.82 O ATOM 2270 CB ASN B 55 -11.228 3.688 18.869 1.00 1.10 C ATOM 2271 CG ASN B 55 -9.783 3.313 19.182 1.00 1.55 C ATOM 2272 OD1 ASN B 55 -9.164 3.907 20.065 1.00 2.38 O ATOM 2273 ND2 ASN B 55 -9.206 2.356 18.508 1.00 2.02 N ATOM 0 H ASN B 55 -12.584 3.039 20.892 1.00 1.00 H new ATOM 0 HA ASN B 55 -10.928 5.344 20.215 1.00 0.97 H new ATOM 0 HB2 ASN B 55 -11.853 2.795 18.873 1.00 1.10 H new ATOM 0 HB3 ASN B 55 -11.293 4.118 17.869 1.00 1.10 H new ATOM 0 HD21 ASN B 55 -8.240 2.099 18.712 1.00 2.02 H new ATOM 0 HD22 ASN B 55 -9.721 1.865 17.777 1.00 2.02 H new ATOM 2280 N VAL B 56 -13.957 4.901 18.936 1.00 0.82 N ATOM 2281 CA VAL B 56 -15.079 5.610 18.333 1.00 0.79 C ATOM 2282 C VAL B 56 -15.109 7.062 18.798 1.00 0.77 C ATOM 2283 O VAL B 56 -14.691 7.965 18.074 1.00 0.86 O ATOM 2284 CB VAL B 56 -16.393 4.924 18.713 1.00 0.89 C ATOM 2285 CG1 VAL B 56 -17.460 5.985 18.991 1.00 1.34 C ATOM 2286 CG2 VAL B 56 -16.853 4.029 17.560 1.00 1.70 C ATOM 0 H VAL B 56 -14.104 3.900 19.061 1.00 0.82 H new ATOM 0 HA VAL B 56 -14.957 5.590 17.250 1.00 0.79 H new ATOM 0 HB VAL B 56 -16.241 4.318 19.606 1.00 0.89 H new ATOM 0 HG11 VAL B 56 -18.396 5.497 19.262 1.00 1.34 H new ATOM 0 HG12 VAL B 56 -17.133 6.624 19.812 1.00 1.34 H new ATOM 0 HG13 VAL B 56 -17.612 6.591 18.098 1.00 1.34 H new ATOM 0 HG21 VAL B 56 -17.789 3.540 17.830 1.00 1.70 H new ATOM 0 HG22 VAL B 56 -17.005 4.635 16.667 1.00 1.70 H new ATOM 0 HG23 VAL B 56 -16.093 3.273 17.361 1.00 1.70 H new ATOM 2296 N SER B 57 -15.607 7.279 20.011 1.00 0.93 N ATOM 2297 CA SER B 57 -15.686 8.626 20.563 1.00 1.02 C ATOM 2298 C SER B 57 -14.514 9.474 20.080 1.00 0.92 C ATOM 2299 O SER B 57 -14.697 10.610 19.642 1.00 0.92 O ATOM 2300 CB SER B 57 -15.676 8.565 22.092 1.00 1.29 C ATOM 2301 OG SER B 57 -16.673 9.435 22.606 1.00 1.92 O ATOM 0 H SER B 57 -15.959 6.546 20.626 1.00 0.93 H new ATOM 0 HA SER B 57 -16.615 9.083 20.223 1.00 1.02 H new ATOM 0 HB2 SER B 57 -15.861 7.544 22.427 1.00 1.29 H new ATOM 0 HB3 SER B 57 -14.696 8.853 22.472 1.00 1.29 H new ATOM 0 HG SER B 57 -16.669 9.395 23.585 1.00 1.92 H new ATOM 2307 N HIS B 58 -13.312 8.915 20.163 1.00 0.94 N ATOM 2308 CA HIS B 58 -12.116 9.630 19.731 1.00 0.98 C ATOM 2309 C HIS B 58 -12.195 9.956 18.244 1.00 0.88 C ATOM 2310 O HIS B 58 -11.984 11.099 17.837 1.00 0.97 O ATOM 2311 CB HIS B 58 -10.874 8.779 20.003 1.00 1.13 C ATOM 2312 CG HIS B 58 -9.967 9.507 20.958 1.00 1.63 C ATOM 2313 ND1 HIS B 58 -10.390 10.610 21.683 1.00 2.35 N ATOM 2314 CD2 HIS B 58 -8.658 9.302 21.317 1.00 2.37 C ATOM 2315 CE1 HIS B 58 -9.353 11.023 22.435 1.00 3.13 C ATOM 2316 NE2 HIS B 58 -8.273 10.260 22.249 1.00 3.17 N ATOM 0 H HIS B 58 -13.140 7.976 20.523 1.00 0.94 H new ATOM 0 HA HIS B 58 -12.049 10.562 20.292 1.00 0.98 H new ATOM 0 HB2 HIS B 58 -11.165 7.816 20.423 1.00 1.13 H new ATOM 0 HB3 HIS B 58 -10.349 8.574 19.070 1.00 1.13 H new ATOM 0 HD2 HIS B 58 -8.024 8.516 20.934 1.00 2.37 H new ATOM 0 HE1 HIS B 58 -9.390 11.868 23.107 1.00 3.13 H new ATOM 0 HE2 HIS B 58 -7.361 10.359 22.695 1.00 3.17 H new ATOM 2325 N GLN B 59 -12.499 8.945 17.436 1.00 0.75 N ATOM 2326 CA GLN B 59 -12.602 9.137 15.995 1.00 0.75 C ATOM 2327 C GLN B 59 -13.458 10.358 15.675 1.00 0.73 C ATOM 2328 O GLN B 59 -12.939 11.455 15.469 1.00 0.76 O ATOM 2329 CB GLN B 59 -13.220 7.896 15.347 1.00 0.76 C ATOM 2330 CG GLN B 59 -12.523 7.615 14.014 1.00 1.26 C ATOM 2331 CD GLN B 59 -12.399 6.111 13.798 1.00 1.59 C ATOM 2332 OE1 GLN B 59 -13.179 5.519 12.935 1.00 2.29 O flip ATOM 2333 NE2 GLN B 59 -11.570 5.458 14.432 1.00 2.18 N flip ATOM 0 H GLN B 59 -12.677 7.992 17.752 1.00 0.75 H new ATOM 0 HA GLN B 59 -11.600 9.296 15.597 1.00 0.75 H new ATOM 0 HB2 GLN B 59 -13.118 7.037 16.011 1.00 0.76 H new ATOM 0 HB3 GLN B 59 -14.287 8.050 15.186 1.00 0.76 H new ATOM 0 HG2 GLN B 59 -13.089 8.063 13.197 1.00 1.26 H new ATOM 0 HG3 GLN B 59 -11.535 8.075 14.007 1.00 1.26 H new ATOM 0 HE21 GLN B 59 -10.962 5.923 15.106 1.00 2.18 H new ATOM 0 HE22 GLN B 59 -11.491 4.452 14.283 1.00 2.18 H new ATOM 2342 N LEU B 60 -14.772 10.161 15.637 1.00 0.73 N ATOM 2343 CA LEU B 60 -15.690 11.254 15.342 1.00 0.75 C ATOM 2344 C LEU B 60 -15.023 12.600 15.601 1.00 0.78 C ATOM 2345 O LEU B 60 -14.955 13.451 14.714 1.00 0.80 O ATOM 2346 CB LEU B 60 -16.944 11.130 16.210 1.00 0.80 C ATOM 2347 CG LEU B 60 -17.439 9.682 16.187 1.00 0.80 C ATOM 2348 CD1 LEU B 60 -18.862 9.621 16.746 1.00 0.89 C ATOM 2349 CD2 LEU B 60 -17.433 9.164 14.748 1.00 0.84 C ATOM 0 H LEU B 60 -15.222 9.261 15.806 1.00 0.73 H new ATOM 0 HA LEU B 60 -15.968 11.196 14.290 1.00 0.75 H new ATOM 0 HB2 LEU B 60 -16.723 11.434 17.233 1.00 0.80 H new ATOM 0 HB3 LEU B 60 -17.722 11.798 15.841 1.00 0.80 H new ATOM 0 HG LEU B 60 -16.782 9.063 16.798 1.00 0.80 H new ATOM 0 HD11 LEU B 60 -19.215 8.590 16.730 1.00 0.89 H new ATOM 0 HD12 LEU B 60 -18.866 9.990 17.772 1.00 0.89 H new ATOM 0 HD13 LEU B 60 -19.520 10.239 16.135 1.00 0.89 H new ATOM 0 HD21 LEU B 60 -17.785 8.133 14.731 1.00 0.84 H new ATOM 0 HD22 LEU B 60 -18.090 9.782 14.136 1.00 0.84 H new ATOM 0 HD23 LEU B 60 -16.419 9.208 14.350 1.00 0.84 H new ATOM 2361 N LYS B 61 -14.531 12.786 16.821 1.00 0.82 N ATOM 2362 CA LYS B 61 -13.870 14.034 17.186 1.00 0.89 C ATOM 2363 C LYS B 61 -13.087 14.592 16.002 1.00 0.89 C ATOM 2364 O LYS B 61 -13.538 15.519 15.329 1.00 0.92 O ATOM 2365 CB LYS B 61 -12.920 13.797 18.361 1.00 0.96 C ATOM 2366 CG LYS B 61 -13.462 14.503 19.606 1.00 1.54 C ATOM 2367 CD LYS B 61 -12.678 14.042 20.836 1.00 1.68 C ATOM 2368 CE LYS B 61 -13.097 14.874 22.049 1.00 2.30 C ATOM 2369 NZ LYS B 61 -13.237 16.302 21.648 1.00 2.94 N ATOM 0 H LYS B 61 -14.577 12.094 17.569 1.00 0.82 H new ATOM 0 HA LYS B 61 -14.633 14.756 17.475 1.00 0.89 H new ATOM 0 HB2 LYS B 61 -12.819 12.728 18.551 1.00 0.96 H new ATOM 0 HB3 LYS B 61 -11.926 14.173 18.120 1.00 0.96 H new ATOM 0 HG2 LYS B 61 -13.376 15.583 19.491 1.00 1.54 H new ATOM 0 HG3 LYS B 61 -14.521 14.279 19.732 1.00 1.54 H new ATOM 0 HD2 LYS B 61 -12.865 12.985 21.025 1.00 1.68 H new ATOM 0 HD3 LYS B 61 -11.608 14.150 20.660 1.00 1.68 H new ATOM 0 HE2 LYS B 61 -14.041 14.503 22.449 1.00 2.30 H new ATOM 0 HE3 LYS B 61 -12.355 14.779 22.842 1.00 2.30 H new ATOM 0 HZ1 LYS B 61 -13.150 16.909 22.488 1.00 2.94 H new ATOM 0 HZ2 LYS B 61 -12.490 16.546 20.966 1.00 2.94 H new ATOM 0 HZ3 LYS B 61 -14.168 16.450 21.209 1.00 2.94 H new ATOM 2383 N LEU B 62 -11.912 14.023 15.754 1.00 0.87 N ATOM 2384 CA LEU B 62 -11.075 14.472 14.649 1.00 0.89 C ATOM 2385 C LEU B 62 -11.934 14.894 13.462 1.00 0.90 C ATOM 2386 O LEU B 62 -12.243 16.073 13.295 1.00 1.08 O ATOM 2387 CB LEU B 62 -10.129 13.348 14.222 1.00 0.90 C ATOM 2388 CG LEU B 62 -9.115 13.890 13.213 1.00 1.01 C ATOM 2389 CD1 LEU B 62 -7.756 14.058 13.895 1.00 1.49 C ATOM 2390 CD2 LEU B 62 -8.982 12.910 12.046 1.00 1.50 C ATOM 0 H LEU B 62 -11.520 13.255 16.299 1.00 0.87 H new ATOM 0 HA LEU B 62 -10.493 15.330 14.984 1.00 0.89 H new ATOM 0 HB2 LEU B 62 -9.612 12.944 15.092 1.00 0.90 H new ATOM 0 HB3 LEU B 62 -10.696 12.529 13.779 1.00 0.90 H new ATOM 0 HG LEU B 62 -9.456 14.856 12.839 1.00 1.01 H new ATOM 0 HD11 LEU B 62 -7.033 14.444 13.176 1.00 1.49 H new ATOM 0 HD12 LEU B 62 -7.850 14.757 14.726 1.00 1.49 H new ATOM 0 HD13 LEU B 62 -7.415 13.093 14.269 1.00 1.49 H new ATOM 0 HD21 LEU B 62 -8.259 13.296 11.327 1.00 1.50 H new ATOM 0 HD22 LEU B 62 -8.642 11.944 12.419 1.00 1.50 H new ATOM 0 HD23 LEU B 62 -9.950 12.790 11.559 1.00 1.50 H new ATOM 2402 N LEU B 63 -12.316 13.922 12.639 1.00 0.80 N ATOM 2403 CA LEU B 63 -13.140 14.205 11.470 1.00 0.83 C ATOM 2404 C LEU B 63 -14.001 15.441 11.706 1.00 0.82 C ATOM 2405 O LEU B 63 -13.911 16.422 10.967 1.00 0.91 O ATOM 2406 CB LEU B 63 -14.040 13.006 11.164 1.00 0.84 C ATOM 2407 CG LEU B 63 -13.206 11.889 10.533 1.00 0.94 C ATOM 2408 CD1 LEU B 63 -12.494 11.100 11.634 1.00 1.71 C ATOM 2409 CD2 LEU B 63 -14.122 10.951 9.745 1.00 1.03 C ATOM 0 H LEU B 63 -12.070 12.939 12.759 1.00 0.80 H new ATOM 0 HA LEU B 63 -12.481 14.392 10.622 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -14.512 12.649 12.079 1.00 0.84 H new ATOM 0 HB3 LEU B 63 -14.841 13.303 10.487 1.00 0.84 H new ATOM 0 HG LEU B 63 -12.466 12.324 9.861 1.00 0.94 H new ATOM 0 HD11 LEU B 63 -11.900 10.304 11.185 1.00 1.71 H new ATOM 0 HD12 LEU B 63 -11.841 11.768 12.196 1.00 1.71 H new ATOM 0 HD13 LEU B 63 -13.234 10.665 12.306 1.00 1.71 H new ATOM 0 HD21 LEU B 63 -13.528 10.155 9.295 1.00 1.03 H new ATOM 0 HD22 LEU B 63 -14.862 10.516 10.417 1.00 1.03 H new ATOM 0 HD23 LEU B 63 -14.630 11.512 8.961 1.00 1.03 H new ATOM 2421 N LYS B 64 -14.834 15.387 12.740 1.00 0.77 N ATOM 2422 CA LYS B 64 -15.707 16.509 13.064 1.00 0.80 C ATOM 2423 C LYS B 64 -14.911 17.810 13.118 1.00 0.83 C ATOM 2424 O LYS B 64 -15.377 18.853 12.660 1.00 0.93 O ATOM 2425 CB LYS B 64 -16.386 16.269 14.414 1.00 0.87 C ATOM 2426 CG LYS B 64 -17.377 17.400 14.695 1.00 1.14 C ATOM 2427 CD LYS B 64 -18.035 17.174 16.057 1.00 1.26 C ATOM 2428 CE LYS B 64 -19.144 18.224 16.273 1.00 1.82 C ATOM 2429 NZ LYS B 64 -19.494 18.367 17.697 1.00 2.46 N ATOM 0 H LYS B 64 -14.923 14.585 13.364 1.00 0.77 H new ATOM 0 HA LYS B 64 -16.465 16.592 12.285 1.00 0.80 H new ATOM 0 HB2 LYS B 64 -16.905 15.310 14.407 1.00 0.87 H new ATOM 0 HB3 LYS B 64 -15.638 16.221 15.206 1.00 0.87 H new ATOM 0 HG2 LYS B 64 -16.862 18.361 14.683 1.00 1.14 H new ATOM 0 HG3 LYS B 64 -18.136 17.435 13.914 1.00 1.14 H new ATOM 0 HD2 LYS B 64 -18.456 16.170 16.107 1.00 1.26 H new ATOM 0 HD3 LYS B 64 -17.290 17.248 16.849 1.00 1.26 H new ATOM 0 HE2 LYS B 64 -18.814 19.186 15.882 1.00 1.82 H new ATOM 0 HE3 LYS B 64 -20.031 17.937 15.708 1.00 1.82 H new ATOM 0 HZ1 LYS B 64 -20.243 19.082 17.800 1.00 2.46 H new ATOM 0 HZ2 LYS B 64 -19.833 17.455 18.064 1.00 2.46 H new ATOM 0 HZ3 LYS B 64 -18.654 18.666 18.233 1.00 2.46 H new ATOM 2443 N SER B 65 -13.710 17.739 13.681 1.00 0.86 N ATOM 2444 CA SER B 65 -12.858 18.918 13.790 1.00 0.94 C ATOM 2445 C SER B 65 -12.205 19.234 12.448 1.00 0.93 C ATOM 2446 O SER B 65 -11.556 20.268 12.291 1.00 1.18 O ATOM 2447 CB SER B 65 -11.774 18.682 14.843 1.00 1.01 C ATOM 2448 OG SER B 65 -11.946 17.395 15.419 1.00 1.74 O ATOM 0 H SER B 65 -13.306 16.885 14.066 1.00 0.86 H new ATOM 0 HA SER B 65 -13.477 19.764 14.088 1.00 0.94 H new ATOM 0 HB2 SER B 65 -10.787 18.759 14.388 1.00 1.01 H new ATOM 0 HB3 SER B 65 -11.830 19.449 15.616 1.00 1.01 H new ATOM 0 HG SER B 65 -12.895 17.249 15.616 1.00 1.74 H new ATOM 2454 N VAL B 66 -12.382 18.337 11.484 1.00 0.84 N ATOM 2455 CA VAL B 66 -11.806 18.531 10.159 1.00 0.88 C ATOM 2456 C VAL B 66 -12.826 19.159 9.216 1.00 0.91 C ATOM 2457 O VAL B 66 -12.482 19.607 8.122 1.00 0.93 O ATOM 2458 CB VAL B 66 -11.343 17.188 9.590 1.00 0.87 C ATOM 2459 CG1 VAL B 66 -10.366 17.431 8.438 1.00 1.27 C ATOM 2460 CG2 VAL B 66 -10.646 16.382 10.688 1.00 1.00 C ATOM 0 H VAL B 66 -12.916 17.475 11.594 1.00 0.84 H new ATOM 0 HA VAL B 66 -10.952 19.202 10.250 1.00 0.88 H new ATOM 0 HB VAL B 66 -12.206 16.632 9.223 1.00 0.87 H new ATOM 0 HG11 VAL B 66 -10.036 16.474 8.033 1.00 1.27 H new ATOM 0 HG12 VAL B 66 -10.862 18.005 7.655 1.00 1.27 H new ATOM 0 HG13 VAL B 66 -9.503 17.987 8.804 1.00 1.27 H new ATOM 0 HG21 VAL B 66 -10.316 15.425 10.283 1.00 1.00 H new ATOM 0 HG22 VAL B 66 -9.783 16.938 11.055 1.00 1.00 H new ATOM 0 HG23 VAL B 66 -11.342 16.208 11.509 1.00 1.00 H new ATOM 2470 N HIS B 67 -14.083 19.188 9.648 1.00 0.96 N ATOM 2471 CA HIS B 67 -15.146 19.764 8.833 1.00 1.05 C ATOM 2472 C HIS B 67 -15.685 18.733 7.846 1.00 1.04 C ATOM 2473 O HIS B 67 -16.505 19.053 6.985 1.00 1.14 O ATOM 2474 CB HIS B 67 -14.616 20.978 8.066 1.00 1.19 C ATOM 2475 CG HIS B 67 -15.316 22.219 8.547 1.00 1.58 C ATOM 2476 ND1 HIS B 67 -16.261 22.190 9.561 1.00 2.46 N ATOM 2477 CD2 HIS B 67 -15.220 23.534 8.163 1.00 2.32 C ATOM 2478 CE1 HIS B 67 -16.691 23.450 9.751 1.00 3.20 C ATOM 2479 NE2 HIS B 67 -16.089 24.309 8.924 1.00 3.16 N ATOM 0 H HIS B 67 -14.388 18.823 10.550 1.00 0.96 H new ATOM 0 HA HIS B 67 -15.955 20.075 9.493 1.00 1.05 H new ATOM 0 HB2 HIS B 67 -13.540 21.074 8.214 1.00 1.19 H new ATOM 0 HB3 HIS B 67 -14.780 20.846 6.997 1.00 1.19 H new ATOM 0 HD2 HIS B 67 -14.569 23.910 7.388 1.00 2.32 H new ATOM 0 HE1 HIS B 67 -17.433 23.733 10.483 1.00 3.20 H new ATOM 0 HE2 HIS B 67 -16.235 25.317 8.864 1.00 3.16 H new ATOM 2488 N LEU B 68 -15.219 17.496 7.978 1.00 0.95 N ATOM 2489 CA LEU B 68 -15.661 16.426 7.092 1.00 1.00 C ATOM 2490 C LEU B 68 -17.056 15.949 7.481 1.00 1.04 C ATOM 2491 O LEU B 68 -17.964 15.912 6.651 1.00 1.55 O ATOM 2492 CB LEU B 68 -14.682 15.252 7.163 1.00 0.96 C ATOM 2493 CG LEU B 68 -13.360 15.651 6.503 1.00 1.01 C ATOM 2494 CD1 LEU B 68 -12.325 14.546 6.726 1.00 1.10 C ATOM 2495 CD2 LEU B 68 -13.578 15.850 5.002 1.00 1.56 C ATOM 0 H LEU B 68 -14.541 17.211 8.684 1.00 0.95 H new ATOM 0 HA LEU B 68 -15.692 16.814 6.074 1.00 1.00 H new ATOM 0 HB2 LEU B 68 -14.512 14.969 8.202 1.00 0.96 H new ATOM 0 HB3 LEU B 68 -15.104 14.382 6.660 1.00 0.96 H new ATOM 0 HG LEU B 68 -13.000 16.581 6.944 1.00 1.01 H new ATOM 0 HD11 LEU B 68 -11.383 14.829 6.256 1.00 1.10 H new ATOM 0 HD12 LEU B 68 -12.169 14.404 7.795 1.00 1.10 H new ATOM 0 HD13 LEU B 68 -12.685 13.616 6.285 1.00 1.10 H new ATOM 0 HD21 LEU B 68 -12.636 16.134 4.532 1.00 1.56 H new ATOM 0 HD22 LEU B 68 -13.938 14.921 4.560 1.00 1.56 H new ATOM 0 HD23 LEU B 68 -14.315 16.637 4.843 1.00 1.56 H new ATOM 2507 N VAL B 69 -17.220 15.584 8.749 1.00 0.78 N ATOM 2508 CA VAL B 69 -18.509 15.111 9.237 1.00 0.79 C ATOM 2509 C VAL B 69 -19.229 16.214 10.007 1.00 0.81 C ATOM 2510 O VAL B 69 -18.620 17.207 10.403 1.00 0.82 O ATOM 2511 CB VAL B 69 -18.309 13.899 10.149 1.00 0.80 C ATOM 2512 CG1 VAL B 69 -19.226 12.762 9.694 1.00 1.27 C ATOM 2513 CG2 VAL B 69 -16.851 13.440 10.073 1.00 1.47 C ATOM 0 H VAL B 69 -16.481 15.607 9.452 1.00 0.78 H new ATOM 0 HA VAL B 69 -19.118 14.825 8.379 1.00 0.79 H new ATOM 0 HB VAL B 69 -18.551 14.172 11.176 1.00 0.80 H new ATOM 0 HG11 VAL B 69 -19.084 11.898 10.343 1.00 1.27 H new ATOM 0 HG12 VAL B 69 -20.264 13.089 9.747 1.00 1.27 H new ATOM 0 HG13 VAL B 69 -18.984 12.488 8.667 1.00 1.27 H new ATOM 0 HG21 VAL B 69 -16.707 12.576 10.722 1.00 1.47 H new ATOM 0 HG22 VAL B 69 -16.609 13.166 9.046 1.00 1.47 H new ATOM 0 HG23 VAL B 69 -16.197 14.250 10.396 1.00 1.47 H new ATOM 2523 N LYS B 70 -20.529 16.032 10.214 1.00 0.87 N ATOM 2524 CA LYS B 70 -21.322 17.018 10.938 1.00 0.93 C ATOM 2525 C LYS B 70 -22.254 16.333 11.932 1.00 0.91 C ATOM 2526 O LYS B 70 -22.896 15.333 11.609 1.00 1.09 O ATOM 2527 CB LYS B 70 -22.148 17.848 9.952 1.00 1.06 C ATOM 2528 CG LYS B 70 -22.227 19.294 10.445 1.00 1.37 C ATOM 2529 CD LYS B 70 -22.865 20.167 9.363 1.00 1.59 C ATOM 2530 CE LYS B 70 -22.848 21.630 9.811 1.00 2.21 C ATOM 2531 NZ LYS B 70 -24.008 22.347 9.211 1.00 2.65 N ATOM 0 H LYS B 70 -21.052 15.217 9.893 1.00 0.87 H new ATOM 0 HA LYS B 70 -20.643 17.671 11.486 1.00 0.93 H new ATOM 0 HB2 LYS B 70 -21.694 17.814 8.962 1.00 1.06 H new ATOM 0 HB3 LYS B 70 -23.150 17.429 9.858 1.00 1.06 H new ATOM 0 HG2 LYS B 70 -22.814 19.345 11.362 1.00 1.37 H new ATOM 0 HG3 LYS B 70 -21.230 19.663 10.684 1.00 1.37 H new ATOM 0 HD2 LYS B 70 -22.321 20.057 8.425 1.00 1.59 H new ATOM 0 HD3 LYS B 70 -23.890 19.844 9.178 1.00 1.59 H new ATOM 0 HE2 LYS B 70 -22.893 21.689 10.898 1.00 2.21 H new ATOM 0 HE3 LYS B 70 -21.916 22.104 9.505 1.00 2.21 H new ATOM 0 HZ1 LYS B 70 -23.997 23.341 9.515 1.00 2.65 H new ATOM 0 HZ2 LYS B 70 -23.945 22.302 8.174 1.00 2.65 H new ATOM 0 HZ3 LYS B 70 -24.893 21.899 9.524 1.00 2.65 H new ATOM 2545 N ALA B 71 -22.323 16.876 13.143 1.00 1.05 N ATOM 2546 CA ALA B 71 -23.179 16.309 14.177 1.00 1.10 C ATOM 2547 C ALA B 71 -24.464 17.119 14.314 1.00 1.11 C ATOM 2548 O ALA B 71 -24.515 18.289 13.934 1.00 1.36 O ATOM 2549 CB ALA B 71 -22.440 16.293 15.516 1.00 1.28 C ATOM 0 H ALA B 71 -21.800 17.703 13.431 1.00 1.05 H new ATOM 0 HA ALA B 71 -23.435 15.289 13.890 1.00 1.10 H new ATOM 0 HB1 ALA B 71 -23.087 15.868 16.283 1.00 1.28 H new ATOM 0 HB2 ALA B 71 -21.537 15.688 15.426 1.00 1.28 H new ATOM 0 HB3 ALA B 71 -22.168 17.311 15.794 1.00 1.28 H new ATOM 2555 N LYS B 72 -25.500 16.489 14.859 1.00 1.11 N ATOM 2556 CA LYS B 72 -26.780 17.162 15.041 1.00 1.15 C ATOM 2557 C LYS B 72 -27.434 16.726 16.348 1.00 1.09 C ATOM 2558 O LYS B 72 -27.509 15.534 16.649 1.00 1.06 O ATOM 2559 CB LYS B 72 -27.711 16.837 13.871 1.00 1.34 C ATOM 2560 CG LYS B 72 -28.622 18.036 13.596 1.00 1.99 C ATOM 2561 CD LYS B 72 -29.813 17.587 12.747 1.00 2.37 C ATOM 2562 CE LYS B 72 -29.396 17.524 11.276 1.00 3.07 C ATOM 2563 NZ LYS B 72 -30.549 17.029 10.450 1.00 3.41 N ATOM 0 H LYS B 72 -25.479 15.521 15.180 1.00 1.11 H new ATOM 0 HA LYS B 72 -26.602 18.237 15.077 1.00 1.15 H new ATOM 0 HB2 LYS B 72 -27.126 16.599 12.982 1.00 1.34 H new ATOM 0 HB3 LYS B 72 -28.311 15.957 14.103 1.00 1.34 H new ATOM 0 HG2 LYS B 72 -28.972 18.463 14.536 1.00 1.99 H new ATOM 0 HG3 LYS B 72 -28.066 18.817 13.078 1.00 1.99 H new ATOM 0 HD2 LYS B 72 -30.162 16.609 13.079 1.00 2.37 H new ATOM 0 HD3 LYS B 72 -30.644 18.281 12.871 1.00 2.37 H new ATOM 0 HE2 LYS B 72 -29.086 18.511 10.932 1.00 3.07 H new ATOM 0 HE3 LYS B 72 -28.539 16.861 11.158 1.00 3.07 H new ATOM 0 HZ1 LYS B 72 -30.266 16.986 9.450 1.00 3.41 H new ATOM 0 HZ2 LYS B 72 -30.825 16.080 10.773 1.00 3.41 H new ATOM 0 HZ3 LYS B 72 -31.355 17.678 10.554 1.00 3.41 H new ATOM 2577 N ARG B 73 -27.906 17.698 17.121 1.00 1.22 N ATOM 2578 CA ARG B 73 -28.552 17.403 18.394 1.00 1.36 C ATOM 2579 C ARG B 73 -30.066 17.336 18.225 1.00 1.53 C ATOM 2580 O ARG B 73 -30.651 18.108 17.465 1.00 1.76 O ATOM 2581 CB ARG B 73 -28.200 18.482 19.420 1.00 1.70 C ATOM 2582 CG ARG B 73 -26.776 18.981 19.167 1.00 2.18 C ATOM 2583 CD ARG B 73 -26.134 19.388 20.495 1.00 2.67 C ATOM 2584 NE ARG B 73 -26.661 20.673 20.939 1.00 3.25 N ATOM 2585 CZ ARG B 73 -25.902 21.531 21.612 1.00 3.87 C ATOM 2586 NH1 ARG B 73 -24.662 21.230 21.886 1.00 4.05 N ATOM 2587 NH2 ARG B 73 -26.396 22.675 21.999 1.00 4.74 N ATOM 0 H ARG B 73 -27.854 18.690 16.890 1.00 1.22 H new ATOM 0 HA ARG B 73 -28.194 16.435 18.745 1.00 1.36 H new ATOM 0 HB2 ARG B 73 -28.905 19.310 19.349 1.00 1.70 H new ATOM 0 HB3 ARG B 73 -28.282 18.079 20.430 1.00 1.70 H new ATOM 0 HG2 ARG B 73 -26.185 18.199 18.690 1.00 2.18 H new ATOM 0 HG3 ARG B 73 -26.793 19.830 18.484 1.00 2.18 H new ATOM 0 HD2 ARG B 73 -26.330 18.627 21.250 1.00 2.67 H new ATOM 0 HD3 ARG B 73 -25.052 19.451 20.379 1.00 2.67 H new ATOM 0 HE ARG B 73 -27.629 20.917 20.729 1.00 3.25 H new ATOM 0 HH11 ARG B 73 -24.275 20.336 21.583 1.00 4.05 H new ATOM 0 HH12 ARG B 73 -24.079 21.889 22.403 1.00 4.05 H new ATOM 0 HH21 ARG B 73 -27.365 22.911 21.785 1.00 4.74 H new ATOM 0 HH22 ARG B 73 -25.813 23.334 22.516 1.00 4.74 H new ATOM 2601 N GLN B 74 -30.696 16.407 18.938 1.00 1.74 N ATOM 2602 CA GLN B 74 -32.143 16.248 18.858 1.00 2.15 C ATOM 2603 C GLN B 74 -32.679 15.577 20.118 1.00 2.38 C ATOM 2604 O GLN B 74 -32.749 14.350 20.198 1.00 2.84 O ATOM 2605 CB GLN B 74 -32.508 15.405 17.635 1.00 2.52 C ATOM 2606 CG GLN B 74 -33.633 16.093 16.859 1.00 3.03 C ATOM 2607 CD GLN B 74 -34.036 15.241 15.660 1.00 3.58 C ATOM 2608 OE1 GLN B 74 -33.233 15.023 14.753 1.00 4.03 O ATOM 2609 NE2 GLN B 74 -35.241 14.741 15.602 1.00 4.12 N ATOM 0 H GLN B 74 -30.231 15.758 19.573 1.00 1.74 H new ATOM 0 HA GLN B 74 -32.594 17.236 18.767 1.00 2.15 H new ATOM 0 HB2 GLN B 74 -31.635 15.277 16.995 1.00 2.52 H new ATOM 0 HB3 GLN B 74 -32.823 14.409 17.947 1.00 2.52 H new ATOM 0 HG2 GLN B 74 -34.493 16.249 17.510 1.00 3.03 H new ATOM 0 HG3 GLN B 74 -33.305 17.077 16.523 1.00 3.03 H new ATOM 0 HE21 GLN B 74 -35.905 14.923 16.354 1.00 4.12 H new ATOM 0 HE22 GLN B 74 -35.518 14.169 14.804 1.00 4.12 H new ATOM 2618 N GLY B 75 -33.056 16.389 21.101 1.00 2.33 N ATOM 2619 CA GLY B 75 -33.585 15.862 22.353 1.00 2.66 C ATOM 2620 C GLY B 75 -32.464 15.623 23.359 1.00 2.67 C ATOM 2621 O GLY B 75 -32.364 16.321 24.368 1.00 3.22 O ATOM 0 H GLY B 75 -33.005 17.407 21.055 1.00 2.33 H new ATOM 0 HA2 GLY B 75 -34.310 16.562 22.769 1.00 2.66 H new ATOM 0 HA3 GLY B 75 -34.115 14.928 22.164 1.00 2.66 H new ATOM 2625 N GLN B 76 -31.623 14.634 23.077 1.00 2.56 N ATOM 2626 CA GLN B 76 -30.512 14.313 23.964 1.00 2.65 C ATOM 2627 C GLN B 76 -29.338 13.748 23.172 1.00 2.24 C ATOM 2628 O GLN B 76 -28.398 14.469 22.838 1.00 2.53 O ATOM 2629 CB GLN B 76 -30.960 13.291 25.012 1.00 3.19 C ATOM 2630 CG GLN B 76 -29.887 13.167 26.095 1.00 3.80 C ATOM 2631 CD GLN B 76 -30.360 12.217 27.190 1.00 4.45 C ATOM 2632 OE1 GLN B 76 -31.442 11.511 27.007 1.00 4.75 O flip ATOM 2633 NE2 GLN B 76 -29.726 12.114 28.241 1.00 5.09 N flip ATOM 0 H GLN B 76 -31.689 14.045 22.247 1.00 2.56 H new ATOM 0 HA GLN B 76 -30.193 15.229 24.461 1.00 2.65 H new ATOM 0 HB2 GLN B 76 -31.906 13.601 25.456 1.00 3.19 H new ATOM 0 HB3 GLN B 76 -31.131 12.323 24.542 1.00 3.19 H new ATOM 0 HG2 GLN B 76 -28.959 12.799 25.658 1.00 3.80 H new ATOM 0 HG3 GLN B 76 -29.672 14.147 26.520 1.00 3.80 H new ATOM 0 HE21 GLN B 76 -28.880 12.666 28.383 1.00 5.09 H new ATOM 0 HE22 GLN B 76 -30.047 11.476 28.970 1.00 5.09 H new ATOM 2642 N SER B 77 -29.399 12.454 22.874 1.00 2.04 N ATOM 2643 CA SER B 77 -28.335 11.802 22.120 1.00 1.81 C ATOM 2644 C SER B 77 -28.029 12.578 20.844 1.00 1.39 C ATOM 2645 O SER B 77 -28.895 13.266 20.302 1.00 1.60 O ATOM 2646 CB SER B 77 -28.748 10.373 21.764 1.00 2.09 C ATOM 2647 OG SER B 77 -28.326 10.075 20.441 1.00 2.55 O ATOM 0 H SER B 77 -30.168 11.840 23.141 1.00 2.04 H new ATOM 0 HA SER B 77 -27.439 11.777 22.740 1.00 1.81 H new ATOM 0 HB2 SER B 77 -28.303 9.668 22.467 1.00 2.09 H new ATOM 0 HB3 SER B 77 -29.830 10.264 21.846 1.00 2.09 H new ATOM 0 HG SER B 77 -28.589 9.159 20.212 1.00 2.55 H new ATOM 2653 N MET B 78 -26.793 12.463 20.368 1.00 1.19 N ATOM 2654 CA MET B 78 -26.385 13.159 19.154 1.00 1.04 C ATOM 2655 C MET B 78 -26.272 12.182 17.988 1.00 0.95 C ATOM 2656 O MET B 78 -25.625 11.141 18.099 1.00 1.20 O ATOM 2657 CB MET B 78 -25.037 13.848 19.376 1.00 1.37 C ATOM 2658 CG MET B 78 -24.933 14.308 20.832 1.00 1.72 C ATOM 2659 SD MET B 78 -23.213 14.188 21.381 1.00 2.34 S ATOM 2660 CE MET B 78 -23.166 15.736 22.318 1.00 2.99 C ATOM 0 H MET B 78 -26.062 11.899 20.801 1.00 1.19 H new ATOM 0 HA MET B 78 -27.141 13.907 18.915 1.00 1.04 H new ATOM 0 HB2 MET B 78 -24.223 13.162 19.141 1.00 1.37 H new ATOM 0 HB3 MET B 78 -24.938 14.702 18.706 1.00 1.37 H new ATOM 0 HG2 MET B 78 -25.285 15.335 20.926 1.00 1.72 H new ATOM 0 HG3 MET B 78 -25.572 13.693 21.465 1.00 1.72 H new ATOM 0 HE1 MET B 78 -22.176 15.868 22.754 1.00 2.99 H new ATOM 0 HE2 MET B 78 -23.384 16.571 21.652 1.00 2.99 H new ATOM 0 HE3 MET B 78 -23.911 15.703 23.113 1.00 2.99 H new ATOM 2670 N ILE B 79 -26.906 12.525 16.872 1.00 0.87 N ATOM 2671 CA ILE B 79 -26.869 11.671 15.691 1.00 0.86 C ATOM 2672 C ILE B 79 -26.025 12.309 14.592 1.00 0.83 C ATOM 2673 O ILE B 79 -26.347 13.388 14.097 1.00 0.90 O ATOM 2674 CB ILE B 79 -28.290 11.436 15.173 1.00 0.98 C ATOM 2675 CG1 ILE B 79 -29.181 10.965 16.324 1.00 1.16 C ATOM 2676 CG2 ILE B 79 -28.264 10.368 14.078 1.00 1.59 C ATOM 2677 CD1 ILE B 79 -30.507 10.448 15.764 1.00 1.42 C ATOM 0 H ILE B 79 -27.448 13.382 16.761 1.00 0.87 H new ATOM 0 HA ILE B 79 -26.420 10.718 15.970 1.00 0.86 H new ATOM 0 HB ILE B 79 -28.686 12.366 14.764 1.00 0.98 H new ATOM 0 HG12 ILE B 79 -28.680 10.177 16.887 1.00 1.16 H new ATOM 0 HG13 ILE B 79 -29.362 11.786 17.017 1.00 1.16 H new ATOM 0 HG21 ILE B 79 -29.276 10.201 13.709 1.00 1.59 H new ATOM 0 HG22 ILE B 79 -27.629 10.703 13.258 1.00 1.59 H new ATOM 0 HG23 ILE B 79 -27.868 9.438 14.486 1.00 1.59 H new ATOM 0 HD11 ILE B 79 -31.142 10.112 16.584 1.00 1.42 H new ATOM 0 HD12 ILE B 79 -31.009 11.248 15.220 1.00 1.42 H new ATOM 0 HD13 ILE B 79 -30.316 9.614 15.088 1.00 1.42 H new ATOM 2689 N TYR B 80 -24.944 11.634 14.217 1.00 0.79 N ATOM 2690 CA TYR B 80 -24.060 12.144 13.176 1.00 0.79 C ATOM 2691 C TYR B 80 -24.737 12.067 11.812 1.00 0.79 C ATOM 2692 O TYR B 80 -25.912 11.712 11.710 1.00 0.85 O ATOM 2693 CB TYR B 80 -22.763 11.334 13.149 1.00 0.88 C ATOM 2694 CG TYR B 80 -22.079 11.433 14.492 1.00 1.20 C ATOM 2695 CD1 TYR B 80 -22.723 10.962 15.642 1.00 1.69 C ATOM 2696 CD2 TYR B 80 -20.801 11.997 14.586 1.00 2.16 C ATOM 2697 CE1 TYR B 80 -22.090 11.054 16.887 1.00 2.39 C ATOM 2698 CE2 TYR B 80 -20.167 12.089 15.831 1.00 2.96 C ATOM 2699 CZ TYR B 80 -20.811 11.618 16.981 1.00 2.89 C ATOM 2700 OH TYR B 80 -20.187 11.709 18.209 1.00 3.81 O ATOM 0 H TYR B 80 -24.660 10.739 14.615 1.00 0.79 H new ATOM 0 HA TYR B 80 -23.833 13.187 13.398 1.00 0.79 H new ATOM 0 HB2 TYR B 80 -22.978 10.291 12.914 1.00 0.88 H new ATOM 0 HB3 TYR B 80 -22.104 11.708 12.365 1.00 0.88 H new ATOM 0 HD1 TYR B 80 -23.709 10.527 15.569 1.00 1.69 H new ATOM 0 HD2 TYR B 80 -20.304 12.361 13.699 1.00 2.16 H new ATOM 0 HE1 TYR B 80 -22.587 10.691 17.774 1.00 2.39 H new ATOM 0 HE2 TYR B 80 -19.181 12.523 15.904 1.00 2.96 H new ATOM 0 HH TYR B 80 -19.306 12.124 18.098 1.00 3.81 H new ATOM 2710 N SER B 81 -23.989 12.402 10.765 1.00 0.79 N ATOM 2711 CA SER B 81 -24.529 12.366 9.411 1.00 0.86 C ATOM 2712 C SER B 81 -23.792 13.356 8.514 1.00 0.87 C ATOM 2713 O SER B 81 -23.400 14.436 8.956 1.00 1.03 O ATOM 2714 CB SER B 81 -26.019 12.709 9.435 1.00 0.98 C ATOM 2715 OG SER B 81 -26.356 13.434 8.260 1.00 1.47 O ATOM 0 H SER B 81 -23.015 12.699 10.827 1.00 0.79 H new ATOM 0 HA SER B 81 -24.394 11.361 9.012 1.00 0.86 H new ATOM 0 HB2 SER B 81 -26.612 11.797 9.495 1.00 0.98 H new ATOM 0 HB3 SER B 81 -26.253 13.301 10.320 1.00 0.98 H new ATOM 0 HG SER B 81 -27.311 13.653 8.274 1.00 1.47 H new ATOM 2721 N LEU B 82 -23.608 12.980 7.253 1.00 0.90 N ATOM 2722 CA LEU B 82 -22.917 13.843 6.302 1.00 0.94 C ATOM 2723 C LEU B 82 -23.844 14.949 5.809 1.00 0.97 C ATOM 2724 O LEU B 82 -25.067 14.805 5.836 1.00 1.61 O ATOM 2725 CB LEU B 82 -22.426 13.018 5.111 1.00 1.09 C ATOM 2726 CG LEU B 82 -21.628 11.815 5.618 1.00 1.45 C ATOM 2727 CD1 LEU B 82 -20.422 11.582 4.706 1.00 2.19 C ATOM 2728 CD2 LEU B 82 -21.143 12.089 7.043 1.00 2.18 C ATOM 0 H LEU B 82 -23.925 12.090 6.868 1.00 0.90 H new ATOM 0 HA LEU B 82 -22.064 14.298 6.806 1.00 0.94 H new ATOM 0 HB2 LEU B 82 -23.274 12.680 4.515 1.00 1.09 H new ATOM 0 HB3 LEU B 82 -21.804 13.633 4.461 1.00 1.09 H new ATOM 0 HG LEU B 82 -22.264 10.930 5.614 1.00 1.45 H new ATOM 0 HD11 LEU B 82 -19.853 10.725 5.067 1.00 2.19 H new ATOM 0 HD12 LEU B 82 -20.766 11.387 3.690 1.00 2.19 H new ATOM 0 HD13 LEU B 82 -19.786 12.467 4.710 1.00 2.19 H new ATOM 0 HD21 LEU B 82 -20.574 11.232 7.405 1.00 2.18 H new ATOM 0 HD22 LEU B 82 -20.507 12.974 7.047 1.00 2.18 H new ATOM 0 HD23 LEU B 82 -22.001 12.256 7.694 1.00 2.18 H new ATOM 2740 N ASP B 83 -23.255 16.051 5.358 1.00 1.07 N ATOM 2741 CA ASP B 83 -24.039 17.176 4.861 1.00 1.17 C ATOM 2742 C ASP B 83 -23.656 17.502 3.421 1.00 1.12 C ATOM 2743 O ASP B 83 -24.372 18.223 2.726 1.00 1.15 O ATOM 2744 CB ASP B 83 -23.806 18.404 5.743 1.00 1.39 C ATOM 2745 CG ASP B 83 -25.111 18.818 6.414 1.00 1.90 C ATOM 2746 OD1 ASP B 83 -26.096 18.966 5.709 1.00 2.66 O ATOM 2747 OD2 ASP B 83 -25.106 18.983 7.623 1.00 2.36 O ATOM 0 H ASP B 83 -22.245 16.189 5.326 1.00 1.07 H new ATOM 0 HA ASP B 83 -25.093 16.901 4.891 1.00 1.17 H new ATOM 0 HB2 ASP B 83 -23.053 18.182 6.499 1.00 1.39 H new ATOM 0 HB3 ASP B 83 -23.420 19.227 5.141 1.00 1.39 H new ATOM 2752 N ASP B 84 -22.523 16.966 2.980 1.00 1.18 N ATOM 2753 CA ASP B 84 -22.054 17.206 1.620 1.00 1.25 C ATOM 2754 C ASP B 84 -22.111 15.924 0.798 1.00 1.11 C ATOM 2755 O ASP B 84 -21.150 15.155 0.761 1.00 1.35 O ATOM 2756 CB ASP B 84 -20.617 17.732 1.649 1.00 1.63 C ATOM 2757 CG ASP B 84 -20.473 18.794 2.734 1.00 2.25 C ATOM 2758 OD1 ASP B 84 -21.491 19.271 3.207 1.00 2.59 O ATOM 2759 OD2 ASP B 84 -19.347 19.115 3.075 1.00 3.05 O ATOM 0 H ASP B 84 -21.916 16.367 3.540 1.00 1.18 H new ATOM 0 HA ASP B 84 -22.704 17.949 1.158 1.00 1.25 H new ATOM 0 HB2 ASP B 84 -19.924 16.912 1.837 1.00 1.63 H new ATOM 0 HB3 ASP B 84 -20.356 18.154 0.679 1.00 1.63 H new ATOM 2764 N ILE B 85 -23.243 15.699 0.139 1.00 1.13 N ATOM 2765 CA ILE B 85 -23.414 14.505 -0.681 1.00 1.27 C ATOM 2766 C ILE B 85 -22.289 14.390 -1.703 1.00 1.21 C ATOM 2767 O ILE B 85 -22.046 13.317 -2.256 1.00 1.33 O ATOM 2768 CB ILE B 85 -24.760 14.559 -1.406 1.00 1.63 C ATOM 2769 CG1 ILE B 85 -24.763 15.732 -2.389 1.00 2.33 C ATOM 2770 CG2 ILE B 85 -25.883 14.748 -0.384 1.00 2.45 C ATOM 2771 CD1 ILE B 85 -26.201 16.039 -2.813 1.00 2.83 C ATOM 0 H ILE B 85 -24.050 16.323 0.156 1.00 1.13 H new ATOM 0 HA ILE B 85 -23.386 13.632 -0.028 1.00 1.27 H new ATOM 0 HB ILE B 85 -24.917 13.628 -1.950 1.00 1.63 H new ATOM 0 HG12 ILE B 85 -24.314 16.610 -1.925 1.00 2.33 H new ATOM 0 HG13 ILE B 85 -24.159 15.489 -3.263 1.00 2.33 H new ATOM 0 HG21 ILE B 85 -26.842 14.787 -0.900 1.00 2.45 H new ATOM 0 HG22 ILE B 85 -25.881 13.913 0.317 1.00 2.45 H new ATOM 0 HG23 ILE B 85 -25.726 15.679 0.161 1.00 2.45 H new ATOM 0 HD11 ILE B 85 -26.203 16.874 -3.513 1.00 2.83 H new ATOM 0 HD12 ILE B 85 -26.634 15.162 -3.294 1.00 2.83 H new ATOM 0 HD13 ILE B 85 -26.791 16.300 -1.935 1.00 2.83 H new ATOM 2783 N HIS B 86 -21.604 15.502 -1.950 1.00 1.17 N ATOM 2784 CA HIS B 86 -20.506 15.515 -2.908 1.00 1.18 C ATOM 2785 C HIS B 86 -19.542 14.365 -2.635 1.00 1.07 C ATOM 2786 O HIS B 86 -19.324 13.508 -3.492 1.00 1.08 O ATOM 2787 CB HIS B 86 -19.753 16.844 -2.822 1.00 1.30 C ATOM 2788 CG HIS B 86 -20.341 17.818 -3.806 1.00 1.63 C ATOM 2789 ND1 HIS B 86 -19.769 18.051 -5.046 1.00 2.62 N ATOM 2790 CD2 HIS B 86 -21.450 18.626 -3.746 1.00 2.08 C ATOM 2791 CE1 HIS B 86 -20.528 18.966 -5.677 1.00 3.24 C ATOM 2792 NE2 HIS B 86 -21.566 19.349 -4.929 1.00 2.94 N ATOM 0 H HIS B 86 -21.789 16.400 -1.503 1.00 1.17 H new ATOM 0 HA HIS B 86 -20.922 15.396 -3.909 1.00 1.18 H new ATOM 0 HB2 HIS B 86 -19.819 17.247 -1.811 1.00 1.30 H new ATOM 0 HB3 HIS B 86 -18.695 16.689 -3.035 1.00 1.30 H new ATOM 0 HD2 HIS B 86 -22.129 18.690 -2.908 1.00 2.08 H new ATOM 0 HE1 HIS B 86 -20.323 19.344 -6.667 1.00 3.24 H new ATOM 0 HE2 HIS B 86 -22.289 20.026 -5.173 1.00 2.94 H new ATOM 2801 N VAL B 87 -18.969 14.352 -1.436 1.00 1.05 N ATOM 2802 CA VAL B 87 -18.029 13.302 -1.061 1.00 1.00 C ATOM 2803 C VAL B 87 -18.669 11.927 -1.222 1.00 0.98 C ATOM 2804 O VAL B 87 -18.025 10.982 -1.677 1.00 0.99 O ATOM 2805 CB VAL B 87 -17.587 13.493 0.392 1.00 1.08 C ATOM 2806 CG1 VAL B 87 -16.638 12.361 0.789 1.00 1.58 C ATOM 2807 CG2 VAL B 87 -16.867 14.836 0.533 1.00 1.57 C ATOM 0 H VAL B 87 -19.137 15.051 -0.712 1.00 1.05 H new ATOM 0 HA VAL B 87 -17.161 13.366 -1.717 1.00 1.00 H new ATOM 0 HB VAL B 87 -18.461 13.479 1.043 1.00 1.08 H new ATOM 0 HG11 VAL B 87 -16.323 12.496 1.824 1.00 1.58 H new ATOM 0 HG12 VAL B 87 -17.150 11.404 0.688 1.00 1.58 H new ATOM 0 HG13 VAL B 87 -15.763 12.374 0.139 1.00 1.58 H new ATOM 0 HG21 VAL B 87 -16.552 14.973 1.567 1.00 1.57 H new ATOM 0 HG22 VAL B 87 -15.993 14.850 -0.118 1.00 1.57 H new ATOM 0 HG23 VAL B 87 -17.543 15.643 0.250 1.00 1.57 H new ATOM 2817 N ALA B 88 -19.940 11.823 -0.847 1.00 1.01 N ATOM 2818 CA ALA B 88 -20.657 10.558 -0.954 1.00 1.06 C ATOM 2819 C ALA B 88 -20.575 10.015 -2.377 1.00 1.08 C ATOM 2820 O ALA B 88 -20.181 8.869 -2.592 1.00 1.08 O ATOM 2821 CB ALA B 88 -22.123 10.756 -0.566 1.00 1.17 C ATOM 0 H ALA B 88 -20.491 12.594 -0.469 1.00 1.01 H new ATOM 0 HA ALA B 88 -20.195 9.841 -0.276 1.00 1.06 H new ATOM 0 HB1 ALA B 88 -22.653 9.807 -0.648 1.00 1.17 H new ATOM 0 HB2 ALA B 88 -22.182 11.117 0.461 1.00 1.17 H new ATOM 0 HB3 ALA B 88 -22.581 11.486 -1.234 1.00 1.17 H new ATOM 2827 N THR B 89 -20.951 10.845 -3.345 1.00 1.16 N ATOM 2828 CA THR B 89 -20.916 10.436 -4.744 1.00 1.24 C ATOM 2829 C THR B 89 -19.477 10.264 -5.217 1.00 1.21 C ATOM 2830 O THR B 89 -19.160 9.321 -5.943 1.00 1.23 O ATOM 2831 CB THR B 89 -21.617 11.484 -5.611 1.00 1.39 C ATOM 2832 OG1 THR B 89 -21.092 12.770 -5.315 1.00 2.04 O ATOM 2833 CG2 THR B 89 -23.119 11.467 -5.318 1.00 1.75 C ATOM 0 H THR B 89 -21.281 11.797 -3.188 1.00 1.16 H new ATOM 0 HA THR B 89 -21.433 9.481 -4.837 1.00 1.24 H new ATOM 0 HB THR B 89 -21.450 11.256 -6.664 1.00 1.39 H new ATOM 0 HG1 THR B 89 -20.566 12.726 -4.490 1.00 2.04 H new ATOM 0 HG21 THR B 89 -23.619 12.213 -5.935 1.00 1.75 H new ATOM 0 HG22 THR B 89 -23.523 10.480 -5.544 1.00 1.75 H new ATOM 0 HG23 THR B 89 -23.287 11.695 -4.266 1.00 1.75 H new ATOM 2841 N MET B 90 -18.609 11.180 -4.801 1.00 1.19 N ATOM 2842 CA MET B 90 -17.204 11.120 -5.189 1.00 1.18 C ATOM 2843 C MET B 90 -16.609 9.760 -4.837 1.00 1.10 C ATOM 2844 O MET B 90 -15.891 9.161 -5.637 1.00 1.09 O ATOM 2845 CB MET B 90 -16.419 12.222 -4.477 1.00 1.22 C ATOM 2846 CG MET B 90 -15.129 12.509 -5.248 1.00 1.47 C ATOM 2847 SD MET B 90 -14.673 14.248 -5.035 1.00 2.10 S ATOM 2848 CE MET B 90 -13.319 14.275 -6.236 1.00 2.71 C ATOM 0 H MET B 90 -18.851 11.968 -4.200 1.00 1.19 H new ATOM 0 HA MET B 90 -17.137 11.265 -6.267 1.00 1.18 H new ATOM 0 HB2 MET B 90 -17.023 13.127 -4.408 1.00 1.22 H new ATOM 0 HB3 MET B 90 -16.185 11.916 -3.457 1.00 1.22 H new ATOM 0 HG2 MET B 90 -14.327 11.865 -4.888 1.00 1.47 H new ATOM 0 HG3 MET B 90 -15.267 12.285 -6.306 1.00 1.47 H new ATOM 0 HE1 MET B 90 -12.883 15.273 -6.270 1.00 2.71 H new ATOM 0 HE2 MET B 90 -12.556 13.555 -5.940 1.00 2.71 H new ATOM 0 HE3 MET B 90 -13.702 14.013 -7.222 1.00 2.71 H new ATOM 2858 N LEU B 91 -16.912 9.280 -3.636 1.00 1.06 N ATOM 2859 CA LEU B 91 -16.400 7.990 -3.188 1.00 1.02 C ATOM 2860 C LEU B 91 -16.937 6.866 -4.068 1.00 1.05 C ATOM 2861 O LEU B 91 -16.201 5.954 -4.444 1.00 1.05 O ATOM 2862 CB LEU B 91 -16.810 7.743 -1.735 1.00 1.01 C ATOM 2863 CG LEU B 91 -15.837 6.753 -1.092 1.00 1.13 C ATOM 2864 CD1 LEU B 91 -14.588 7.500 -0.619 1.00 1.64 C ATOM 2865 CD2 LEU B 91 -16.511 6.078 0.104 1.00 1.86 C ATOM 0 H LEU B 91 -17.505 9.760 -2.959 1.00 1.06 H new ATOM 0 HA LEU B 91 -15.313 8.006 -3.261 1.00 1.02 H new ATOM 0 HB2 LEU B 91 -16.809 8.682 -1.181 1.00 1.01 H new ATOM 0 HB3 LEU B 91 -17.826 7.350 -1.694 1.00 1.01 H new ATOM 0 HG LEU B 91 -15.553 5.996 -1.823 1.00 1.13 H new ATOM 0 HD11 LEU B 91 -13.894 6.795 -0.161 1.00 1.64 H new ATOM 0 HD12 LEU B 91 -14.107 7.981 -1.471 1.00 1.64 H new ATOM 0 HD13 LEU B 91 -14.872 8.257 0.112 1.00 1.64 H new ATOM 0 HD21 LEU B 91 -15.818 5.373 0.562 1.00 1.86 H new ATOM 0 HD22 LEU B 91 -16.796 6.834 0.836 1.00 1.86 H new ATOM 0 HD23 LEU B 91 -17.401 5.546 -0.232 1.00 1.86 H new ATOM 2877 N LYS B 92 -18.224 6.938 -4.392 1.00 1.13 N ATOM 2878 CA LYS B 92 -18.849 5.920 -5.228 1.00 1.21 C ATOM 2879 C LYS B 92 -18.171 5.856 -6.593 1.00 1.24 C ATOM 2880 O LYS B 92 -17.916 4.773 -7.119 1.00 1.32 O ATOM 2881 CB LYS B 92 -20.335 6.235 -5.410 1.00 1.31 C ATOM 2882 CG LYS B 92 -21.163 4.988 -5.094 1.00 1.81 C ATOM 2883 CD LYS B 92 -22.647 5.360 -5.046 1.00 2.06 C ATOM 2884 CE LYS B 92 -23.486 4.090 -4.892 1.00 2.80 C ATOM 2885 NZ LYS B 92 -24.191 4.117 -3.579 1.00 3.09 N ATOM 0 H LYS B 92 -18.850 7.685 -4.091 1.00 1.13 H new ATOM 0 HA LYS B 92 -18.739 4.954 -4.735 1.00 1.21 H new ATOM 0 HB2 LYS B 92 -20.627 7.055 -4.753 1.00 1.31 H new ATOM 0 HB3 LYS B 92 -20.526 6.562 -6.432 1.00 1.31 H new ATOM 0 HG2 LYS B 92 -20.993 4.224 -5.852 1.00 1.81 H new ATOM 0 HG3 LYS B 92 -20.852 4.564 -4.139 1.00 1.81 H new ATOM 0 HD2 LYS B 92 -22.836 6.037 -4.213 1.00 2.06 H new ATOM 0 HD3 LYS B 92 -22.930 5.888 -5.957 1.00 2.06 H new ATOM 0 HE2 LYS B 92 -24.210 4.019 -5.704 1.00 2.80 H new ATOM 0 HE3 LYS B 92 -22.847 3.209 -4.956 1.00 2.80 H new ATOM 0 HZ1 LYS B 92 -24.762 3.254 -3.474 1.00 3.09 H new ATOM 0 HZ2 LYS B 92 -23.492 4.166 -2.811 1.00 3.09 H new ATOM 0 HZ3 LYS B 92 -24.812 4.950 -3.536 1.00 3.09 H new ATOM 2899 N GLN B 93 -17.881 7.023 -7.159 1.00 1.25 N ATOM 2900 CA GLN B 93 -17.232 7.087 -8.463 1.00 1.31 C ATOM 2901 C GLN B 93 -15.864 6.415 -8.416 1.00 1.23 C ATOM 2902 O GLN B 93 -15.467 5.726 -9.356 1.00 1.27 O ATOM 2903 CB GLN B 93 -17.070 8.546 -8.894 1.00 1.40 C ATOM 2904 CG GLN B 93 -18.172 8.910 -9.890 1.00 1.71 C ATOM 2905 CD GLN B 93 -17.864 10.254 -10.541 1.00 2.13 C ATOM 2906 OE1 GLN B 93 -16.956 10.962 -10.104 1.00 2.62 O ATOM 2907 NE2 GLN B 93 -18.569 10.650 -11.565 1.00 2.70 N ATOM 0 H GLN B 93 -18.083 7.930 -6.739 1.00 1.25 H new ATOM 0 HA GLN B 93 -17.857 6.561 -9.184 1.00 1.31 H new ATOM 0 HB2 GLN B 93 -17.121 9.201 -8.024 1.00 1.40 H new ATOM 0 HB3 GLN B 93 -16.091 8.695 -9.349 1.00 1.40 H new ATOM 0 HG2 GLN B 93 -18.253 8.137 -10.654 1.00 1.71 H new ATOM 0 HG3 GLN B 93 -19.134 8.956 -9.380 1.00 1.71 H new ATOM 0 HE21 GLN B 93 -19.320 10.062 -11.925 1.00 2.70 H new ATOM 0 HE22 GLN B 93 -18.369 11.548 -12.006 1.00 2.70 H new ATOM 2916 N ALA B 94 -15.148 6.619 -7.315 1.00 1.17 N ATOM 2917 CA ALA B 94 -13.825 6.028 -7.156 1.00 1.14 C ATOM 2918 C ALA B 94 -13.924 4.509 -7.059 1.00 1.17 C ATOM 2919 O ALA B 94 -13.093 3.786 -7.609 1.00 1.21 O ATOM 2920 CB ALA B 94 -13.156 6.578 -5.895 1.00 1.14 C ATOM 0 H ALA B 94 -15.459 7.185 -6.525 1.00 1.17 H new ATOM 0 HA ALA B 94 -13.225 6.287 -8.029 1.00 1.14 H new ATOM 0 HB1 ALA B 94 -12.168 6.132 -5.783 1.00 1.14 H new ATOM 0 HB2 ALA B 94 -13.058 7.660 -5.978 1.00 1.14 H new ATOM 0 HB3 ALA B 94 -13.765 6.334 -5.024 1.00 1.14 H new ATOM 2926 N ILE B 95 -14.946 4.031 -6.357 1.00 1.20 N ATOM 2927 CA ILE B 95 -15.144 2.596 -6.194 1.00 1.32 C ATOM 2928 C ILE B 95 -15.728 1.988 -7.465 1.00 1.38 C ATOM 2929 O ILE B 95 -15.439 0.841 -7.806 1.00 1.51 O ATOM 2930 CB ILE B 95 -16.088 2.330 -5.020 1.00 1.42 C ATOM 2931 CG1 ILE B 95 -15.387 2.696 -3.710 1.00 1.29 C ATOM 2932 CG2 ILE B 95 -16.469 0.848 -4.997 1.00 1.90 C ATOM 2933 CD1 ILE B 95 -16.377 2.572 -2.550 1.00 1.33 C ATOM 0 H ILE B 95 -15.645 4.612 -5.895 1.00 1.20 H new ATOM 0 HA ILE B 95 -14.177 2.135 -5.995 1.00 1.32 H new ATOM 0 HB ILE B 95 -16.988 2.935 -5.133 1.00 1.42 H new ATOM 0 HG12 ILE B 95 -14.534 2.038 -3.546 1.00 1.29 H new ATOM 0 HG13 ILE B 95 -15.000 3.713 -3.764 1.00 1.29 H new ATOM 0 HG21 ILE B 95 -17.142 0.658 -4.161 1.00 1.90 H new ATOM 0 HG22 ILE B 95 -16.968 0.586 -5.930 1.00 1.90 H new ATOM 0 HG23 ILE B 95 -15.570 0.243 -4.884 1.00 1.90 H new ATOM 0 HD11 ILE B 95 -15.878 2.833 -1.617 1.00 1.33 H new ATOM 0 HD12 ILE B 95 -17.216 3.248 -2.714 1.00 1.33 H new ATOM 0 HD13 ILE B 95 -16.743 1.547 -2.492 1.00 1.33 H new ATOM 2945 N HIS B 96 -16.552 2.764 -8.162 1.00 1.36 N ATOM 2946 CA HIS B 96 -17.171 2.291 -9.394 1.00 1.51 C ATOM 2947 C HIS B 96 -16.109 1.979 -10.443 1.00 1.52 C ATOM 2948 O HIS B 96 -16.285 1.085 -11.272 1.00 1.70 O ATOM 2949 CB HIS B 96 -18.130 3.352 -9.937 1.00 1.57 C ATOM 2950 CG HIS B 96 -19.232 2.684 -10.712 1.00 1.98 C ATOM 2951 ND1 HIS B 96 -19.073 2.285 -12.029 1.00 2.51 N ATOM 2952 CD2 HIS B 96 -20.515 2.338 -10.367 1.00 2.63 C ATOM 2953 CE1 HIS B 96 -20.231 1.727 -12.427 1.00 2.98 C ATOM 2954 NE2 HIS B 96 -21.144 1.733 -11.452 1.00 3.05 N ATOM 0 H HIS B 96 -16.805 3.716 -7.897 1.00 1.36 H new ATOM 0 HA HIS B 96 -17.725 1.379 -9.172 1.00 1.51 H new ATOM 0 HB2 HIS B 96 -18.549 3.933 -9.115 1.00 1.57 H new ATOM 0 HB3 HIS B 96 -17.592 4.050 -10.578 1.00 1.57 H new ATOM 0 HD2 HIS B 96 -20.967 2.509 -9.401 1.00 2.63 H new ATOM 0 HE1 HIS B 96 -20.401 1.324 -13.414 1.00 2.98 H new ATOM 0 HE2 HIS B 96 -22.097 1.372 -11.493 1.00 3.05 H new ATOM 2963 N HIS B 97 -15.007 2.720 -10.401 1.00 1.39 N ATOM 2964 CA HIS B 97 -13.922 2.514 -11.353 1.00 1.42 C ATOM 2965 C HIS B 97 -12.880 1.560 -10.780 1.00 1.49 C ATOM 2966 O HIS B 97 -12.005 1.077 -11.499 1.00 1.62 O ATOM 2967 CB HIS B 97 -13.261 3.852 -11.689 1.00 1.52 C ATOM 2968 CG HIS B 97 -13.072 3.958 -13.177 1.00 2.07 C ATOM 2969 ND1 HIS B 97 -12.954 5.180 -13.822 1.00 2.77 N ATOM 2970 CD2 HIS B 97 -12.978 3.005 -14.160 1.00 2.88 C ATOM 2971 CE1 HIS B 97 -12.797 4.932 -15.135 1.00 3.63 C ATOM 2972 NE2 HIS B 97 -12.805 3.622 -15.396 1.00 3.69 N ATOM 0 H HIS B 97 -14.842 3.464 -9.723 1.00 1.39 H new ATOM 0 HA HIS B 97 -14.339 2.076 -12.260 1.00 1.42 H new ATOM 0 HB2 HIS B 97 -13.879 4.675 -11.331 1.00 1.52 H new ATOM 0 HB3 HIS B 97 -12.299 3.932 -11.183 1.00 1.52 H new ATOM 0 HD2 HIS B 97 -13.030 1.938 -13.999 1.00 2.88 H new ATOM 0 HE1 HIS B 97 -12.679 5.699 -15.886 1.00 3.63 H new ATOM 0 HE2 HIS B 97 -12.706 3.171 -16.305 1.00 3.69 H new