USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 1.2: A 120 A2G O6 : rot -30:sc= 0.176 USER MOD Set 2.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 77 THR OG1 : rot -110:sc= 0.183 USER MOD Set 3.2: A 100 THR OG1 : rot -84:sc= 0.562 USER MOD Set 3.3: A 101 ASN : amide:sc= 0.855 K(o=1.6,f=0.19) USER MOD Set 4.1: A 34 GLN :FLIP amide:sc= -4.52! C(o=-7.6!,f=-3.7!) USER MOD Set 4.2: A 68 THR OG1 : rot -160:sc= 0.818 USER MOD Set 5.1: A 45 LYS NZ :NH3+ -156:sc= 0.0199 (180deg=-1.65) USER MOD Set 5.2: A 64 THR OG1 : rot 117:sc= -0.452 USER MOD Set 6.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 88 TYR OH : rot 30:sc= -0.623 USER MOD Single : A 1 ASP N :NH3+ 172:sc= -0.398 (180deg=-0.431) USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= 0.367 (180deg=-0.72) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.674 K(o=-0.67,f=-3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0844 (180deg=-0.427) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -64:sc= 0.133 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 51 SER OG : rot -55:sc= 0.00444 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0345 X(o=-0.035,f=-0.52) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.126 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-3.1!) USER MOD Single : A 71 LYS NZ :NH3+ 144:sc= -0.467 (180deg=-1.45!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.737 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00266 USER MOD Single : A 94 THR OG1 : rot -130:sc= 0.943 USER MOD Single : A 103 ASN : amide:sc= -0.0722 X(o=-0.072,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-5.4!) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 113 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.1) USER MOD Single : A 114 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.21) USER MOD Single : A 115 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.2) USER MOD Single : A 116 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.0092) USER MOD Single : A 118 A2G O6 : rot -23:sc= -0.303 USER MOD Single : A 121 A2G O3 : rot 180:sc= -0.24 USER MOD Single : A 121 A2G O6 : rot 11:sc=-0.00346 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 122 A2G O6 : rot 180:sc= 0 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 170:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.091 2.052 0.914 1.00 54.32 N ATOM 2 CA ASP A 1 0.455 1.779 -0.472 1.00 30.30 C ATOM 3 C ASP A 1 1.083 3.008 -1.121 1.00 71.32 C ATOM 4 O ASP A 1 0.882 3.267 -2.308 1.00 31.21 O ATOM 5 CB ASP A 1 -0.775 1.338 -1.267 1.00 54.11 C ATOM 6 CG ASP A 1 -0.467 0.211 -2.233 1.00 52.53 C ATOM 7 OD1 ASP A 1 -0.382 -0.951 -1.784 1.00 11.31 O ATOM 8 OD2 ASP A 1 -0.310 0.493 -3.440 1.00 61.41 O ATOM 0 H1 ASP A 1 -0.455 1.252 1.294 1.00 54.32 H new ATOM 0 H2 ASP A 1 0.954 2.183 1.480 1.00 54.32 H new ATOM 0 H3 ASP A 1 -0.486 2.916 0.958 1.00 54.32 H new ATOM 0 HA ASP A 1 1.189 0.973 -0.477 1.00 30.30 H new ATOM 0 HB2 ASP A 1 -1.555 1.017 -0.576 1.00 54.11 H new ATOM 0 HB3 ASP A 1 -1.170 2.189 -1.821 1.00 54.11 H new ATOM 13 N VAL A 2 1.845 3.762 -0.336 1.00 63.12 N ATOM 14 CA VAL A 2 2.503 4.964 -0.834 1.00 0.01 C ATOM 15 C VAL A 2 3.795 5.238 -0.074 1.00 14.31 C ATOM 16 O VAL A 2 3.879 5.006 1.133 1.00 71.25 O ATOM 17 CB VAL A 2 1.583 6.194 -0.723 1.00 3.11 C ATOM 18 CG1 VAL A 2 2.346 7.465 -1.069 1.00 22.21 C ATOM 19 CG2 VAL A 2 0.366 6.032 -1.622 1.00 32.14 C ATOM 0 H VAL A 2 2.022 3.562 0.648 1.00 63.12 H new ATOM 0 HA VAL A 2 2.734 4.787 -1.884 1.00 0.01 H new ATOM 0 HB VAL A 2 1.237 6.275 0.307 1.00 3.11 H new ATOM 0 HG11 VAL A 2 1.680 8.324 -0.985 1.00 22.21 H new ATOM 0 HG12 VAL A 2 3.182 7.586 -0.381 1.00 22.21 H new ATOM 0 HG13 VAL A 2 2.723 7.397 -2.089 1.00 22.21 H new ATOM 0 HG21 VAL A 2 -0.273 6.910 -1.531 1.00 32.14 H new ATOM 0 HG22 VAL A 2 0.690 5.925 -2.657 1.00 32.14 H new ATOM 0 HG23 VAL A 2 -0.192 5.145 -1.323 1.00 32.14 H new ATOM 29 N ILE A 3 4.800 5.736 -0.787 1.00 20.42 N ATOM 30 CA ILE A 3 6.088 6.044 -0.178 1.00 10.42 C ATOM 31 C ILE A 3 6.173 7.515 0.214 1.00 3.05 C ATOM 32 O ILE A 3 5.580 8.377 -0.436 1.00 61.03 O ATOM 33 CB ILE A 3 7.253 5.710 -1.127 1.00 65.05 C ATOM 34 CG1 ILE A 3 7.142 4.265 -1.619 1.00 32.31 C ATOM 35 CG2 ILE A 3 8.587 5.936 -0.430 1.00 51.24 C ATOM 36 CD1 ILE A 3 8.269 3.850 -2.539 1.00 70.21 C ATOM 0 H ILE A 3 4.747 5.935 -1.786 1.00 20.42 H new ATOM 0 HA ILE A 3 6.170 5.427 0.717 1.00 10.42 H new ATOM 0 HB ILE A 3 7.199 6.373 -1.990 1.00 65.05 H new ATOM 0 HG12 ILE A 3 7.123 3.597 -0.758 1.00 32.31 H new ATOM 0 HG13 ILE A 3 6.193 4.140 -2.141 1.00 32.31 H new ATOM 0 HG21 ILE A 3 9.400 5.695 -1.114 1.00 51.24 H new ATOM 0 HG22 ILE A 3 8.666 6.979 -0.125 1.00 51.24 H new ATOM 0 HG23 ILE A 3 8.651 5.295 0.449 1.00 51.24 H new ATOM 0 HD11 ILE A 3 8.124 2.815 -2.848 1.00 70.21 H new ATOM 0 HD12 ILE A 3 8.276 4.493 -3.419 1.00 70.21 H new ATOM 0 HD13 ILE A 3 9.220 3.943 -2.014 1.00 70.21 H new ATOM 48 N ILE A 4 6.916 7.796 1.280 1.00 75.03 N ATOM 49 CA ILE A 4 7.080 9.164 1.757 1.00 24.43 C ATOM 50 C ILE A 4 8.465 9.702 1.415 1.00 62.22 C ATOM 51 O ILE A 4 9.482 9.129 1.809 1.00 54.10 O ATOM 52 CB ILE A 4 6.866 9.258 3.279 1.00 3.10 C ATOM 53 CG1 ILE A 4 5.392 9.037 3.625 1.00 52.34 C ATOM 54 CG2 ILE A 4 7.342 10.607 3.798 1.00 72.11 C ATOM 55 CD1 ILE A 4 5.096 9.141 5.104 1.00 41.12 C ATOM 0 H ILE A 4 7.413 7.095 1.829 1.00 75.03 H new ATOM 0 HA ILE A 4 6.324 9.767 1.254 1.00 24.43 H new ATOM 0 HB ILE A 4 7.453 8.477 3.762 1.00 3.10 H new ATOM 0 HG12 ILE A 4 4.788 9.769 3.090 1.00 52.34 H new ATOM 0 HG13 ILE A 4 5.088 8.052 3.270 1.00 52.34 H new ATOM 0 HG21 ILE A 4 7.184 10.659 4.875 1.00 72.11 H new ATOM 0 HG22 ILE A 4 8.403 10.727 3.580 1.00 72.11 H new ATOM 0 HG23 ILE A 4 6.780 11.403 3.310 1.00 72.11 H new ATOM 0 HD11 ILE A 4 4.033 8.973 5.275 1.00 41.12 H new ATOM 0 HD12 ILE A 4 5.673 8.391 5.644 1.00 41.12 H new ATOM 0 HD13 ILE A 4 5.369 10.134 5.461 1.00 41.12 H new ATOM 67 N LYS A 5 8.498 10.808 0.679 1.00 41.24 N ATOM 68 CA LYS A 5 9.758 11.427 0.285 1.00 44.43 C ATOM 69 C LYS A 5 9.749 12.921 0.592 1.00 42.53 C ATOM 70 O LYS A 5 8.699 13.531 0.797 1.00 2.45 O ATOM 71 CB LYS A 5 10.016 11.204 -1.207 1.00 31.25 C ATOM 72 CG LYS A 5 8.754 10.925 -2.007 1.00 42.42 C ATOM 73 CD LYS A 5 8.494 9.434 -2.137 1.00 5.11 C ATOM 74 CE LYS A 5 9.541 8.759 -3.011 1.00 15.15 C ATOM 75 NZ LYS A 5 8.994 7.560 -3.704 1.00 11.33 N ATOM 0 H LYS A 5 7.666 11.294 0.343 1.00 41.24 H new ATOM 0 HA LYS A 5 10.558 10.960 0.859 1.00 44.43 H new ATOM 0 HB2 LYS A 5 10.509 12.085 -1.618 1.00 31.25 H new ATOM 0 HB3 LYS A 5 10.705 10.368 -1.327 1.00 31.25 H new ATOM 0 HG2 LYS A 5 7.902 11.403 -1.523 1.00 42.42 H new ATOM 0 HG3 LYS A 5 8.846 11.367 -2.999 1.00 42.42 H new ATOM 0 HD2 LYS A 5 8.494 8.976 -1.148 1.00 5.11 H new ATOM 0 HD3 LYS A 5 7.504 9.272 -2.563 1.00 5.11 H new ATOM 0 HE2 LYS A 5 9.910 9.470 -3.751 1.00 15.15 H new ATOM 0 HE3 LYS A 5 10.393 8.467 -2.397 1.00 15.15 H new ATOM 0 HZ1 LYS A 5 9.468 6.706 -3.346 1.00 11.33 H new ATOM 0 HZ2 LYS A 5 7.972 7.491 -3.523 1.00 11.33 H new ATOM 0 HZ3 LYS A 5 9.160 7.645 -4.727 1.00 11.33 H new ATOM 89 N PRO A 6 10.945 13.528 0.623 1.00 62.20 N ATOM 90 CA PRO A 6 11.101 14.958 0.901 1.00 22.21 C ATOM 91 C PRO A 6 10.578 15.830 -0.236 1.00 5.33 C ATOM 92 O PRO A 6 10.372 17.031 -0.063 1.00 43.30 O ATOM 93 CB PRO A 6 12.614 15.128 1.054 1.00 61.15 C ATOM 94 CG PRO A 6 13.202 14.010 0.262 1.00 32.12 C ATOM 95 CD PRO A 6 12.238 12.863 0.387 1.00 0.23 C ATOM 0 HA PRO A 6 10.534 15.266 1.779 1.00 22.21 H new ATOM 0 HB2 PRO A 6 12.944 16.096 0.678 1.00 61.15 H new ATOM 0 HB3 PRO A 6 12.915 15.073 2.100 1.00 61.15 H new ATOM 0 HG2 PRO A 6 13.333 14.298 -0.781 1.00 32.12 H new ATOM 0 HG3 PRO A 6 14.186 13.736 0.644 1.00 32.12 H new ATOM 0 HD2 PRO A 6 12.218 12.255 -0.517 1.00 0.23 H new ATOM 0 HD3 PRO A 6 12.506 12.201 1.211 1.00 0.23 H new ATOM 103 N GLN A 7 10.367 15.218 -1.396 1.00 4.45 N ATOM 104 CA GLN A 7 9.870 15.940 -2.560 1.00 61.12 C ATOM 105 C GLN A 7 10.961 16.818 -3.164 1.00 71.33 C ATOM 106 O GLN A 7 11.127 16.870 -4.383 1.00 73.43 O ATOM 107 CB GLN A 7 8.663 16.798 -2.178 1.00 0.02 C ATOM 108 CG GLN A 7 8.248 17.782 -3.259 1.00 11.43 C ATOM 109 CD GLN A 7 6.750 17.796 -3.493 1.00 51.33 C ATOM 110 OE1 GLN A 7 6.279 17.497 -4.591 1.00 11.43 O ATOM 111 NE2 GLN A 7 5.992 18.144 -2.460 1.00 4.34 N ATOM 0 H GLN A 7 10.532 14.224 -1.555 1.00 4.45 H new ATOM 0 HA GLN A 7 9.564 15.207 -3.306 1.00 61.12 H new ATOM 0 HB2 GLN A 7 7.821 16.144 -1.951 1.00 0.02 H new ATOM 0 HB3 GLN A 7 8.894 17.349 -1.266 1.00 0.02 H new ATOM 0 HG2 GLN A 7 8.577 18.783 -2.980 1.00 11.43 H new ATOM 0 HG3 GLN A 7 8.755 17.528 -4.190 1.00 11.43 H new ATOM 0 HE21 GLN A 7 6.425 18.384 -1.568 1.00 4.34 H new ATOM 0 HE22 GLN A 7 4.977 18.171 -2.558 1.00 4.34 H new ATOM 120 N VAL A 8 11.703 17.507 -2.304 1.00 12.54 N ATOM 121 CA VAL A 8 12.780 18.382 -2.752 1.00 32.10 C ATOM 122 C VAL A 8 14.137 17.867 -2.285 1.00 10.30 C ATOM 123 O VAL A 8 14.227 16.827 -1.635 1.00 22.24 O ATOM 124 CB VAL A 8 12.584 19.821 -2.238 1.00 3.43 C ATOM 125 CG1 VAL A 8 11.308 20.423 -2.806 1.00 21.33 C ATOM 126 CG2 VAL A 8 12.563 19.845 -0.717 1.00 21.41 C ATOM 0 H VAL A 8 11.578 17.476 -1.292 1.00 12.54 H new ATOM 0 HA VAL A 8 12.752 18.386 -3.842 1.00 32.10 H new ATOM 0 HB VAL A 8 13.425 20.426 -2.577 1.00 3.43 H new ATOM 0 HG11 VAL A 8 11.187 21.439 -2.431 1.00 21.33 H new ATOM 0 HG12 VAL A 8 11.368 20.442 -3.894 1.00 21.33 H new ATOM 0 HG13 VAL A 8 10.453 19.820 -2.500 1.00 21.33 H new ATOM 0 HG21 VAL A 8 12.424 20.869 -0.371 1.00 21.41 H new ATOM 0 HG22 VAL A 8 11.743 19.225 -0.355 1.00 21.41 H new ATOM 0 HG23 VAL A 8 13.507 19.458 -0.334 1.00 21.41 H new ATOM 136 N SER A 9 15.191 18.605 -2.623 1.00 22.33 N ATOM 137 CA SER A 9 16.545 18.221 -2.241 1.00 73.03 C ATOM 138 C SER A 9 17.053 19.089 -1.094 1.00 13.24 C ATOM 139 O SER A 9 17.254 20.293 -1.253 1.00 33.40 O ATOM 140 CB SER A 9 17.487 18.338 -3.441 1.00 1.34 C ATOM 141 OG SER A 9 17.215 17.335 -4.403 1.00 55.31 O ATOM 0 H SER A 9 15.133 19.470 -3.160 1.00 22.33 H new ATOM 0 HA SER A 9 16.522 17.184 -1.905 1.00 73.03 H new ATOM 0 HB2 SER A 9 17.379 19.322 -3.897 1.00 1.34 H new ATOM 0 HB3 SER A 9 18.521 18.253 -3.105 1.00 1.34 H new ATOM 0 HG SER A 9 17.829 17.433 -5.160 1.00 55.31 H new ATOM 147 N GLY A 10 17.259 18.469 0.064 1.00 30.43 N ATOM 148 CA GLY A 10 17.740 19.199 1.221 1.00 25.11 C ATOM 149 C GLY A 10 18.428 18.300 2.229 1.00 64.22 C ATOM 150 O GLY A 10 19.118 17.350 1.856 1.00 11.10 O ATOM 0 H GLY A 10 17.101 17.474 0.221 1.00 30.43 H new ATOM 0 HA2 GLY A 10 18.435 19.973 0.895 1.00 25.11 H new ATOM 0 HA3 GLY A 10 16.902 19.704 1.702 1.00 25.11 H new ATOM 154 N VAL A 11 18.243 18.599 3.511 1.00 61.32 N ATOM 155 CA VAL A 11 18.852 17.811 4.576 1.00 30.42 C ATOM 156 C VAL A 11 17.857 17.547 5.701 1.00 65.43 C ATOM 157 O VAL A 11 17.046 18.408 6.041 1.00 4.21 O ATOM 158 CB VAL A 11 20.092 18.515 5.157 1.00 11.03 C ATOM 159 CG1 VAL A 11 20.749 17.648 6.222 1.00 54.35 C ATOM 160 CG2 VAL A 11 21.080 18.854 4.051 1.00 71.23 C ATOM 0 H VAL A 11 17.676 19.382 3.837 1.00 61.32 H new ATOM 0 HA VAL A 11 19.157 16.863 4.134 1.00 30.42 H new ATOM 0 HB VAL A 11 19.773 19.446 5.626 1.00 11.03 H new ATOM 0 HG11 VAL A 11 21.623 18.162 6.621 1.00 54.35 H new ATOM 0 HG12 VAL A 11 20.039 17.461 7.028 1.00 54.35 H new ATOM 0 HG13 VAL A 11 21.056 16.700 5.781 1.00 54.35 H new ATOM 0 HG21 VAL A 11 21.950 19.351 4.480 1.00 71.23 H new ATOM 0 HG22 VAL A 11 21.395 17.938 3.551 1.00 71.23 H new ATOM 0 HG23 VAL A 11 20.604 19.516 3.328 1.00 71.23 H new ATOM 170 N ILE A 12 17.926 16.349 6.274 1.00 23.04 N ATOM 171 CA ILE A 12 17.032 15.972 7.363 1.00 53.24 C ATOM 172 C ILE A 12 17.182 16.917 8.549 1.00 55.51 C ATOM 173 O ILE A 12 18.286 17.349 8.878 1.00 42.45 O ATOM 174 CB ILE A 12 17.297 14.529 7.833 1.00 14.41 C ATOM 175 CG1 ILE A 12 17.102 13.548 6.675 1.00 34.32 C ATOM 176 CG2 ILE A 12 16.379 14.175 8.995 1.00 41.44 C ATOM 177 CD1 ILE A 12 15.680 13.493 6.163 1.00 61.53 C ATOM 0 H ILE A 12 18.590 15.624 6.003 1.00 23.04 H new ATOM 0 HA ILE A 12 16.015 16.039 6.976 1.00 53.24 H new ATOM 0 HB ILE A 12 18.330 14.457 8.175 1.00 14.41 H new ATOM 0 HG12 ILE A 12 17.764 13.829 5.856 1.00 34.32 H new ATOM 0 HG13 ILE A 12 17.402 12.551 6.999 1.00 34.32 H new ATOM 0 HG21 ILE A 12 16.577 13.153 9.317 1.00 41.44 H new ATOM 0 HG22 ILE A 12 16.562 14.858 9.824 1.00 41.44 H new ATOM 0 HG23 ILE A 12 15.340 14.260 8.677 1.00 41.44 H new ATOM 0 HD11 ILE A 12 15.616 12.778 5.343 1.00 61.53 H new ATOM 0 HD12 ILE A 12 15.015 13.182 6.969 1.00 61.53 H new ATOM 0 HD13 ILE A 12 15.383 14.480 5.808 1.00 61.53 H new ATOM 189 N VAL A 13 16.061 17.234 9.191 1.00 24.01 N ATOM 190 CA VAL A 13 16.067 18.126 10.344 1.00 23.22 C ATOM 191 C VAL A 13 15.582 17.407 11.598 1.00 21.45 C ATOM 192 O VAL A 13 16.136 17.585 12.682 1.00 60.00 O ATOM 193 CB VAL A 13 15.184 19.363 10.101 1.00 15.45 C ATOM 194 CG1 VAL A 13 15.414 20.405 11.185 1.00 53.23 C ATOM 195 CG2 VAL A 13 15.453 19.948 8.722 1.00 24.33 C ATOM 0 H VAL A 13 15.138 16.886 8.932 1.00 24.01 H new ATOM 0 HA VAL A 13 17.098 18.448 10.489 1.00 23.22 H new ATOM 0 HB VAL A 13 14.139 19.055 10.142 1.00 15.45 H new ATOM 0 HG11 VAL A 13 14.781 21.272 10.996 1.00 53.23 H new ATOM 0 HG12 VAL A 13 15.166 19.979 12.157 1.00 53.23 H new ATOM 0 HG13 VAL A 13 16.460 20.711 11.179 1.00 53.23 H new ATOM 0 HG21 VAL A 13 14.820 20.822 8.568 1.00 24.33 H new ATOM 0 HG22 VAL A 13 16.500 20.241 8.649 1.00 24.33 H new ATOM 0 HG23 VAL A 13 15.232 19.200 7.960 1.00 24.33 H new ATOM 205 N ASN A 14 14.544 16.592 11.442 1.00 51.23 N ATOM 206 CA ASN A 14 13.983 15.844 12.561 1.00 14.35 C ATOM 207 C ASN A 14 13.043 14.749 12.068 1.00 2.11 C ATOM 208 O ASN A 14 12.771 14.640 10.873 1.00 1.41 O ATOM 209 CB ASN A 14 13.234 16.787 13.507 1.00 40.40 C ATOM 210 CG ASN A 14 13.199 16.269 14.931 1.00 4.14 C ATOM 211 OD1 ASN A 14 14.020 15.439 15.322 1.00 34.41 O ATOM 212 ND2 ASN A 14 12.245 16.758 15.715 1.00 60.43 N ATOM 0 H ASN A 14 14.074 16.433 10.551 1.00 51.23 H new ATOM 0 HA ASN A 14 14.806 15.375 13.101 1.00 14.35 H new ATOM 0 HB2 ASN A 14 13.711 17.767 13.491 1.00 40.40 H new ATOM 0 HB3 ASN A 14 12.214 16.923 13.148 1.00 40.40 H new ATOM 0 HD21 ASN A 14 12.172 16.447 16.684 1.00 60.43 H new ATOM 0 HD22 ASN A 14 11.586 17.445 15.348 1.00 60.43 H new ATOM 219 N LYS A 15 12.550 13.938 12.998 1.00 33.11 N ATOM 220 CA LYS A 15 11.639 12.851 12.660 1.00 75.00 C ATOM 221 C LYS A 15 10.576 12.677 13.739 1.00 31.33 C ATOM 222 O LYS A 15 10.886 12.343 14.884 1.00 70.24 O ATOM 223 CB LYS A 15 12.415 11.545 12.480 1.00 61.13 C ATOM 224 CG LYS A 15 13.314 11.204 13.655 1.00 23.54 C ATOM 225 CD LYS A 15 14.293 10.096 13.305 1.00 24.34 C ATOM 226 CE LYS A 15 13.600 8.745 13.219 1.00 32.54 C ATOM 227 NZ LYS A 15 14.442 7.652 13.781 1.00 32.20 N ATOM 0 H LYS A 15 12.766 14.013 13.992 1.00 33.11 H new ATOM 0 HA LYS A 15 11.143 13.104 11.723 1.00 75.00 H new ATOM 0 HB2 LYS A 15 11.707 10.730 12.326 1.00 61.13 H new ATOM 0 HB3 LYS A 15 13.022 11.614 11.577 1.00 61.13 H new ATOM 0 HG2 LYS A 15 13.864 12.093 13.963 1.00 23.54 H new ATOM 0 HG3 LYS A 15 12.704 10.897 14.504 1.00 23.54 H new ATOM 0 HD2 LYS A 15 14.773 10.321 12.353 1.00 24.34 H new ATOM 0 HD3 LYS A 15 15.081 10.054 14.057 1.00 24.34 H new ATOM 0 HE2 LYS A 15 12.653 8.788 13.758 1.00 32.54 H new ATOM 0 HE3 LYS A 15 13.365 8.523 12.178 1.00 32.54 H new ATOM 0 HZ1 LYS A 15 13.934 6.748 13.704 1.00 32.20 H new ATOM 0 HZ2 LYS A 15 15.335 7.594 13.251 1.00 32.20 H new ATOM 0 HZ3 LYS A 15 14.646 7.850 14.781 1.00 32.20 H new ATOM 241 N LEU A 16 9.320 12.903 13.369 1.00 21.10 N ATOM 242 CA LEU A 16 8.210 12.769 14.306 1.00 55.13 C ATOM 243 C LEU A 16 7.419 11.494 14.034 1.00 31.21 C ATOM 244 O LEU A 16 6.199 11.530 13.873 1.00 74.12 O ATOM 245 CB LEU A 16 7.287 13.985 14.210 1.00 55.34 C ATOM 246 CG LEU A 16 7.976 15.339 14.035 1.00 4.33 C ATOM 247 CD1 LEU A 16 6.997 16.474 14.295 1.00 2.21 C ATOM 248 CD2 LEU A 16 9.180 15.448 14.960 1.00 22.23 C ATOM 0 H LEU A 16 9.045 13.180 12.427 1.00 21.10 H new ATOM 0 HA LEU A 16 8.622 12.711 15.314 1.00 55.13 H new ATOM 0 HB2 LEU A 16 6.607 13.835 13.371 1.00 55.34 H new ATOM 0 HB3 LEU A 16 6.676 14.025 15.112 1.00 55.34 H new ATOM 0 HG LEU A 16 8.325 15.417 13.005 1.00 4.33 H new ATOM 0 HD11 LEU A 16 7.505 17.430 14.166 1.00 2.21 H new ATOM 0 HD12 LEU A 16 6.167 16.407 13.592 1.00 2.21 H new ATOM 0 HD13 LEU A 16 6.617 16.400 15.314 1.00 2.21 H new ATOM 0 HD21 LEU A 16 9.658 16.418 14.822 1.00 22.23 H new ATOM 0 HD22 LEU A 16 8.854 15.348 15.995 1.00 22.23 H new ATOM 0 HD23 LEU A 16 9.892 14.656 14.726 1.00 22.23 H new ATOM 260 N PHE A 17 8.121 10.366 13.987 1.00 55.54 N ATOM 261 CA PHE A 17 7.484 9.079 13.737 1.00 53.32 C ATOM 262 C PHE A 17 8.343 7.935 14.269 1.00 55.00 C ATOM 263 O PHE A 17 9.532 8.109 14.536 1.00 23.05 O ATOM 264 CB PHE A 17 7.237 8.892 12.238 1.00 24.02 C ATOM 265 CG PHE A 17 8.490 8.625 11.453 1.00 54.50 C ATOM 266 CD1 PHE A 17 9.100 7.382 11.496 1.00 3.12 C ATOM 267 CD2 PHE A 17 9.058 9.618 10.671 1.00 55.21 C ATOM 268 CE1 PHE A 17 10.252 7.133 10.774 1.00 1.54 C ATOM 269 CE2 PHE A 17 10.209 9.376 9.947 1.00 10.51 C ATOM 270 CZ PHE A 17 10.808 8.132 10.000 1.00 54.33 C ATOM 0 H PHE A 17 9.131 10.318 14.119 1.00 55.54 H new ATOM 0 HA PHE A 17 6.528 9.066 14.261 1.00 53.32 H new ATOM 0 HB2 PHE A 17 6.543 8.064 12.093 1.00 24.02 H new ATOM 0 HB3 PHE A 17 6.754 9.786 11.843 1.00 24.02 H new ATOM 0 HD1 PHE A 17 8.670 6.598 12.101 1.00 3.12 H new ATOM 0 HD2 PHE A 17 8.595 10.593 10.627 1.00 55.21 H new ATOM 0 HE1 PHE A 17 10.716 6.159 10.815 1.00 1.54 H new ATOM 0 HE2 PHE A 17 10.640 10.158 9.340 1.00 10.51 H new ATOM 0 HZ PHE A 17 11.710 7.941 9.437 1.00 54.33 H new ATOM 280 N LYS A 18 7.730 6.766 14.422 1.00 43.33 N ATOM 281 CA LYS A 18 8.436 5.593 14.921 1.00 23.32 C ATOM 282 C LYS A 18 8.506 4.504 13.855 1.00 42.12 C ATOM 283 O LYS A 18 7.823 4.578 12.834 1.00 71.35 O ATOM 284 CB LYS A 18 7.742 5.050 16.173 1.00 45.14 C ATOM 285 CG LYS A 18 8.256 5.660 17.465 1.00 21.23 C ATOM 286 CD LYS A 18 9.500 4.943 17.966 1.00 54.12 C ATOM 287 CE LYS A 18 9.284 4.351 19.350 1.00 34.30 C ATOM 288 NZ LYS A 18 10.572 4.020 20.019 1.00 70.45 N ATOM 0 H LYS A 18 6.746 6.606 14.207 1.00 43.33 H new ATOM 0 HA LYS A 18 9.452 5.893 15.176 1.00 23.32 H new ATOM 0 HB2 LYS A 18 6.671 5.236 16.094 1.00 45.14 H new ATOM 0 HB3 LYS A 18 7.876 3.969 16.213 1.00 45.14 H new ATOM 0 HG2 LYS A 18 8.482 6.714 17.306 1.00 21.23 H new ATOM 0 HG3 LYS A 18 7.477 5.613 18.226 1.00 21.23 H new ATOM 0 HD2 LYS A 18 9.770 4.150 17.268 1.00 54.12 H new ATOM 0 HD3 LYS A 18 10.337 5.641 17.994 1.00 54.12 H new ATOM 0 HE2 LYS A 18 8.727 5.058 19.965 1.00 34.30 H new ATOM 0 HE3 LYS A 18 8.675 3.451 19.269 1.00 34.30 H new ATOM 0 HZ1 LYS A 18 10.382 3.619 20.960 1.00 70.45 H new ATOM 0 HZ2 LYS A 18 11.093 3.326 19.446 1.00 70.45 H new ATOM 0 HZ3 LYS A 18 11.143 4.884 20.120 1.00 70.45 H new ATOM 302 N ALA A 19 9.336 3.495 14.098 1.00 22.13 N ATOM 303 CA ALA A 19 9.493 2.391 13.160 1.00 61.21 C ATOM 304 C ALA A 19 8.456 1.302 13.415 1.00 2.53 C ATOM 305 O ALA A 19 8.549 0.560 14.392 1.00 21.22 O ATOM 306 CB ALA A 19 10.898 1.816 13.252 1.00 23.41 C ATOM 0 H ALA A 19 9.910 3.420 14.937 1.00 22.13 H new ATOM 0 HA ALA A 19 9.336 2.777 12.153 1.00 61.21 H new ATOM 0 HB1 ALA A 19 11.001 0.992 12.546 1.00 23.41 H new ATOM 0 HB2 ALA A 19 11.625 2.592 13.013 1.00 23.41 H new ATOM 0 HB3 ALA A 19 11.076 1.451 14.264 1.00 23.41 H new ATOM 312 N GLY A 20 7.467 1.214 12.532 1.00 71.24 N ATOM 313 CA GLY A 20 6.427 0.214 12.680 1.00 75.55 C ATOM 314 C GLY A 20 5.147 0.789 13.254 1.00 34.34 C ATOM 315 O GLY A 20 4.126 0.104 13.322 1.00 52.34 O ATOM 0 H GLY A 20 7.367 1.818 11.716 1.00 71.24 H new ATOM 0 HA2 GLY A 20 6.217 -0.234 11.709 1.00 75.55 H new ATOM 0 HA3 GLY A 20 6.785 -0.585 13.329 1.00 75.55 H new ATOM 319 N ASP A 21 5.201 2.050 13.669 1.00 3.24 N ATOM 320 CA ASP A 21 4.038 2.716 14.242 1.00 53.43 C ATOM 321 C ASP A 21 3.016 3.052 13.159 1.00 23.31 C ATOM 322 O ASP A 21 3.127 2.593 12.022 1.00 5.32 O ATOM 323 CB ASP A 21 4.462 3.993 14.971 1.00 24.03 C ATOM 324 CG ASP A 21 3.968 4.031 16.404 1.00 25.01 C ATOM 325 OD1 ASP A 21 4.601 3.387 17.268 1.00 64.41 O ATOM 326 OD2 ASP A 21 2.951 4.705 16.663 1.00 54.13 O ATOM 0 H ASP A 21 6.038 2.631 13.619 1.00 3.24 H new ATOM 0 HA ASP A 21 3.576 2.035 14.956 1.00 53.43 H new ATOM 0 HB2 ASP A 21 5.549 4.069 14.962 1.00 24.03 H new ATOM 0 HB3 ASP A 21 4.077 4.860 14.434 1.00 24.03 H new ATOM 331 N LYS A 22 2.020 3.853 13.520 1.00 51.31 N ATOM 332 CA LYS A 22 0.978 4.251 12.581 1.00 22.21 C ATOM 333 C LYS A 22 1.098 5.730 12.229 1.00 70.31 C ATOM 334 O LYS A 22 1.784 6.488 12.915 1.00 1.11 O ATOM 335 CB LYS A 22 -0.405 3.966 13.171 1.00 61.44 C ATOM 336 CG LYS A 22 -0.920 2.570 12.867 1.00 74.02 C ATOM 337 CD LYS A 22 -2.414 2.576 12.587 1.00 42.35 C ATOM 338 CE LYS A 22 -3.214 2.920 13.833 1.00 4.41 C ATOM 339 NZ LYS A 22 -4.525 2.215 13.863 1.00 44.14 N ATOM 0 H LYS A 22 1.912 4.240 14.458 1.00 51.31 H new ATOM 0 HA LYS A 22 1.104 3.668 11.669 1.00 22.21 H new ATOM 0 HB2 LYS A 22 -0.365 4.102 14.252 1.00 61.44 H new ATOM 0 HB3 LYS A 22 -1.114 4.698 12.784 1.00 61.44 H new ATOM 0 HG2 LYS A 22 -0.389 2.165 12.006 1.00 74.02 H new ATOM 0 HG3 LYS A 22 -0.709 1.912 13.710 1.00 74.02 H new ATOM 0 HD2 LYS A 22 -2.635 3.298 11.801 1.00 42.35 H new ATOM 0 HD3 LYS A 22 -2.719 1.598 12.216 1.00 42.35 H new ATOM 0 HE2 LYS A 22 -2.638 2.654 14.719 1.00 4.41 H new ATOM 0 HE3 LYS A 22 -3.380 3.997 13.872 1.00 4.41 H new ATOM 0 HZ1 LYS A 22 -5.040 2.476 14.728 1.00 44.14 H new ATOM 0 HZ2 LYS A 22 -5.085 2.488 13.031 1.00 44.14 H new ATOM 0 HZ3 LYS A 22 -4.367 1.187 13.851 1.00 44.14 H new ATOM 353 N VAL A 23 0.423 6.136 11.158 1.00 63.14 N ATOM 354 CA VAL A 23 0.452 7.525 10.716 1.00 5.41 C ATOM 355 C VAL A 23 -0.956 8.099 10.616 1.00 74.32 C ATOM 356 O VAL A 23 -1.942 7.399 10.850 1.00 35.45 O ATOM 357 CB VAL A 23 1.151 7.666 9.352 1.00 62.15 C ATOM 358 CG1 VAL A 23 2.532 7.028 9.389 1.00 15.45 C ATOM 359 CG2 VAL A 23 0.301 7.050 8.251 1.00 24.50 C ATOM 0 H VAL A 23 -0.151 5.522 10.580 1.00 63.14 H new ATOM 0 HA VAL A 23 1.016 8.083 11.463 1.00 5.41 H new ATOM 0 HB VAL A 23 1.273 8.727 9.136 1.00 62.15 H new ATOM 0 HG11 VAL A 23 3.010 7.138 8.416 1.00 15.45 H new ATOM 0 HG12 VAL A 23 3.139 7.519 10.149 1.00 15.45 H new ATOM 0 HG13 VAL A 23 2.437 5.969 9.629 1.00 15.45 H new ATOM 0 HG21 VAL A 23 0.811 7.159 7.294 1.00 24.50 H new ATOM 0 HG22 VAL A 23 0.145 5.992 8.461 1.00 24.50 H new ATOM 0 HG23 VAL A 23 -0.663 7.557 8.209 1.00 24.50 H new ATOM 369 N LYS A 24 -1.045 9.377 10.264 1.00 34.12 N ATOM 370 CA LYS A 24 -2.334 10.047 10.130 1.00 65.33 C ATOM 371 C LYS A 24 -2.411 10.817 8.815 1.00 35.32 C ATOM 372 O LYS A 24 -1.480 10.790 8.012 1.00 0.10 O ATOM 373 CB LYS A 24 -2.561 10.999 11.305 1.00 15.03 C ATOM 374 CG LYS A 24 -3.582 10.492 12.310 1.00 71.31 C ATOM 375 CD LYS A 24 -4.957 11.088 12.056 1.00 53.12 C ATOM 376 CE LYS A 24 -5.773 10.223 11.107 1.00 33.11 C ATOM 377 NZ LYS A 24 -6.150 8.924 11.727 1.00 72.33 N ATOM 0 H LYS A 24 -0.239 9.970 10.066 1.00 34.12 H new ATOM 0 HA LYS A 24 -3.114 9.286 10.132 1.00 65.33 H new ATOM 0 HB2 LYS A 24 -1.612 11.165 11.816 1.00 15.03 H new ATOM 0 HB3 LYS A 24 -2.890 11.965 10.921 1.00 15.03 H new ATOM 0 HG2 LYS A 24 -3.640 9.405 12.255 1.00 71.31 H new ATOM 0 HG3 LYS A 24 -3.256 10.743 13.319 1.00 71.31 H new ATOM 0 HD2 LYS A 24 -5.489 11.194 13.001 1.00 53.12 H new ATOM 0 HD3 LYS A 24 -4.849 12.088 11.637 1.00 53.12 H new ATOM 0 HE2 LYS A 24 -6.675 10.759 10.811 1.00 33.11 H new ATOM 0 HE3 LYS A 24 -5.199 10.039 10.199 1.00 33.11 H new ATOM 0 HZ1 LYS A 24 -6.990 8.542 11.248 1.00 72.33 H new ATOM 0 HZ2 LYS A 24 -5.362 8.252 11.632 1.00 72.33 H new ATOM 0 HZ3 LYS A 24 -6.362 9.069 12.735 1.00 72.33 H new ATOM 391 N LYS A 25 -3.528 11.504 8.604 1.00 72.21 N ATOM 392 CA LYS A 25 -3.729 12.285 7.388 1.00 41.32 C ATOM 393 C LYS A 25 -3.138 13.683 7.537 1.00 42.11 C ATOM 394 O LYS A 25 -3.805 14.603 8.010 1.00 25.42 O ATOM 395 CB LYS A 25 -5.220 12.382 7.059 1.00 24.11 C ATOM 396 CG LYS A 25 -5.729 11.236 6.202 1.00 60.20 C ATOM 397 CD LYS A 25 -5.836 11.638 4.740 1.00 2.34 C ATOM 398 CE LYS A 25 -6.196 10.451 3.861 1.00 62.43 C ATOM 399 NZ LYS A 25 -7.622 10.489 3.434 1.00 33.43 N ATOM 0 H LYS A 25 -4.309 11.536 9.259 1.00 72.21 H new ATOM 0 HA LYS A 25 -3.216 11.777 6.571 1.00 41.32 H new ATOM 0 HB2 LYS A 25 -5.788 12.409 7.989 1.00 24.11 H new ATOM 0 HB3 LYS A 25 -5.409 13.323 6.542 1.00 24.11 H new ATOM 0 HG2 LYS A 25 -5.057 10.383 6.298 1.00 60.20 H new ATOM 0 HG3 LYS A 25 -6.706 10.915 6.565 1.00 60.20 H new ATOM 0 HD2 LYS A 25 -6.591 12.416 4.630 1.00 2.34 H new ATOM 0 HD3 LYS A 25 -4.889 12.064 4.408 1.00 2.34 H new ATOM 0 HE2 LYS A 25 -5.553 10.443 2.981 1.00 62.43 H new ATOM 0 HE3 LYS A 25 -6.004 9.526 4.404 1.00 62.43 H new ATOM 0 HZ1 LYS A 25 -7.828 9.663 2.837 1.00 33.43 H new ATOM 0 HZ2 LYS A 25 -8.236 10.471 4.273 1.00 33.43 H new ATOM 0 HZ3 LYS A 25 -7.800 11.360 2.894 1.00 33.43 H new ATOM 413 N GLY A 26 -1.882 13.837 7.128 1.00 64.15 N ATOM 414 CA GLY A 26 -1.224 15.126 7.222 1.00 2.42 C ATOM 415 C GLY A 26 -0.299 15.218 8.420 1.00 12.44 C ATOM 416 O GLY A 26 0.423 16.202 8.580 1.00 55.40 O ATOM 0 H GLY A 26 -1.309 13.091 6.733 1.00 64.15 H new ATOM 0 HA2 GLY A 26 -0.653 15.306 6.311 1.00 2.42 H new ATOM 0 HA3 GLY A 26 -1.977 15.911 7.287 1.00 2.42 H new ATOM 420 N GLN A 27 -0.321 14.193 9.264 1.00 62.44 N ATOM 421 CA GLN A 27 0.520 14.164 10.454 1.00 64.03 C ATOM 422 C GLN A 27 1.977 14.445 10.098 1.00 74.22 C ATOM 423 O GLN A 27 2.381 14.313 8.942 1.00 4.12 O ATOM 424 CB GLN A 27 0.407 12.807 11.152 1.00 33.05 C ATOM 425 CG GLN A 27 0.127 12.913 12.643 1.00 61.32 C ATOM 426 CD GLN A 27 0.286 11.587 13.361 1.00 24.13 C ATOM 427 OE1 GLN A 27 -0.654 11.083 13.976 1.00 35.05 O ATOM 428 NE2 GLN A 27 1.482 11.013 13.287 1.00 61.41 N ATOM 0 H GLN A 27 -0.913 13.371 9.146 1.00 62.44 H new ATOM 0 HA GLN A 27 0.173 14.944 11.132 1.00 64.03 H new ATOM 0 HB2 GLN A 27 -0.389 12.230 10.681 1.00 33.05 H new ATOM 0 HB3 GLN A 27 1.333 12.252 11.003 1.00 33.05 H new ATOM 0 HG2 GLN A 27 0.803 13.645 13.085 1.00 61.32 H new ATOM 0 HG3 GLN A 27 -0.887 13.284 12.793 1.00 61.32 H new ATOM 0 HE21 GLN A 27 2.233 11.465 12.766 1.00 61.41 H new ATOM 0 HE22 GLN A 27 1.649 10.120 13.751 1.00 61.41 H new ATOM 437 N THR A 28 2.761 14.833 11.099 1.00 13.42 N ATOM 438 CA THR A 28 4.171 15.135 10.891 1.00 1.55 C ATOM 439 C THR A 28 5.035 13.897 11.102 1.00 63.04 C ATOM 440 O THR A 28 4.882 13.181 12.092 1.00 72.24 O ATOM 441 CB THR A 28 4.653 16.250 11.839 1.00 21.11 C ATOM 442 OG1 THR A 28 3.539 17.031 12.283 1.00 74.12 O ATOM 443 CG2 THR A 28 5.666 17.148 11.147 1.00 4.23 C ATOM 0 H THR A 28 2.443 14.945 12.062 1.00 13.42 H new ATOM 0 HA THR A 28 4.272 15.475 9.860 1.00 1.55 H new ATOM 0 HB THR A 28 5.134 15.783 12.699 1.00 21.11 H new ATOM 0 HG1 THR A 28 3.854 17.736 12.886 1.00 74.12 H new ATOM 0 HG21 THR A 28 5.992 17.927 11.836 1.00 4.23 H new ATOM 0 HG22 THR A 28 6.526 16.555 10.837 1.00 4.23 H new ATOM 0 HG23 THR A 28 5.207 17.607 10.271 1.00 4.23 H new ATOM 451 N LEU A 29 5.943 13.649 10.164 1.00 3.52 N ATOM 452 CA LEU A 29 6.833 12.495 10.246 1.00 13.44 C ATOM 453 C LEU A 29 8.280 12.906 9.994 1.00 4.11 C ATOM 454 O LEU A 29 9.163 12.639 10.809 1.00 4.50 O ATOM 455 CB LEU A 29 6.410 11.427 9.237 1.00 2.23 C ATOM 456 CG LEU A 29 4.984 10.894 9.383 1.00 44.24 C ATOM 457 CD1 LEU A 29 3.972 11.974 9.037 1.00 50.55 C ATOM 458 CD2 LEU A 29 4.781 9.669 8.502 1.00 4.40 C ATOM 0 H LEU A 29 6.082 14.231 9.338 1.00 3.52 H new ATOM 0 HA LEU A 29 6.762 12.082 11.252 1.00 13.44 H new ATOM 0 HB2 LEU A 29 6.522 11.839 8.234 1.00 2.23 H new ATOM 0 HB3 LEU A 29 7.100 10.587 9.316 1.00 2.23 H new ATOM 0 HG LEU A 29 4.830 10.601 10.422 1.00 44.24 H new ATOM 0 HD11 LEU A 29 2.963 11.576 9.147 1.00 50.55 H new ATOM 0 HD12 LEU A 29 4.102 12.823 9.708 1.00 50.55 H new ATOM 0 HD13 LEU A 29 4.124 12.299 8.008 1.00 50.55 H new ATOM 0 HD21 LEU A 29 3.761 9.302 8.618 1.00 4.40 H new ATOM 0 HD22 LEU A 29 4.954 9.938 7.460 1.00 4.40 H new ATOM 0 HD23 LEU A 29 5.483 8.889 8.797 1.00 4.40 H new ATOM 470 N PHE A 30 8.516 13.558 8.860 1.00 43.12 N ATOM 471 CA PHE A 30 9.856 14.006 8.501 1.00 43.22 C ATOM 472 C PHE A 30 9.898 15.523 8.339 1.00 74.43 C ATOM 473 O PHE A 30 8.862 16.167 8.161 1.00 61.11 O ATOM 474 CB PHE A 30 10.313 13.331 7.206 1.00 73.54 C ATOM 475 CG PHE A 30 11.120 12.084 7.432 1.00 50.11 C ATOM 476 CD1 PHE A 30 12.208 12.094 8.289 1.00 62.00 C ATOM 477 CD2 PHE A 30 10.790 10.904 6.786 1.00 44.03 C ATOM 478 CE1 PHE A 30 12.953 10.948 8.499 1.00 11.22 C ATOM 479 CE2 PHE A 30 11.531 9.755 6.992 1.00 33.33 C ATOM 480 CZ PHE A 30 12.614 9.778 7.850 1.00 61.15 C ATOM 0 H PHE A 30 7.797 13.788 8.174 1.00 43.12 H new ATOM 0 HA PHE A 30 10.533 13.726 9.308 1.00 43.22 H new ATOM 0 HB2 PHE A 30 9.437 13.084 6.606 1.00 73.54 H new ATOM 0 HB3 PHE A 30 10.907 14.038 6.627 1.00 73.54 H new ATOM 0 HD1 PHE A 30 12.478 13.007 8.799 1.00 62.00 H new ATOM 0 HD2 PHE A 30 9.945 10.881 6.114 1.00 44.03 H new ATOM 0 HE1 PHE A 30 13.799 10.968 9.170 1.00 11.22 H new ATOM 0 HE2 PHE A 30 11.264 8.841 6.483 1.00 33.33 H new ATOM 0 HZ PHE A 30 13.194 8.882 8.013 1.00 61.15 H new ATOM 490 N ILE A 31 11.098 16.086 8.402 1.00 4.43 N ATOM 491 CA ILE A 31 11.275 17.526 8.262 1.00 41.21 C ATOM 492 C ILE A 31 12.632 17.857 7.652 1.00 43.52 C ATOM 493 O ILE A 31 13.669 17.711 8.302 1.00 74.25 O ATOM 494 CB ILE A 31 11.146 18.244 9.619 1.00 54.15 C ATOM 495 CG1 ILE A 31 9.893 17.765 10.355 1.00 12.24 C ATOM 496 CG2 ILE A 31 11.105 19.752 9.419 1.00 65.35 C ATOM 497 CD1 ILE A 31 9.615 18.528 11.632 1.00 31.02 C ATOM 0 H ILE A 31 11.964 15.567 8.549 1.00 4.43 H new ATOM 0 HA ILE A 31 10.486 17.877 7.598 1.00 41.21 H new ATOM 0 HB ILE A 31 12.018 18.002 10.227 1.00 54.15 H new ATOM 0 HG12 ILE A 31 9.033 17.858 9.691 1.00 12.24 H new ATOM 0 HG13 ILE A 31 10.002 16.706 10.590 1.00 12.24 H new ATOM 0 HG21 ILE A 31 11.014 20.245 10.387 1.00 65.35 H new ATOM 0 HG22 ILE A 31 12.023 20.079 8.930 1.00 65.35 H new ATOM 0 HG23 ILE A 31 10.249 20.013 8.797 1.00 65.35 H new ATOM 0 HD11 ILE A 31 8.713 18.136 12.101 1.00 31.02 H new ATOM 0 HD12 ILE A 31 10.457 18.415 12.314 1.00 31.02 H new ATOM 0 HD13 ILE A 31 9.474 19.584 11.402 1.00 31.02 H new ATOM 509 N ILE A 32 12.620 18.306 6.401 1.00 72.41 N ATOM 510 CA ILE A 32 13.849 18.660 5.704 1.00 44.10 C ATOM 511 C ILE A 32 13.829 20.119 5.259 1.00 31.53 C ATOM 512 O ILE A 32 12.787 20.642 4.866 1.00 22.10 O ATOM 513 CB ILE A 32 14.079 17.763 4.474 1.00 61.35 C ATOM 514 CG1 ILE A 32 14.556 16.375 4.909 1.00 11.11 C ATOM 515 CG2 ILE A 32 15.086 18.403 3.531 1.00 41.42 C ATOM 516 CD1 ILE A 32 13.735 15.245 4.328 1.00 23.03 C ATOM 0 H ILE A 32 11.771 18.433 5.850 1.00 72.41 H new ATOM 0 HA ILE A 32 14.665 18.509 6.410 1.00 44.10 H new ATOM 0 HB ILE A 32 13.134 17.652 3.943 1.00 61.35 H new ATOM 0 HG12 ILE A 32 15.597 16.248 4.611 1.00 11.11 H new ATOM 0 HG13 ILE A 32 14.526 16.314 5.997 1.00 11.11 H new ATOM 0 HG21 ILE A 32 15.237 17.756 2.667 1.00 41.42 H new ATOM 0 HG22 ILE A 32 14.709 19.370 3.199 1.00 41.42 H new ATOM 0 HG23 ILE A 32 16.034 18.542 4.051 1.00 41.42 H new ATOM 0 HD11 ILE A 32 14.129 14.291 4.678 1.00 23.03 H new ATOM 0 HD12 ILE A 32 12.698 15.348 4.647 1.00 23.03 H new ATOM 0 HD13 ILE A 32 13.786 15.281 3.240 1.00 23.03 H new ATOM 528 N GLU A 33 14.987 20.767 5.323 1.00 52.41 N ATOM 529 CA GLU A 33 15.100 22.166 4.925 1.00 42.11 C ATOM 530 C GLU A 33 15.830 22.294 3.591 1.00 41.24 C ATOM 531 O GLU A 33 16.638 21.439 3.230 1.00 71.02 O ATOM 532 CB GLU A 33 15.836 22.968 6.001 1.00 44.14 C ATOM 533 CG GLU A 33 17.348 22.946 5.848 1.00 40.52 C ATOM 534 CD GLU A 33 18.069 23.338 7.123 1.00 31.03 C ATOM 535 OE1 GLU A 33 18.101 24.546 7.440 1.00 60.44 O ATOM 536 OE2 GLU A 33 18.601 22.436 7.805 1.00 12.31 O ATOM 0 H GLU A 33 15.859 20.347 5.646 1.00 52.41 H new ATOM 0 HA GLU A 33 14.093 22.567 4.809 1.00 42.11 H new ATOM 0 HB2 GLU A 33 15.491 24.002 5.972 1.00 44.14 H new ATOM 0 HB3 GLU A 33 15.573 22.572 6.982 1.00 44.14 H new ATOM 0 HG2 GLU A 33 17.665 21.947 5.548 1.00 40.52 H new ATOM 0 HG3 GLU A 33 17.638 23.626 5.047 1.00 40.52 H new ATOM 543 N GLN A 34 15.539 23.369 2.865 1.00 21.32 N ATOM 544 CA GLN A 34 16.167 23.608 1.571 1.00 13.42 C ATOM 545 C GLN A 34 17.126 24.793 1.641 1.00 30.44 C ATOM 546 O GLN A 34 17.148 25.527 2.629 1.00 3.42 O ATOM 547 CB GLN A 34 15.102 23.864 0.503 1.00 71.22 C ATOM 548 CG GLN A 34 14.372 22.606 0.058 1.00 13.45 C ATOM 549 CD GLN A 34 13.080 22.381 0.819 1.00 1.15 C ATOM 550 OE1 GLN A 34 13.145 21.565 1.866 1.00 4.10 O flip ATOM 551 NE2 GLN A 34 12.036 22.934 0.472 1.00 71.12 N flip ATOM 0 H GLN A 34 14.873 24.087 3.151 1.00 21.32 H new ATOM 0 HA GLN A 34 16.736 22.718 1.303 1.00 13.42 H new ATOM 0 HB2 GLN A 34 14.375 24.578 0.890 1.00 71.22 H new ATOM 0 HB3 GLN A 34 15.573 24.327 -0.364 1.00 71.22 H new ATOM 0 HG2 GLN A 34 14.154 22.675 -1.008 1.00 13.45 H new ATOM 0 HG3 GLN A 34 15.025 21.744 0.195 1.00 13.45 H new ATOM 0 HE21 GLN A 34 12.032 23.553 -0.339 1.00 71.12 H new ATOM 0 HE22 GLN A 34 11.175 22.773 0.995 1.00 71.12 H new ATOM 560 N ASP A 35 17.917 24.970 0.590 1.00 55.43 N ATOM 561 CA ASP A 35 18.878 26.065 0.532 1.00 51.45 C ATOM 562 C ASP A 35 19.683 26.014 -0.763 1.00 52.43 C ATOM 563 O ASP A 35 20.852 26.400 -0.794 1.00 34.05 O ATOM 564 CB ASP A 35 19.821 26.009 1.735 1.00 73.51 C ATOM 565 CG ASP A 35 19.965 27.353 2.421 1.00 63.22 C ATOM 566 OD1 ASP A 35 20.374 28.322 1.747 1.00 21.33 O ATOM 567 OD2 ASP A 35 19.670 27.435 3.631 1.00 13.20 O ATOM 0 H ASP A 35 17.912 24.369 -0.234 1.00 55.43 H new ATOM 0 HA ASP A 35 18.324 27.003 0.558 1.00 51.45 H new ATOM 0 HB2 ASP A 35 19.448 25.277 2.451 1.00 73.51 H new ATOM 0 HB3 ASP A 35 20.802 25.664 1.408 1.00 73.51 H new ATOM 572 N GLN A 36 19.050 25.534 -1.828 1.00 53.24 N ATOM 573 CA GLN A 36 19.708 25.432 -3.125 1.00 43.14 C ATOM 574 C GLN A 36 19.728 26.782 -3.835 1.00 43.24 C ATOM 575 O GLN A 36 20.393 26.947 -4.857 1.00 53.23 O ATOM 576 CB GLN A 36 19.002 24.393 -3.999 1.00 50.44 C ATOM 577 CG GLN A 36 18.583 23.145 -3.241 1.00 35.52 C ATOM 578 CD GLN A 36 17.851 22.147 -4.117 1.00 42.35 C ATOM 579 OE1 GLN A 36 18.420 21.602 -5.065 1.00 1.21 O ATOM 580 NE2 GLN A 36 16.584 21.903 -3.807 1.00 21.24 N ATOM 0 H GLN A 36 18.083 25.210 -1.819 1.00 53.24 H new ATOM 0 HA GLN A 36 20.738 25.116 -2.957 1.00 43.14 H new ATOM 0 HB2 GLN A 36 18.120 24.848 -4.449 1.00 50.44 H new ATOM 0 HB3 GLN A 36 19.665 24.107 -4.816 1.00 50.44 H new ATOM 0 HG2 GLN A 36 19.467 22.669 -2.816 1.00 35.52 H new ATOM 0 HG3 GLN A 36 17.941 23.430 -2.407 1.00 35.52 H new ATOM 0 HE21 GLN A 36 16.153 22.377 -3.013 1.00 21.24 H new ATOM 0 HE22 GLN A 36 16.041 21.242 -4.362 1.00 21.24 H new ATOM 589 N ALA A 37 18.995 27.745 -3.285 1.00 22.41 N ATOM 590 CA ALA A 37 18.930 29.080 -3.864 1.00 52.31 C ATOM 591 C ALA A 37 20.325 29.613 -4.173 1.00 13.21 C ATOM 592 O ALA A 37 20.555 30.199 -5.230 1.00 44.31 O ATOM 593 CB ALA A 37 18.196 30.026 -2.927 1.00 14.53 C ATOM 0 H ALA A 37 18.438 27.625 -2.439 1.00 22.41 H new ATOM 0 HA ALA A 37 18.379 29.016 -4.802 1.00 52.31 H new ATOM 0 HB1 ALA A 37 18.155 31.020 -3.372 1.00 14.53 H new ATOM 0 HB2 ALA A 37 17.183 29.660 -2.761 1.00 14.53 H new ATOM 0 HB3 ALA A 37 18.724 30.077 -1.975 1.00 14.53 H new ATOM 599 N SER A 38 21.250 29.408 -3.242 1.00 5.44 N ATOM 600 CA SER A 38 22.623 29.873 -3.412 1.00 74.25 C ATOM 601 C SER A 38 23.470 29.523 -2.193 1.00 33.12 C ATOM 602 O SER A 38 23.041 28.770 -1.319 1.00 2.20 O ATOM 603 CB SER A 38 22.646 31.384 -3.646 1.00 75.15 C ATOM 604 OG SER A 38 23.325 31.703 -4.849 1.00 2.42 O ATOM 0 H SER A 38 21.075 28.923 -2.362 1.00 5.44 H new ATOM 0 HA SER A 38 23.046 29.371 -4.282 1.00 74.25 H new ATOM 0 HB2 SER A 38 21.625 31.764 -3.689 1.00 75.15 H new ATOM 0 HB3 SER A 38 23.135 31.878 -2.806 1.00 75.15 H new ATOM 0 HG SER A 38 23.325 32.675 -4.977 1.00 2.42 H new ATOM 610 N LYS A 39 24.677 30.076 -2.141 1.00 20.10 N ATOM 611 CA LYS A 39 25.588 29.825 -1.030 1.00 74.11 C ATOM 612 C LYS A 39 25.526 30.957 -0.010 1.00 35.01 C ATOM 613 O LYS A 39 25.223 30.733 1.162 1.00 11.45 O ATOM 614 CB LYS A 39 27.020 29.664 -1.544 1.00 32.04 C ATOM 615 CG LYS A 39 27.136 28.741 -2.744 1.00 32.44 C ATOM 616 CD LYS A 39 26.207 27.545 -2.619 1.00 60.35 C ATOM 617 CE LYS A 39 26.707 26.363 -3.436 1.00 55.42 C ATOM 618 NZ LYS A 39 25.678 25.294 -3.553 1.00 23.25 N ATOM 0 H LYS A 39 25.048 30.702 -2.856 1.00 20.10 H new ATOM 0 HA LYS A 39 25.279 28.901 -0.540 1.00 74.11 H new ATOM 0 HB2 LYS A 39 27.413 30.645 -1.811 1.00 32.04 H new ATOM 0 HB3 LYS A 39 27.645 29.279 -0.738 1.00 32.04 H new ATOM 0 HG2 LYS A 39 26.899 29.293 -3.653 1.00 32.44 H new ATOM 0 HG3 LYS A 39 28.165 28.395 -2.840 1.00 32.44 H new ATOM 0 HD2 LYS A 39 26.124 27.255 -1.571 1.00 60.35 H new ATOM 0 HD3 LYS A 39 25.207 27.823 -2.953 1.00 60.35 H new ATOM 0 HE2 LYS A 39 26.991 26.704 -4.432 1.00 55.42 H new ATOM 0 HE3 LYS A 39 27.604 25.954 -2.971 1.00 55.42 H new ATOM 0 HZ1 LYS A 39 26.058 24.507 -4.117 1.00 23.25 H new ATOM 0 HZ2 LYS A 39 25.425 24.950 -2.605 1.00 23.25 H new ATOM 0 HZ3 LYS A 39 24.831 25.677 -4.020 1.00 23.25 H new ATOM 632 N ASP A 40 25.812 32.173 -0.464 1.00 25.23 N ATOM 633 CA ASP A 40 25.787 33.340 0.409 1.00 53.43 C ATOM 634 C ASP A 40 24.432 34.038 0.343 1.00 34.54 C ATOM 635 O ASP A 40 24.353 35.267 0.355 1.00 3.20 O ATOM 636 CB ASP A 40 26.897 34.319 0.020 1.00 24.33 C ATOM 637 CG ASP A 40 27.413 35.109 1.206 1.00 51.13 C ATOM 638 OD1 ASP A 40 26.582 35.590 2.004 1.00 32.45 O ATOM 639 OD2 ASP A 40 28.648 35.250 1.334 1.00 34.44 O ATOM 0 H ASP A 40 26.064 32.375 -1.432 1.00 25.23 H new ATOM 0 HA ASP A 40 25.953 33.002 1.432 1.00 53.43 H new ATOM 0 HB2 ASP A 40 27.722 33.768 -0.432 1.00 24.33 H new ATOM 0 HB3 ASP A 40 26.521 35.008 -0.736 1.00 24.33 H new ATOM 644 N PHE A 41 23.367 33.246 0.274 1.00 72.34 N ATOM 645 CA PHE A 41 22.015 33.787 0.205 1.00 72.30 C ATOM 646 C PHE A 41 21.049 32.945 1.033 1.00 32.21 C ATOM 647 O PHE A 41 20.398 32.038 0.514 1.00 15.43 O ATOM 648 CB PHE A 41 21.540 33.847 -1.249 1.00 3.43 C ATOM 649 CG PHE A 41 22.127 34.991 -2.024 1.00 54.33 C ATOM 650 CD1 PHE A 41 23.322 34.842 -2.710 1.00 24.43 C ATOM 651 CD2 PHE A 41 21.484 36.218 -2.067 1.00 74.03 C ATOM 652 CE1 PHE A 41 23.864 35.893 -3.424 1.00 53.13 C ATOM 653 CE2 PHE A 41 22.021 37.273 -2.781 1.00 71.11 C ATOM 654 CZ PHE A 41 23.213 37.110 -3.459 1.00 14.10 C ATOM 0 H PHE A 41 23.414 32.227 0.264 1.00 72.34 H new ATOM 0 HA PHE A 41 22.033 34.796 0.616 1.00 72.30 H new ATOM 0 HB2 PHE A 41 21.798 32.912 -1.746 1.00 3.43 H new ATOM 0 HB3 PHE A 41 20.453 33.928 -1.265 1.00 3.43 H new ATOM 0 HD1 PHE A 41 23.836 33.892 -2.686 1.00 24.43 H new ATOM 0 HD2 PHE A 41 20.553 36.351 -1.537 1.00 74.03 H new ATOM 0 HE1 PHE A 41 24.796 35.763 -3.954 1.00 53.13 H new ATOM 0 HE2 PHE A 41 21.509 38.223 -2.809 1.00 71.11 H new ATOM 0 HZ PHE A 41 23.635 37.933 -4.016 1.00 14.10 H new ATOM 664 N ASN A 42 20.962 33.250 2.323 1.00 41.41 N ATOM 665 CA ASN A 42 20.077 32.522 3.224 1.00 51.02 C ATOM 666 C ASN A 42 20.205 33.044 4.652 1.00 53.22 C ATOM 667 O ASN A 42 21.062 33.878 4.945 1.00 23.44 O ATOM 668 CB ASN A 42 20.396 31.026 3.186 1.00 61.33 C ATOM 669 CG ASN A 42 21.050 30.540 4.466 1.00 54.42 C ATOM 670 OD1 ASN A 42 20.557 29.619 5.117 1.00 55.33 O ATOM 671 ND2 ASN A 42 22.165 31.161 4.832 1.00 14.23 N ATOM 0 H ASN A 42 21.494 33.997 2.768 1.00 41.41 H new ATOM 0 HA ASN A 42 19.051 32.677 2.890 1.00 51.02 H new ATOM 0 HB2 ASN A 42 19.477 30.466 3.016 1.00 61.33 H new ATOM 0 HB3 ASN A 42 21.056 30.819 2.343 1.00 61.33 H new ATOM 0 HD22 ASN A 42 22.537 31.920 4.261 1.00 14.23 H new ATOM 677 N ARG A 43 19.347 32.547 5.537 1.00 55.01 N ATOM 678 CA ARG A 43 19.362 32.964 6.934 1.00 64.11 C ATOM 679 C ARG A 43 19.322 31.754 7.862 1.00 23.41 C ATOM 680 O ARG A 43 18.292 31.456 8.468 1.00 51.10 O ATOM 681 CB ARG A 43 18.176 33.884 7.227 1.00 52.34 C ATOM 682 CG ARG A 43 18.538 35.360 7.232 1.00 63.11 C ATOM 683 CD ARG A 43 17.842 36.108 6.106 1.00 45.53 C ATOM 684 NE ARG A 43 18.054 37.550 6.193 1.00 2.44 N ATOM 685 CZ ARG A 43 17.550 38.422 5.326 1.00 61.13 C ATOM 686 NH1 ARG A 43 16.809 37.998 4.312 1.00 70.01 N ATOM 687 NH2 ARG A 43 17.788 39.719 5.473 1.00 61.14 N ATOM 0 H ARG A 43 18.633 31.855 5.311 1.00 55.01 H new ATOM 0 HA ARG A 43 20.289 33.509 7.115 1.00 64.11 H new ATOM 0 HB2 ARG A 43 17.400 33.711 6.481 1.00 52.34 H new ATOM 0 HB3 ARG A 43 17.752 33.619 8.196 1.00 52.34 H new ATOM 0 HG2 ARG A 43 18.260 35.801 8.189 1.00 63.11 H new ATOM 0 HG3 ARG A 43 19.618 35.471 7.131 1.00 63.11 H new ATOM 0 HD2 ARG A 43 18.211 35.745 5.147 1.00 45.53 H new ATOM 0 HD3 ARG A 43 16.773 35.896 6.137 1.00 45.53 H new ATOM 0 HE ARG A 43 18.620 37.908 6.962 1.00 2.44 H new ATOM 0 HH11 ARG A 43 16.625 37.001 4.196 1.00 70.01 H new ATOM 0 HH12 ARG A 43 16.423 38.668 3.647 1.00 70.01 H new ATOM 0 HH21 ARG A 43 18.358 40.048 6.252 1.00 61.14 H new ATOM 0 HH22 ARG A 43 17.401 40.387 4.807 1.00 61.14 H new ATOM 701 N SER A 44 20.450 31.058 7.970 1.00 71.25 N ATOM 702 CA SER A 44 20.542 29.877 8.820 1.00 11.31 C ATOM 703 C SER A 44 21.386 30.165 10.058 1.00 1.24 C ATOM 704 O SER A 44 22.433 29.551 10.268 1.00 51.55 O ATOM 705 CB SER A 44 21.144 28.706 8.041 1.00 13.30 C ATOM 706 OG SER A 44 21.103 27.512 8.802 1.00 11.45 O ATOM 0 H SER A 44 21.313 31.292 7.479 1.00 71.25 H new ATOM 0 HA SER A 44 19.535 29.611 9.140 1.00 11.31 H new ATOM 0 HB2 SER A 44 20.597 28.566 7.109 1.00 13.30 H new ATOM 0 HB3 SER A 44 22.176 28.935 7.774 1.00 13.30 H new ATOM 0 HG SER A 44 21.666 27.612 9.598 1.00 11.45 H new ATOM 712 N LYS A 45 20.923 31.104 10.877 1.00 52.44 N ATOM 713 CA LYS A 45 21.632 31.475 12.096 1.00 24.33 C ATOM 714 C LYS A 45 22.033 30.235 12.890 1.00 11.23 C ATOM 715 O LYS A 45 23.209 30.033 13.191 1.00 3.21 O ATOM 716 CB LYS A 45 20.759 32.388 12.961 1.00 61.24 C ATOM 717 CG LYS A 45 19.287 32.015 12.944 1.00 25.22 C ATOM 718 CD LYS A 45 18.434 33.141 12.384 1.00 32.10 C ATOM 719 CE LYS A 45 17.944 32.823 10.979 1.00 13.14 C ATOM 720 NZ LYS A 45 16.853 33.742 10.552 1.00 10.50 N ATOM 0 H LYS A 45 20.059 31.622 10.718 1.00 52.44 H new ATOM 0 HA LYS A 45 22.537 32.012 11.812 1.00 24.33 H new ATOM 0 HB2 LYS A 45 21.121 32.357 13.988 1.00 61.24 H new ATOM 0 HB3 LYS A 45 20.869 33.416 12.616 1.00 61.24 H new ATOM 0 HG2 LYS A 45 19.145 31.116 12.344 1.00 25.22 H new ATOM 0 HG3 LYS A 45 18.959 31.777 13.956 1.00 25.22 H new ATOM 0 HD2 LYS A 45 17.579 33.312 13.039 1.00 32.10 H new ATOM 0 HD3 LYS A 45 19.013 34.064 12.368 1.00 32.10 H new ATOM 0 HE2 LYS A 45 18.776 32.897 10.279 1.00 13.14 H new ATOM 0 HE3 LYS A 45 17.587 31.794 10.943 1.00 13.14 H new ATOM 0 HZ1 LYS A 45 16.280 33.282 9.816 1.00 10.50 H new ATOM 0 HZ2 LYS A 45 16.250 33.968 11.369 1.00 10.50 H new ATOM 0 HZ3 LYS A 45 17.266 34.618 10.173 1.00 10.50 H new ATOM 734 N ALA A 46 21.048 29.408 13.225 1.00 13.35 N ATOM 735 CA ALA A 46 21.300 28.188 13.982 1.00 74.35 C ATOM 736 C ALA A 46 20.026 27.363 14.132 1.00 52.13 C ATOM 737 O ALA A 46 18.960 27.757 13.657 1.00 34.53 O ATOM 738 CB ALA A 46 21.877 28.523 15.349 1.00 42.51 C ATOM 0 H ALA A 46 20.069 29.561 12.984 1.00 13.35 H new ATOM 0 HA ALA A 46 22.027 27.592 13.430 1.00 74.35 H new ATOM 0 HB1 ALA A 46 22.060 27.602 15.902 1.00 42.51 H new ATOM 0 HB2 ALA A 46 22.815 29.064 15.225 1.00 42.51 H new ATOM 0 HB3 ALA A 46 21.170 29.143 15.900 1.00 42.51 H new ATOM 744 N LEU A 47 20.143 26.216 14.792 1.00 45.43 N ATOM 745 CA LEU A 47 19.001 25.335 15.004 1.00 63.35 C ATOM 746 C LEU A 47 18.980 24.804 16.434 1.00 54.31 C ATOM 747 O LEU A 47 19.671 23.838 16.759 1.00 12.11 O ATOM 748 CB LEU A 47 19.042 24.168 14.015 1.00 4.02 C ATOM 749 CG LEU A 47 19.272 24.538 12.550 1.00 53.03 C ATOM 750 CD1 LEU A 47 20.640 24.062 12.087 1.00 4.53 C ATOM 751 CD2 LEU A 47 18.177 23.949 11.673 1.00 52.22 C ATOM 0 H LEU A 47 21.018 25.875 15.190 1.00 45.43 H new ATOM 0 HA LEU A 47 18.092 25.913 14.838 1.00 63.35 H new ATOM 0 HB2 LEU A 47 19.832 23.483 14.324 1.00 4.02 H new ATOM 0 HB3 LEU A 47 18.101 23.623 14.088 1.00 4.02 H new ATOM 0 HG LEU A 47 19.238 25.624 12.461 1.00 53.03 H new ATOM 0 HD11 LEU A 47 20.785 24.335 11.042 1.00 4.53 H new ATOM 0 HD12 LEU A 47 21.413 24.531 12.695 1.00 4.53 H new ATOM 0 HD13 LEU A 47 20.703 22.979 12.192 1.00 4.53 H new ATOM 0 HD21 LEU A 47 18.357 24.223 10.633 1.00 52.22 H new ATOM 0 HD22 LEU A 47 18.179 22.863 11.768 1.00 52.22 H new ATOM 0 HD23 LEU A 47 17.209 24.339 11.988 1.00 52.22 H new ATOM 763 N PHE A 48 18.182 25.441 17.284 1.00 41.21 N ATOM 764 CA PHE A 48 18.070 25.033 18.679 1.00 24.54 C ATOM 765 C PHE A 48 19.433 24.644 19.244 1.00 63.14 C ATOM 766 O PHE A 48 19.552 23.680 20.000 1.00 54.55 O ATOM 767 CB PHE A 48 17.097 23.859 18.812 1.00 14.52 C ATOM 768 CG PHE A 48 17.407 22.715 17.890 1.00 12.35 C ATOM 769 CD1 PHE A 48 18.261 21.699 18.289 1.00 64.04 C ATOM 770 CD2 PHE A 48 16.845 22.655 16.625 1.00 12.40 C ATOM 771 CE1 PHE A 48 18.549 20.646 17.442 1.00 3.30 C ATOM 772 CE2 PHE A 48 17.130 21.604 15.774 1.00 31.24 C ATOM 773 CZ PHE A 48 17.981 20.598 16.183 1.00 64.10 C ATOM 0 H PHE A 48 17.603 26.242 17.031 1.00 41.21 H new ATOM 0 HA PHE A 48 17.688 25.880 19.249 1.00 24.54 H new ATOM 0 HB2 PHE A 48 17.112 23.500 19.841 1.00 14.52 H new ATOM 0 HB3 PHE A 48 16.085 24.212 18.612 1.00 14.52 H new ATOM 0 HD1 PHE A 48 18.706 21.731 19.272 1.00 64.04 H new ATOM 0 HD2 PHE A 48 16.176 23.439 16.300 1.00 12.40 H new ATOM 0 HE1 PHE A 48 19.217 19.861 17.764 1.00 3.30 H new ATOM 0 HE2 PHE A 48 16.687 21.570 14.790 1.00 31.24 H new ATOM 0 HZ PHE A 48 18.203 19.774 15.520 1.00 64.10 H new ATOM 783 N SER A 49 20.459 25.402 18.869 1.00 43.20 N ATOM 784 CA SER A 49 21.815 25.135 19.334 1.00 44.53 C ATOM 785 C SER A 49 22.123 25.929 20.600 1.00 33.40 C ATOM 786 O SER A 49 22.172 25.373 21.697 1.00 42.13 O ATOM 787 CB SER A 49 22.829 25.483 18.242 1.00 41.30 C ATOM 788 OG SER A 49 23.074 24.369 17.400 1.00 53.44 O ATOM 0 H SER A 49 20.377 26.205 18.245 1.00 43.20 H new ATOM 0 HA SER A 49 21.890 24.072 19.565 1.00 44.53 H new ATOM 0 HB2 SER A 49 22.456 26.317 17.648 1.00 41.30 H new ATOM 0 HB3 SER A 49 23.763 25.810 18.699 1.00 41.30 H new ATOM 0 HG SER A 49 23.724 24.617 16.710 1.00 53.44 H new ATOM 794 N GLN A 50 22.327 27.233 20.438 1.00 2.15 N ATOM 795 CA GLN A 50 22.630 28.104 21.567 1.00 35.23 C ATOM 796 C GLN A 50 21.615 29.238 21.668 1.00 30.52 C ATOM 797 O GLN A 50 21.547 30.102 20.795 1.00 54.44 O ATOM 798 CB GLN A 50 24.041 28.677 21.432 1.00 41.50 C ATOM 799 CG GLN A 50 24.899 28.484 22.672 1.00 22.34 C ATOM 800 CD GLN A 50 26.365 28.282 22.343 1.00 13.11 C ATOM 801 OE1 GLN A 50 26.742 27.291 21.718 1.00 72.33 O ATOM 802 NE2 GLN A 50 27.201 29.224 22.764 1.00 54.13 N ATOM 0 H GLN A 50 22.288 27.709 19.537 1.00 2.15 H new ATOM 0 HA GLN A 50 22.573 27.508 22.478 1.00 35.23 H new ATOM 0 HB2 GLN A 50 24.535 28.206 20.582 1.00 41.50 H new ATOM 0 HB3 GLN A 50 23.972 29.742 21.211 1.00 41.50 H new ATOM 0 HG2 GLN A 50 24.793 29.353 23.321 1.00 22.34 H new ATOM 0 HG3 GLN A 50 24.534 27.622 23.231 1.00 22.34 H new ATOM 0 HE21 GLN A 50 26.845 30.029 23.279 1.00 54.13 H new ATOM 0 HE22 GLN A 50 28.200 29.142 22.572 1.00 54.13 H new ATOM 811 N SER A 51 20.827 29.227 22.739 1.00 60.04 N ATOM 812 CA SER A 51 19.812 30.252 22.951 1.00 14.03 C ATOM 813 C SER A 51 18.854 30.322 21.766 1.00 41.42 C ATOM 814 O SER A 51 18.247 31.360 21.505 1.00 51.12 O ATOM 815 CB SER A 51 20.471 31.615 23.170 1.00 22.25 C ATOM 816 OG SER A 51 19.631 32.472 23.924 1.00 43.21 O ATOM 0 H SER A 51 20.872 28.520 23.473 1.00 60.04 H new ATOM 0 HA SER A 51 19.242 29.985 23.841 1.00 14.03 H new ATOM 0 HB2 SER A 51 21.421 31.484 23.688 1.00 22.25 H new ATOM 0 HB3 SER A 51 20.694 32.074 22.207 1.00 22.25 H new ATOM 0 HG SER A 51 18.758 32.543 23.485 1.00 43.21 H new ATOM 822 N ALA A 52 18.725 29.210 21.050 1.00 62.13 N ATOM 823 CA ALA A 52 17.841 29.143 19.894 1.00 64.04 C ATOM 824 C ALA A 52 16.561 28.385 20.224 1.00 72.42 C ATOM 825 O ALA A 52 15.526 28.587 19.588 1.00 54.41 O ATOM 826 CB ALA A 52 18.556 28.490 18.719 1.00 33.25 C ATOM 0 H ALA A 52 19.222 28.342 21.251 1.00 62.13 H new ATOM 0 HA ALA A 52 17.568 30.161 19.618 1.00 64.04 H new ATOM 0 HB1 ALA A 52 17.883 28.447 17.862 1.00 33.25 H new ATOM 0 HB2 ALA A 52 19.438 29.075 18.459 1.00 33.25 H new ATOM 0 HB3 ALA A 52 18.859 27.480 18.994 1.00 33.25 H new ATOM 832 N ILE A 53 16.637 27.510 21.222 1.00 72.04 N ATOM 833 CA ILE A 53 15.484 26.722 21.637 1.00 52.04 C ATOM 834 C ILE A 53 14.715 26.195 20.429 1.00 50.31 C ATOM 835 O ILE A 53 15.221 26.203 19.307 1.00 54.02 O ATOM 836 CB ILE A 53 14.528 27.544 22.521 1.00 61.01 C ATOM 837 CG1 ILE A 53 13.837 28.628 21.691 1.00 54.13 C ATOM 838 CG2 ILE A 53 15.286 28.163 23.685 1.00 15.13 C ATOM 839 CD1 ILE A 53 12.711 29.324 22.424 1.00 13.43 C ATOM 0 H ILE A 53 17.486 27.329 21.758 1.00 72.04 H new ATOM 0 HA ILE A 53 15.868 25.882 22.216 1.00 52.04 H new ATOM 0 HB ILE A 53 13.764 26.878 22.923 1.00 61.01 H new ATOM 0 HG12 ILE A 53 14.576 29.370 21.389 1.00 54.13 H new ATOM 0 HG13 ILE A 53 13.444 28.180 20.778 1.00 54.13 H new ATOM 0 HG21 ILE A 53 14.597 28.741 24.301 1.00 15.13 H new ATOM 0 HG22 ILE A 53 15.736 27.374 24.287 1.00 15.13 H new ATOM 0 HG23 ILE A 53 16.068 28.819 23.302 1.00 15.13 H new ATOM 0 HD11 ILE A 53 12.267 30.080 21.776 1.00 13.43 H new ATOM 0 HD12 ILE A 53 11.952 28.593 22.703 1.00 13.43 H new ATOM 0 HD13 ILE A 53 13.102 29.801 23.323 1.00 13.43 H new ATOM 851 N SER A 54 13.488 25.741 20.668 1.00 40.45 N ATOM 852 CA SER A 54 12.650 25.208 19.600 1.00 55.50 C ATOM 853 C SER A 54 11.551 26.199 19.227 1.00 11.53 C ATOM 854 O SER A 54 11.564 27.350 19.664 1.00 1.21 O ATOM 855 CB SER A 54 12.028 23.877 20.026 1.00 43.13 C ATOM 856 OG SER A 54 12.208 22.888 19.027 1.00 15.40 O ATOM 0 H SER A 54 13.053 25.732 21.591 1.00 40.45 H new ATOM 0 HA SER A 54 13.280 25.043 18.726 1.00 55.50 H new ATOM 0 HB2 SER A 54 12.481 23.542 20.959 1.00 43.13 H new ATOM 0 HB3 SER A 54 10.964 24.014 20.219 1.00 43.13 H new ATOM 0 HG SER A 54 11.803 22.046 19.323 1.00 15.40 H new ATOM 862 N GLN A 55 10.601 25.743 18.418 1.00 23.12 N ATOM 863 CA GLN A 55 9.494 26.589 17.986 1.00 1.34 C ATOM 864 C GLN A 55 8.477 26.769 19.107 1.00 32.40 C ATOM 865 O GLN A 55 7.525 27.540 18.980 1.00 45.21 O ATOM 866 CB GLN A 55 8.815 25.987 16.755 1.00 51.21 C ATOM 867 CG GLN A 55 9.728 25.885 15.544 1.00 50.41 C ATOM 868 CD GLN A 55 9.705 27.137 14.689 1.00 63.22 C ATOM 869 OE1 GLN A 55 8.640 27.676 14.386 1.00 44.01 O ATOM 870 NE2 GLN A 55 10.883 27.608 14.296 1.00 23.22 N ATOM 0 H GLN A 55 10.575 24.793 18.048 1.00 23.12 H new ATOM 0 HA GLN A 55 9.897 27.568 17.727 1.00 1.34 H new ATOM 0 HB2 GLN A 55 8.445 24.993 17.005 1.00 51.21 H new ATOM 0 HB3 GLN A 55 7.948 26.594 16.495 1.00 51.21 H new ATOM 0 HG2 GLN A 55 10.748 25.696 15.878 1.00 50.41 H new ATOM 0 HG3 GLN A 55 9.428 25.030 14.938 1.00 50.41 H new ATOM 0 HE21 GLN A 55 11.741 27.129 14.570 1.00 23.22 H new ATOM 0 HE22 GLN A 55 10.930 28.448 13.720 1.00 23.22 H new ATOM 879 N LYS A 56 8.682 26.050 20.207 1.00 52.23 N ATOM 880 CA LYS A 56 7.783 26.130 21.352 1.00 60.14 C ATOM 881 C LYS A 56 7.566 27.580 21.773 1.00 22.02 C ATOM 882 O LYS A 56 6.507 27.932 22.291 1.00 51.20 O ATOM 883 CB LYS A 56 8.346 25.324 22.525 1.00 15.53 C ATOM 884 CG LYS A 56 9.816 25.594 22.797 1.00 12.22 C ATOM 885 CD LYS A 56 10.205 25.189 24.209 1.00 61.20 C ATOM 886 CE LYS A 56 11.708 25.281 24.421 1.00 32.13 C ATOM 887 NZ LYS A 56 12.248 24.070 25.098 1.00 65.15 N ATOM 0 H LYS A 56 9.463 25.406 20.329 1.00 52.23 H new ATOM 0 HA LYS A 56 6.822 25.709 21.059 1.00 60.14 H new ATOM 0 HB2 LYS A 56 7.771 25.553 23.422 1.00 15.53 H new ATOM 0 HB3 LYS A 56 8.211 24.261 22.323 1.00 15.53 H new ATOM 0 HG2 LYS A 56 10.426 25.046 22.079 1.00 12.22 H new ATOM 0 HG3 LYS A 56 10.025 26.654 22.651 1.00 12.22 H new ATOM 0 HD2 LYS A 56 9.695 25.832 24.927 1.00 61.20 H new ATOM 0 HD3 LYS A 56 9.871 24.169 24.401 1.00 61.20 H new ATOM 0 HE2 LYS A 56 12.203 25.410 23.459 1.00 32.13 H new ATOM 0 HE3 LYS A 56 11.937 26.163 25.018 1.00 32.13 H new ATOM 0 HZ1 LYS A 56 13.275 24.172 25.224 1.00 65.15 H new ATOM 0 HZ2 LYS A 56 11.794 23.960 26.027 1.00 65.15 H new ATOM 0 HZ3 LYS A 56 12.052 23.231 24.516 1.00 65.15 H new ATOM 901 N GLU A 57 8.576 28.414 21.548 1.00 52.45 N ATOM 902 CA GLU A 57 8.493 29.826 21.904 1.00 45.04 C ATOM 903 C GLU A 57 8.932 30.708 20.739 1.00 21.20 C ATOM 904 O GLU A 57 9.215 31.893 20.915 1.00 2.34 O ATOM 905 CB GLU A 57 9.360 30.116 23.132 1.00 72.54 C ATOM 906 CG GLU A 57 8.628 29.928 24.450 1.00 62.30 C ATOM 907 CD GLU A 57 9.135 30.858 25.536 1.00 73.11 C ATOM 908 OE1 GLU A 57 10.300 31.297 25.444 1.00 14.33 O ATOM 909 OE2 GLU A 57 8.366 31.147 26.477 1.00 63.52 O ATOM 0 H GLU A 57 9.460 28.137 21.121 1.00 52.45 H new ATOM 0 HA GLU A 57 7.453 30.055 22.139 1.00 45.04 H new ATOM 0 HB2 GLU A 57 10.232 29.462 23.114 1.00 72.54 H new ATOM 0 HB3 GLU A 57 9.728 31.140 23.073 1.00 72.54 H new ATOM 0 HG2 GLU A 57 7.563 30.100 24.297 1.00 62.30 H new ATOM 0 HG3 GLU A 57 8.740 28.895 24.780 1.00 62.30 H new ATOM 916 N TYR A 58 8.987 30.121 19.548 1.00 33.04 N ATOM 917 CA TYR A 58 9.394 30.852 18.354 1.00 22.11 C ATOM 918 C TYR A 58 8.428 30.593 17.202 1.00 13.20 C ATOM 919 O TYR A 58 8.071 29.450 16.920 1.00 24.12 O ATOM 920 CB TYR A 58 10.812 30.452 17.945 1.00 62.43 C ATOM 921 CG TYR A 58 11.886 31.339 18.535 1.00 71.44 C ATOM 922 CD1 TYR A 58 11.917 32.700 18.263 1.00 35.30 C ATOM 923 CD2 TYR A 58 12.868 30.814 19.366 1.00 61.52 C ATOM 924 CE1 TYR A 58 12.896 33.514 18.800 1.00 60.11 C ATOM 925 CE2 TYR A 58 13.850 31.620 19.908 1.00 71.42 C ATOM 926 CZ TYR A 58 13.860 32.969 19.622 1.00 21.32 C ATOM 927 OH TYR A 58 14.837 33.775 20.159 1.00 60.11 O ATOM 0 H TYR A 58 8.755 29.141 19.384 1.00 33.04 H new ATOM 0 HA TYR A 58 9.377 31.917 18.586 1.00 22.11 H new ATOM 0 HB2 TYR A 58 10.993 29.422 18.253 1.00 62.43 H new ATOM 0 HB3 TYR A 58 10.888 30.477 16.858 1.00 62.43 H new ATOM 0 HD1 TYR A 58 11.163 33.130 17.621 1.00 35.30 H new ATOM 0 HD2 TYR A 58 12.863 29.758 19.592 1.00 61.52 H new ATOM 0 HE1 TYR A 58 12.906 34.571 18.577 1.00 60.11 H new ATOM 0 HE2 TYR A 58 14.606 31.196 20.552 1.00 71.42 H new ATOM 0 HH TYR A 58 15.437 33.236 20.715 1.00 60.11 H new ATOM 937 N ASP A 59 8.008 31.665 16.538 1.00 2.55 N ATOM 938 CA ASP A 59 7.085 31.557 15.414 1.00 21.03 C ATOM 939 C ASP A 59 7.837 31.597 14.088 1.00 70.20 C ATOM 940 O ASP A 59 9.006 31.979 14.037 1.00 53.20 O ATOM 941 CB ASP A 59 6.053 32.684 15.464 1.00 24.24 C ATOM 942 CG ASP A 59 4.638 32.184 15.246 1.00 64.10 C ATOM 943 OD1 ASP A 59 4.227 31.242 15.955 1.00 61.44 O ATOM 944 OD2 ASP A 59 3.943 32.733 14.366 1.00 40.52 O ATOM 0 H ASP A 59 8.293 32.619 16.759 1.00 2.55 H new ATOM 0 HA ASP A 59 6.569 30.600 15.490 1.00 21.03 H new ATOM 0 HB2 ASP A 59 6.113 33.185 16.430 1.00 24.24 H new ATOM 0 HB3 ASP A 59 6.294 33.427 14.704 1.00 24.24 H new ATOM 949 N SER A 60 7.158 31.198 13.016 1.00 11.43 N ATOM 950 CA SER A 60 7.764 31.185 11.690 1.00 73.31 C ATOM 951 C SER A 60 7.721 32.572 11.059 1.00 14.43 C ATOM 952 O SER A 60 8.608 32.945 10.291 1.00 2.42 O ATOM 953 CB SER A 60 7.043 30.180 10.788 1.00 30.41 C ATOM 954 OG SER A 60 5.895 29.652 11.430 1.00 70.55 O ATOM 0 H SER A 60 6.189 30.880 13.040 1.00 11.43 H new ATOM 0 HA SER A 60 8.807 30.886 11.797 1.00 73.31 H new ATOM 0 HB2 SER A 60 6.752 30.666 9.857 1.00 30.41 H new ATOM 0 HB3 SER A 60 7.722 29.369 10.526 1.00 30.41 H new ATOM 0 HG SER A 60 5.451 29.014 10.833 1.00 70.55 H new ATOM 960 N SER A 61 6.682 33.335 11.388 1.00 20.52 N ATOM 961 CA SER A 61 6.520 34.680 10.851 1.00 54.52 C ATOM 962 C SER A 61 7.779 35.511 11.080 1.00 43.30 C ATOM 963 O SER A 61 8.098 36.406 10.295 1.00 62.02 O ATOM 964 CB SER A 61 5.316 35.369 11.498 1.00 24.13 C ATOM 965 OG SER A 61 4.134 35.135 10.754 1.00 63.35 O ATOM 0 H SER A 61 5.940 33.043 12.024 1.00 20.52 H new ATOM 0 HA SER A 61 6.349 34.598 9.778 1.00 54.52 H new ATOM 0 HB2 SER A 61 5.187 35.002 12.516 1.00 24.13 H new ATOM 0 HB3 SER A 61 5.500 36.441 11.566 1.00 24.13 H new ATOM 0 HG SER A 61 3.379 35.584 11.189 1.00 63.35 H new ATOM 971 N LEU A 62 8.491 35.209 12.160 1.00 43.44 N ATOM 972 CA LEU A 62 9.717 35.928 12.493 1.00 71.31 C ATOM 973 C LEU A 62 10.947 35.128 12.076 1.00 55.35 C ATOM 974 O LEU A 62 12.015 35.692 11.841 1.00 5.42 O ATOM 975 CB LEU A 62 9.769 36.217 13.994 1.00 15.43 C ATOM 976 CG LEU A 62 10.116 35.033 14.895 1.00 64.33 C ATOM 977 CD1 LEU A 62 11.523 35.182 15.455 1.00 51.21 C ATOM 978 CD2 LEU A 62 9.103 34.904 16.023 1.00 73.43 C ATOM 0 H LEU A 62 8.241 34.472 12.820 1.00 43.44 H new ATOM 0 HA LEU A 62 9.716 36.871 11.946 1.00 71.31 H new ATOM 0 HB2 LEU A 62 10.502 37.005 14.166 1.00 15.43 H new ATOM 0 HB3 LEU A 62 8.800 36.610 14.302 1.00 15.43 H new ATOM 0 HG LEU A 62 10.079 34.123 14.295 1.00 64.33 H new ATOM 0 HD11 LEU A 62 11.752 34.329 16.094 1.00 51.21 H new ATOM 0 HD12 LEU A 62 12.239 35.223 14.634 1.00 51.21 H new ATOM 0 HD13 LEU A 62 11.587 36.101 16.038 1.00 51.21 H new ATOM 0 HD21 LEU A 62 9.367 34.055 16.654 1.00 73.43 H new ATOM 0 HD22 LEU A 62 9.106 35.815 16.621 1.00 73.43 H new ATOM 0 HD23 LEU A 62 8.109 34.749 15.603 1.00 73.43 H new ATOM 990 N ALA A 63 10.788 33.813 11.981 1.00 20.54 N ATOM 991 CA ALA A 63 11.884 32.936 11.587 1.00 53.21 C ATOM 992 C ALA A 63 12.082 32.952 10.075 1.00 3.14 C ATOM 993 O ALA A 63 11.296 33.551 9.341 1.00 43.15 O ATOM 994 CB ALA A 63 11.627 31.518 12.073 1.00 23.23 C ATOM 0 H ALA A 63 9.910 33.330 12.172 1.00 20.54 H new ATOM 0 HA ALA A 63 12.798 33.306 12.051 1.00 53.21 H new ATOM 0 HB1 ALA A 63 12.454 30.875 11.771 1.00 23.23 H new ATOM 0 HB2 ALA A 63 11.543 31.515 13.160 1.00 23.23 H new ATOM 0 HB3 ALA A 63 10.700 31.146 11.637 1.00 23.23 H new ATOM 1000 N THR A 64 13.139 32.288 9.615 1.00 3.44 N ATOM 1001 CA THR A 64 13.442 32.227 8.191 1.00 10.02 C ATOM 1002 C THR A 64 13.650 30.788 7.734 1.00 53.22 C ATOM 1003 O THR A 64 13.344 29.843 8.464 1.00 15.34 O ATOM 1004 CB THR A 64 14.700 33.049 7.848 1.00 35.40 C ATOM 1005 OG1 THR A 64 15.869 32.379 8.331 1.00 74.24 O ATOM 1006 CG2 THR A 64 14.619 34.441 8.457 1.00 61.52 C ATOM 0 H THR A 64 13.799 31.785 10.209 1.00 3.44 H new ATOM 0 HA THR A 64 12.585 32.652 7.668 1.00 10.02 H new ATOM 0 HB THR A 64 14.759 33.147 6.764 1.00 35.40 H new ATOM 0 HG1 THR A 64 16.443 32.137 7.575 1.00 74.24 H new ATOM 0 HG21 THR A 64 15.518 35.003 8.202 1.00 61.52 H new ATOM 0 HG22 THR A 64 13.744 34.959 8.065 1.00 61.52 H new ATOM 0 HG23 THR A 64 14.538 34.360 9.541 1.00 61.52 H new ATOM 1014 N LEU A 65 14.171 30.626 6.524 1.00 51.24 N ATOM 1015 CA LEU A 65 14.420 29.300 5.969 1.00 1.11 C ATOM 1016 C LEU A 65 13.121 28.513 5.832 1.00 11.22 C ATOM 1017 O LEU A 65 12.566 28.035 6.822 1.00 2.20 O ATOM 1018 CB LEU A 65 15.404 28.532 6.854 1.00 21.43 C ATOM 1019 CG LEU A 65 16.809 29.125 6.968 1.00 72.43 C ATOM 1020 CD1 LEU A 65 17.730 28.176 7.719 1.00 73.41 C ATOM 1021 CD2 LEU A 65 17.370 29.435 5.588 1.00 34.41 C ATOM 0 H LEU A 65 14.430 31.396 5.907 1.00 51.24 H new ATOM 0 HA LEU A 65 14.853 29.425 4.977 1.00 1.11 H new ATOM 0 HB2 LEU A 65 14.980 28.459 7.855 1.00 21.43 H new ATOM 0 HB3 LEU A 65 15.490 27.516 6.469 1.00 21.43 H new ATOM 0 HG LEU A 65 16.745 30.057 7.530 1.00 72.43 H new ATOM 0 HD11 LEU A 65 18.725 28.615 7.790 1.00 73.41 H new ATOM 0 HD12 LEU A 65 17.337 28.004 8.721 1.00 73.41 H new ATOM 0 HD13 LEU A 65 17.789 27.228 7.185 1.00 73.41 H new ATOM 0 HD21 LEU A 65 18.370 29.856 5.688 1.00 34.41 H new ATOM 0 HD22 LEU A 65 17.420 28.518 5.001 1.00 34.41 H new ATOM 0 HD23 LEU A 65 16.723 30.153 5.085 1.00 34.41 H new ATOM 1033 N ASP A 66 12.641 28.382 4.600 1.00 44.11 N ATOM 1034 CA ASP A 66 11.408 27.651 4.333 1.00 62.13 C ATOM 1035 C ASP A 66 11.640 26.145 4.418 1.00 13.43 C ATOM 1036 O ASP A 66 12.084 25.519 3.455 1.00 1.34 O ATOM 1037 CB ASP A 66 10.861 28.018 2.952 1.00 21.22 C ATOM 1038 CG ASP A 66 9.827 29.124 3.015 1.00 70.53 C ATOM 1039 OD1 ASP A 66 9.972 30.025 3.866 1.00 11.42 O ATOM 1040 OD2 ASP A 66 8.869 29.087 2.213 1.00 44.30 O ATOM 0 H ASP A 66 13.087 28.773 3.770 1.00 44.11 H new ATOM 0 HA ASP A 66 10.677 27.932 5.091 1.00 62.13 H new ATOM 0 HB2 ASP A 66 11.684 28.330 2.309 1.00 21.22 H new ATOM 0 HB3 ASP A 66 10.416 27.135 2.494 1.00 21.22 H new ATOM 1045 N HIS A 67 11.337 25.570 5.578 1.00 43.24 N ATOM 1046 CA HIS A 67 11.514 24.138 5.790 1.00 74.23 C ATOM 1047 C HIS A 67 10.308 23.360 5.270 1.00 12.03 C ATOM 1048 O HIS A 67 9.162 23.767 5.463 1.00 30.23 O ATOM 1049 CB HIS A 67 11.724 23.842 7.275 1.00 32.04 C ATOM 1050 CG HIS A 67 12.470 24.920 8.000 1.00 54.14 C ATOM 1051 ND1 HIS A 67 11.981 25.544 9.128 1.00 13.51 N ATOM 1052 CD2 HIS A 67 13.676 25.482 7.753 1.00 13.41 C ATOM 1053 CE1 HIS A 67 12.854 26.446 9.543 1.00 75.14 C ATOM 1054 NE2 HIS A 67 13.891 26.428 8.725 1.00 0.34 N ATOM 0 H HIS A 67 10.968 26.074 6.385 1.00 43.24 H new ATOM 0 HA HIS A 67 12.397 23.820 5.236 1.00 74.23 H new ATOM 0 HB2 HIS A 67 10.753 23.701 7.750 1.00 32.04 H new ATOM 0 HB3 HIS A 67 12.268 22.903 7.377 1.00 32.04 H new ATOM 0 HD1 HIS A 67 11.086 25.341 9.573 1.00 13.51 H new ATOM 0 HD2 HIS A 67 14.345 25.233 6.942 1.00 13.41 H new ATOM 0 HE1 HIS A 67 12.739 27.088 10.404 1.00 75.14 H new ATOM 1062 N THR A 68 10.574 22.237 4.609 1.00 1.41 N ATOM 1063 CA THR A 68 9.512 21.404 4.061 1.00 40.24 C ATOM 1064 C THR A 68 9.139 20.283 5.024 1.00 3.01 C ATOM 1065 O THR A 68 9.778 19.231 5.043 1.00 74.32 O ATOM 1066 CB THR A 68 9.923 20.788 2.709 1.00 32.42 C ATOM 1067 OG1 THR A 68 10.131 21.824 1.743 1.00 63.15 O ATOM 1068 CG2 THR A 68 8.857 19.825 2.207 1.00 2.43 C ATOM 0 H THR A 68 11.516 21.884 4.441 1.00 1.41 H new ATOM 0 HA THR A 68 8.648 22.052 3.910 1.00 40.24 H new ATOM 0 HB THR A 68 10.851 20.234 2.853 1.00 32.42 H new ATOM 0 HG1 THR A 68 10.077 21.446 0.841 1.00 63.15 H new ATOM 0 HG21 THR A 68 9.169 19.403 1.252 1.00 2.43 H new ATOM 0 HG22 THR A 68 8.722 19.022 2.932 1.00 2.43 H new ATOM 0 HG23 THR A 68 7.916 20.359 2.077 1.00 2.43 H new ATOM 1076 N GLU A 69 8.102 20.516 5.823 1.00 73.15 N ATOM 1077 CA GLU A 69 7.645 19.524 6.788 1.00 3.34 C ATOM 1078 C GLU A 69 6.948 18.361 6.087 1.00 4.31 C ATOM 1079 O GLU A 69 5.832 18.504 5.585 1.00 4.41 O ATOM 1080 CB GLU A 69 6.695 20.167 7.802 1.00 65.35 C ATOM 1081 CG GLU A 69 5.541 20.919 7.161 1.00 31.43 C ATOM 1082 CD GLU A 69 5.485 22.373 7.587 1.00 52.34 C ATOM 1083 OE1 GLU A 69 4.840 22.666 8.615 1.00 71.11 O ATOM 1084 OE2 GLU A 69 6.087 23.218 6.892 1.00 74.01 O ATOM 0 H GLU A 69 7.563 21.382 5.821 1.00 73.15 H new ATOM 0 HA GLU A 69 8.518 19.137 7.313 1.00 3.34 H new ATOM 0 HB2 GLU A 69 6.295 19.391 8.455 1.00 65.35 H new ATOM 0 HB3 GLU A 69 7.260 20.854 8.432 1.00 65.35 H new ATOM 0 HG2 GLU A 69 5.635 20.865 6.076 1.00 31.43 H new ATOM 0 HG3 GLU A 69 4.603 20.431 7.424 1.00 31.43 H new ATOM 1091 N ILE A 70 7.614 17.212 6.057 1.00 43.31 N ATOM 1092 CA ILE A 70 7.059 16.025 5.418 1.00 64.22 C ATOM 1093 C ILE A 70 5.965 15.399 6.277 1.00 53.43 C ATOM 1094 O ILE A 70 6.141 15.199 7.478 1.00 0.44 O ATOM 1095 CB ILE A 70 8.148 14.970 5.147 1.00 43.45 C ATOM 1096 CG1 ILE A 70 9.146 15.492 4.110 1.00 73.31 C ATOM 1097 CG2 ILE A 70 7.519 13.668 4.676 1.00 54.21 C ATOM 1098 CD1 ILE A 70 10.377 16.124 4.721 1.00 64.34 C ATOM 0 H ILE A 70 8.538 17.078 6.467 1.00 43.31 H new ATOM 0 HA ILE A 70 6.633 16.348 4.468 1.00 64.22 H new ATOM 0 HB ILE A 70 8.685 14.776 6.076 1.00 43.45 H new ATOM 0 HG12 ILE A 70 9.452 14.668 3.466 1.00 73.31 H new ATOM 0 HG13 ILE A 70 8.648 16.225 3.475 1.00 73.31 H new ATOM 0 HG21 ILE A 70 8.302 12.933 4.489 1.00 54.21 H new ATOM 0 HG22 ILE A 70 6.844 13.291 5.444 1.00 54.21 H new ATOM 0 HG23 ILE A 70 6.960 13.845 3.757 1.00 54.21 H new ATOM 0 HD11 ILE A 70 11.039 16.471 3.928 1.00 64.34 H new ATOM 0 HD12 ILE A 70 10.082 16.969 5.343 1.00 64.34 H new ATOM 0 HD13 ILE A 70 10.898 15.388 5.333 1.00 64.34 H new ATOM 1110 N LYS A 71 4.834 15.092 5.651 1.00 33.42 N ATOM 1111 CA LYS A 71 3.710 14.485 6.356 1.00 50.44 C ATOM 1112 C LYS A 71 3.255 13.209 5.656 1.00 24.03 C ATOM 1113 O LYS A 71 3.615 12.956 4.507 1.00 2.13 O ATOM 1114 CB LYS A 71 2.545 15.474 6.444 1.00 73.13 C ATOM 1115 CG LYS A 71 2.887 16.753 7.188 1.00 23.41 C ATOM 1116 CD LYS A 71 1.960 17.891 6.796 1.00 14.35 C ATOM 1117 CE LYS A 71 2.486 18.648 5.587 1.00 72.14 C ATOM 1118 NZ LYS A 71 2.150 17.956 4.311 1.00 71.32 N ATOM 0 H LYS A 71 4.671 15.253 4.657 1.00 33.42 H new ATOM 0 HA LYS A 71 4.039 14.229 7.363 1.00 50.44 H new ATOM 0 HB2 LYS A 71 2.217 15.727 5.436 1.00 73.13 H new ATOM 0 HB3 LYS A 71 1.704 14.989 6.940 1.00 73.13 H new ATOM 0 HG2 LYS A 71 2.818 16.580 8.262 1.00 23.41 H new ATOM 0 HG3 LYS A 71 3.919 17.034 6.976 1.00 23.41 H new ATOM 0 HD2 LYS A 71 0.969 17.495 6.575 1.00 14.35 H new ATOM 0 HD3 LYS A 71 1.849 18.577 7.636 1.00 14.35 H new ATOM 0 HE2 LYS A 71 2.065 19.654 5.577 1.00 72.14 H new ATOM 0 HE3 LYS A 71 3.568 18.756 5.668 1.00 72.14 H new ATOM 0 HZ1 LYS A 71 1.945 18.663 3.576 1.00 71.32 H new ATOM 0 HZ2 LYS A 71 2.955 17.369 4.012 1.00 71.32 H new ATOM 0 HZ3 LYS A 71 1.315 17.352 4.453 1.00 71.32 H new ATOM 1132 N ALA A 72 2.460 12.407 6.358 1.00 64.32 N ATOM 1133 CA ALA A 72 1.953 11.158 5.804 1.00 64.42 C ATOM 1134 C ALA A 72 0.823 11.416 4.813 1.00 61.31 C ATOM 1135 O ALA A 72 0.016 12.329 4.979 1.00 13.13 O ATOM 1136 CB ALA A 72 1.480 10.238 6.919 1.00 22.20 C ATOM 0 H ALA A 72 2.154 12.601 7.311 1.00 64.32 H new ATOM 0 HA ALA A 72 2.767 10.671 5.268 1.00 64.42 H new ATOM 0 HB1 ALA A 72 1.104 9.309 6.490 1.00 22.20 H new ATOM 0 HB2 ALA A 72 2.313 10.018 7.587 1.00 22.20 H new ATOM 0 HB3 ALA A 72 0.684 10.726 7.481 1.00 22.20 H new ATOM 1142 N PRO A 73 0.763 10.593 3.755 1.00 64.01 N ATOM 1143 CA PRO A 73 -0.264 10.712 2.716 1.00 12.34 C ATOM 1144 C PRO A 73 -1.649 10.321 3.223 1.00 2.32 C ATOM 1145 O PRO A 73 -2.665 10.755 2.679 1.00 53.12 O ATOM 1146 CB PRO A 73 0.206 9.734 1.637 1.00 21.43 C ATOM 1147 CG PRO A 73 1.032 8.732 2.369 1.00 51.04 C ATOM 1148 CD PRO A 73 1.693 9.481 3.492 1.00 13.15 C ATOM 0 HA PRO A 73 -0.369 11.738 2.363 1.00 12.34 H new ATOM 0 HB2 PRO A 73 -0.639 9.261 1.136 1.00 21.43 H new ATOM 0 HB3 PRO A 73 0.789 10.242 0.869 1.00 21.43 H new ATOM 0 HG2 PRO A 73 0.413 7.921 2.752 1.00 51.04 H new ATOM 0 HG3 PRO A 73 1.774 8.282 1.710 1.00 51.04 H new ATOM 0 HD2 PRO A 73 1.825 8.851 4.372 1.00 13.15 H new ATOM 0 HD3 PRO A 73 2.681 9.842 3.207 1.00 13.15 H new ATOM 1156 N PHE A 74 -1.682 9.500 4.267 1.00 41.51 N ATOM 1157 CA PHE A 74 -2.942 9.051 4.847 1.00 74.01 C ATOM 1158 C PHE A 74 -2.696 8.133 6.040 1.00 4.41 C ATOM 1159 O PHE A 74 -1.675 7.448 6.110 1.00 14.32 O ATOM 1160 CB PHE A 74 -3.782 8.324 3.794 1.00 4.43 C ATOM 1161 CG PHE A 74 -3.016 7.278 3.036 1.00 30.23 C ATOM 1162 CD1 PHE A 74 -2.823 6.016 3.575 1.00 65.34 C ATOM 1163 CD2 PHE A 74 -2.491 7.556 1.785 1.00 4.21 C ATOM 1164 CE1 PHE A 74 -2.118 5.051 2.879 1.00 54.13 C ATOM 1165 CE2 PHE A 74 -1.785 6.595 1.084 1.00 11.34 C ATOM 1166 CZ PHE A 74 -1.600 5.341 1.632 1.00 44.14 C ATOM 0 H PHE A 74 -0.850 9.132 4.729 1.00 41.51 H new ATOM 0 HA PHE A 74 -3.487 9.929 5.194 1.00 74.01 H new ATOM 0 HB2 PHE A 74 -4.636 7.855 4.282 1.00 4.43 H new ATOM 0 HB3 PHE A 74 -4.179 9.055 3.089 1.00 4.43 H new ATOM 0 HD1 PHE A 74 -3.227 5.784 4.549 1.00 65.34 H new ATOM 0 HD2 PHE A 74 -2.635 8.535 1.352 1.00 4.21 H new ATOM 0 HE1 PHE A 74 -1.973 4.072 3.310 1.00 54.13 H new ATOM 0 HE2 PHE A 74 -1.379 6.825 0.110 1.00 11.34 H new ATOM 0 HZ PHE A 74 -1.051 4.588 1.086 1.00 44.14 H new ATOM 1176 N ASP A 75 -3.637 8.126 6.978 1.00 31.31 N ATOM 1177 CA ASP A 75 -3.523 7.292 8.169 1.00 14.44 C ATOM 1178 C ASP A 75 -3.238 5.842 7.792 1.00 53.22 C ATOM 1179 O ASP A 75 -3.915 5.267 6.942 1.00 32.32 O ATOM 1180 CB ASP A 75 -4.805 7.375 8.999 1.00 60.42 C ATOM 1181 CG ASP A 75 -5.933 6.555 8.403 1.00 14.11 C ATOM 1182 OD1 ASP A 75 -6.464 6.956 7.346 1.00 12.30 O ATOM 1183 OD2 ASP A 75 -6.285 5.514 8.994 1.00 72.50 O ATOM 0 H ASP A 75 -4.487 8.688 6.937 1.00 31.31 H new ATOM 0 HA ASP A 75 -2.689 7.663 8.765 1.00 14.44 H new ATOM 0 HB2 ASP A 75 -4.602 7.027 10.012 1.00 60.42 H new ATOM 0 HB3 ASP A 75 -5.118 8.416 9.076 1.00 60.42 H new ATOM 1188 N GLY A 76 -2.229 5.257 8.431 1.00 2.03 N ATOM 1189 CA GLY A 76 -1.872 3.879 8.148 1.00 44.51 C ATOM 1190 C GLY A 76 -0.669 3.417 8.947 1.00 4.41 C ATOM 1191 O GLY A 76 -0.577 3.670 10.150 1.00 74.54 O ATOM 0 H GLY A 76 -1.653 5.712 9.139 1.00 2.03 H new ATOM 0 HA2 GLY A 76 -2.722 3.234 8.370 1.00 44.51 H new ATOM 0 HA3 GLY A 76 -1.661 3.773 7.084 1.00 44.51 H new ATOM 1195 N THR A 77 0.257 2.736 8.280 1.00 41.51 N ATOM 1196 CA THR A 77 1.458 2.234 8.935 1.00 10.53 C ATOM 1197 C THR A 77 2.708 2.918 8.392 1.00 23.12 C ATOM 1198 O THR A 77 2.704 3.444 7.279 1.00 51.42 O ATOM 1199 CB THR A 77 1.601 0.711 8.758 1.00 42.53 C ATOM 1200 OG1 THR A 77 0.347 0.068 9.013 1.00 52.53 O ATOM 1201 CG2 THR A 77 2.662 0.154 9.695 1.00 42.32 C ATOM 0 H THR A 77 0.198 2.519 7.285 1.00 41.51 H new ATOM 0 HA THR A 77 1.356 2.460 9.996 1.00 10.53 H new ATOM 0 HB THR A 77 1.907 0.514 7.731 1.00 42.53 H new ATOM 0 HG1 THR A 77 0.403 -0.439 9.850 1.00 52.53 H new ATOM 0 HG21 THR A 77 2.745 -0.923 9.552 1.00 42.32 H new ATOM 0 HG22 THR A 77 3.621 0.624 9.478 1.00 42.32 H new ATOM 0 HG23 THR A 77 2.381 0.362 10.727 1.00 42.32 H new ATOM 1209 N ILE A 78 3.775 2.905 9.183 1.00 73.10 N ATOM 1210 CA ILE A 78 5.032 3.523 8.779 1.00 22.00 C ATOM 1211 C ILE A 78 6.194 2.544 8.914 1.00 61.22 C ATOM 1212 O ILE A 78 6.223 1.720 9.827 1.00 12.13 O ATOM 1213 CB ILE A 78 5.336 4.781 9.614 1.00 24.54 C ATOM 1214 CG1 ILE A 78 6.685 5.377 9.206 1.00 33.03 C ATOM 1215 CG2 ILE A 78 5.326 4.445 11.098 1.00 5.43 C ATOM 1216 CD1 ILE A 78 6.712 6.889 9.240 1.00 35.43 C ATOM 0 H ILE A 78 3.795 2.474 10.107 1.00 73.10 H new ATOM 0 HA ILE A 78 4.920 3.810 7.733 1.00 22.00 H new ATOM 0 HB ILE A 78 4.560 5.523 9.423 1.00 24.54 H new ATOM 0 HG12 ILE A 78 7.459 4.993 9.871 1.00 33.03 H new ATOM 0 HG13 ILE A 78 6.933 5.040 8.200 1.00 33.03 H new ATOM 0 HG21 ILE A 78 5.542 5.343 11.676 1.00 5.43 H new ATOM 0 HG22 ILE A 78 4.345 4.061 11.378 1.00 5.43 H new ATOM 0 HG23 ILE A 78 6.084 3.689 11.305 1.00 5.43 H new ATOM 0 HD11 ILE A 78 7.698 7.242 8.939 1.00 35.43 H new ATOM 0 HD12 ILE A 78 5.961 7.282 8.554 1.00 35.43 H new ATOM 0 HD13 ILE A 78 6.496 7.234 10.251 1.00 35.43 H new ATOM 1228 N GLY A 79 7.152 2.641 7.997 1.00 63.13 N ATOM 1229 CA GLY A 79 8.304 1.759 8.032 1.00 61.01 C ATOM 1230 C GLY A 79 9.380 2.248 8.982 1.00 30.41 C ATOM 1231 O GLY A 79 9.103 3.022 9.898 1.00 30.42 O ATOM 0 H GLY A 79 7.151 3.314 7.231 1.00 63.13 H new ATOM 0 HA2 GLY A 79 7.985 0.761 8.332 1.00 61.01 H new ATOM 0 HA3 GLY A 79 8.722 1.672 7.029 1.00 61.01 H new ATOM 1235 N ASP A 80 10.609 1.793 8.765 1.00 14.13 N ATOM 1236 CA ASP A 80 11.731 2.189 9.610 1.00 34.51 C ATOM 1237 C ASP A 80 12.606 3.219 8.903 1.00 54.33 C ATOM 1238 O ASP A 80 12.821 3.141 7.694 1.00 34.52 O ATOM 1239 CB ASP A 80 12.566 0.966 9.990 1.00 22.15 C ATOM 1240 CG ASP A 80 12.730 -0.005 8.836 1.00 1.24 C ATOM 1241 OD1 ASP A 80 11.857 -0.881 8.671 1.00 72.25 O ATOM 1242 OD2 ASP A 80 13.733 0.112 8.101 1.00 12.22 O ATOM 0 H ASP A 80 10.854 1.150 8.012 1.00 14.13 H new ATOM 0 HA ASP A 80 11.330 2.641 10.517 1.00 34.51 H new ATOM 0 HB2 ASP A 80 13.549 1.292 10.329 1.00 22.15 H new ATOM 0 HB3 ASP A 80 12.094 0.453 10.828 1.00 22.15 H new ATOM 1247 N ALA A 81 13.108 4.184 9.666 1.00 51.11 N ATOM 1248 CA ALA A 81 13.961 5.230 9.114 1.00 71.12 C ATOM 1249 C ALA A 81 15.127 4.631 8.336 1.00 43.44 C ATOM 1250 O ALA A 81 15.902 3.837 8.870 1.00 53.30 O ATOM 1251 CB ALA A 81 14.473 6.134 10.224 1.00 14.54 C ATOM 0 H ALA A 81 12.939 4.263 10.669 1.00 51.11 H new ATOM 0 HA ALA A 81 13.364 5.826 8.423 1.00 71.12 H new ATOM 0 HB1 ALA A 81 15.108 6.910 9.797 1.00 14.54 H new ATOM 0 HB2 ALA A 81 13.629 6.597 10.735 1.00 14.54 H new ATOM 0 HB3 ALA A 81 15.050 5.544 10.937 1.00 14.54 H new ATOM 1257 N LEU A 82 15.246 5.016 7.069 1.00 5.21 N ATOM 1258 CA LEU A 82 16.320 4.517 6.216 1.00 60.11 C ATOM 1259 C LEU A 82 17.595 5.330 6.413 1.00 12.53 C ATOM 1260 O LEU A 82 18.682 4.772 6.567 1.00 40.35 O ATOM 1261 CB LEU A 82 15.893 4.564 4.748 1.00 43.14 C ATOM 1262 CG LEU A 82 15.261 3.287 4.192 1.00 14.42 C ATOM 1263 CD1 LEU A 82 14.168 2.783 5.122 1.00 44.53 C ATOM 1264 CD2 LEU A 82 14.705 3.532 2.797 1.00 64.44 C ATOM 0 H LEU A 82 14.613 5.671 6.610 1.00 5.21 H new ATOM 0 HA LEU A 82 16.524 3.484 6.497 1.00 60.11 H new ATOM 0 HB2 LEU A 82 15.183 5.381 4.623 1.00 43.14 H new ATOM 0 HB3 LEU A 82 16.767 4.806 4.144 1.00 43.14 H new ATOM 0 HG LEU A 82 16.034 2.521 4.125 1.00 14.42 H new ATOM 0 HD11 LEU A 82 13.730 1.874 4.710 1.00 44.53 H new ATOM 0 HD12 LEU A 82 14.594 2.568 6.102 1.00 44.53 H new ATOM 0 HD13 LEU A 82 13.395 3.545 5.222 1.00 44.53 H new ATOM 0 HD21 LEU A 82 14.259 2.613 2.416 1.00 64.44 H new ATOM 0 HD22 LEU A 82 13.946 4.313 2.840 1.00 64.44 H new ATOM 0 HD23 LEU A 82 15.511 3.846 2.134 1.00 64.44 H new ATOM 1276 N VAL A 83 17.455 6.652 6.410 1.00 2.15 N ATOM 1277 CA VAL A 83 18.595 7.542 6.592 1.00 74.11 C ATOM 1278 C VAL A 83 18.599 8.152 7.990 1.00 61.12 C ATOM 1279 O VAL A 83 17.711 7.882 8.797 1.00 23.35 O ATOM 1280 CB VAL A 83 18.593 8.677 5.549 1.00 24.33 C ATOM 1281 CG1 VAL A 83 18.779 8.114 4.148 1.00 73.20 C ATOM 1282 CG2 VAL A 83 17.308 9.483 5.643 1.00 53.31 C ATOM 0 H VAL A 83 16.563 7.130 6.283 1.00 2.15 H new ATOM 0 HA VAL A 83 19.492 6.938 6.460 1.00 74.11 H new ATOM 0 HB VAL A 83 19.429 9.344 5.760 1.00 24.33 H new ATOM 0 HG11 VAL A 83 18.775 8.929 3.425 1.00 73.20 H new ATOM 0 HG12 VAL A 83 19.730 7.584 4.092 1.00 73.20 H new ATOM 0 HG13 VAL A 83 17.966 7.425 3.922 1.00 73.20 H new ATOM 0 HG21 VAL A 83 17.323 10.280 4.900 1.00 53.31 H new ATOM 0 HG22 VAL A 83 16.455 8.830 5.458 1.00 53.31 H new ATOM 0 HG23 VAL A 83 17.223 9.917 6.639 1.00 53.31 H new ATOM 1292 N ASN A 84 19.604 8.975 8.266 1.00 1.24 N ATOM 1293 CA ASN A 84 19.724 9.624 9.568 1.00 64.34 C ATOM 1294 C ASN A 84 19.450 11.121 9.457 1.00 30.22 C ATOM 1295 O ASN A 84 19.037 11.610 8.405 1.00 42.23 O ATOM 1296 CB ASN A 84 21.121 9.392 10.149 1.00 30.34 C ATOM 1297 CG ASN A 84 21.451 7.918 10.290 1.00 62.11 C ATOM 1298 OD1 ASN A 84 21.014 7.260 11.234 1.00 22.41 O ATOM 1299 ND2 ASN A 84 22.226 7.394 9.348 1.00 61.11 N ATOM 0 H ASN A 84 20.347 9.209 7.607 1.00 1.24 H new ATOM 0 HA ASN A 84 18.982 9.185 10.235 1.00 64.34 H new ATOM 0 HB2 ASN A 84 21.862 9.868 9.507 1.00 30.34 H new ATOM 0 HB3 ASN A 84 21.190 9.872 11.125 1.00 30.34 H new ATOM 0 HD21 ASN A 84 22.482 6.408 9.389 1.00 61.11 H new ATOM 0 HD22 ASN A 84 22.565 7.978 8.584 1.00 61.11 H new ATOM 1306 N ILE A 85 19.683 11.841 10.548 1.00 14.02 N ATOM 1307 CA ILE A 85 19.462 13.283 10.573 1.00 22.42 C ATOM 1308 C ILE A 85 20.732 14.039 10.196 1.00 74.44 C ATOM 1309 O ILE A 85 21.840 13.610 10.513 1.00 53.22 O ATOM 1310 CB ILE A 85 18.989 13.756 11.961 1.00 71.14 C ATOM 1311 CG1 ILE A 85 17.636 13.129 12.303 1.00 51.10 C ATOM 1312 CG2 ILE A 85 18.901 15.274 12.000 1.00 40.34 C ATOM 1313 CD1 ILE A 85 17.036 13.653 13.589 1.00 74.31 C ATOM 0 H ILE A 85 20.025 11.451 11.426 1.00 14.02 H new ATOM 0 HA ILE A 85 18.683 13.497 9.841 1.00 22.42 H new ATOM 0 HB ILE A 85 19.716 13.434 12.707 1.00 71.14 H new ATOM 0 HG12 ILE A 85 16.941 13.316 11.485 1.00 51.10 H new ATOM 0 HG13 ILE A 85 17.754 12.048 12.381 1.00 51.10 H new ATOM 0 HG21 ILE A 85 18.566 15.594 12.987 1.00 40.34 H new ATOM 0 HG22 ILE A 85 19.883 15.701 11.795 1.00 40.34 H new ATOM 0 HG23 ILE A 85 18.192 15.617 11.247 1.00 40.34 H new ATOM 0 HD11 ILE A 85 16.078 13.165 13.769 1.00 74.31 H new ATOM 0 HD12 ILE A 85 17.712 13.443 14.418 1.00 74.31 H new ATOM 0 HD13 ILE A 85 16.885 14.729 13.508 1.00 74.31 H new ATOM 1325 N GLY A 86 20.559 15.169 9.516 1.00 24.13 N ATOM 1326 CA GLY A 86 21.699 15.969 9.108 1.00 40.35 C ATOM 1327 C GLY A 86 22.359 15.439 7.850 1.00 50.01 C ATOM 1328 O GLY A 86 23.492 15.805 7.534 1.00 31.50 O ATOM 0 H GLY A 86 19.651 15.544 9.241 1.00 24.13 H new ATOM 0 HA2 GLY A 86 21.376 16.997 8.940 1.00 40.35 H new ATOM 0 HA3 GLY A 86 22.430 15.993 9.916 1.00 40.35 H new ATOM 1332 N ASP A 87 21.652 14.574 7.132 1.00 33.12 N ATOM 1333 CA ASP A 87 22.176 13.992 5.902 1.00 34.23 C ATOM 1334 C ASP A 87 21.401 14.497 4.689 1.00 52.43 C ATOM 1335 O ASP A 87 20.178 14.626 4.730 1.00 74.42 O ATOM 1336 CB ASP A 87 22.107 12.466 5.966 1.00 25.11 C ATOM 1337 CG ASP A 87 23.435 11.812 5.636 1.00 1.55 C ATOM 1338 OD1 ASP A 87 24.172 12.361 4.790 1.00 71.21 O ATOM 1339 OD2 ASP A 87 23.738 10.753 6.224 1.00 21.52 O ATOM 0 H ASP A 87 20.714 14.260 7.381 1.00 33.12 H new ATOM 0 HA ASP A 87 23.217 14.298 5.799 1.00 34.23 H new ATOM 0 HB2 ASP A 87 21.793 12.161 6.964 1.00 25.11 H new ATOM 0 HB3 ASP A 87 21.347 12.110 5.270 1.00 25.11 H new ATOM 1344 N TYR A 88 22.122 14.784 3.610 1.00 5.15 N ATOM 1345 CA TYR A 88 21.504 15.279 2.386 1.00 31.41 C ATOM 1346 C TYR A 88 20.660 14.194 1.725 1.00 33.24 C ATOM 1347 O TYR A 88 21.022 13.017 1.735 1.00 32.01 O ATOM 1348 CB TYR A 88 22.574 15.772 1.412 1.00 5.34 C ATOM 1349 CG TYR A 88 22.027 16.167 0.060 1.00 62.34 C ATOM 1350 CD1 TYR A 88 21.901 15.231 -0.960 1.00 43.03 C ATOM 1351 CD2 TYR A 88 21.636 17.475 -0.200 1.00 22.43 C ATOM 1352 CE1 TYR A 88 21.402 15.587 -2.198 1.00 73.02 C ATOM 1353 CE2 TYR A 88 21.135 17.839 -1.434 1.00 74.05 C ATOM 1354 CZ TYR A 88 21.020 16.892 -2.431 1.00 21.33 C ATOM 1355 OH TYR A 88 20.521 17.251 -3.662 1.00 44.30 O ATOM 0 H TYR A 88 23.136 14.682 3.559 1.00 5.15 H new ATOM 0 HA TYR A 88 20.852 16.112 2.650 1.00 31.41 H new ATOM 0 HB2 TYR A 88 23.086 16.628 1.851 1.00 5.34 H new ATOM 0 HB3 TYR A 88 23.320 14.988 1.278 1.00 5.34 H new ATOM 0 HD1 TYR A 88 22.198 14.208 -0.782 1.00 43.03 H new ATOM 0 HD2 TYR A 88 21.726 18.220 0.577 1.00 22.43 H new ATOM 0 HE1 TYR A 88 21.311 14.847 -2.980 1.00 73.02 H new ATOM 0 HE2 TYR A 88 20.835 18.860 -1.618 1.00 74.05 H new ATOM 0 HH TYR A 88 20.065 16.484 -4.066 1.00 44.30 H new ATOM 1365 N VAL A 89 19.532 14.598 1.150 1.00 75.20 N ATOM 1366 CA VAL A 89 18.635 13.663 0.481 1.00 25.24 C ATOM 1367 C VAL A 89 18.071 14.263 -0.801 1.00 20.12 C ATOM 1368 O VAL A 89 17.897 15.477 -0.906 1.00 31.12 O ATOM 1369 CB VAL A 89 17.470 13.249 1.399 1.00 33.12 C ATOM 1370 CG1 VAL A 89 17.958 12.319 2.498 1.00 32.22 C ATOM 1371 CG2 VAL A 89 16.796 14.479 1.990 1.00 11.02 C ATOM 0 H VAL A 89 19.217 15.568 1.134 1.00 75.20 H new ATOM 0 HA VAL A 89 19.225 12.780 0.235 1.00 25.24 H new ATOM 0 HB VAL A 89 16.734 12.710 0.802 1.00 33.12 H new ATOM 0 HG11 VAL A 89 17.120 12.038 3.136 1.00 32.22 H new ATOM 0 HG12 VAL A 89 18.390 11.424 2.052 1.00 32.22 H new ATOM 0 HG13 VAL A 89 18.714 12.828 3.096 1.00 32.22 H new ATOM 0 HG21 VAL A 89 15.975 14.169 2.636 1.00 11.02 H new ATOM 0 HG22 VAL A 89 17.522 15.047 2.572 1.00 11.02 H new ATOM 0 HG23 VAL A 89 16.408 15.103 1.185 1.00 11.02 H new ATOM 1381 N SER A 90 17.786 13.404 -1.774 1.00 53.12 N ATOM 1382 CA SER A 90 17.243 13.850 -3.053 1.00 62.50 C ATOM 1383 C SER A 90 15.751 14.146 -2.935 1.00 62.35 C ATOM 1384 O SER A 90 15.178 14.081 -1.850 1.00 22.54 O ATOM 1385 CB SER A 90 17.482 12.789 -4.129 1.00 50.01 C ATOM 1386 OG SER A 90 18.342 13.278 -5.145 1.00 22.13 O ATOM 0 H SER A 90 17.922 12.396 -1.702 1.00 53.12 H new ATOM 0 HA SER A 90 17.756 14.768 -3.339 1.00 62.50 H new ATOM 0 HB2 SER A 90 17.918 11.899 -3.676 1.00 50.01 H new ATOM 0 HB3 SER A 90 16.530 12.490 -4.567 1.00 50.01 H new ATOM 0 HG SER A 90 18.481 12.581 -5.820 1.00 22.13 H new ATOM 1392 N ALA A 91 15.129 14.472 -4.064 1.00 22.41 N ATOM 1393 CA ALA A 91 13.704 14.776 -4.090 1.00 73.33 C ATOM 1394 C ALA A 91 12.875 13.555 -3.707 1.00 74.53 C ATOM 1395 O ALA A 91 12.579 13.337 -2.532 1.00 72.44 O ATOM 1396 CB ALA A 91 13.297 15.282 -5.466 1.00 1.44 C ATOM 0 H ALA A 91 15.590 14.532 -4.972 1.00 22.41 H new ATOM 0 HA ALA A 91 13.511 15.558 -3.356 1.00 73.33 H new ATOM 0 HB1 ALA A 91 12.230 15.505 -5.471 1.00 1.44 H new ATOM 0 HB2 ALA A 91 13.858 16.186 -5.702 1.00 1.44 H new ATOM 0 HB3 ALA A 91 13.511 14.517 -6.213 1.00 1.44 H new ATOM 1402 N SER A 92 12.502 12.762 -4.707 1.00 33.31 N ATOM 1403 CA SER A 92 11.701 11.565 -4.476 1.00 25.15 C ATOM 1404 C SER A 92 12.573 10.313 -4.517 1.00 72.23 C ATOM 1405 O SER A 92 12.132 9.221 -4.157 1.00 75.25 O ATOM 1406 CB SER A 92 10.588 11.460 -5.520 1.00 21.20 C ATOM 1407 OG SER A 92 10.369 10.112 -5.898 1.00 24.51 O ATOM 0 H SER A 92 12.742 12.927 -5.685 1.00 33.31 H new ATOM 0 HA SER A 92 11.253 11.643 -3.486 1.00 25.15 H new ATOM 0 HB2 SER A 92 9.667 11.882 -5.118 1.00 21.20 H new ATOM 0 HB3 SER A 92 10.852 12.049 -6.398 1.00 21.20 H new ATOM 0 HG SER A 92 9.652 10.072 -6.565 1.00 24.51 H new ATOM 1413 N THR A 93 13.816 10.479 -4.959 1.00 53.04 N ATOM 1414 CA THR A 93 14.750 9.364 -5.050 1.00 52.44 C ATOM 1415 C THR A 93 15.142 8.862 -3.665 1.00 63.35 C ATOM 1416 O THR A 93 15.561 7.715 -3.506 1.00 24.04 O ATOM 1417 CB THR A 93 16.025 9.761 -5.820 1.00 22.13 C ATOM 1418 OG1 THR A 93 15.687 10.607 -6.924 1.00 54.43 O ATOM 1419 CG2 THR A 93 16.758 8.527 -6.325 1.00 14.55 C ATOM 0 H THR A 93 14.199 11.375 -5.260 1.00 53.04 H new ATOM 0 HA THR A 93 14.240 8.567 -5.592 1.00 52.44 H new ATOM 0 HB THR A 93 16.682 10.301 -5.138 1.00 22.13 H new ATOM 0 HG1 THR A 93 16.503 10.856 -7.407 1.00 54.43 H new ATOM 0 HG21 THR A 93 17.654 8.832 -6.865 1.00 14.55 H new ATOM 0 HG22 THR A 93 17.040 7.900 -5.479 1.00 14.55 H new ATOM 0 HG23 THR A 93 16.106 7.964 -6.993 1.00 14.55 H new ATOM 1427 N THR A 94 15.003 9.727 -2.665 1.00 64.31 N ATOM 1428 CA THR A 94 15.342 9.369 -1.294 1.00 42.52 C ATOM 1429 C THR A 94 14.099 8.983 -0.502 1.00 12.21 C ATOM 1430 O THR A 94 13.370 9.847 -0.014 1.00 42.41 O ATOM 1431 CB THR A 94 16.057 10.528 -0.573 1.00 42.02 C ATOM 1432 OG1 THR A 94 17.278 10.848 -1.251 1.00 22.15 O ATOM 1433 CG2 THR A 94 16.356 10.162 0.874 1.00 53.42 C ATOM 0 H THR A 94 14.658 10.680 -2.779 1.00 64.31 H new ATOM 0 HA THR A 94 16.014 8.513 -1.348 1.00 42.52 H new ATOM 0 HB THR A 94 15.398 11.396 -0.584 1.00 42.02 H new ATOM 0 HG1 THR A 94 18.012 10.884 -0.603 1.00 22.15 H new ATOM 0 HG21 THR A 94 16.861 10.995 1.363 1.00 53.42 H new ATOM 0 HG22 THR A 94 15.423 9.947 1.395 1.00 53.42 H new ATOM 0 HG23 THR A 94 16.998 9.282 0.901 1.00 53.42 H new ATOM 1441 N GLU A 95 13.862 7.681 -0.377 1.00 54.33 N ATOM 1442 CA GLU A 95 12.704 7.183 0.356 1.00 45.02 C ATOM 1443 C GLU A 95 13.084 6.819 1.789 1.00 51.43 C ATOM 1444 O GLU A 95 13.050 5.650 2.175 1.00 43.54 O ATOM 1445 CB GLU A 95 12.111 5.962 -0.351 1.00 11.42 C ATOM 1446 CG GLU A 95 12.207 6.032 -1.867 1.00 30.45 C ATOM 1447 CD GLU A 95 11.381 4.960 -2.551 1.00 40.35 C ATOM 1448 OE1 GLU A 95 11.294 3.840 -2.007 1.00 24.32 O ATOM 1449 OE2 GLU A 95 10.823 5.241 -3.633 1.00 1.35 O ATOM 0 H GLU A 95 14.456 6.953 -0.773 1.00 54.33 H new ATOM 0 HA GLU A 95 11.956 7.975 0.386 1.00 45.02 H new ATOM 0 HB2 GLU A 95 12.625 5.066 -0.003 1.00 11.42 H new ATOM 0 HB3 GLU A 95 11.064 5.860 -0.066 1.00 11.42 H new ATOM 0 HG2 GLU A 95 11.874 7.013 -2.204 1.00 30.45 H new ATOM 0 HG3 GLU A 95 13.250 5.929 -2.167 1.00 30.45 H new ATOM 1456 N LEU A 96 13.445 7.829 2.573 1.00 73.11 N ATOM 1457 CA LEU A 96 13.831 7.617 3.964 1.00 44.15 C ATOM 1458 C LEU A 96 12.863 6.666 4.659 1.00 24.25 C ATOM 1459 O LEU A 96 13.242 5.945 5.583 1.00 32.41 O ATOM 1460 CB LEU A 96 13.878 8.952 4.710 1.00 32.42 C ATOM 1461 CG LEU A 96 13.015 10.074 4.131 1.00 12.14 C ATOM 1462 CD1 LEU A 96 13.680 10.681 2.905 1.00 3.12 C ATOM 1463 CD2 LEU A 96 11.627 9.555 3.785 1.00 51.24 C ATOM 0 H LEU A 96 13.479 8.802 2.270 1.00 73.11 H new ATOM 0 HA LEU A 96 14.824 7.167 3.975 1.00 44.15 H new ATOM 0 HB2 LEU A 96 13.571 8.780 5.742 1.00 32.42 H new ATOM 0 HB3 LEU A 96 14.913 9.294 4.738 1.00 32.42 H new ATOM 0 HG LEU A 96 12.912 10.853 4.886 1.00 12.14 H new ATOM 0 HD11 LEU A 96 13.051 11.477 2.507 1.00 3.12 H new ATOM 0 HD12 LEU A 96 14.651 11.090 3.183 1.00 3.12 H new ATOM 0 HD13 LEU A 96 13.815 9.911 2.145 1.00 3.12 H new ATOM 0 HD21 LEU A 96 11.027 10.367 3.374 1.00 51.24 H new ATOM 0 HD22 LEU A 96 11.710 8.757 3.048 1.00 51.24 H new ATOM 0 HD23 LEU A 96 11.148 9.169 4.685 1.00 51.24 H new ATOM 1475 N VAL A 97 11.614 6.667 4.208 1.00 72.03 N ATOM 1476 CA VAL A 97 10.592 5.801 4.784 1.00 14.41 C ATOM 1477 C VAL A 97 9.358 5.738 3.891 1.00 32.51 C ATOM 1478 O VAL A 97 8.997 6.720 3.241 1.00 3.42 O ATOM 1479 CB VAL A 97 10.173 6.283 6.185 1.00 31.11 C ATOM 1480 CG1 VAL A 97 8.788 5.761 6.539 1.00 45.30 C ATOM 1481 CG2 VAL A 97 11.196 5.850 7.225 1.00 74.01 C ATOM 0 H VAL A 97 11.284 7.258 3.445 1.00 72.03 H new ATOM 0 HA VAL A 97 11.030 4.806 4.865 1.00 14.41 H new ATOM 0 HB VAL A 97 10.133 7.372 6.178 1.00 31.11 H new ATOM 0 HG11 VAL A 97 8.510 6.112 7.533 1.00 45.30 H new ATOM 0 HG12 VAL A 97 8.065 6.125 5.810 1.00 45.30 H new ATOM 0 HG13 VAL A 97 8.796 4.671 6.529 1.00 45.30 H new ATOM 0 HG21 VAL A 97 10.884 6.199 8.209 1.00 74.01 H new ATOM 0 HG22 VAL A 97 11.270 4.763 7.232 1.00 74.01 H new ATOM 0 HG23 VAL A 97 12.168 6.278 6.979 1.00 74.01 H new ATOM 1491 N ARG A 98 8.713 4.576 3.863 1.00 72.22 N ATOM 1492 CA ARG A 98 7.520 4.383 3.049 1.00 74.02 C ATOM 1493 C ARG A 98 6.322 4.011 3.918 1.00 21.33 C ATOM 1494 O ARG A 98 6.481 3.474 5.015 1.00 13.30 O ATOM 1495 CB ARG A 98 7.761 3.295 2.001 1.00 32.32 C ATOM 1496 CG ARG A 98 7.893 1.900 2.590 1.00 35.02 C ATOM 1497 CD ARG A 98 9.293 1.655 3.131 1.00 73.22 C ATOM 1498 NE ARG A 98 9.813 0.350 2.730 1.00 11.12 N ATOM 1499 CZ ARG A 98 10.262 0.082 1.509 1.00 31.21 C ATOM 1500 NH1 ARG A 98 10.254 1.022 0.574 1.00 2.24 N ATOM 1501 NH2 ARG A 98 10.719 -1.130 1.221 1.00 63.01 N ATOM 0 H ARG A 98 8.997 3.754 4.395 1.00 72.22 H new ATOM 0 HA ARG A 98 7.301 5.323 2.543 1.00 74.02 H new ATOM 0 HB2 ARG A 98 6.938 3.302 1.287 1.00 32.32 H new ATOM 0 HB3 ARG A 98 8.668 3.533 1.445 1.00 32.32 H new ATOM 0 HG2 ARG A 98 7.165 1.771 3.391 1.00 35.02 H new ATOM 0 HG3 ARG A 98 7.662 1.158 1.826 1.00 35.02 H new ATOM 0 HD2 ARG A 98 9.962 2.438 2.773 1.00 73.22 H new ATOM 0 HD3 ARG A 98 9.278 1.721 4.219 1.00 73.22 H new ATOM 0 HE ARG A 98 9.832 -0.396 3.425 1.00 11.12 H new ATOM 0 HH11 ARG A 98 9.902 1.954 0.791 1.00 2.24 H new ATOM 0 HH12 ARG A 98 10.600 0.813 -0.363 1.00 2.24 H new ATOM 0 HH21 ARG A 98 10.726 -1.856 1.937 1.00 63.01 H new ATOM 0 HH22 ARG A 98 11.064 -1.336 0.283 1.00 63.01 H new ATOM 1515 N VAL A 99 5.123 4.299 3.422 1.00 42.22 N ATOM 1516 CA VAL A 99 3.899 3.993 4.153 1.00 54.50 C ATOM 1517 C VAL A 99 3.238 2.730 3.614 1.00 61.20 C ATOM 1518 O VAL A 99 3.075 2.568 2.405 1.00 34.30 O ATOM 1519 CB VAL A 99 2.894 5.158 4.075 1.00 31.14 C ATOM 1520 CG1 VAL A 99 1.631 4.827 4.854 1.00 23.21 C ATOM 1521 CG2 VAL A 99 3.526 6.443 4.591 1.00 43.01 C ATOM 0 H VAL A 99 4.973 4.744 2.517 1.00 42.22 H new ATOM 0 HA VAL A 99 4.182 3.835 5.194 1.00 54.50 H new ATOM 0 HB VAL A 99 2.620 5.308 3.031 1.00 31.14 H new ATOM 0 HG11 VAL A 99 0.933 5.662 4.787 1.00 23.21 H new ATOM 0 HG12 VAL A 99 1.169 3.933 4.435 1.00 23.21 H new ATOM 0 HG13 VAL A 99 1.884 4.649 5.899 1.00 23.21 H new ATOM 0 HG21 VAL A 99 2.802 7.255 4.528 1.00 43.01 H new ATOM 0 HG22 VAL A 99 3.831 6.307 5.629 1.00 43.01 H new ATOM 0 HG23 VAL A 99 4.399 6.688 3.986 1.00 43.01 H new ATOM 1531 N THR A 100 2.859 1.834 4.521 1.00 0.24 N ATOM 1532 CA THR A 100 2.217 0.584 4.138 1.00 23.53 C ATOM 1533 C THR A 100 0.886 0.407 4.860 1.00 62.41 C ATOM 1534 O THR A 100 0.632 1.046 5.880 1.00 23.32 O ATOM 1535 CB THR A 100 3.119 -0.628 4.442 1.00 12.31 C ATOM 1536 OG1 THR A 100 2.520 -1.825 3.933 1.00 54.43 O ATOM 1537 CG2 THR A 100 3.351 -0.767 5.939 1.00 75.22 C ATOM 0 H THR A 100 2.986 1.952 5.526 1.00 0.24 H new ATOM 0 HA THR A 100 2.041 0.635 3.064 1.00 23.53 H new ATOM 0 HB THR A 100 4.081 -0.469 3.955 1.00 12.31 H new ATOM 0 HG1 THR A 100 1.875 -2.171 4.585 1.00 54.43 H new ATOM 0 HG21 THR A 100 3.990 -1.629 6.130 1.00 75.22 H new ATOM 0 HG22 THR A 100 3.834 0.134 6.318 1.00 75.22 H new ATOM 0 HG23 THR A 100 2.395 -0.906 6.444 1.00 75.22 H new ATOM 1545 N ASN A 101 0.039 -0.468 4.325 1.00 40.45 N ATOM 1546 CA ASN A 101 -1.266 -0.729 4.919 1.00 70.12 C ATOM 1547 C ASN A 101 -2.151 0.512 4.857 1.00 52.10 C ATOM 1548 O ASN A 101 -1.656 1.640 4.820 1.00 21.24 O ATOM 1549 CB ASN A 101 -1.107 -1.185 6.370 1.00 55.50 C ATOM 1550 CG ASN A 101 -0.027 -2.237 6.531 1.00 62.13 C ATOM 1551 OD1 ASN A 101 0.354 -2.903 5.569 1.00 62.31 O ATOM 1552 ND2 ASN A 101 0.472 -2.391 7.752 1.00 12.31 N ATOM 0 H ASN A 101 0.234 -1.007 3.482 1.00 40.45 H new ATOM 0 HA ASN A 101 -1.745 -1.523 4.347 1.00 70.12 H new ATOM 0 HB2 ASN A 101 -0.868 -0.324 6.994 1.00 55.50 H new ATOM 0 HB3 ASN A 101 -2.056 -1.585 6.728 1.00 55.50 H new ATOM 0 HD21 ASN A 101 1.201 -3.084 7.921 1.00 12.31 H new ATOM 0 HD22 ASN A 101 0.126 -1.817 8.521 1.00 12.31 H new ATOM 1559 N LEU A 102 -3.462 0.298 4.848 1.00 31.30 N ATOM 1560 CA LEU A 102 -4.417 1.400 4.792 1.00 3.00 C ATOM 1561 C LEU A 102 -5.842 0.895 4.986 1.00 72.35 C ATOM 1562 O LEU A 102 -6.610 1.455 5.767 1.00 54.53 O ATOM 1563 CB LEU A 102 -4.301 2.134 3.455 1.00 72.22 C ATOM 1564 CG LEU A 102 -5.261 3.306 3.247 1.00 45.01 C ATOM 1565 CD1 LEU A 102 -6.607 2.811 2.740 1.00 4.13 C ATOM 1566 CD2 LEU A 102 -5.431 4.091 4.539 1.00 21.25 C ATOM 0 H LEU A 102 -3.888 -0.628 4.879 1.00 31.30 H new ATOM 0 HA LEU A 102 -4.183 2.092 5.601 1.00 3.00 H new ATOM 0 HB2 LEU A 102 -3.281 2.504 3.354 1.00 72.22 H new ATOM 0 HB3 LEU A 102 -4.460 1.413 2.653 1.00 72.22 H new ATOM 0 HG LEU A 102 -4.835 3.970 2.495 1.00 45.01 H new ATOM 0 HD11 LEU A 102 -7.277 3.659 2.598 1.00 4.13 H new ATOM 0 HD12 LEU A 102 -6.470 2.294 1.790 1.00 4.13 H new ATOM 0 HD13 LEU A 102 -7.040 2.125 3.468 1.00 4.13 H new ATOM 0 HD21 LEU A 102 -6.117 4.921 4.373 1.00 21.25 H new ATOM 0 HD22 LEU A 102 -5.834 3.437 5.312 1.00 21.25 H new ATOM 0 HD23 LEU A 102 -4.464 4.478 4.859 1.00 21.25 H new ATOM 1578 N ASN A 103 -6.190 -0.170 4.271 1.00 64.51 N ATOM 1579 CA ASN A 103 -7.524 -0.753 4.365 1.00 53.21 C ATOM 1580 C ASN A 103 -7.544 -1.907 5.363 1.00 40.15 C ATOM 1581 O ASN A 103 -6.523 -2.535 5.643 1.00 23.31 O ATOM 1582 CB ASN A 103 -7.987 -1.242 2.992 1.00 32.43 C ATOM 1583 CG ASN A 103 -8.343 -0.100 2.061 1.00 61.04 C ATOM 1584 OD1 ASN A 103 -9.295 0.641 2.303 1.00 11.13 O ATOM 1585 ND2 ASN A 103 -7.576 0.047 0.986 1.00 72.22 N ATOM 0 H ASN A 103 -5.567 -0.647 3.620 1.00 64.51 H new ATOM 0 HA ASN A 103 -8.208 0.020 4.717 1.00 53.21 H new ATOM 0 HB2 ASN A 103 -7.199 -1.844 2.539 1.00 32.43 H new ATOM 0 HB3 ASN A 103 -8.854 -1.891 3.114 1.00 32.43 H new ATOM 0 HD21 ASN A 103 -7.767 0.798 0.322 1.00 72.22 H new ATOM 0 HD22 ASN A 103 -6.797 -0.591 0.825 1.00 72.22 H new ATOM 1592 N PRO A 104 -8.734 -2.195 5.911 1.00 3.44 N ATOM 1593 CA PRO A 104 -8.915 -3.275 6.885 1.00 75.34 C ATOM 1594 C PRO A 104 -8.763 -4.655 6.255 1.00 75.31 C ATOM 1595 O PRO A 104 -9.700 -5.179 5.650 1.00 54.40 O ATOM 1596 CB PRO A 104 -10.349 -3.068 7.380 1.00 74.34 C ATOM 1597 CG PRO A 104 -11.037 -2.358 6.265 1.00 71.02 C ATOM 1598 CD PRO A 104 -9.992 -1.487 5.623 1.00 30.20 C ATOM 0 HA PRO A 104 -8.167 -3.240 7.677 1.00 75.34 H new ATOM 0 HB2 PRO A 104 -10.832 -4.020 7.601 1.00 74.34 H new ATOM 0 HB3 PRO A 104 -10.370 -2.479 8.297 1.00 74.34 H new ATOM 0 HG2 PRO A 104 -11.450 -3.066 5.547 1.00 71.02 H new ATOM 0 HG3 PRO A 104 -11.869 -1.760 6.637 1.00 71.02 H new ATOM 0 HD2 PRO A 104 -10.159 -1.384 4.551 1.00 30.20 H new ATOM 0 HD3 PRO A 104 -9.993 -0.482 6.044 1.00 30.20 H new ATOM 1606 N ILE A 105 -7.579 -5.239 6.400 1.00 73.32 N ATOM 1607 CA ILE A 105 -7.306 -6.559 5.846 1.00 42.11 C ATOM 1608 C ILE A 105 -7.955 -7.654 6.687 1.00 61.12 C ATOM 1609 O ILE A 105 -8.182 -7.478 7.885 1.00 42.45 O ATOM 1610 CB ILE A 105 -5.792 -6.829 5.753 1.00 14.52 C ATOM 1611 CG1 ILE A 105 -5.072 -5.613 5.166 1.00 3.11 C ATOM 1612 CG2 ILE A 105 -5.526 -8.068 4.911 1.00 11.42 C ATOM 1613 CD1 ILE A 105 -5.578 -5.212 3.798 1.00 34.24 C ATOM 0 H ILE A 105 -6.793 -4.819 6.896 1.00 73.32 H new ATOM 0 HA ILE A 105 -7.732 -6.574 4.843 1.00 42.11 H new ATOM 0 HB ILE A 105 -5.406 -7.007 6.757 1.00 14.52 H new ATOM 0 HG12 ILE A 105 -5.185 -4.770 5.848 1.00 3.11 H new ATOM 0 HG13 ILE A 105 -4.006 -5.829 5.101 1.00 3.11 H new ATOM 0 HG21 ILE A 105 -4.452 -8.246 4.854 1.00 11.42 H new ATOM 0 HG22 ILE A 105 -6.013 -8.930 5.368 1.00 11.42 H new ATOM 0 HG23 ILE A 105 -5.922 -7.917 3.907 1.00 11.42 H new ATOM 0 HD11 ILE A 105 -5.022 -4.344 3.445 1.00 34.24 H new ATOM 0 HD12 ILE A 105 -5.440 -6.039 3.102 1.00 34.24 H new ATOM 0 HD13 ILE A 105 -6.638 -4.964 3.860 1.00 34.24 H new ATOM 1625 N TYR A 106 -8.248 -8.783 6.053 1.00 30.40 N ATOM 1626 CA TYR A 106 -8.872 -9.907 6.742 1.00 21.23 C ATOM 1627 C TYR A 106 -8.047 -11.178 6.568 1.00 71.21 C ATOM 1628 O TYR A 106 -7.910 -11.975 7.496 1.00 22.42 O ATOM 1629 CB TYR A 106 -10.290 -10.130 6.218 1.00 74.41 C ATOM 1630 CG TYR A 106 -11.048 -8.848 5.954 1.00 4.23 C ATOM 1631 CD1 TYR A 106 -10.927 -8.184 4.740 1.00 70.25 C ATOM 1632 CD2 TYR A 106 -11.883 -8.300 6.920 1.00 43.43 C ATOM 1633 CE1 TYR A 106 -11.616 -7.013 4.494 1.00 13.43 C ATOM 1634 CE2 TYR A 106 -12.577 -7.129 6.683 1.00 52.32 C ATOM 1635 CZ TYR A 106 -12.439 -6.489 5.469 1.00 34.30 C ATOM 1636 OH TYR A 106 -13.129 -5.322 5.229 1.00 4.23 O ATOM 0 H TYR A 106 -8.064 -8.945 5.063 1.00 30.40 H new ATOM 0 HA TYR A 106 -8.919 -9.668 7.805 1.00 21.23 H new ATOM 0 HB2 TYR A 106 -10.240 -10.709 5.296 1.00 74.41 H new ATOM 0 HB3 TYR A 106 -10.845 -10.728 6.941 1.00 74.41 H new ATOM 0 HD1 TYR A 106 -10.283 -8.591 3.975 1.00 70.25 H new ATOM 0 HD2 TYR A 106 -11.991 -8.798 7.872 1.00 43.43 H new ATOM 0 HE1 TYR A 106 -11.511 -6.510 3.544 1.00 13.43 H new ATOM 0 HE2 TYR A 106 -13.224 -6.717 7.444 1.00 52.32 H new ATOM 0 HH TYR A 106 -13.664 -5.090 6.017 1.00 4.23 H new ATOM 1646 N ALA A 107 -7.499 -11.361 5.370 1.00 14.15 N ATOM 1647 CA ALA A 107 -6.686 -12.533 5.074 1.00 64.22 C ATOM 1648 C ALA A 107 -5.597 -12.727 6.124 1.00 43.31 C ATOM 1649 O ALA A 107 -5.412 -13.827 6.645 1.00 51.14 O ATOM 1650 CB ALA A 107 -6.069 -12.410 3.688 1.00 41.44 C ATOM 0 H ALA A 107 -7.604 -10.712 4.590 1.00 14.15 H new ATOM 0 HA ALA A 107 -7.334 -13.409 5.096 1.00 64.22 H new ATOM 0 HB1 ALA A 107 -5.464 -13.292 3.479 1.00 41.44 H new ATOM 0 HB2 ALA A 107 -6.861 -12.329 2.943 1.00 41.44 H new ATOM 0 HB3 ALA A 107 -5.440 -11.521 3.647 1.00 41.44 H new ATOM 1656 N ASP A 108 -4.879 -11.651 6.430 1.00 75.43 N ATOM 1657 CA ASP A 108 -3.808 -11.703 7.419 1.00 71.32 C ATOM 1658 C ASP A 108 -3.160 -10.332 7.590 1.00 61.52 C ATOM 1659 O ASP A 108 -2.822 -9.669 6.611 1.00 44.23 O ATOM 1660 CB ASP A 108 -2.754 -12.732 7.006 1.00 13.24 C ATOM 1661 CG ASP A 108 -1.430 -12.519 7.714 1.00 50.53 C ATOM 1662 OD1 ASP A 108 -1.258 -13.057 8.828 1.00 70.21 O ATOM 1663 OD2 ASP A 108 -0.565 -11.814 7.153 1.00 33.22 O ATOM 0 H ASP A 108 -5.019 -10.733 6.008 1.00 75.43 H new ATOM 0 HA ASP A 108 -4.241 -12.002 8.374 1.00 71.32 H new ATOM 0 HB2 ASP A 108 -3.123 -13.734 7.225 1.00 13.24 H new ATOM 0 HB3 ASP A 108 -2.600 -12.678 5.928 1.00 13.24 H new ATOM 1668 N GLY A 109 -2.992 -9.915 8.841 1.00 73.23 N ATOM 1669 CA GLY A 109 -2.387 -8.626 9.117 1.00 40.21 C ATOM 1670 C GLY A 109 -2.269 -8.347 10.602 1.00 4.43 C ATOM 1671 O GLY A 109 -3.157 -8.697 11.380 1.00 73.52 O ATOM 0 H GLY A 109 -3.264 -10.447 9.668 1.00 73.23 H new ATOM 0 HA2 GLY A 109 -1.396 -8.588 8.664 1.00 40.21 H new ATOM 0 HA3 GLY A 109 -2.982 -7.841 8.649 1.00 40.21 H new ATOM 1675 N SER A 110 -1.168 -7.717 11.000 1.00 50.23 N ATOM 1676 CA SER A 110 -0.933 -7.397 12.402 1.00 35.11 C ATOM 1677 C SER A 110 -1.852 -6.268 12.863 1.00 63.25 C ATOM 1678 O SER A 110 -2.414 -6.316 13.958 1.00 42.12 O ATOM 1679 CB SER A 110 0.528 -7.001 12.620 1.00 13.00 C ATOM 1680 OG SER A 110 1.069 -7.653 13.756 1.00 10.24 O ATOM 0 H SER A 110 -0.424 -7.418 10.370 1.00 50.23 H new ATOM 0 HA SER A 110 -1.152 -8.286 12.993 1.00 35.11 H new ATOM 0 HB2 SER A 110 1.113 -7.257 11.737 1.00 13.00 H new ATOM 0 HB3 SER A 110 0.600 -5.921 12.748 1.00 13.00 H new ATOM 0 HG SER A 110 2.004 -7.385 13.873 1.00 10.24 H new ATOM 1686 N HIS A 111 -2.000 -5.252 12.018 1.00 2.10 N ATOM 1687 CA HIS A 111 -2.849 -4.110 12.336 1.00 71.31 C ATOM 1688 C HIS A 111 -2.616 -3.643 13.769 1.00 34.14 C ATOM 1689 O HIS A 111 -1.638 -4.029 14.408 1.00 3.24 O ATOM 1690 CB HIS A 111 -4.322 -4.473 12.138 1.00 3.11 C ATOM 1691 CG HIS A 111 -4.825 -5.490 13.116 1.00 51.20 C ATOM 1692 ND1 HIS A 111 -5.144 -5.185 14.422 1.00 11.12 N ATOM 1693 CD2 HIS A 111 -5.064 -6.815 12.971 1.00 12.14 C ATOM 1694 CE1 HIS A 111 -5.557 -6.277 15.040 1.00 62.22 C ATOM 1695 NE2 HIS A 111 -5.518 -7.281 14.181 1.00 55.32 N ATOM 0 H HIS A 111 -1.543 -5.197 11.108 1.00 2.10 H new ATOM 0 HA HIS A 111 -2.589 -3.295 11.660 1.00 71.31 H new ATOM 0 HB2 HIS A 111 -4.925 -3.569 12.224 1.00 3.11 H new ATOM 0 HB3 HIS A 111 -4.461 -4.854 11.126 1.00 3.11 H new ATOM 0 HD2 HIS A 111 -4.924 -7.397 12.072 1.00 12.14 H new ATOM 0 HE1 HIS A 111 -5.873 -6.339 16.071 1.00 62.22 H new ATOM 0 HE2 HIS A 111 -5.782 -8.245 14.384 1.00 55.32 H new ATOM 1703 N HIS A 112 -3.523 -2.808 14.269 1.00 2.22 N ATOM 1704 CA HIS A 112 -3.415 -2.288 15.627 1.00 32.15 C ATOM 1705 C HIS A 112 -4.797 -2.106 16.250 1.00 22.31 C ATOM 1706 O HIS A 112 -5.592 -1.284 15.795 1.00 22.13 O ATOM 1707 CB HIS A 112 -2.665 -0.956 15.628 1.00 4.30 C ATOM 1708 CG HIS A 112 -1.287 -1.046 16.207 1.00 42.40 C ATOM 1709 ND1 HIS A 112 -0.147 -0.747 15.489 1.00 73.04 N ATOM 1710 CD2 HIS A 112 -0.867 -1.401 17.444 1.00 25.10 C ATOM 1711 CE1 HIS A 112 0.913 -0.917 16.258 1.00 60.44 C ATOM 1712 NE2 HIS A 112 0.503 -1.313 17.450 1.00 3.20 N ATOM 0 H HIS A 112 -4.339 -2.478 13.754 1.00 2.22 H new ATOM 0 HA HIS A 112 -2.858 -3.011 16.223 1.00 32.15 H new ATOM 0 HB2 HIS A 112 -2.597 -0.586 14.605 1.00 4.30 H new ATOM 0 HB3 HIS A 112 -3.241 -0.224 16.194 1.00 4.30 H new ATOM 0 HD2 HIS A 112 -1.493 -1.698 18.272 1.00 25.10 H new ATOM 0 HE1 HIS A 112 1.940 -0.759 15.963 1.00 60.44 H new ATOM 0 HE2 HIS A 112 1.107 -1.520 18.246 1.00 3.20 H new ATOM 1720 N HIS A 113 -5.076 -2.881 17.295 1.00 72.04 N ATOM 1721 CA HIS A 113 -6.361 -2.806 17.980 1.00 70.54 C ATOM 1722 C HIS A 113 -6.631 -1.388 18.476 1.00 62.43 C ATOM 1723 O HIS A 113 -5.725 -0.704 18.952 1.00 21.00 O ATOM 1724 CB HIS A 113 -6.395 -3.785 19.154 1.00 50.15 C ATOM 1725 CG HIS A 113 -5.251 -3.617 20.107 1.00 15.41 C ATOM 1726 ND1 HIS A 113 -5.291 -2.755 21.183 1.00 44.30 N ATOM 1727 CD2 HIS A 113 -4.034 -4.205 20.142 1.00 41.20 C ATOM 1728 CE1 HIS A 113 -4.145 -2.820 21.838 1.00 64.42 C ATOM 1729 NE2 HIS A 113 -3.365 -3.694 21.227 1.00 33.01 N ATOM 0 H HIS A 113 -4.430 -3.567 17.685 1.00 72.04 H new ATOM 0 HA HIS A 113 -7.141 -3.077 17.268 1.00 70.54 H new ATOM 0 HB2 HIS A 113 -7.331 -3.656 19.697 1.00 50.15 H new ATOM 0 HB3 HIS A 113 -6.388 -4.804 18.767 1.00 50.15 H new ATOM 0 HD2 HIS A 113 -3.658 -4.940 19.446 1.00 41.20 H new ATOM 0 HE1 HIS A 113 -3.890 -2.255 22.722 1.00 64.42 H new ATOM 0 HE2 HIS A 113 -2.420 -3.948 21.514 1.00 33.01 H new ATOM 1737 N HIS A 114 -7.882 -0.954 18.359 1.00 61.13 N ATOM 1738 CA HIS A 114 -8.271 0.382 18.795 1.00 45.43 C ATOM 1739 C HIS A 114 -9.426 0.314 19.790 1.00 74.24 C ATOM 1740 O HIS A 114 -10.301 -0.546 19.683 1.00 65.34 O ATOM 1741 CB HIS A 114 -8.666 1.239 17.592 1.00 32.31 C ATOM 1742 CG HIS A 114 -8.696 2.707 17.888 1.00 41.45 C ATOM 1743 ND1 HIS A 114 -7.740 3.341 18.652 1.00 50.03 N ATOM 1744 CD2 HIS A 114 -9.574 3.668 17.513 1.00 24.12 C ATOM 1745 CE1 HIS A 114 -8.029 4.627 18.737 1.00 41.22 C ATOM 1746 NE2 HIS A 114 -9.137 4.852 18.055 1.00 62.02 N ATOM 0 H HIS A 114 -8.643 -1.508 17.966 1.00 61.13 H new ATOM 0 HA HIS A 114 -7.415 0.840 19.291 1.00 45.43 H new ATOM 0 HB2 HIS A 114 -7.964 1.055 16.779 1.00 32.31 H new ATOM 0 HB3 HIS A 114 -9.650 0.927 17.241 1.00 32.31 H new ATOM 0 HD2 HIS A 114 -10.454 3.529 16.902 1.00 24.12 H new ATOM 0 HE1 HIS A 114 -7.456 5.369 19.273 1.00 41.22 H new ATOM 0 HE2 HIS A 114 -9.594 5.758 17.948 1.00 62.02 H new ATOM 1754 N HIS A 115 -9.423 1.227 20.755 1.00 10.15 N ATOM 1755 CA HIS A 115 -10.471 1.271 21.769 1.00 30.13 C ATOM 1756 C HIS A 115 -11.000 2.692 21.944 1.00 63.31 C ATOM 1757 O HIS A 115 -11.123 3.185 23.065 1.00 32.21 O ATOM 1758 CB HIS A 115 -9.942 0.743 23.103 1.00 54.21 C ATOM 1759 CG HIS A 115 -8.705 1.443 23.575 1.00 14.14 C ATOM 1760 ND1 HIS A 115 -8.707 2.368 24.598 1.00 55.14 N ATOM 1761 CD2 HIS A 115 -7.420 1.347 23.160 1.00 21.42 C ATOM 1762 CE1 HIS A 115 -7.478 2.812 24.790 1.00 51.12 C ATOM 1763 NE2 HIS A 115 -6.677 2.208 23.930 1.00 35.43 N ATOM 0 H HIS A 115 -8.707 1.946 20.857 1.00 10.15 H new ATOM 0 HA HIS A 115 -11.292 0.636 21.435 1.00 30.13 H new ATOM 0 HB2 HIS A 115 -10.720 0.847 23.860 1.00 54.21 H new ATOM 0 HB3 HIS A 115 -9.732 -0.322 23.006 1.00 54.21 H new ATOM 0 HD2 HIS A 115 -7.048 0.711 22.370 1.00 21.42 H new ATOM 0 HE1 HIS A 115 -7.179 3.544 25.525 1.00 51.12 H new ATOM 0 HE2 HIS A 115 -5.671 2.357 23.851 1.00 35.43 H new ATOM 1771 N HIS A 116 -11.310 3.344 20.827 1.00 22.15 N ATOM 1772 CA HIS A 116 -11.825 4.708 20.857 1.00 22.55 C ATOM 1773 C HIS A 116 -10.810 5.658 21.486 1.00 13.11 C ATOM 1774 O HIS A 116 -9.610 5.482 21.277 1.00 72.30 O ATOM 1775 CB HIS A 116 -13.141 4.761 21.634 1.00 52.51 C ATOM 1776 CG HIS A 116 -13.854 6.073 21.512 1.00 21.33 C ATOM 1777 ND1 HIS A 116 -15.038 6.223 20.820 1.00 44.51 N ATOM 1778 CD2 HIS A 116 -13.547 7.297 22.000 1.00 35.13 C ATOM 1779 CE1 HIS A 116 -15.426 7.484 20.886 1.00 13.31 C ATOM 1780 NE2 HIS A 116 -14.539 8.157 21.597 1.00 10.24 N ATOM 0 H HIS A 116 -11.213 2.950 19.891 1.00 22.15 H new ATOM 0 HA HIS A 116 -12.005 5.025 19.830 1.00 22.55 H new ATOM 0 HB2 HIS A 116 -13.796 3.966 21.278 1.00 52.51 H new ATOM 0 HB3 HIS A 116 -12.941 4.562 22.687 1.00 52.51 H new ATOM 0 HD2 HIS A 116 -12.683 7.551 22.596 1.00 35.13 H new ATOM 0 HE1 HIS A 116 -16.317 7.895 20.435 1.00 13.31 H new ATOM 0 HE2 HIS A 116 -14.584 9.153 21.812 1.00 10.24 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 23.142 30.599 5.657 1.00 55.02 C HETATM 1790 N2 B6D A 117 24.416 29.982 3.644 1.00 54.12 N HETATM 1791 C3 B6D A 117 25.570 29.956 5.860 1.00 33.34 C HETATM 1792 C4 B6D A 117 25.631 30.678 7.220 1.00 23.13 C HETATM 1793 C5 B6D A 117 24.245 30.701 7.895 1.00 20.42 C HETATM 1794 C6 B6D A 117 24.185 31.558 9.157 1.00 13.35 C HETATM 1795 C7 B6D A 117 23.690 28.842 3.386 1.00 4.21 C HETATM 1796 C8 B6D A 117 23.452 28.521 1.890 1.00 61.30 C HETATM 1797 C9 B6D A 117 27.524 28.386 9.689 1.00 32.51 C HETATM 1798 C2 B6D A 117 24.514 30.636 4.958 1.00 52.30 C HETATM 1799 O7 B6D A 117 23.228 28.122 4.253 1.00 54.44 O HETATM 1800 N4 B6D A 117 26.610 30.032 8.105 1.00 13.51 N HETATM 1801 C10 B6D A 117 26.426 28.806 8.692 1.00 64.12 C HETATM 1802 O10 B6D A 117 25.486 28.068 8.447 1.00 3.13 O HETATM 1803 O5 B6D A 117 23.253 31.283 6.960 1.00 11.32 O HETATM 1804 O3 B6D A 117 26.895 30.047 5.223 1.00 71.15 O HETATM 0 HN4 B6D A 117 27.482 30.527 8.295 1.00 13.51 H new HETATM 0 HN2 B6D A 117 24.924 30.405 2.867 1.00 54.12 H new HETATM 0 H9B B6D A 117 28.485 28.344 9.176 1.00 32.51 H new HETATM 0 H9A B6D A 117 27.577 29.113 10.499 1.00 32.51 H new HETATM 0 H9 B6D A 117 27.287 27.404 10.098 1.00 32.51 H new HETATM 0 H8B B6D A 117 22.907 29.342 1.424 1.00 61.30 H new HETATM 0 H8A B6D A 117 24.411 28.392 1.389 1.00 61.30 H new HETATM 0 H8 B6D A 117 22.870 27.603 1.803 1.00 61.30 H new HETATM 0 H6B B6D A 117 24.894 31.175 9.891 1.00 13.35 H new HETATM 0 H6A B6D A 117 24.440 32.589 8.909 1.00 13.35 H new HETATM 0 H6 B6D A 117 23.178 31.523 9.573 1.00 13.35 H new HETATM 0 H5 B6D A 117 24.035 29.665 8.162 1.00 20.42 H new HETATM 0 H4 B6D A 117 25.944 31.706 7.039 1.00 23.13 H new HETATM 0 H3 B6D A 117 25.294 28.911 6.003 1.00 33.34 H new HETATM 0 H2 B6D A 117 24.826 31.668 4.795 1.00 52.30 H new HETATM 1821 C1 A2G A 118 27.682 28.786 5.204 1.00 32.34 C HETATM 1822 C2 A2G A 118 29.149 29.109 4.882 1.00 30.31 C HETATM 1823 C3 A2G A 118 29.200 29.797 3.505 1.00 75.42 C HETATM 1824 C4 A2G A 118 28.634 28.824 2.379 1.00 15.55 C HETATM 1825 C5 A2G A 118 27.259 28.327 2.772 1.00 23.11 C HETATM 1826 C6 A2G A 118 26.592 27.315 1.830 1.00 64.14 C HETATM 1827 C7 A2G A 118 30.402 29.350 7.032 1.00 34.23 C HETATM 1828 C8 A2G A 118 31.024 30.350 8.025 1.00 75.33 C HETATM 1829 O A2G A 118 27.198 27.834 4.177 1.00 50.43 O HETATM 1830 O3 A2G A 118 30.526 30.240 3.201 1.00 22.01 O HETATM 1831 O4 A2G A 118 29.533 27.661 2.277 1.00 45.52 O HETATM 1832 O6 A2G A 118 25.540 26.615 2.501 1.00 63.15 O HETATM 1833 O7 A2G A 118 30.507 28.148 7.211 1.00 33.01 O HETATM 1834 N2 A2G A 118 29.760 29.908 5.953 1.00 64.15 N HETATM 0 HO3 A2G A 118 30.533 30.672 2.321 1.00 22.01 H new HETATM 0 HN2 A2G A 118 29.705 30.925 5.893 1.00 64.15 H new HETATM 0 H8B A2G A 118 31.765 30.961 7.510 1.00 75.33 H new HETATM 0 H8A A2G A 118 30.243 30.993 8.432 1.00 75.33 H new HETATM 0 H8 A2G A 118 31.505 29.805 8.837 1.00 75.33 H new HETATM 0 H6 A2G A 118 27.335 26.604 1.467 1.00 64.14 H new HETATM 0 H5 A2G A 118 26.665 29.236 2.676 1.00 23.11 H new HETATM 0 H4 A2G A 118 28.573 29.359 1.431 1.00 15.55 H new HETATM 0 H3 A2G A 118 28.564 30.682 3.535 1.00 75.42 H new HETATM 0 H2 A2G A 118 29.741 28.195 4.830 1.00 30.31 H new HETATM 0 H15 A2G A 118 25.693 26.643 3.469 1.00 63.15 H new HETATM 0 H14 A2G A 118 26.193 27.832 0.957 1.00 64.14 H new HETATM 1848 C1 A2G A 119 29.773 27.160 0.899 1.00 25.02 C HETATM 1849 C2 A2G A 119 30.140 25.668 0.960 1.00 51.42 C HETATM 1850 C3 A2G A 119 31.410 25.518 1.819 1.00 13.41 C HETATM 1851 C4 A2G A 119 32.621 26.312 1.160 1.00 42.01 C HETATM 1852 C5 A2G A 119 32.215 27.748 0.900 1.00 23.03 C HETATM 1853 C6 A2G A 119 33.245 28.643 0.197 1.00 15.11 C HETATM 1854 C7 A2G A 119 28.677 23.640 0.927 1.00 3.34 C HETATM 1855 C8 A2G A 119 27.404 22.996 1.505 1.00 74.33 C HETATM 1856 O A2G A 119 30.890 27.865 0.228 1.00 2.35 O HETATM 1857 O3 A2G A 119 31.732 24.139 2.022 1.00 21.44 O HETATM 1858 O4 A2G A 119 32.938 25.682 -0.135 1.00 11.11 O HETATM 1859 O6 A2G A 119 32.954 30.025 0.426 1.00 52.21 O HETATM 1860 O7 A2G A 119 29.338 23.064 0.079 1.00 40.21 O HETATM 1861 N2 A2G A 119 29.010 24.868 1.449 1.00 23.21 N HETATM 0 HO3 A2G A 119 32.542 24.069 2.568 1.00 21.44 H new HETATM 0 HN2 A2G A 119 28.445 25.241 2.212 1.00 23.21 H new HETATM 0 H8B A2G A 119 27.525 22.850 2.578 1.00 74.33 H new HETATM 0 H8A A2G A 119 26.551 23.649 1.322 1.00 74.33 H new HETATM 0 H8 A2G A 119 27.234 22.032 1.025 1.00 74.33 H new HETATM 0 H6 A2G A 119 33.242 28.438 -0.874 1.00 15.11 H new HETATM 0 H5 A2G A 119 32.146 28.142 1.914 1.00 23.03 H new HETATM 0 H4 A2G A 119 33.480 26.289 1.831 1.00 42.01 H new HETATM 0 H3 A2G A 119 31.219 25.953 2.800 1.00 13.41 H new HETATM 0 H2 A2G A 119 30.355 25.284 -0.037 1.00 51.42 H new HETATM 0 H15 A2G A 119 33.622 30.580 -0.029 1.00 52.21 H new HETATM 0 H14 A2G A 119 34.245 28.411 0.563 1.00 15.11 H new HETATM 1875 C1 A2G A 120 34.379 25.408 -0.375 1.00 15.03 C HETATM 1876 C2 A2G A 120 34.652 25.424 -1.887 1.00 32.15 C HETATM 1877 C3 A2G A 120 33.779 24.340 -2.546 1.00 33.42 C HETATM 1878 C4 A2G A 120 34.157 22.903 -1.977 1.00 32.14 C HETATM 1879 C5 A2G A 120 34.091 22.915 -0.464 1.00 2.44 C HETATM 1880 C6 A2G A 120 34.499 21.624 0.259 1.00 42.02 C HETATM 1881 C7 A2G A 120 35.274 27.826 -2.205 1.00 63.21 C HETATM 1882 C8 A2G A 120 34.905 29.141 -2.916 1.00 24.04 C HETATM 1883 O A2G A 120 34.794 24.082 0.140 1.00 42.21 O HETATM 1884 O3 A2G A 120 33.890 24.388 -3.972 1.00 32.42 O HETATM 1885 O4 A2G A 120 35.543 22.596 -2.376 1.00 34.14 O HETATM 1886 O6 A2G A 120 34.631 21.850 1.665 1.00 22.31 O HETATM 1887 O7 A2G A 120 36.265 27.756 -1.496 1.00 50.42 O HETATM 1888 N2 A2G A 120 34.435 26.765 -2.447 1.00 44.35 N HETATM 0 HN2 A2G A 120 33.622 26.916 -3.044 1.00 44.35 H new HETATM 0 H8B A2G A 120 34.911 28.985 -3.995 1.00 24.04 H new HETATM 0 H8A A2G A 120 33.911 29.458 -2.601 1.00 24.04 H new HETATM 0 H8 A2G A 120 35.631 29.911 -2.656 1.00 24.04 H new HETATM 0 H6 A2G A 120 35.443 21.258 -0.145 1.00 42.02 H new HETATM 0 H5 A2G A 120 33.018 23.006 -0.295 1.00 2.44 H new HETATM 0 H4 A2G A 120 33.461 22.161 -2.369 1.00 32.14 H new HETATM 0 H3 A2G A 120 32.736 24.536 -2.297 1.00 33.42 H new HETATM 0 H2 A2G A 120 35.697 25.192 -2.092 1.00 32.15 H new HETATM 0 H15 A2G A 120 34.905 22.778 1.823 1.00 22.31 H new HETATM 0 H14 A2G A 120 33.753 20.850 0.079 1.00 42.02 H new HETATM 1901 C1 A2G A 121 35.778 21.205 -2.841 1.00 11.43 C HETATM 1902 C2 A2G A 121 37.262 20.852 -2.649 1.00 61.14 C HETATM 1903 C3 A2G A 121 38.103 21.847 -3.471 1.00 1.23 C HETATM 1904 C4 A2G A 121 37.749 21.729 -5.017 1.00 75.33 C HETATM 1905 C5 A2G A 121 36.254 21.872 -5.214 1.00 62.31 C HETATM 1906 C6 A2G A 121 35.726 21.710 -6.646 1.00 61.44 C HETATM 1907 C7 A2G A 121 37.495 19.706 -0.439 1.00 54.53 C HETATM 1908 C8 A2G A 121 37.898 19.883 1.037 1.00 72.11 C HETATM 1909 O A2G A 121 35.460 21.030 -4.277 1.00 60.22 O HETATM 1910 O3 A2G A 121 39.502 21.654 -3.235 1.00 21.03 O HETATM 1911 O4 A2G A 121 38.149 20.389 -5.483 1.00 61.44 O HETATM 1912 O6 A2G A 121 35.078 20.443 -6.807 1.00 2.21 O HETATM 1913 O7 A2G A 121 37.114 18.626 -0.856 1.00 43.24 O HETATM 1914 N2 A2G A 121 37.619 20.827 -1.225 1.00 35.24 N HETATM 0 HO3 A2G A 121 40.015 22.296 -3.769 1.00 21.03 H new HETATM 0 HN2 A2G A 121 37.976 21.682 -0.799 1.00 35.24 H new HETATM 0 H8B A2G A 121 38.944 20.184 1.095 1.00 72.11 H new HETATM 0 H8A A2G A 121 37.273 20.650 1.495 1.00 72.11 H new HETATM 0 H8 A2G A 121 37.762 18.940 1.567 1.00 72.11 H new HETATM 0 H6 A2G A 121 36.550 21.795 -7.354 1.00 61.44 H new HETATM 0 H5 A2G A 121 36.103 22.925 -4.975 1.00 62.31 H new HETATM 0 H4 A2G A 121 38.269 22.510 -5.572 1.00 75.33 H new HETATM 0 H3 A2G A 121 37.856 22.858 -3.147 1.00 1.23 H new HETATM 0 H2 A2G A 121 37.468 19.846 -3.014 1.00 61.14 H new HETATM 0 H15 A2G A 121 34.952 20.026 -5.929 1.00 2.21 H new HETATM 0 H14 A2G A 121 35.026 22.514 -6.874 1.00 61.44 H new HETATM 1928 C1 A2G A 122 38.926 20.360 -6.749 1.00 22.41 C HETATM 1929 C2 A2G A 122 39.006 18.913 -7.260 1.00 41.22 C HETATM 1930 C3 A2G A 122 39.697 18.058 -6.181 1.00 63.25 C HETATM 1931 C4 A2G A 122 41.176 18.585 -5.918 1.00 75.23 C HETATM 1932 C5 A2G A 122 41.145 20.067 -5.608 1.00 34.50 C HETATM 1933 C6 A2G A 122 42.498 20.759 -5.398 1.00 41.02 C HETATM 1934 C7 A2G A 122 37.447 17.669 -8.768 1.00 54.12 C HETATM 1935 C8 A2G A 122 35.974 17.309 -9.039 1.00 72.21 C HETATM 1936 O A2G A 122 40.315 20.845 -6.569 1.00 13.42 O HETATM 1937 O3 A2G A 122 39.689 16.672 -6.542 1.00 32.32 O HETATM 1938 O4 A2G A 122 41.963 18.388 -7.149 1.00 3.52 O HETATM 1939 O6 A2G A 122 42.988 20.525 -4.074 1.00 33.52 O HETATM 1940 O7 A2G A 122 38.330 17.288 -9.519 1.00 72.31 O HETATM 1941 N2 A2G A 122 37.677 18.412 -7.636 1.00 1.24 N HETATM 0 HO4 A2G A 122 41.861 19.170 -7.731 1.00 3.52 H new HETATM 0 HO3 A2G A 122 40.134 16.149 -5.843 1.00 32.32 H new HETATM 0 HN2 A2G A 122 36.887 18.626 -7.027 1.00 1.24 H new HETATM 0 H8B A2G A 122 35.583 16.726 -8.205 1.00 72.21 H new HETATM 0 H8A A2G A 122 35.390 18.223 -9.149 1.00 72.21 H new HETATM 0 H8 A2G A 122 35.905 16.723 -9.955 1.00 72.21 H new HETATM 0 H6 A2G A 122 42.394 21.831 -5.568 1.00 41.02 H new HETATM 0 H5 A2G A 122 40.670 20.074 -4.627 1.00 34.50 H new HETATM 0 H4 A2G A 122 41.614 18.043 -5.080 1.00 75.23 H new HETATM 0 H3 A2G A 122 39.136 18.154 -5.251 1.00 63.25 H new HETATM 0 H2 A2G A 122 39.602 18.860 -8.171 1.00 41.22 H new HETATM 0 H15 A2G A 122 43.852 20.973 -3.961 1.00 33.52 H new HETATM 0 H14 A2G A 122 43.218 20.389 -6.128 1.00 41.02 H new HETATM 1955 C2 BGC A 123 32.791 24.329 -6.160 1.00 14.41 C HETATM 1956 C3 BGC A 123 31.950 23.513 -7.164 1.00 13.13 C HETATM 1957 C4 BGC A 123 32.195 21.997 -7.053 1.00 65.14 C HETATM 1958 C5 BGC A 123 32.068 21.521 -5.595 1.00 74.12 C HETATM 1959 C6 BGC A 123 32.337 20.027 -5.370 1.00 43.50 C HETATM 1960 C1 BGC A 123 32.824 23.727 -4.740 1.00 55.34 C HETATM 1961 O2 BGC A 123 32.216 25.645 -6.062 1.00 23.03 O HETATM 1962 O3 BGC A 123 32.320 23.933 -8.490 1.00 22.20 O HETATM 1963 O4 BGC A 123 31.198 21.319 -7.836 1.00 75.01 O HETATM 1964 O5 BGC A 123 33.070 22.273 -4.814 1.00 4.02 O HETATM 1965 O6 BGC A 123 31.095 19.376 -5.070 1.00 34.44 O HETATM 0 H6C2 BGC A 123 32.789 19.587 -6.259 1.00 43.50 H new HETATM 0 H6C1 BGC A 123 33.043 19.889 -4.551 1.00 43.50 H new HETATM 0 HD BGC A 123 31.430 20.370 -7.910 1.00 75.01 H new HETATM 0 HC BGC A 123 31.800 23.428 -9.150 1.00 22.20 H new HETATM 0 HB BGC A 123 32.734 26.182 -5.427 1.00 23.03 H new HETATM 0 H6 BGC A 123 31.253 18.420 -4.926 1.00 34.44 H new HETATM 0 H5 BGC A 123 31.034 21.692 -5.295 1.00 74.12 H new HETATM 0 H4 BGC A 123 33.202 21.778 -7.409 1.00 65.14 H new HETATM 0 H3 BGC A 123 30.897 23.693 -6.947 1.00 13.13 H new HETATM 0 H2 BGC A 123 33.815 24.334 -6.535 1.00 14.41 H new