USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1238 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 119 LYS NZ :NH3+ 146:sc= 2.41 (180deg=-0.429) USER MOD Set 1.2: B 121 GLN : amide:sc= 0.917 K(o=3.3,f=-6.1) USER MOD Set 2.1: B 117 ASN : amide:sc= -0.148 X(o=-0.14,f=0) USER MOD Set 2.2: B 118 THR OG1 : rot 180:sc= 0.00394 USER MOD Set 3.1: A 48 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 3.2: B 103 ASN : amide:sc= -1.43! C(o=-1.8!,f=-9.3!) USER MOD Set 3.3: B 105 MET CE :methyl -156:sc= -0.416 (180deg=-1.27) USER MOD Set 4.1: B 99 LYS NZ :NH3+ 144:sc= 2.29 (180deg=-0.712) USER MOD Set 4.2: B 100 ASN : amide:sc= 0.319 K(o=2.6,f=-9.3!) USER MOD Set 5.1: B 59 TYR OH : rot -175:sc= 1.11 USER MOD Set 5.2: B 62 LYS NZ :NH3+ -164:sc= 1.31 (180deg=0) USER MOD Set 6.1: B 50 ASN : amide:sc= -0.683! C(o=1.5!,f=-6.9!) USER MOD Set 6.2: B 56 LYS NZ :NH3+ 172:sc= 2.23 (180deg=0.929) USER MOD Set 7.1: B 52 GLN : amide:sc= 0.285 K(o=1.1,f=-0.7) USER MOD Set 7.2: B 54 SER OG : rot -167:sc= 0.815 USER MOD Set 8.1: A 68 HIS : +bothHN:sc= 1.17 K(o=1.5,f=-7.9!) USER MOD Set 8.2: B 109 GLN : amide:sc= 0.375 K(o=1.5,f=-0.46) USER MOD Set 9.1: A 62 GLN : amide:sc= 0.96 K(o=2.2,f=-7.1!) USER MOD Set 9.2: A 63 LYS NZ :NH3+ -136:sc= 1.21 (180deg=0) USER MOD Single : A 1 MET CE :methyl -102:sc= -0.146 (180deg=-0.511) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.34 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 0.331 (180deg=0.0411) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 9 THR OG1 : rot -36:sc= 0.052 USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0847 (180deg=-0.487) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0632 USER MOD Single : A 25 ASN : amide:sc= 1.11 K(o=1.1,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.09 (180deg=0.57) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= 1.16 (180deg=0.577) USER MOD Single : A 40 GLN : amide:sc= 1.07 K(o=1.1,f=-0.022) USER MOD Single : A 41 GLN : amide:sc= -1.14! C(o=-1.1!,f=-7!) USER MOD Single : A 49 GLN : amide:sc= 0.782 K(o=0.78,f=-5.6!) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 57 SER OG : rot 76:sc= 0.0967 USER MOD Single : A 59 TYR OH : rot 30:sc= 2.11 USER MOD Single : A 60 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.2) USER MOD Single : A 65 SER OG : rot -91:sc= 0.162 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= -0.408 K(o=-0.41,f=-4.2!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= -0.863 USER MOD Single : B 73 ASN : amide:sc= 0.714 K(o=0.71,f=-5.5!) USER MOD Single : B 78 SER OG : rot 48:sc= 0.267 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 TYR OH : rot -21:sc= 1.24 USER MOD Single : B 84 ASN : amide:sc= 0.57 K(o=0.57,f=-0.12) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : B 86 SER OG : rot 180:sc= 0.0433 USER MOD Single : B 92 THR OG1 : rot -66:sc= 1.32 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= -0.0228 K(o=-0.023,f=-1.3) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 112 LYS NZ :NH3+ -117:sc= 2.1 (180deg=-0.482) USER MOD Single : B 122 MET CE :methyl 163:sc= -0.138 (180deg=-0.642) USER MOD Single : B 127 ASN : amide:sc= 0.016 K(o=0.016,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.087 6.130 -8.246 1.00 1.33 N ATOM 2 CA MET A 1 -18.723 6.662 -8.436 1.00 1.28 C ATOM 3 C MET A 1 -17.742 5.511 -8.628 1.00 1.15 C ATOM 4 O MET A 1 -18.020 4.383 -8.224 1.00 1.19 O ATOM 5 CB MET A 1 -18.319 7.536 -7.243 1.00 1.53 C ATOM 6 CG MET A 1 -17.993 6.758 -5.978 1.00 1.58 C ATOM 7 SD MET A 1 -16.226 6.723 -5.640 1.00 1.88 S ATOM 8 CE MET A 1 -15.913 8.451 -5.277 1.00 1.44 C ATOM 0 H1 MET A 1 -20.570 6.672 -7.501 1.00 1.33 H new ATOM 0 H2 MET A 1 -20.619 6.214 -9.136 1.00 1.33 H new ATOM 0 H3 MET A 1 -20.034 5.130 -7.967 1.00 1.33 H new ATOM 0 HA MET A 1 -18.704 7.286 -9.330 1.00 1.28 H new ATOM 0 HB2 MET A 1 -17.451 8.132 -7.522 1.00 1.53 H new ATOM 0 HB3 MET A 1 -19.129 8.233 -7.028 1.00 1.53 H new ATOM 0 HG2 MET A 1 -18.514 7.207 -5.133 1.00 1.58 H new ATOM 0 HG3 MET A 1 -18.363 5.737 -6.075 1.00 1.58 H new ATOM 0 HE1 MET A 1 -15.454 8.927 -6.143 1.00 1.44 H new ATOM 0 HE2 MET A 1 -16.854 8.950 -5.045 1.00 1.44 H new ATOM 0 HE3 MET A 1 -15.241 8.527 -4.422 1.00 1.44 H new ATOM 20 N GLN A 2 -16.605 5.791 -9.247 1.00 1.16 N ATOM 21 CA GLN A 2 -15.610 4.764 -9.501 1.00 1.06 C ATOM 22 C GLN A 2 -14.275 5.106 -8.846 1.00 1.00 C ATOM 23 O GLN A 2 -13.831 6.259 -8.871 1.00 1.13 O ATOM 24 CB GLN A 2 -15.420 4.591 -11.007 1.00 1.18 C ATOM 25 CG GLN A 2 -14.545 3.410 -11.384 1.00 1.27 C ATOM 26 CD GLN A 2 -14.216 3.389 -12.858 1.00 1.41 C ATOM 27 OE1 GLN A 2 -13.228 3.983 -13.289 1.00 1.59 O ATOM 28 NE2 GLN A 2 -15.046 2.721 -13.642 1.00 1.75 N ATOM 0 H GLN A 2 -16.350 6.720 -9.582 1.00 1.16 H new ATOM 0 HA GLN A 2 -15.968 3.831 -9.066 1.00 1.06 H new ATOM 0 HB2 GLN A 2 -16.397 4.471 -11.475 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -14.981 5.501 -11.415 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -13.620 3.447 -10.808 1.00 1.27 H new ATOM 0 HG3 GLN A 2 -15.052 2.484 -11.114 1.00 1.27 H new ATOM 0 HE21 GLN A 2 -15.853 2.243 -13.241 1.00 1.75 H new ATOM 0 HE22 GLN A 2 -14.879 2.684 -14.648 1.00 1.75 H new ATOM 37 N ILE A 3 -13.646 4.094 -8.264 1.00 0.88 N ATOM 38 CA ILE A 3 -12.356 4.261 -7.609 1.00 0.82 C ATOM 39 C ILE A 3 -11.341 3.283 -8.186 1.00 0.81 C ATOM 40 O ILE A 3 -11.710 2.287 -8.813 1.00 0.85 O ATOM 41 CB ILE A 3 -12.427 4.050 -6.077 1.00 0.75 C ATOM 42 CG1 ILE A 3 -13.086 2.703 -5.723 1.00 0.68 C ATOM 43 CG2 ILE A 3 -13.156 5.210 -5.410 1.00 0.82 C ATOM 44 CD1 ILE A 3 -14.595 2.757 -5.584 1.00 1.10 C ATOM 0 H ILE A 3 -14.012 3.142 -8.232 1.00 0.88 H new ATOM 0 HA ILE A 3 -12.050 5.291 -7.795 1.00 0.82 H new ATOM 0 HB ILE A 3 -11.407 4.022 -5.695 1.00 0.75 H new ATOM 0 HG12 ILE A 3 -12.831 1.975 -6.493 1.00 0.68 H new ATOM 0 HG13 ILE A 3 -12.661 2.340 -4.787 1.00 0.68 H new ATOM 0 HG21 ILE A 3 -13.196 5.044 -4.333 1.00 0.82 H new ATOM 0 HG22 ILE A 3 -12.624 6.139 -5.614 1.00 0.82 H new ATOM 0 HG23 ILE A 3 -14.170 5.278 -5.805 1.00 0.82 H new ATOM 0 HD11 ILE A 3 -14.973 1.766 -5.334 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -14.863 3.457 -4.793 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -15.035 3.087 -6.525 1.00 1.10 H new ATOM 56 N PHE A 4 -10.063 3.568 -7.975 1.00 0.80 N ATOM 57 CA PHE A 4 -9.005 2.705 -8.468 1.00 0.81 C ATOM 58 C PHE A 4 -8.247 2.088 -7.302 1.00 0.75 C ATOM 59 O PHE A 4 -7.447 2.756 -6.646 1.00 0.82 O ATOM 60 CB PHE A 4 -8.043 3.483 -9.369 1.00 0.87 C ATOM 61 CG PHE A 4 -8.669 3.959 -10.647 1.00 0.99 C ATOM 62 CD1 PHE A 4 -9.349 3.078 -11.473 1.00 1.30 C ATOM 63 CD2 PHE A 4 -8.581 5.289 -11.023 1.00 1.00 C ATOM 64 CE1 PHE A 4 -9.927 3.513 -12.647 1.00 1.45 C ATOM 65 CE2 PHE A 4 -9.157 5.730 -12.198 1.00 1.14 C ATOM 66 CZ PHE A 4 -9.833 4.841 -13.010 1.00 1.30 C ATOM 0 H PHE A 4 -9.737 4.390 -7.466 1.00 0.80 H new ATOM 0 HA PHE A 4 -9.459 1.909 -9.058 1.00 0.81 H new ATOM 0 HB2 PHE A 4 -7.659 4.343 -8.820 1.00 0.87 H new ATOM 0 HB3 PHE A 4 -7.188 2.849 -9.607 1.00 0.87 H new ATOM 0 HD1 PHE A 4 -9.427 2.038 -11.194 1.00 1.30 H new ATOM 0 HD2 PHE A 4 -8.056 5.989 -10.390 1.00 1.00 H new ATOM 0 HE1 PHE A 4 -10.453 2.815 -13.282 1.00 1.45 H new ATOM 0 HE2 PHE A 4 -9.079 6.769 -12.482 1.00 1.14 H new ATOM 0 HZ PHE A 4 -10.287 5.184 -13.928 1.00 1.30 H new ATOM 76 N VAL A 5 -8.518 0.822 -7.037 1.00 0.66 N ATOM 77 CA VAL A 5 -7.859 0.121 -5.950 1.00 0.60 C ATOM 78 C VAL A 5 -6.704 -0.726 -6.486 1.00 0.60 C ATOM 79 O VAL A 5 -6.886 -1.576 -7.355 1.00 0.67 O ATOM 80 CB VAL A 5 -8.856 -0.752 -5.146 1.00 0.60 C ATOM 81 CG1 VAL A 5 -9.613 -1.715 -6.047 1.00 0.71 C ATOM 82 CG2 VAL A 5 -8.142 -1.509 -4.038 1.00 0.56 C ATOM 0 H VAL A 5 -9.189 0.259 -7.559 1.00 0.66 H new ATOM 0 HA VAL A 5 -7.456 0.868 -5.266 1.00 0.60 H new ATOM 0 HB VAL A 5 -9.584 -0.079 -4.693 1.00 0.60 H new ATOM 0 HG11 VAL A 5 -10.302 -2.309 -5.447 1.00 0.71 H new ATOM 0 HG12 VAL A 5 -10.174 -1.151 -6.792 1.00 0.71 H new ATOM 0 HG13 VAL A 5 -8.906 -2.376 -6.549 1.00 0.71 H new ATOM 0 HG21 VAL A 5 -8.863 -2.114 -3.488 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -7.380 -2.157 -4.472 1.00 0.56 H new ATOM 0 HG23 VAL A 5 -7.670 -0.800 -3.358 1.00 0.56 H new ATOM 92 N LYS A 6 -5.508 -0.454 -5.989 1.00 0.58 N ATOM 93 CA LYS A 6 -4.326 -1.182 -6.418 1.00 0.63 C ATOM 94 C LYS A 6 -3.866 -2.148 -5.337 1.00 0.62 C ATOM 95 O LYS A 6 -3.839 -1.804 -4.153 1.00 0.59 O ATOM 96 CB LYS A 6 -3.196 -0.210 -6.764 1.00 0.69 C ATOM 97 CG LYS A 6 -3.591 0.851 -7.781 1.00 1.21 C ATOM 98 CD LYS A 6 -2.442 1.806 -8.060 1.00 1.24 C ATOM 99 CE LYS A 6 -2.890 2.977 -8.920 1.00 1.27 C ATOM 100 NZ LYS A 6 -1.803 3.972 -9.116 1.00 1.38 N ATOM 0 H LYS A 6 -5.331 0.266 -5.288 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.586 -1.754 -7.309 1.00 0.63 H new ATOM 0 HB2 LYS A 6 -2.860 0.282 -5.851 1.00 0.69 H new ATOM 0 HB3 LYS A 6 -2.349 -0.775 -7.152 1.00 0.69 H new ATOM 0 HG2 LYS A 6 -3.900 0.370 -8.709 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.450 1.411 -7.410 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -2.039 2.178 -7.118 1.00 1.24 H new ATOM 0 HD3 LYS A 6 -1.636 1.271 -8.562 1.00 1.24 H new ATOM 0 HE2 LYS A 6 -3.223 2.608 -9.890 1.00 1.27 H new ATOM 0 HE3 LYS A 6 -3.747 3.463 -8.453 1.00 1.27 H new ATOM 0 HZ1 LYS A 6 -2.030 4.579 -9.929 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -1.711 4.558 -8.262 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -0.906 3.476 -9.294 1.00 1.38 H new ATOM 114 N THR A 7 -3.520 -3.359 -5.747 1.00 0.66 N ATOM 115 CA THR A 7 -3.051 -4.376 -4.823 1.00 0.67 C ATOM 116 C THR A 7 -1.555 -4.211 -4.540 1.00 0.73 C ATOM 117 O THR A 7 -0.949 -3.213 -4.937 1.00 0.74 O ATOM 118 CB THR A 7 -3.313 -5.780 -5.386 1.00 0.71 C ATOM 119 OG1 THR A 7 -3.722 -5.685 -6.758 1.00 0.96 O ATOM 120 CG2 THR A 7 -4.386 -6.494 -4.579 1.00 0.94 C ATOM 0 H THR A 7 -3.556 -3.661 -6.721 1.00 0.66 H new ATOM 0 HA THR A 7 -3.602 -4.255 -3.890 1.00 0.67 H new ATOM 0 HB THR A 7 -2.390 -6.356 -5.320 1.00 0.71 H new ATOM 0 HG1 THR A 7 -3.887 -6.583 -7.113 1.00 0.96 H new ATOM 0 HG21 THR A 7 -4.555 -7.487 -4.996 1.00 0.94 H new ATOM 0 HG22 THR A 7 -4.061 -6.586 -3.543 1.00 0.94 H new ATOM 0 HG23 THR A 7 -5.313 -5.921 -4.619 1.00 0.94 H new ATOM 128 N LEU A 8 -0.961 -5.199 -3.876 1.00 0.81 N ATOM 129 CA LEU A 8 0.460 -5.158 -3.532 1.00 0.90 C ATOM 130 C LEU A 8 1.344 -5.132 -4.778 1.00 0.96 C ATOM 131 O LEU A 8 2.385 -4.479 -4.794 1.00 1.02 O ATOM 132 CB LEU A 8 0.827 -6.360 -2.655 1.00 0.98 C ATOM 133 CG LEU A 8 2.266 -6.368 -2.125 1.00 1.11 C ATOM 134 CD1 LEU A 8 2.488 -5.207 -1.170 1.00 1.20 C ATOM 135 CD2 LEU A 8 2.578 -7.692 -1.441 1.00 1.24 C ATOM 0 H LEU A 8 -1.443 -6.042 -3.564 1.00 0.81 H new ATOM 0 HA LEU A 8 0.638 -4.236 -2.978 1.00 0.90 H new ATOM 0 HB2 LEU A 8 0.144 -6.392 -1.806 1.00 0.98 H new ATOM 0 HB3 LEU A 8 0.664 -7.272 -3.230 1.00 0.98 H new ATOM 0 HG LEU A 8 2.944 -6.252 -2.970 1.00 1.11 H new ATOM 0 HD11 LEU A 8 3.514 -5.228 -0.804 1.00 1.20 H new ATOM 0 HD12 LEU A 8 2.308 -4.267 -1.692 1.00 1.20 H new ATOM 0 HD13 LEU A 8 1.801 -5.292 -0.328 1.00 1.20 H new ATOM 0 HD21 LEU A 8 3.603 -7.678 -1.072 1.00 1.24 H new ATOM 0 HD22 LEU A 8 1.894 -7.840 -0.606 1.00 1.24 H new ATOM 0 HD23 LEU A 8 2.461 -8.507 -2.155 1.00 1.24 H new ATOM 147 N THR A 9 0.923 -5.832 -5.827 1.00 0.98 N ATOM 148 CA THR A 9 1.695 -5.877 -7.062 1.00 1.08 C ATOM 149 C THR A 9 1.483 -4.607 -7.895 1.00 1.09 C ATOM 150 O THR A 9 2.156 -4.396 -8.906 1.00 1.26 O ATOM 151 CB THR A 9 1.335 -7.123 -7.907 1.00 1.14 C ATOM 152 OG1 THR A 9 2.384 -7.412 -8.838 1.00 1.25 O ATOM 153 CG2 THR A 9 0.028 -6.925 -8.665 1.00 1.12 C ATOM 0 H THR A 9 0.058 -6.372 -5.846 1.00 0.98 H new ATOM 0 HA THR A 9 2.746 -5.940 -6.780 1.00 1.08 H new ATOM 0 HB THR A 9 1.212 -7.960 -7.220 1.00 1.14 H new ATOM 0 HG1 THR A 9 2.773 -6.573 -9.163 1.00 1.25 H new ATOM 0 HG21 THR A 9 -0.194 -7.819 -9.248 1.00 1.12 H new ATOM 0 HG22 THR A 9 -0.780 -6.744 -7.956 1.00 1.12 H new ATOM 0 HG23 THR A 9 0.122 -6.070 -9.334 1.00 1.12 H new ATOM 161 N GLY A 10 0.555 -3.761 -7.460 1.00 0.96 N ATOM 162 CA GLY A 10 0.277 -2.533 -8.179 1.00 1.01 C ATOM 163 C GLY A 10 -0.823 -2.700 -9.210 1.00 0.98 C ATOM 164 O GLY A 10 -1.064 -1.806 -10.022 1.00 1.12 O ATOM 0 H GLY A 10 -0.009 -3.904 -6.622 1.00 0.96 H new ATOM 0 HA2 GLY A 10 -0.010 -1.757 -7.469 1.00 1.01 H new ATOM 0 HA3 GLY A 10 1.186 -2.192 -8.674 1.00 1.01 H new ATOM 168 N LYS A 11 -1.490 -3.848 -9.184 1.00 0.97 N ATOM 169 CA LYS A 11 -2.572 -4.121 -10.120 1.00 0.94 C ATOM 170 C LYS A 11 -3.750 -3.202 -9.830 1.00 0.88 C ATOM 171 O LYS A 11 -4.260 -3.173 -8.712 1.00 0.93 O ATOM 172 CB LYS A 11 -3.005 -5.585 -10.031 1.00 0.93 C ATOM 173 CG LYS A 11 -3.985 -5.991 -11.119 1.00 1.18 C ATOM 174 CD LYS A 11 -4.317 -7.471 -11.051 1.00 1.26 C ATOM 175 CE LYS A 11 -5.154 -7.902 -12.244 1.00 1.59 C ATOM 176 NZ LYS A 11 -4.440 -7.686 -13.531 1.00 2.04 N ATOM 0 H LYS A 11 -1.300 -4.603 -8.525 1.00 0.97 H new ATOM 0 HA LYS A 11 -2.215 -3.932 -11.132 1.00 0.94 H new ATOM 0 HB2 LYS A 11 -2.122 -6.222 -10.091 1.00 0.93 H new ATOM 0 HB3 LYS A 11 -3.461 -5.763 -9.057 1.00 0.93 H new ATOM 0 HG2 LYS A 11 -4.900 -5.408 -11.020 1.00 1.18 H new ATOM 0 HG3 LYS A 11 -3.562 -5.757 -12.096 1.00 1.18 H new ATOM 0 HD2 LYS A 11 -3.395 -8.052 -11.021 1.00 1.26 H new ATOM 0 HD3 LYS A 11 -4.858 -7.683 -10.129 1.00 1.26 H new ATOM 0 HE2 LYS A 11 -5.412 -8.956 -12.145 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -6.091 -7.344 -12.251 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -4.869 -8.280 -14.270 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -4.513 -6.685 -13.805 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 -3.438 -7.942 -13.419 1.00 2.04 H new ATOM 190 N THR A 12 -4.164 -2.450 -10.835 1.00 0.85 N ATOM 191 CA THR A 12 -5.266 -1.516 -10.686 1.00 0.84 C ATOM 192 C THR A 12 -6.602 -2.194 -10.980 1.00 0.83 C ATOM 193 O THR A 12 -6.934 -2.468 -12.133 1.00 0.94 O ATOM 194 CB THR A 12 -5.076 -0.310 -11.621 1.00 0.94 C ATOM 195 OG1 THR A 12 -3.685 0.055 -11.656 1.00 1.01 O ATOM 196 CG2 THR A 12 -5.907 0.877 -11.154 1.00 0.92 C ATOM 0 H THR A 12 -3.751 -2.469 -11.767 1.00 0.85 H new ATOM 0 HA THR A 12 -5.274 -1.169 -9.653 1.00 0.84 H new ATOM 0 HB THR A 12 -5.410 -0.590 -12.620 1.00 0.94 H new ATOM 0 HG1 THR A 12 -3.563 0.822 -12.253 1.00 1.01 H new ATOM 0 HG21 THR A 12 -5.755 1.717 -11.832 1.00 0.92 H new ATOM 0 HG22 THR A 12 -6.962 0.602 -11.147 1.00 0.92 H new ATOM 0 HG23 THR A 12 -5.600 1.163 -10.148 1.00 0.92 H new ATOM 204 N ILE A 13 -7.355 -2.474 -9.925 1.00 0.75 N ATOM 205 CA ILE A 13 -8.654 -3.115 -10.061 1.00 0.76 C ATOM 206 C ILE A 13 -9.755 -2.062 -10.128 1.00 0.76 C ATOM 207 O ILE A 13 -9.794 -1.134 -9.316 1.00 0.75 O ATOM 208 CB ILE A 13 -8.936 -4.079 -8.888 1.00 0.75 C ATOM 209 CG1 ILE A 13 -7.700 -4.939 -8.602 1.00 0.75 C ATOM 210 CG2 ILE A 13 -10.142 -4.960 -9.203 1.00 0.82 C ATOM 211 CD1 ILE A 13 -7.792 -5.725 -7.311 1.00 0.85 C ATOM 0 H ILE A 13 -7.087 -2.266 -8.963 1.00 0.75 H new ATOM 0 HA ILE A 13 -8.641 -3.694 -10.985 1.00 0.76 H new ATOM 0 HB ILE A 13 -9.163 -3.492 -7.998 1.00 0.75 H new ATOM 0 HG12 ILE A 13 -7.551 -5.633 -9.430 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -6.821 -4.295 -8.564 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -10.328 -5.634 -8.367 1.00 0.82 H new ATOM 0 HG22 ILE A 13 -11.018 -4.333 -9.366 1.00 0.82 H new ATOM 0 HG23 ILE A 13 -9.942 -5.543 -10.102 1.00 0.82 H new ATOM 0 HD11 ILE A 13 -6.882 -6.310 -7.175 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -7.910 -5.037 -6.474 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.651 -6.395 -7.353 1.00 0.85 H new ATOM 223 N THR A 14 -10.632 -2.199 -11.107 1.00 0.83 N ATOM 224 CA THR A 14 -11.726 -1.263 -11.285 1.00 0.86 C ATOM 225 C THR A 14 -12.904 -1.624 -10.384 1.00 0.83 C ATOM 226 O THR A 14 -13.369 -2.764 -10.386 1.00 0.89 O ATOM 227 CB THR A 14 -12.189 -1.241 -12.752 1.00 1.01 C ATOM 228 OG1 THR A 14 -11.175 -1.813 -13.594 1.00 1.16 O ATOM 229 CG2 THR A 14 -12.482 0.180 -13.205 1.00 1.39 C ATOM 0 H THR A 14 -10.607 -2.953 -11.793 1.00 0.83 H new ATOM 0 HA THR A 14 -11.362 -0.273 -11.010 1.00 0.86 H new ATOM 0 HB THR A 14 -13.104 -1.828 -12.830 1.00 1.01 H new ATOM 0 HG1 THR A 14 -11.477 -1.797 -14.526 1.00 1.16 H new ATOM 0 HG21 THR A 14 -12.808 0.170 -14.245 1.00 1.39 H new ATOM 0 HG22 THR A 14 -13.269 0.605 -12.582 1.00 1.39 H new ATOM 0 HG23 THR A 14 -11.580 0.785 -13.113 1.00 1.39 H new ATOM 237 N LEU A 15 -13.368 -0.658 -9.604 1.00 0.81 N ATOM 238 CA LEU A 15 -14.491 -0.878 -8.706 1.00 0.81 C ATOM 239 C LEU A 15 -15.516 0.241 -8.850 1.00 0.88 C ATOM 240 O LEU A 15 -15.189 1.422 -8.707 1.00 0.89 O ATOM 241 CB LEU A 15 -14.002 -0.965 -7.258 1.00 0.76 C ATOM 242 CG LEU A 15 -14.441 -2.216 -6.485 1.00 0.80 C ATOM 243 CD1 LEU A 15 -15.959 -2.291 -6.395 1.00 0.99 C ATOM 244 CD2 LEU A 15 -13.880 -3.476 -7.136 1.00 0.85 C ATOM 0 H LEU A 15 -12.983 0.286 -9.575 1.00 0.81 H new ATOM 0 HA LEU A 15 -14.968 -1.821 -8.972 1.00 0.81 H new ATOM 0 HB2 LEU A 15 -12.913 -0.923 -7.258 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -14.355 -0.085 -6.720 1.00 0.76 H new ATOM 0 HG LEU A 15 -14.042 -2.146 -5.473 1.00 0.80 H new ATOM 0 HD11 LEU A 15 -16.247 -3.186 -5.843 1.00 0.99 H new ATOM 0 HD12 LEU A 15 -16.337 -1.409 -5.879 1.00 0.99 H new ATOM 0 HD13 LEU A 15 -16.381 -2.332 -7.399 1.00 0.99 H new ATOM 0 HD21 LEU A 15 -14.203 -4.351 -6.573 1.00 0.85 H new ATOM 0 HD22 LEU A 15 -14.244 -3.549 -8.161 1.00 0.85 H new ATOM 0 HD23 LEU A 15 -12.791 -3.429 -7.141 1.00 0.85 H new ATOM 256 N GLU A 16 -16.750 -0.138 -9.157 1.00 0.98 N ATOM 257 CA GLU A 16 -17.835 0.813 -9.322 1.00 1.07 C ATOM 258 C GLU A 16 -18.896 0.600 -8.238 1.00 1.06 C ATOM 259 O GLU A 16 -19.447 -0.497 -8.094 1.00 1.07 O ATOM 260 CB GLU A 16 -18.452 0.693 -10.733 1.00 1.19 C ATOM 261 CG GLU A 16 -19.057 -0.673 -11.058 1.00 1.26 C ATOM 262 CD GLU A 16 -18.017 -1.753 -11.289 1.00 1.29 C ATOM 263 OE1 GLU A 16 -17.569 -1.923 -12.444 1.00 1.35 O ATOM 264 OE2 GLU A 16 -17.642 -2.443 -10.315 1.00 1.32 O ATOM 0 H GLU A 16 -17.024 -1.111 -9.298 1.00 0.98 H new ATOM 0 HA GLU A 16 -17.436 1.822 -9.215 1.00 1.07 H new ATOM 0 HB2 GLU A 16 -19.227 1.452 -10.840 1.00 1.19 H new ATOM 0 HB3 GLU A 16 -17.682 0.918 -11.471 1.00 1.19 H new ATOM 0 HG2 GLU A 16 -19.710 -0.977 -10.240 1.00 1.26 H new ATOM 0 HG3 GLU A 16 -19.681 -0.584 -11.947 1.00 1.26 H new ATOM 271 N VAL A 17 -19.151 1.640 -7.452 1.00 1.05 N ATOM 272 CA VAL A 17 -20.139 1.569 -6.378 1.00 1.06 C ATOM 273 C VAL A 17 -20.895 2.885 -6.245 1.00 1.12 C ATOM 274 O VAL A 17 -20.471 3.912 -6.779 1.00 1.18 O ATOM 275 CB VAL A 17 -19.493 1.234 -5.013 1.00 0.99 C ATOM 276 CG1 VAL A 17 -19.205 -0.253 -4.898 1.00 1.05 C ATOM 277 CG2 VAL A 17 -18.223 2.047 -4.802 1.00 0.92 C ATOM 0 H VAL A 17 -18.687 2.544 -7.537 1.00 1.05 H new ATOM 0 HA VAL A 17 -20.827 0.768 -6.648 1.00 1.06 H new ATOM 0 HB VAL A 17 -20.203 1.502 -4.230 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -18.751 -0.462 -3.929 1.00 1.05 H new ATOM 0 HG12 VAL A 17 -20.136 -0.812 -4.991 1.00 1.05 H new ATOM 0 HG13 VAL A 17 -18.521 -0.554 -5.692 1.00 1.05 H new ATOM 0 HG21 VAL A 17 -17.786 1.795 -3.836 1.00 0.92 H new ATOM 0 HG22 VAL A 17 -17.509 1.819 -5.594 1.00 0.92 H new ATOM 0 HG23 VAL A 17 -18.463 3.110 -4.825 1.00 0.92 H new ATOM 287 N GLU A 18 -22.008 2.854 -5.530 1.00 1.15 N ATOM 288 CA GLU A 18 -22.812 4.048 -5.327 1.00 1.20 C ATOM 289 C GLU A 18 -22.182 4.935 -4.259 1.00 1.10 C ATOM 290 O GLU A 18 -21.488 4.445 -3.375 1.00 1.08 O ATOM 291 CB GLU A 18 -24.235 3.663 -4.915 1.00 1.39 C ATOM 292 CG GLU A 18 -25.037 3.006 -6.026 1.00 1.59 C ATOM 293 CD GLU A 18 -24.978 3.784 -7.325 1.00 1.73 C ATOM 294 OE1 GLU A 18 -25.328 4.984 -7.324 1.00 1.86 O ATOM 295 OE2 GLU A 18 -24.579 3.198 -8.354 1.00 1.92 O ATOM 0 H GLU A 18 -22.375 2.015 -5.081 1.00 1.15 H new ATOM 0 HA GLU A 18 -22.853 4.603 -6.264 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -24.186 2.984 -4.064 1.00 1.39 H new ATOM 0 HB3 GLU A 18 -24.761 4.557 -4.579 1.00 1.39 H new ATOM 0 HG2 GLU A 18 -24.660 1.997 -6.194 1.00 1.59 H new ATOM 0 HG3 GLU A 18 -26.076 2.910 -5.711 1.00 1.59 H new ATOM 302 N PRO A 19 -22.403 6.251 -4.327 1.00 1.10 N ATOM 303 CA PRO A 19 -21.857 7.191 -3.342 1.00 1.06 C ATOM 304 C PRO A 19 -22.452 6.955 -1.955 1.00 1.10 C ATOM 305 O PRO A 19 -21.822 7.239 -0.932 1.00 1.13 O ATOM 306 CB PRO A 19 -22.271 8.564 -3.883 1.00 1.13 C ATOM 307 CG PRO A 19 -23.428 8.290 -4.781 1.00 1.32 C ATOM 308 CD PRO A 19 -23.186 6.932 -5.372 1.00 1.21 C ATOM 0 HA PRO A 19 -20.779 7.086 -3.220 1.00 1.06 H new ATOM 0 HB2 PRO A 19 -22.550 9.239 -3.074 1.00 1.13 H new ATOM 0 HB3 PRO A 19 -21.453 9.038 -4.426 1.00 1.13 H new ATOM 0 HG2 PRO A 19 -24.366 8.311 -4.226 1.00 1.32 H new ATOM 0 HG3 PRO A 19 -23.503 9.047 -5.562 1.00 1.32 H new ATOM 0 HD2 PRO A 19 -24.120 6.410 -5.581 1.00 1.21 H new ATOM 0 HD3 PRO A 19 -22.638 6.993 -6.312 1.00 1.21 H new ATOM 316 N SER A 20 -23.664 6.416 -1.935 1.00 1.16 N ATOM 317 CA SER A 20 -24.363 6.125 -0.699 1.00 1.26 C ATOM 318 C SER A 20 -24.110 4.680 -0.268 1.00 1.22 C ATOM 319 O SER A 20 -24.652 4.216 0.737 1.00 1.29 O ATOM 320 CB SER A 20 -25.859 6.370 -0.891 1.00 1.42 C ATOM 321 OG SER A 20 -26.087 7.437 -1.802 1.00 1.50 O ATOM 0 H SER A 20 -24.186 6.170 -2.776 1.00 1.16 H new ATOM 0 HA SER A 20 -23.990 6.783 0.086 1.00 1.26 H new ATOM 0 HB2 SER A 20 -26.335 5.462 -1.262 1.00 1.42 H new ATOM 0 HB3 SER A 20 -26.319 6.602 0.069 1.00 1.42 H new ATOM 0 HG SER A 20 -27.051 7.574 -1.910 1.00 1.50 H new ATOM 327 N ASP A 21 -23.283 3.974 -1.036 1.00 1.13 N ATOM 328 CA ASP A 21 -22.951 2.587 -0.736 1.00 1.09 C ATOM 329 C ASP A 21 -22.007 2.542 0.452 1.00 1.02 C ATOM 330 O ASP A 21 -21.118 3.391 0.578 1.00 1.03 O ATOM 331 CB ASP A 21 -22.288 1.903 -1.941 1.00 1.08 C ATOM 332 CG ASP A 21 -23.119 0.770 -2.512 1.00 1.32 C ATOM 333 OD1 ASP A 21 -23.647 -0.043 -1.725 1.00 1.46 O ATOM 334 OD2 ASP A 21 -23.236 0.680 -3.758 1.00 1.65 O ATOM 0 H ASP A 21 -22.830 4.343 -1.872 1.00 1.13 H new ATOM 0 HA ASP A 21 -23.873 2.054 -0.504 1.00 1.09 H new ATOM 0 HB2 ASP A 21 -22.111 2.644 -2.720 1.00 1.08 H new ATOM 0 HB3 ASP A 21 -21.314 1.516 -1.641 1.00 1.08 H new ATOM 339 N THR A 22 -22.207 1.583 1.332 1.00 0.97 N ATOM 340 CA THR A 22 -21.357 1.443 2.496 1.00 0.92 C ATOM 341 C THR A 22 -20.062 0.727 2.120 1.00 0.81 C ATOM 342 O THR A 22 -20.048 -0.101 1.205 1.00 0.79 O ATOM 343 CB THR A 22 -22.079 0.674 3.613 1.00 0.96 C ATOM 344 OG1 THR A 22 -22.938 -0.322 3.043 1.00 1.12 O ATOM 345 CG2 THR A 22 -22.899 1.619 4.477 1.00 1.03 C ATOM 0 H THR A 22 -22.951 0.889 1.263 1.00 0.97 H new ATOM 0 HA THR A 22 -21.118 2.440 2.865 1.00 0.92 H new ATOM 0 HB THR A 22 -21.327 0.193 4.239 1.00 0.96 H new ATOM 0 HG1 THR A 22 -23.394 -0.810 3.760 1.00 1.12 H new ATOM 0 HG21 THR A 22 -23.401 1.052 5.261 1.00 1.03 H new ATOM 0 HG22 THR A 22 -22.241 2.361 4.930 1.00 1.03 H new ATOM 0 HG23 THR A 22 -23.643 2.123 3.860 1.00 1.03 H new ATOM 353 N ILE A 23 -18.981 1.050 2.822 1.00 0.76 N ATOM 354 CA ILE A 23 -17.678 0.446 2.553 1.00 0.66 C ATOM 355 C ILE A 23 -17.751 -1.083 2.599 1.00 0.64 C ATOM 356 O ILE A 23 -17.089 -1.762 1.817 1.00 0.58 O ATOM 357 CB ILE A 23 -16.602 0.959 3.539 1.00 0.63 C ATOM 358 CG1 ILE A 23 -16.421 2.474 3.387 1.00 0.66 C ATOM 359 CG2 ILE A 23 -15.276 0.235 3.327 1.00 0.57 C ATOM 360 CD1 ILE A 23 -15.983 2.906 2.004 1.00 0.66 C ATOM 0 H ILE A 23 -18.980 1.728 3.584 1.00 0.76 H new ATOM 0 HA ILE A 23 -17.389 0.746 1.546 1.00 0.66 H new ATOM 0 HB ILE A 23 -16.940 0.748 4.554 1.00 0.63 H new ATOM 0 HG12 ILE A 23 -17.362 2.968 3.630 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -15.684 2.816 4.114 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -14.537 0.615 4.033 1.00 0.57 H new ATOM 0 HG22 ILE A 23 -15.415 -0.834 3.488 1.00 0.57 H new ATOM 0 HG23 ILE A 23 -14.927 0.406 2.309 1.00 0.57 H new ATOM 0 HD11 ILE A 23 -15.877 3.991 1.978 1.00 0.66 H new ATOM 0 HD12 ILE A 23 -15.026 2.442 1.764 1.00 0.66 H new ATOM 0 HD13 ILE A 23 -16.730 2.597 1.273 1.00 0.66 H new ATOM 372 N GLU A 24 -18.583 -1.616 3.494 1.00 0.72 N ATOM 373 CA GLU A 24 -18.747 -3.064 3.623 1.00 0.74 C ATOM 374 C GLU A 24 -19.219 -3.680 2.305 1.00 0.74 C ATOM 375 O GLU A 24 -18.756 -4.750 1.910 1.00 0.74 O ATOM 376 CB GLU A 24 -19.735 -3.407 4.743 1.00 0.85 C ATOM 377 CG GLU A 24 -21.027 -2.610 4.693 1.00 0.98 C ATOM 378 CD GLU A 24 -21.915 -2.861 5.892 1.00 1.04 C ATOM 379 OE1 GLU A 24 -22.066 -4.034 6.293 1.00 1.16 O ATOM 380 OE2 GLU A 24 -22.481 -1.891 6.432 1.00 1.71 O ATOM 0 H GLU A 24 -19.153 -1.068 4.139 1.00 0.72 H new ATOM 0 HA GLU A 24 -17.774 -3.484 3.876 1.00 0.74 H new ATOM 0 HB2 GLU A 24 -19.973 -4.469 4.690 1.00 0.85 H new ATOM 0 HB3 GLU A 24 -19.252 -3.236 5.705 1.00 0.85 H new ATOM 0 HG2 GLU A 24 -20.791 -1.547 4.637 1.00 0.98 H new ATOM 0 HG3 GLU A 24 -21.571 -2.865 3.783 1.00 0.98 H new ATOM 387 N ASN A 25 -20.115 -2.982 1.610 1.00 0.79 N ATOM 388 CA ASN A 25 -20.635 -3.474 0.338 1.00 0.82 C ATOM 389 C ASN A 25 -19.558 -3.385 -0.735 1.00 0.74 C ATOM 390 O ASN A 25 -19.492 -4.223 -1.634 1.00 0.75 O ATOM 391 CB ASN A 25 -21.879 -2.691 -0.095 1.00 0.92 C ATOM 392 CG ASN A 25 -22.685 -3.439 -1.142 1.00 1.03 C ATOM 393 OD1 ASN A 25 -22.663 -4.670 -1.196 1.00 1.08 O ATOM 394 ND2 ASN A 25 -23.417 -2.709 -1.968 1.00 1.11 N ATOM 0 H ASN A 25 -20.493 -2.081 1.904 1.00 0.79 H new ATOM 0 HA ASN A 25 -20.924 -4.516 0.471 1.00 0.82 H new ATOM 0 HB2 ASN A 25 -22.506 -2.497 0.775 1.00 0.92 H new ATOM 0 HB3 ASN A 25 -21.577 -1.722 -0.493 1.00 0.92 H new ATOM 0 HD21 ASN A 25 -23.989 -3.163 -2.680 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -23.409 -1.692 -1.893 1.00 1.11 H new ATOM 401 N VAL A 26 -18.705 -2.372 -0.624 1.00 0.69 N ATOM 402 CA VAL A 26 -17.611 -2.188 -1.569 1.00 0.63 C ATOM 403 C VAL A 26 -16.650 -3.369 -1.466 1.00 0.57 C ATOM 404 O VAL A 26 -16.205 -3.918 -2.474 1.00 0.57 O ATOM 405 CB VAL A 26 -16.840 -0.872 -1.312 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.803 -0.635 -2.402 1.00 0.58 C ATOM 407 CG2 VAL A 26 -17.799 0.309 -1.219 1.00 0.69 C ATOM 0 H VAL A 26 -18.751 -1.666 0.111 1.00 0.69 H new ATOM 0 HA VAL A 26 -18.039 -2.132 -2.570 1.00 0.63 H new ATOM 0 HB VAL A 26 -16.321 -0.965 -0.358 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.272 0.296 -2.203 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -15.093 -1.462 -2.415 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -16.301 -0.569 -3.369 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -17.234 1.223 -1.038 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -18.352 0.403 -2.154 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -18.498 0.146 -0.399 1.00 0.69 H new ATOM 417 N LYS A 27 -16.363 -3.772 -0.232 1.00 0.55 N ATOM 418 CA LYS A 27 -15.474 -4.900 0.022 1.00 0.53 C ATOM 419 C LYS A 27 -16.109 -6.190 -0.483 1.00 0.57 C ATOM 420 O LYS A 27 -15.425 -7.081 -0.991 1.00 0.57 O ATOM 421 CB LYS A 27 -15.175 -5.022 1.519 1.00 0.56 C ATOM 422 CG LYS A 27 -14.760 -3.713 2.172 1.00 0.57 C ATOM 423 CD LYS A 27 -14.481 -3.887 3.659 1.00 0.60 C ATOM 424 CE LYS A 27 -13.020 -4.213 3.911 1.00 0.89 C ATOM 425 NZ LYS A 27 -12.747 -4.538 5.341 1.00 1.00 N ATOM 0 H LYS A 27 -16.735 -3.332 0.610 1.00 0.55 H new ATOM 0 HA LYS A 27 -14.538 -4.728 -0.510 1.00 0.53 H new ATOM 0 HB2 LYS A 27 -16.060 -5.405 2.026 1.00 0.56 H new ATOM 0 HB3 LYS A 27 -14.382 -5.756 1.663 1.00 0.56 H new ATOM 0 HG2 LYS A 27 -13.869 -3.327 1.678 1.00 0.57 H new ATOM 0 HG3 LYS A 27 -15.548 -2.972 2.034 1.00 0.57 H new ATOM 0 HD2 LYS A 27 -14.749 -2.974 4.191 1.00 0.60 H new ATOM 0 HD3 LYS A 27 -15.108 -4.684 4.058 1.00 0.60 H new ATOM 0 HE2 LYS A 27 -12.726 -5.057 3.287 1.00 0.89 H new ATOM 0 HE3 LYS A 27 -12.405 -3.365 3.610 1.00 0.89 H new ATOM 0 HZ1 LYS A 27 -11.738 -4.388 5.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.319 -3.921 5.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -12.993 -5.532 5.524 1.00 1.00 H new ATOM 439 N ALA A 28 -17.426 -6.277 -0.345 1.00 0.64 N ATOM 440 CA ALA A 28 -18.168 -7.448 -0.785 1.00 0.71 C ATOM 441 C ALA A 28 -18.087 -7.601 -2.301 1.00 0.73 C ATOM 442 O ALA A 28 -18.067 -8.720 -2.821 1.00 0.78 O ATOM 443 CB ALA A 28 -19.615 -7.357 -0.331 1.00 0.77 C ATOM 0 H ALA A 28 -18.003 -5.546 0.070 1.00 0.64 H new ATOM 0 HA ALA A 28 -17.718 -8.332 -0.332 1.00 0.71 H new ATOM 0 HB1 ALA A 28 -20.158 -8.240 -0.667 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -19.652 -7.301 0.757 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -20.074 -6.465 -0.756 1.00 0.77 H new ATOM 449 N LYS A 29 -18.035 -6.471 -3.002 1.00 0.72 N ATOM 450 CA LYS A 29 -17.941 -6.481 -4.456 1.00 0.76 C ATOM 451 C LYS A 29 -16.605 -7.059 -4.899 1.00 0.72 C ATOM 452 O LYS A 29 -16.537 -7.822 -5.860 1.00 0.76 O ATOM 453 CB LYS A 29 -18.109 -5.071 -5.020 1.00 0.79 C ATOM 454 CG LYS A 29 -19.560 -4.659 -5.213 1.00 1.12 C ATOM 455 CD LYS A 29 -19.686 -3.592 -6.286 1.00 1.05 C ATOM 456 CE LYS A 29 -21.139 -3.286 -6.608 1.00 1.61 C ATOM 457 NZ LYS A 29 -21.271 -2.554 -7.895 1.00 1.56 N ATOM 0 H LYS A 29 -18.056 -5.540 -2.586 1.00 0.72 H new ATOM 0 HA LYS A 29 -18.744 -7.109 -4.841 1.00 0.76 H new ATOM 0 HB2 LYS A 29 -17.625 -4.361 -4.349 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -17.592 -5.008 -5.978 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -20.155 -5.529 -5.489 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -19.963 -4.283 -4.273 1.00 1.12 H new ATOM 0 HD2 LYS A 29 -19.188 -2.681 -5.954 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -19.175 -3.923 -7.190 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -21.705 -4.216 -6.658 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -21.573 -2.691 -5.804 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -22.256 -2.243 -8.018 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 -20.644 -1.724 -7.888 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 -21.006 -3.182 -8.680 1.00 1.56 H new ATOM 471 N ILE A 30 -15.541 -6.705 -4.185 1.00 0.67 N ATOM 472 CA ILE A 30 -14.210 -7.208 -4.505 1.00 0.63 C ATOM 473 C ILE A 30 -14.151 -8.716 -4.256 1.00 0.64 C ATOM 474 O ILE A 30 -13.425 -9.449 -4.933 1.00 0.66 O ATOM 475 CB ILE A 30 -13.112 -6.484 -3.690 1.00 0.59 C ATOM 476 CG1 ILE A 30 -13.193 -4.973 -3.925 1.00 0.65 C ATOM 477 CG2 ILE A 30 -11.730 -7.010 -4.059 1.00 0.56 C ATOM 478 CD1 ILE A 30 -12.142 -4.174 -3.185 1.00 0.68 C ATOM 0 H ILE A 30 -15.574 -6.074 -3.384 1.00 0.67 H new ATOM 0 HA ILE A 30 -14.019 -7.007 -5.559 1.00 0.63 H new ATOM 0 HB ILE A 30 -13.278 -6.683 -2.631 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -13.098 -4.777 -4.993 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -14.180 -4.622 -3.623 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -10.973 -6.487 -3.474 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -11.679 -8.078 -3.847 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -11.548 -6.842 -5.120 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -12.269 -3.114 -3.405 1.00 0.68 H new ATOM 0 HD12 ILE A 30 -12.249 -4.337 -2.113 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -11.150 -4.495 -3.504 1.00 0.68 H new ATOM 490 N GLN A 31 -14.946 -9.177 -3.297 1.00 0.64 N ATOM 491 CA GLN A 31 -15.015 -10.594 -2.967 1.00 0.67 C ATOM 492 C GLN A 31 -15.754 -11.345 -4.072 1.00 0.74 C ATOM 493 O GLN A 31 -15.478 -12.510 -4.345 1.00 0.83 O ATOM 494 CB GLN A 31 -15.730 -10.800 -1.631 1.00 0.69 C ATOM 495 CG GLN A 31 -15.666 -12.235 -1.126 1.00 0.77 C ATOM 496 CD GLN A 31 -16.850 -12.606 -0.252 1.00 0.88 C ATOM 497 OE1 GLN A 31 -17.422 -11.761 0.438 1.00 0.90 O ATOM 498 NE2 GLN A 31 -17.229 -13.874 -0.278 1.00 1.10 N ATOM 0 H GLN A 31 -15.555 -8.585 -2.732 1.00 0.64 H new ATOM 0 HA GLN A 31 -14.000 -10.983 -2.881 1.00 0.67 H new ATOM 0 HB2 GLN A 31 -15.287 -10.140 -0.885 1.00 0.69 H new ATOM 0 HB3 GLN A 31 -16.774 -10.506 -1.737 1.00 0.69 H new ATOM 0 HG2 GLN A 31 -15.623 -12.913 -1.978 1.00 0.77 H new ATOM 0 HG3 GLN A 31 -14.745 -12.375 -0.560 1.00 0.77 H new ATOM 0 HE21 GLN A 31 -16.729 -14.544 -0.863 1.00 1.10 H new ATOM 0 HE22 GLN A 31 -18.021 -14.181 0.287 1.00 1.10 H new ATOM 507 N ASP A 32 -16.693 -10.657 -4.708 1.00 0.76 N ATOM 508 CA ASP A 32 -17.473 -11.246 -5.790 1.00 0.87 C ATOM 509 C ASP A 32 -16.655 -11.270 -7.078 1.00 0.88 C ATOM 510 O ASP A 32 -16.745 -12.209 -7.867 1.00 0.97 O ATOM 511 CB ASP A 32 -18.767 -10.458 -5.996 1.00 0.95 C ATOM 512 CG ASP A 32 -19.694 -11.116 -6.996 1.00 1.15 C ATOM 513 OD1 ASP A 32 -20.208 -12.221 -6.707 1.00 1.45 O ATOM 514 OD2 ASP A 32 -19.939 -10.521 -8.065 1.00 1.37 O ATOM 0 H ASP A 32 -16.934 -9.689 -4.493 1.00 0.76 H new ATOM 0 HA ASP A 32 -17.728 -12.271 -5.521 1.00 0.87 H new ATOM 0 HB2 ASP A 32 -19.282 -10.356 -5.041 1.00 0.95 H new ATOM 0 HB3 ASP A 32 -18.525 -9.451 -6.337 1.00 0.95 H new ATOM 519 N LYS A 33 -15.843 -10.237 -7.270 1.00 0.82 N ATOM 520 CA LYS A 33 -15.000 -10.128 -8.455 1.00 0.87 C ATOM 521 C LYS A 33 -13.726 -10.962 -8.314 1.00 0.84 C ATOM 522 O LYS A 33 -13.615 -12.049 -8.889 1.00 0.92 O ATOM 523 CB LYS A 33 -14.627 -8.666 -8.713 1.00 0.85 C ATOM 524 CG LYS A 33 -15.808 -7.779 -9.073 1.00 1.06 C ATOM 525 CD LYS A 33 -15.397 -6.316 -9.139 1.00 1.25 C ATOM 526 CE LYS A 33 -16.583 -5.405 -9.422 1.00 1.51 C ATOM 527 NZ LYS A 33 -16.490 -4.775 -10.765 1.00 1.50 N ATOM 0 H LYS A 33 -15.750 -9.459 -6.617 1.00 0.82 H new ATOM 0 HA LYS A 33 -15.572 -10.512 -9.300 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -14.142 -8.264 -7.824 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -13.896 -8.626 -9.521 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -16.218 -8.088 -10.034 1.00 1.06 H new ATOM 0 HG3 LYS A 33 -16.599 -7.904 -8.334 1.00 1.06 H new ATOM 0 HD2 LYS A 33 -14.934 -6.026 -8.196 1.00 1.25 H new ATOM 0 HD3 LYS A 33 -14.645 -6.185 -9.917 1.00 1.25 H new ATOM 0 HE2 LYS A 33 -17.507 -5.980 -9.354 1.00 1.51 H new ATOM 0 HE3 LYS A 33 -16.634 -4.628 -8.659 1.00 1.51 H new ATOM 0 HZ1 LYS A 33 -16.673 -3.754 -10.683 1.00 1.50 H new ATOM 0 HZ2 LYS A 33 -15.537 -4.926 -11.154 1.00 1.50 H new ATOM 0 HZ3 LYS A 33 -17.195 -5.203 -11.399 1.00 1.50 H new ATOM 541 N GLU A 34 -12.775 -10.455 -7.537 1.00 0.80 N ATOM 542 CA GLU A 34 -11.495 -11.130 -7.330 1.00 0.81 C ATOM 543 C GLU A 34 -11.658 -12.376 -6.466 1.00 0.83 C ATOM 544 O GLU A 34 -11.126 -13.442 -6.784 1.00 1.03 O ATOM 545 CB GLU A 34 -10.491 -10.174 -6.680 1.00 0.76 C ATOM 546 CG GLU A 34 -10.264 -8.896 -7.474 1.00 0.83 C ATOM 547 CD GLU A 34 -9.609 -9.151 -8.818 1.00 0.95 C ATOM 548 OE1 GLU A 34 -8.413 -9.509 -8.845 1.00 1.33 O ATOM 549 OE2 GLU A 34 -10.288 -8.996 -9.854 1.00 1.47 O ATOM 0 H GLU A 34 -12.866 -9.571 -7.036 1.00 0.80 H new ATOM 0 HA GLU A 34 -11.120 -11.439 -8.306 1.00 0.81 H new ATOM 0 HB2 GLU A 34 -10.844 -9.914 -5.682 1.00 0.76 H new ATOM 0 HB3 GLU A 34 -9.538 -10.689 -6.557 1.00 0.76 H new ATOM 0 HG2 GLU A 34 -11.219 -8.395 -7.629 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -9.639 -8.218 -6.893 1.00 0.83 H new ATOM 556 N GLY A 35 -12.385 -12.237 -5.367 1.00 0.73 N ATOM 557 CA GLY A 35 -12.601 -13.366 -4.479 1.00 0.76 C ATOM 558 C GLY A 35 -11.970 -13.169 -3.117 1.00 0.75 C ATOM 559 O GLY A 35 -11.980 -14.075 -2.285 1.00 0.93 O ATOM 0 H GLY A 35 -12.829 -11.367 -5.073 1.00 0.73 H new ATOM 0 HA2 GLY A 35 -13.672 -13.528 -4.358 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -12.192 -14.266 -4.937 1.00 0.76 H new ATOM 563 N ILE A 36 -11.424 -11.986 -2.887 1.00 0.64 N ATOM 564 CA ILE A 36 -10.784 -11.676 -1.618 1.00 0.63 C ATOM 565 C ILE A 36 -11.839 -11.355 -0.559 1.00 0.62 C ATOM 566 O ILE A 36 -12.638 -10.437 -0.737 1.00 0.62 O ATOM 567 CB ILE A 36 -9.808 -10.484 -1.752 1.00 0.63 C ATOM 568 CG1 ILE A 36 -8.759 -10.781 -2.831 1.00 0.70 C ATOM 569 CG2 ILE A 36 -9.134 -10.184 -0.416 1.00 0.68 C ATOM 570 CD1 ILE A 36 -7.862 -9.603 -3.153 1.00 0.76 C ATOM 0 H ILE A 36 -11.411 -11.223 -3.564 1.00 0.64 H new ATOM 0 HA ILE A 36 -10.214 -12.554 -1.313 1.00 0.63 H new ATOM 0 HB ILE A 36 -10.376 -9.602 -2.049 1.00 0.63 H new ATOM 0 HG12 ILE A 36 -8.141 -11.617 -2.503 1.00 0.70 H new ATOM 0 HG13 ILE A 36 -9.268 -11.098 -3.741 1.00 0.70 H new ATOM 0 HG21 ILE A 36 -8.452 -9.342 -0.534 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -9.892 -9.936 0.326 1.00 0.68 H new ATOM 0 HG23 ILE A 36 -8.576 -11.060 -0.085 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -7.147 -9.890 -3.924 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -8.468 -8.771 -3.512 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -7.324 -9.299 -2.255 1.00 0.76 H new ATOM 582 N PRO A 37 -11.865 -12.117 0.547 1.00 0.68 N ATOM 583 CA PRO A 37 -12.831 -11.906 1.634 1.00 0.72 C ATOM 584 C PRO A 37 -12.753 -10.494 2.222 1.00 0.66 C ATOM 585 O PRO A 37 -11.669 -9.919 2.339 1.00 0.64 O ATOM 586 CB PRO A 37 -12.444 -12.954 2.687 1.00 0.86 C ATOM 587 CG PRO A 37 -11.075 -13.416 2.309 1.00 0.91 C ATOM 588 CD PRO A 37 -10.963 -13.247 0.825 1.00 0.75 C ATOM 0 HA PRO A 37 -13.857 -12.008 1.281 1.00 0.72 H new ATOM 0 HB2 PRO A 37 -12.450 -12.524 3.689 1.00 0.86 H new ATOM 0 HB3 PRO A 37 -13.150 -13.784 2.692 1.00 0.86 H new ATOM 0 HG2 PRO A 37 -10.313 -12.832 2.824 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -10.925 -14.458 2.593 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -9.939 -13.030 0.520 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -11.269 -14.147 0.293 1.00 0.75 H new ATOM 596 N PRO A 38 -13.910 -9.925 2.613 1.00 0.68 N ATOM 597 CA PRO A 38 -13.983 -8.567 3.167 1.00 0.65 C ATOM 598 C PRO A 38 -13.233 -8.416 4.488 1.00 0.65 C ATOM 599 O PRO A 38 -12.826 -7.311 4.850 1.00 0.70 O ATOM 600 CB PRO A 38 -15.487 -8.340 3.381 1.00 0.71 C ATOM 601 CG PRO A 38 -16.084 -9.705 3.437 1.00 0.79 C ATOM 602 CD PRO A 38 -15.236 -10.565 2.544 1.00 0.78 C ATOM 0 HA PRO A 38 -13.516 -7.844 2.498 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -15.675 -7.790 4.303 1.00 0.71 H new ATOM 0 HB3 PRO A 38 -15.917 -7.755 2.568 1.00 0.71 H new ATOM 0 HG2 PRO A 38 -16.088 -10.087 4.458 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -17.120 -9.692 3.097 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -15.203 -11.597 2.893 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -15.620 -10.586 1.524 1.00 0.78 H new ATOM 610 N ASP A 39 -13.048 -9.521 5.201 1.00 0.68 N ATOM 611 CA ASP A 39 -12.351 -9.495 6.486 1.00 0.74 C ATOM 612 C ASP A 39 -10.845 -9.326 6.308 1.00 0.82 C ATOM 613 O ASP A 39 -10.176 -8.739 7.158 1.00 0.99 O ATOM 614 CB ASP A 39 -12.636 -10.771 7.286 1.00 0.80 C ATOM 615 CG ASP A 39 -12.520 -12.028 6.453 1.00 1.51 C ATOM 616 OD1 ASP A 39 -11.389 -12.509 6.235 1.00 2.52 O ATOM 617 OD2 ASP A 39 -13.568 -12.542 6.015 1.00 1.85 O ATOM 0 H ASP A 39 -13.369 -10.445 4.914 1.00 0.68 H new ATOM 0 HA ASP A 39 -12.729 -8.634 7.037 1.00 0.74 H new ATOM 0 HB2 ASP A 39 -11.941 -10.831 8.124 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -13.639 -10.712 7.708 1.00 0.80 H new ATOM 622 N GLN A 40 -10.316 -9.818 5.198 1.00 0.87 N ATOM 623 CA GLN A 40 -8.888 -9.719 4.928 1.00 1.00 C ATOM 624 C GLN A 40 -8.598 -8.568 3.980 1.00 0.98 C ATOM 625 O GLN A 40 -7.489 -8.425 3.467 1.00 1.24 O ATOM 626 CB GLN A 40 -8.372 -11.029 4.340 1.00 1.14 C ATOM 627 CG GLN A 40 -8.110 -12.091 5.389 1.00 1.29 C ATOM 628 CD GLN A 40 -8.278 -13.494 4.851 1.00 1.35 C ATOM 629 OE1 GLN A 40 -7.339 -14.084 4.325 1.00 1.73 O ATOM 630 NE2 GLN A 40 -9.478 -14.035 4.980 1.00 1.64 N ATOM 0 H GLN A 40 -10.853 -10.289 4.470 1.00 0.87 H new ATOM 0 HA GLN A 40 -8.373 -9.526 5.869 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -9.098 -11.408 3.621 1.00 1.14 H new ATOM 0 HB3 GLN A 40 -7.451 -10.835 3.790 1.00 1.14 H new ATOM 0 HG2 GLN A 40 -7.098 -11.973 5.775 1.00 1.29 H new ATOM 0 HG3 GLN A 40 -8.790 -11.944 6.228 1.00 1.29 H new ATOM 0 HE21 GLN A 40 -10.230 -13.508 5.424 1.00 1.64 H new ATOM 0 HE22 GLN A 40 -9.651 -14.979 4.635 1.00 1.64 H new ATOM 639 N GLN A 41 -9.609 -7.746 3.765 1.00 0.78 N ATOM 640 CA GLN A 41 -9.497 -6.602 2.881 1.00 0.81 C ATOM 641 C GLN A 41 -9.192 -5.335 3.666 1.00 0.67 C ATOM 642 O GLN A 41 -10.070 -4.779 4.329 1.00 0.78 O ATOM 643 CB GLN A 41 -10.803 -6.413 2.116 1.00 0.89 C ATOM 644 CG GLN A 41 -10.749 -6.869 0.672 1.00 0.95 C ATOM 645 CD GLN A 41 -12.066 -6.648 -0.035 1.00 0.83 C ATOM 646 OE1 GLN A 41 -12.399 -5.529 -0.410 1.00 1.44 O ATOM 647 NE2 GLN A 41 -12.820 -7.712 -0.233 1.00 0.79 N ATOM 0 H GLN A 41 -10.527 -7.852 4.197 1.00 0.78 H new ATOM 0 HA GLN A 41 -8.679 -6.789 2.185 1.00 0.81 H new ATOM 0 HB2 GLN A 41 -11.594 -6.961 2.629 1.00 0.89 H new ATOM 0 HB3 GLN A 41 -11.077 -5.358 2.142 1.00 0.89 H new ATOM 0 HG2 GLN A 41 -9.960 -6.328 0.149 1.00 0.95 H new ATOM 0 HG3 GLN A 41 -10.489 -7.927 0.634 1.00 0.95 H new ATOM 0 HE21 GLN A 41 -12.508 -8.626 0.094 1.00 0.79 H new ATOM 0 HE22 GLN A 41 -13.715 -7.620 -0.713 1.00 0.79 H new ATOM 656 N ARG A 42 -7.953 -4.880 3.609 1.00 0.56 N ATOM 657 CA ARG A 42 -7.568 -3.666 4.302 1.00 0.56 C ATOM 658 C ARG A 42 -7.338 -2.549 3.294 1.00 0.50 C ATOM 659 O ARG A 42 -6.279 -2.462 2.675 1.00 0.52 O ATOM 660 CB ARG A 42 -6.318 -3.885 5.157 1.00 0.77 C ATOM 661 CG ARG A 42 -6.053 -2.748 6.130 1.00 0.95 C ATOM 662 CD ARG A 42 -4.898 -3.058 7.064 1.00 1.24 C ATOM 663 NE ARG A 42 -5.063 -2.392 8.356 1.00 1.62 N ATOM 664 CZ ARG A 42 -4.287 -2.605 9.414 1.00 2.19 C ATOM 665 NH1 ARG A 42 -3.234 -3.408 9.324 1.00 2.48 N ATOM 666 NH2 ARG A 42 -4.551 -1.988 10.557 1.00 2.87 N ATOM 0 H ARG A 42 -7.199 -5.332 3.091 1.00 0.56 H new ATOM 0 HA ARG A 42 -8.379 -3.382 4.973 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -6.426 -4.815 5.715 1.00 0.77 H new ATOM 0 HB3 ARG A 42 -5.454 -4.004 4.503 1.00 0.77 H new ATOM 0 HG2 ARG A 42 -5.834 -1.837 5.573 1.00 0.95 H new ATOM 0 HG3 ARG A 42 -6.952 -2.555 6.716 1.00 0.95 H new ATOM 0 HD2 ARG A 42 -4.829 -4.135 7.214 1.00 1.24 H new ATOM 0 HD3 ARG A 42 -3.962 -2.739 6.606 1.00 1.24 H new ATOM 0 HE ARG A 42 -5.824 -1.720 8.451 1.00 1.62 H new ATOM 0 HH11 ARG A 42 -3.016 -3.866 8.439 1.00 2.48 H new ATOM 0 HH12 ARG A 42 -2.643 -3.567 10.140 1.00 2.48 H new ATOM 0 HH21 ARG A 42 -5.347 -1.353 10.622 1.00 2.87 H new ATOM 0 HH22 ARG A 42 -3.959 -2.148 11.372 1.00 2.87 H new ATOM 680 N LEU A 43 -8.352 -1.717 3.111 1.00 0.50 N ATOM 681 CA LEU A 43 -8.274 -0.604 2.179 1.00 0.46 C ATOM 682 C LEU A 43 -7.772 0.646 2.887 1.00 0.49 C ATOM 683 O LEU A 43 -8.478 1.224 3.720 1.00 0.51 O ATOM 684 CB LEU A 43 -9.651 -0.334 1.565 1.00 0.43 C ATOM 685 CG LEU A 43 -10.238 -1.485 0.745 1.00 0.45 C ATOM 686 CD1 LEU A 43 -11.714 -1.246 0.474 1.00 0.46 C ATOM 687 CD2 LEU A 43 -9.480 -1.653 -0.561 1.00 0.50 C ATOM 0 H LEU A 43 -9.244 -1.793 3.600 1.00 0.50 H new ATOM 0 HA LEU A 43 -7.574 -0.865 1.386 1.00 0.46 H new ATOM 0 HB2 LEU A 43 -10.347 -0.090 2.368 1.00 0.43 H new ATOM 0 HB3 LEU A 43 -9.579 0.546 0.926 1.00 0.43 H new ATOM 0 HG LEU A 43 -10.136 -2.404 1.322 1.00 0.45 H new ATOM 0 HD11 LEU A 43 -12.115 -2.074 -0.110 1.00 0.46 H new ATOM 0 HD12 LEU A 43 -12.251 -1.175 1.420 1.00 0.46 H new ATOM 0 HD13 LEU A 43 -11.836 -0.317 -0.082 1.00 0.46 H new ATOM 0 HD21 LEU A 43 -9.913 -2.476 -1.129 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -9.550 -0.734 -1.143 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -8.433 -1.869 -0.349 1.00 0.50 H new ATOM 699 N ILE A 44 -6.551 1.047 2.570 1.00 0.52 N ATOM 700 CA ILE A 44 -5.957 2.232 3.172 1.00 0.57 C ATOM 701 C ILE A 44 -6.143 3.435 2.256 1.00 0.53 C ATOM 702 O ILE A 44 -5.740 3.411 1.092 1.00 0.52 O ATOM 703 CB ILE A 44 -4.452 2.031 3.463 1.00 0.65 C ATOM 704 CG1 ILE A 44 -4.243 0.773 4.308 1.00 0.78 C ATOM 705 CG2 ILE A 44 -3.876 3.253 4.170 1.00 0.73 C ATOM 706 CD1 ILE A 44 -2.787 0.417 4.527 1.00 0.92 C ATOM 0 H ILE A 44 -5.951 0.569 1.898 1.00 0.52 H new ATOM 0 HA ILE A 44 -6.465 2.409 4.120 1.00 0.57 H new ATOM 0 HB ILE A 44 -3.927 1.906 2.516 1.00 0.65 H new ATOM 0 HG12 ILE A 44 -4.722 0.914 5.277 1.00 0.78 H new ATOM 0 HG13 ILE A 44 -4.743 -0.066 3.824 1.00 0.78 H new ATOM 0 HG21 ILE A 44 -2.816 3.093 4.367 1.00 0.73 H new ATOM 0 HG22 ILE A 44 -3.999 4.132 3.537 1.00 0.73 H new ATOM 0 HG23 ILE A 44 -4.401 3.409 5.113 1.00 0.73 H new ATOM 0 HD11 ILE A 44 -2.721 -0.486 5.134 1.00 0.92 H new ATOM 0 HD12 ILE A 44 -2.306 0.243 3.564 1.00 0.92 H new ATOM 0 HD13 ILE A 44 -2.285 1.237 5.040 1.00 0.92 H new ATOM 718 N PHE A 45 -6.766 4.479 2.782 1.00 0.55 N ATOM 719 CA PHE A 45 -7.006 5.686 2.010 1.00 0.57 C ATOM 720 C PHE A 45 -6.479 6.911 2.750 1.00 0.61 C ATOM 721 O PHE A 45 -6.936 7.222 3.850 1.00 0.67 O ATOM 722 CB PHE A 45 -8.505 5.840 1.724 1.00 0.61 C ATOM 723 CG PHE A 45 -8.849 7.041 0.883 1.00 0.68 C ATOM 724 CD1 PHE A 45 -8.458 7.112 -0.443 1.00 0.76 C ATOM 725 CD2 PHE A 45 -9.569 8.098 1.422 1.00 0.83 C ATOM 726 CE1 PHE A 45 -8.777 8.212 -1.217 1.00 0.87 C ATOM 727 CE2 PHE A 45 -9.889 9.201 0.655 1.00 0.93 C ATOM 728 CZ PHE A 45 -9.493 9.258 -0.667 1.00 0.90 C ATOM 0 H PHE A 45 -7.114 4.513 3.740 1.00 0.55 H new ATOM 0 HA PHE A 45 -6.474 5.603 1.063 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -8.862 4.942 1.220 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -9.040 5.908 2.671 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -7.897 6.298 -0.878 1.00 0.76 H new ATOM 0 HD2 PHE A 45 -9.883 8.057 2.455 1.00 0.83 H new ATOM 0 HE1 PHE A 45 -8.467 8.254 -2.251 1.00 0.87 H new ATOM 0 HE2 PHE A 45 -10.448 10.017 1.088 1.00 0.93 H new ATOM 0 HZ PHE A 45 -9.743 10.119 -1.270 1.00 0.90 H new ATOM 738 N ALA A 46 -5.477 7.560 2.154 1.00 0.68 N ATOM 739 CA ALA A 46 -4.859 8.775 2.706 1.00 0.81 C ATOM 740 C ALA A 46 -4.071 8.511 3.994 1.00 0.80 C ATOM 741 O ALA A 46 -3.302 9.365 4.442 1.00 1.25 O ATOM 742 CB ALA A 46 -5.910 9.856 2.938 1.00 0.91 C ATOM 0 H ALA A 46 -5.067 7.259 1.270 1.00 0.68 H new ATOM 0 HA ALA A 46 -4.142 9.124 1.963 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -5.432 10.746 3.347 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -6.392 10.104 1.992 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -6.658 9.491 3.641 1.00 0.91 H new ATOM 748 N GLY A 47 -4.246 7.337 4.579 1.00 0.91 N ATOM 749 CA GLY A 47 -3.543 7.007 5.802 1.00 0.94 C ATOM 750 C GLY A 47 -4.427 6.271 6.782 1.00 0.96 C ATOM 751 O GLY A 47 -3.940 5.618 7.702 1.00 1.23 O ATOM 0 H GLY A 47 -4.863 6.605 4.229 1.00 0.91 H new ATOM 0 HA2 GLY A 47 -2.674 6.393 5.566 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -3.172 7.921 6.265 1.00 0.94 H new ATOM 755 N LYS A 48 -5.731 6.376 6.582 1.00 0.77 N ATOM 756 CA LYS A 48 -6.697 5.718 7.447 1.00 0.83 C ATOM 757 C LYS A 48 -7.389 4.586 6.700 1.00 0.71 C ATOM 758 O LYS A 48 -7.566 4.659 5.482 1.00 0.65 O ATOM 759 CB LYS A 48 -7.740 6.726 7.937 1.00 0.96 C ATOM 760 CG LYS A 48 -7.623 7.079 9.411 1.00 1.43 C ATOM 761 CD LYS A 48 -6.425 7.971 9.689 1.00 1.89 C ATOM 762 CE LYS A 48 -6.543 8.635 11.052 1.00 2.45 C ATOM 763 NZ LYS A 48 -5.361 9.478 11.374 1.00 3.10 N ATOM 0 H LYS A 48 -6.147 6.915 5.822 1.00 0.77 H new ATOM 0 HA LYS A 48 -6.168 5.306 8.306 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -7.651 7.639 7.348 1.00 0.96 H new ATOM 0 HB3 LYS A 48 -8.735 6.322 7.750 1.00 0.96 H new ATOM 0 HG2 LYS A 48 -8.533 7.583 9.737 1.00 1.43 H new ATOM 0 HG3 LYS A 48 -7.538 6.164 9.997 1.00 1.43 H new ATOM 0 HD2 LYS A 48 -5.510 7.380 9.647 1.00 1.89 H new ATOM 0 HD3 LYS A 48 -6.348 8.734 8.914 1.00 1.89 H new ATOM 0 HE2 LYS A 48 -7.443 9.250 11.077 1.00 2.45 H new ATOM 0 HE3 LYS A 48 -6.659 7.868 11.818 1.00 2.45 H new ATOM 0 HZ1 LYS A 48 -5.603 10.137 12.142 1.00 3.10 H new ATOM 0 HZ2 LYS A 48 -4.573 8.870 11.675 1.00 3.10 H new ATOM 0 HZ3 LYS A 48 -5.079 10.018 10.531 1.00 3.10 H new ATOM 777 N GLN A 49 -7.749 3.536 7.421 1.00 0.76 N ATOM 778 CA GLN A 49 -8.443 2.405 6.824 1.00 0.69 C ATOM 779 C GLN A 49 -9.931 2.718 6.741 1.00 0.66 C ATOM 780 O GLN A 49 -10.510 3.259 7.686 1.00 0.79 O ATOM 781 CB GLN A 49 -8.203 1.114 7.622 1.00 0.81 C ATOM 782 CG GLN A 49 -8.464 1.244 9.116 1.00 1.02 C ATOM 783 CD GLN A 49 -8.018 0.019 9.894 1.00 1.26 C ATOM 784 OE1 GLN A 49 -7.096 -0.694 9.486 1.00 1.53 O ATOM 785 NE2 GLN A 49 -8.656 -0.227 11.027 1.00 1.76 N ATOM 0 H GLN A 49 -7.572 3.443 8.421 1.00 0.76 H new ATOM 0 HA GLN A 49 -8.049 2.242 5.821 1.00 0.69 H new ATOM 0 HB2 GLN A 49 -8.843 0.328 7.220 1.00 0.81 H new ATOM 0 HB3 GLN A 49 -7.172 0.794 7.472 1.00 0.81 H new ATOM 0 HG2 GLN A 49 -7.943 2.122 9.497 1.00 1.02 H new ATOM 0 HG3 GLN A 49 -9.529 1.408 9.282 1.00 1.02 H new ATOM 0 HE21 GLN A 49 -9.413 0.386 11.330 1.00 1.76 H new ATOM 0 HE22 GLN A 49 -8.391 -1.030 11.598 1.00 1.76 H new ATOM 794 N LEU A 50 -10.535 2.399 5.608 1.00 0.54 N ATOM 795 CA LEU A 50 -11.952 2.660 5.394 1.00 0.55 C ATOM 796 C LEU A 50 -12.817 1.797 6.304 1.00 0.60 C ATOM 797 O LEU A 50 -12.793 0.567 6.214 1.00 0.60 O ATOM 798 CB LEU A 50 -12.322 2.406 3.932 1.00 0.50 C ATOM 799 CG LEU A 50 -11.533 3.224 2.907 1.00 0.47 C ATOM 800 CD1 LEU A 50 -11.914 2.808 1.499 1.00 0.46 C ATOM 801 CD2 LEU A 50 -11.776 4.714 3.100 1.00 0.51 C ATOM 0 H LEU A 50 -10.065 1.957 4.818 1.00 0.54 H new ATOM 0 HA LEU A 50 -12.139 3.706 5.637 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -12.178 1.347 3.716 1.00 0.50 H new ATOM 0 HB3 LEU A 50 -13.383 2.616 3.801 1.00 0.50 H new ATOM 0 HG LEU A 50 -10.471 3.029 3.058 1.00 0.47 H new ATOM 0 HD11 LEU A 50 -11.346 3.397 0.779 1.00 0.46 H new ATOM 0 HD12 LEU A 50 -11.691 1.750 1.359 1.00 0.46 H new ATOM 0 HD13 LEU A 50 -12.980 2.977 1.346 1.00 0.46 H new ATOM 0 HD21 LEU A 50 -11.205 5.275 2.360 1.00 0.51 H new ATOM 0 HD22 LEU A 50 -12.838 4.928 2.977 1.00 0.51 H new ATOM 0 HD23 LEU A 50 -11.460 5.008 4.101 1.00 0.51 H new ATOM 813 N GLU A 51 -13.567 2.447 7.183 1.00 0.70 N ATOM 814 CA GLU A 51 -14.452 1.748 8.100 1.00 0.78 C ATOM 815 C GLU A 51 -15.657 1.205 7.341 1.00 0.76 C ATOM 816 O GLU A 51 -16.279 1.921 6.553 1.00 0.77 O ATOM 817 CB GLU A 51 -14.918 2.681 9.219 1.00 0.91 C ATOM 818 CG GLU A 51 -13.784 3.298 10.022 1.00 0.97 C ATOM 819 CD GLU A 51 -14.085 4.724 10.436 1.00 1.13 C ATOM 820 OE1 GLU A 51 -15.115 4.947 11.106 1.00 1.41 O ATOM 821 OE2 GLU A 51 -13.300 5.629 10.078 1.00 1.68 O ATOM 0 H GLU A 51 -13.579 3.462 7.279 1.00 0.70 H new ATOM 0 HA GLU A 51 -13.903 0.920 8.548 1.00 0.78 H new ATOM 0 HB2 GLU A 51 -15.519 3.480 8.785 1.00 0.91 H new ATOM 0 HB3 GLU A 51 -15.567 2.125 9.895 1.00 0.91 H new ATOM 0 HG2 GLU A 51 -13.600 2.695 10.911 1.00 0.97 H new ATOM 0 HG3 GLU A 51 -12.869 3.279 9.429 1.00 0.97 H new ATOM 828 N ASP A 52 -15.995 -0.049 7.601 1.00 0.79 N ATOM 829 CA ASP A 52 -17.113 -0.714 6.929 1.00 0.81 C ATOM 830 C ASP A 52 -18.454 -0.066 7.255 1.00 0.89 C ATOM 831 O ASP A 52 -19.424 -0.241 6.520 1.00 0.95 O ATOM 832 CB ASP A 52 -17.147 -2.207 7.289 1.00 0.90 C ATOM 833 CG ASP A 52 -17.085 -2.472 8.778 1.00 1.29 C ATOM 834 OD1 ASP A 52 -16.058 -2.133 9.409 1.00 1.69 O ATOM 835 OD2 ASP A 52 -18.053 -3.039 9.322 1.00 1.74 O ATOM 0 H ASP A 52 -15.508 -0.636 8.279 1.00 0.79 H new ATOM 0 HA ASP A 52 -16.950 -0.604 5.857 1.00 0.81 H new ATOM 0 HB2 ASP A 52 -18.059 -2.648 6.887 1.00 0.90 H new ATOM 0 HB3 ASP A 52 -16.310 -2.709 6.804 1.00 0.90 H new ATOM 840 N GLY A 53 -18.502 0.703 8.332 1.00 0.95 N ATOM 841 CA GLY A 53 -19.740 1.353 8.724 1.00 1.05 C ATOM 842 C GLY A 53 -19.887 2.753 8.151 1.00 1.07 C ATOM 843 O GLY A 53 -20.800 3.487 8.528 1.00 1.28 O ATOM 0 H GLY A 53 -17.707 0.890 8.943 1.00 0.95 H new ATOM 0 HA2 GLY A 53 -20.582 0.743 8.398 1.00 1.05 H new ATOM 0 HA3 GLY A 53 -19.787 1.405 9.812 1.00 1.05 H new ATOM 847 N ARG A 54 -19.000 3.128 7.238 1.00 0.96 N ATOM 848 CA ARG A 54 -19.052 4.454 6.631 1.00 0.99 C ATOM 849 C ARG A 54 -19.328 4.351 5.139 1.00 0.95 C ATOM 850 O ARG A 54 -19.321 3.258 4.569 1.00 0.90 O ATOM 851 CB ARG A 54 -17.732 5.200 6.845 1.00 0.99 C ATOM 852 CG ARG A 54 -17.233 5.180 8.278 1.00 1.14 C ATOM 853 CD ARG A 54 -17.955 6.194 9.147 1.00 1.26 C ATOM 854 NE ARG A 54 -17.361 6.270 10.480 1.00 1.42 N ATOM 855 CZ ARG A 54 -17.867 6.973 11.489 1.00 1.73 C ATOM 856 NH1 ARG A 54 -18.986 7.669 11.327 1.00 1.94 N ATOM 857 NH2 ARG A 54 -17.250 6.973 12.666 1.00 1.92 N ATOM 0 H ARG A 54 -18.239 2.537 6.902 1.00 0.96 H new ATOM 0 HA ARG A 54 -19.860 5.006 7.111 1.00 0.99 H new ATOM 0 HB2 ARG A 54 -16.971 4.761 6.201 1.00 0.99 H new ATOM 0 HB3 ARG A 54 -17.858 6.236 6.530 1.00 0.99 H new ATOM 0 HG2 ARG A 54 -17.370 4.182 8.695 1.00 1.14 H new ATOM 0 HG3 ARG A 54 -16.163 5.387 8.292 1.00 1.14 H new ATOM 0 HD2 ARG A 54 -17.917 7.175 8.673 1.00 1.26 H new ATOM 0 HD3 ARG A 54 -19.007 5.921 9.230 1.00 1.26 H new ATOM 0 HE ARG A 54 -16.500 5.749 10.648 1.00 1.42 H new ATOM 0 HH11 ARG A 54 -19.462 7.666 10.425 1.00 1.94 H new ATOM 0 HH12 ARG A 54 -19.369 8.206 12.105 1.00 1.94 H new ATOM 0 HH21 ARG A 54 -16.392 6.435 12.792 1.00 1.92 H new ATOM 0 HH22 ARG A 54 -17.634 7.511 13.443 1.00 1.92 H new ATOM 871 N THR A 55 -19.578 5.491 4.513 1.00 0.99 N ATOM 872 CA THR A 55 -19.827 5.540 3.084 1.00 1.00 C ATOM 873 C THR A 55 -18.646 6.205 2.382 1.00 0.95 C ATOM 874 O THR A 55 -17.695 6.639 3.036 1.00 0.93 O ATOM 875 CB THR A 55 -21.127 6.308 2.756 1.00 1.11 C ATOM 876 OG1 THR A 55 -21.064 7.648 3.272 1.00 1.31 O ATOM 877 CG2 THR A 55 -22.338 5.590 3.333 1.00 1.07 C ATOM 0 H THR A 55 -19.613 6.399 4.977 1.00 0.99 H new ATOM 0 HA THR A 55 -19.945 4.516 2.728 1.00 1.00 H new ATOM 0 HB THR A 55 -21.229 6.350 1.672 1.00 1.11 H new ATOM 0 HG1 THR A 55 -20.971 7.619 4.247 1.00 1.31 H new ATOM 0 HG21 THR A 55 -23.242 6.148 3.090 1.00 1.07 H new ATOM 0 HG22 THR A 55 -22.404 4.589 2.907 1.00 1.07 H new ATOM 0 HG23 THR A 55 -22.236 5.518 4.416 1.00 1.07 H new ATOM 885 N LEU A 56 -18.701 6.298 1.061 1.00 0.98 N ATOM 886 CA LEU A 56 -17.623 6.920 0.302 1.00 0.95 C ATOM 887 C LEU A 56 -17.652 8.441 0.468 1.00 0.96 C ATOM 888 O LEU A 56 -16.622 9.110 0.370 1.00 0.95 O ATOM 889 CB LEU A 56 -17.715 6.536 -1.175 1.00 1.02 C ATOM 890 CG LEU A 56 -17.470 5.051 -1.466 1.00 1.06 C ATOM 891 CD1 LEU A 56 -18.784 4.304 -1.607 1.00 1.39 C ATOM 892 CD2 LEU A 56 -16.624 4.879 -2.716 1.00 0.84 C ATOM 0 H LEU A 56 -19.476 5.953 0.494 1.00 0.98 H new ATOM 0 HA LEU A 56 -16.674 6.553 0.693 1.00 0.95 H new ATOM 0 HB2 LEU A 56 -18.703 6.807 -1.546 1.00 1.02 H new ATOM 0 HB3 LEU A 56 -16.991 7.127 -1.736 1.00 1.02 H new ATOM 0 HG LEU A 56 -16.925 4.628 -0.622 1.00 1.06 H new ATOM 0 HD11 LEU A 56 -18.584 3.252 -1.813 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -19.353 4.391 -0.681 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -19.359 4.732 -2.428 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -16.463 3.817 -2.903 1.00 0.84 H new ATOM 0 HD22 LEU A 56 -17.139 5.324 -3.568 1.00 0.84 H new ATOM 0 HD23 LEU A 56 -15.662 5.373 -2.575 1.00 0.84 H new ATOM 904 N SER A 57 -18.831 8.980 0.743 1.00 1.01 N ATOM 905 CA SER A 57 -18.985 10.413 0.936 1.00 1.06 C ATOM 906 C SER A 57 -18.464 10.833 2.312 1.00 1.03 C ATOM 907 O SER A 57 -18.108 11.990 2.526 1.00 1.06 O ATOM 908 CB SER A 57 -20.461 10.800 0.791 1.00 1.15 C ATOM 909 OG SER A 57 -21.037 10.197 -0.359 1.00 1.11 O ATOM 0 H SER A 57 -19.695 8.446 0.837 1.00 1.01 H new ATOM 0 HA SER A 57 -18.401 10.932 0.176 1.00 1.06 H new ATOM 0 HB2 SER A 57 -21.010 10.492 1.681 1.00 1.15 H new ATOM 0 HB3 SER A 57 -20.551 11.884 0.721 1.00 1.15 H new ATOM 0 HG SER A 57 -21.211 9.249 -0.179 1.00 1.11 H new ATOM 915 N ASP A 58 -18.395 9.869 3.229 1.00 1.00 N ATOM 916 CA ASP A 58 -17.928 10.118 4.596 1.00 0.99 C ATOM 917 C ASP A 58 -16.490 10.615 4.616 1.00 0.96 C ATOM 918 O ASP A 58 -16.138 11.516 5.379 1.00 1.03 O ATOM 919 CB ASP A 58 -18.015 8.836 5.428 1.00 1.03 C ATOM 920 CG ASP A 58 -19.328 8.690 6.164 1.00 1.13 C ATOM 921 OD1 ASP A 58 -19.522 9.376 7.187 1.00 1.23 O ATOM 922 OD2 ASP A 58 -20.168 7.869 5.730 1.00 1.81 O ATOM 0 H ASP A 58 -18.658 8.900 3.050 1.00 1.00 H new ATOM 0 HA ASP A 58 -18.572 10.888 5.021 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -17.876 7.976 4.773 1.00 1.03 H new ATOM 0 HB3 ASP A 58 -17.198 8.823 6.150 1.00 1.03 H new ATOM 927 N TYR A 59 -15.657 10.026 3.770 1.00 0.88 N ATOM 928 CA TYR A 59 -14.250 10.401 3.704 1.00 0.87 C ATOM 929 C TYR A 59 -14.004 11.472 2.650 1.00 0.91 C ATOM 930 O TYR A 59 -12.857 11.843 2.401 1.00 0.95 O ATOM 931 CB TYR A 59 -13.385 9.178 3.399 1.00 0.83 C ATOM 932 CG TYR A 59 -13.418 8.117 4.477 1.00 0.82 C ATOM 933 CD1 TYR A 59 -12.544 8.169 5.558 1.00 0.94 C ATOM 934 CD2 TYR A 59 -14.319 7.064 4.412 1.00 0.90 C ATOM 935 CE1 TYR A 59 -12.570 7.200 6.543 1.00 1.07 C ATOM 936 CE2 TYR A 59 -14.351 6.092 5.392 1.00 1.03 C ATOM 937 CZ TYR A 59 -13.475 6.166 6.454 1.00 1.09 C ATOM 938 OH TYR A 59 -13.505 5.198 7.429 1.00 1.31 O ATOM 0 H TYR A 59 -15.929 9.288 3.121 1.00 0.88 H new ATOM 0 HA TYR A 59 -13.976 10.808 4.677 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -13.716 8.737 2.459 1.00 0.83 H new ATOM 0 HB3 TYR A 59 -12.354 9.502 3.254 1.00 0.83 H new ATOM 0 HD1 TYR A 59 -11.834 8.980 5.629 1.00 0.94 H new ATOM 0 HD2 TYR A 59 -15.007 7.004 3.581 1.00 0.90 H new ATOM 0 HE1 TYR A 59 -11.885 7.253 7.377 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -15.058 5.278 5.327 1.00 1.03 H new ATOM 0 HH TYR A 59 -13.223 5.586 8.284 1.00 1.31 H new ATOM 948 N ASN A 60 -15.084 11.967 2.046 1.00 0.95 N ATOM 949 CA ASN A 60 -14.992 12.993 1.004 1.00 1.02 C ATOM 950 C ASN A 60 -14.142 12.477 -0.159 1.00 0.96 C ATOM 951 O ASN A 60 -13.330 13.201 -0.737 1.00 1.00 O ATOM 952 CB ASN A 60 -14.406 14.292 1.584 1.00 1.15 C ATOM 953 CG ASN A 60 -14.656 15.505 0.705 1.00 1.19 C ATOM 954 OD1 ASN A 60 -13.824 15.873 -0.120 1.00 1.24 O ATOM 955 ND2 ASN A 60 -15.799 16.145 0.885 1.00 1.44 N ATOM 0 H ASN A 60 -16.037 11.674 2.261 1.00 0.95 H new ATOM 0 HA ASN A 60 -15.991 13.214 0.629 1.00 1.02 H new ATOM 0 HB2 ASN A 60 -14.838 14.470 2.569 1.00 1.15 H new ATOM 0 HB3 ASN A 60 -13.332 14.168 1.724 1.00 1.15 H new ATOM 0 HD21 ASN A 60 -16.013 16.973 0.329 1.00 1.44 H new ATOM 0 HD22 ASN A 60 -16.467 15.811 1.580 1.00 1.44 H new ATOM 962 N ILE A 61 -14.344 11.210 -0.497 1.00 0.88 N ATOM 963 CA ILE A 61 -13.605 10.571 -1.575 1.00 0.85 C ATOM 964 C ILE A 61 -14.060 11.104 -2.926 1.00 0.99 C ATOM 965 O ILE A 61 -15.257 11.170 -3.208 1.00 1.14 O ATOM 966 CB ILE A 61 -13.772 9.035 -1.546 1.00 0.77 C ATOM 967 CG1 ILE A 61 -13.487 8.493 -0.143 1.00 0.75 C ATOM 968 CG2 ILE A 61 -12.852 8.378 -2.565 1.00 0.81 C ATOM 969 CD1 ILE A 61 -13.691 6.999 -0.015 1.00 0.75 C ATOM 0 H ILE A 61 -15.020 10.601 -0.035 1.00 0.88 H new ATOM 0 HA ILE A 61 -12.551 10.807 -1.428 1.00 0.85 H new ATOM 0 HB ILE A 61 -14.803 8.796 -1.808 1.00 0.77 H new ATOM 0 HG12 ILE A 61 -12.460 8.735 0.129 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -14.134 9.002 0.572 1.00 0.75 H new ATOM 0 HG21 ILE A 61 -12.984 7.297 -2.530 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -13.096 8.741 -3.563 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -11.816 8.625 -2.333 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -13.470 6.688 1.006 1.00 0.75 H new ATOM 0 HD12 ILE A 61 -14.725 6.751 -0.254 1.00 0.75 H new ATOM 0 HD13 ILE A 61 -13.025 6.480 -0.704 1.00 0.75 H new ATOM 981 N GLN A 62 -13.104 11.501 -3.749 1.00 1.02 N ATOM 982 CA GLN A 62 -13.409 12.024 -5.067 1.00 1.19 C ATOM 983 C GLN A 62 -13.299 10.930 -6.115 1.00 0.99 C ATOM 984 O GLN A 62 -12.742 9.862 -5.855 1.00 0.93 O ATOM 985 CB GLN A 62 -12.476 13.177 -5.418 1.00 1.46 C ATOM 986 CG GLN A 62 -13.208 14.483 -5.666 1.00 1.94 C ATOM 987 CD GLN A 62 -12.462 15.404 -6.608 1.00 1.99 C ATOM 988 OE1 GLN A 62 -11.772 14.951 -7.517 1.00 2.30 O ATOM 989 NE2 GLN A 62 -12.606 16.701 -6.399 1.00 2.35 N ATOM 0 H GLN A 62 -12.109 11.470 -3.526 1.00 1.02 H new ATOM 0 HA GLN A 62 -14.434 12.395 -5.054 1.00 1.19 H new ATOM 0 HB2 GLN A 62 -11.761 13.317 -4.607 1.00 1.46 H new ATOM 0 HB3 GLN A 62 -11.903 12.915 -6.307 1.00 1.46 H new ATOM 0 HG2 GLN A 62 -14.194 14.269 -6.079 1.00 1.94 H new ATOM 0 HG3 GLN A 62 -13.365 14.993 -4.715 1.00 1.94 H new ATOM 0 HE21 GLN A 62 -13.190 17.032 -5.631 1.00 2.35 H new ATOM 0 HE22 GLN A 62 -12.133 17.371 -7.006 1.00 2.35 H new ATOM 998 N LYS A 63 -13.838 11.198 -7.294 1.00 1.00 N ATOM 999 CA LYS A 63 -13.808 10.243 -8.390 1.00 0.98 C ATOM 1000 C LYS A 63 -12.373 9.958 -8.837 1.00 0.88 C ATOM 1001 O LYS A 63 -11.505 10.833 -8.758 1.00 0.95 O ATOM 1002 CB LYS A 63 -14.656 10.764 -9.561 1.00 1.20 C ATOM 1003 CG LYS A 63 -13.939 11.724 -10.506 1.00 1.20 C ATOM 1004 CD LYS A 63 -13.573 13.042 -9.835 1.00 1.48 C ATOM 1005 CE LYS A 63 -12.929 13.997 -10.827 1.00 1.48 C ATOM 1006 NZ LYS A 63 -11.829 14.793 -10.219 1.00 2.15 N ATOM 0 H LYS A 63 -14.305 12.077 -7.517 1.00 1.00 H new ATOM 0 HA LYS A 63 -14.233 9.302 -8.041 1.00 0.98 H new ATOM 0 HB2 LYS A 63 -15.013 9.911 -10.138 1.00 1.20 H new ATOM 0 HB3 LYS A 63 -15.535 11.266 -9.157 1.00 1.20 H new ATOM 0 HG2 LYS A 63 -13.033 11.249 -10.883 1.00 1.20 H new ATOM 0 HG3 LYS A 63 -14.576 11.924 -11.367 1.00 1.20 H new ATOM 0 HD2 LYS A 63 -14.467 13.500 -9.412 1.00 1.48 H new ATOM 0 HD3 LYS A 63 -12.889 12.855 -9.007 1.00 1.48 H new ATOM 0 HE2 LYS A 63 -12.539 13.430 -11.672 1.00 1.48 H new ATOM 0 HE3 LYS A 63 -13.688 14.673 -11.221 1.00 1.48 H new ATOM 0 HZ1 LYS A 63 -11.912 15.785 -10.519 1.00 2.15 H new ATOM 0 HZ2 LYS A 63 -11.893 14.738 -9.182 1.00 2.15 H new ATOM 0 HZ3 LYS A 63 -10.912 14.412 -10.530 1.00 2.15 H new ATOM 1020 N GLU A 64 -12.131 8.725 -9.280 1.00 0.94 N ATOM 1021 CA GLU A 64 -10.812 8.298 -9.750 1.00 1.00 C ATOM 1022 C GLU A 64 -9.743 8.481 -8.672 1.00 0.85 C ATOM 1023 O GLU A 64 -8.661 9.015 -8.931 1.00 0.96 O ATOM 1024 CB GLU A 64 -10.414 9.059 -11.020 1.00 1.26 C ATOM 1025 CG GLU A 64 -11.098 8.553 -12.278 1.00 1.51 C ATOM 1026 CD GLU A 64 -12.463 9.164 -12.494 1.00 1.67 C ATOM 1027 OE1 GLU A 64 -12.538 10.236 -13.126 1.00 2.05 O ATOM 1028 OE2 GLU A 64 -13.471 8.570 -12.052 1.00 1.88 O ATOM 0 H GLU A 64 -12.842 7.995 -9.324 1.00 0.94 H new ATOM 0 HA GLU A 64 -10.880 7.235 -9.981 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -10.651 10.115 -10.889 1.00 1.26 H new ATOM 0 HB3 GLU A 64 -9.334 8.988 -11.151 1.00 1.26 H new ATOM 0 HG2 GLU A 64 -10.468 8.771 -13.140 1.00 1.51 H new ATOM 0 HG3 GLU A 64 -11.196 7.469 -12.221 1.00 1.51 H new ATOM 1035 N SER A 65 -10.050 8.031 -7.467 1.00 0.78 N ATOM 1036 CA SER A 65 -9.121 8.140 -6.355 1.00 0.83 C ATOM 1037 C SER A 65 -8.204 6.923 -6.295 1.00 0.73 C ATOM 1038 O SER A 65 -8.561 5.838 -6.759 1.00 0.73 O ATOM 1039 CB SER A 65 -9.903 8.287 -5.054 1.00 1.02 C ATOM 1040 OG SER A 65 -11.208 7.754 -5.197 1.00 1.05 O ATOM 0 H SER A 65 -10.938 7.586 -7.234 1.00 0.78 H new ATOM 0 HA SER A 65 -8.496 9.021 -6.499 1.00 0.83 H new ATOM 0 HB2 SER A 65 -9.380 7.772 -4.248 1.00 1.02 H new ATOM 0 HB3 SER A 65 -9.962 9.339 -4.775 1.00 1.02 H new ATOM 0 HG SER A 65 -11.821 8.462 -5.485 1.00 1.05 H new ATOM 1046 N THR A 66 -7.021 7.115 -5.735 1.00 0.74 N ATOM 1047 CA THR A 66 -6.050 6.042 -5.612 1.00 0.70 C ATOM 1048 C THR A 66 -6.195 5.323 -4.272 1.00 0.61 C ATOM 1049 O THR A 66 -5.838 5.862 -3.223 1.00 0.65 O ATOM 1050 CB THR A 66 -4.616 6.587 -5.748 1.00 0.82 C ATOM 1051 OG1 THR A 66 -4.570 7.576 -6.792 1.00 1.03 O ATOM 1052 CG2 THR A 66 -3.634 5.468 -6.063 1.00 1.01 C ATOM 0 H THR A 66 -6.709 8.010 -5.357 1.00 0.74 H new ATOM 0 HA THR A 66 -6.241 5.332 -6.416 1.00 0.70 H new ATOM 0 HB THR A 66 -4.330 7.039 -4.798 1.00 0.82 H new ATOM 0 HG1 THR A 66 -3.657 7.922 -6.875 1.00 1.03 H new ATOM 0 HG21 THR A 66 -2.629 5.881 -6.154 1.00 1.01 H new ATOM 0 HG22 THR A 66 -3.653 4.731 -5.260 1.00 1.01 H new ATOM 0 HG23 THR A 66 -3.916 4.990 -7.001 1.00 1.01 H new ATOM 1060 N LEU A 67 -6.732 4.113 -4.317 1.00 0.56 N ATOM 1061 CA LEU A 67 -6.916 3.306 -3.121 1.00 0.52 C ATOM 1062 C LEU A 67 -5.948 2.136 -3.148 1.00 0.51 C ATOM 1063 O LEU A 67 -5.547 1.681 -4.220 1.00 0.58 O ATOM 1064 CB LEU A 67 -8.354 2.783 -3.028 1.00 0.51 C ATOM 1065 CG LEU A 67 -9.361 3.734 -2.374 1.00 0.61 C ATOM 1066 CD1 LEU A 67 -9.719 4.876 -3.311 1.00 0.64 C ATOM 1067 CD2 LEU A 67 -10.610 2.977 -1.960 1.00 0.69 C ATOM 0 H LEU A 67 -7.050 3.666 -5.177 1.00 0.56 H new ATOM 0 HA LEU A 67 -6.721 3.929 -2.248 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -8.703 2.549 -4.034 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -8.347 1.848 -2.467 1.00 0.51 H new ATOM 0 HG LEU A 67 -8.898 4.159 -1.484 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -10.435 5.537 -2.822 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -8.819 5.438 -3.560 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -10.160 4.474 -4.223 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -11.316 3.666 -1.497 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -11.069 2.524 -2.839 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -10.343 2.197 -1.247 1.00 0.69 H new ATOM 1079 N HIS A 68 -5.562 1.651 -1.982 1.00 0.51 N ATOM 1080 CA HIS A 68 -4.636 0.531 -1.904 1.00 0.57 C ATOM 1081 C HIS A 68 -5.226 -0.608 -1.090 1.00 0.49 C ATOM 1082 O HIS A 68 -5.748 -0.395 0.007 1.00 0.44 O ATOM 1083 CB HIS A 68 -3.301 0.973 -1.310 1.00 0.68 C ATOM 1084 CG HIS A 68 -2.281 1.309 -2.350 1.00 0.93 C ATOM 1085 ND1 HIS A 68 -0.936 1.072 -2.189 1.00 1.16 N ATOM 1086 CD2 HIS A 68 -2.418 1.858 -3.581 1.00 1.50 C ATOM 1087 CE1 HIS A 68 -0.290 1.458 -3.274 1.00 1.40 C ATOM 1088 NE2 HIS A 68 -1.166 1.943 -4.137 1.00 1.66 N ATOM 0 H HIS A 68 -5.872 2.011 -1.079 1.00 0.51 H new ATOM 0 HA HIS A 68 -4.461 0.171 -2.918 1.00 0.57 H new ATOM 0 HB2 HIS A 68 -3.463 1.843 -0.674 1.00 0.68 H new ATOM 0 HB3 HIS A 68 -2.913 0.179 -0.672 1.00 0.68 H new ATOM 0 HD1 HIS A 68 -0.505 0.662 -1.361 1.00 1.16 H new ATOM 0 HD2 HIS A 68 -3.344 2.172 -4.041 1.00 1.50 H new ATOM 0 HE1 HIS A 68 0.776 1.389 -3.430 1.00 1.40 H new ATOM 0 HE2 HIS A 68 -0.948 2.317 -5.060 1.00 1.66 H new ATOM 1097 N LEU A 69 -5.148 -1.810 -1.638 1.00 0.54 N ATOM 1098 CA LEU A 69 -5.672 -2.988 -0.970 1.00 0.52 C ATOM 1099 C LEU A 69 -4.538 -3.821 -0.393 1.00 0.61 C ATOM 1100 O LEU A 69 -3.712 -4.368 -1.125 1.00 0.72 O ATOM 1101 CB LEU A 69 -6.505 -3.832 -1.936 1.00 0.59 C ATOM 1102 CG LEU A 69 -7.032 -5.157 -1.366 1.00 0.61 C ATOM 1103 CD1 LEU A 69 -7.765 -4.930 -0.052 1.00 0.55 C ATOM 1104 CD2 LEU A 69 -7.948 -5.844 -2.370 1.00 0.84 C ATOM 0 H LEU A 69 -4.725 -1.995 -2.547 1.00 0.54 H new ATOM 0 HA LEU A 69 -6.315 -2.658 -0.154 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -7.354 -3.237 -2.272 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -5.900 -4.050 -2.816 1.00 0.59 H new ATOM 0 HG LEU A 69 -6.177 -5.805 -1.173 1.00 0.61 H new ATOM 0 HD11 LEU A 69 -8.129 -5.883 0.331 1.00 0.55 H new ATOM 0 HD12 LEU A 69 -7.084 -4.484 0.672 1.00 0.55 H new ATOM 0 HD13 LEU A 69 -8.609 -4.260 -0.217 1.00 0.55 H new ATOM 0 HD21 LEU A 69 -8.312 -6.781 -1.949 1.00 0.84 H new ATOM 0 HD22 LEU A 69 -8.794 -5.194 -2.594 1.00 0.84 H new ATOM 0 HD23 LEU A 69 -7.395 -6.049 -3.287 1.00 0.84 H new ATOM 1116 N VAL A 70 -4.502 -3.899 0.923 1.00 0.64 N ATOM 1117 CA VAL A 70 -3.488 -4.665 1.620 1.00 0.79 C ATOM 1118 C VAL A 70 -4.154 -5.774 2.428 1.00 0.76 C ATOM 1119 O VAL A 70 -5.296 -5.627 2.863 1.00 0.70 O ATOM 1120 CB VAL A 70 -2.662 -3.765 2.568 1.00 0.92 C ATOM 1121 CG1 VAL A 70 -1.421 -4.489 3.070 1.00 1.24 C ATOM 1122 CG2 VAL A 70 -2.278 -2.465 1.880 1.00 1.10 C ATOM 0 H VAL A 70 -5.172 -3.435 1.537 1.00 0.64 H new ATOM 0 HA VAL A 70 -2.814 -5.094 0.879 1.00 0.79 H new ATOM 0 HB VAL A 70 -3.287 -3.528 3.429 1.00 0.92 H new ATOM 0 HG11 VAL A 70 -0.860 -3.832 3.734 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -1.718 -5.386 3.613 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -0.795 -4.768 2.223 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -1.698 -1.848 2.566 1.00 1.10 H new ATOM 0 HG22 VAL A 70 -1.681 -2.684 0.995 1.00 1.10 H new ATOM 0 HG23 VAL A 70 -3.180 -1.929 1.585 1.00 1.10 H new ATOM 1132 N LEU A 71 -3.460 -6.883 2.606 1.00 0.84 N ATOM 1133 CA LEU A 71 -4.001 -7.991 3.377 1.00 0.85 C ATOM 1134 C LEU A 71 -3.534 -7.886 4.821 1.00 0.87 C ATOM 1135 O LEU A 71 -2.409 -7.453 5.087 1.00 1.21 O ATOM 1136 CB LEU A 71 -3.577 -9.337 2.782 1.00 0.95 C ATOM 1137 CG LEU A 71 -4.326 -9.749 1.512 1.00 1.24 C ATOM 1138 CD1 LEU A 71 -3.575 -9.293 0.271 1.00 1.62 C ATOM 1139 CD2 LEU A 71 -4.543 -11.255 1.488 1.00 1.37 C ATOM 0 H LEU A 71 -2.525 -7.042 2.230 1.00 0.84 H new ATOM 0 HA LEU A 71 -5.089 -7.936 3.342 1.00 0.85 H new ATOM 0 HB2 LEU A 71 -2.510 -9.299 2.560 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -3.719 -10.111 3.536 1.00 0.95 H new ATOM 0 HG LEU A 71 -5.301 -9.261 1.515 1.00 1.24 H new ATOM 0 HD11 LEU A 71 -4.125 -9.597 -0.619 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -3.476 -8.208 0.284 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.584 -9.748 0.258 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.077 -11.531 0.579 1.00 1.37 H new ATOM 0 HD22 LEU A 71 -3.578 -11.762 1.511 1.00 1.37 H new ATOM 0 HD23 LEU A 71 -5.130 -11.552 2.357 1.00 1.37 H new ATOM 1151 N ARG A 72 -4.403 -8.265 5.746 1.00 1.17 N ATOM 1152 CA ARG A 72 -4.092 -8.220 7.171 1.00 1.21 C ATOM 1153 C ARG A 72 -2.897 -9.111 7.505 1.00 1.35 C ATOM 1154 O ARG A 72 -2.789 -10.235 7.010 1.00 1.52 O ATOM 1155 CB ARG A 72 -5.307 -8.658 7.991 1.00 1.30 C ATOM 1156 CG ARG A 72 -5.996 -9.893 7.434 1.00 1.46 C ATOM 1157 CD ARG A 72 -6.841 -10.591 8.487 1.00 1.36 C ATOM 1158 NE ARG A 72 -6.020 -11.390 9.396 1.00 1.51 N ATOM 1159 CZ ARG A 72 -6.047 -12.724 9.461 1.00 1.68 C ATOM 1160 NH1 ARG A 72 -6.939 -13.416 8.761 1.00 1.84 N ATOM 1161 NH2 ARG A 72 -5.203 -13.367 10.259 1.00 1.99 N ATOM 0 H ARG A 72 -5.339 -8.611 5.534 1.00 1.17 H new ATOM 0 HA ARG A 72 -3.835 -7.192 7.424 1.00 1.21 H new ATOM 0 HB2 ARG A 72 -4.992 -8.857 9.015 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -6.024 -7.838 8.031 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -6.627 -9.609 6.592 1.00 1.46 H new ATOM 0 HG3 ARG A 72 -5.247 -10.586 7.051 1.00 1.46 H new ATOM 0 HD2 ARG A 72 -7.398 -9.848 9.058 1.00 1.36 H new ATOM 0 HD3 ARG A 72 -7.574 -11.233 7.999 1.00 1.36 H new ATOM 0 HE ARG A 72 -5.384 -10.896 10.022 1.00 1.51 H new ATOM 0 HH11 ARG A 72 -7.611 -12.929 8.168 1.00 1.84 H new ATOM 0 HH12 ARG A 72 -6.952 -14.434 8.817 1.00 1.84 H new ATOM 0 HH21 ARG A 72 -4.534 -12.842 10.823 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -5.224 -14.386 10.309 1.00 1.99 H new ATOM 1175 N LEU A 73 -2.003 -8.596 8.336 1.00 1.36 N ATOM 1176 CA LEU A 73 -0.821 -9.340 8.746 1.00 1.55 C ATOM 1177 C LEU A 73 -1.185 -10.336 9.844 1.00 1.62 C ATOM 1178 O LEU A 73 -0.781 -11.497 9.809 1.00 1.83 O ATOM 1179 CB LEU A 73 0.266 -8.382 9.241 1.00 1.60 C ATOM 1180 CG LEU A 73 1.609 -9.029 9.587 1.00 1.89 C ATOM 1181 CD1 LEU A 73 2.329 -9.484 8.330 1.00 2.09 C ATOM 1182 CD2 LEU A 73 2.475 -8.059 10.376 1.00 1.97 C ATOM 0 H LEU A 73 -2.074 -7.663 8.741 1.00 1.36 H new ATOM 0 HA LEU A 73 -0.436 -9.888 7.886 1.00 1.55 H new ATOM 0 HB2 LEU A 73 0.434 -7.625 8.475 1.00 1.60 H new ATOM 0 HB3 LEU A 73 -0.106 -7.864 10.125 1.00 1.60 H new ATOM 0 HG LEU A 73 1.418 -9.907 10.204 1.00 1.89 H new ATOM 0 HD11 LEU A 73 3.281 -9.941 8.601 1.00 2.09 H new ATOM 0 HD12 LEU A 73 1.714 -10.213 7.802 1.00 2.09 H new ATOM 0 HD13 LEU A 73 2.510 -8.625 7.683 1.00 2.09 H new ATOM 0 HD21 LEU A 73 3.427 -8.533 10.615 1.00 1.97 H new ATOM 0 HD22 LEU A 73 2.655 -7.164 9.780 1.00 1.97 H new ATOM 0 HD23 LEU A 73 1.965 -7.784 11.299 1.00 1.97 H new ATOM 1194 N ARG A 74 -1.958 -9.869 10.817 1.00 1.51 N ATOM 1195 CA ARG A 74 -2.389 -10.707 11.927 1.00 1.62 C ATOM 1196 C ARG A 74 -3.905 -10.647 12.067 1.00 1.56 C ATOM 1197 O ARG A 74 -4.575 -9.992 11.271 1.00 1.63 O ATOM 1198 CB ARG A 74 -1.719 -10.257 13.225 1.00 1.72 C ATOM 1199 CG ARG A 74 -0.228 -10.543 13.262 1.00 1.87 C ATOM 1200 CD ARG A 74 0.424 -9.965 14.504 1.00 2.28 C ATOM 1201 NE ARG A 74 0.593 -8.514 14.419 1.00 2.26 N ATOM 1202 CZ ARG A 74 1.761 -7.911 14.187 1.00 2.65 C ATOM 1203 NH1 ARG A 74 2.850 -8.627 13.932 1.00 3.32 N ATOM 1204 NH2 ARG A 74 1.835 -6.587 14.174 1.00 2.70 N ATOM 0 H ARG A 74 -2.300 -8.909 10.859 1.00 1.51 H new ATOM 0 HA ARG A 74 -2.094 -11.737 11.725 1.00 1.62 H new ATOM 0 HB2 ARG A 74 -1.880 -9.187 13.357 1.00 1.72 H new ATOM 0 HB3 ARG A 74 -2.199 -10.758 14.066 1.00 1.72 H new ATOM 0 HG2 ARG A 74 -0.063 -11.620 13.232 1.00 1.87 H new ATOM 0 HG3 ARG A 74 0.245 -10.124 12.374 1.00 1.87 H new ATOM 0 HD2 ARG A 74 -0.183 -10.207 15.376 1.00 2.28 H new ATOM 0 HD3 ARG A 74 1.397 -10.434 14.652 1.00 2.28 H new ATOM 0 HE ARG A 74 -0.232 -7.928 14.545 1.00 2.26 H new ATOM 0 HH11 ARG A 74 2.798 -9.645 13.912 1.00 3.32 H new ATOM 0 HH12 ARG A 74 3.739 -8.158 13.756 1.00 3.32 H new ATOM 0 HH21 ARG A 74 0.999 -6.028 14.341 1.00 2.70 H new ATOM 0 HH22 ARG A 74 2.728 -6.128 13.997 1.00 2.70 H new ATOM 1218 N GLY A 75 -4.439 -11.337 13.063 1.00 1.69 N ATOM 1219 CA GLY A 75 -5.872 -11.340 13.275 1.00 1.67 C ATOM 1220 C GLY A 75 -6.246 -11.687 14.702 1.00 1.77 C ATOM 1221 O GLY A 75 -6.491 -10.798 15.518 1.00 2.16 O ATOM 0 H GLY A 75 -3.906 -11.896 13.729 1.00 1.69 H new ATOM 0 HA2 GLY A 75 -6.275 -10.359 13.025 1.00 1.67 H new ATOM 0 HA3 GLY A 75 -6.335 -12.057 12.597 1.00 1.67 H new ATOM 1225 N GLY A 76 -6.283 -12.979 15.001 1.00 1.73 N ATOM 1226 CA GLY A 76 -6.632 -13.419 16.335 1.00 1.91 C ATOM 1227 C GLY A 76 -5.454 -13.353 17.285 1.00 2.25 C ATOM 1228 O GLY A 76 -4.309 -13.536 16.829 1.00 2.51 O ATOM 1229 OXT GLY A 76 -5.667 -13.113 18.491 1.00 2.58 O ATOM 0 H GLY A 76 -6.077 -13.730 14.342 1.00 1.73 H new ATOM 0 HA2 GLY A 76 -7.442 -12.800 16.720 1.00 1.91 H new ATOM 0 HA3 GLY A 76 -7.005 -14.442 16.292 1.00 1.91 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 31.218 -2.759 3.549 1.00 7.89 N ATOM 1235 CA ALA B 49 29.861 -3.222 3.185 1.00 7.38 C ATOM 1236 C ALA B 49 29.590 -2.955 1.711 1.00 6.19 C ATOM 1237 O ALA B 49 30.464 -2.458 0.996 1.00 6.01 O ATOM 1238 CB ALA B 49 28.813 -2.538 4.049 1.00 8.29 C ATOM 0 HA ALA B 49 29.804 -4.296 3.361 1.00 7.38 H new ATOM 0 HB1 ALA B 49 27.821 -2.891 3.766 1.00 8.29 H new ATOM 0 HB2 ALA B 49 28.997 -2.772 5.098 1.00 8.29 H new ATOM 0 HB3 ALA B 49 28.869 -1.459 3.903 1.00 8.29 H new ATOM 1246 N ASN B 50 28.381 -3.298 1.262 1.00 5.55 N ATOM 1247 CA ASN B 50 27.978 -3.098 -0.127 1.00 4.48 C ATOM 1248 C ASN B 50 28.926 -3.844 -1.060 1.00 4.51 C ATOM 1249 O ASN B 50 29.630 -3.245 -1.875 1.00 3.94 O ATOM 1250 CB ASN B 50 27.925 -1.599 -0.465 1.00 3.80 C ATOM 1251 CG ASN B 50 27.150 -1.309 -1.735 1.00 3.32 C ATOM 1252 OD1 ASN B 50 26.362 -2.130 -2.204 1.00 3.27 O ATOM 1253 ND2 ASN B 50 27.352 -0.124 -2.287 1.00 3.32 N ATOM 0 H ASN B 50 27.660 -3.719 1.848 1.00 5.55 H new ATOM 0 HA ASN B 50 26.976 -3.503 -0.266 1.00 4.48 H new ATOM 0 HB2 ASN B 50 27.468 -1.060 0.365 1.00 3.80 H new ATOM 0 HB3 ASN B 50 28.941 -1.219 -0.570 1.00 3.80 H new ATOM 0 HD21 ASN B 50 26.846 0.138 -3.133 1.00 3.32 H new ATOM 0 HD22 ASN B 50 28.014 0.528 -1.867 1.00 3.32 H new ATOM 1260 N GLN B 51 28.953 -5.164 -0.908 1.00 5.34 N ATOM 1261 CA GLN B 51 29.817 -6.016 -1.716 1.00 5.73 C ATOM 1262 C GLN B 51 29.313 -6.121 -3.154 1.00 5.61 C ATOM 1263 O GLN B 51 30.074 -6.430 -4.070 1.00 5.77 O ATOM 1264 CB GLN B 51 29.906 -7.413 -1.098 1.00 6.81 C ATOM 1265 CG GLN B 51 30.475 -7.433 0.315 1.00 7.14 C ATOM 1266 CD GLN B 51 31.980 -7.238 0.354 1.00 7.49 C ATOM 1267 OE1 GLN B 51 32.553 -6.534 -0.479 1.00 7.06 O ATOM 1268 NE2 GLN B 51 32.628 -7.862 1.322 1.00 8.42 N ATOM 0 H GLN B 51 28.383 -5.669 -0.229 1.00 5.34 H new ATOM 0 HA GLN B 51 30.807 -5.561 -1.735 1.00 5.73 H new ATOM 0 HB2 GLN B 51 28.910 -7.856 -1.083 1.00 6.81 H new ATOM 0 HB3 GLN B 51 30.526 -8.042 -1.737 1.00 6.81 H new ATOM 0 HG2 GLN B 51 29.998 -6.649 0.903 1.00 7.14 H new ATOM 0 HG3 GLN B 51 30.225 -8.383 0.787 1.00 7.14 H new ATOM 0 HE21 GLN B 51 32.115 -8.436 1.992 1.00 8.42 H new ATOM 0 HE22 GLN B 51 33.641 -7.770 1.400 1.00 8.42 H new ATOM 1277 N GLN B 52 28.028 -5.872 -3.348 1.00 5.47 N ATOM 1278 CA GLN B 52 27.437 -5.939 -4.674 1.00 5.44 C ATOM 1279 C GLN B 52 26.811 -4.595 -5.034 1.00 4.52 C ATOM 1280 O GLN B 52 25.623 -4.364 -4.796 1.00 4.10 O ATOM 1281 CB GLN B 52 26.384 -7.051 -4.739 1.00 6.26 C ATOM 1282 CG GLN B 52 26.097 -7.546 -6.149 1.00 6.28 C ATOM 1283 CD GLN B 52 24.780 -8.295 -6.257 1.00 6.34 C ATOM 1284 OE1 GLN B 52 24.119 -8.259 -7.293 1.00 5.83 O ATOM 1285 NE2 GLN B 52 24.387 -8.970 -5.187 1.00 7.08 N ATOM 0 H GLN B 52 27.375 -5.622 -2.605 1.00 5.47 H new ATOM 0 HA GLN B 52 28.222 -6.168 -5.395 1.00 5.44 H new ATOM 0 HB2 GLN B 52 26.719 -7.891 -4.131 1.00 6.26 H new ATOM 0 HB3 GLN B 52 25.457 -6.686 -4.297 1.00 6.26 H new ATOM 0 HG2 GLN B 52 26.082 -6.696 -6.831 1.00 6.28 H new ATOM 0 HG3 GLN B 52 26.908 -8.199 -6.471 1.00 6.28 H new ATOM 0 HE21 GLN B 52 24.965 -8.975 -4.346 1.00 7.08 H new ATOM 0 HE22 GLN B 52 23.507 -9.485 -5.204 1.00 7.08 H new ATOM 1294 N THR B 53 27.619 -3.711 -5.592 1.00 4.33 N ATOM 1295 CA THR B 53 27.157 -2.388 -5.985 1.00 3.53 C ATOM 1296 C THR B 53 26.550 -2.419 -7.388 1.00 3.27 C ATOM 1297 O THR B 53 26.959 -1.672 -8.277 1.00 3.29 O ATOM 1298 CB THR B 53 28.314 -1.369 -5.942 1.00 3.67 C ATOM 1299 OG1 THR B 53 29.213 -1.711 -4.879 1.00 4.47 O ATOM 1300 CG2 THR B 53 27.794 0.046 -5.725 1.00 3.04 C ATOM 0 H THR B 53 28.605 -3.886 -5.785 1.00 4.33 H new ATOM 0 HA THR B 53 26.389 -2.080 -5.275 1.00 3.53 H new ATOM 0 HB THR B 53 28.834 -1.402 -6.900 1.00 3.67 H new ATOM 0 HG1 THR B 53 29.949 -1.065 -4.852 1.00 4.47 H new ATOM 0 HG21 THR B 53 28.633 0.742 -5.699 1.00 3.04 H new ATOM 0 HG22 THR B 53 27.123 0.316 -6.541 1.00 3.04 H new ATOM 0 HG23 THR B 53 27.254 0.094 -4.780 1.00 3.04 H new ATOM 1308 N SER B 54 25.587 -3.303 -7.581 1.00 3.19 N ATOM 1309 CA SER B 54 24.920 -3.443 -8.862 1.00 2.94 C ATOM 1310 C SER B 54 23.576 -2.722 -8.849 1.00 1.98 C ATOM 1311 O SER B 54 23.446 -1.612 -9.369 1.00 1.51 O ATOM 1312 CB SER B 54 24.721 -4.925 -9.161 1.00 3.63 C ATOM 1313 OG SER B 54 24.295 -5.603 -7.990 1.00 4.57 O ATOM 0 H SER B 54 25.248 -3.939 -6.860 1.00 3.19 H new ATOM 0 HA SER B 54 25.537 -2.993 -9.639 1.00 2.94 H new ATOM 0 HB2 SER B 54 23.982 -5.049 -9.952 1.00 3.63 H new ATOM 0 HB3 SER B 54 25.652 -5.359 -9.524 1.00 3.63 H new ATOM 0 HG SER B 54 24.363 -6.571 -8.129 1.00 4.57 H new ATOM 1319 N GLY B 55 22.587 -3.351 -8.230 1.00 2.06 N ATOM 1320 CA GLY B 55 21.267 -2.768 -8.148 1.00 1.62 C ATOM 1321 C GLY B 55 21.134 -1.838 -6.965 1.00 1.24 C ATOM 1322 O GLY B 55 20.742 -2.259 -5.878 1.00 1.38 O ATOM 0 H GLY B 55 22.679 -4.262 -7.780 1.00 2.06 H new ATOM 0 HA2 GLY B 55 21.055 -2.220 -9.066 1.00 1.62 H new ATOM 0 HA3 GLY B 55 20.524 -3.562 -8.071 1.00 1.62 H new ATOM 1326 N LYS B 56 21.506 -0.584 -7.165 1.00 0.94 N ATOM 1327 CA LYS B 56 21.417 0.422 -6.118 1.00 0.68 C ATOM 1328 C LYS B 56 20.541 1.569 -6.600 1.00 0.61 C ATOM 1329 O LYS B 56 20.859 2.232 -7.591 1.00 0.68 O ATOM 1330 CB LYS B 56 22.815 0.931 -5.742 1.00 0.81 C ATOM 1331 CG LYS B 56 23.755 -0.165 -5.258 1.00 1.31 C ATOM 1332 CD LYS B 56 23.421 -0.614 -3.843 1.00 0.93 C ATOM 1333 CE LYS B 56 23.335 -2.131 -3.741 1.00 1.34 C ATOM 1334 NZ LYS B 56 23.688 -2.619 -2.382 1.00 1.52 N ATOM 0 H LYS B 56 21.875 -0.236 -8.050 1.00 0.94 H new ATOM 0 HA LYS B 56 20.971 -0.021 -5.228 1.00 0.68 H new ATOM 0 HB2 LYS B 56 23.259 1.422 -6.608 1.00 0.81 H new ATOM 0 HB3 LYS B 56 22.720 1.686 -4.962 1.00 0.81 H new ATOM 0 HG2 LYS B 56 23.696 -1.019 -5.933 1.00 1.31 H new ATOM 0 HG3 LYS B 56 24.783 0.197 -5.291 1.00 1.31 H new ATOM 0 HD2 LYS B 56 24.182 -0.245 -3.155 1.00 0.93 H new ATOM 0 HD3 LYS B 56 22.472 -0.174 -3.536 1.00 0.93 H new ATOM 0 HE2 LYS B 56 22.325 -2.454 -3.991 1.00 1.34 H new ATOM 0 HE3 LYS B 56 24.005 -2.582 -4.473 1.00 1.34 H new ATOM 0 HZ1 LYS B 56 23.487 -3.637 -2.316 1.00 1.52 H new ATOM 0 HZ2 LYS B 56 24.699 -2.453 -2.205 1.00 1.52 H new ATOM 0 HZ3 LYS B 56 23.125 -2.108 -1.673 1.00 1.52 H new ATOM 1348 N VAL B 57 19.433 1.790 -5.914 1.00 0.56 N ATOM 1349 CA VAL B 57 18.507 2.844 -6.301 1.00 0.53 C ATOM 1350 C VAL B 57 18.828 4.152 -5.590 1.00 0.53 C ATOM 1351 O VAL B 57 19.483 4.163 -4.544 1.00 0.57 O ATOM 1352 CB VAL B 57 17.037 2.457 -6.020 1.00 0.49 C ATOM 1353 CG1 VAL B 57 16.124 3.049 -7.086 1.00 0.57 C ATOM 1354 CG2 VAL B 57 16.867 0.946 -5.949 1.00 0.54 C ATOM 0 H VAL B 57 19.152 1.258 -5.090 1.00 0.56 H new ATOM 0 HA VAL B 57 18.629 2.980 -7.376 1.00 0.53 H new ATOM 0 HB VAL B 57 16.758 2.868 -5.050 1.00 0.49 H new ATOM 0 HG11 VAL B 57 15.091 2.769 -6.877 1.00 0.57 H new ATOM 0 HG12 VAL B 57 16.214 4.135 -7.080 1.00 0.57 H new ATOM 0 HG13 VAL B 57 16.412 2.667 -8.065 1.00 0.57 H new ATOM 0 HG21 VAL B 57 15.822 0.706 -5.750 1.00 0.54 H new ATOM 0 HG22 VAL B 57 17.167 0.501 -6.898 1.00 0.54 H new ATOM 0 HG23 VAL B 57 17.490 0.547 -5.148 1.00 0.54 H new ATOM 1364 N LEU B 58 18.365 5.250 -6.168 1.00 0.64 N ATOM 1365 CA LEU B 58 18.596 6.576 -5.612 1.00 0.67 C ATOM 1366 C LEU B 58 17.293 7.194 -5.114 1.00 0.67 C ATOM 1367 O LEU B 58 16.276 7.160 -5.808 1.00 0.97 O ATOM 1368 CB LEU B 58 19.212 7.482 -6.677 1.00 0.85 C ATOM 1369 CG LEU B 58 19.615 8.877 -6.199 1.00 0.87 C ATOM 1370 CD1 LEU B 58 21.028 8.862 -5.645 1.00 1.04 C ATOM 1371 CD2 LEU B 58 19.496 9.883 -7.329 1.00 1.26 C ATOM 0 H LEU B 58 17.821 5.248 -7.031 1.00 0.64 H new ATOM 0 HA LEU B 58 19.279 6.478 -4.768 1.00 0.67 H new ATOM 0 HB2 LEU B 58 20.094 6.987 -7.084 1.00 0.85 H new ATOM 0 HB3 LEU B 58 18.500 7.589 -7.495 1.00 0.85 H new ATOM 0 HG LEU B 58 18.936 9.176 -5.401 1.00 0.87 H new ATOM 0 HD11 LEU B 58 21.298 9.863 -5.310 1.00 1.04 H new ATOM 0 HD12 LEU B 58 21.082 8.171 -4.804 1.00 1.04 H new ATOM 0 HD13 LEU B 58 21.721 8.541 -6.423 1.00 1.04 H new ATOM 0 HD21 LEU B 58 19.787 10.870 -6.970 1.00 1.26 H new ATOM 0 HD22 LEU B 58 20.150 9.588 -8.149 1.00 1.26 H new ATOM 0 HD23 LEU B 58 18.465 9.915 -7.681 1.00 1.26 H new ATOM 1383 N TYR B 59 17.328 7.741 -3.909 1.00 0.54 N ATOM 1384 CA TYR B 59 16.159 8.387 -3.327 1.00 0.57 C ATOM 1385 C TYR B 59 16.592 9.663 -2.605 1.00 0.58 C ATOM 1386 O TYR B 59 17.552 9.646 -1.833 1.00 0.62 O ATOM 1387 CB TYR B 59 15.416 7.436 -2.367 1.00 0.63 C ATOM 1388 CG TYR B 59 15.990 7.389 -0.963 1.00 0.72 C ATOM 1389 CD1 TYR B 59 17.184 6.729 -0.700 1.00 0.75 C ATOM 1390 CD2 TYR B 59 15.342 8.018 0.094 1.00 0.88 C ATOM 1391 CE1 TYR B 59 17.720 6.707 0.572 1.00 0.97 C ATOM 1392 CE2 TYR B 59 15.870 7.995 1.370 1.00 1.05 C ATOM 1393 CZ TYR B 59 17.059 7.338 1.604 1.00 1.10 C ATOM 1394 OH TYR B 59 17.596 7.321 2.873 1.00 1.35 O ATOM 0 H TYR B 59 18.155 7.751 -3.312 1.00 0.54 H new ATOM 0 HA TYR B 59 15.465 8.646 -4.126 1.00 0.57 H new ATOM 0 HB2 TYR B 59 14.371 7.741 -2.309 1.00 0.63 H new ATOM 0 HB3 TYR B 59 15.432 6.430 -2.787 1.00 0.63 H new ATOM 0 HD1 TYR B 59 17.701 6.225 -1.503 1.00 0.75 H new ATOM 0 HD2 TYR B 59 14.410 8.533 -0.086 1.00 0.88 H new ATOM 0 HE1 TYR B 59 18.654 6.197 0.758 1.00 0.97 H new ATOM 0 HE2 TYR B 59 15.354 8.489 2.180 1.00 1.05 H new ATOM 0 HH TYR B 59 16.970 7.742 3.499 1.00 1.35 H new ATOM 1404 N GLU B 60 15.921 10.774 -2.903 1.00 0.64 N ATOM 1405 CA GLU B 60 16.231 12.067 -2.283 1.00 0.68 C ATOM 1406 C GLU B 60 17.680 12.483 -2.556 1.00 0.74 C ATOM 1407 O GLU B 60 18.236 13.339 -1.863 1.00 0.82 O ATOM 1408 CB GLU B 60 15.983 12.014 -0.770 1.00 0.75 C ATOM 1409 CG GLU B 60 14.521 11.821 -0.392 1.00 0.88 C ATOM 1410 CD GLU B 60 14.313 11.769 1.106 1.00 1.88 C ATOM 1411 OE1 GLU B 60 15.165 12.300 1.854 1.00 2.64 O ATOM 1412 OE2 GLU B 60 13.297 11.204 1.549 1.00 2.51 O ATOM 0 H GLU B 60 15.154 10.807 -3.574 1.00 0.64 H new ATOM 0 HA GLU B 60 15.570 12.811 -2.728 1.00 0.68 H new ATOM 0 HB2 GLU B 60 16.569 11.200 -0.344 1.00 0.75 H new ATOM 0 HB3 GLU B 60 16.346 12.938 -0.319 1.00 0.75 H new ATOM 0 HG2 GLU B 60 13.930 12.636 -0.810 1.00 0.88 H new ATOM 0 HG3 GLU B 60 14.152 10.898 -0.839 1.00 0.88 H new ATOM 1419 N GLY B 61 18.281 11.886 -3.580 1.00 0.81 N ATOM 1420 CA GLY B 61 19.657 12.199 -3.916 1.00 0.99 C ATOM 1421 C GLY B 61 20.645 11.328 -3.161 1.00 1.03 C ATOM 1422 O GLY B 61 21.856 11.523 -3.256 1.00 1.27 O ATOM 0 H GLY B 61 17.840 11.191 -4.183 1.00 0.81 H new ATOM 0 HA2 GLY B 61 19.806 12.069 -4.988 1.00 0.99 H new ATOM 0 HA3 GLY B 61 19.854 13.247 -3.692 1.00 0.99 H new ATOM 1426 N LYS B 62 20.127 10.367 -2.407 1.00 0.90 N ATOM 1427 CA LYS B 62 20.959 9.455 -1.633 1.00 1.00 C ATOM 1428 C LYS B 62 20.879 8.048 -2.221 1.00 0.88 C ATOM 1429 O LYS B 62 19.800 7.593 -2.605 1.00 0.78 O ATOM 1430 CB LYS B 62 20.493 9.442 -0.175 1.00 1.08 C ATOM 1431 CG LYS B 62 21.454 8.749 0.779 1.00 1.44 C ATOM 1432 CD LYS B 62 20.778 8.410 2.102 1.00 1.44 C ATOM 1433 CE LYS B 62 20.279 9.658 2.815 1.00 1.32 C ATOM 1434 NZ LYS B 62 19.207 9.342 3.794 1.00 1.45 N ATOM 0 H LYS B 62 19.125 10.198 -2.315 1.00 0.90 H new ATOM 0 HA LYS B 62 21.994 9.794 -1.673 1.00 1.00 H new ATOM 0 HB2 LYS B 62 20.346 10.470 0.157 1.00 1.08 H new ATOM 0 HB3 LYS B 62 19.523 8.948 -0.119 1.00 1.08 H new ATOM 0 HG2 LYS B 62 21.832 7.837 0.318 1.00 1.44 H new ATOM 0 HG3 LYS B 62 22.314 9.393 0.963 1.00 1.44 H new ATOM 0 HD2 LYS B 62 19.941 7.735 1.921 1.00 1.44 H new ATOM 0 HD3 LYS B 62 21.481 7.880 2.745 1.00 1.44 H new ATOM 0 HE2 LYS B 62 21.111 10.140 3.329 1.00 1.32 H new ATOM 0 HE3 LYS B 62 19.902 10.370 2.081 1.00 1.32 H new ATOM 0 HZ1 LYS B 62 18.709 10.216 4.058 1.00 1.45 H new ATOM 0 HZ2 LYS B 62 18.533 8.675 3.367 1.00 1.45 H new ATOM 0 HZ3 LYS B 62 19.628 8.914 4.643 1.00 1.45 H new ATOM 1448 N GLU B 63 22.017 7.373 -2.298 1.00 0.95 N ATOM 1449 CA GLU B 63 22.071 6.021 -2.846 1.00 0.88 C ATOM 1450 C GLU B 63 21.805 4.983 -1.756 1.00 0.89 C ATOM 1451 O GLU B 63 22.406 5.029 -0.681 1.00 1.05 O ATOM 1452 CB GLU B 63 23.438 5.765 -3.490 1.00 1.03 C ATOM 1453 CG GLU B 63 23.850 6.838 -4.487 1.00 1.17 C ATOM 1454 CD GLU B 63 25.236 6.615 -5.059 1.00 1.35 C ATOM 1455 OE1 GLU B 63 26.216 6.641 -4.284 1.00 1.35 O ATOM 1456 OE2 GLU B 63 25.352 6.430 -6.287 1.00 1.91 O ATOM 0 H GLU B 63 22.918 7.738 -1.988 1.00 0.95 H new ATOM 0 HA GLU B 63 21.296 5.930 -3.607 1.00 0.88 H new ATOM 0 HB2 GLU B 63 24.193 5.699 -2.707 1.00 1.03 H new ATOM 0 HB3 GLU B 63 23.418 4.799 -3.995 1.00 1.03 H new ATOM 0 HG2 GLU B 63 23.127 6.866 -5.302 1.00 1.17 H new ATOM 0 HG3 GLU B 63 23.817 7.812 -3.999 1.00 1.17 H new ATOM 1463 N PHE B 64 20.905 4.056 -2.040 1.00 0.78 N ATOM 1464 CA PHE B 64 20.557 3.004 -1.095 1.00 0.84 C ATOM 1465 C PHE B 64 20.477 1.666 -1.814 1.00 0.86 C ATOM 1466 O PHE B 64 20.740 1.589 -3.015 1.00 0.97 O ATOM 1467 CB PHE B 64 19.222 3.318 -0.418 1.00 0.78 C ATOM 1468 CG PHE B 64 19.296 3.306 1.084 1.00 0.85 C ATOM 1469 CD1 PHE B 64 19.968 4.307 1.766 1.00 0.98 C ATOM 1470 CD2 PHE B 64 18.689 2.296 1.814 1.00 0.89 C ATOM 1471 CE1 PHE B 64 20.034 4.301 3.146 1.00 1.07 C ATOM 1472 CE2 PHE B 64 18.751 2.288 3.194 1.00 1.01 C ATOM 1473 CZ PHE B 64 19.424 3.292 3.860 1.00 1.06 C ATOM 0 H PHE B 64 20.398 4.010 -2.924 1.00 0.78 H new ATOM 0 HA PHE B 64 21.331 2.950 -0.329 1.00 0.84 H new ATOM 0 HB2 PHE B 64 18.877 4.297 -0.749 1.00 0.78 H new ATOM 0 HB3 PHE B 64 18.478 2.591 -0.743 1.00 0.78 H new ATOM 0 HD1 PHE B 64 20.446 5.102 1.212 1.00 0.98 H new ATOM 0 HD2 PHE B 64 18.162 1.507 1.298 1.00 0.89 H new ATOM 0 HE1 PHE B 64 20.563 5.086 3.665 1.00 1.07 H new ATOM 0 HE2 PHE B 64 18.273 1.496 3.752 1.00 1.01 H new ATOM 0 HZ PHE B 64 19.473 3.287 4.939 1.00 1.06 H new ATOM 1483 N ASP B 65 20.124 0.621 -1.079 1.00 0.82 N ATOM 1484 CA ASP B 65 20.008 -0.710 -1.658 1.00 0.85 C ATOM 1485 C ASP B 65 18.773 -0.786 -2.545 1.00 0.82 C ATOM 1486 O ASP B 65 18.847 -0.587 -3.757 1.00 0.92 O ATOM 1487 CB ASP B 65 19.917 -1.777 -0.563 1.00 0.87 C ATOM 1488 CG ASP B 65 21.228 -2.006 0.159 1.00 1.21 C ATOM 1489 OD1 ASP B 65 22.290 -1.702 -0.419 1.00 1.57 O ATOM 1490 OD2 ASP B 65 21.198 -2.508 1.306 1.00 1.81 O ATOM 0 H ASP B 65 19.913 0.669 -0.082 1.00 0.82 H new ATOM 0 HA ASP B 65 20.900 -0.899 -2.256 1.00 0.85 H new ATOM 0 HB2 ASP B 65 19.158 -1.481 0.161 1.00 0.87 H new ATOM 0 HB3 ASP B 65 19.585 -2.716 -1.007 1.00 0.87 H new ATOM 1495 N TYR B 66 17.632 -1.046 -1.926 1.00 0.72 N ATOM 1496 CA TYR B 66 16.373 -1.146 -2.650 1.00 0.72 C ATOM 1497 C TYR B 66 15.385 -0.126 -2.105 1.00 0.59 C ATOM 1498 O TYR B 66 15.263 0.033 -0.894 1.00 0.54 O ATOM 1499 CB TYR B 66 15.778 -2.553 -2.514 1.00 0.83 C ATOM 1500 CG TYR B 66 16.715 -3.673 -2.923 1.00 1.06 C ATOM 1501 CD1 TYR B 66 16.838 -4.054 -4.253 1.00 1.21 C ATOM 1502 CD2 TYR B 66 17.472 -4.352 -1.973 1.00 1.26 C ATOM 1503 CE1 TYR B 66 17.690 -5.081 -4.625 1.00 1.48 C ATOM 1504 CE2 TYR B 66 18.325 -5.377 -2.339 1.00 1.52 C ATOM 1505 CZ TYR B 66 18.430 -5.737 -3.665 1.00 1.62 C ATOM 1506 OH TYR B 66 19.278 -6.761 -4.031 1.00 1.92 O ATOM 0 H TYR B 66 17.551 -1.192 -0.920 1.00 0.72 H new ATOM 0 HA TYR B 66 16.566 -0.947 -3.704 1.00 0.72 H new ATOM 0 HB2 TYR B 66 15.477 -2.708 -1.478 1.00 0.83 H new ATOM 0 HB3 TYR B 66 14.874 -2.612 -3.121 1.00 0.83 H new ATOM 0 HD1 TYR B 66 16.261 -3.542 -5.009 1.00 1.21 H new ATOM 0 HD2 TYR B 66 17.392 -4.074 -0.933 1.00 1.26 H new ATOM 0 HE1 TYR B 66 17.774 -5.366 -5.663 1.00 1.48 H new ATOM 0 HE2 TYR B 66 18.906 -5.893 -1.589 1.00 1.52 H new ATOM 0 HH TYR B 66 19.725 -7.116 -3.234 1.00 1.92 H new ATOM 1516 N VAL B 67 14.696 0.580 -2.986 1.00 0.71 N ATOM 1517 CA VAL B 67 13.719 1.567 -2.549 1.00 0.61 C ATOM 1518 C VAL B 67 12.354 1.255 -3.148 1.00 0.64 C ATOM 1519 O VAL B 67 12.257 0.627 -4.207 1.00 0.73 O ATOM 1520 CB VAL B 67 14.129 3.021 -2.906 1.00 0.65 C ATOM 1521 CG1 VAL B 67 15.568 3.301 -2.487 1.00 0.70 C ATOM 1522 CG2 VAL B 67 13.933 3.300 -4.390 1.00 0.73 C ATOM 0 H VAL B 67 14.792 0.491 -3.998 1.00 0.71 H new ATOM 0 HA VAL B 67 13.673 1.504 -1.462 1.00 0.61 H new ATOM 0 HB VAL B 67 13.477 3.695 -2.350 1.00 0.65 H new ATOM 0 HG11 VAL B 67 15.830 4.326 -2.748 1.00 0.70 H new ATOM 0 HG12 VAL B 67 15.666 3.165 -1.410 1.00 0.70 H new ATOM 0 HG13 VAL B 67 16.238 2.613 -3.003 1.00 0.70 H new ATOM 0 HG21 VAL B 67 14.229 4.326 -4.609 1.00 0.73 H new ATOM 0 HG22 VAL B 67 14.546 2.613 -4.973 1.00 0.73 H new ATOM 0 HG23 VAL B 67 12.884 3.161 -4.651 1.00 0.73 H new ATOM 1532 N PHE B 68 11.307 1.673 -2.461 1.00 0.64 N ATOM 1533 CA PHE B 68 9.953 1.444 -2.926 1.00 0.73 C ATOM 1534 C PHE B 68 9.213 2.766 -3.083 1.00 0.72 C ATOM 1535 O PHE B 68 9.183 3.588 -2.165 1.00 0.65 O ATOM 1536 CB PHE B 68 9.208 0.525 -1.948 1.00 0.81 C ATOM 1537 CG PHE B 68 7.723 0.459 -2.175 1.00 0.96 C ATOM 1538 CD1 PHE B 68 7.211 0.069 -3.402 1.00 0.98 C ATOM 1539 CD2 PHE B 68 6.839 0.790 -1.158 1.00 1.19 C ATOM 1540 CE1 PHE B 68 5.846 0.011 -3.613 1.00 1.18 C ATOM 1541 CE2 PHE B 68 5.474 0.736 -1.363 1.00 1.37 C ATOM 1542 CZ PHE B 68 4.977 0.345 -2.591 1.00 1.36 C ATOM 0 H PHE B 68 11.370 2.175 -1.575 1.00 0.64 H new ATOM 0 HA PHE B 68 9.996 0.957 -3.900 1.00 0.73 H new ATOM 0 HB2 PHE B 68 9.621 -0.481 -2.025 1.00 0.81 H new ATOM 0 HB3 PHE B 68 9.394 0.869 -0.930 1.00 0.81 H new ATOM 0 HD1 PHE B 68 7.886 -0.193 -4.203 1.00 0.98 H new ATOM 0 HD2 PHE B 68 7.223 1.093 -0.195 1.00 1.19 H new ATOM 0 HE1 PHE B 68 5.459 -0.295 -4.574 1.00 1.18 H new ATOM 0 HE2 PHE B 68 4.796 0.999 -0.564 1.00 1.37 H new ATOM 0 HZ PHE B 68 3.910 0.300 -2.753 1.00 1.36 H new ATOM 1552 N SER B 69 8.638 2.973 -4.259 1.00 0.84 N ATOM 1553 CA SER B 69 7.880 4.178 -4.539 1.00 0.90 C ATOM 1554 C SER B 69 6.441 3.998 -4.070 1.00 0.94 C ATOM 1555 O SER B 69 5.660 3.280 -4.697 1.00 1.09 O ATOM 1556 CB SER B 69 7.912 4.485 -6.037 1.00 1.10 C ATOM 1557 OG SER B 69 9.244 4.494 -6.527 1.00 1.04 O ATOM 0 H SER B 69 8.684 2.316 -5.038 1.00 0.84 H new ATOM 0 HA SER B 69 8.328 5.015 -4.003 1.00 0.90 H new ATOM 0 HB2 SER B 69 7.327 3.740 -6.577 1.00 1.10 H new ATOM 0 HB3 SER B 69 7.446 5.452 -6.223 1.00 1.10 H new ATOM 0 HG SER B 69 9.238 4.691 -7.487 1.00 1.04 H new ATOM 1563 N ILE B 70 6.103 4.640 -2.963 1.00 0.84 N ATOM 1564 CA ILE B 70 4.766 4.535 -2.399 1.00 0.91 C ATOM 1565 C ILE B 70 3.756 5.319 -3.230 1.00 1.06 C ATOM 1566 O ILE B 70 3.813 6.546 -3.314 1.00 1.32 O ATOM 1567 CB ILE B 70 4.723 5.026 -0.938 1.00 0.88 C ATOM 1568 CG1 ILE B 70 5.834 4.357 -0.120 1.00 0.74 C ATOM 1569 CG2 ILE B 70 3.359 4.743 -0.323 1.00 1.05 C ATOM 1570 CD1 ILE B 70 5.909 4.833 1.317 1.00 1.25 C ATOM 0 H ILE B 70 6.737 5.240 -2.436 1.00 0.84 H new ATOM 0 HA ILE B 70 4.499 3.478 -2.416 1.00 0.91 H new ATOM 0 HB ILE B 70 4.887 6.104 -0.926 1.00 0.88 H new ATOM 0 HG12 ILE B 70 5.678 3.278 -0.128 1.00 0.74 H new ATOM 0 HG13 ILE B 70 6.792 4.544 -0.605 1.00 0.74 H new ATOM 0 HG21 ILE B 70 3.345 5.095 0.708 1.00 1.05 H new ATOM 0 HG22 ILE B 70 2.588 5.260 -0.894 1.00 1.05 H new ATOM 0 HG23 ILE B 70 3.167 3.670 -0.343 1.00 1.05 H new ATOM 0 HD11 ILE B 70 6.719 4.314 1.830 1.00 1.25 H new ATOM 0 HD12 ILE B 70 6.097 5.907 1.335 1.00 1.25 H new ATOM 0 HD13 ILE B 70 4.966 4.621 1.820 1.00 1.25 H new ATOM 1582 N ASP B 71 2.848 4.582 -3.852 1.00 0.97 N ATOM 1583 CA ASP B 71 1.800 5.163 -4.684 1.00 1.14 C ATOM 1584 C ASP B 71 0.538 5.389 -3.856 1.00 1.17 C ATOM 1585 O ASP B 71 0.001 4.449 -3.273 1.00 1.23 O ATOM 1586 CB ASP B 71 1.512 4.222 -5.866 1.00 1.26 C ATOM 1587 CG ASP B 71 0.133 4.402 -6.474 1.00 1.04 C ATOM 1588 OD1 ASP B 71 -0.020 5.248 -7.377 1.00 1.48 O ATOM 1589 OD2 ASP B 71 -0.794 3.664 -6.080 1.00 1.52 O ATOM 0 H ASP B 71 2.815 3.564 -3.795 1.00 0.97 H new ATOM 0 HA ASP B 71 2.131 6.127 -5.069 1.00 1.14 H new ATOM 0 HB2 ASP B 71 2.263 4.385 -6.639 1.00 1.26 H new ATOM 0 HB3 ASP B 71 1.619 3.190 -5.531 1.00 1.26 H new ATOM 1594 N VAL B 72 0.089 6.638 -3.783 1.00 1.48 N ATOM 1595 CA VAL B 72 -1.109 6.979 -3.026 1.00 1.59 C ATOM 1596 C VAL B 72 -1.470 8.456 -3.201 1.00 1.63 C ATOM 1597 O VAL B 72 -2.645 8.807 -3.328 1.00 1.86 O ATOM 1598 CB VAL B 72 -0.955 6.644 -1.517 1.00 1.61 C ATOM 1599 CG1 VAL B 72 0.193 7.419 -0.882 1.00 1.82 C ATOM 1600 CG2 VAL B 72 -2.258 6.897 -0.773 1.00 1.87 C ATOM 0 H VAL B 72 0.538 7.432 -4.240 1.00 1.48 H new ATOM 0 HA VAL B 72 -1.919 6.369 -3.425 1.00 1.59 H new ATOM 0 HB VAL B 72 -0.714 5.584 -1.439 1.00 1.61 H new ATOM 0 HG11 VAL B 72 0.269 7.158 0.173 1.00 1.82 H new ATOM 0 HG12 VAL B 72 1.126 7.166 -1.386 1.00 1.82 H new ATOM 0 HG13 VAL B 72 0.007 8.489 -0.978 1.00 1.82 H new ATOM 0 HG21 VAL B 72 -2.127 6.656 0.282 1.00 1.87 H new ATOM 0 HG22 VAL B 72 -2.537 7.946 -0.874 1.00 1.87 H new ATOM 0 HG23 VAL B 72 -3.045 6.271 -1.194 1.00 1.87 H new ATOM 1610 N ASN B 73 -0.460 9.314 -3.235 1.00 1.47 N ATOM 1611 CA ASN B 73 -0.683 10.747 -3.383 1.00 1.57 C ATOM 1612 C ASN B 73 -0.209 11.244 -4.747 1.00 1.59 C ATOM 1613 O ASN B 73 0.989 11.309 -5.024 1.00 1.71 O ATOM 1614 CB ASN B 73 0.011 11.530 -2.253 1.00 1.67 C ATOM 1615 CG ASN B 73 1.515 11.298 -2.187 1.00 1.70 C ATOM 1616 OD1 ASN B 73 2.003 10.195 -2.438 1.00 1.96 O ATOM 1617 ND2 ASN B 73 2.254 12.337 -1.838 1.00 1.91 N ATOM 0 H ASN B 73 0.521 9.044 -3.162 1.00 1.47 H new ATOM 0 HA ASN B 73 -1.757 10.922 -3.315 1.00 1.57 H new ATOM 0 HB2 ASN B 73 -0.179 12.595 -2.390 1.00 1.67 H new ATOM 0 HB3 ASN B 73 -0.434 11.247 -1.299 1.00 1.67 H new ATOM 0 HD21 ASN B 73 3.267 12.242 -1.768 1.00 1.91 H new ATOM 0 HD22 ASN B 73 1.811 13.234 -1.638 1.00 1.91 H new ATOM 1624 N GLU B 74 -1.158 11.567 -5.610 1.00 1.59 N ATOM 1625 CA GLU B 74 -0.833 12.069 -6.936 1.00 1.64 C ATOM 1626 C GLU B 74 -0.782 13.592 -6.923 1.00 1.66 C ATOM 1627 O GLU B 74 -1.712 14.250 -6.447 1.00 1.76 O ATOM 1628 CB GLU B 74 -1.852 11.583 -7.967 1.00 1.78 C ATOM 1629 CG GLU B 74 -1.280 11.480 -9.371 1.00 2.27 C ATOM 1630 CD GLU B 74 -0.306 10.329 -9.517 1.00 2.16 C ATOM 1631 OE1 GLU B 74 0.888 10.501 -9.186 1.00 2.62 O ATOM 1632 OE2 GLU B 74 -0.729 9.247 -9.972 1.00 2.14 O ATOM 0 H GLU B 74 -2.157 11.491 -5.418 1.00 1.59 H new ATOM 0 HA GLU B 74 0.147 11.684 -7.217 1.00 1.64 H new ATOM 0 HB2 GLU B 74 -2.230 10.607 -7.663 1.00 1.78 H new ATOM 0 HB3 GLU B 74 -2.702 12.265 -7.977 1.00 1.78 H new ATOM 0 HG2 GLU B 74 -2.095 11.355 -10.084 1.00 2.27 H new ATOM 0 HG3 GLU B 74 -0.776 12.413 -9.624 1.00 2.27 H new ATOM 1639 N GLY B 75 0.308 14.146 -7.432 1.00 1.63 N ATOM 1640 CA GLY B 75 0.462 15.585 -7.466 1.00 1.68 C ATOM 1641 C GLY B 75 1.211 16.095 -6.255 1.00 1.56 C ATOM 1642 O GLY B 75 1.267 17.300 -6.004 1.00 1.71 O ATOM 0 H GLY B 75 1.091 13.622 -7.823 1.00 1.63 H new ATOM 0 HA2 GLY B 75 0.995 15.873 -8.372 1.00 1.68 H new ATOM 0 HA3 GLY B 75 -0.520 16.055 -7.511 1.00 1.68 H new ATOM 1646 N GLY B 76 1.785 15.172 -5.501 1.00 1.59 N ATOM 1647 CA GLY B 76 2.525 15.537 -4.314 1.00 1.48 C ATOM 1648 C GLY B 76 3.886 14.876 -4.275 1.00 1.42 C ATOM 1649 O GLY B 76 4.316 14.291 -5.272 1.00 1.49 O ATOM 0 H GLY B 76 1.751 14.171 -5.692 1.00 1.59 H new ATOM 0 HA2 GLY B 76 2.646 16.620 -4.279 1.00 1.48 H new ATOM 0 HA3 GLY B 76 1.957 15.251 -3.429 1.00 1.48 H new ATOM 1653 N PRO B 77 4.590 14.946 -3.137 1.00 1.37 N ATOM 1654 CA PRO B 77 5.915 14.339 -2.990 1.00 1.36 C ATOM 1655 C PRO B 77 5.852 12.812 -3.008 1.00 1.22 C ATOM 1656 O PRO B 77 5.128 12.200 -2.219 1.00 1.17 O ATOM 1657 CB PRO B 77 6.393 14.848 -1.626 1.00 1.41 C ATOM 1658 CG PRO B 77 5.145 15.161 -0.875 1.00 1.47 C ATOM 1659 CD PRO B 77 4.146 15.619 -1.902 1.00 1.43 C ATOM 0 HA PRO B 77 6.583 14.605 -3.810 1.00 1.36 H new ATOM 0 HB2 PRO B 77 6.987 14.094 -1.109 1.00 1.41 H new ATOM 0 HB3 PRO B 77 7.022 15.732 -1.732 1.00 1.41 H new ATOM 0 HG2 PRO B 77 4.781 14.283 -0.341 1.00 1.47 H new ATOM 0 HG3 PRO B 77 5.322 15.937 -0.130 1.00 1.47 H new ATOM 0 HD2 PRO B 77 3.130 15.331 -1.631 1.00 1.43 H new ATOM 0 HD3 PRO B 77 4.151 16.703 -2.012 1.00 1.43 H new ATOM 1667 N SER B 78 6.609 12.210 -3.915 1.00 1.24 N ATOM 1668 CA SER B 78 6.651 10.764 -4.045 1.00 1.16 C ATOM 1669 C SER B 78 7.448 10.159 -2.894 1.00 0.96 C ATOM 1670 O SER B 78 8.665 10.339 -2.812 1.00 0.91 O ATOM 1671 CB SER B 78 7.284 10.388 -5.386 1.00 1.33 C ATOM 1672 OG SER B 78 8.496 11.099 -5.585 1.00 1.66 O ATOM 0 H SER B 78 7.206 12.707 -4.576 1.00 1.24 H new ATOM 0 HA SER B 78 5.636 10.369 -4.009 1.00 1.16 H new ATOM 0 HB2 SER B 78 7.477 9.316 -5.415 1.00 1.33 H new ATOM 0 HB3 SER B 78 6.589 10.609 -6.196 1.00 1.33 H new ATOM 0 HG SER B 78 9.048 11.036 -4.778 1.00 1.66 H new ATOM 1678 N TYR B 79 6.757 9.465 -2.003 1.00 0.93 N ATOM 1679 CA TYR B 79 7.400 8.838 -0.859 1.00 0.77 C ATOM 1680 C TYR B 79 8.250 7.653 -1.307 1.00 0.70 C ATOM 1681 O TYR B 79 7.735 6.677 -1.860 1.00 0.70 O ATOM 1682 CB TYR B 79 6.354 8.377 0.157 1.00 0.82 C ATOM 1683 CG TYR B 79 5.584 9.505 0.804 1.00 0.98 C ATOM 1684 CD1 TYR B 79 6.165 10.292 1.790 1.00 1.03 C ATOM 1685 CD2 TYR B 79 4.272 9.780 0.434 1.00 1.22 C ATOM 1686 CE1 TYR B 79 5.464 11.319 2.389 1.00 1.25 C ATOM 1687 CE2 TYR B 79 3.565 10.805 1.031 1.00 1.40 C ATOM 1688 CZ TYR B 79 4.166 11.570 2.008 1.00 1.40 C ATOM 1689 OH TYR B 79 3.462 12.587 2.608 1.00 1.64 O ATOM 0 H TYR B 79 5.748 9.322 -2.051 1.00 0.93 H new ATOM 0 HA TYR B 79 8.048 9.575 -0.385 1.00 0.77 H new ATOM 0 HB2 TYR B 79 5.650 7.709 -0.340 1.00 0.82 H new ATOM 0 HB3 TYR B 79 6.850 7.797 0.935 1.00 0.82 H new ATOM 0 HD1 TYR B 79 7.183 10.097 2.093 1.00 1.03 H new ATOM 0 HD2 TYR B 79 3.799 9.183 -0.332 1.00 1.22 H new ATOM 0 HE1 TYR B 79 5.932 11.922 3.153 1.00 1.25 H new ATOM 0 HE2 TYR B 79 2.546 11.006 0.734 1.00 1.40 H new ATOM 0 HH TYR B 79 2.561 12.632 2.224 1.00 1.64 H new ATOM 1699 N LYS B 80 9.551 7.752 -1.085 1.00 0.71 N ATOM 1700 CA LYS B 80 10.479 6.695 -1.456 1.00 0.68 C ATOM 1701 C LYS B 80 11.029 6.022 -0.205 1.00 0.61 C ATOM 1702 O LYS B 80 11.867 6.591 0.491 1.00 0.62 O ATOM 1703 CB LYS B 80 11.636 7.261 -2.288 1.00 0.72 C ATOM 1704 CG LYS B 80 11.192 8.098 -3.478 1.00 0.93 C ATOM 1705 CD LYS B 80 10.526 7.248 -4.545 1.00 1.14 C ATOM 1706 CE LYS B 80 11.546 6.450 -5.348 1.00 1.42 C ATOM 1707 NZ LYS B 80 12.108 7.236 -6.479 1.00 2.09 N ATOM 0 H LYS B 80 9.991 8.561 -0.646 1.00 0.71 H new ATOM 0 HA LYS B 80 9.942 5.960 -2.056 1.00 0.68 H new ATOM 0 HB2 LYS B 80 12.269 7.871 -1.644 1.00 0.72 H new ATOM 0 HB3 LYS B 80 12.250 6.435 -2.647 1.00 0.72 H new ATOM 0 HG2 LYS B 80 10.499 8.869 -3.142 1.00 0.93 H new ATOM 0 HG3 LYS B 80 12.055 8.609 -3.906 1.00 0.93 H new ATOM 0 HD2 LYS B 80 9.817 6.565 -4.076 1.00 1.14 H new ATOM 0 HD3 LYS B 80 9.955 7.889 -5.217 1.00 1.14 H new ATOM 0 HE2 LYS B 80 12.355 6.132 -4.691 1.00 1.42 H new ATOM 0 HE3 LYS B 80 11.075 5.546 -5.734 1.00 1.42 H new ATOM 0 HZ1 LYS B 80 12.797 6.654 -6.997 1.00 2.09 H new ATOM 0 HZ2 LYS B 80 11.340 7.518 -7.121 1.00 2.09 H new ATOM 0 HZ3 LYS B 80 12.580 8.086 -6.110 1.00 2.09 H new ATOM 1721 N LEU B 81 10.549 4.820 0.079 1.00 0.59 N ATOM 1722 CA LEU B 81 10.994 4.078 1.255 1.00 0.58 C ATOM 1723 C LEU B 81 12.274 3.310 0.950 1.00 0.52 C ATOM 1724 O LEU B 81 12.296 2.455 0.064 1.00 0.50 O ATOM 1725 CB LEU B 81 9.902 3.109 1.721 1.00 0.65 C ATOM 1726 CG LEU B 81 10.161 2.435 3.075 1.00 0.73 C ATOM 1727 CD1 LEU B 81 8.881 2.374 3.893 1.00 0.81 C ATOM 1728 CD2 LEU B 81 10.729 1.034 2.888 1.00 0.96 C ATOM 0 H LEU B 81 9.852 4.336 -0.487 1.00 0.59 H new ATOM 0 HA LEU B 81 11.196 4.793 2.053 1.00 0.58 H new ATOM 0 HB2 LEU B 81 8.958 3.651 1.778 1.00 0.65 H new ATOM 0 HB3 LEU B 81 9.780 2.334 0.965 1.00 0.65 H new ATOM 0 HG LEU B 81 10.895 3.034 3.613 1.00 0.73 H new ATOM 0 HD11 LEU B 81 9.083 1.893 4.850 1.00 0.81 H new ATOM 0 HD12 LEU B 81 8.511 3.385 4.066 1.00 0.81 H new ATOM 0 HD13 LEU B 81 8.129 1.801 3.350 1.00 0.81 H new ATOM 0 HD21 LEU B 81 10.903 0.579 3.863 1.00 0.96 H new ATOM 0 HD22 LEU B 81 10.020 0.426 2.325 1.00 0.96 H new ATOM 0 HD23 LEU B 81 11.670 1.093 2.342 1.00 0.96 H new ATOM 1740 N PRO B 82 13.363 3.622 1.667 1.00 0.57 N ATOM 1741 CA PRO B 82 14.650 2.961 1.486 1.00 0.58 C ATOM 1742 C PRO B 82 14.799 1.712 2.358 1.00 0.59 C ATOM 1743 O PRO B 82 14.607 1.764 3.574 1.00 0.67 O ATOM 1744 CB PRO B 82 15.630 4.041 1.922 1.00 0.67 C ATOM 1745 CG PRO B 82 14.910 4.803 2.988 1.00 0.72 C ATOM 1746 CD PRO B 82 13.433 4.666 2.704 1.00 0.67 C ATOM 0 HA PRO B 82 14.797 2.601 0.468 1.00 0.58 H new ATOM 0 HB2 PRO B 82 16.554 3.606 2.302 1.00 0.67 H new ATOM 0 HB3 PRO B 82 15.902 4.688 1.088 1.00 0.67 H new ATOM 0 HG2 PRO B 82 15.152 4.408 3.975 1.00 0.72 H new ATOM 0 HG3 PRO B 82 15.209 5.851 2.982 1.00 0.72 H new ATOM 0 HD2 PRO B 82 12.880 4.378 3.598 1.00 0.67 H new ATOM 0 HD3 PRO B 82 13.005 5.605 2.354 1.00 0.67 H new ATOM 1754 N TYR B 83 15.147 0.596 1.734 1.00 0.60 N ATOM 1755 CA TYR B 83 15.330 -0.658 2.446 1.00 0.63 C ATOM 1756 C TYR B 83 16.752 -1.178 2.258 1.00 0.67 C ATOM 1757 O TYR B 83 17.291 -1.161 1.151 1.00 0.66 O ATOM 1758 CB TYR B 83 14.315 -1.705 1.962 1.00 0.63 C ATOM 1759 CG TYR B 83 14.500 -3.079 2.577 1.00 0.69 C ATOM 1760 CD1 TYR B 83 14.421 -3.261 3.953 1.00 0.72 C ATOM 1761 CD2 TYR B 83 14.755 -4.195 1.784 1.00 0.73 C ATOM 1762 CE1 TYR B 83 14.590 -4.508 4.520 1.00 0.79 C ATOM 1763 CE2 TYR B 83 14.923 -5.449 2.347 1.00 0.80 C ATOM 1764 CZ TYR B 83 14.840 -5.599 3.715 1.00 0.83 C ATOM 1765 OH TYR B 83 15.004 -6.846 4.282 1.00 0.91 O ATOM 0 H TYR B 83 15.309 0.535 0.729 1.00 0.60 H new ATOM 0 HA TYR B 83 15.164 -0.475 3.508 1.00 0.63 H new ATOM 0 HB2 TYR B 83 13.309 -1.351 2.187 1.00 0.63 H new ATOM 0 HB3 TYR B 83 14.388 -1.791 0.878 1.00 0.63 H new ATOM 0 HD1 TYR B 83 14.224 -2.411 4.590 1.00 0.72 H new ATOM 0 HD2 TYR B 83 14.823 -4.081 0.712 1.00 0.73 H new ATOM 0 HE1 TYR B 83 14.527 -4.629 5.591 1.00 0.79 H new ATOM 0 HE2 TYR B 83 15.118 -6.305 1.718 1.00 0.80 H new ATOM 0 HH TYR B 83 15.248 -6.747 5.226 1.00 0.91 H new ATOM 1775 N ASN B 84 17.360 -1.610 3.353 1.00 0.77 N ATOM 1776 CA ASN B 84 18.713 -2.151 3.323 1.00 0.84 C ATOM 1777 C ASN B 84 18.653 -3.665 3.234 1.00 0.81 C ATOM 1778 O ASN B 84 17.734 -4.281 3.773 1.00 0.80 O ATOM 1779 CB ASN B 84 19.490 -1.748 4.581 1.00 0.93 C ATOM 1780 CG ASN B 84 20.411 -0.561 4.365 1.00 1.33 C ATOM 1781 OD1 ASN B 84 20.484 0.325 5.214 1.00 2.02 O ATOM 1782 ND2 ASN B 84 21.135 -0.539 3.252 1.00 1.93 N ATOM 0 H ASN B 84 16.935 -1.596 4.280 1.00 0.77 H new ATOM 0 HA ASN B 84 19.226 -1.746 2.451 1.00 0.84 H new ATOM 0 HB2 ASN B 84 18.783 -1.510 5.375 1.00 0.93 H new ATOM 0 HB3 ASN B 84 20.080 -2.599 4.923 1.00 0.93 H new ATOM 0 HD21 ASN B 84 21.780 0.232 3.078 1.00 1.93 H new ATOM 0 HD22 ASN B 84 21.046 -1.293 2.571 1.00 1.93 H new ATOM 1789 N THR B 85 19.622 -4.257 2.555 1.00 0.83 N ATOM 1790 CA THR B 85 19.680 -5.707 2.404 1.00 0.83 C ATOM 1791 C THR B 85 19.765 -6.397 3.768 1.00 0.83 C ATOM 1792 O THR B 85 19.238 -7.492 3.960 1.00 0.96 O ATOM 1793 CB THR B 85 20.887 -6.125 1.540 1.00 0.94 C ATOM 1794 OG1 THR B 85 21.086 -5.170 0.487 1.00 1.11 O ATOM 1795 CG2 THR B 85 20.669 -7.509 0.936 1.00 1.17 C ATOM 0 H THR B 85 20.383 -3.756 2.097 1.00 0.83 H new ATOM 0 HA THR B 85 18.763 -6.020 1.905 1.00 0.83 H new ATOM 0 HB THR B 85 21.770 -6.158 2.179 1.00 0.94 H new ATOM 0 HG1 THR B 85 21.855 -5.439 -0.058 1.00 1.11 H new ATOM 0 HG21 THR B 85 21.533 -7.782 0.331 1.00 1.17 H new ATOM 0 HG22 THR B 85 20.540 -8.239 1.735 1.00 1.17 H new ATOM 0 HG23 THR B 85 19.777 -7.496 0.310 1.00 1.17 H new ATOM 1803 N SER B 86 20.417 -5.736 4.715 1.00 0.84 N ATOM 1804 CA SER B 86 20.572 -6.271 6.058 1.00 0.88 C ATOM 1805 C SER B 86 19.660 -5.547 7.050 1.00 0.91 C ATOM 1806 O SER B 86 20.112 -5.087 8.099 1.00 1.14 O ATOM 1807 CB SER B 86 22.035 -6.142 6.486 1.00 0.93 C ATOM 1808 OG SER B 86 22.665 -5.072 5.796 1.00 1.23 O ATOM 0 H SER B 86 20.849 -4.823 4.575 1.00 0.84 H new ATOM 0 HA SER B 86 20.284 -7.322 6.053 1.00 0.88 H new ATOM 0 HB2 SER B 86 22.091 -5.972 7.561 1.00 0.93 H new ATOM 0 HB3 SER B 86 22.563 -7.074 6.283 1.00 0.93 H new ATOM 0 HG SER B 86 23.599 -5.003 6.083 1.00 1.23 H new ATOM 1814 N ASP B 87 18.382 -5.444 6.717 1.00 0.85 N ATOM 1815 CA ASP B 87 17.425 -4.767 7.586 1.00 0.88 C ATOM 1816 C ASP B 87 16.142 -5.573 7.710 1.00 0.90 C ATOM 1817 O ASP B 87 15.828 -6.392 6.842 1.00 0.94 O ATOM 1818 CB ASP B 87 17.123 -3.366 7.052 1.00 0.89 C ATOM 1819 CG ASP B 87 16.922 -2.352 8.159 1.00 0.82 C ATOM 1820 OD1 ASP B 87 17.931 -1.845 8.694 1.00 1.13 O ATOM 1821 OD2 ASP B 87 15.759 -2.054 8.498 1.00 1.09 O ATOM 0 H ASP B 87 17.983 -5.818 5.856 1.00 0.85 H new ATOM 0 HA ASP B 87 17.868 -4.677 8.578 1.00 0.88 H new ATOM 0 HB2 ASP B 87 17.942 -3.041 6.411 1.00 0.89 H new ATOM 0 HB3 ASP B 87 16.228 -3.403 6.431 1.00 0.89 H new ATOM 1826 N ASP B 88 15.409 -5.338 8.788 1.00 0.94 N ATOM 1827 CA ASP B 88 14.156 -6.039 9.041 1.00 0.97 C ATOM 1828 C ASP B 88 12.984 -5.152 8.625 1.00 0.93 C ATOM 1829 O ASP B 88 12.911 -4.001 9.050 1.00 0.91 O ATOM 1830 CB ASP B 88 14.035 -6.396 10.527 1.00 1.06 C ATOM 1831 CG ASP B 88 13.436 -7.770 10.768 1.00 1.42 C ATOM 1832 OD1 ASP B 88 12.620 -8.227 9.947 1.00 1.60 O ATOM 1833 OD2 ASP B 88 13.785 -8.398 11.793 1.00 1.90 O ATOM 0 H ASP B 88 15.662 -4.661 9.508 1.00 0.94 H new ATOM 0 HA ASP B 88 14.141 -6.960 8.459 1.00 0.97 H new ATOM 0 HB2 ASP B 88 15.023 -6.353 10.986 1.00 1.06 H new ATOM 0 HB3 ASP B 88 13.419 -5.647 11.025 1.00 1.06 H new ATOM 1838 N PRO B 89 12.061 -5.674 7.789 1.00 0.94 N ATOM 1839 CA PRO B 89 10.894 -4.937 7.279 1.00 0.93 C ATOM 1840 C PRO B 89 10.202 -4.034 8.306 1.00 0.88 C ATOM 1841 O PRO B 89 9.914 -2.873 8.017 1.00 0.82 O ATOM 1842 CB PRO B 89 9.928 -6.048 6.825 1.00 0.99 C ATOM 1843 CG PRO B 89 10.622 -7.347 7.094 1.00 1.06 C ATOM 1844 CD PRO B 89 12.081 -7.034 7.248 1.00 0.99 C ATOM 0 HA PRO B 89 11.205 -4.248 6.493 1.00 0.93 H new ATOM 0 HB2 PRO B 89 8.986 -5.991 7.371 1.00 0.99 H new ATOM 0 HB3 PRO B 89 9.690 -5.947 5.766 1.00 0.99 H new ATOM 0 HG2 PRO B 89 10.230 -7.815 7.997 1.00 1.06 H new ATOM 0 HG3 PRO B 89 10.461 -8.048 6.275 1.00 1.06 H new ATOM 0 HD2 PRO B 89 12.576 -7.732 7.924 1.00 0.99 H new ATOM 0 HD3 PRO B 89 12.609 -7.084 6.296 1.00 0.99 H new ATOM 1852 N TRP B 90 9.944 -4.566 9.493 1.00 0.93 N ATOM 1853 CA TRP B 90 9.264 -3.807 10.547 1.00 0.92 C ATOM 1854 C TRP B 90 10.076 -2.585 10.976 1.00 0.91 C ATOM 1855 O TRP B 90 9.517 -1.524 11.261 1.00 0.92 O ATOM 1856 CB TRP B 90 8.995 -4.700 11.765 1.00 1.02 C ATOM 1857 CG TRP B 90 9.077 -6.167 11.467 1.00 1.06 C ATOM 1858 CD1 TRP B 90 10.102 -7.004 11.786 1.00 1.19 C ATOM 1859 CD2 TRP B 90 8.103 -6.966 10.783 1.00 1.27 C ATOM 1860 NE1 TRP B 90 9.831 -8.273 11.342 1.00 1.42 N ATOM 1861 CE2 TRP B 90 8.610 -8.276 10.724 1.00 1.46 C ATOM 1862 CE3 TRP B 90 6.856 -6.702 10.217 1.00 1.50 C ATOM 1863 CZ2 TRP B 90 7.912 -9.319 10.122 1.00 1.81 C ATOM 1864 CZ3 TRP B 90 6.165 -7.736 9.619 1.00 1.84 C ATOM 1865 CH2 TRP B 90 6.695 -9.031 9.574 1.00 1.97 C ATOM 0 H TRP B 90 10.193 -5.520 9.755 1.00 0.93 H new ATOM 0 HA TRP B 90 8.316 -3.460 10.136 1.00 0.92 H new ATOM 0 HB2 TRP B 90 9.713 -4.457 12.548 1.00 1.02 H new ATOM 0 HB3 TRP B 90 8.004 -4.473 12.159 1.00 1.02 H new ATOM 0 HD1 TRP B 90 10.998 -6.711 12.312 1.00 1.19 H new ATOM 0 HE1 TRP B 90 10.441 -9.083 11.454 1.00 1.42 H new ATOM 0 HE3 TRP B 90 6.439 -5.706 10.246 1.00 1.50 H new ATOM 0 HZ2 TRP B 90 8.318 -10.319 10.090 1.00 1.81 H new ATOM 0 HZ3 TRP B 90 5.198 -7.543 9.178 1.00 1.84 H new ATOM 0 HH2 TRP B 90 6.130 -9.818 9.096 1.00 1.97 H new ATOM 1876 N LEU B 91 11.393 -2.730 10.991 1.00 0.95 N ATOM 1877 CA LEU B 91 12.273 -1.648 11.402 1.00 0.97 C ATOM 1878 C LEU B 91 12.377 -0.581 10.321 1.00 0.88 C ATOM 1879 O LEU B 91 12.236 0.610 10.603 1.00 0.88 O ATOM 1880 CB LEU B 91 13.664 -2.191 11.728 1.00 1.07 C ATOM 1881 CG LEU B 91 13.722 -3.203 12.872 1.00 1.11 C ATOM 1882 CD1 LEU B 91 15.161 -3.627 13.118 1.00 1.24 C ATOM 1883 CD2 LEU B 91 13.108 -2.622 14.139 1.00 1.17 C ATOM 0 H LEU B 91 11.875 -3.588 10.723 1.00 0.95 H new ATOM 0 HA LEU B 91 11.846 -1.191 12.295 1.00 0.97 H new ATOM 0 HB2 LEU B 91 14.072 -2.658 10.832 1.00 1.07 H new ATOM 0 HB3 LEU B 91 14.314 -1.352 11.975 1.00 1.07 H new ATOM 0 HG LEU B 91 13.141 -4.081 12.590 1.00 1.11 H new ATOM 0 HD11 LEU B 91 15.193 -4.348 13.935 1.00 1.24 H new ATOM 0 HD12 LEU B 91 15.565 -4.084 12.215 1.00 1.24 H new ATOM 0 HD13 LEU B 91 15.758 -2.754 13.381 1.00 1.24 H new ATOM 0 HD21 LEU B 91 13.160 -3.360 14.940 1.00 1.17 H new ATOM 0 HD22 LEU B 91 13.658 -1.728 14.433 1.00 1.17 H new ATOM 0 HD23 LEU B 91 12.066 -2.362 13.952 1.00 1.17 H new ATOM 1895 N THR B 92 12.611 -1.012 9.085 1.00 0.81 N ATOM 1896 CA THR B 92 12.744 -0.089 7.964 1.00 0.74 C ATOM 1897 C THR B 92 11.436 0.652 7.699 1.00 0.69 C ATOM 1898 O THR B 92 11.442 1.822 7.303 1.00 0.68 O ATOM 1899 CB THR B 92 13.194 -0.828 6.691 1.00 0.73 C ATOM 1900 OG1 THR B 92 13.546 -2.177 7.016 1.00 0.79 O ATOM 1901 CG2 THR B 92 14.390 -0.128 6.065 1.00 0.84 C ATOM 0 H THR B 92 12.712 -1.996 8.835 1.00 0.81 H new ATOM 0 HA THR B 92 13.507 0.641 8.234 1.00 0.74 H new ATOM 0 HB THR B 92 12.371 -0.826 5.976 1.00 0.73 H new ATOM 0 HG1 THR B 92 14.341 -2.179 7.589 1.00 0.79 H new ATOM 0 HG21 THR B 92 14.695 -0.663 5.166 1.00 0.84 H new ATOM 0 HG22 THR B 92 14.117 0.894 5.803 1.00 0.84 H new ATOM 0 HG23 THR B 92 15.216 -0.113 6.776 1.00 0.84 H new ATOM 1909 N ALA B 93 10.320 -0.026 7.930 1.00 0.72 N ATOM 1910 CA ALA B 93 9.012 0.577 7.733 1.00 0.74 C ATOM 1911 C ALA B 93 8.803 1.717 8.721 1.00 0.78 C ATOM 1912 O ALA B 93 8.374 2.809 8.345 1.00 0.78 O ATOM 1913 CB ALA B 93 7.913 -0.462 7.884 1.00 0.82 C ATOM 0 H ALA B 93 10.296 -0.993 8.254 1.00 0.72 H new ATOM 0 HA ALA B 93 8.967 0.978 6.720 1.00 0.74 H new ATOM 0 HB1 ALA B 93 6.942 0.010 7.733 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.053 -1.250 7.143 1.00 0.82 H new ATOM 0 HB3 ALA B 93 7.955 -0.893 8.884 1.00 0.82 H new ATOM 1919 N TYR B 94 9.128 1.456 9.983 1.00 0.82 N ATOM 1920 CA TYR B 94 8.983 2.452 11.041 1.00 0.90 C ATOM 1921 C TYR B 94 9.980 3.589 10.846 1.00 0.88 C ATOM 1922 O TYR B 94 9.689 4.743 11.163 1.00 0.90 O ATOM 1923 CB TYR B 94 9.187 1.803 12.414 1.00 0.98 C ATOM 1924 CG TYR B 94 8.294 2.372 13.499 1.00 1.23 C ATOM 1925 CD1 TYR B 94 8.450 3.679 13.949 1.00 1.54 C ATOM 1926 CD2 TYR B 94 7.297 1.596 14.074 1.00 1.31 C ATOM 1927 CE1 TYR B 94 7.641 4.194 14.942 1.00 1.80 C ATOM 1928 CE2 TYR B 94 6.481 2.105 15.067 1.00 1.60 C ATOM 1929 CZ TYR B 94 6.656 3.402 15.497 1.00 1.79 C ATOM 1930 OH TYR B 94 5.849 3.908 16.491 1.00 2.10 O ATOM 0 H TYR B 94 9.495 0.559 10.300 1.00 0.82 H new ATOM 0 HA TYR B 94 7.974 2.862 10.991 1.00 0.90 H new ATOM 0 HB2 TYR B 94 9.003 0.732 12.330 1.00 0.98 H new ATOM 0 HB3 TYR B 94 10.228 1.925 12.712 1.00 0.98 H new ATOM 0 HD1 TYR B 94 9.218 4.302 13.514 1.00 1.54 H new ATOM 0 HD2 TYR B 94 7.157 0.578 13.740 1.00 1.31 H new ATOM 0 HE1 TYR B 94 7.778 5.210 15.282 1.00 1.80 H new ATOM 0 HE2 TYR B 94 5.709 1.488 15.504 1.00 1.60 H new ATOM 0 HH TYR B 94 5.207 3.223 16.772 1.00 2.10 H new ATOM 1940 N ASN B 95 11.150 3.248 10.314 1.00 0.85 N ATOM 1941 CA ASN B 95 12.208 4.224 10.062 1.00 0.85 C ATOM 1942 C ASN B 95 11.704 5.356 9.170 1.00 0.81 C ATOM 1943 O ASN B 95 11.747 6.526 9.551 1.00 0.83 O ATOM 1944 CB ASN B 95 13.411 3.541 9.405 1.00 0.86 C ATOM 1945 CG ASN B 95 14.701 4.319 9.588 1.00 1.08 C ATOM 1946 OD1 ASN B 95 14.691 5.537 9.775 1.00 1.53 O ATOM 1947 ND2 ASN B 95 15.826 3.619 9.530 1.00 1.29 N ATOM 0 H ASN B 95 11.392 2.294 10.046 1.00 0.85 H new ATOM 0 HA ASN B 95 12.514 4.648 11.019 1.00 0.85 H new ATOM 0 HB2 ASN B 95 13.531 2.543 9.826 1.00 0.86 H new ATOM 0 HB3 ASN B 95 13.215 3.416 8.340 1.00 0.86 H new ATOM 0 HD21 ASN B 95 16.725 4.088 9.642 1.00 1.29 H new ATOM 0 HD22 ASN B 95 15.792 2.612 9.374 1.00 1.29 H new ATOM 1954 N PHE B 96 11.204 5.001 7.992 1.00 0.78 N ATOM 1955 CA PHE B 96 10.696 5.993 7.051 1.00 0.76 C ATOM 1956 C PHE B 96 9.395 6.605 7.563 1.00 0.79 C ATOM 1957 O PHE B 96 9.115 7.784 7.326 1.00 0.79 O ATOM 1958 CB PHE B 96 10.476 5.360 5.676 1.00 0.75 C ATOM 1959 CG PHE B 96 10.107 6.351 4.608 1.00 0.75 C ATOM 1960 CD1 PHE B 96 11.060 7.209 4.079 1.00 0.74 C ATOM 1961 CD2 PHE B 96 8.805 6.433 4.140 1.00 0.79 C ATOM 1962 CE1 PHE B 96 10.720 8.125 3.103 1.00 0.75 C ATOM 1963 CE2 PHE B 96 8.462 7.348 3.165 1.00 0.79 C ATOM 1964 CZ PHE B 96 9.421 8.195 2.647 1.00 0.77 C ATOM 0 H PHE B 96 11.139 4.037 7.666 1.00 0.78 H new ATOM 0 HA PHE B 96 11.438 6.786 6.958 1.00 0.76 H new ATOM 0 HB2 PHE B 96 11.385 4.838 5.377 1.00 0.75 H new ATOM 0 HB3 PHE B 96 9.688 4.611 5.752 1.00 0.75 H new ATOM 0 HD1 PHE B 96 12.079 7.160 4.434 1.00 0.74 H new ATOM 0 HD2 PHE B 96 8.050 5.774 4.543 1.00 0.79 H new ATOM 0 HE1 PHE B 96 11.471 8.786 2.697 1.00 0.75 H new ATOM 0 HE2 PHE B 96 7.444 7.401 2.808 1.00 0.79 H new ATOM 0 HZ PHE B 96 9.154 8.912 1.885 1.00 0.77 H new ATOM 1974 N LEU B 97 8.618 5.798 8.278 1.00 0.82 N ATOM 1975 CA LEU B 97 7.344 6.237 8.833 1.00 0.87 C ATOM 1976 C LEU B 97 7.518 7.451 9.740 1.00 0.88 C ATOM 1977 O LEU B 97 6.822 8.453 9.584 1.00 0.91 O ATOM 1978 CB LEU B 97 6.689 5.101 9.619 1.00 0.93 C ATOM 1979 CG LEU B 97 5.238 4.793 9.248 1.00 1.18 C ATOM 1980 CD1 LEU B 97 5.146 4.275 7.821 1.00 1.34 C ATOM 1981 CD2 LEU B 97 4.650 3.783 10.221 1.00 1.44 C ATOM 0 H LEU B 97 8.852 4.828 8.488 1.00 0.82 H new ATOM 0 HA LEU B 97 6.703 6.522 7.999 1.00 0.87 H new ATOM 0 HB2 LEU B 97 7.281 4.197 9.478 1.00 0.93 H new ATOM 0 HB3 LEU B 97 6.730 5.347 10.680 1.00 0.93 H new ATOM 0 HG LEU B 97 4.662 5.716 9.312 1.00 1.18 H new ATOM 0 HD11 LEU B 97 4.105 4.062 7.578 1.00 1.34 H new ATOM 0 HD12 LEU B 97 5.532 5.029 7.135 1.00 1.34 H new ATOM 0 HD13 LEU B 97 5.735 3.362 7.727 1.00 1.34 H new ATOM 0 HD21 LEU B 97 3.617 3.572 9.946 1.00 1.44 H new ATOM 0 HD22 LEU B 97 5.231 2.861 10.184 1.00 1.44 H new ATOM 0 HD23 LEU B 97 4.681 4.191 11.231 1.00 1.44 H new ATOM 1993 N GLN B 98 8.449 7.364 10.682 1.00 0.88 N ATOM 1994 CA GLN B 98 8.698 8.466 11.608 1.00 0.90 C ATOM 1995 C GLN B 98 9.460 9.592 10.914 1.00 0.89 C ATOM 1996 O GLN B 98 9.330 10.762 11.279 1.00 0.99 O ATOM 1997 CB GLN B 98 9.484 7.972 12.831 1.00 0.93 C ATOM 1998 CG GLN B 98 10.963 7.747 12.555 1.00 1.00 C ATOM 1999 CD GLN B 98 11.679 7.056 13.695 1.00 1.16 C ATOM 2000 OE1 GLN B 98 11.288 7.169 14.854 1.00 1.39 O ATOM 2001 NE2 GLN B 98 12.747 6.347 13.370 1.00 1.27 N ATOM 0 H GLN B 98 9.042 6.547 10.826 1.00 0.88 H new ATOM 0 HA GLN B 98 7.736 8.854 11.942 1.00 0.90 H new ATOM 0 HB2 GLN B 98 9.380 8.699 13.637 1.00 0.93 H new ATOM 0 HB3 GLN B 98 9.043 7.040 13.183 1.00 0.93 H new ATOM 0 HG2 GLN B 98 11.071 7.149 11.650 1.00 1.00 H new ATOM 0 HG3 GLN B 98 11.441 8.707 12.362 1.00 1.00 H new ATOM 0 HE21 GLN B 98 13.037 6.280 12.394 1.00 1.27 H new ATOM 0 HE22 GLN B 98 13.281 5.868 14.095 1.00 1.27 H new ATOM 2010 N LYS B 99 10.242 9.223 9.906 1.00 0.82 N ATOM 2011 CA LYS B 99 11.050 10.173 9.155 1.00 0.81 C ATOM 2012 C LYS B 99 10.183 11.211 8.443 1.00 0.84 C ATOM 2013 O LYS B 99 10.349 12.414 8.648 1.00 0.90 O ATOM 2014 CB LYS B 99 11.921 9.423 8.144 1.00 0.75 C ATOM 2015 CG LYS B 99 12.854 10.318 7.350 1.00 0.87 C ATOM 2016 CD LYS B 99 12.588 10.209 5.860 1.00 1.04 C ATOM 2017 CE LYS B 99 13.484 11.147 5.068 1.00 1.21 C ATOM 2018 NZ LYS B 99 12.734 11.851 3.996 1.00 1.69 N ATOM 0 H LYS B 99 10.333 8.258 9.588 1.00 0.82 H new ATOM 0 HA LYS B 99 11.688 10.707 9.859 1.00 0.81 H new ATOM 0 HB2 LYS B 99 12.513 8.677 8.673 1.00 0.75 H new ATOM 0 HB3 LYS B 99 11.274 8.884 7.452 1.00 0.75 H new ATOM 0 HG2 LYS B 99 12.728 11.353 7.669 1.00 0.87 H new ATOM 0 HG3 LYS B 99 13.888 10.044 7.558 1.00 0.87 H new ATOM 0 HD2 LYS B 99 12.754 9.182 5.533 1.00 1.04 H new ATOM 0 HD3 LYS B 99 11.543 10.443 5.657 1.00 1.04 H new ATOM 0 HE2 LYS B 99 13.929 11.879 5.741 1.00 1.21 H new ATOM 0 HE3 LYS B 99 14.304 10.580 4.626 1.00 1.21 H new ATOM 0 HZ1 LYS B 99 13.099 12.820 3.896 1.00 1.69 H new ATOM 0 HZ2 LYS B 99 12.853 11.341 3.097 1.00 1.69 H new ATOM 0 HZ3 LYS B 99 11.725 11.885 4.244 1.00 1.69 H new ATOM 2032 N ASN B 100 9.249 10.746 7.623 1.00 0.85 N ATOM 2033 CA ASN B 100 8.380 11.651 6.871 1.00 0.94 C ATOM 2034 C ASN B 100 7.065 11.899 7.597 1.00 0.99 C ATOM 2035 O ASN B 100 6.185 12.583 7.079 1.00 1.09 O ATOM 2036 CB ASN B 100 8.109 11.102 5.472 1.00 0.97 C ATOM 2037 CG ASN B 100 8.976 11.760 4.416 1.00 1.10 C ATOM 2038 OD1 ASN B 100 10.077 11.301 4.125 1.00 1.14 O ATOM 2039 ND2 ASN B 100 8.486 12.844 3.836 1.00 1.50 N ATOM 0 H ASN B 100 9.072 9.755 7.460 1.00 0.85 H new ATOM 0 HA ASN B 100 8.902 12.604 6.784 1.00 0.94 H new ATOM 0 HB2 ASN B 100 8.286 10.027 5.466 1.00 0.97 H new ATOM 0 HB3 ASN B 100 7.059 11.253 5.222 1.00 0.97 H new ATOM 0 HD21 ASN B 100 9.028 13.328 3.120 1.00 1.50 H new ATOM 0 HD22 ASN B 100 7.567 13.195 4.105 1.00 1.50 H new ATOM 2046 N ASP B 101 6.947 11.332 8.795 1.00 0.96 N ATOM 2047 CA ASP B 101 5.751 11.480 9.628 1.00 1.05 C ATOM 2048 C ASP B 101 4.511 10.924 8.941 1.00 1.06 C ATOM 2049 O ASP B 101 3.604 11.669 8.564 1.00 1.14 O ATOM 2050 CB ASP B 101 5.523 12.942 10.020 1.00 1.15 C ATOM 2051 CG ASP B 101 6.022 13.248 11.411 1.00 1.24 C ATOM 2052 OD1 ASP B 101 5.794 12.428 12.327 1.00 1.37 O ATOM 2053 OD2 ASP B 101 6.653 14.310 11.597 1.00 1.97 O ATOM 0 H ASP B 101 7.676 10.757 9.218 1.00 0.96 H new ATOM 0 HA ASP B 101 5.925 10.900 10.534 1.00 1.05 H new ATOM 0 HB2 ASP B 101 6.029 13.590 9.304 1.00 1.15 H new ATOM 0 HB3 ASP B 101 4.459 13.170 9.960 1.00 1.15 H new ATOM 2058 N LEU B 102 4.479 9.615 8.774 1.00 1.03 N ATOM 2059 CA LEU B 102 3.346 8.953 8.153 1.00 1.06 C ATOM 2060 C LEU B 102 2.462 8.331 9.223 1.00 1.13 C ATOM 2061 O LEU B 102 2.713 8.498 10.420 1.00 1.21 O ATOM 2062 CB LEU B 102 3.807 7.862 7.173 1.00 0.99 C ATOM 2063 CG LEU B 102 4.294 8.345 5.801 1.00 1.12 C ATOM 2064 CD1 LEU B 102 3.527 9.581 5.352 1.00 1.66 C ATOM 2065 CD2 LEU B 102 5.793 8.615 5.827 1.00 1.51 C ATOM 0 H LEU B 102 5.229 8.986 9.061 1.00 1.03 H new ATOM 0 HA LEU B 102 2.782 9.701 7.595 1.00 1.06 H new ATOM 0 HB2 LEU B 102 4.612 7.298 7.643 1.00 0.99 H new ATOM 0 HB3 LEU B 102 2.980 7.169 7.018 1.00 0.99 H new ATOM 0 HG LEU B 102 4.103 7.553 5.077 1.00 1.12 H new ATOM 0 HD11 LEU B 102 3.893 9.902 4.377 1.00 1.66 H new ATOM 0 HD12 LEU B 102 2.465 9.345 5.282 1.00 1.66 H new ATOM 0 HD13 LEU B 102 3.673 10.383 6.076 1.00 1.66 H new ATOM 0 HD21 LEU B 102 6.118 8.957 4.844 1.00 1.51 H new ATOM 0 HD22 LEU B 102 6.012 9.383 6.569 1.00 1.51 H new ATOM 0 HD23 LEU B 102 6.323 7.699 6.086 1.00 1.51 H new ATOM 2077 N ASN B 103 1.434 7.625 8.792 1.00 1.17 N ATOM 2078 CA ASN B 103 0.524 6.969 9.712 1.00 1.23 C ATOM 2079 C ASN B 103 0.995 5.541 9.972 1.00 1.14 C ATOM 2080 O ASN B 103 1.411 4.852 9.041 1.00 1.05 O ATOM 2081 CB ASN B 103 -0.895 6.953 9.138 1.00 1.31 C ATOM 2082 CG ASN B 103 -1.933 6.552 10.168 1.00 1.41 C ATOM 2083 OD1 ASN B 103 -2.095 5.373 10.479 1.00 1.27 O ATOM 2084 ND2 ASN B 103 -2.645 7.529 10.703 1.00 1.75 N ATOM 0 H ASN B 103 1.208 7.491 7.807 1.00 1.17 H new ATOM 0 HA ASN B 103 0.514 7.522 10.651 1.00 1.23 H new ATOM 0 HB2 ASN B 103 -1.137 7.942 8.749 1.00 1.31 H new ATOM 0 HB3 ASN B 103 -0.936 6.261 8.297 1.00 1.31 H new ATOM 0 HD21 ASN B 103 -3.359 7.317 11.400 1.00 1.75 H new ATOM 0 HD22 ASN B 103 -2.481 8.495 10.419 1.00 1.75 H new ATOM 2091 N PRO B 104 0.955 5.083 11.238 1.00 1.18 N ATOM 2092 CA PRO B 104 1.371 3.721 11.610 1.00 1.12 C ATOM 2093 C PRO B 104 0.676 2.634 10.787 1.00 1.04 C ATOM 2094 O PRO B 104 1.186 1.522 10.655 1.00 1.02 O ATOM 2095 CB PRO B 104 0.959 3.619 13.078 1.00 1.22 C ATOM 2096 CG PRO B 104 0.987 5.022 13.572 1.00 1.34 C ATOM 2097 CD PRO B 104 0.536 5.868 12.417 1.00 1.30 C ATOM 0 HA PRO B 104 2.435 3.564 11.430 1.00 1.12 H new ATOM 0 HB2 PRO B 104 -0.034 3.182 13.182 1.00 1.22 H new ATOM 0 HB3 PRO B 104 1.646 2.987 13.640 1.00 1.22 H new ATOM 0 HG2 PRO B 104 0.328 5.148 14.431 1.00 1.34 H new ATOM 0 HG3 PRO B 104 1.989 5.303 13.896 1.00 1.34 H new ATOM 0 HD2 PRO B 104 -0.542 6.027 12.432 1.00 1.30 H new ATOM 0 HD3 PRO B 104 1.004 6.852 12.432 1.00 1.30 H new ATOM 2105 N MET B 105 -0.479 2.965 10.226 1.00 1.03 N ATOM 2106 CA MET B 105 -1.246 2.029 9.411 1.00 1.01 C ATOM 2107 C MET B 105 -0.513 1.703 8.108 1.00 1.00 C ATOM 2108 O MET B 105 -0.702 0.634 7.528 1.00 1.03 O ATOM 2109 CB MET B 105 -2.618 2.619 9.093 1.00 1.05 C ATOM 2110 CG MET B 105 -3.777 1.707 9.453 1.00 1.03 C ATOM 2111 SD MET B 105 -5.371 2.532 9.308 1.00 1.43 S ATOM 2112 CE MET B 105 -5.171 3.880 10.469 1.00 1.60 C ATOM 0 H MET B 105 -0.910 3.885 10.321 1.00 1.03 H new ATOM 0 HA MET B 105 -1.366 1.106 9.979 1.00 1.01 H new ATOM 0 HB2 MET B 105 -2.730 3.562 9.628 1.00 1.05 H new ATOM 0 HB3 MET B 105 -2.666 2.849 8.029 1.00 1.05 H new ATOM 0 HG2 MET B 105 -3.763 0.833 8.802 1.00 1.03 H new ATOM 0 HG3 MET B 105 -3.649 1.347 10.474 1.00 1.03 H new ATOM 0 HE1 MET B 105 -6.150 4.212 10.813 1.00 1.60 H new ATOM 0 HE2 MET B 105 -4.582 3.542 11.321 1.00 1.60 H new ATOM 0 HE3 MET B 105 -4.659 4.708 9.980 1.00 1.60 H new ATOM 2122 N PHE B 106 0.333 2.628 7.661 1.00 1.00 N ATOM 2123 CA PHE B 106 1.088 2.443 6.424 1.00 1.03 C ATOM 2124 C PHE B 106 2.171 1.386 6.587 1.00 0.99 C ATOM 2125 O PHE B 106 2.654 0.823 5.601 1.00 0.98 O ATOM 2126 CB PHE B 106 1.722 3.763 5.971 1.00 1.06 C ATOM 2127 CG PHE B 106 0.816 4.605 5.120 1.00 1.38 C ATOM 2128 CD1 PHE B 106 0.278 4.096 3.948 1.00 1.92 C ATOM 2129 CD2 PHE B 106 0.516 5.906 5.484 1.00 1.72 C ATOM 2130 CE1 PHE B 106 -0.552 4.870 3.160 1.00 2.44 C ATOM 2131 CE2 PHE B 106 -0.312 6.684 4.700 1.00 2.20 C ATOM 2132 CZ PHE B 106 -0.844 6.167 3.534 1.00 2.46 C ATOM 0 H PHE B 106 0.513 3.512 8.136 1.00 1.00 H new ATOM 0 HA PHE B 106 0.385 2.104 5.663 1.00 1.03 H new ATOM 0 HB2 PHE B 106 2.016 4.336 6.851 1.00 1.06 H new ATOM 0 HB3 PHE B 106 2.633 3.546 5.413 1.00 1.06 H new ATOM 0 HD1 PHE B 106 0.510 3.085 3.648 1.00 1.92 H new ATOM 0 HD2 PHE B 106 0.934 6.317 6.391 1.00 1.72 H new ATOM 0 HE1 PHE B 106 -0.972 4.461 2.253 1.00 2.44 H new ATOM 0 HE2 PHE B 106 -0.544 7.696 4.998 1.00 2.20 H new ATOM 0 HZ PHE B 106 -1.487 6.776 2.916 1.00 2.46 H new ATOM 2142 N LEU B 107 2.537 1.109 7.836 1.00 1.00 N ATOM 2143 CA LEU B 107 3.567 0.123 8.139 1.00 0.97 C ATOM 2144 C LEU B 107 3.145 -1.257 7.648 1.00 0.99 C ATOM 2145 O LEU B 107 3.948 -1.994 7.080 1.00 0.90 O ATOM 2146 CB LEU B 107 3.839 0.088 9.647 1.00 1.00 C ATOM 2147 CG LEU B 107 4.950 -0.864 10.097 1.00 0.99 C ATOM 2148 CD1 LEU B 107 5.899 -0.155 11.049 1.00 0.98 C ATOM 2149 CD2 LEU B 107 4.360 -2.100 10.763 1.00 1.10 C ATOM 0 H LEU B 107 2.132 1.557 8.658 1.00 1.00 H new ATOM 0 HA LEU B 107 4.483 0.409 7.623 1.00 0.97 H new ATOM 0 HB2 LEU B 107 4.093 1.096 9.976 1.00 1.00 H new ATOM 0 HB3 LEU B 107 2.917 -0.191 10.158 1.00 1.00 H new ATOM 0 HG LEU B 107 5.509 -1.181 9.217 1.00 0.99 H new ATOM 0 HD11 LEU B 107 6.684 -0.844 11.361 1.00 0.98 H new ATOM 0 HD12 LEU B 107 6.347 0.701 10.545 1.00 0.98 H new ATOM 0 HD13 LEU B 107 5.348 0.187 11.925 1.00 0.98 H new ATOM 0 HD21 LEU B 107 5.166 -2.764 11.076 1.00 1.10 H new ATOM 0 HD22 LEU B 107 3.777 -1.801 11.634 1.00 1.10 H new ATOM 0 HD23 LEU B 107 3.714 -2.621 10.056 1.00 1.10 H new ATOM 2161 N ASP B 108 1.869 -1.577 7.837 1.00 1.16 N ATOM 2162 CA ASP B 108 1.325 -2.872 7.425 1.00 1.22 C ATOM 2163 C ASP B 108 1.327 -3.020 5.904 1.00 1.10 C ATOM 2164 O ASP B 108 1.288 -4.133 5.376 1.00 1.08 O ATOM 2165 CB ASP B 108 -0.100 -3.040 7.968 1.00 1.48 C ATOM 2166 CG ASP B 108 -0.666 -4.427 7.722 1.00 1.75 C ATOM 2167 OD1 ASP B 108 0.051 -5.418 7.966 1.00 2.08 O ATOM 2168 OD2 ASP B 108 -1.835 -4.530 7.288 1.00 2.33 O ATOM 0 H ASP B 108 1.188 -0.957 8.274 1.00 1.16 H new ATOM 0 HA ASP B 108 1.964 -3.652 7.839 1.00 1.22 H new ATOM 0 HB2 ASP B 108 -0.102 -2.837 9.039 1.00 1.48 H new ATOM 0 HB3 ASP B 108 -0.751 -2.300 7.502 1.00 1.48 H new ATOM 2173 N GLN B 109 1.385 -1.897 5.199 1.00 1.14 N ATOM 2174 CA GLN B 109 1.394 -1.915 3.745 1.00 1.10 C ATOM 2175 C GLN B 109 2.810 -2.076 3.199 1.00 0.94 C ATOM 2176 O GLN B 109 3.093 -3.015 2.454 1.00 0.94 O ATOM 2177 CB GLN B 109 0.776 -0.630 3.181 1.00 1.23 C ATOM 2178 CG GLN B 109 1.008 -0.462 1.687 1.00 1.27 C ATOM 2179 CD GLN B 109 0.631 0.914 1.181 1.00 1.45 C ATOM 2180 OE1 GLN B 109 -0.454 1.111 0.641 1.00 1.58 O ATOM 2181 NE2 GLN B 109 1.527 1.875 1.354 1.00 1.98 N ATOM 0 H GLN B 109 1.426 -0.965 5.611 1.00 1.14 H new ATOM 0 HA GLN B 109 0.798 -2.771 3.430 1.00 1.10 H new ATOM 0 HB2 GLN B 109 -0.296 -0.633 3.378 1.00 1.23 H new ATOM 0 HB3 GLN B 109 1.195 0.228 3.706 1.00 1.23 H new ATOM 0 HG2 GLN B 109 2.058 -0.650 1.465 1.00 1.27 H new ATOM 0 HG3 GLN B 109 0.429 -1.212 1.148 1.00 1.27 H new ATOM 0 HE21 GLN B 109 2.416 1.667 1.808 1.00 1.98 H new ATOM 0 HE22 GLN B 109 1.327 2.822 1.033 1.00 1.98 H new ATOM 2190 N VAL B 110 3.700 -1.172 3.591 1.00 0.88 N ATOM 2191 CA VAL B 110 5.078 -1.196 3.107 1.00 0.78 C ATOM 2192 C VAL B 110 5.825 -2.453 3.543 1.00 0.76 C ATOM 2193 O VAL B 110 6.685 -2.948 2.812 1.00 0.76 O ATOM 2194 CB VAL B 110 5.864 0.059 3.548 1.00 0.70 C ATOM 2195 CG1 VAL B 110 5.334 1.287 2.825 1.00 0.74 C ATOM 2196 CG2 VAL B 110 5.794 0.251 5.056 1.00 0.79 C ATOM 0 H VAL B 110 3.494 -0.414 4.242 1.00 0.88 H new ATOM 0 HA VAL B 110 5.012 -1.202 2.019 1.00 0.78 H new ATOM 0 HB VAL B 110 6.911 -0.082 3.281 1.00 0.70 H new ATOM 0 HG11 VAL B 110 5.894 2.166 3.143 1.00 0.74 H new ATOM 0 HG12 VAL B 110 5.448 1.153 1.749 1.00 0.74 H new ATOM 0 HG13 VAL B 110 4.279 1.423 3.064 1.00 0.74 H new ATOM 0 HG21 VAL B 110 6.356 1.142 5.336 1.00 0.79 H new ATOM 0 HG22 VAL B 110 4.754 0.368 5.360 1.00 0.79 H new ATOM 0 HG23 VAL B 110 6.222 -0.619 5.554 1.00 0.79 H new ATOM 2206 N ALA B 111 5.490 -2.978 4.720 1.00 0.77 N ATOM 2207 CA ALA B 111 6.147 -4.178 5.227 1.00 0.77 C ATOM 2208 C ALA B 111 5.930 -5.366 4.296 1.00 0.82 C ATOM 2209 O ALA B 111 6.846 -6.155 4.070 1.00 0.80 O ATOM 2210 CB ALA B 111 5.650 -4.509 6.627 1.00 0.81 C ATOM 0 H ALA B 111 4.773 -2.594 5.335 1.00 0.77 H new ATOM 0 HA ALA B 111 7.217 -3.975 5.271 1.00 0.77 H new ATOM 0 HB1 ALA B 111 6.151 -5.407 6.988 1.00 0.81 H new ATOM 0 HB2 ALA B 111 5.868 -3.677 7.297 1.00 0.81 H new ATOM 0 HB3 ALA B 111 4.574 -4.680 6.600 1.00 0.81 H new ATOM 2216 N LYS B 112 4.728 -5.472 3.736 1.00 0.89 N ATOM 2217 CA LYS B 112 4.395 -6.573 2.834 1.00 0.96 C ATOM 2218 C LYS B 112 5.301 -6.569 1.607 1.00 0.96 C ATOM 2219 O LYS B 112 5.786 -7.619 1.180 1.00 1.00 O ATOM 2220 CB LYS B 112 2.934 -6.486 2.384 1.00 1.05 C ATOM 2221 CG LYS B 112 1.925 -6.438 3.521 1.00 1.15 C ATOM 2222 CD LYS B 112 2.085 -7.606 4.481 1.00 1.13 C ATOM 2223 CE LYS B 112 0.779 -7.920 5.200 1.00 1.18 C ATOM 2224 NZ LYS B 112 0.108 -6.694 5.717 1.00 1.69 N ATOM 0 H LYS B 112 3.968 -4.810 3.890 1.00 0.89 H new ATOM 0 HA LYS B 112 4.546 -7.502 3.384 1.00 0.96 H new ATOM 0 HB2 LYS B 112 2.810 -5.596 1.767 1.00 1.05 H new ATOM 0 HB3 LYS B 112 2.710 -7.346 1.752 1.00 1.05 H new ATOM 0 HG2 LYS B 112 2.041 -5.502 4.068 1.00 1.15 H new ATOM 0 HG3 LYS B 112 0.916 -6.444 3.109 1.00 1.15 H new ATOM 0 HD2 LYS B 112 2.420 -8.486 3.932 1.00 1.13 H new ATOM 0 HD3 LYS B 112 2.858 -7.373 5.213 1.00 1.13 H new ATOM 0 HE2 LYS B 112 0.106 -8.439 4.517 1.00 1.18 H new ATOM 0 HE3 LYS B 112 0.978 -8.600 6.029 1.00 1.18 H new ATOM 0 HZ1 LYS B 112 0.056 -6.738 6.755 1.00 1.69 H new ATOM 0 HZ2 LYS B 112 0.652 -5.854 5.433 1.00 1.69 H new ATOM 0 HZ3 LYS B 112 -0.853 -6.633 5.324 1.00 1.69 H new ATOM 2238 N PHE B 113 5.531 -5.382 1.054 1.00 0.94 N ATOM 2239 CA PHE B 113 6.380 -5.239 -0.122 1.00 0.96 C ATOM 2240 C PHE B 113 7.806 -5.668 0.202 1.00 0.90 C ATOM 2241 O PHE B 113 8.437 -6.391 -0.563 1.00 0.96 O ATOM 2242 CB PHE B 113 6.362 -3.791 -0.626 1.00 0.96 C ATOM 2243 CG PHE B 113 6.917 -3.629 -2.014 1.00 1.20 C ATOM 2244 CD1 PHE B 113 6.095 -3.752 -3.123 1.00 1.58 C ATOM 2245 CD2 PHE B 113 8.262 -3.355 -2.208 1.00 1.55 C ATOM 2246 CE1 PHE B 113 6.603 -3.602 -4.398 1.00 2.05 C ATOM 2247 CE2 PHE B 113 8.776 -3.204 -3.482 1.00 2.03 C ATOM 2248 CZ PHE B 113 7.944 -3.326 -4.578 1.00 2.21 C ATOM 0 H PHE B 113 5.141 -4.506 1.402 1.00 0.94 H new ATOM 0 HA PHE B 113 5.990 -5.883 -0.910 1.00 0.96 H new ATOM 0 HB2 PHE B 113 5.337 -3.422 -0.609 1.00 0.96 H new ATOM 0 HB3 PHE B 113 6.936 -3.169 0.061 1.00 0.96 H new ATOM 0 HD1 PHE B 113 5.045 -3.968 -2.988 1.00 1.58 H new ATOM 0 HD2 PHE B 113 8.916 -3.258 -1.354 1.00 1.55 H new ATOM 0 HE1 PHE B 113 5.952 -3.700 -5.254 1.00 2.05 H new ATOM 0 HE2 PHE B 113 9.826 -2.991 -3.620 1.00 2.03 H new ATOM 0 HZ PHE B 113 8.342 -3.206 -5.575 1.00 2.21 H new ATOM 2258 N ILE B 114 8.293 -5.230 1.355 1.00 0.80 N ATOM 2259 CA ILE B 114 9.638 -5.564 1.800 1.00 0.77 C ATOM 2260 C ILE B 114 9.777 -7.071 2.030 1.00 0.82 C ATOM 2261 O ILE B 114 10.827 -7.663 1.766 1.00 0.84 O ATOM 2262 CB ILE B 114 9.988 -4.812 3.103 1.00 0.69 C ATOM 2263 CG1 ILE B 114 9.881 -3.296 2.901 1.00 0.69 C ATOM 2264 CG2 ILE B 114 11.382 -5.184 3.572 1.00 0.68 C ATOM 2265 CD1 ILE B 114 10.004 -2.503 4.188 1.00 0.63 C ATOM 0 H ILE B 114 7.772 -4.639 2.003 1.00 0.80 H new ATOM 0 HA ILE B 114 10.330 -5.258 1.015 1.00 0.77 H new ATOM 0 HB ILE B 114 9.272 -5.107 3.870 1.00 0.69 H new ATOM 0 HG12 ILE B 114 10.660 -2.974 2.210 1.00 0.69 H new ATOM 0 HG13 ILE B 114 8.924 -3.067 2.433 1.00 0.69 H new ATOM 0 HG21 ILE B 114 11.613 -4.645 4.491 1.00 0.68 H new ATOM 0 HG22 ILE B 114 11.429 -6.257 3.759 1.00 0.68 H new ATOM 0 HG23 ILE B 114 12.108 -4.918 2.804 1.00 0.68 H new ATOM 0 HD11 ILE B 114 9.919 -1.439 3.969 1.00 0.63 H new ATOM 0 HD12 ILE B 114 9.209 -2.797 4.874 1.00 0.63 H new ATOM 0 HD13 ILE B 114 10.972 -2.703 4.647 1.00 0.63 H new ATOM 2277 N ILE B 115 8.708 -7.681 2.515 1.00 0.86 N ATOM 2278 CA ILE B 115 8.694 -9.108 2.785 1.00 0.94 C ATOM 2279 C ILE B 115 8.873 -9.921 1.504 1.00 0.95 C ATOM 2280 O ILE B 115 9.662 -10.868 1.471 1.00 1.00 O ATOM 2281 CB ILE B 115 7.387 -9.527 3.497 1.00 1.00 C ATOM 2282 CG1 ILE B 115 7.399 -9.046 4.951 1.00 1.03 C ATOM 2283 CG2 ILE B 115 7.192 -11.036 3.439 1.00 1.07 C ATOM 2284 CD1 ILE B 115 6.075 -9.225 5.666 1.00 1.10 C ATOM 0 H ILE B 115 7.832 -7.205 2.731 1.00 0.86 H new ATOM 0 HA ILE B 115 9.535 -9.318 3.445 1.00 0.94 H new ATOM 0 HB ILE B 115 6.551 -9.059 2.977 1.00 1.00 H new ATOM 0 HG12 ILE B 115 8.172 -9.587 5.497 1.00 1.03 H new ATOM 0 HG13 ILE B 115 7.673 -7.991 4.973 1.00 1.03 H new ATOM 0 HG21 ILE B 115 6.265 -11.303 3.947 1.00 1.07 H new ATOM 0 HG22 ILE B 115 7.140 -11.356 2.398 1.00 1.07 H new ATOM 0 HG23 ILE B 115 8.030 -11.530 3.930 1.00 1.07 H new ATOM 0 HD11 ILE B 115 6.162 -8.862 6.690 1.00 1.10 H new ATOM 0 HD12 ILE B 115 5.301 -8.661 5.146 1.00 1.10 H new ATOM 0 HD13 ILE B 115 5.808 -10.282 5.678 1.00 1.10 H new ATOM 2296 N ASP B 116 8.164 -9.550 0.441 1.00 0.93 N ATOM 2297 CA ASP B 116 8.276 -10.293 -0.809 1.00 0.97 C ATOM 2298 C ASP B 116 9.486 -9.849 -1.617 1.00 0.95 C ATOM 2299 O ASP B 116 9.949 -10.579 -2.493 1.00 0.96 O ATOM 2300 CB ASP B 116 7.014 -10.180 -1.661 1.00 1.05 C ATOM 2301 CG ASP B 116 6.849 -11.388 -2.568 1.00 1.19 C ATOM 2302 OD1 ASP B 116 6.394 -12.440 -2.075 1.00 1.25 O ATOM 2303 OD2 ASP B 116 7.186 -11.303 -3.771 1.00 1.38 O ATOM 0 H ASP B 116 7.521 -8.759 0.419 1.00 0.93 H new ATOM 0 HA ASP B 116 8.405 -11.339 -0.532 1.00 0.97 H new ATOM 0 HB2 ASP B 116 6.142 -10.088 -1.013 1.00 1.05 H new ATOM 0 HB3 ASP B 116 7.060 -9.273 -2.264 1.00 1.05 H new ATOM 2308 N ASN B 117 9.990 -8.656 -1.319 1.00 0.93 N ATOM 2309 CA ASN B 117 11.162 -8.113 -2.007 1.00 0.92 C ATOM 2310 C ASN B 117 12.318 -9.107 -1.962 1.00 0.91 C ATOM 2311 O ASN B 117 13.012 -9.322 -2.955 1.00 0.93 O ATOM 2312 CB ASN B 117 11.589 -6.788 -1.361 1.00 0.90 C ATOM 2313 CG ASN B 117 12.915 -6.268 -1.894 1.00 0.96 C ATOM 2314 OD1 ASN B 117 12.957 -5.524 -2.873 1.00 1.13 O ATOM 2315 ND2 ASN B 117 14.008 -6.642 -1.242 1.00 0.90 N ATOM 0 H ASN B 117 9.604 -8.042 -0.602 1.00 0.93 H new ATOM 0 HA ASN B 117 10.896 -7.933 -3.048 1.00 0.92 H new ATOM 0 HB2 ASN B 117 10.815 -6.040 -1.534 1.00 0.90 H new ATOM 0 HB3 ASN B 117 11.665 -6.924 -0.282 1.00 0.90 H new ATOM 0 HD21 ASN B 117 14.923 -6.311 -1.548 1.00 0.90 H new ATOM 0 HD22 ASN B 117 13.933 -7.260 -0.434 1.00 0.90 H new ATOM 2322 N THR B 118 12.505 -9.721 -0.806 1.00 0.91 N ATOM 2323 CA THR B 118 13.566 -10.695 -0.621 1.00 0.93 C ATOM 2324 C THR B 118 12.991 -12.114 -0.594 1.00 0.95 C ATOM 2325 O THR B 118 13.561 -13.022 0.014 1.00 0.99 O ATOM 2326 CB THR B 118 14.344 -10.411 0.677 1.00 0.89 C ATOM 2327 OG1 THR B 118 14.109 -9.058 1.098 1.00 0.98 O ATOM 2328 CG2 THR B 118 15.835 -10.615 0.463 1.00 1.04 C ATOM 0 H THR B 118 11.932 -9.561 0.022 1.00 0.91 H new ATOM 0 HA THR B 118 14.255 -10.613 -1.462 1.00 0.93 H new ATOM 0 HB THR B 118 13.997 -11.103 1.444 1.00 0.89 H new ATOM 0 HG1 THR B 118 14.605 -8.882 1.925 1.00 0.98 H new ATOM 0 HG21 THR B 118 16.367 -10.409 1.392 1.00 1.04 H new ATOM 0 HG22 THR B 118 16.021 -11.645 0.158 1.00 1.04 H new ATOM 0 HG23 THR B 118 16.187 -9.937 -0.315 1.00 1.04 H new ATOM 2336 N LYS B 119 11.860 -12.288 -1.266 1.00 1.14 N ATOM 2337 CA LYS B 119 11.190 -13.579 -1.344 1.00 1.18 C ATOM 2338 C LYS B 119 11.027 -13.985 -2.806 1.00 1.25 C ATOM 2339 O LYS B 119 11.412 -15.085 -3.208 1.00 1.18 O ATOM 2340 CB LYS B 119 9.819 -13.507 -0.657 1.00 1.16 C ATOM 2341 CG LYS B 119 9.078 -14.832 -0.588 1.00 1.26 C ATOM 2342 CD LYS B 119 8.289 -14.974 0.708 1.00 1.11 C ATOM 2343 CE LYS B 119 7.227 -13.888 0.867 1.00 1.63 C ATOM 2344 NZ LYS B 119 6.078 -14.076 -0.061 1.00 2.10 N ATOM 0 H LYS B 119 11.383 -11.541 -1.771 1.00 1.14 H new ATOM 0 HA LYS B 119 11.795 -14.327 -0.832 1.00 1.18 H new ATOM 0 HB2 LYS B 119 9.954 -13.127 0.356 1.00 1.16 H new ATOM 0 HB3 LYS B 119 9.198 -12.785 -1.188 1.00 1.16 H new ATOM 0 HG2 LYS B 119 8.399 -14.913 -1.437 1.00 1.26 H new ATOM 0 HG3 LYS B 119 9.791 -15.652 -0.671 1.00 1.26 H new ATOM 0 HD2 LYS B 119 7.810 -15.953 0.733 1.00 1.11 H new ATOM 0 HD3 LYS B 119 8.975 -14.933 1.554 1.00 1.11 H new ATOM 0 HE2 LYS B 119 6.864 -13.887 1.895 1.00 1.63 H new ATOM 0 HE3 LYS B 119 7.679 -12.913 0.688 1.00 1.63 H new ATOM 0 HZ1 LYS B 119 5.203 -13.757 0.401 1.00 2.10 H new ATOM 0 HZ2 LYS B 119 6.236 -13.520 -0.926 1.00 2.10 H new ATOM 0 HZ3 LYS B 119 5.992 -15.083 -0.308 1.00 2.10 H new ATOM 2358 N GLY B 120 10.463 -13.081 -3.598 1.00 1.50 N ATOM 2359 CA GLY B 120 10.268 -13.343 -5.006 1.00 1.61 C ATOM 2360 C GLY B 120 9.090 -14.256 -5.277 1.00 1.60 C ATOM 2361 O GLY B 120 9.239 -15.291 -5.927 1.00 1.81 O ATOM 0 H GLY B 120 10.136 -12.167 -3.285 1.00 1.50 H new ATOM 0 HA2 GLY B 120 10.117 -12.399 -5.529 1.00 1.61 H new ATOM 0 HA3 GLY B 120 11.172 -13.793 -5.415 1.00 1.61 H new ATOM 2365 N GLN B 121 7.921 -13.887 -4.782 1.00 1.41 N ATOM 2366 CA GLN B 121 6.724 -14.688 -5.003 1.00 1.44 C ATOM 2367 C GLN B 121 5.701 -13.895 -5.798 1.00 1.31 C ATOM 2368 O GLN B 121 5.025 -14.433 -6.673 1.00 1.43 O ATOM 2369 CB GLN B 121 6.129 -15.154 -3.677 1.00 1.40 C ATOM 2370 CG GLN B 121 6.358 -16.630 -3.403 1.00 1.46 C ATOM 2371 CD GLN B 121 6.133 -16.994 -1.954 1.00 1.55 C ATOM 2372 OE1 GLN B 121 5.325 -16.378 -1.261 1.00 1.64 O ATOM 2373 NE2 GLN B 121 6.849 -18.000 -1.485 1.00 2.11 N ATOM 0 H GLN B 121 7.773 -13.044 -4.228 1.00 1.41 H new ATOM 0 HA GLN B 121 7.003 -15.572 -5.576 1.00 1.44 H new ATOM 0 HB2 GLN B 121 6.563 -14.569 -2.866 1.00 1.40 H new ATOM 0 HB3 GLN B 121 5.058 -14.953 -3.677 1.00 1.40 H new ATOM 0 HG2 GLN B 121 5.690 -17.220 -4.030 1.00 1.46 H new ATOM 0 HG3 GLN B 121 7.377 -16.894 -3.686 1.00 1.46 H new ATOM 0 HE21 GLN B 121 7.508 -18.484 -2.094 1.00 2.11 H new ATOM 0 HE22 GLN B 121 6.742 -18.293 -0.514 1.00 2.11 H new ATOM 2382 N MET B 122 5.597 -12.612 -5.490 1.00 1.11 N ATOM 2383 CA MET B 122 4.676 -11.733 -6.189 1.00 1.05 C ATOM 2384 C MET B 122 5.407 -11.054 -7.341 1.00 1.07 C ATOM 2385 O MET B 122 4.825 -10.764 -8.382 1.00 1.09 O ATOM 2386 CB MET B 122 4.106 -10.682 -5.231 1.00 1.10 C ATOM 2387 CG MET B 122 3.013 -9.817 -5.844 1.00 0.99 C ATOM 2388 SD MET B 122 1.584 -10.777 -6.392 1.00 1.81 S ATOM 2389 CE MET B 122 1.145 -11.657 -4.890 1.00 1.92 C ATOM 0 H MET B 122 6.141 -12.156 -4.758 1.00 1.11 H new ATOM 0 HA MET B 122 3.847 -12.322 -6.581 1.00 1.05 H new ATOM 0 HB2 MET B 122 3.706 -11.186 -4.351 1.00 1.10 H new ATOM 0 HB3 MET B 122 4.917 -10.038 -4.889 1.00 1.10 H new ATOM 0 HG2 MET B 122 2.689 -9.077 -5.112 1.00 0.99 H new ATOM 0 HG3 MET B 122 3.423 -9.268 -6.692 1.00 0.99 H new ATOM 0 HE1 MET B 122 0.130 -12.044 -4.979 1.00 1.92 H new ATOM 0 HE2 MET B 122 1.837 -12.485 -4.738 1.00 1.92 H new ATOM 0 HE3 MET B 122 1.201 -10.977 -4.040 1.00 1.92 H new ATOM 2399 N LEU B 123 6.699 -10.823 -7.142 1.00 1.19 N ATOM 2400 CA LEU B 123 7.529 -10.184 -8.153 1.00 1.33 C ATOM 2401 C LEU B 123 8.748 -11.044 -8.472 1.00 1.36 C ATOM 2402 O LEU B 123 9.824 -10.528 -8.781 1.00 1.48 O ATOM 2403 CB LEU B 123 7.978 -8.800 -7.671 1.00 1.57 C ATOM 2404 CG LEU B 123 6.843 -7.822 -7.352 1.00 1.57 C ATOM 2405 CD1 LEU B 123 7.380 -6.603 -6.618 1.00 1.82 C ATOM 2406 CD2 LEU B 123 6.124 -7.405 -8.625 1.00 1.59 C ATOM 0 H LEU B 123 7.195 -11.070 -6.286 1.00 1.19 H new ATOM 0 HA LEU B 123 6.937 -10.071 -9.061 1.00 1.33 H new ATOM 0 HB2 LEU B 123 8.591 -8.925 -6.778 1.00 1.57 H new ATOM 0 HB3 LEU B 123 8.615 -8.356 -8.435 1.00 1.57 H new ATOM 0 HG LEU B 123 6.127 -8.326 -6.703 1.00 1.57 H new ATOM 0 HD11 LEU B 123 6.560 -5.919 -6.400 1.00 1.82 H new ATOM 0 HD12 LEU B 123 7.849 -6.917 -5.685 1.00 1.82 H new ATOM 0 HD13 LEU B 123 8.117 -6.098 -7.242 1.00 1.82 H new ATOM 0 HD21 LEU B 123 5.321 -6.710 -8.378 1.00 1.59 H new ATOM 0 HD22 LEU B 123 6.830 -6.920 -9.299 1.00 1.59 H new ATOM 0 HD23 LEU B 123 5.705 -8.286 -9.111 1.00 1.59 H new ATOM 2418 N GLY B 124 8.571 -12.357 -8.397 1.00 1.44 N ATOM 2419 CA GLY B 124 9.666 -13.268 -8.674 1.00 1.48 C ATOM 2420 C GLY B 124 9.219 -14.495 -9.438 1.00 1.77 C ATOM 2421 O GLY B 124 9.116 -14.455 -10.663 1.00 2.49 O ATOM 0 H GLY B 124 7.690 -12.807 -8.150 1.00 1.44 H new ATOM 0 HA2 GLY B 124 10.432 -12.746 -9.247 1.00 1.48 H new ATOM 0 HA3 GLY B 124 10.125 -13.576 -7.734 1.00 1.48 H new ATOM 2425 N LEU B 125 8.954 -15.581 -8.703 1.00 1.39 N ATOM 2426 CA LEU B 125 8.503 -16.852 -9.280 1.00 1.59 C ATOM 2427 C LEU B 125 9.596 -17.520 -10.115 1.00 1.56 C ATOM 2428 O LEU B 125 10.268 -18.442 -9.645 1.00 1.53 O ATOM 2429 CB LEU B 125 7.229 -16.667 -10.117 1.00 1.94 C ATOM 2430 CG LEU B 125 5.964 -16.339 -9.318 1.00 1.48 C ATOM 2431 CD1 LEU B 125 4.823 -15.971 -10.252 1.00 1.69 C ATOM 2432 CD2 LEU B 125 5.572 -17.513 -8.434 1.00 1.63 C ATOM 0 H LEU B 125 9.047 -15.603 -7.687 1.00 1.39 H new ATOM 0 HA LEU B 125 8.272 -17.511 -8.443 1.00 1.59 H new ATOM 0 HB2 LEU B 125 7.401 -15.868 -10.839 1.00 1.94 H new ATOM 0 HB3 LEU B 125 7.053 -17.579 -10.687 1.00 1.94 H new ATOM 0 HG LEU B 125 6.174 -15.482 -8.678 1.00 1.48 H new ATOM 0 HD11 LEU B 125 3.933 -15.741 -9.666 1.00 1.69 H new ATOM 0 HD12 LEU B 125 5.103 -15.099 -10.843 1.00 1.69 H new ATOM 0 HD13 LEU B 125 4.613 -16.808 -10.918 1.00 1.69 H new ATOM 0 HD21 LEU B 125 4.671 -17.262 -7.874 1.00 1.63 H new ATOM 0 HD22 LEU B 125 5.381 -18.388 -9.055 1.00 1.63 H new ATOM 0 HD23 LEU B 125 6.383 -17.731 -7.739 1.00 1.63 H new ATOM 2444 N GLY B 126 9.765 -17.057 -11.347 1.00 2.19 N ATOM 2445 CA GLY B 126 10.764 -17.633 -12.228 1.00 2.27 C ATOM 2446 C GLY B 126 10.357 -19.008 -12.713 1.00 2.45 C ATOM 2447 O GLY B 126 11.189 -19.909 -12.832 1.00 2.74 O ATOM 0 H GLY B 126 9.227 -16.291 -11.753 1.00 2.19 H new ATOM 0 HA2 GLY B 126 10.917 -16.976 -13.084 1.00 2.27 H new ATOM 0 HA3 GLY B 126 11.717 -17.700 -11.703 1.00 2.27 H new ATOM 2451 N ASN B 127 9.071 -19.173 -12.983 1.00 2.74 N ATOM 2452 CA ASN B 127 8.540 -20.451 -13.444 1.00 3.06 C ATOM 2453 C ASN B 127 8.371 -20.442 -14.964 1.00 4.10 C ATOM 2454 O ASN B 127 8.092 -19.398 -15.552 1.00 4.81 O ATOM 2455 CB ASN B 127 7.199 -20.747 -12.758 1.00 3.42 C ATOM 2456 CG ASN B 127 6.094 -19.806 -13.195 1.00 4.44 C ATOM 2457 OD1 ASN B 127 6.056 -18.643 -12.789 1.00 4.51 O ATOM 2458 ND2 ASN B 127 5.179 -20.306 -14.008 1.00 5.34 N ATOM 0 H ASN B 127 8.372 -18.436 -12.891 1.00 2.74 H new ATOM 0 HA ASN B 127 9.247 -21.237 -13.181 1.00 3.06 H new ATOM 0 HB2 ASN B 127 6.903 -21.773 -12.976 1.00 3.42 H new ATOM 0 HB3 ASN B 127 7.325 -20.675 -11.678 1.00 3.42 H new ATOM 0 HD21 ASN B 127 4.404 -19.723 -14.323 1.00 5.34 H new ATOM 0 HD22 ASN B 127 5.249 -21.275 -14.320 1.00 5.34 H new ATOM 2465 N PRO B 128 8.575 -21.597 -15.624 1.00 4.39 N ATOM 2466 CA PRO B 128 8.431 -21.717 -17.079 1.00 5.57 C ATOM 2467 C PRO B 128 6.975 -21.568 -17.521 1.00 6.29 C ATOM 2468 O PRO B 128 6.102 -22.234 -16.926 1.00 6.27 O ATOM 2469 CB PRO B 128 8.942 -23.137 -17.390 1.00 5.65 C ATOM 2470 CG PRO B 128 9.628 -23.600 -16.148 1.00 4.63 C ATOM 2471 CD PRO B 128 8.963 -22.877 -15.014 1.00 3.74 C ATOM 2472 OXT PRO B 128 6.706 -20.793 -18.463 1.00 7.06 O ATOM 0 HA PRO B 128 8.980 -20.937 -17.606 1.00 5.57 H new ATOM 0 HB2 PRO B 128 8.118 -23.801 -17.653 1.00 5.65 H new ATOM 0 HB3 PRO B 128 9.628 -23.130 -18.237 1.00 5.65 H new ATOM 0 HG2 PRO B 128 9.535 -24.680 -16.030 1.00 4.63 H new ATOM 0 HG3 PRO B 128 10.694 -23.374 -16.183 1.00 4.63 H new ATOM 0 HD2 PRO B 128 8.098 -23.424 -14.638 1.00 3.74 H new ATOM 0 HD3 PRO B 128 9.641 -22.735 -14.173 1.00 3.74 H new TER 2480 PRO B 128