USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1510 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 89 THR OG1 : rot -82:sc= 0.0105 USER MOD Set 1.2: B 90 HIS : no HD1:sc=-0.00481 X(o=0.0057,f=-0.019) USER MOD Set 2.1: B 19 SER OG : rot 85:sc= 1.21 USER MOD Set 2.2: B 24 HIS : no HE2:sc= -1.14 K(o=1.4,f=-0.51!) USER MOD Set 2.3: B 27 THR OG1 : rot -105:sc= 1.29 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 17 GLN : amide:sc= -0.0185 X(o=-0.019,f=-0.017) USER MOD Set 4.1: A 17 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.032) USER MOD Set 4.2: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 89 THR OG1 : rot -83:sc= 0.0101 USER MOD Set 5.2: A 90 HIS : no HD1:sc=-0.00455 X(o=0.0056,f=-0.025) USER MOD Set 6.1: A 19 SER OG : rot 85:sc= 1.21 USER MOD Set 6.2: A 24 HIS : no HE2:sc= -1.11 K(o=1.4,f=-0.63!) USER MOD Set 6.3: A 27 THR OG1 : rot -96:sc= 1.26 USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.26 (180deg=0.903) USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.00864 USER MOD Single : A 3 LYS NZ :NH3+ -155:sc= -1.25 (180deg=-2.15!) USER MOD Single : A 7 HIS : no HD1:sc= 0.618 K(o=0.62,f=-4.6!) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 16 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-2.8!) USER MOD Single : A 18 TYR OH : rot -103:sc= 2.06 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.0244 (180deg=-0.202) USER MOD Single : A 29 SER OG : rot 180:sc= 0.023 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 1.11 (180deg=1.04) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -90:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.1) USER MOD Single : A 44 THR OG1 : rot -140:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.03 (180deg=0.873) USER MOD Single : A 47 ASN : amide:sc= 0.0896 K(o=0.09,f=-0.85) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.546 (180deg=-1.12) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.152 (180deg=-0.558) USER MOD Single : A 59 GLN : amide:sc= -0.895 K(o=-0.9,f=-0.12) USER MOD Single : A 64 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-7.2!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 1.05 K(o=1,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0164 (180deg=-0.178) USER MOD Single : B 1 MET N :NH3+ 168:sc= 1.25 (180deg=0.841) USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : B 3 LYS NZ :NH3+ -158:sc= -1.22 (180deg=-2.09!) USER MOD Single : B 7 HIS : no HD1:sc= 0.504 K(o=0.5,f=-4.9!) USER MOD Single : B 13 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 16 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-2.8!) USER MOD Single : B 18 TYR OH : rot -103:sc= 2.06 USER MOD Single : B 22 LYS NZ :NH3+ 168:sc= -0.0143 (180deg=-0.177) USER MOD Single : B 29 SER OG : rot 180:sc= 0.0122 USER MOD Single : B 30 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.05) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot -92:sc= 1.2 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.2) USER MOD Single : B 44 THR OG1 : rot -140:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -171:sc= 0.965 (180deg=0.82) USER MOD Single : B 47 ASN : amide:sc= 0.162 K(o=0.16,f=-0.86) USER MOD Single : B 49 LYS NZ :NH3+ 161:sc= -0.556 (180deg=-1.07) USER MOD Single : B 51 LYS NZ :NH3+ -164:sc= -0.0599 (180deg=-0.459) USER MOD Single : B 59 GLN : amide:sc= -0.87 K(o=-0.87,f=-0.12) USER MOD Single : B 64 ASN : amide:sc=-0.00923 K(o=-0.0092,f=-1.1) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot 66:sc= 0.0583 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HE2:sc= -5.41! C(o=-5.4!,f=-6.9!) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 1 K(o=1,f=-4.1!) USER MOD Single : B 91 LYS NZ :NH3+ -171:sc= -0.0279 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.467 -2.482 14.190 1.00 4.69 N ATOM 2 CA MET A 1 -7.630 -2.307 12.727 1.00 4.21 C ATOM 3 C MET A 1 -6.885 -1.068 12.246 1.00 3.60 C ATOM 4 O MET A 1 -6.016 -1.156 11.381 1.00 4.04 O ATOM 5 CB MET A 1 -9.113 -2.198 12.349 1.00 4.50 C ATOM 6 CG MET A 1 -9.894 -3.496 12.504 1.00 5.00 C ATOM 7 SD MET A 1 -10.009 -4.051 14.216 1.00 5.79 S ATOM 8 CE MET A 1 -10.971 -5.549 14.019 1.00 6.42 C ATOM 0 H1 MET A 1 -8.171 -3.164 14.539 1.00 4.69 H new ATOM 0 H2 MET A 1 -6.511 -2.837 14.393 1.00 4.69 H new ATOM 0 H3 MET A 1 -7.605 -1.568 14.666 1.00 4.69 H new ATOM 0 HA MET A 1 -7.208 -3.186 12.240 1.00 4.21 H new ATOM 0 HB2 MET A 1 -9.579 -1.431 12.968 1.00 4.50 H new ATOM 0 HB3 MET A 1 -9.189 -1.863 11.315 1.00 4.50 H new ATOM 0 HG2 MET A 1 -10.899 -3.359 12.104 1.00 5.00 H new ATOM 0 HG3 MET A 1 -9.417 -4.274 11.907 1.00 5.00 H new ATOM 0 HE1 MET A 1 -11.128 -6.011 14.993 1.00 6.42 H new ATOM 0 HE2 MET A 1 -11.935 -5.306 13.573 1.00 6.42 H new ATOM 0 HE3 MET A 1 -10.436 -6.242 13.370 1.00 6.42 H new ATOM 20 N THR A 2 -7.225 0.085 12.802 1.00 3.06 N ATOM 21 CA THR A 2 -6.561 1.325 12.439 1.00 2.90 C ATOM 22 C THR A 2 -6.525 2.267 13.636 1.00 2.45 C ATOM 23 O THR A 2 -7.231 2.062 14.626 1.00 3.04 O ATOM 24 CB THR A 2 -7.264 2.020 11.248 1.00 3.67 C ATOM 25 OG1 THR A 2 -6.439 3.076 10.729 1.00 4.25 O ATOM 26 CG2 THR A 2 -8.608 2.593 11.666 1.00 4.23 C ATOM 0 H THR A 2 -7.956 0.187 13.506 1.00 3.06 H new ATOM 0 HA THR A 2 -5.544 1.080 12.134 1.00 2.90 H new ATOM 0 HB THR A 2 -7.427 1.270 10.474 1.00 3.67 H new ATOM 0 HG1 THR A 2 -6.894 3.506 9.975 1.00 4.25 H new ATOM 0 HG21 THR A 2 -9.080 3.075 10.810 1.00 4.23 H new ATOM 0 HG22 THR A 2 -9.249 1.790 12.029 1.00 4.23 H new ATOM 0 HG23 THR A 2 -8.460 3.326 12.459 1.00 4.23 H new ATOM 34 N LYS A 3 -5.695 3.292 13.542 1.00 2.16 N ATOM 35 CA LYS A 3 -5.523 4.240 14.630 1.00 2.53 C ATOM 36 C LYS A 3 -5.866 5.645 14.156 1.00 2.08 C ATOM 37 O LYS A 3 -6.717 6.319 14.735 1.00 2.81 O ATOM 38 CB LYS A 3 -4.083 4.193 15.153 1.00 3.53 C ATOM 39 CG LYS A 3 -3.645 2.809 15.614 1.00 4.29 C ATOM 40 CD LYS A 3 -2.220 2.809 16.155 1.00 5.38 C ATOM 41 CE LYS A 3 -2.154 3.192 17.631 1.00 5.97 C ATOM 42 NZ LYS A 3 -2.650 4.569 17.896 1.00 6.05 N ATOM 0 H LYS A 3 -5.127 3.490 12.718 1.00 2.16 H new ATOM 0 HA LYS A 3 -6.197 3.968 15.443 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -3.409 4.535 14.368 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -3.984 4.891 15.984 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -4.326 2.453 16.387 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -3.716 2.110 14.780 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -1.784 1.819 16.020 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -1.615 3.506 15.575 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -2.742 2.482 18.212 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -1.123 3.110 17.976 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -2.216 4.933 18.768 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -2.398 5.188 17.099 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -3.684 4.550 18.006 1.00 6.05 H new ATOM 56 N LEU A 4 -5.202 6.072 13.089 1.00 1.61 N ATOM 57 CA LEU A 4 -5.442 7.381 12.501 1.00 1.98 C ATOM 58 C LEU A 4 -4.818 7.441 11.112 1.00 1.51 C ATOM 59 O LEU A 4 -5.514 7.579 10.109 1.00 2.03 O ATOM 60 CB LEU A 4 -4.862 8.485 13.392 1.00 3.02 C ATOM 61 CG LEU A 4 -5.223 9.914 12.986 1.00 3.80 C ATOM 62 CD1 LEU A 4 -6.714 10.158 13.161 1.00 4.50 C ATOM 63 CD2 LEU A 4 -4.419 10.911 13.801 1.00 4.44 C ATOM 0 H LEU A 4 -4.487 5.524 12.611 1.00 1.61 H new ATOM 0 HA LEU A 4 -6.517 7.539 12.417 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -5.202 8.319 14.414 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -3.776 8.391 13.398 1.00 3.02 H new ATOM 0 HG LEU A 4 -4.977 10.049 11.933 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -6.952 11.180 12.867 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -7.273 9.461 12.536 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -6.987 10.008 14.205 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -4.686 11.925 13.502 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -4.638 10.776 14.860 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -3.355 10.749 13.627 1.00 4.44 H new ATOM 75 N GLU A 5 -3.496 7.322 11.066 1.00 1.20 N ATOM 76 CA GLU A 5 -2.765 7.333 9.804 1.00 0.93 C ATOM 77 C GLU A 5 -1.530 6.433 9.882 1.00 0.69 C ATOM 78 O GLU A 5 -0.768 6.329 8.925 1.00 0.68 O ATOM 79 CB GLU A 5 -2.358 8.768 9.459 1.00 1.39 C ATOM 80 CG GLU A 5 -1.579 9.455 10.568 1.00 1.80 C ATOM 81 CD GLU A 5 -1.296 10.910 10.270 1.00 2.48 C ATOM 82 OE1 GLU A 5 -0.292 11.201 9.591 1.00 3.00 O ATOM 83 OE2 GLU A 5 -2.069 11.778 10.729 1.00 3.10 O ATOM 0 H GLU A 5 -2.906 7.216 11.892 1.00 1.20 H new ATOM 0 HA GLU A 5 -3.414 6.945 9.019 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -1.754 8.759 8.552 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -3.253 9.349 9.239 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -2.141 9.382 11.499 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -0.636 8.930 10.722 1.00 1.80 H new ATOM 90 N GLU A 6 -1.374 5.760 11.021 1.00 0.68 N ATOM 91 CA GLU A 6 -0.185 4.955 11.328 1.00 0.67 C ATOM 92 C GLU A 6 0.145 3.951 10.216 1.00 0.54 C ATOM 93 O GLU A 6 1.309 3.695 9.926 1.00 0.60 O ATOM 94 CB GLU A 6 -0.409 4.208 12.648 1.00 0.78 C ATOM 95 CG GLU A 6 0.811 4.156 13.560 1.00 1.07 C ATOM 96 CD GLU A 6 1.936 3.305 13.011 1.00 1.79 C ATOM 97 OE1 GLU A 6 1.794 2.065 12.997 1.00 2.48 O ATOM 98 OE2 GLU A 6 2.978 3.865 12.613 1.00 2.51 O ATOM 0 H GLU A 6 -2.072 5.756 11.764 1.00 0.68 H new ATOM 0 HA GLU A 6 0.663 5.634 11.412 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.229 4.684 13.186 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -0.724 3.189 12.425 1.00 0.78 H new ATOM 0 HG2 GLU A 6 1.178 5.170 13.722 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.512 3.766 14.533 1.00 1.07 H new ATOM 105 N HIS A 7 -0.875 3.390 9.585 1.00 0.42 N ATOM 106 CA HIS A 7 -0.656 2.379 8.559 1.00 0.38 C ATOM 107 C HIS A 7 -0.046 2.999 7.308 1.00 0.35 C ATOM 108 O HIS A 7 1.072 2.667 6.929 1.00 0.39 O ATOM 109 CB HIS A 7 -1.960 1.644 8.221 1.00 0.43 C ATOM 110 CG HIS A 7 -2.343 0.613 9.239 1.00 0.95 C ATOM 111 ND1 HIS A 7 -3.174 -0.449 8.962 1.00 1.73 N ATOM 112 CD2 HIS A 7 -1.993 0.481 10.540 1.00 1.60 C ATOM 113 CE1 HIS A 7 -3.316 -1.186 10.047 1.00 2.16 C ATOM 114 NE2 HIS A 7 -2.608 -0.645 11.019 1.00 2.03 N ATOM 0 H HIS A 7 -1.854 3.614 9.762 1.00 0.42 H new ATOM 0 HA HIS A 7 0.049 1.648 8.955 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.766 2.372 8.131 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.856 1.163 7.249 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -1.347 1.143 11.098 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -3.913 -2.083 10.126 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -2.531 -1.005 11.970 1.00 2.03 H new ATOM 123 N LEU A 8 -0.777 3.915 6.693 1.00 0.34 N ATOM 124 CA LEU A 8 -0.332 4.572 5.469 1.00 0.32 C ATOM 125 C LEU A 8 0.886 5.454 5.717 1.00 0.33 C ATOM 126 O LEU A 8 1.948 5.253 5.127 1.00 0.33 O ATOM 127 CB LEU A 8 -1.473 5.413 4.930 1.00 0.33 C ATOM 128 CG LEU A 8 -2.776 4.639 4.750 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.918 5.580 4.448 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.631 3.598 3.651 1.00 0.33 C ATOM 0 H LEU A 8 -1.691 4.224 7.024 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.043 3.809 4.746 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.648 6.249 5.608 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.178 5.837 3.970 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.000 4.122 5.683 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.837 5.008 4.323 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.037 6.284 5.272 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.705 6.128 3.531 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.570 3.056 3.537 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.381 4.092 2.712 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.838 2.898 3.915 1.00 0.33 H new ATOM 142 N GLU A 9 0.728 6.410 6.619 1.00 0.37 N ATOM 143 CA GLU A 9 1.764 7.391 6.888 1.00 0.40 C ATOM 144 C GLU A 9 2.979 6.712 7.512 1.00 0.40 C ATOM 145 O GLU A 9 4.104 7.179 7.362 1.00 0.42 O ATOM 146 CB GLU A 9 1.199 8.488 7.800 1.00 0.47 C ATOM 147 CG GLU A 9 2.063 9.737 7.918 1.00 1.24 C ATOM 148 CD GLU A 9 3.127 9.630 8.993 1.00 1.72 C ATOM 149 OE1 GLU A 9 2.902 8.918 9.991 1.00 2.17 O ATOM 150 OE2 GLU A 9 4.197 10.263 8.847 1.00 2.41 O ATOM 0 H GLU A 9 -0.116 6.526 7.181 1.00 0.37 H new ATOM 0 HA GLU A 9 2.089 7.853 5.956 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.216 8.778 7.428 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.052 8.071 8.796 1.00 0.47 H new ATOM 0 HG2 GLU A 9 2.543 9.930 6.959 1.00 1.24 H new ATOM 0 HG3 GLU A 9 1.424 10.594 8.133 1.00 1.24 H new ATOM 157 N GLY A 10 2.744 5.589 8.181 1.00 0.40 N ATOM 158 CA GLY A 10 3.824 4.835 8.785 1.00 0.43 C ATOM 159 C GLY A 10 4.652 4.079 7.762 1.00 0.39 C ATOM 160 O GLY A 10 5.862 3.928 7.925 1.00 0.44 O ATOM 0 H GLY A 10 1.817 5.186 8.316 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.471 5.515 9.340 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.411 4.129 9.506 1.00 0.43 H new ATOM 164 N ILE A 11 4.006 3.594 6.707 1.00 0.34 N ATOM 165 CA ILE A 11 4.726 2.933 5.622 1.00 0.33 C ATOM 166 C ILE A 11 5.534 3.970 4.846 1.00 0.33 C ATOM 167 O ILE A 11 6.660 3.725 4.413 1.00 0.38 O ATOM 168 CB ILE A 11 3.768 2.180 4.671 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.084 1.030 5.412 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.520 1.655 3.458 1.00 0.50 C ATOM 171 CD1 ILE A 11 2.046 0.302 4.586 1.00 1.16 C ATOM 0 H ILE A 11 2.995 3.645 6.579 1.00 0.34 H new ATOM 0 HA ILE A 11 5.396 2.193 6.059 1.00 0.33 H new ATOM 0 HB ILE A 11 3.005 2.878 4.326 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.842 0.317 5.736 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.609 1.421 6.312 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.828 1.128 2.801 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.968 2.489 2.919 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.303 0.971 3.784 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.605 -0.499 5.179 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.266 1.001 4.284 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.518 -0.121 3.699 1.00 1.16 H new ATOM 183 N VAL A 12 4.952 5.144 4.701 1.00 0.33 N ATOM 184 CA VAL A 12 5.637 6.271 4.091 1.00 0.38 C ATOM 185 C VAL A 12 6.752 6.774 5.016 1.00 0.40 C ATOM 186 O VAL A 12 7.765 7.313 4.567 1.00 0.45 O ATOM 187 CB VAL A 12 4.625 7.392 3.776 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.315 8.667 3.327 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.655 6.913 2.711 1.00 0.48 C ATOM 0 H VAL A 12 3.998 5.345 5.000 1.00 0.33 H new ATOM 0 HA VAL A 12 6.095 5.952 3.155 1.00 0.38 H new ATOM 0 HB VAL A 12 4.081 7.625 4.691 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.567 9.431 3.115 1.00 0.57 H new ATOM 0 HG12 VAL A 12 5.979 9.019 4.117 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.896 8.469 2.426 1.00 0.57 H new ATOM 0 HG21 VAL A 12 2.940 7.705 2.488 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.206 6.656 1.806 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.122 6.034 3.073 1.00 0.48 H new ATOM 199 N ASN A 13 6.567 6.542 6.310 1.00 0.42 N ATOM 200 CA ASN A 13 7.529 6.953 7.325 1.00 0.48 C ATOM 201 C ASN A 13 8.799 6.112 7.242 1.00 0.48 C ATOM 202 O ASN A 13 9.904 6.637 7.352 1.00 0.58 O ATOM 203 CB ASN A 13 6.909 6.834 8.720 1.00 0.61 C ATOM 204 CG ASN A 13 7.818 7.344 9.821 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.615 8.258 9.616 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.698 6.761 11.004 1.00 1.42 N ATOM 0 H ASN A 13 5.747 6.064 6.685 1.00 0.42 H new ATOM 0 HA ASN A 13 7.795 7.994 7.142 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.972 7.391 8.743 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.664 5.790 8.914 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.279 7.067 11.785 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.025 6.006 11.134 1.00 1.42 H new ATOM 213 N ILE A 14 8.647 4.807 7.039 1.00 0.47 N ATOM 214 CA ILE A 14 9.810 3.934 6.921 1.00 0.57 C ATOM 215 C ILE A 14 10.557 4.203 5.613 1.00 0.53 C ATOM 216 O ILE A 14 11.783 4.074 5.552 1.00 0.60 O ATOM 217 CB ILE A 14 9.455 2.433 7.047 1.00 0.68 C ATOM 218 CG1 ILE A 14 8.361 2.034 6.054 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.021 2.117 8.472 1.00 1.14 C ATOM 220 CD1 ILE A 14 8.012 0.561 6.087 1.00 2.06 C ATOM 0 H ILE A 14 7.746 4.337 6.954 1.00 0.47 H new ATOM 0 HA ILE A 14 10.463 4.171 7.761 1.00 0.57 H new ATOM 0 HB ILE A 14 10.346 1.853 6.809 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.463 2.615 6.264 1.00 1.33 H new ATOM 0 HG13 ILE A 14 8.683 2.299 5.047 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.773 1.058 8.551 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.833 2.352 9.160 1.00 1.14 H new ATOM 0 HG23 ILE A 14 8.146 2.714 8.727 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.230 0.356 5.356 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.897 -0.028 5.846 1.00 2.06 H new ATOM 0 HD13 ILE A 14 7.658 0.293 7.082 1.00 2.06 H new ATOM 232 N PHE A 15 9.822 4.601 4.573 1.00 0.48 N ATOM 233 CA PHE A 15 10.453 5.085 3.347 1.00 0.58 C ATOM 234 C PHE A 15 11.318 6.292 3.676 1.00 0.60 C ATOM 235 O PHE A 15 12.485 6.374 3.286 1.00 0.70 O ATOM 236 CB PHE A 15 9.402 5.475 2.298 1.00 0.68 C ATOM 237 CG PHE A 15 9.990 6.057 1.036 1.00 1.18 C ATOM 238 CD1 PHE A 15 10.305 7.405 0.953 1.00 1.93 C ATOM 239 CD2 PHE A 15 10.236 5.254 -0.063 1.00 1.74 C ATOM 240 CE1 PHE A 15 10.854 7.934 -0.199 1.00 2.54 C ATOM 241 CE2 PHE A 15 10.781 5.780 -1.220 1.00 2.35 C ATOM 242 CZ PHE A 15 11.092 7.121 -1.286 1.00 2.57 C ATOM 0 H PHE A 15 8.802 4.598 4.555 1.00 0.48 H new ATOM 0 HA PHE A 15 11.065 4.284 2.931 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.814 4.594 2.041 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.716 6.200 2.736 1.00 0.68 H new ATOM 0 HD1 PHE A 15 10.119 8.049 1.800 1.00 1.93 H new ATOM 0 HD2 PHE A 15 9.999 4.201 -0.017 1.00 1.74 H new ATOM 0 HE1 PHE A 15 11.097 8.985 -0.248 1.00 2.54 H new ATOM 0 HE2 PHE A 15 10.963 5.140 -2.071 1.00 2.35 H new ATOM 0 HZ PHE A 15 11.521 7.534 -2.187 1.00 2.57 H new ATOM 252 N HIS A 16 10.725 7.217 4.417 1.00 0.59 N ATOM 253 CA HIS A 16 11.396 8.440 4.838 1.00 0.71 C ATOM 254 C HIS A 16 12.592 8.119 5.736 1.00 0.75 C ATOM 255 O HIS A 16 13.532 8.907 5.839 1.00 0.88 O ATOM 256 CB HIS A 16 10.389 9.333 5.569 1.00 0.77 C ATOM 257 CG HIS A 16 10.889 10.704 5.898 1.00 1.15 C ATOM 258 ND1 HIS A 16 10.856 11.752 5.005 1.00 1.82 N ATOM 259 CD2 HIS A 16 11.404 11.206 7.044 1.00 1.84 C ATOM 260 CE1 HIS A 16 11.329 12.837 5.586 1.00 2.22 C ATOM 261 NE2 HIS A 16 11.667 12.534 6.823 1.00 2.23 N ATOM 0 H HIS A 16 9.762 7.141 4.745 1.00 0.59 H new ATOM 0 HA HIS A 16 11.776 8.966 3.962 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.494 9.426 4.954 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.091 8.839 6.494 1.00 0.77 H new ATOM 0 HD2 HIS A 16 11.576 10.663 7.961 1.00 1.84 H new ATOM 0 HE1 HIS A 16 11.423 13.810 5.126 1.00 2.22 H new ATOM 0 HE2 HIS A 16 12.060 13.182 7.506 1.00 2.23 H new ATOM 270 N GLN A 17 12.552 6.950 6.367 1.00 0.69 N ATOM 271 CA GLN A 17 13.625 6.506 7.244 1.00 0.81 C ATOM 272 C GLN A 17 14.905 6.242 6.454 1.00 0.93 C ATOM 273 O GLN A 17 15.941 6.848 6.729 1.00 1.18 O ATOM 274 CB GLN A 17 13.209 5.244 8.005 1.00 0.85 C ATOM 275 CG GLN A 17 14.278 4.712 8.948 1.00 1.27 C ATOM 276 CD GLN A 17 14.589 5.670 10.081 1.00 1.99 C ATOM 277 OE1 GLN A 17 15.458 6.533 9.962 1.00 2.60 O ATOM 278 NE2 GLN A 17 13.891 5.512 11.193 1.00 2.77 N ATOM 0 H GLN A 17 11.780 6.289 6.285 1.00 0.69 H new ATOM 0 HA GLN A 17 13.822 7.303 7.961 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.307 5.458 8.578 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.953 4.466 7.286 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.949 3.760 9.363 1.00 1.27 H new ATOM 0 HG3 GLN A 17 15.189 4.516 8.383 1.00 1.27 H new ATOM 0 HE21 GLN A 17 13.179 4.784 11.249 1.00 2.77 H new ATOM 0 HE22 GLN A 17 14.064 6.119 11.994 1.00 2.77 H new ATOM 287 N TYR A 18 14.844 5.349 5.463 1.00 0.85 N ATOM 288 CA TYR A 18 16.044 5.027 4.690 1.00 1.07 C ATOM 289 C TYR A 18 16.371 6.130 3.677 1.00 1.34 C ATOM 290 O TYR A 18 17.373 6.056 2.964 1.00 1.76 O ATOM 291 CB TYR A 18 15.927 3.656 4.001 1.00 1.22 C ATOM 292 CG TYR A 18 15.013 3.596 2.791 1.00 2.34 C ATOM 293 CD1 TYR A 18 15.489 3.897 1.522 1.00 3.25 C ATOM 294 CD2 TYR A 18 13.691 3.198 2.912 1.00 3.14 C ATOM 295 CE1 TYR A 18 14.674 3.805 0.412 1.00 4.48 C ATOM 296 CE2 TYR A 18 12.869 3.110 1.802 1.00 4.38 C ATOM 297 CZ TYR A 18 13.368 3.413 0.558 1.00 4.92 C ATOM 298 OH TYR A 18 12.561 3.313 -0.550 1.00 6.25 O ATOM 0 H TYR A 18 14.001 4.848 5.183 1.00 0.85 H new ATOM 0 HA TYR A 18 16.873 4.968 5.395 1.00 1.07 H new ATOM 0 HB2 TYR A 18 16.924 3.339 3.695 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.574 2.932 4.735 1.00 1.22 H new ATOM 0 HD1 TYR A 18 16.516 4.209 1.401 1.00 3.25 H new ATOM 0 HD2 TYR A 18 13.296 2.953 3.887 1.00 3.14 H new ATOM 0 HE1 TYR A 18 15.063 4.041 -0.567 1.00 4.48 H new ATOM 0 HE2 TYR A 18 11.839 2.804 1.913 1.00 4.38 H new ATOM 0 HH TYR A 18 11.960 4.086 -0.588 1.00 6.25 H new ATOM 308 N SER A 19 15.542 7.163 3.635 1.00 1.32 N ATOM 309 CA SER A 19 15.787 8.306 2.765 1.00 1.77 C ATOM 310 C SER A 19 16.702 9.320 3.450 1.00 1.85 C ATOM 311 O SER A 19 16.386 10.513 3.523 1.00 2.32 O ATOM 312 CB SER A 19 14.467 8.965 2.367 1.00 2.37 C ATOM 313 OG SER A 19 13.673 8.084 1.590 1.00 3.01 O ATOM 0 H SER A 19 14.692 7.234 4.194 1.00 1.32 H new ATOM 0 HA SER A 19 16.285 7.949 1.863 1.00 1.77 H new ATOM 0 HB2 SER A 19 13.919 9.260 3.262 1.00 2.37 H new ATOM 0 HB3 SER A 19 14.667 9.875 1.801 1.00 2.37 H new ATOM 0 HG SER A 19 13.150 7.505 2.183 1.00 3.01 H new ATOM 319 N VAL A 20 17.840 8.825 3.939 1.00 2.11 N ATOM 320 CA VAL A 20 18.834 9.635 4.644 1.00 2.50 C ATOM 321 C VAL A 20 18.313 10.089 6.005 1.00 2.64 C ATOM 322 O VAL A 20 18.751 9.578 7.041 1.00 3.25 O ATOM 323 CB VAL A 20 19.291 10.863 3.819 1.00 3.30 C ATOM 324 CG1 VAL A 20 20.337 11.667 4.579 1.00 3.90 C ATOM 325 CG2 VAL A 20 19.838 10.424 2.468 1.00 4.13 C ATOM 0 H VAL A 20 18.100 7.842 3.856 1.00 2.11 H new ATOM 0 HA VAL A 20 19.702 8.992 4.791 1.00 2.50 H new ATOM 0 HB VAL A 20 18.424 11.502 3.652 1.00 3.30 H new ATOM 0 HG11 VAL A 20 20.643 12.525 3.980 1.00 3.90 H new ATOM 0 HG12 VAL A 20 19.914 12.015 5.521 1.00 3.90 H new ATOM 0 HG13 VAL A 20 21.204 11.038 4.781 1.00 3.90 H new ATOM 0 HG21 VAL A 20 20.154 11.300 1.902 1.00 4.13 H new ATOM 0 HG22 VAL A 20 20.691 9.762 2.618 1.00 4.13 H new ATOM 0 HG23 VAL A 20 19.061 9.896 1.915 1.00 4.13 H new ATOM 335 N ARG A 21 17.378 11.032 6.002 1.00 2.80 N ATOM 336 CA ARG A 21 16.808 11.548 7.238 1.00 3.55 C ATOM 337 C ARG A 21 15.536 12.335 6.939 1.00 3.96 C ATOM 338 O ARG A 21 14.489 12.075 7.527 1.00 4.55 O ATOM 339 CB ARG A 21 17.821 12.439 7.969 1.00 4.19 C ATOM 340 CG ARG A 21 17.708 12.395 9.490 1.00 4.83 C ATOM 341 CD ARG A 21 16.387 12.961 9.994 1.00 5.36 C ATOM 342 NE ARG A 21 16.278 12.871 11.451 1.00 5.87 N ATOM 343 CZ ARG A 21 15.262 13.359 12.163 1.00 6.57 C ATOM 344 NH1 ARG A 21 14.240 13.957 11.559 1.00 6.84 N ATOM 345 NH2 ARG A 21 15.264 13.240 13.484 1.00 7.28 N ATOM 0 H ARG A 21 16.999 11.455 5.155 1.00 2.80 H new ATOM 0 HA ARG A 21 16.561 10.705 7.884 1.00 3.55 H new ATOM 0 HB2 ARG A 21 18.828 12.137 7.682 1.00 4.19 H new ATOM 0 HB3 ARG A 21 17.690 13.468 7.636 1.00 4.19 H new ATOM 0 HG2 ARG A 21 17.811 11.364 9.829 1.00 4.83 H new ATOM 0 HG3 ARG A 21 18.532 12.958 9.929 1.00 4.83 H new ATOM 0 HD2 ARG A 21 16.297 14.003 9.686 1.00 5.36 H new ATOM 0 HD3 ARG A 21 15.560 12.420 9.533 1.00 5.36 H new ATOM 0 HE ARG A 21 17.031 12.403 11.956 1.00 5.87 H new ATOM 0 HH11 ARG A 21 14.229 14.045 10.543 1.00 6.84 H new ATOM 0 HH12 ARG A 21 13.467 14.327 12.112 1.00 6.84 H new ATOM 0 HH21 ARG A 21 16.042 12.776 13.953 1.00 7.28 H new ATOM 0 HH22 ARG A 21 14.488 13.613 14.031 1.00 7.28 H new ATOM 359 N LYS A 22 15.630 13.298 6.027 1.00 4.13 N ATOM 360 CA LYS A 22 14.485 14.139 5.698 1.00 4.90 C ATOM 361 C LYS A 22 14.512 14.590 4.239 1.00 5.04 C ATOM 362 O LYS A 22 13.509 14.479 3.529 1.00 5.58 O ATOM 363 CB LYS A 22 14.454 15.367 6.613 1.00 5.68 C ATOM 364 CG LYS A 22 13.274 16.290 6.355 1.00 6.44 C ATOM 365 CD LYS A 22 13.343 17.539 7.218 1.00 7.32 C ATOM 366 CE LYS A 22 12.165 18.464 6.953 1.00 8.19 C ATOM 367 NZ LYS A 22 10.867 17.827 7.294 1.00 8.70 N ATOM 0 H LYS A 22 16.480 13.514 5.507 1.00 4.13 H new ATOM 0 HA LYS A 22 13.586 13.541 5.850 1.00 4.90 H new ATOM 0 HB2 LYS A 22 14.425 15.035 7.651 1.00 5.68 H new ATOM 0 HB3 LYS A 22 15.379 15.929 6.484 1.00 5.68 H new ATOM 0 HG2 LYS A 22 13.257 16.574 5.303 1.00 6.44 H new ATOM 0 HG3 LYS A 22 12.344 15.758 6.557 1.00 6.44 H new ATOM 0 HD2 LYS A 22 13.355 17.255 8.270 1.00 7.32 H new ATOM 0 HD3 LYS A 22 14.275 18.069 7.020 1.00 7.32 H new ATOM 0 HE2 LYS A 22 12.284 19.378 7.535 1.00 8.19 H new ATOM 0 HE3 LYS A 22 12.161 18.754 5.902 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 10.119 18.550 7.311 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 10.636 17.106 6.581 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 10.936 17.378 8.230 1.00 8.70 H new ATOM 381 N GLY A 23 15.662 15.089 3.805 1.00 4.88 N ATOM 382 CA GLY A 23 15.778 15.713 2.497 1.00 5.26 C ATOM 383 C GLY A 23 15.395 14.810 1.339 1.00 5.25 C ATOM 384 O GLY A 23 14.578 15.198 0.503 1.00 5.67 O ATOM 0 H GLY A 23 16.529 15.073 4.342 1.00 4.88 H new ATOM 0 HA2 GLY A 23 15.147 16.602 2.474 1.00 5.26 H new ATOM 0 HA3 GLY A 23 16.806 16.048 2.357 1.00 5.26 H new ATOM 388 N HIS A 24 15.972 13.609 1.295 1.00 5.15 N ATOM 389 CA HIS A 24 15.805 12.710 0.150 1.00 5.44 C ATOM 390 C HIS A 24 16.285 13.413 -1.122 1.00 4.99 C ATOM 391 O HIS A 24 15.493 13.791 -1.985 1.00 5.43 O ATOM 392 CB HIS A 24 14.340 12.253 0.005 1.00 6.29 C ATOM 393 CG HIS A 24 14.107 11.261 -1.103 1.00 6.92 C ATOM 394 ND1 HIS A 24 13.692 11.628 -2.364 1.00 7.55 N ATOM 395 CD2 HIS A 24 14.230 9.912 -1.132 1.00 7.35 C ATOM 396 CE1 HIS A 24 13.569 10.553 -3.118 1.00 8.27 C ATOM 397 NE2 HIS A 24 13.888 9.498 -2.397 1.00 8.17 N ATOM 0 H HIS A 24 16.560 13.235 2.040 1.00 5.15 H new ATOM 0 HA HIS A 24 16.407 11.816 0.315 1.00 5.44 H new ATOM 0 HB2 HIS A 24 14.015 11.811 0.947 1.00 6.29 H new ATOM 0 HB3 HIS A 24 13.714 13.128 -0.169 1.00 6.29 H new ATOM 0 HD1 HIS A 24 13.508 12.584 -2.668 1.00 7.55 H new ATOM 0 HD2 HIS A 24 14.539 9.280 -0.313 1.00 7.35 H new ATOM 0 HE1 HIS A 24 13.259 10.540 -4.152 1.00 8.27 H new ATOM 406 N PHE A 25 17.592 13.607 -1.213 1.00 4.48 N ATOM 407 CA PHE A 25 18.189 14.309 -2.341 1.00 4.32 C ATOM 408 C PHE A 25 18.160 13.424 -3.577 1.00 3.71 C ATOM 409 O PHE A 25 17.859 13.877 -4.683 1.00 3.95 O ATOM 410 CB PHE A 25 19.631 14.710 -2.016 1.00 4.90 C ATOM 411 CG PHE A 25 19.767 15.501 -0.746 1.00 5.62 C ATOM 412 CD1 PHE A 25 19.644 16.880 -0.758 1.00 6.16 C ATOM 413 CD2 PHE A 25 20.018 14.865 0.460 1.00 6.16 C ATOM 414 CE1 PHE A 25 19.768 17.610 0.408 1.00 7.09 C ATOM 415 CE2 PHE A 25 20.141 15.589 1.629 1.00 7.08 C ATOM 416 CZ PHE A 25 20.016 16.964 1.603 1.00 7.50 C ATOM 0 H PHE A 25 18.263 13.286 -0.515 1.00 4.48 H new ATOM 0 HA PHE A 25 17.612 15.213 -2.537 1.00 4.32 H new ATOM 0 HB2 PHE A 25 20.241 13.810 -1.940 1.00 4.90 H new ATOM 0 HB3 PHE A 25 20.031 15.296 -2.843 1.00 4.90 H new ATOM 0 HD1 PHE A 25 19.449 17.391 -1.689 1.00 6.16 H new ATOM 0 HD2 PHE A 25 20.119 13.790 0.485 1.00 6.16 H new ATOM 0 HE1 PHE A 25 19.671 18.685 0.385 1.00 7.09 H new ATOM 0 HE2 PHE A 25 20.335 15.081 2.562 1.00 7.08 H new ATOM 0 HZ PHE A 25 20.112 17.533 2.516 1.00 7.50 H new ATOM 426 N ASP A 26 18.471 12.158 -3.371 1.00 3.49 N ATOM 427 CA ASP A 26 18.427 11.162 -4.428 1.00 3.48 C ATOM 428 C ASP A 26 17.540 10.017 -3.985 1.00 3.05 C ATOM 429 O ASP A 26 17.461 9.718 -2.791 1.00 3.62 O ATOM 430 CB ASP A 26 19.829 10.621 -4.729 1.00 4.39 C ATOM 431 CG ASP A 26 20.792 11.694 -5.192 1.00 5.09 C ATOM 432 OD1 ASP A 26 21.466 12.305 -4.336 1.00 5.48 O ATOM 433 OD2 ASP A 26 20.883 11.927 -6.416 1.00 5.62 O ATOM 0 H ASP A 26 18.762 11.790 -2.465 1.00 3.49 H new ATOM 0 HA ASP A 26 18.033 11.627 -5.332 1.00 3.48 H new ATOM 0 HB2 ASP A 26 20.228 10.144 -3.834 1.00 4.39 H new ATOM 0 HB3 ASP A 26 19.758 9.850 -5.496 1.00 4.39 H new ATOM 438 N THR A 27 16.862 9.382 -4.922 1.00 2.55 N ATOM 439 CA THR A 27 16.075 8.220 -4.586 1.00 2.52 C ATOM 440 C THR A 27 16.999 7.007 -4.532 1.00 1.71 C ATOM 441 O THR A 27 17.949 6.897 -5.312 1.00 2.29 O ATOM 442 CB THR A 27 14.891 8.016 -5.559 1.00 3.34 C ATOM 443 OG1 THR A 27 13.758 7.531 -4.825 1.00 3.84 O ATOM 444 CG2 THR A 27 15.226 7.047 -6.686 1.00 3.94 C ATOM 0 H THR A 27 16.842 9.649 -5.906 1.00 2.55 H new ATOM 0 HA THR A 27 15.619 8.364 -3.607 1.00 2.52 H new ATOM 0 HB THR A 27 14.667 8.979 -6.018 1.00 3.34 H new ATOM 0 HG1 THR A 27 13.719 6.554 -4.891 1.00 3.84 H new ATOM 0 HG21 THR A 27 14.362 6.938 -7.341 1.00 3.94 H new ATOM 0 HG22 THR A 27 16.069 7.433 -7.259 1.00 3.94 H new ATOM 0 HG23 THR A 27 15.487 6.076 -6.265 1.00 3.94 H new ATOM 452 N LEU A 28 16.738 6.122 -3.587 1.00 1.14 N ATOM 453 CA LEU A 28 17.708 5.113 -3.204 1.00 0.90 C ATOM 454 C LEU A 28 17.597 3.857 -4.056 1.00 0.71 C ATOM 455 O LEU A 28 16.601 3.636 -4.746 1.00 0.76 O ATOM 456 CB LEU A 28 17.553 4.757 -1.722 1.00 1.66 C ATOM 457 CG LEU A 28 17.807 5.896 -0.717 1.00 2.02 C ATOM 458 CD1 LEU A 28 19.094 6.636 -1.045 1.00 2.91 C ATOM 459 CD2 LEU A 28 16.628 6.860 -0.662 1.00 2.37 C ATOM 0 H LEU A 28 15.860 6.082 -3.070 1.00 1.14 H new ATOM 0 HA LEU A 28 18.697 5.538 -3.373 1.00 0.90 H new ATOM 0 HB2 LEU A 28 16.542 4.381 -1.564 1.00 1.66 H new ATOM 0 HB3 LEU A 28 18.237 3.940 -1.493 1.00 1.66 H new ATOM 0 HG LEU A 28 17.916 5.446 0.270 1.00 2.02 H new ATOM 0 HD11 LEU A 28 19.249 7.435 -0.320 1.00 2.91 H new ATOM 0 HD12 LEU A 28 19.933 5.942 -1.005 1.00 2.91 H new ATOM 0 HD13 LEU A 28 19.023 7.063 -2.046 1.00 2.91 H new ATOM 0 HD21 LEU A 28 16.839 7.652 0.056 1.00 2.37 H new ATOM 0 HD22 LEU A 28 16.469 7.297 -1.648 1.00 2.37 H new ATOM 0 HD23 LEU A 28 15.731 6.321 -0.355 1.00 2.37 H new ATOM 471 N SER A 29 18.638 3.042 -3.986 1.00 0.61 N ATOM 472 CA SER A 29 18.740 1.835 -4.783 1.00 0.49 C ATOM 473 C SER A 29 18.308 0.598 -3.988 1.00 0.44 C ATOM 474 O SER A 29 17.801 0.726 -2.870 1.00 0.53 O ATOM 475 CB SER A 29 20.175 1.693 -5.287 1.00 0.55 C ATOM 476 OG SER A 29 21.105 1.917 -4.241 1.00 1.35 O ATOM 0 H SER A 29 19.437 3.202 -3.372 1.00 0.61 H new ATOM 0 HA SER A 29 18.063 1.913 -5.634 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.322 0.696 -5.701 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.353 2.403 -6.095 1.00 0.55 H new ATOM 0 HG SER A 29 22.017 1.819 -4.587 1.00 1.35 H new ATOM 482 N LYS A 30 18.513 -0.587 -4.561 1.00 0.38 N ATOM 483 CA LYS A 30 18.012 -1.828 -3.973 1.00 0.36 C ATOM 484 C LYS A 30 18.545 -2.048 -2.562 1.00 0.36 C ATOM 485 O LYS A 30 17.822 -2.537 -1.710 1.00 0.37 O ATOM 486 CB LYS A 30 18.379 -3.027 -4.849 1.00 0.39 C ATOM 487 CG LYS A 30 17.509 -4.256 -4.600 1.00 0.41 C ATOM 488 CD LYS A 30 17.937 -5.447 -5.451 1.00 0.50 C ATOM 489 CE LYS A 30 18.459 -5.014 -6.817 1.00 0.52 C ATOM 490 NZ LYS A 30 18.813 -6.155 -7.707 1.00 1.32 N ATOM 0 H LYS A 30 19.024 -0.714 -5.435 1.00 0.38 H new ATOM 0 HA LYS A 30 16.927 -1.736 -3.916 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.295 -2.740 -5.897 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.422 -3.289 -4.673 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.560 -4.528 -3.546 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.469 -4.012 -4.816 1.00 0.41 H new ATOM 0 HD2 LYS A 30 18.712 -6.007 -4.927 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.091 -6.121 -5.583 1.00 0.50 H new ATOM 0 HE2 LYS A 30 17.703 -4.401 -7.308 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.338 -4.385 -6.678 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.254 -5.793 -8.576 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 19.480 -6.784 -7.216 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 17.952 -6.685 -7.951 1.00 1.32 H new ATOM 504 N GLY A 31 19.797 -1.673 -2.320 1.00 0.39 N ATOM 505 CA GLY A 31 20.410 -1.898 -1.016 1.00 0.40 C ATOM 506 C GLY A 31 19.637 -1.265 0.122 1.00 0.38 C ATOM 507 O GLY A 31 19.480 -1.866 1.189 1.00 0.39 O ATOM 0 H GLY A 31 20.402 -1.216 -3.002 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.491 -2.971 -0.840 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.424 -1.499 -1.024 1.00 0.40 H new ATOM 511 N GLU A 32 19.145 -0.061 -0.109 1.00 0.44 N ATOM 512 CA GLU A 32 18.428 0.683 0.913 1.00 0.50 C ATOM 513 C GLU A 32 17.038 0.105 1.127 1.00 0.42 C ATOM 514 O GLU A 32 16.535 0.055 2.251 1.00 0.44 O ATOM 515 CB GLU A 32 18.329 2.145 0.512 1.00 0.67 C ATOM 516 CG GLU A 32 19.684 2.820 0.358 1.00 0.96 C ATOM 517 CD GLU A 32 20.500 2.800 1.636 1.00 1.58 C ATOM 518 OE1 GLU A 32 21.196 1.797 1.887 1.00 2.44 O ATOM 519 OE2 GLU A 32 20.462 3.794 2.387 1.00 2.10 O ATOM 0 H GLU A 32 19.229 0.426 -1.001 1.00 0.44 H new ATOM 0 HA GLU A 32 18.979 0.603 1.850 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.784 2.220 -0.429 1.00 0.67 H new ATOM 0 HB3 GLU A 32 17.747 2.681 1.261 1.00 0.67 H new ATOM 0 HG2 GLU A 32 20.245 2.322 -0.433 1.00 0.96 H new ATOM 0 HG3 GLU A 32 19.536 3.853 0.043 1.00 0.96 H new ATOM 526 N LEU A 33 16.425 -0.338 0.041 1.00 0.38 N ATOM 527 CA LEU A 33 15.127 -0.978 0.112 1.00 0.34 C ATOM 528 C LEU A 33 15.270 -2.304 0.827 1.00 0.29 C ATOM 529 O LEU A 33 14.480 -2.642 1.694 1.00 0.32 O ATOM 530 CB LEU A 33 14.574 -1.200 -1.288 1.00 0.34 C ATOM 531 CG LEU A 33 13.113 -1.648 -1.335 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.209 -0.584 -0.732 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.689 -1.954 -2.760 1.00 0.46 C ATOM 0 H LEU A 33 16.809 -0.264 -0.901 1.00 0.38 H new ATOM 0 HA LEU A 33 14.436 -0.338 0.660 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.674 -0.274 -1.854 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.186 -1.949 -1.791 1.00 0.34 H new ATOM 0 HG LEU A 33 13.019 -2.560 -0.745 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.173 -0.920 -0.774 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.493 -0.411 0.306 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.313 0.343 -1.295 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.646 -2.271 -2.769 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.802 -1.060 -3.373 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.314 -2.751 -3.162 1.00 0.46 H new ATOM 545 N LYS A 34 16.313 -3.026 0.456 1.00 0.29 N ATOM 546 CA LYS A 34 16.674 -4.290 1.070 1.00 0.31 C ATOM 547 C LYS A 34 16.815 -4.129 2.578 1.00 0.35 C ATOM 548 O LYS A 34 16.341 -4.960 3.347 1.00 0.41 O ATOM 549 CB LYS A 34 17.985 -4.777 0.449 1.00 0.34 C ATOM 550 CG LYS A 34 18.666 -5.908 1.201 1.00 0.53 C ATOM 551 CD LYS A 34 20.000 -6.266 0.568 1.00 0.85 C ATOM 552 CE LYS A 34 20.667 -7.417 1.297 1.00 1.30 C ATOM 553 NZ LYS A 34 22.003 -7.739 0.733 1.00 1.87 N ATOM 0 H LYS A 34 16.944 -2.744 -0.294 1.00 0.29 H new ATOM 0 HA LYS A 34 15.891 -5.026 0.890 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.787 -5.106 -0.571 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.675 -3.935 0.385 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.820 -5.616 2.240 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.018 -6.784 1.209 1.00 0.53 H new ATOM 0 HD2 LYS A 34 19.848 -6.535 -0.477 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.656 -5.396 0.581 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.771 -7.165 2.352 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.029 -8.299 1.241 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.421 -8.531 1.262 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 21.903 -8.005 -0.267 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 22.622 -6.907 0.809 1.00 1.87 H new ATOM 567 N GLN A 35 17.461 -3.044 2.984 1.00 0.35 N ATOM 568 CA GLN A 35 17.586 -2.698 4.386 1.00 0.43 C ATOM 569 C GLN A 35 16.209 -2.608 5.030 1.00 0.43 C ATOM 570 O GLN A 35 15.907 -3.377 5.936 1.00 0.50 O ATOM 571 CB GLN A 35 18.352 -1.382 4.510 1.00 0.50 C ATOM 572 CG GLN A 35 18.428 -0.844 5.920 1.00 1.07 C ATOM 573 CD GLN A 35 19.285 0.399 6.015 1.00 1.68 C ATOM 574 OE1 GLN A 35 18.795 1.518 5.872 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.570 0.211 6.257 1.00 2.07 N ATOM 0 H GLN A 35 17.910 -2.383 2.350 1.00 0.35 H new ATOM 0 HA GLN A 35 18.142 -3.473 4.913 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.364 -1.526 4.132 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.877 -0.636 3.873 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.423 -0.617 6.275 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.833 -1.613 6.578 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.935 -0.735 6.369 1.00 2.07 H new ATOM 0 HE22 GLN A 35 21.197 1.012 6.332 1.00 2.07 H new ATOM 584 N LEU A 36 15.365 -1.710 4.524 1.00 0.38 N ATOM 585 CA LEU A 36 14.011 -1.543 5.038 1.00 0.39 C ATOM 586 C LEU A 36 13.263 -2.874 5.057 1.00 0.38 C ATOM 587 O LEU A 36 12.641 -3.230 6.039 1.00 0.45 O ATOM 588 CB LEU A 36 13.257 -0.517 4.182 1.00 0.36 C ATOM 589 CG LEU A 36 11.777 -0.314 4.527 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.349 1.094 4.181 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.911 -1.307 3.774 1.00 0.40 C ATOM 0 H LEU A 36 15.600 -1.084 3.753 1.00 0.38 H new ATOM 0 HA LEU A 36 14.071 -1.180 6.064 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.765 0.443 4.269 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.328 -0.822 3.138 1.00 0.36 H new ATOM 0 HG LEU A 36 11.651 -0.477 5.597 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.296 1.226 4.431 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.948 1.806 4.748 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.493 1.266 3.114 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.864 -1.146 4.033 1.00 0.40 H new ATOM 0 HD22 LEU A 36 11.045 -1.167 2.701 1.00 0.40 H new ATOM 0 HD23 LEU A 36 11.200 -2.322 4.046 1.00 0.40 H new ATOM 603 N LEU A 37 13.349 -3.608 3.971 1.00 0.34 N ATOM 604 CA LEU A 37 12.586 -4.833 3.807 1.00 0.35 C ATOM 605 C LEU A 37 13.005 -5.909 4.797 1.00 0.41 C ATOM 606 O LEU A 37 12.161 -6.513 5.459 1.00 0.45 O ATOM 607 CB LEU A 37 12.744 -5.337 2.380 1.00 0.34 C ATOM 608 CG LEU A 37 12.175 -4.402 1.318 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.549 -4.875 -0.077 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.668 -4.294 1.472 1.00 0.32 C ATOM 0 H LEU A 37 13.946 -3.377 3.177 1.00 0.34 H new ATOM 0 HA LEU A 37 11.539 -4.607 4.008 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.803 -5.495 2.178 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.255 -6.307 2.293 1.00 0.34 H new ATOM 0 HG LEU A 37 12.608 -3.412 1.457 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.132 -4.192 -0.817 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.634 -4.897 -0.175 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.150 -5.876 -0.241 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.271 -3.624 0.709 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.219 -5.281 1.358 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.431 -3.900 2.460 1.00 0.32 H new ATOM 622 N THR A 38 14.302 -6.132 4.911 1.00 0.45 N ATOM 623 CA THR A 38 14.818 -7.198 5.748 1.00 0.53 C ATOM 624 C THR A 38 14.580 -6.922 7.230 1.00 0.59 C ATOM 625 O THR A 38 14.467 -7.852 8.029 1.00 0.66 O ATOM 626 CB THR A 38 16.323 -7.423 5.502 1.00 0.55 C ATOM 627 OG1 THR A 38 17.035 -6.185 5.629 1.00 1.23 O ATOM 628 CG2 THR A 38 16.564 -8.005 4.120 1.00 1.03 C ATOM 0 H THR A 38 15.019 -5.587 4.432 1.00 0.45 H new ATOM 0 HA THR A 38 14.273 -8.101 5.473 1.00 0.53 H new ATOM 0 HB THR A 38 16.685 -8.130 6.249 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.080 -5.742 4.756 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.633 -8.155 3.970 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.048 -8.961 4.033 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.184 -7.317 3.364 1.00 1.03 H new ATOM 636 N LYS A 39 14.520 -5.650 7.602 1.00 0.58 N ATOM 637 CA LYS A 39 14.332 -5.291 8.999 1.00 0.66 C ATOM 638 C LYS A 39 12.868 -4.988 9.339 1.00 0.64 C ATOM 639 O LYS A 39 12.404 -5.331 10.425 1.00 0.72 O ATOM 640 CB LYS A 39 15.230 -4.112 9.379 1.00 0.72 C ATOM 641 CG LYS A 39 14.921 -2.836 8.617 1.00 0.68 C ATOM 642 CD LYS A 39 16.103 -1.877 8.600 1.00 0.73 C ATOM 643 CE LYS A 39 16.510 -1.469 10.008 1.00 0.87 C ATOM 644 NZ LYS A 39 17.601 -0.459 10.008 1.00 1.61 N ATOM 0 H LYS A 39 14.598 -4.859 6.963 1.00 0.58 H new ATOM 0 HA LYS A 39 14.620 -6.161 9.590 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.129 -3.920 10.447 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.270 -4.387 9.202 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.642 -3.085 7.593 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.061 -2.343 9.071 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.948 -2.348 8.098 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.844 -0.989 8.023 1.00 0.73 H new ATOM 0 HE2 LYS A 39 15.644 -1.065 10.532 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.834 -2.351 10.560 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 17.845 -0.211 10.988 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 18.438 -0.852 9.532 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 17.284 0.394 9.504 1.00 1.61 H new ATOM 658 N GLU A 40 12.137 -4.378 8.409 1.00 0.57 N ATOM 659 CA GLU A 40 10.806 -3.852 8.713 1.00 0.58 C ATOM 660 C GLU A 40 9.705 -4.817 8.282 1.00 0.56 C ATOM 661 O GLU A 40 8.697 -4.972 8.972 1.00 0.64 O ATOM 662 CB GLU A 40 10.599 -2.487 8.034 1.00 0.58 C ATOM 663 CG GLU A 40 11.613 -1.422 8.436 1.00 0.87 C ATOM 664 CD GLU A 40 11.666 -1.160 9.931 1.00 1.14 C ATOM 665 OE1 GLU A 40 12.248 -1.982 10.666 1.00 1.67 O ATOM 666 OE2 GLU A 40 11.150 -0.112 10.377 1.00 1.63 O ATOM 0 H GLU A 40 12.440 -4.236 7.445 1.00 0.57 H new ATOM 0 HA GLU A 40 10.744 -3.731 9.794 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.642 -2.622 6.953 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.598 -2.126 8.270 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.602 -1.728 8.095 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.372 -0.492 7.922 1.00 0.87 H new ATOM 673 N LEU A 41 9.904 -5.468 7.142 1.00 0.50 N ATOM 674 CA LEU A 41 8.906 -6.389 6.594 1.00 0.49 C ATOM 675 C LEU A 41 9.416 -7.819 6.706 1.00 0.52 C ATOM 676 O LEU A 41 8.989 -8.707 5.961 1.00 0.53 O ATOM 677 CB LEU A 41 8.589 -6.066 5.120 1.00 0.43 C ATOM 678 CG LEU A 41 7.792 -4.779 4.847 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.556 -3.538 5.275 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.443 -4.688 3.370 1.00 1.42 C ATOM 0 H LEU A 41 10.748 -5.377 6.576 1.00 0.50 H new ATOM 0 HA LEU A 41 7.987 -6.275 7.170 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.531 -6.004 4.576 1.00 0.43 H new ATOM 0 HB3 LEU A 41 8.034 -6.905 4.700 1.00 0.43 H new ATOM 0 HG LEU A 41 6.878 -4.825 5.439 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.957 -2.652 5.065 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.765 -3.590 6.344 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.495 -3.481 4.724 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.879 -3.774 3.185 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.359 -4.674 2.780 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.840 -5.550 3.085 1.00 1.42 H new ATOM 692 N ALA A 42 10.324 -8.021 7.659 1.00 0.58 N ATOM 693 CA ALA A 42 11.032 -9.289 7.837 1.00 0.64 C ATOM 694 C ALA A 42 10.099 -10.493 7.944 1.00 0.71 C ATOM 695 O ALA A 42 10.467 -11.601 7.556 1.00 0.78 O ATOM 696 CB ALA A 42 11.914 -9.219 9.072 1.00 0.71 C ATOM 0 H ALA A 42 10.592 -7.305 8.334 1.00 0.58 H new ATOM 0 HA ALA A 42 11.637 -9.435 6.942 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.438 -10.166 9.199 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.641 -8.415 8.955 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.297 -9.026 9.949 1.00 0.71 H new ATOM 702 N ASN A 43 8.899 -10.282 8.462 1.00 0.74 N ATOM 703 CA ASN A 43 7.988 -11.390 8.718 1.00 0.83 C ATOM 704 C ASN A 43 6.669 -11.206 7.969 1.00 0.83 C ATOM 705 O ASN A 43 5.608 -11.617 8.438 1.00 1.07 O ATOM 706 CB ASN A 43 7.745 -11.531 10.226 1.00 0.99 C ATOM 707 CG ASN A 43 7.030 -12.823 10.606 1.00 1.28 C ATOM 708 OD1 ASN A 43 6.256 -12.857 11.560 1.00 1.56 O ATOM 709 ND2 ASN A 43 7.301 -13.901 9.884 1.00 2.16 N ATOM 0 H ASN A 43 8.534 -9.363 8.712 1.00 0.74 H new ATOM 0 HA ASN A 43 8.449 -12.307 8.349 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.702 -11.487 10.746 1.00 0.99 H new ATOM 0 HB3 ASN A 43 7.155 -10.683 10.572 1.00 0.99 H new ATOM 0 HD21 ASN A 43 6.862 -14.793 10.114 1.00 2.16 H new ATOM 0 HD22 ASN A 43 7.948 -13.839 9.098 1.00 2.16 H new ATOM 716 N THR A 44 6.728 -10.577 6.808 1.00 0.65 N ATOM 717 CA THR A 44 5.546 -10.449 5.971 1.00 0.61 C ATOM 718 C THR A 44 5.774 -11.129 4.634 1.00 0.59 C ATOM 719 O THR A 44 5.157 -12.143 4.320 1.00 0.66 O ATOM 720 CB THR A 44 5.175 -8.979 5.720 1.00 0.56 C ATOM 721 OG1 THR A 44 5.158 -8.258 6.961 1.00 0.65 O ATOM 722 CG2 THR A 44 3.808 -8.881 5.051 1.00 0.53 C ATOM 0 H THR A 44 7.572 -10.151 6.426 1.00 0.65 H new ATOM 0 HA THR A 44 4.725 -10.927 6.505 1.00 0.61 H new ATOM 0 HB THR A 44 5.923 -8.541 5.059 1.00 0.56 H new ATOM 0 HG1 THR A 44 4.402 -7.635 6.967 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.561 -7.833 4.880 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.831 -9.408 4.097 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.054 -9.331 5.696 1.00 0.53 H new ATOM 730 N ILE A 45 6.690 -10.568 3.866 1.00 0.52 N ATOM 731 CA ILE A 45 6.994 -11.065 2.539 1.00 0.52 C ATOM 732 C ILE A 45 7.851 -12.322 2.638 1.00 0.59 C ATOM 733 O ILE A 45 8.818 -12.347 3.402 1.00 0.60 O ATOM 734 CB ILE A 45 7.741 -9.988 1.731 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.946 -8.677 1.714 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.009 -10.478 0.313 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.597 -7.583 0.893 1.00 0.36 C ATOM 0 H ILE A 45 7.242 -9.757 4.145 1.00 0.52 H new ATOM 0 HA ILE A 45 6.061 -11.308 2.031 1.00 0.52 H new ATOM 0 HB ILE A 45 8.699 -9.796 2.213 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.949 -8.872 1.319 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.820 -8.325 2.738 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.538 -9.705 -0.245 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.619 -11.381 0.349 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.063 -10.699 -0.181 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.979 -6.686 0.927 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.583 -7.360 1.301 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.698 -7.915 -0.140 1.00 0.36 H new ATOM 749 N LYS A 46 7.481 -13.367 1.887 1.00 0.67 N ATOM 750 CA LYS A 46 8.204 -14.634 1.927 1.00 0.73 C ATOM 751 C LYS A 46 9.676 -14.419 1.657 1.00 0.68 C ATOM 752 O LYS A 46 10.046 -13.785 0.668 1.00 0.63 O ATOM 753 CB LYS A 46 7.623 -15.647 0.920 1.00 0.82 C ATOM 754 CG LYS A 46 7.946 -15.385 -0.552 1.00 0.79 C ATOM 755 CD LYS A 46 9.212 -16.117 -0.992 1.00 0.75 C ATOM 756 CE LYS A 46 9.445 -15.970 -2.488 1.00 0.88 C ATOM 757 NZ LYS A 46 8.376 -16.631 -3.291 1.00 1.61 N ATOM 0 H LYS A 46 6.687 -13.355 1.247 1.00 0.67 H new ATOM 0 HA LYS A 46 8.086 -15.046 2.929 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.989 -16.640 1.181 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.539 -15.665 1.037 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.107 -15.704 -1.171 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.071 -14.314 -0.712 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.070 -15.723 -0.448 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.131 -17.174 -0.737 1.00 0.75 H new ATOM 0 HE2 LYS A 46 9.489 -14.912 -2.745 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.412 -16.401 -2.748 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 8.658 -16.655 -4.292 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.235 -17.603 -2.948 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 7.489 -16.097 -3.194 1.00 1.61 H new ATOM 771 N ASN A 47 10.501 -14.924 2.565 1.00 0.71 N ATOM 772 CA ASN A 47 11.947 -14.866 2.417 1.00 0.67 C ATOM 773 C ASN A 47 12.413 -13.482 2.001 1.00 0.59 C ATOM 774 O ASN A 47 13.283 -13.347 1.146 1.00 0.57 O ATOM 775 CB ASN A 47 12.427 -15.892 1.394 1.00 0.69 C ATOM 776 CG ASN A 47 12.472 -17.303 1.944 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.638 -17.698 2.758 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.468 -18.063 1.524 1.00 1.24 N ATOM 0 H ASN A 47 10.187 -15.383 3.420 1.00 0.71 H new ATOM 0 HA ASN A 47 12.378 -15.097 3.391 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.767 -15.867 0.527 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.421 -15.612 1.046 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.566 -19.015 1.876 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.139 -17.697 0.848 1.00 1.24 H new ATOM 785 N ILE A 48 11.834 -12.454 2.609 1.00 0.55 N ATOM 786 CA ILE A 48 12.198 -11.072 2.301 1.00 0.48 C ATOM 787 C ILE A 48 13.664 -10.816 2.654 1.00 0.48 C ATOM 788 O ILE A 48 14.231 -9.766 2.362 1.00 0.43 O ATOM 789 CB ILE A 48 11.296 -10.077 3.064 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.494 -8.646 2.554 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.577 -10.146 4.555 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.245 -8.491 1.069 1.00 0.38 C ATOM 0 H ILE A 48 11.109 -12.549 3.320 1.00 0.55 H new ATOM 0 HA ILE A 48 12.054 -10.919 1.231 1.00 0.48 H new ATOM 0 HB ILE A 48 10.259 -10.359 2.885 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.824 -7.980 3.098 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.512 -8.327 2.778 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.934 -9.439 5.080 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.378 -11.155 4.916 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.621 -9.893 4.741 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.404 -7.452 0.780 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.933 -9.131 0.516 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.219 -8.778 0.840 1.00 0.38 H new ATOM 804 N LYS A 49 14.264 -11.804 3.286 1.00 0.56 N ATOM 805 CA LYS A 49 15.655 -11.749 3.666 1.00 0.57 C ATOM 806 C LYS A 49 16.530 -12.182 2.499 1.00 0.55 C ATOM 807 O LYS A 49 17.744 -11.979 2.504 1.00 0.56 O ATOM 808 CB LYS A 49 15.883 -12.659 4.864 1.00 0.65 C ATOM 809 CG LYS A 49 14.901 -12.396 5.996 1.00 0.73 C ATOM 810 CD LYS A 49 14.970 -10.960 6.507 1.00 0.72 C ATOM 811 CE LYS A 49 15.977 -10.786 7.638 1.00 0.82 C ATOM 812 NZ LYS A 49 17.367 -11.148 7.243 1.00 1.11 N ATOM 0 H LYS A 49 13.795 -12.671 3.550 1.00 0.56 H new ATOM 0 HA LYS A 49 15.920 -10.727 3.936 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.796 -13.698 4.547 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.900 -12.521 5.231 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.889 -12.607 5.651 1.00 0.73 H new ATOM 0 HG3 LYS A 49 15.107 -13.081 6.818 1.00 0.73 H new ATOM 0 HD2 LYS A 49 15.237 -10.298 5.683 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.983 -10.654 6.854 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.960 -9.750 7.976 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.674 -11.402 8.484 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 18.040 -10.720 7.911 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 17.474 -12.182 7.258 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.559 -10.794 6.284 1.00 1.11 H new ATOM 826 N ASP A 50 15.897 -12.775 1.500 1.00 0.55 N ATOM 827 CA ASP A 50 16.600 -13.266 0.328 1.00 0.56 C ATOM 828 C ASP A 50 16.719 -12.195 -0.731 1.00 0.50 C ATOM 829 O ASP A 50 15.747 -11.538 -1.091 1.00 0.47 O ATOM 830 CB ASP A 50 15.900 -14.491 -0.260 1.00 0.62 C ATOM 831 CG ASP A 50 16.404 -15.785 0.340 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.413 -16.321 -0.168 1.00 1.58 O ATOM 833 OD2 ASP A 50 15.803 -16.276 1.315 1.00 1.57 O ATOM 0 H ASP A 50 14.889 -12.928 1.479 1.00 0.55 H new ATOM 0 HA ASP A 50 17.601 -13.551 0.651 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.826 -14.409 -0.091 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.052 -14.510 -1.339 1.00 0.62 H new ATOM 838 N LYS A 51 17.932 -12.046 -1.230 1.00 0.50 N ATOM 839 CA LYS A 51 18.232 -11.095 -2.281 1.00 0.48 C ATOM 840 C LYS A 51 17.505 -11.466 -3.562 1.00 0.50 C ATOM 841 O LYS A 51 17.171 -10.600 -4.359 1.00 0.48 O ATOM 842 CB LYS A 51 19.733 -11.069 -2.521 1.00 0.53 C ATOM 843 CG LYS A 51 20.169 -10.221 -3.705 1.00 0.83 C ATOM 844 CD LYS A 51 19.840 -8.749 -3.509 1.00 0.60 C ATOM 845 CE LYS A 51 20.282 -7.930 -4.713 1.00 0.83 C ATOM 846 NZ LYS A 51 21.711 -8.170 -5.052 1.00 0.92 N ATOM 0 H LYS A 51 18.739 -12.584 -0.916 1.00 0.50 H new ATOM 0 HA LYS A 51 17.894 -10.106 -1.972 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.225 -10.696 -1.623 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.081 -12.090 -2.674 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.243 -10.335 -3.856 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.680 -10.584 -4.609 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.767 -8.629 -3.356 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.333 -8.378 -2.611 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.658 -8.180 -5.571 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.131 -6.870 -4.507 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.044 -7.426 -5.698 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.281 -8.155 -4.182 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.807 -9.097 -5.513 1.00 0.92 H new ATOM 860 N ALA A 52 17.258 -12.755 -3.749 1.00 0.55 N ATOM 861 CA ALA A 52 16.517 -13.222 -4.912 1.00 0.60 C ATOM 862 C ALA A 52 15.081 -12.762 -4.809 1.00 0.58 C ATOM 863 O ALA A 52 14.430 -12.458 -5.803 1.00 0.60 O ATOM 864 CB ALA A 52 16.566 -14.734 -5.008 1.00 0.67 C ATOM 0 H ALA A 52 17.559 -13.493 -3.113 1.00 0.55 H new ATOM 0 HA ALA A 52 16.974 -12.806 -5.810 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.006 -15.061 -5.884 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.602 -15.060 -5.097 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.125 -15.170 -4.112 1.00 0.67 H new ATOM 870 N VAL A 53 14.612 -12.695 -3.578 1.00 0.54 N ATOM 871 CA VAL A 53 13.258 -12.260 -3.288 1.00 0.53 C ATOM 872 C VAL A 53 13.174 -10.750 -3.408 1.00 0.47 C ATOM 873 O VAL A 53 12.284 -10.212 -4.064 1.00 0.48 O ATOM 874 CB VAL A 53 12.838 -12.707 -1.873 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.564 -12.008 -1.411 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.651 -14.213 -1.833 1.00 0.60 C ATOM 0 H VAL A 53 15.157 -12.940 -2.751 1.00 0.54 H new ATOM 0 HA VAL A 53 12.577 -12.717 -4.006 1.00 0.53 H new ATOM 0 HB VAL A 53 13.637 -12.423 -1.188 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.303 -12.351 -0.410 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.726 -10.930 -1.394 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.751 -12.242 -2.098 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.355 -14.516 -0.829 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.876 -14.502 -2.543 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.588 -14.703 -2.098 1.00 0.60 H new ATOM 886 N ILE A 54 14.131 -10.084 -2.786 1.00 0.42 N ATOM 887 CA ILE A 54 14.214 -8.633 -2.819 1.00 0.36 C ATOM 888 C ILE A 54 14.378 -8.108 -4.232 1.00 0.38 C ATOM 889 O ILE A 54 13.741 -7.131 -4.617 1.00 0.38 O ATOM 890 CB ILE A 54 15.381 -8.151 -1.965 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.075 -8.488 -0.517 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.619 -6.654 -2.153 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.142 -8.046 0.442 1.00 0.38 C ATOM 0 H ILE A 54 14.871 -10.532 -2.245 1.00 0.42 H new ATOM 0 HA ILE A 54 13.276 -8.248 -2.418 1.00 0.36 H new ATOM 0 HB ILE A 54 16.300 -8.651 -2.271 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.130 -8.022 -0.236 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.939 -9.566 -0.425 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.457 -6.338 -1.532 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.846 -6.450 -3.199 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.724 -6.104 -1.862 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.855 -8.320 1.457 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.084 -8.532 0.187 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.263 -6.965 0.379 1.00 0.38 H new ATOM 905 N ASP A 55 15.234 -8.762 -4.995 1.00 0.43 N ATOM 906 CA ASP A 55 15.487 -8.368 -6.368 1.00 0.47 C ATOM 907 C ASP A 55 14.216 -8.460 -7.168 1.00 0.48 C ATOM 908 O ASP A 55 13.833 -7.516 -7.836 1.00 0.49 O ATOM 909 CB ASP A 55 16.555 -9.254 -6.988 1.00 0.55 C ATOM 910 CG ASP A 55 16.700 -9.038 -8.474 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.385 -8.074 -8.859 1.00 1.53 O ATOM 912 OD2 ASP A 55 16.139 -9.833 -9.257 1.00 1.44 O ATOM 0 H ASP A 55 15.769 -9.573 -4.684 1.00 0.43 H new ATOM 0 HA ASP A 55 15.843 -7.338 -6.376 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.511 -9.059 -6.502 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.309 -10.299 -6.799 1.00 0.55 H new ATOM 917 N GLU A 56 13.560 -9.595 -7.057 1.00 0.51 N ATOM 918 CA GLU A 56 12.276 -9.815 -7.689 1.00 0.54 C ATOM 919 C GLU A 56 11.324 -8.640 -7.441 1.00 0.47 C ATOM 920 O GLU A 56 10.696 -8.121 -8.372 1.00 0.49 O ATOM 921 CB GLU A 56 11.688 -11.110 -7.143 1.00 0.58 C ATOM 922 CG GLU A 56 12.193 -12.356 -7.852 1.00 0.69 C ATOM 923 CD GLU A 56 11.859 -12.358 -9.326 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.760 -12.829 -9.688 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.688 -11.885 -10.132 1.00 1.66 O ATOM 0 H GLU A 56 13.903 -10.394 -6.524 1.00 0.51 H new ATOM 0 HA GLU A 56 12.412 -9.892 -8.768 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.923 -11.186 -6.081 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.602 -11.070 -7.227 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.273 -12.428 -7.727 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.758 -13.239 -7.383 1.00 0.69 H new ATOM 932 N ILE A 57 11.258 -8.192 -6.193 1.00 0.42 N ATOM 933 CA ILE A 57 10.364 -7.116 -5.823 1.00 0.39 C ATOM 934 C ILE A 57 10.861 -5.779 -6.361 1.00 0.36 C ATOM 935 O ILE A 57 10.159 -5.102 -7.108 1.00 0.37 O ATOM 936 CB ILE A 57 10.246 -7.022 -4.303 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.853 -8.376 -3.715 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.234 -5.960 -3.932 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.804 -8.392 -2.206 1.00 1.00 C ATOM 0 H ILE A 57 11.816 -8.562 -5.423 1.00 0.42 H new ATOM 0 HA ILE A 57 9.389 -7.335 -6.258 1.00 0.39 H new ATOM 0 HB ILE A 57 11.214 -6.742 -3.887 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.876 -8.661 -4.104 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.564 -9.130 -4.055 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.154 -5.897 -2.847 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.555 -4.997 -4.328 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.263 -6.220 -4.353 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.518 -9.386 -1.862 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.786 -8.139 -1.807 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.072 -7.663 -1.858 1.00 1.00 H new ATOM 951 N PHE A 58 12.083 -5.421 -5.981 1.00 0.35 N ATOM 952 CA PHE A 58 12.682 -4.148 -6.364 1.00 0.36 C ATOM 953 C PHE A 58 12.670 -3.971 -7.873 1.00 0.41 C ATOM 954 O PHE A 58 12.324 -2.911 -8.375 1.00 0.44 O ATOM 955 CB PHE A 58 14.119 -4.061 -5.850 1.00 0.38 C ATOM 956 CG PHE A 58 14.834 -2.818 -6.293 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.641 -1.615 -5.637 1.00 1.52 C ATOM 958 CD2 PHE A 58 15.700 -2.857 -7.371 1.00 1.12 C ATOM 959 CE1 PHE A 58 15.297 -0.473 -6.050 1.00 1.68 C ATOM 960 CE2 PHE A 58 16.356 -1.722 -7.788 1.00 1.16 C ATOM 961 CZ PHE A 58 16.157 -0.528 -7.126 1.00 0.93 C ATOM 0 H PHE A 58 12.685 -6.004 -5.400 1.00 0.35 H new ATOM 0 HA PHE A 58 12.088 -3.351 -5.915 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.111 -4.098 -4.761 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.674 -4.933 -6.195 1.00 0.38 H new ATOM 0 HD1 PHE A 58 13.970 -1.569 -4.792 1.00 1.52 H new ATOM 0 HD2 PHE A 58 15.863 -3.789 -7.891 1.00 1.12 H new ATOM 0 HE1 PHE A 58 15.137 0.461 -5.532 1.00 1.68 H new ATOM 0 HE2 PHE A 58 17.027 -1.766 -8.633 1.00 1.16 H new ATOM 0 HZ PHE A 58 16.674 0.363 -7.450 1.00 0.93 H new ATOM 971 N GLN A 59 13.043 -5.022 -8.583 1.00 0.45 N ATOM 972 CA GLN A 59 13.077 -5.006 -10.036 1.00 0.52 C ATOM 973 C GLN A 59 11.675 -4.803 -10.596 1.00 0.52 C ATOM 974 O GLN A 59 11.502 -4.234 -11.675 1.00 0.57 O ATOM 975 CB GLN A 59 13.680 -6.310 -10.562 1.00 0.58 C ATOM 976 CG GLN A 59 15.167 -6.465 -10.260 1.00 0.61 C ATOM 977 CD GLN A 59 16.024 -5.468 -11.011 1.00 1.10 C ATOM 978 OE1 GLN A 59 16.508 -5.752 -12.106 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.202 -4.287 -10.442 1.00 1.63 N ATOM 0 H GLN A 59 13.330 -5.909 -8.170 1.00 0.45 H new ATOM 0 HA GLN A 59 13.702 -4.176 -10.364 1.00 0.52 H new ATOM 0 HB2 GLN A 59 13.140 -7.151 -10.126 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.530 -6.360 -11.641 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.330 -6.344 -9.189 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.482 -7.476 -10.518 1.00 0.61 H new ATOM 0 HE21 GLN A 59 15.784 -4.091 -9.533 1.00 1.63 H new ATOM 0 HE22 GLN A 59 16.758 -3.573 -10.913 1.00 1.63 H new ATOM 988 N GLY A 60 10.679 -5.269 -9.848 1.00 0.48 N ATOM 989 CA GLY A 60 9.298 -5.039 -10.224 1.00 0.49 C ATOM 990 C GLY A 60 8.900 -3.576 -10.121 1.00 0.47 C ATOM 991 O GLY A 60 8.064 -3.101 -10.890 1.00 0.53 O ATOM 0 H GLY A 60 10.805 -5.802 -8.988 1.00 0.48 H new ATOM 0 HA2 GLY A 60 9.142 -5.383 -11.246 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.647 -5.635 -9.584 1.00 0.49 H new ATOM 995 N LEU A 61 9.500 -2.853 -9.178 1.00 0.42 N ATOM 996 CA LEU A 61 9.188 -1.439 -8.996 1.00 0.44 C ATOM 997 C LEU A 61 10.104 -0.592 -9.864 1.00 0.51 C ATOM 998 O LEU A 61 9.678 0.403 -10.451 1.00 0.58 O ATOM 999 CB LEU A 61 9.335 -1.015 -7.527 1.00 0.39 C ATOM 1000 CG LEU A 61 9.441 -2.154 -6.514 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.948 -1.625 -5.185 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.091 -2.832 -6.335 1.00 0.35 C ATOM 0 H LEU A 61 10.200 -3.220 -8.533 1.00 0.42 H new ATOM 0 HA LEU A 61 8.150 -1.285 -9.292 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.223 -0.389 -7.436 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.479 -0.395 -7.260 1.00 0.39 H new ATOM 0 HG LEU A 61 10.150 -2.892 -6.890 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.020 -2.445 -4.470 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.932 -1.177 -5.323 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.257 -0.872 -4.805 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.183 -3.641 -5.610 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.363 -2.104 -5.976 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.758 -3.237 -7.290 1.00 0.35 H new ATOM 1014 N ASP A 62 11.362 -1.013 -9.942 1.00 0.50 N ATOM 1015 CA ASP A 62 12.379 -0.324 -10.731 1.00 0.59 C ATOM 1016 C ASP A 62 12.156 -0.581 -12.215 1.00 0.70 C ATOM 1017 O ASP A 62 12.879 -1.347 -12.856 1.00 0.75 O ATOM 1018 CB ASP A 62 13.782 -0.779 -10.306 1.00 0.57 C ATOM 1019 CG ASP A 62 14.894 -0.071 -11.064 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.897 1.177 -11.104 1.00 1.11 O ATOM 1021 OD2 ASP A 62 15.776 -0.764 -11.618 1.00 1.40 O ATOM 0 H ASP A 62 11.706 -1.843 -9.459 1.00 0.50 H new ATOM 0 HA ASP A 62 12.298 0.748 -10.551 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.907 -0.600 -9.238 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.872 -1.854 -10.462 1.00 0.57 H new ATOM 1026 N ALA A 63 11.123 0.050 -12.740 1.00 0.78 N ATOM 1027 CA ALA A 63 10.749 -0.092 -14.137 1.00 0.94 C ATOM 1028 C ALA A 63 11.767 0.565 -15.055 1.00 1.12 C ATOM 1029 O ALA A 63 11.995 0.108 -16.174 1.00 1.30 O ATOM 1030 CB ALA A 63 9.381 0.515 -14.364 1.00 0.99 C ATOM 0 H ALA A 63 10.518 0.677 -12.210 1.00 0.78 H new ATOM 0 HA ALA A 63 10.722 -1.156 -14.374 1.00 0.94 H new ATOM 0 HB1 ALA A 63 9.104 0.406 -15.413 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.648 0.003 -13.740 1.00 0.99 H new ATOM 0 HB3 ALA A 63 9.404 1.573 -14.103 1.00 0.99 H new ATOM 1036 N ASN A 64 12.383 1.638 -14.575 1.00 1.09 N ATOM 1037 CA ASN A 64 13.348 2.385 -15.372 1.00 1.28 C ATOM 1038 C ASN A 64 14.663 1.627 -15.485 1.00 1.21 C ATOM 1039 O ASN A 64 15.500 1.933 -16.337 1.00 1.37 O ATOM 1040 CB ASN A 64 13.592 3.766 -14.765 1.00 1.34 C ATOM 1041 CG ASN A 64 12.430 4.717 -14.971 1.00 2.03 C ATOM 1042 OD1 ASN A 64 11.701 4.630 -15.960 1.00 2.55 O ATOM 1043 ND2 ASN A 64 12.255 5.639 -14.038 1.00 2.80 N ATOM 0 H ASN A 64 12.232 2.011 -13.638 1.00 1.09 H new ATOM 0 HA ASN A 64 12.932 2.508 -16.372 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.782 3.659 -13.697 1.00 1.34 H new ATOM 0 HB3 ASN A 64 14.490 4.197 -15.207 1.00 1.34 H new ATOM 0 HD21 ASN A 64 11.493 6.312 -14.123 1.00 2.80 H new ATOM 0 HD22 ASN A 64 12.882 5.676 -13.234 1.00 2.80 H new ATOM 1050 N GLN A 65 14.827 0.640 -14.604 1.00 1.03 N ATOM 1051 CA GLN A 65 15.990 -0.244 -14.601 1.00 1.05 C ATOM 1052 C GLN A 65 17.274 0.519 -14.300 1.00 1.04 C ATOM 1053 O GLN A 65 18.360 0.120 -14.718 1.00 1.17 O ATOM 1054 CB GLN A 65 16.108 -0.998 -15.929 1.00 1.31 C ATOM 1055 CG GLN A 65 14.925 -1.911 -16.210 1.00 1.37 C ATOM 1056 CD GLN A 65 15.117 -2.754 -17.453 1.00 2.03 C ATOM 1057 OE1 GLN A 65 15.794 -2.347 -18.401 1.00 2.72 O ATOM 1058 NE2 GLN A 65 14.522 -3.935 -17.460 1.00 2.57 N ATOM 0 H GLN A 65 14.152 0.431 -13.868 1.00 1.03 H new ATOM 0 HA GLN A 65 15.843 -0.973 -13.804 1.00 1.05 H new ATOM 0 HB2 GLN A 65 16.202 -0.277 -16.741 1.00 1.31 H new ATOM 0 HB3 GLN A 65 17.022 -1.591 -15.922 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.766 -2.566 -15.353 1.00 1.37 H new ATOM 0 HG3 GLN A 65 14.024 -1.307 -16.321 1.00 1.37 H new ATOM 0 HE21 GLN A 65 13.971 -4.233 -16.655 1.00 2.57 H new ATOM 0 HE22 GLN A 65 14.614 -4.548 -18.270 1.00 2.57 H new ATOM 1067 N ASP A 66 17.144 1.610 -13.555 1.00 0.93 N ATOM 1068 CA ASP A 66 18.301 2.399 -13.146 1.00 0.95 C ATOM 1069 C ASP A 66 18.701 2.031 -11.728 1.00 0.81 C ATOM 1070 O ASP A 66 19.591 2.646 -11.142 1.00 0.82 O ATOM 1071 CB ASP A 66 18.009 3.904 -13.210 1.00 1.06 C ATOM 1072 CG ASP A 66 17.820 4.420 -14.620 1.00 1.42 C ATOM 1073 OD1 ASP A 66 18.800 4.441 -15.393 1.00 1.89 O ATOM 1074 OD2 ASP A 66 16.691 4.832 -14.961 1.00 2.13 O ATOM 0 H ASP A 66 16.249 1.969 -13.221 1.00 0.93 H new ATOM 0 HA ASP A 66 19.114 2.176 -13.837 1.00 0.95 H new ATOM 0 HB2 ASP A 66 17.111 4.117 -12.630 1.00 1.06 H new ATOM 0 HB3 ASP A 66 18.829 4.446 -12.740 1.00 1.06 H new ATOM 1079 N GLU A 67 18.013 1.025 -11.193 1.00 0.73 N ATOM 1080 CA GLU A 67 18.194 0.581 -9.819 1.00 0.63 C ATOM 1081 C GLU A 67 17.817 1.709 -8.865 1.00 0.58 C ATOM 1082 O GLU A 67 18.570 2.069 -7.959 1.00 0.60 O ATOM 1083 CB GLU A 67 19.628 0.089 -9.567 1.00 0.68 C ATOM 1084 CG GLU A 67 19.796 -0.643 -8.243 1.00 0.97 C ATOM 1085 CD GLU A 67 21.194 -1.184 -8.036 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.488 -2.286 -8.547 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.999 -0.526 -7.343 1.00 2.01 O ATOM 0 H GLU A 67 17.310 0.493 -11.707 1.00 0.73 H new ATOM 0 HA GLU A 67 17.536 -0.269 -9.638 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.924 -0.574 -10.380 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.306 0.943 -9.589 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.551 0.036 -7.426 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.084 -1.467 -8.197 1.00 0.97 H new ATOM 1094 N GLN A 68 16.638 2.272 -9.085 1.00 0.61 N ATOM 1095 CA GLN A 68 16.151 3.380 -8.280 1.00 0.65 C ATOM 1096 C GLN A 68 14.676 3.193 -7.955 1.00 0.66 C ATOM 1097 O GLN A 68 13.850 3.112 -8.859 1.00 0.78 O ATOM 1098 CB GLN A 68 16.345 4.702 -9.026 1.00 0.85 C ATOM 1099 CG GLN A 68 17.795 5.034 -9.335 1.00 1.38 C ATOM 1100 CD GLN A 68 17.943 6.331 -10.102 1.00 1.63 C ATOM 1101 OE1 GLN A 68 17.063 6.719 -10.872 1.00 2.16 O ATOM 1102 NE2 GLN A 68 19.062 7.007 -9.906 1.00 2.07 N ATOM 0 H GLN A 68 15.997 1.976 -9.821 1.00 0.61 H new ATOM 0 HA GLN A 68 16.720 3.404 -7.351 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.785 4.665 -9.960 1.00 0.85 H new ATOM 0 HB3 GLN A 68 15.918 5.509 -8.430 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.355 5.101 -8.403 1.00 1.38 H new ATOM 0 HG3 GLN A 68 18.235 4.222 -9.913 1.00 1.38 H new ATOM 0 HE21 GLN A 68 19.766 6.651 -9.259 1.00 2.07 H new ATOM 0 HE22 GLN A 68 19.221 7.884 -10.401 1.00 2.07 H new ATOM 1111 N VAL A 69 14.352 3.111 -6.673 1.00 0.59 N ATOM 1112 CA VAL A 69 12.963 3.005 -6.245 1.00 0.64 C ATOM 1113 C VAL A 69 12.400 4.378 -5.850 1.00 0.64 C ATOM 1114 O VAL A 69 12.890 5.031 -4.926 1.00 0.68 O ATOM 1115 CB VAL A 69 12.803 1.993 -5.078 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.702 2.346 -3.901 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.351 1.906 -4.635 1.00 1.22 C ATOM 0 H VAL A 69 15.030 3.116 -5.911 1.00 0.59 H new ATOM 0 HA VAL A 69 12.389 2.631 -7.093 1.00 0.64 H new ATOM 0 HB VAL A 69 13.112 1.016 -5.448 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.562 1.615 -3.104 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.743 2.337 -4.223 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.445 3.339 -3.532 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.262 1.191 -3.817 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.014 2.886 -4.299 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.734 1.578 -5.472 1.00 1.22 H new ATOM 1127 N ASP A 70 11.396 4.826 -6.594 1.00 0.67 N ATOM 1128 CA ASP A 70 10.706 6.087 -6.310 1.00 0.73 C ATOM 1129 C ASP A 70 9.616 5.878 -5.258 1.00 0.64 C ATOM 1130 O ASP A 70 9.323 4.744 -4.897 1.00 0.56 O ATOM 1131 CB ASP A 70 10.088 6.640 -7.605 1.00 0.84 C ATOM 1132 CG ASP A 70 9.259 7.895 -7.397 1.00 1.38 C ATOM 1133 OD1 ASP A 70 9.844 8.981 -7.231 1.00 2.02 O ATOM 1134 OD2 ASP A 70 8.009 7.793 -7.375 1.00 1.99 O ATOM 0 H ASP A 70 11.035 4.331 -7.409 1.00 0.67 H new ATOM 0 HA ASP A 70 11.429 6.803 -5.919 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.886 6.856 -8.315 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.460 5.871 -8.055 1.00 0.84 H new ATOM 1139 N PHE A 71 9.020 6.962 -4.774 1.00 0.70 N ATOM 1140 CA PHE A 71 7.907 6.882 -3.831 1.00 0.66 C ATOM 1141 C PHE A 71 6.781 6.010 -4.394 1.00 0.55 C ATOM 1142 O PHE A 71 6.207 5.182 -3.688 1.00 0.48 O ATOM 1143 CB PHE A 71 7.343 8.275 -3.542 1.00 0.82 C ATOM 1144 CG PHE A 71 8.305 9.254 -2.926 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.290 9.859 -3.689 1.00 1.92 C ATOM 1146 CD2 PHE A 71 8.201 9.592 -1.586 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.154 10.777 -3.129 1.00 2.17 C ATOM 1148 CE2 PHE A 71 9.066 10.509 -1.020 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.044 11.102 -1.792 1.00 1.76 C ATOM 0 H PHE A 71 9.291 7.914 -5.021 1.00 0.70 H new ATOM 0 HA PHE A 71 8.289 6.440 -2.911 1.00 0.66 H new ATOM 0 HB2 PHE A 71 6.972 8.697 -4.476 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.486 8.169 -2.877 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.383 9.609 -4.736 1.00 1.92 H new ATOM 0 HD2 PHE A 71 7.435 9.134 -0.977 1.00 1.50 H new ATOM 0 HE1 PHE A 71 10.917 11.241 -3.737 1.00 2.17 H new ATOM 0 HE2 PHE A 71 8.977 10.761 0.026 1.00 1.76 H new ATOM 0 HZ PHE A 71 10.721 11.818 -1.351 1.00 1.76 H new ATOM 1159 N GLN A 72 6.473 6.207 -5.674 1.00 0.59 N ATOM 1160 CA GLN A 72 5.400 5.472 -6.342 1.00 0.56 C ATOM 1161 C GLN A 72 5.779 4.009 -6.514 1.00 0.49 C ATOM 1162 O GLN A 72 4.942 3.111 -6.428 1.00 0.47 O ATOM 1163 CB GLN A 72 5.116 6.086 -7.714 1.00 0.69 C ATOM 1164 CG GLN A 72 4.160 5.263 -8.560 1.00 0.74 C ATOM 1165 CD GLN A 72 4.063 5.759 -9.988 1.00 1.08 C ATOM 1166 OE1 GLN A 72 4.824 5.336 -10.857 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.112 6.642 -10.246 1.00 1.66 N ATOM 0 H GLN A 72 6.956 6.876 -6.274 1.00 0.59 H new ATOM 0 HA GLN A 72 4.506 5.537 -5.722 1.00 0.56 H new ATOM 0 HB2 GLN A 72 4.700 7.084 -7.577 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.056 6.203 -8.253 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.488 4.223 -8.563 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.170 5.284 -8.105 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.501 6.968 -9.497 1.00 1.66 H new ATOM 0 HE22 GLN A 72 2.989 6.997 -11.194 1.00 1.66 H new ATOM 1176 N GLU A 73 7.044 3.781 -6.760 1.00 0.49 N ATOM 1177 CA GLU A 73 7.555 2.440 -6.950 1.00 0.46 C ATOM 1178 C GLU A 73 7.690 1.743 -5.605 1.00 0.36 C ATOM 1179 O GLU A 73 7.534 0.530 -5.501 1.00 0.32 O ATOM 1180 CB GLU A 73 8.871 2.529 -7.704 1.00 0.56 C ATOM 1181 CG GLU A 73 8.704 3.305 -9.001 1.00 0.78 C ATOM 1182 CD GLU A 73 9.999 3.567 -9.723 1.00 1.15 C ATOM 1183 OE1 GLU A 73 11.017 3.801 -9.052 1.00 1.82 O ATOM 1184 OE2 GLU A 73 9.994 3.564 -10.971 1.00 1.99 O ATOM 0 H GLU A 73 7.749 4.514 -6.835 1.00 0.49 H new ATOM 0 HA GLU A 73 6.867 1.838 -7.544 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.620 3.015 -7.079 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.239 1.526 -7.921 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.036 2.752 -9.661 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.221 4.258 -8.784 1.00 0.78 H new ATOM 1191 N PHE A 74 7.937 2.525 -4.568 1.00 0.37 N ATOM 1192 CA PHE A 74 7.866 2.032 -3.206 1.00 0.34 C ATOM 1193 C PHE A 74 6.418 1.718 -2.862 1.00 0.32 C ATOM 1194 O PHE A 74 6.131 0.823 -2.074 1.00 0.33 O ATOM 1195 CB PHE A 74 8.430 3.061 -2.228 1.00 0.43 C ATOM 1196 CG PHE A 74 8.459 2.580 -0.804 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.448 1.713 -0.372 1.00 1.44 C ATOM 1198 CD2 PHE A 74 7.492 2.992 0.100 1.00 1.31 C ATOM 1199 CE1 PHE A 74 9.474 1.267 0.935 1.00 1.92 C ATOM 1200 CE2 PHE A 74 7.514 2.549 1.408 1.00 1.77 C ATOM 1201 CZ PHE A 74 8.506 1.685 1.827 1.00 1.89 C ATOM 0 H PHE A 74 8.190 3.510 -4.646 1.00 0.37 H new ATOM 0 HA PHE A 74 8.466 1.125 -3.124 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.442 3.326 -2.535 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.832 3.970 -2.284 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.208 1.382 -1.065 1.00 1.44 H new ATOM 0 HD2 PHE A 74 6.713 3.667 -0.222 1.00 1.31 H new ATOM 0 HE1 PHE A 74 10.251 0.591 1.259 1.00 1.92 H new ATOM 0 HE2 PHE A 74 6.756 2.878 2.103 1.00 1.77 H new ATOM 0 HZ PHE A 74 8.525 1.337 2.849 1.00 1.89 H new ATOM 1211 N ILE A 75 5.511 2.451 -3.491 1.00 0.33 N ATOM 1212 CA ILE A 75 4.091 2.181 -3.368 1.00 0.35 C ATOM 1213 C ILE A 75 3.798 0.817 -3.978 1.00 0.34 C ATOM 1214 O ILE A 75 2.986 0.045 -3.465 1.00 0.36 O ATOM 1215 CB ILE A 75 3.256 3.288 -4.059 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.827 4.349 -3.049 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.049 2.712 -4.777 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.322 5.610 -3.703 1.00 0.67 C ATOM 0 H ILE A 75 5.738 3.241 -4.095 1.00 0.33 H new ATOM 0 HA ILE A 75 3.811 2.176 -2.315 1.00 0.35 H new ATOM 0 HB ILE A 75 3.891 3.759 -4.809 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.046 3.939 -2.409 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.672 4.593 -2.405 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.488 3.518 -5.249 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.381 2.006 -5.538 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.410 2.197 -4.059 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.032 6.327 -2.935 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.110 6.040 -4.322 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.459 5.376 -4.326 1.00 0.67 H new ATOM 1230 N SER A 76 4.503 0.519 -5.061 1.00 0.34 N ATOM 1231 CA SER A 76 4.419 -0.783 -5.685 1.00 0.36 C ATOM 1232 C SER A 76 5.003 -1.841 -4.752 1.00 0.31 C ATOM 1233 O SER A 76 4.499 -2.948 -4.672 1.00 0.33 O ATOM 1234 CB SER A 76 5.148 -0.778 -7.028 1.00 0.45 C ATOM 1235 OG SER A 76 4.638 0.236 -7.881 1.00 0.74 O ATOM 0 H SER A 76 5.140 1.168 -5.523 1.00 0.34 H new ATOM 0 HA SER A 76 3.372 -1.023 -5.872 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.214 -0.620 -6.866 1.00 0.45 H new ATOM 0 HB3 SER A 76 5.039 -1.750 -7.508 1.00 0.45 H new ATOM 0 HG SER A 76 5.121 0.220 -8.733 1.00 0.74 H new ATOM 1241 N LEU A 77 6.058 -1.484 -4.030 1.00 0.28 N ATOM 1242 CA LEU A 77 6.642 -2.374 -3.028 1.00 0.26 C ATOM 1243 C LEU A 77 5.583 -2.755 -1.999 1.00 0.23 C ATOM 1244 O LEU A 77 5.440 -3.924 -1.643 1.00 0.23 O ATOM 1245 CB LEU A 77 7.856 -1.684 -2.366 1.00 0.30 C ATOM 1246 CG LEU A 77 8.525 -2.396 -1.172 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.771 -2.141 0.128 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.651 -3.887 -1.429 1.00 1.15 C ATOM 0 H LEU A 77 6.529 -0.584 -4.118 1.00 0.28 H new ATOM 0 HA LEU A 77 6.993 -3.290 -3.503 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.615 -1.532 -3.134 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.539 -0.696 -2.032 1.00 0.30 H new ATOM 0 HG LEU A 77 9.526 -1.978 -1.065 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.272 -2.658 0.946 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.751 -1.071 0.333 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.750 -2.511 0.035 1.00 1.11 H new ATOM 0 HD21 LEU A 77 9.126 -4.365 -0.572 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.660 -4.315 -1.580 1.00 1.15 H new ATOM 0 HD23 LEU A 77 9.258 -4.053 -2.319 1.00 1.15 H new ATOM 1260 N VAL A 78 4.826 -1.765 -1.544 1.00 0.24 N ATOM 1261 CA VAL A 78 3.763 -2.009 -0.583 1.00 0.25 C ATOM 1262 C VAL A 78 2.670 -2.842 -1.224 1.00 0.27 C ATOM 1263 O VAL A 78 1.997 -3.603 -0.555 1.00 0.28 O ATOM 1264 CB VAL A 78 3.143 -0.706 -0.057 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.258 -0.990 1.143 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.227 0.301 0.289 1.00 0.31 C ATOM 0 H VAL A 78 4.929 -0.790 -1.825 1.00 0.24 H new ATOM 0 HA VAL A 78 4.209 -2.539 0.258 1.00 0.25 H new ATOM 0 HB VAL A 78 2.523 -0.273 -0.842 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.825 -0.057 1.505 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.459 -1.672 0.852 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.853 -1.445 1.935 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.768 1.217 0.660 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.878 -0.115 1.058 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.814 0.524 -0.602 1.00 0.31 H new ATOM 1276 N ALA A 79 2.501 -2.686 -2.525 1.00 0.31 N ATOM 1277 CA ALA A 79 1.561 -3.502 -3.274 1.00 0.35 C ATOM 1278 C ALA A 79 1.958 -4.972 -3.188 1.00 0.33 C ATOM 1279 O ALA A 79 1.142 -5.838 -2.873 1.00 0.33 O ATOM 1280 CB ALA A 79 1.518 -3.046 -4.722 1.00 0.43 C ATOM 0 H ALA A 79 3.004 -1.999 -3.087 1.00 0.31 H new ATOM 0 HA ALA A 79 0.567 -3.387 -2.843 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.811 -3.663 -5.277 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.203 -2.004 -4.766 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.510 -3.144 -5.164 1.00 0.43 H new ATOM 1286 N ILE A 80 3.232 -5.234 -3.454 1.00 0.32 N ATOM 1287 CA ILE A 80 3.804 -6.573 -3.340 1.00 0.32 C ATOM 1288 C ILE A 80 3.670 -7.085 -1.909 1.00 0.28 C ATOM 1289 O ILE A 80 3.419 -8.265 -1.680 1.00 0.31 O ATOM 1290 CB ILE A 80 5.304 -6.575 -3.755 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.478 -6.564 -5.283 1.00 0.38 C ATOM 1292 CG2 ILE A 80 6.032 -7.778 -3.169 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.769 -5.438 -6.005 1.00 0.40 C ATOM 0 H ILE A 80 3.900 -4.524 -3.755 1.00 0.32 H new ATOM 0 HA ILE A 80 3.254 -7.231 -4.013 1.00 0.32 H new ATOM 0 HB ILE A 80 5.740 -5.660 -3.354 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.542 -6.507 -5.511 1.00 0.38 H new ATOM 0 HG13 ILE A 80 5.117 -7.513 -5.680 1.00 0.38 H new ATOM 0 HG21 ILE A 80 7.078 -7.755 -3.475 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.971 -7.746 -2.081 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.569 -8.696 -3.531 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.954 -5.519 -7.076 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.697 -5.502 -5.816 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.145 -4.481 -5.644 1.00 0.40 H new ATOM 1305 N ALA A 81 3.816 -6.181 -0.957 1.00 0.23 N ATOM 1306 CA ALA A 81 3.790 -6.531 0.453 1.00 0.23 C ATOM 1307 C ALA A 81 2.364 -6.772 0.958 1.00 0.23 C ATOM 1308 O ALA A 81 2.127 -7.641 1.796 1.00 0.28 O ATOM 1309 CB ALA A 81 4.481 -5.441 1.245 1.00 0.24 C ATOM 0 H ALA A 81 3.955 -5.187 -1.138 1.00 0.23 H new ATOM 0 HA ALA A 81 4.324 -7.471 0.591 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.466 -5.696 2.305 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.514 -5.346 0.909 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.962 -4.495 1.092 1.00 0.24 H new ATOM 1315 N LEU A 82 1.415 -6.006 0.442 1.00 0.22 N ATOM 1316 CA LEU A 82 0.006 -6.228 0.737 1.00 0.23 C ATOM 1317 C LEU A 82 -0.441 -7.517 0.074 1.00 0.24 C ATOM 1318 O LEU A 82 -1.314 -8.234 0.568 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.847 -5.063 0.233 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.586 -3.711 0.899 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.450 -2.644 0.267 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.848 -3.783 2.392 1.00 0.31 C ATOM 0 H LEU A 82 1.595 -5.222 -0.185 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.122 -6.300 1.817 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.685 -4.956 -0.840 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.897 -5.319 0.373 1.00 0.25 H new ATOM 0 HG LEU A 82 0.462 -3.453 0.750 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.256 -1.686 0.749 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.217 -2.570 -0.795 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.501 -2.906 0.391 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.655 -2.809 2.843 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.887 -4.064 2.566 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.190 -4.527 2.841 1.00 0.31 H new ATOM 1334 N LYS A 83 0.171 -7.803 -1.064 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.041 -9.057 -1.749 1.00 0.33 C ATOM 1336 C LYS A 83 0.696 -10.187 -1.038 1.00 0.31 C ATOM 1337 O LYS A 83 0.369 -11.348 -1.209 1.00 0.44 O ATOM 1338 CB LYS A 83 0.382 -8.951 -3.207 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.806 -8.731 -4.108 1.00 0.66 C ATOM 1340 CD LYS A 83 -0.636 -9.353 -5.472 1.00 1.04 C ATOM 1341 CE LYS A 83 -1.998 -9.725 -6.013 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.010 -9.876 -7.491 1.00 1.67 N ATOM 0 H LYS A 83 0.823 -7.174 -1.532 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.106 -9.288 -1.728 1.00 0.33 H new ATOM 0 HB2 LYS A 83 1.087 -8.128 -3.324 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.902 -9.862 -3.504 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.696 -9.146 -3.634 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.975 -7.660 -4.222 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -0.141 -8.654 -6.146 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.002 -10.237 -5.407 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.323 -10.659 -5.555 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -2.719 -8.960 -5.725 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -2.968 -10.131 -7.806 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -1.727 -8.979 -7.934 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -1.343 -10.624 -7.769 1.00 1.67 H new ATOM 1356 N ALA A 84 1.688 -9.844 -0.238 1.00 0.31 N ATOM 1357 CA ALA A 84 2.334 -10.824 0.621 1.00 0.35 C ATOM 1358 C ALA A 84 1.375 -11.247 1.719 1.00 0.33 C ATOM 1359 O ALA A 84 1.390 -12.385 2.181 1.00 0.40 O ATOM 1360 CB ALA A 84 3.614 -10.261 1.212 1.00 0.48 C ATOM 0 H ALA A 84 2.064 -8.899 -0.163 1.00 0.31 H new ATOM 0 HA ALA A 84 2.599 -11.698 0.026 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.080 -11.011 1.851 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.299 -9.993 0.408 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.383 -9.374 1.802 1.00 0.48 H new ATOM 1366 N ALA A 85 0.524 -10.317 2.122 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.481 -10.596 3.128 1.00 0.38 C ATOM 1368 C ALA A 85 -1.689 -11.324 2.530 1.00 0.44 C ATOM 1369 O ALA A 85 -2.034 -12.419 2.967 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.907 -9.311 3.816 1.00 0.43 C ATOM 0 H ALA A 85 0.512 -9.361 1.765 1.00 0.30 H new ATOM 0 HA ALA A 85 -0.039 -11.259 3.871 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -1.662 -9.535 4.569 1.00 0.43 H new ATOM 0 HB2 ALA A 85 -0.043 -8.851 4.294 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -1.322 -8.624 3.079 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.330 -10.732 1.522 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.553 -11.318 0.976 1.00 0.59 C ATOM 1378 C HIS A 86 -3.246 -12.430 -0.035 1.00 0.63 C ATOM 1379 O HIS A 86 -3.835 -13.501 0.007 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.463 -10.229 0.360 1.00 0.69 C ATOM 1381 CG HIS A 86 -4.213 -9.879 -1.078 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -4.646 -10.660 -2.129 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -3.610 -8.806 -1.637 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -4.316 -10.086 -3.265 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -3.689 -8.955 -3.001 1.00 2.68 N ATOM 0 H HIS A 86 -2.031 -9.865 1.075 1.00 0.44 H new ATOM 0 HA HIS A 86 -4.095 -11.777 1.803 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -5.498 -10.556 0.456 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.359 -9.321 0.955 1.00 0.69 H new ATOM 0 HD1 HIS A 86 -5.145 -11.545 -2.039 1.00 2.06 H new ATOM 0 HD2 HIS A 86 -3.151 -7.983 -1.109 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -4.524 -10.475 -4.251 1.00 2.66 H new ATOM 1394 N TYR A 87 -2.290 -12.172 -0.910 1.00 0.58 N ATOM 1395 CA TYR A 87 -1.913 -13.099 -1.979 1.00 0.65 C ATOM 1396 C TYR A 87 -0.833 -14.059 -1.476 1.00 0.62 C ATOM 1397 O TYR A 87 -0.010 -14.540 -2.252 1.00 0.66 O ATOM 1398 CB TYR A 87 -1.450 -12.334 -3.225 1.00 0.69 C ATOM 1399 CG TYR A 87 -1.342 -13.183 -4.475 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -2.412 -13.952 -4.912 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -0.166 -13.213 -5.213 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -2.314 -14.726 -6.052 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -0.062 -13.984 -6.354 1.00 1.80 C ATOM 1404 CZ TYR A 87 -1.138 -14.737 -6.770 1.00 1.29 C ATOM 1405 OH TYR A 87 -1.032 -15.511 -7.906 1.00 1.52 O ATOM 0 H TYR A 87 -1.746 -11.309 -0.904 1.00 0.58 H new ATOM 0 HA TYR A 87 -2.786 -13.686 -2.266 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.146 -11.517 -3.414 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -0.478 -11.884 -3.020 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -3.335 -13.945 -4.352 1.00 1.44 H new ATOM 0 HD2 TYR A 87 0.680 -12.625 -4.890 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -3.155 -15.320 -6.379 1.00 1.55 H new ATOM 0 HE2 TYR A 87 0.859 -13.997 -6.918 1.00 1.80 H new ATOM 0 HH TYR A 87 -0.138 -15.403 -8.293 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.792 -14.205 -0.149 1.00 0.59 N ATOM 1416 CA HIS A 88 0.191 -15.018 0.602 1.00 0.62 C ATOM 1417 C HIS A 88 0.414 -16.459 0.079 1.00 0.69 C ATOM 1418 O HIS A 88 0.922 -17.303 0.808 1.00 0.75 O ATOM 1419 CB HIS A 88 -0.247 -15.087 2.077 1.00 0.65 C ATOM 1420 CG HIS A 88 -1.585 -15.730 2.309 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -2.703 -15.020 2.694 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -1.977 -17.026 2.232 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -3.719 -15.849 2.842 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -3.306 -17.069 2.567 1.00 3.26 N ATOM 0 H HIS A 88 -1.466 -13.745 0.463 1.00 0.59 H new ATOM 0 HA HIS A 88 1.147 -14.512 0.468 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.507 -15.637 2.640 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.271 -14.075 2.482 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -2.739 -14.011 2.841 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -1.358 -17.867 1.958 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -4.720 -15.574 3.139 1.00 3.25 H new ATOM 1433 N THR A 89 0.039 -16.747 -1.153 1.00 0.73 N ATOM 1434 CA THR A 89 0.263 -18.059 -1.733 1.00 0.81 C ATOM 1435 C THR A 89 1.742 -18.247 -2.100 1.00 0.72 C ATOM 1436 O THR A 89 2.301 -19.324 -1.902 1.00 1.05 O ATOM 1437 CB THR A 89 -0.637 -18.283 -2.975 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.344 -19.539 -3.600 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.475 -17.163 -3.991 1.00 0.89 C ATOM 0 H THR A 89 -0.425 -16.086 -1.775 1.00 0.73 H new ATOM 0 HA THR A 89 -0.004 -18.804 -0.983 1.00 0.81 H new ATOM 0 HB THR A 89 -1.669 -18.288 -2.624 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.432 -19.438 -4.189 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.121 -17.353 -4.848 1.00 0.89 H new ATOM 0 HG22 THR A 89 -0.751 -16.213 -3.533 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.563 -17.119 -4.321 1.00 0.89 H new ATOM 1447 N HIS A 90 2.380 -17.193 -2.615 1.00 0.65 N ATOM 1448 CA HIS A 90 3.791 -17.271 -3.007 1.00 0.64 C ATOM 1449 C HIS A 90 4.537 -15.993 -2.664 1.00 0.93 C ATOM 1450 O HIS A 90 5.688 -15.806 -3.060 1.00 1.77 O ATOM 1451 CB HIS A 90 3.927 -17.578 -4.504 1.00 0.91 C ATOM 1452 CG HIS A 90 3.499 -18.966 -4.874 1.00 1.72 C ATOM 1453 ND1 HIS A 90 2.420 -19.232 -5.687 1.00 2.44 N ATOM 1454 CD2 HIS A 90 4.010 -20.171 -4.527 1.00 2.68 C ATOM 1455 CE1 HIS A 90 2.283 -20.536 -5.822 1.00 3.33 C ATOM 1456 NE2 HIS A 90 3.234 -21.130 -5.128 1.00 3.47 N ATOM 0 H HIS A 90 1.947 -16.282 -2.770 1.00 0.65 H new ATOM 0 HA HIS A 90 4.240 -18.087 -2.440 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.332 -16.861 -5.069 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.966 -17.435 -4.803 1.00 0.91 H new ATOM 0 HD2 HIS A 90 4.868 -20.345 -3.895 1.00 2.68 H new ATOM 0 HE1 HIS A 90 1.521 -21.034 -6.403 1.00 3.33 H new ATOM 0 HE2 HIS A 90 3.371 -22.138 -5.051 1.00 3.47 H new ATOM 1465 N LYS A 91 3.882 -15.116 -1.924 1.00 0.91 N ATOM 1466 CA LYS A 91 4.544 -13.942 -1.385 1.00 1.63 C ATOM 1467 C LYS A 91 4.606 -14.057 0.131 1.00 2.59 C ATOM 1468 O LYS A 91 4.955 -13.109 0.829 1.00 3.47 O ATOM 1469 CB LYS A 91 3.829 -12.658 -1.818 1.00 1.09 C ATOM 1470 CG LYS A 91 3.979 -12.358 -3.301 1.00 1.28 C ATOM 1471 CD LYS A 91 3.267 -11.074 -3.699 1.00 0.87 C ATOM 1472 CE LYS A 91 3.325 -10.852 -5.201 1.00 0.78 C ATOM 1473 NZ LYS A 91 4.723 -10.790 -5.706 1.00 1.28 N ATOM 0 H LYS A 91 2.894 -15.194 -1.683 1.00 0.91 H new ATOM 0 HA LYS A 91 5.559 -13.889 -1.779 1.00 1.63 H new ATOM 0 HB2 LYS A 91 2.769 -12.741 -1.576 1.00 1.09 H new ATOM 0 HB3 LYS A 91 4.222 -11.820 -1.243 1.00 1.09 H new ATOM 0 HG2 LYS A 91 5.037 -12.277 -3.549 1.00 1.28 H new ATOM 0 HG3 LYS A 91 3.578 -13.189 -3.881 1.00 1.28 H new ATOM 0 HD2 LYS A 91 2.227 -11.117 -3.376 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.725 -10.228 -3.186 1.00 0.87 H new ATOM 0 HE2 LYS A 91 2.793 -11.658 -5.707 1.00 0.78 H new ATOM 0 HE3 LYS A 91 2.809 -9.925 -5.450 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 4.728 -10.391 -6.666 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 5.293 -10.188 -5.078 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 5.127 -11.748 -5.727 1.00 1.28 H new ATOM 1487 N GLU A 92 4.286 -15.253 0.614 1.00 2.69 N ATOM 1488 CA GLU A 92 4.333 -15.575 2.034 1.00 3.81 C ATOM 1489 C GLU A 92 4.396 -17.093 2.174 1.00 4.36 C ATOM 1490 O GLU A 92 3.340 -17.725 2.366 1.00 4.92 O ATOM 1491 CB GLU A 92 3.098 -15.017 2.751 1.00 4.66 C ATOM 1492 CG GLU A 92 3.277 -14.756 4.246 1.00 5.75 C ATOM 1493 CD GLU A 92 3.424 -16.018 5.078 1.00 6.58 C ATOM 1494 OE1 GLU A 92 2.391 -16.608 5.463 1.00 7.00 O ATOM 1495 OE2 GLU A 92 4.574 -16.421 5.364 1.00 7.09 O ATOM 1496 OXT GLU A 92 5.500 -17.657 2.043 1.00 4.64 O ATOM 0 H GLU A 92 3.985 -16.031 0.026 1.00 2.69 H new ATOM 0 HA GLU A 92 5.212 -15.122 2.492 1.00 3.81 H new ATOM 0 HB2 GLU A 92 2.807 -14.084 2.268 1.00 4.66 H new ATOM 0 HB3 GLU A 92 2.273 -15.716 2.617 1.00 4.66 H new ATOM 0 HG2 GLU A 92 4.158 -14.131 4.393 1.00 5.75 H new ATOM 0 HG3 GLU A 92 2.420 -14.190 4.611 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 7.819 2.827 14.108 1.00 4.70 N ATOM 1505 CA MET B 1 7.979 2.631 12.647 1.00 4.22 C ATOM 1506 C MET B 1 7.237 1.382 12.189 1.00 3.60 C ATOM 1507 O MET B 1 6.368 1.449 11.324 1.00 4.04 O ATOM 1508 CB MET B 1 9.460 2.525 12.264 1.00 4.51 C ATOM 1509 CG MET B 1 10.238 3.827 12.394 1.00 5.00 C ATOM 1510 SD MET B 1 10.363 4.410 14.096 1.00 5.79 S ATOM 1511 CE MET B 1 11.324 5.905 13.867 1.00 6.42 C ATOM 0 H1 MET B 1 8.487 3.554 14.436 1.00 4.70 H new ATOM 0 H2 MET B 1 6.846 3.133 14.313 1.00 4.70 H new ATOM 0 H3 MET B 1 8.011 1.932 14.601 1.00 4.70 H new ATOM 0 HA MET B 1 7.553 3.501 12.147 1.00 4.22 H new ATOM 0 HB2 MET B 1 9.932 1.770 12.892 1.00 4.51 H new ATOM 0 HB3 MET B 1 9.532 2.174 11.235 1.00 4.51 H new ATOM 0 HG2 MET B 1 11.241 3.686 11.990 1.00 5.00 H new ATOM 0 HG3 MET B 1 9.755 4.594 11.788 1.00 5.00 H new ATOM 0 HE1 MET B 1 11.487 6.384 14.832 1.00 6.42 H new ATOM 0 HE2 MET B 1 12.286 5.654 13.419 1.00 6.42 H new ATOM 0 HE3 MET B 1 10.785 6.587 13.210 1.00 6.42 H new ATOM 1523 N THR B 2 7.581 0.239 12.768 1.00 3.07 N ATOM 1524 CA THR B 2 6.919 -1.007 12.429 1.00 2.91 C ATOM 1525 C THR B 2 6.889 -1.929 13.643 1.00 2.45 C ATOM 1526 O THR B 2 7.601 -1.709 14.623 1.00 3.04 O ATOM 1527 CB THR B 2 7.619 -1.723 11.249 1.00 3.67 C ATOM 1528 OG1 THR B 2 6.794 -2.788 10.753 1.00 4.26 O ATOM 1529 CG2 THR B 2 8.964 -2.288 11.674 1.00 4.23 C ATOM 0 H THR B 2 8.313 0.152 13.473 1.00 3.07 H new ATOM 0 HA THR B 2 5.901 -0.768 12.123 1.00 2.91 H new ATOM 0 HB THR B 2 7.779 -0.987 10.461 1.00 3.67 H new ATOM 0 HG1 THR B 2 7.247 -3.232 10.006 1.00 4.26 H new ATOM 0 HG21 THR B 2 9.434 -2.786 10.826 1.00 4.23 H new ATOM 0 HG22 THR B 2 9.606 -1.478 12.021 1.00 4.23 H new ATOM 0 HG23 THR B 2 8.818 -3.006 12.481 1.00 4.23 H new ATOM 1537 N LYS B 3 6.059 -2.954 13.571 1.00 2.16 N ATOM 1538 CA LYS B 3 5.893 -3.881 14.678 1.00 2.53 C ATOM 1539 C LYS B 3 6.236 -5.294 14.230 1.00 2.08 C ATOM 1540 O LYS B 3 7.086 -5.957 14.821 1.00 2.81 O ATOM 1541 CB LYS B 3 4.455 -3.826 15.203 1.00 3.53 C ATOM 1542 CG LYS B 3 4.020 -2.434 15.645 1.00 4.29 C ATOM 1543 CD LYS B 3 2.597 -2.422 16.189 1.00 5.37 C ATOM 1544 CE LYS B 3 2.537 -2.774 17.672 1.00 5.97 C ATOM 1545 NZ LYS B 3 3.038 -4.145 17.965 1.00 6.04 N ATOM 0 H LYS B 3 5.487 -3.167 12.754 1.00 2.16 H new ATOM 0 HA LYS B 3 6.569 -3.593 15.483 1.00 2.53 H new ATOM 0 HB2 LYS B 3 3.779 -4.179 14.424 1.00 3.53 H new ATOM 0 HB3 LYS B 3 4.358 -4.512 16.044 1.00 3.53 H new ATOM 0 HG2 LYS B 3 4.703 -2.068 16.411 1.00 4.29 H new ATOM 0 HG3 LYS B 3 4.090 -1.748 14.801 1.00 4.29 H new ATOM 0 HD2 LYS B 3 2.161 -1.435 16.035 1.00 5.37 H new ATOM 0 HD3 LYS B 3 1.990 -3.131 15.626 1.00 5.37 H new ATOM 0 HE2 LYS B 3 3.125 -2.050 18.236 1.00 5.97 H new ATOM 0 HE3 LYS B 3 1.507 -2.687 18.019 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 2.647 -4.471 18.872 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 2.741 -4.792 17.207 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 4.076 -4.131 18.021 1.00 6.04 H new ATOM 1559 N LEU B 4 5.571 -5.740 13.174 1.00 1.61 N ATOM 1560 CA LEU B 4 5.813 -7.060 12.611 1.00 1.98 C ATOM 1561 C LEU B 4 5.183 -7.148 11.226 1.00 1.51 C ATOM 1562 O LEU B 4 5.876 -7.300 10.222 1.00 2.03 O ATOM 1563 CB LEU B 4 5.237 -8.147 13.525 1.00 3.02 C ATOM 1564 CG LEU B 4 5.601 -9.583 13.146 1.00 3.80 C ATOM 1565 CD1 LEU B 4 7.095 -9.820 13.319 1.00 4.50 C ATOM 1566 CD2 LEU B 4 4.802 -10.568 13.981 1.00 4.44 C ATOM 0 H LEU B 4 4.854 -5.202 12.687 1.00 1.61 H new ATOM 0 HA LEU B 4 6.888 -7.218 12.527 1.00 1.98 H new ATOM 0 HB2 LEU B 4 5.578 -7.960 14.543 1.00 3.02 H new ATOM 0 HB3 LEU B 4 4.151 -8.055 13.531 1.00 3.02 H new ATOM 0 HG LEU B 4 5.351 -9.738 12.096 1.00 3.80 H new ATOM 0 HD11 LEU B 4 7.335 -10.847 13.044 1.00 4.50 H new ATOM 0 HD12 LEU B 4 7.649 -9.134 12.678 1.00 4.50 H new ATOM 0 HD13 LEU B 4 7.373 -9.648 14.359 1.00 4.50 H new ATOM 0 HD21 LEU B 4 5.072 -11.586 13.700 1.00 4.44 H new ATOM 0 HD22 LEU B 4 5.023 -10.413 15.037 1.00 4.44 H new ATOM 0 HD23 LEU B 4 3.737 -10.413 13.806 1.00 4.44 H new ATOM 1578 N GLU B 5 3.862 -7.032 11.184 1.00 1.20 N ATOM 1579 CA GLU B 5 3.126 -7.069 9.924 1.00 0.94 C ATOM 1580 C GLU B 5 1.889 -6.171 9.991 1.00 0.69 C ATOM 1581 O GLU B 5 1.119 -6.091 9.038 1.00 0.69 O ATOM 1582 CB GLU B 5 2.719 -8.511 9.609 1.00 1.39 C ATOM 1583 CG GLU B 5 1.947 -9.176 10.737 1.00 1.80 C ATOM 1584 CD GLU B 5 1.655 -10.636 10.472 1.00 2.48 C ATOM 1585 OE1 GLU B 5 0.640 -10.936 9.817 1.00 3.00 O ATOM 1586 OE2 GLU B 5 2.431 -11.497 10.936 1.00 3.10 O ATOM 0 H GLU B 5 3.276 -6.911 12.010 1.00 1.20 H new ATOM 0 HA GLU B 5 3.772 -6.696 9.129 1.00 0.94 H new ATOM 0 HB2 GLU B 5 2.109 -8.520 8.705 1.00 1.39 H new ATOM 0 HB3 GLU B 5 3.614 -9.096 9.396 1.00 1.39 H new ATOM 0 HG2 GLU B 5 2.517 -9.087 11.662 1.00 1.80 H new ATOM 0 HG3 GLU B 5 1.007 -8.645 10.889 1.00 1.80 H new ATOM 1593 N GLU B 6 1.743 -5.469 11.115 1.00 0.68 N ATOM 1594 CA GLU B 6 0.551 -4.664 11.413 1.00 0.67 C ATOM 1595 C GLU B 6 0.210 -3.684 10.285 1.00 0.54 C ATOM 1596 O GLU B 6 -0.956 -3.439 9.995 1.00 0.60 O ATOM 1597 CB GLU B 6 0.781 -3.893 12.718 1.00 0.78 C ATOM 1598 CG GLU B 6 -0.436 -3.823 13.634 1.00 1.06 C ATOM 1599 CD GLU B 6 -1.564 -2.987 13.072 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -1.427 -1.747 13.036 1.00 2.48 O ATOM 1601 OE2 GLU B 6 -2.606 -3.559 12.687 1.00 2.51 O ATOM 0 H GLU B 6 2.450 -5.441 11.850 1.00 0.68 H new ATOM 0 HA GLU B 6 -0.295 -5.344 11.513 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.602 -4.360 13.261 1.00 0.78 H new ATOM 0 HB3 GLU B 6 1.096 -2.878 12.475 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -0.800 -4.833 13.820 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -0.133 -3.411 14.597 1.00 1.06 H new ATOM 1608 N HIS B 7 1.228 -3.132 9.639 1.00 0.42 N ATOM 1609 CA HIS B 7 1.000 -2.141 8.595 1.00 0.38 C ATOM 1610 C HIS B 7 0.387 -2.786 7.359 1.00 0.35 C ATOM 1611 O HIS B 7 -0.732 -2.463 6.977 1.00 0.39 O ATOM 1612 CB HIS B 7 2.301 -1.410 8.238 1.00 0.43 C ATOM 1613 CG HIS B 7 2.687 -0.359 9.235 1.00 0.95 C ATOM 1614 ND1 HIS B 7 3.515 0.698 8.936 1.00 1.73 N ATOM 1615 CD2 HIS B 7 2.344 -0.205 10.536 1.00 1.60 C ATOM 1616 CE1 HIS B 7 3.662 1.454 10.008 1.00 2.16 C ATOM 1617 NE2 HIS B 7 2.960 0.928 10.991 1.00 2.03 N ATOM 0 H HIS B 7 2.209 -3.350 9.816 1.00 0.42 H new ATOM 0 HA HIS B 7 0.294 -1.405 8.980 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.108 -2.138 8.158 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.191 -0.947 7.257 1.00 0.43 H new ATOM 0 HD2 HIS B 7 1.702 -0.857 11.109 1.00 1.60 H new ATOM 0 HE1 HIS B 7 4.258 2.353 10.069 1.00 2.16 H new ATOM 0 HE2 HIS B 7 2.888 1.304 11.936 1.00 2.03 H new ATOM 1626 N LEU B 8 1.118 -3.712 6.758 1.00 0.34 N ATOM 1627 CA LEU B 8 0.669 -4.391 5.547 1.00 0.33 C ATOM 1628 C LEU B 8 -0.544 -5.272 5.816 1.00 0.34 C ATOM 1629 O LEU B 8 -1.609 -5.086 5.224 1.00 0.34 O ATOM 1630 CB LEU B 8 1.810 -5.240 5.019 1.00 0.33 C ATOM 1631 CG LEU B 8 3.112 -4.467 4.819 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.254 -5.413 4.534 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.960 -3.448 3.702 1.00 0.33 C ATOM 0 H LEU B 8 2.033 -4.014 7.091 1.00 0.34 H new ATOM 0 HA LEU B 8 0.375 -3.641 4.813 1.00 0.33 H new ATOM 0 HB2 LEU B 8 1.989 -6.062 5.712 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.512 -5.683 4.069 1.00 0.33 H new ATOM 0 HG LEU B 8 3.340 -3.930 5.740 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.173 -4.843 4.395 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.376 -6.099 5.372 1.00 0.33 H new ATOM 0 HD13 LEU B 8 4.039 -5.981 3.629 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.897 -2.907 3.573 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.707 -3.961 2.774 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.167 -2.745 3.956 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.382 -6.210 6.735 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.415 -7.189 7.027 1.00 0.40 C ATOM 1647 C GLU B 9 -2.629 -6.502 7.643 1.00 0.40 C ATOM 1648 O GLU B 9 -3.753 -6.973 7.505 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.844 -8.268 7.957 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.699 -9.519 8.094 1.00 1.24 C ATOM 1651 CD GLU B 9 -2.768 -9.401 9.162 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -2.549 -8.679 10.153 1.00 2.16 O ATOM 1653 OE2 GLU B 9 -3.827 -10.045 9.015 1.00 2.41 O ATOM 0 H GLU B 9 0.464 -6.314 7.296 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.742 -7.669 6.105 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.141 -8.558 7.590 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.701 -7.834 8.947 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.174 -9.733 7.136 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.055 -10.367 8.327 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.393 -5.365 8.289 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.472 -4.603 8.884 1.00 0.43 C ATOM 1662 C GLY B 10 -4.306 -3.867 7.852 1.00 0.39 C ATOM 1663 O GLY B 10 -5.517 -3.720 8.015 1.00 0.44 O ATOM 0 H GLY B 10 -1.466 -4.957 8.411 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -4.115 -5.274 9.453 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -3.057 -3.884 9.590 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.666 -3.397 6.786 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.390 -2.759 5.691 1.00 0.33 C ATOM 1669 C ILE B 11 -5.199 -3.813 4.937 1.00 0.33 C ATOM 1670 O ILE B 11 -6.327 -3.579 4.505 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.437 -2.024 4.722 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.751 -0.858 5.438 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.195 -1.524 3.501 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.718 -0.144 4.594 1.00 1.16 C ATOM 0 H ILE B 11 -2.655 -3.445 6.657 1.00 0.34 H new ATOM 0 HA ILE B 11 -5.060 -2.011 6.116 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.674 -2.727 4.387 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.509 -0.140 5.752 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.272 -1.231 6.343 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.506 -1.009 2.831 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.644 -2.370 2.980 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.978 -0.834 3.816 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.276 0.669 5.170 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.938 -0.847 4.302 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.194 0.261 3.701 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.615 -4.988 4.813 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.301 -6.128 4.227 1.00 0.38 C ATOM 1688 C VAL B 12 -6.409 -6.617 5.167 1.00 0.40 C ATOM 1689 O VAL B 12 -7.421 -7.171 4.733 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.288 -7.252 3.927 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -4.975 -8.537 3.503 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.323 -6.789 2.849 1.00 0.48 C ATOM 0 H VAL B 12 -3.659 -5.182 5.112 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.765 -5.827 3.288 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.740 -7.468 4.845 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.225 -9.301 3.302 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.635 -8.877 4.301 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.560 -8.356 2.601 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.607 -7.583 2.636 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.878 -6.549 1.942 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.790 -5.903 3.194 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.221 -6.358 6.454 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.177 -6.753 7.479 1.00 0.49 C ATOM 1704 C ASN B 13 -8.448 -5.917 7.387 1.00 0.48 C ATOM 1705 O ASN B 13 -9.551 -6.444 7.514 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.552 -6.608 8.870 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.452 -7.104 9.984 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.241 -8.031 9.800 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.334 -6.494 11.154 1.00 1.42 N ATOM 0 H ASN B 13 -5.403 -5.869 6.816 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.440 -7.798 7.315 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.612 -7.160 8.898 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.312 -5.559 9.046 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.909 -6.789 11.943 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.668 -5.730 11.266 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.300 -4.616 7.155 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.466 -3.748 7.025 1.00 0.57 C ATOM 1718 C ILE B 14 -10.216 -4.043 5.726 1.00 0.53 C ATOM 1719 O ILE B 14 -11.444 -3.920 5.668 1.00 0.61 O ATOM 1720 CB ILE B 14 -9.112 -2.243 7.122 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -8.024 -1.861 6.118 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.677 -1.900 8.539 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.675 -0.386 6.122 1.00 2.06 C ATOM 0 H ILE B 14 -7.401 -4.146 7.055 1.00 0.48 H new ATOM 0 HA ILE B 14 -10.116 -3.971 7.871 1.00 0.57 H new ATOM 0 HB ILE B 14 -10.004 -1.667 6.876 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.125 -2.438 6.335 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.351 -2.144 5.118 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.430 -0.840 8.597 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.488 -2.122 9.232 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -7.801 -2.492 8.804 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -6.896 -0.194 5.384 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -8.561 0.198 5.875 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -7.316 -0.100 7.111 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.485 -4.458 4.690 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.121 -4.967 3.478 1.00 0.59 C ATOM 1737 C PHE B 15 -10.983 -6.170 3.834 1.00 0.61 C ATOM 1738 O PHE B 15 -12.152 -6.260 3.452 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.074 -5.373 2.431 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.667 -5.978 1.183 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -9.980 -7.329 1.125 1.00 1.93 C ATOM 1742 CD2 PHE B 15 -9.918 -5.196 0.070 1.00 1.75 C ATOM 1743 CE1 PHE B 15 -10.531 -7.879 -0.014 1.00 2.54 C ATOM 1744 CE2 PHE B 15 -10.467 -5.744 -1.074 1.00 2.35 C ATOM 1745 CZ PHE B 15 -10.775 -7.087 -1.116 1.00 2.58 C ATOM 0 H PHE B 15 -8.465 -4.452 4.667 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.738 -4.177 3.051 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.489 -4.495 2.156 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.384 -6.089 2.879 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -9.790 -7.958 1.982 1.00 1.93 H new ATOM 0 HD2 PHE B 15 -9.682 -4.142 0.095 1.00 1.75 H new ATOM 0 HE1 PHE B 15 -10.772 -8.931 -0.043 1.00 2.54 H new ATOM 0 HE2 PHE B 15 -10.655 -5.120 -1.935 1.00 2.35 H new ATOM 0 HZ PHE B 15 -11.206 -7.517 -2.008 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.385 -7.080 4.589 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.051 -8.294 5.037 1.00 0.72 C ATOM 1757 C HIS B 16 -12.243 -7.958 5.937 1.00 0.75 C ATOM 1758 O HIS B 16 -13.176 -8.749 6.069 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.037 -9.171 5.782 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.533 -10.537 6.140 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.498 -11.601 5.267 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.052 -11.016 7.293 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -10.976 -12.673 5.866 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -11.317 -12.347 7.097 1.00 2.23 N ATOM 0 H HIS B 16 -9.420 -6.997 4.909 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.435 -8.837 4.173 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.144 -9.274 5.165 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.736 -8.658 6.695 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.225 -10.455 8.199 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.072 -13.653 5.423 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -11.713 -12.981 7.790 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.206 -6.774 6.538 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.278 -6.316 7.412 1.00 0.82 C ATOM 1775 C GLN B 17 -14.562 -6.070 6.623 1.00 0.93 C ATOM 1776 O GLN B 17 -15.599 -6.668 6.917 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.861 -5.042 8.150 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.930 -4.497 9.087 1.00 1.27 C ATOM 1779 CD GLN B 17 -14.237 -5.434 10.236 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -15.103 -6.302 10.135 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -13.537 -5.253 11.344 1.00 2.77 N ATOM 0 H GLN B 17 -11.439 -6.110 6.434 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.471 -7.100 8.144 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.957 -5.245 8.724 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.608 -4.275 7.418 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.602 -3.537 9.485 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -14.843 -4.313 8.521 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -12.828 -4.521 11.385 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -13.707 -5.845 12.157 1.00 2.77 H new ATOM 1790 N TYR B 18 -14.504 -5.199 5.615 1.00 0.85 N ATOM 1791 CA TYR B 18 -15.703 -4.893 4.839 1.00 1.08 C ATOM 1792 C TYR B 18 -16.031 -6.012 3.845 1.00 1.34 C ATOM 1793 O TYR B 18 -17.030 -5.947 3.129 1.00 1.77 O ATOM 1794 CB TYR B 18 -15.593 -3.534 4.125 1.00 1.22 C ATOM 1795 CG TYR B 18 -14.684 -3.493 2.911 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -15.166 -3.818 1.649 1.00 3.25 C ATOM 1797 CD2 TYR B 18 -13.362 -3.091 3.017 1.00 3.14 C ATOM 1798 CE1 TYR B 18 -14.358 -3.746 0.534 1.00 4.48 C ATOM 1799 CE2 TYR B 18 -12.545 -3.024 1.903 1.00 4.38 C ATOM 1800 CZ TYR B 18 -13.051 -3.349 0.666 1.00 4.93 C ATOM 1801 OH TYR B 18 -12.249 -3.269 -0.447 1.00 6.25 O ATOM 0 H TYR B 18 -13.661 -4.704 5.323 1.00 0.85 H new ATOM 0 HA TYR B 18 -16.529 -4.824 5.547 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -16.592 -3.226 3.817 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -15.239 -2.795 4.844 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -16.193 -4.133 1.539 1.00 3.25 H new ATOM 0 HD2 TYR B 18 -12.963 -2.826 3.985 1.00 3.14 H new ATOM 0 HE1 TYR B 18 -14.752 -4.001 -0.439 1.00 4.48 H new ATOM 0 HE2 TYR B 18 -11.514 -2.718 2.004 1.00 4.38 H new ATOM 0 HH TYR B 18 -11.646 -4.041 -0.472 1.00 6.25 H new ATOM 1811 N SER B 19 -15.202 -7.047 3.821 1.00 1.32 N ATOM 1812 CA SER B 19 -15.450 -8.207 2.974 1.00 1.78 C ATOM 1813 C SER B 19 -16.362 -9.210 3.683 1.00 1.86 C ATOM 1814 O SER B 19 -16.043 -10.400 3.779 1.00 2.32 O ATOM 1815 CB SER B 19 -14.130 -8.873 2.585 1.00 2.38 C ATOM 1816 OG SER B 19 -13.340 -8.005 1.791 1.00 3.02 O ATOM 0 H SER B 19 -14.350 -7.107 4.379 1.00 1.32 H new ATOM 0 HA SER B 19 -15.952 -7.868 2.068 1.00 1.78 H new ATOM 0 HB2 SER B 19 -13.580 -9.151 3.484 1.00 2.38 H new ATOM 0 HB3 SER B 19 -14.330 -9.793 2.036 1.00 2.38 H new ATOM 0 HG SER B 19 -12.818 -7.414 2.373 1.00 3.02 H new ATOM 1822 N VAL B 20 -17.498 -8.706 4.169 1.00 2.11 N ATOM 1823 CA VAL B 20 -18.488 -9.504 4.894 1.00 2.49 C ATOM 1824 C VAL B 20 -17.956 -9.934 6.263 1.00 2.64 C ATOM 1825 O VAL B 20 -18.377 -9.403 7.293 1.00 3.25 O ATOM 1826 CB VAL B 20 -18.945 -10.747 4.092 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -19.984 -11.538 4.870 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -19.499 -10.333 2.736 1.00 4.12 C ATOM 0 H VAL B 20 -17.759 -7.725 4.070 1.00 2.11 H new ATOM 0 HA VAL B 20 -19.357 -8.862 5.036 1.00 2.49 H new ATOM 0 HB VAL B 20 -18.077 -11.387 3.932 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -20.291 -12.407 4.288 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -19.556 -11.868 5.817 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -20.851 -10.907 5.064 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -19.815 -11.219 2.186 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -20.353 -9.671 2.879 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -18.726 -9.812 2.171 1.00 4.12 H new ATOM 1838 N ARG B 21 -17.023 -10.878 6.268 1.00 2.81 N ATOM 1839 CA ARG B 21 -16.445 -11.374 7.508 1.00 3.56 C ATOM 1840 C ARG B 21 -15.176 -12.167 7.215 1.00 3.97 C ATOM 1841 O ARG B 21 -14.125 -11.899 7.787 1.00 4.56 O ATOM 1842 CB ARG B 21 -17.456 -12.250 8.261 1.00 4.19 C ATOM 1843 CG ARG B 21 -17.340 -12.177 9.782 1.00 4.83 C ATOM 1844 CD ARG B 21 -16.018 -12.728 10.296 1.00 5.37 C ATOM 1845 NE ARG B 21 -15.907 -12.608 11.751 1.00 5.88 N ATOM 1846 CZ ARG B 21 -14.885 -13.079 12.467 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -13.872 -13.690 11.867 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -14.877 -12.934 13.785 1.00 7.28 N ATOM 0 H ARG B 21 -16.651 -11.315 5.425 1.00 2.81 H new ATOM 0 HA ARG B 21 -16.191 -10.521 8.138 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -18.464 -11.953 7.970 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -17.326 -13.286 7.948 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -17.446 -11.140 10.101 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -18.161 -12.735 10.232 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -15.925 -13.776 10.010 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -15.194 -12.194 9.823 1.00 5.37 H new ATOM 0 HE ARG B 21 -16.660 -12.134 12.249 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -13.872 -13.802 10.853 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -13.093 -14.048 12.420 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -15.652 -12.462 14.251 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -14.096 -13.294 14.333 1.00 7.28 H new ATOM 1862 N LYS B 22 -15.275 -13.144 6.325 1.00 4.14 N ATOM 1863 CA LYS B 22 -14.131 -13.987 6.008 1.00 4.91 C ATOM 1864 C LYS B 22 -14.162 -14.466 4.560 1.00 5.05 C ATOM 1865 O LYS B 22 -13.162 -14.371 3.849 1.00 5.59 O ATOM 1866 CB LYS B 22 -14.090 -15.195 6.948 1.00 5.69 C ATOM 1867 CG LYS B 22 -12.907 -16.117 6.702 1.00 6.45 C ATOM 1868 CD LYS B 22 -12.969 -17.352 7.583 1.00 7.33 C ATOM 1869 CE LYS B 22 -11.792 -18.281 7.330 1.00 8.20 C ATOM 1870 NZ LYS B 22 -10.491 -17.638 7.656 1.00 8.71 N ATOM 0 H LYS B 22 -16.128 -13.371 5.813 1.00 4.14 H new ATOM 0 HA LYS B 22 -13.233 -13.384 6.143 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -14.057 -14.842 7.979 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -15.013 -15.764 6.836 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -12.890 -16.417 5.654 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -11.979 -15.578 6.894 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -12.977 -17.052 8.631 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -13.901 -17.886 7.397 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -11.909 -19.185 7.928 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -11.792 -18.589 6.284 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -9.741 -18.358 7.666 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -10.270 -16.918 6.939 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -10.551 -17.188 8.592 1.00 8.71 H new ATOM 1884 N GLY B 23 -15.315 -14.969 4.138 1.00 4.89 N ATOM 1885 CA GLY B 23 -15.432 -15.619 2.844 1.00 5.27 C ATOM 1886 C GLY B 23 -15.056 -14.742 1.667 1.00 5.26 C ATOM 1887 O GLY B 23 -14.253 -15.153 0.826 1.00 5.68 O ATOM 0 H GLY B 23 -16.182 -14.938 4.675 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -14.798 -16.506 2.838 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -16.459 -15.960 2.714 1.00 5.27 H new ATOM 1891 N HIS B 24 -15.626 -13.539 1.607 1.00 5.16 N ATOM 1892 CA HIS B 24 -15.467 -12.661 0.446 1.00 5.45 C ATOM 1893 C HIS B 24 -15.954 -13.385 -0.810 1.00 5.00 C ATOM 1894 O HIS B 24 -15.165 -13.775 -1.671 1.00 5.43 O ATOM 1895 CB HIS B 24 -14.004 -12.205 0.284 1.00 6.30 C ATOM 1896 CG HIS B 24 -13.782 -11.233 -0.845 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -13.370 -11.621 -2.102 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -13.910 -9.885 -0.898 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -13.255 -10.559 -2.876 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -13.576 -9.493 -2.172 1.00 8.17 N ATOM 0 H HIS B 24 -16.204 -13.148 2.351 1.00 5.16 H new ATOM 0 HA HIS B 24 -16.069 -11.765 0.600 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -13.673 -11.745 1.215 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -13.378 -13.082 0.122 1.00 6.30 H new ATOM 0 HD1 HIS B 24 -13.183 -12.582 -2.389 1.00 7.56 H new ATOM 0 HD2 HIS B 24 -14.217 -9.239 -0.089 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -12.949 -10.563 -3.912 1.00 8.27 H new ATOM 1909 N PHE B 25 -17.263 -13.581 -0.893 1.00 4.49 N ATOM 1910 CA PHE B 25 -17.863 -14.306 -2.007 1.00 4.32 C ATOM 1911 C PHE B 25 -17.842 -13.446 -3.260 1.00 3.72 C ATOM 1912 O PHE B 25 -17.552 -13.922 -4.360 1.00 3.96 O ATOM 1913 CB PHE B 25 -19.302 -14.703 -1.668 1.00 4.90 C ATOM 1914 CG PHE B 25 -19.430 -15.472 -0.384 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -19.300 -16.851 -0.371 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -19.680 -14.814 0.811 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -19.416 -17.559 0.810 1.00 7.10 C ATOM 1918 CE2 PHE B 25 -19.796 -15.517 1.994 1.00 7.09 C ATOM 1919 CZ PHE B 25 -19.665 -16.891 1.994 1.00 7.50 C ATOM 0 H PHE B 25 -17.933 -13.247 -0.200 1.00 4.49 H new ATOM 0 HA PHE B 25 -17.283 -15.211 -2.188 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -19.912 -13.802 -1.604 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -19.705 -15.304 -2.483 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -19.106 -17.378 -1.293 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -19.785 -13.739 0.816 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -19.312 -18.634 0.808 1.00 7.10 H new ATOM 0 HE2 PHE B 25 -19.989 -14.992 2.918 1.00 7.09 H new ATOM 0 HZ PHE B 25 -19.757 -17.443 2.918 1.00 7.50 H new ATOM 1929 N ASP B 26 -18.153 -12.175 -3.076 1.00 3.50 N ATOM 1930 CA ASP B 26 -18.118 -11.201 -4.152 1.00 3.49 C ATOM 1931 C ASP B 26 -17.228 -10.045 -3.741 1.00 3.06 C ATOM 1932 O ASP B 26 -17.140 -9.721 -2.557 1.00 3.62 O ATOM 1933 CB ASP B 26 -19.523 -10.667 -4.456 1.00 4.40 C ATOM 1934 CG ASP B 26 -20.491 -11.742 -4.902 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -21.173 -12.332 -4.035 1.00 5.49 O ATOM 1936 OD2 ASP B 26 -20.592 -11.983 -6.123 1.00 5.62 O ATOM 0 H ASP B 26 -18.437 -11.789 -2.176 1.00 3.50 H new ATOM 0 HA ASP B 26 -17.729 -11.685 -5.048 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -19.919 -10.179 -3.565 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -19.454 -9.905 -5.233 1.00 4.40 H new ATOM 1941 N THR B 27 -16.553 -9.433 -4.693 1.00 2.56 N ATOM 1942 CA THR B 27 -15.765 -8.263 -4.383 1.00 2.53 C ATOM 1943 C THR B 27 -16.689 -7.047 -4.348 1.00 1.72 C ATOM 1944 O THR B 27 -17.634 -6.948 -5.133 1.00 2.30 O ATOM 1945 CB THR B 27 -14.583 -8.076 -5.365 1.00 3.34 C ATOM 1946 OG1 THR B 27 -13.447 -7.577 -4.645 1.00 3.84 O ATOM 1947 CG2 THR B 27 -14.923 -7.128 -6.506 1.00 3.95 C ATOM 0 H THR B 27 -16.535 -9.722 -5.671 1.00 2.56 H new ATOM 0 HA THR B 27 -15.306 -8.390 -3.403 1.00 2.53 H new ATOM 0 HB THR B 27 -14.360 -9.047 -5.807 1.00 3.34 H new ATOM 0 HG1 THR B 27 -13.329 -6.624 -4.840 1.00 3.84 H new ATOM 0 HG21 THR B 27 -14.062 -7.030 -7.167 1.00 3.95 H new ATOM 0 HG22 THR B 27 -15.769 -7.524 -7.068 1.00 3.95 H new ATOM 0 HG23 THR B 27 -15.183 -6.150 -6.101 1.00 3.95 H new ATOM 1955 N LEU B 28 -16.429 -6.147 -3.416 1.00 1.15 N ATOM 1956 CA LEU B 28 -17.404 -5.132 -3.047 1.00 0.90 C ATOM 1957 C LEU B 28 -17.299 -3.890 -3.921 1.00 0.71 C ATOM 1958 O LEU B 28 -16.304 -3.676 -4.617 1.00 0.76 O ATOM 1959 CB LEU B 28 -17.242 -4.748 -1.573 1.00 1.66 C ATOM 1960 CG LEU B 28 -17.487 -5.867 -0.544 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -18.774 -6.618 -0.849 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -16.307 -6.827 -0.476 1.00 2.37 C ATOM 0 H LEU B 28 -15.551 -6.097 -2.900 1.00 1.15 H new ATOM 0 HA LEU B 28 -18.392 -5.564 -3.204 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -16.231 -4.366 -1.428 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -17.927 -3.928 -1.356 1.00 1.66 H new ATOM 0 HG LEU B 28 -17.591 -5.396 0.433 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -18.922 -7.402 -0.107 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -19.615 -5.926 -0.818 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -18.708 -7.065 -1.841 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -16.512 -7.605 0.260 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -16.153 -7.284 -1.454 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -15.410 -6.281 -0.185 1.00 2.37 H new ATOM 1974 N SER B 29 -18.344 -3.075 -3.865 1.00 0.61 N ATOM 1975 CA SER B 29 -18.449 -1.882 -4.682 1.00 0.48 C ATOM 1976 C SER B 29 -18.013 -0.632 -3.913 1.00 0.44 C ATOM 1977 O SER B 29 -17.497 -0.737 -2.795 1.00 0.53 O ATOM 1978 CB SER B 29 -19.886 -1.744 -5.178 1.00 0.55 C ATOM 1979 OG SER B 29 -20.808 -1.925 -4.117 1.00 1.35 O ATOM 0 H SER B 29 -19.143 -3.226 -3.249 1.00 0.61 H new ATOM 0 HA SER B 29 -17.777 -1.979 -5.535 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.028 -0.760 -5.624 1.00 0.55 H new ATOM 0 HB3 SER B 29 -20.077 -2.479 -5.960 1.00 0.55 H new ATOM 0 HG SER B 29 -21.722 -1.830 -4.458 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.221 0.542 -4.507 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.721 1.794 -3.943 1.00 0.36 C ATOM 1987 C LYS B 30 -18.251 2.041 -2.536 1.00 0.36 C ATOM 1988 O LYS B 30 -17.529 2.557 -1.699 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.093 2.976 -4.838 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.226 4.212 -4.614 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.660 5.390 -5.485 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.186 4.932 -6.841 1.00 0.52 C ATOM 1993 NZ LYS B 30 -18.549 6.059 -7.745 1.00 1.32 N ATOM 0 H LYS B 30 -18.734 0.652 -5.382 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.636 1.703 -3.887 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.012 2.670 -5.881 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.136 3.238 -4.663 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.275 4.502 -3.564 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.186 3.967 -4.829 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.434 5.958 -4.968 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -16.815 6.063 -5.632 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.430 4.315 -7.327 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.062 4.301 -6.689 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -18.802 5.685 -8.682 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.360 6.575 -7.348 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -17.739 6.705 -7.837 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.500 1.666 -2.281 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.105 1.916 -0.978 1.00 0.40 C ATOM 2009 C GLY B 31 -19.327 1.302 0.167 1.00 0.38 C ATOM 2010 O GLY B 31 -19.168 1.917 1.224 1.00 0.39 O ATOM 0 H GLY B 31 -20.107 1.193 -2.951 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.183 2.992 -0.821 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -21.120 1.519 -0.973 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.834 0.095 -0.045 1.00 0.44 N ATOM 2015 CA GLU B 32 -18.111 -0.625 0.989 1.00 0.50 C ATOM 2016 C GLU B 32 -16.724 -0.040 1.188 1.00 0.42 C ATOM 2017 O GLU B 32 -16.216 0.025 2.308 1.00 0.44 O ATOM 2018 CB GLU B 32 -18.009 -2.093 0.614 1.00 0.67 C ATOM 2019 CG GLU B 32 -19.362 -2.773 0.480 1.00 0.96 C ATOM 2020 CD GLU B 32 -20.164 -2.739 1.764 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -20.863 -1.735 2.011 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -20.113 -3.726 2.525 1.00 2.10 O ATOM 0 H GLU B 32 -18.921 -0.409 -0.927 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.658 -0.528 1.927 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -17.469 -2.184 -0.329 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -17.421 -2.614 1.369 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -19.931 -2.287 -0.312 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -19.214 -3.809 0.176 1.00 0.96 H new ATOM 2029 N LEU B 33 -16.116 0.385 0.091 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.819 1.028 0.145 1.00 0.34 C ATOM 2031 C LEU B 33 -14.963 2.365 0.839 1.00 0.30 C ATOM 2032 O LEU B 33 -14.170 2.721 1.695 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.273 1.225 -1.260 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.811 1.676 -1.321 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.905 0.623 -0.701 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.393 1.956 -2.753 1.00 0.46 C ATOM 0 H LEU B 33 -16.504 0.294 -0.848 1.00 0.38 H new ATOM 0 HA LEU B 33 -14.122 0.400 0.700 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.373 0.289 -1.809 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.888 1.963 -1.774 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.715 2.599 -0.750 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.869 0.958 -0.752 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -12.186 0.469 0.341 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -12.010 -0.315 -1.247 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.351 2.275 -2.772 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.506 1.050 -3.349 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.021 2.744 -3.168 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.009 3.078 0.458 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.369 4.352 1.050 1.00 0.31 C ATOM 2050 C LYS B 34 -16.504 4.219 2.562 1.00 0.35 C ATOM 2051 O LYS B 34 -16.027 5.065 3.313 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.683 4.826 0.424 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.363 5.970 1.159 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.699 6.315 0.524 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.369 7.476 1.234 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.711 7.778 0.669 1.00 1.87 N ATOM 0 H LYS B 34 -16.642 2.781 -0.285 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.587 5.086 0.854 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.489 5.137 -0.603 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.372 3.983 0.377 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.514 5.696 2.203 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.716 6.847 1.150 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.550 6.567 -0.526 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.353 5.443 0.553 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.466 7.244 2.295 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.737 8.361 1.158 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.132 8.578 1.184 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.617 8.025 -0.337 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -22.324 6.943 0.765 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.147 3.140 2.991 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.265 2.818 4.400 1.00 0.43 C ATOM 2072 C GLN B 35 -15.886 2.746 5.040 1.00 0.43 C ATOM 2073 O GLN B 35 -15.582 3.535 5.929 1.00 0.50 O ATOM 2074 CB GLN B 35 -18.026 1.502 4.551 1.00 0.50 C ATOM 2075 CG GLN B 35 -18.094 0.986 5.971 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.960 -0.251 6.091 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -18.481 -1.380 5.973 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.247 -0.045 6.321 1.00 2.06 N ATOM 0 H GLN B 35 -17.599 2.468 2.371 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.822 3.600 4.915 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -19.041 1.637 4.176 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.552 0.747 3.924 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -17.087 0.758 6.321 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.488 1.767 6.621 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -20.603 0.907 6.412 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.883 -0.838 6.407 1.00 2.06 H new ATOM 2087 N LEU B 36 -15.042 1.843 4.545 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.686 1.685 5.056 1.00 0.39 C ATOM 2089 C LEU B 36 -12.942 3.018 5.049 1.00 0.38 C ATOM 2090 O LEU B 36 -12.316 3.393 6.021 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.933 0.646 4.217 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.453 0.451 4.560 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.023 -0.962 4.240 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.589 1.431 3.787 1.00 0.40 C ATOM 0 H LEU B 36 -15.278 1.206 3.784 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.741 1.338 6.088 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.439 -0.313 4.323 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -13.008 0.932 3.168 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.326 0.634 5.627 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.969 -1.087 4.489 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.619 -1.664 4.823 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.170 -1.155 3.177 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.542 1.275 4.046 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.726 1.272 2.717 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.878 2.451 4.042 1.00 0.40 H new ATOM 2106 N LEU B 37 -13.033 3.731 3.949 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.273 4.955 3.761 1.00 0.35 C ATOM 2108 C LEU B 37 -12.688 6.048 4.733 1.00 0.41 C ATOM 2109 O LEU B 37 -11.842 6.664 5.379 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.439 5.433 2.325 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.869 4.480 1.277 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.248 4.926 -0.126 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.362 4.376 1.428 1.00 0.32 C ATOM 0 H LEU B 37 -13.631 3.484 3.161 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.225 4.734 3.963 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.500 5.583 2.124 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.954 6.404 2.219 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.300 3.492 1.437 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.830 4.231 -0.854 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.334 4.942 -0.222 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.852 5.925 -0.310 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.967 3.694 0.675 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.914 5.361 1.296 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.121 3.999 2.422 1.00 0.32 H new ATOM 2125 N THR B 38 -13.986 6.272 4.849 1.00 0.45 N ATOM 2126 CA THR B 38 -14.499 7.353 5.670 1.00 0.53 C ATOM 2127 C THR B 38 -14.252 7.103 7.155 1.00 0.59 C ATOM 2128 O THR B 38 -14.137 8.046 7.938 1.00 0.67 O ATOM 2129 CB THR B 38 -16.006 7.568 5.426 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.713 6.331 5.578 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.254 8.125 4.034 1.00 1.03 C ATOM 0 H THR B 38 -14.704 5.718 4.383 1.00 0.45 H new ATOM 0 HA THR B 38 -13.958 8.253 5.378 1.00 0.53 H new ATOM 0 HB THR B 38 -16.368 8.286 6.162 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.788 5.888 4.707 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.324 8.268 3.885 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.742 9.081 3.928 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.874 7.425 3.289 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.188 5.839 7.549 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.992 5.504 8.950 1.00 0.67 C ATOM 2141 C LYS B 39 -12.527 5.208 9.288 1.00 0.65 C ATOM 2142 O LYS B 39 -12.056 5.563 10.368 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.890 4.331 9.352 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.582 3.044 8.615 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.764 2.084 8.617 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.166 1.698 10.033 1.00 0.87 C ATOM 2147 NZ LYS B 39 -17.259 0.691 10.050 1.00 1.62 N ATOM 0 H LYS B 39 -14.268 5.037 6.924 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.275 6.383 9.529 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.788 4.158 10.423 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.930 4.603 9.170 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.304 3.274 7.586 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.722 2.560 9.077 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.611 2.547 8.111 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.507 1.187 8.053 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.299 1.300 10.560 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.486 2.589 10.574 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -17.501 0.458 11.034 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -18.096 1.079 9.571 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -16.946 -0.170 9.557 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.799 4.586 8.366 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.468 4.069 8.674 1.00 0.58 C ATOM 2163 C GLU B 40 -9.372 5.032 8.223 1.00 0.56 C ATOM 2164 O GLU B 40 -8.364 5.203 8.910 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.258 2.695 8.016 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.270 1.638 8.435 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.312 1.394 9.930 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -11.886 2.225 10.661 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -10.796 0.349 10.376 1.00 1.63 O ATOM 0 H GLU B 40 -12.104 4.428 7.406 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.402 3.963 9.757 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.301 2.813 6.933 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.257 2.339 8.258 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.261 1.942 8.097 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -11.035 0.702 7.929 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.575 5.659 7.071 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.582 6.571 6.504 1.00 0.49 C ATOM 2178 C LEU B 41 -9.095 8.000 6.590 1.00 0.53 C ATOM 2179 O LEU B 41 -8.674 8.875 5.829 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.271 6.221 5.033 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.472 4.930 4.782 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -8.232 3.696 5.238 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.130 4.811 3.305 1.00 1.42 C ATOM 0 H LEU B 41 -10.419 5.554 6.508 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.661 6.470 7.079 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.216 6.146 4.494 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.719 7.053 4.595 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.555 4.989 5.368 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.633 2.807 5.043 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.436 3.769 6.306 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -9.173 3.626 4.693 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.564 3.895 3.135 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -8.049 4.784 2.720 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.531 5.669 3.000 1.00 1.42 H new ATOM 2195 N ALA B 42 -10.001 8.219 7.544 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.711 9.490 7.698 1.00 0.64 C ATOM 2197 C ALA B 42 -9.781 10.698 7.772 1.00 0.71 C ATOM 2198 O ALA B 42 -10.146 11.794 7.345 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.587 9.444 8.940 1.00 0.71 C ATOM 0 H ALA B 42 -10.264 7.516 8.235 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.321 9.616 6.803 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -12.113 10.392 9.050 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.312 8.636 8.844 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.965 9.271 9.818 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.581 10.501 8.297 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.671 11.616 8.530 1.00 0.83 C ATOM 2207 C ASN B 43 -6.354 11.419 7.780 1.00 0.83 C ATOM 2208 O ASN B 43 -5.292 11.837 8.237 1.00 1.07 O ATOM 2209 CB ASN B 43 -7.419 11.780 10.034 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.701 13.075 10.391 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -5.919 13.121 11.340 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -6.975 14.141 9.654 1.00 2.16 N ATOM 0 H ASN B 43 -8.215 9.588 8.568 1.00 0.74 H new ATOM 0 HA ASN B 43 -8.135 12.525 8.149 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -8.373 11.746 10.560 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.828 10.936 10.390 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -6.533 15.035 9.866 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -7.628 14.068 8.874 1.00 2.16 H new ATOM 2219 N THR B 44 -6.417 10.768 6.631 1.00 0.65 N ATOM 2220 CA THR B 44 -5.236 10.626 5.794 1.00 0.61 C ATOM 2221 C THR B 44 -5.471 11.278 4.445 1.00 0.59 C ATOM 2222 O THR B 44 -4.858 12.289 4.109 1.00 0.66 O ATOM 2223 CB THR B 44 -4.863 9.152 5.570 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.841 8.457 6.825 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.499 9.045 4.898 1.00 0.52 C ATOM 0 H THR B 44 -7.262 10.334 6.259 1.00 0.65 H new ATOM 0 HA THR B 44 -4.414 11.116 6.316 1.00 0.61 H new ATOM 0 HB THR B 44 -5.611 8.698 4.920 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.084 7.835 6.841 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.249 7.995 4.746 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.527 9.554 3.935 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.744 9.510 5.532 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.388 10.702 3.693 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.698 11.174 2.358 1.00 0.51 C ATOM 2235 C ILE B 45 -7.556 12.433 2.439 1.00 0.59 C ATOM 2236 O ILE B 45 -8.517 12.477 3.214 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.446 10.082 1.571 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.647 8.771 1.574 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.720 10.543 0.145 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.299 7.659 0.778 1.00 0.35 C ATOM 0 H ILE B 45 -6.938 9.896 3.989 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.767 11.408 1.841 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.403 9.899 2.061 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.653 8.961 1.169 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.514 8.439 2.604 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.249 9.758 -0.396 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.331 11.445 0.165 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.776 10.756 -0.356 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.678 6.765 0.826 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.282 7.441 1.196 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.407 7.970 -0.261 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.194 13.460 1.664 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.916 14.726 1.680 1.00 0.74 C ATOM 2254 C LYS B 46 -9.390 14.505 1.421 1.00 0.68 C ATOM 2255 O LYS B 46 -9.763 13.858 0.443 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.342 15.720 0.654 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.670 15.428 -0.812 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.939 16.147 -1.262 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.175 15.978 -2.755 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.116 16.639 -3.568 1.00 1.61 N ATOM 0 H LYS B 46 -6.404 13.435 1.019 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.792 15.158 2.673 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.710 16.717 0.897 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.258 15.744 0.766 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.835 15.737 -1.440 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.792 14.354 -0.950 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.795 15.757 -0.711 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.862 17.208 -1.022 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.208 14.916 -2.998 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.147 16.396 -3.018 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -8.393 16.632 -4.570 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -7.996 17.621 -3.249 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -7.219 16.125 -3.453 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.211 15.022 2.325 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.657 14.960 2.186 1.00 0.67 C ATOM 2276 C ASN B 47 -12.122 13.569 1.797 1.00 0.59 C ATOM 2277 O ASN B 47 -12.994 13.418 0.949 1.00 0.57 O ATOM 2278 CB ASN B 47 -12.145 15.965 1.146 1.00 0.69 C ATOM 2279 CG ASN B 47 -12.190 17.388 1.665 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -11.345 17.806 2.457 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -13.196 18.137 1.241 1.00 1.24 N ATOM 0 H ASN B 47 -9.894 15.494 3.172 1.00 0.71 H new ATOM 0 HA ASN B 47 -12.082 15.209 3.158 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.491 15.923 0.275 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.141 15.676 0.810 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -13.291 19.097 1.571 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.876 17.754 0.584 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.538 12.552 2.419 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.901 11.164 2.139 1.00 0.48 C ATOM 2290 C ILE B 48 -13.366 10.911 2.504 1.00 0.48 C ATOM 2291 O ILE B 48 -13.930 9.854 2.235 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.995 10.185 2.917 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.191 8.746 2.431 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.270 10.279 4.407 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.947 8.565 0.949 1.00 0.38 C ATOM 0 H ILE B 48 -10.808 12.661 3.123 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.762 10.992 1.072 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.959 10.467 2.732 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.518 8.091 2.984 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.207 8.429 2.664 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.623 9.583 4.941 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.072 11.294 4.750 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.313 10.027 4.601 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.105 7.521 0.679 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.638 9.193 0.387 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.922 8.850 0.712 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.966 11.909 3.117 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.356 11.860 3.504 1.00 0.57 C ATOM 2309 C LYS B 49 -16.236 12.267 2.332 1.00 0.55 C ATOM 2310 O LYS B 49 -17.449 12.054 2.342 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.577 12.793 4.686 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.594 12.554 5.821 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.659 11.126 6.356 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.663 10.969 7.493 1.00 0.83 C ATOM 2315 NZ LYS B 49 -17.053 11.328 7.098 1.00 1.11 N ATOM 0 H LYS B 49 -13.498 12.782 3.361 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.622 10.844 3.795 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.490 13.826 4.348 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.593 12.664 5.059 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.583 12.763 5.472 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.802 13.253 6.631 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.927 10.450 5.544 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.671 10.828 6.706 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -15.646 9.937 7.845 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.356 11.596 8.330 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.725 10.911 7.774 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -17.158 12.363 7.100 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -17.248 10.962 6.144 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.607 12.847 1.318 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.312 13.316 0.138 1.00 0.56 C ATOM 2331 C ASP B 50 -16.435 12.226 -0.900 1.00 0.50 C ATOM 2332 O ASP B 50 -15.463 11.564 -1.256 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.616 14.529 -0.477 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.117 15.837 0.097 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.144 16.352 -0.403 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -15.492 16.363 1.037 1.00 1.56 O ATOM 0 H ASP B 50 -14.599 13.004 1.292 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.312 13.608 0.461 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.542 14.451 -0.311 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.772 14.526 -1.556 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.651 12.062 -1.387 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.952 11.091 -2.419 1.00 0.48 C ATOM 2343 C LYS B 51 -17.233 11.440 -3.712 1.00 0.49 C ATOM 2344 O LYS B 51 -16.905 10.559 -4.496 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.453 11.057 -2.653 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.889 10.186 -3.819 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.561 8.718 -3.599 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.006 7.879 -4.788 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.433 8.117 -5.135 1.00 0.92 N ATOM 0 H LYS B 51 -18.459 12.601 -1.076 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.609 10.109 -2.092 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.941 10.700 -1.746 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.804 12.074 -2.825 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -20.963 10.297 -3.971 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.401 10.532 -4.730 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.488 8.600 -3.446 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.053 8.363 -2.693 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.380 8.110 -5.650 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.859 6.823 -4.562 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.772 7.353 -5.753 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.003 8.137 -4.265 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.523 9.028 -5.629 1.00 0.92 H new ATOM 2363 N ALA B 52 -16.988 12.726 -3.923 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.255 13.173 -5.096 1.00 0.60 C ATOM 2365 C ALA B 52 -14.818 12.713 -4.994 1.00 0.57 C ATOM 2366 O ALA B 52 -14.180 12.379 -5.988 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.307 14.684 -5.216 1.00 0.67 C ATOM 0 H ALA B 52 -17.286 13.475 -3.298 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.715 12.743 -5.985 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.752 14.998 -6.100 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.344 15.006 -5.305 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.862 15.135 -4.329 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.341 12.674 -3.764 1.00 0.54 N ATOM 2374 CA VAL B 53 -12.986 12.250 -3.471 1.00 0.53 C ATOM 2375 C VAL B 53 -12.897 10.739 -3.564 1.00 0.47 C ATOM 2376 O VAL B 53 -12.005 10.191 -4.212 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.562 12.720 -2.064 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.284 12.033 -1.595 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.376 14.225 -2.049 1.00 0.60 C ATOM 0 H VAL B 53 -14.883 12.936 -2.940 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.311 12.699 -4.200 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.359 12.444 -1.373 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.021 12.393 -0.600 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.442 10.955 -1.561 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.474 12.259 -2.288 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.077 14.545 -1.051 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.604 14.503 -2.766 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.314 14.710 -2.320 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.850 10.082 -2.927 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.931 8.631 -2.932 1.00 0.36 C ATOM 2391 C ILE B 54 -14.101 8.080 -4.334 1.00 0.38 C ATOM 2392 O ILE B 54 -13.462 7.099 -4.705 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.094 8.162 -2.064 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.784 8.526 -0.623 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.328 6.661 -2.222 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.846 8.099 0.347 1.00 0.38 C ATOM 0 H ILE B 54 -14.589 10.538 -2.392 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.991 8.255 -2.528 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.015 8.655 -2.377 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.837 8.068 -0.337 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.650 9.605 -0.550 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.163 6.355 -1.592 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.558 6.436 -3.263 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.430 6.119 -1.924 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.556 8.392 1.356 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.790 8.578 0.087 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.964 7.016 0.304 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.963 8.715 -5.106 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.221 8.293 -6.471 1.00 0.47 C ATOM 2410 C ASP B 55 -13.954 8.374 -7.275 1.00 0.48 C ATOM 2411 O ASP B 55 -13.572 7.421 -7.929 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.296 9.163 -7.101 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.465 8.915 -8.579 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.130 7.927 -8.936 1.00 1.53 O ATOM 2415 OD2 ASP B 55 -15.957 9.717 -9.388 1.00 1.43 O ATOM 0 H ASP B 55 -15.500 9.530 -4.809 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.574 7.262 -6.460 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.245 8.980 -6.597 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -16.047 10.212 -6.941 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.300 9.514 -7.184 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.021 9.727 -7.825 1.00 0.53 C ATOM 2422 C GLU B 56 -11.066 8.558 -7.563 1.00 0.47 C ATOM 2423 O GLU B 56 -10.452 8.024 -8.492 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.431 11.033 -7.307 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.936 12.268 -8.038 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.587 12.253 -9.510 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -12.370 11.704 -10.310 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -10.523 12.790 -9.879 1.00 1.77 O ATOM 0 H GLU B 56 -13.643 10.320 -6.662 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.164 9.787 -8.904 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.663 11.130 -6.246 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.345 10.990 -7.393 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.018 12.336 -7.925 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.511 13.159 -7.576 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.988 8.132 -6.307 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.088 7.063 -5.923 1.00 0.39 C ATOM 2437 C ILE B 57 -10.586 5.715 -6.432 1.00 0.36 C ATOM 2438 O ILE B 57 -9.887 5.021 -7.166 1.00 0.37 O ATOM 2439 CB ILE B 57 -9.963 6.997 -4.402 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.573 8.363 -3.840 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -8.948 5.945 -4.014 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.518 8.406 -2.332 1.00 1.00 C ATOM 0 H ILE B 57 -11.540 8.515 -5.540 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.116 7.276 -6.368 1.00 0.39 H new ATOM 0 HB ILE B 57 -10.928 6.721 -3.978 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.598 8.645 -4.238 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.288 9.108 -4.190 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -8.864 5.903 -2.928 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.269 4.974 -4.391 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -7.979 6.199 -4.443 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.235 9.407 -2.007 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.498 8.156 -1.925 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.782 7.686 -1.974 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.807 5.363 -6.041 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.404 4.082 -6.398 1.00 0.36 C ATOM 2456 C PHE B 58 -12.399 3.876 -7.903 1.00 0.41 C ATOM 2457 O PHE B 58 -12.057 2.805 -8.386 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.839 4.002 -5.875 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.555 2.749 -6.292 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.355 1.558 -5.616 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -15.424 2.767 -7.367 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -15.010 0.408 -6.006 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -16.080 1.623 -7.762 1.00 1.16 C ATOM 2464 CZ PHE B 58 -15.874 0.441 -7.079 1.00 0.93 C ATOM 0 H PHE B 58 -12.408 5.956 -5.469 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.806 3.295 -5.938 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -13.825 4.059 -4.787 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.397 4.867 -6.233 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -13.679 1.528 -4.774 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -15.590 3.690 -7.903 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -14.846 -0.516 -5.472 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -16.755 1.650 -8.605 1.00 1.16 H new ATOM 0 HZ PHE B 58 -16.390 -0.457 -7.385 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.775 4.912 -8.631 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.812 4.867 -10.085 1.00 0.52 C ATOM 2476 C GLN B 59 -11.410 4.658 -10.645 1.00 0.52 C ATOM 2477 O GLN B 59 -11.235 4.063 -11.711 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.421 6.160 -10.632 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.905 6.318 -10.324 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.766 5.304 -11.050 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.261 5.568 -12.145 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.936 4.134 -10.462 1.00 1.63 N ATOM 0 H GLN B 59 -13.063 5.807 -8.234 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.434 4.028 -10.397 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.880 7.010 -10.216 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.278 6.190 -11.712 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -15.061 6.218 -9.250 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.224 7.323 -10.600 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -15.509 3.953 -9.553 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.494 3.411 -10.916 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.414 5.143 -9.910 1.00 0.48 N ATOM 2492 CA GLY B 60 -9.034 4.912 -10.284 1.00 0.49 C ATOM 2493 C GLY B 60 -8.631 3.452 -10.149 1.00 0.47 C ATOM 2494 O GLY B 60 -7.788 2.967 -10.901 1.00 0.53 O ATOM 0 H GLY B 60 -10.540 5.693 -9.060 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.881 5.234 -11.314 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.384 5.524 -9.659 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.231 2.744 -9.197 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.916 1.333 -8.990 1.00 0.44 C ATOM 2500 C LEU B 61 -9.836 0.470 -9.838 1.00 0.51 C ATOM 2501 O LEU B 61 -9.411 -0.535 -10.409 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.057 0.935 -7.512 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.160 2.091 -6.520 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.661 1.586 -5.180 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.810 2.774 -6.358 1.00 0.35 C ATOM 0 H LEU B 61 -9.933 3.120 -8.560 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.879 1.175 -9.287 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.944 0.310 -7.406 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.200 0.320 -7.237 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.871 2.821 -6.907 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.731 2.419 -4.480 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.645 1.135 -5.306 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.968 0.841 -4.790 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.901 3.596 -5.648 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.080 2.054 -5.988 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.481 3.162 -7.322 1.00 0.35 H new ATOM 2517 N ASP B 62 -11.094 0.887 -9.920 1.00 0.51 N ATOM 2518 CA ASP B 62 -12.109 0.180 -10.694 1.00 0.59 C ATOM 2519 C ASP B 62 -11.891 0.415 -12.184 1.00 0.70 C ATOM 2520 O ASP B 62 -12.606 1.181 -12.835 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.513 0.632 -10.273 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.624 -0.099 -11.008 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.622 -1.347 -11.025 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -15.514 0.576 -11.564 1.00 1.40 O ATOM 0 H ASP B 62 -11.440 1.725 -9.452 1.00 0.51 H new ATOM 0 HA ASP B 62 -12.021 -0.888 -10.496 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.632 0.475 -9.201 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.612 1.703 -10.452 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.862 -0.232 -12.702 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.494 -0.118 -14.102 1.00 0.94 C ATOM 2531 C ALA B 63 -11.513 -0.796 -15.004 1.00 1.12 C ATOM 2532 O ALA B 63 -11.743 -0.360 -16.131 1.00 1.31 O ATOM 2533 CB ALA B 63 -9.124 -0.724 -14.324 1.00 1.00 C ATOM 0 H ALA B 63 -10.257 -0.852 -12.163 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.472 0.941 -14.359 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.853 -0.636 -15.376 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -8.390 -0.197 -13.715 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -9.142 -1.776 -14.041 1.00 1.00 H new ATOM 2539 N ASN B 64 -12.125 -1.857 -14.499 1.00 1.10 N ATOM 2540 CA ASN B 64 -13.094 -2.621 -15.276 1.00 1.28 C ATOM 2541 C ASN B 64 -14.407 -1.862 -15.403 1.00 1.22 C ATOM 2542 O ASN B 64 -15.237 -2.168 -16.263 1.00 1.37 O ATOM 2543 CB ASN B 64 -13.338 -3.989 -14.640 1.00 1.34 C ATOM 2544 CG ASN B 64 -12.176 -4.945 -14.830 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -11.451 -4.874 -15.823 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -11.993 -5.846 -13.880 1.00 2.80 N ATOM 0 H ASN B 64 -11.969 -2.210 -13.555 1.00 1.10 H new ATOM 0 HA ASN B 64 -12.681 -2.768 -16.274 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.525 -3.860 -13.574 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -14.238 -4.429 -15.071 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -11.228 -6.517 -13.954 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -12.617 -5.871 -13.073 1.00 2.80 H new ATOM 2553 N GLN B 65 -14.575 -0.864 -14.534 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.740 0.020 -14.546 1.00 1.06 C ATOM 2555 C GLN B 65 -17.023 -0.740 -14.226 1.00 1.04 C ATOM 2556 O GLN B 65 -18.112 -0.346 -14.645 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.864 0.751 -15.886 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.687 1.664 -16.184 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.878 2.479 -17.446 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -15.540 2.046 -18.390 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -14.295 3.667 -17.472 1.00 2.58 N ATOM 0 H GLN B 65 -13.903 -0.646 -13.799 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.590 0.764 -13.764 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.956 0.016 -16.686 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.781 1.340 -15.887 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -14.535 2.339 -15.342 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.783 1.063 -16.279 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -13.755 3.988 -16.668 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -14.385 4.262 -18.296 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.887 -1.817 -13.463 1.00 0.93 N ATOM 2571 CA ASP B 66 -18.040 -2.603 -13.034 1.00 0.95 C ATOM 2572 C ASP B 66 -18.432 -2.211 -11.620 1.00 0.81 C ATOM 2573 O ASP B 66 -19.319 -2.815 -11.015 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.746 -4.107 -13.081 1.00 1.06 C ATOM 2575 CG ASP B 66 -17.574 -4.642 -14.488 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -18.579 -4.723 -15.227 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -16.440 -5.011 -14.854 1.00 2.14 O ATOM 0 H ASP B 66 -15.990 -2.168 -13.128 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.860 -2.394 -13.721 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.841 -4.311 -12.509 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -18.559 -4.644 -12.593 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.743 -1.193 -11.108 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.919 -0.723 -9.742 1.00 0.63 C ATOM 2584 C GLU B 67 -17.535 -1.830 -8.767 1.00 0.58 C ATOM 2585 O GLU B 67 -18.283 -2.169 -7.848 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.353 -0.229 -9.494 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.516 0.526 -8.183 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.917 1.055 -7.973 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.195 2.195 -8.399 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.741 0.348 -7.354 1.00 2.00 O ATOM 0 H GLU B 67 -17.044 -0.670 -11.635 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.261 0.131 -9.580 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.653 0.419 -10.317 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -20.029 -1.084 -9.498 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.256 -0.134 -7.356 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.813 1.358 -8.160 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.356 -2.394 -8.981 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.865 -3.488 -8.157 1.00 0.66 C ATOM 2599 C GLN B 68 -14.389 -3.295 -7.843 1.00 0.66 C ATOM 2600 O GLN B 68 -13.564 -3.241 -8.750 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.060 -4.823 -8.878 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.510 -5.164 -9.176 1.00 1.38 C ATOM 2603 CD GLN B 68 -17.657 -6.477 -9.913 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -16.770 -6.885 -10.666 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -18.776 -7.148 -9.704 1.00 2.07 N ATOM 0 H GLN B 68 -15.718 -2.110 -9.724 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.431 -3.495 -7.226 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.504 -4.802 -9.815 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.629 -5.618 -8.269 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -18.068 -5.211 -8.241 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -17.953 -4.365 -9.771 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -19.484 -6.774 -9.073 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -18.931 -8.040 -10.174 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.061 -3.182 -6.564 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.672 -3.068 -6.142 1.00 0.64 C ATOM 2616 C VAL B 69 -12.105 -4.432 -5.725 1.00 0.64 C ATOM 2617 O VAL B 69 -12.591 -5.068 -4.786 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.510 -2.035 -4.995 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.405 -2.369 -3.808 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.056 -1.936 -4.557 1.00 1.22 C ATOM 0 H VAL B 69 -14.737 -3.167 -5.801 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.101 -2.710 -6.999 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.822 -1.065 -5.383 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.264 -1.624 -3.025 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.447 -2.368 -4.127 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.145 -3.355 -3.422 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -10.967 -1.206 -3.752 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.715 -2.909 -4.203 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.442 -1.622 -5.401 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.103 -4.892 -6.464 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.408 -6.146 -6.157 1.00 0.73 C ATOM 2632 C ASP B 70 -9.315 -5.915 -5.115 1.00 0.64 C ATOM 2633 O ASP B 70 -9.024 -4.774 -4.775 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.794 -6.726 -7.443 1.00 0.84 C ATOM 2635 CG ASP B 70 -8.962 -7.978 -7.212 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.547 -9.062 -7.023 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -7.713 -7.877 -7.196 1.00 1.98 O ATOM 0 H ASP B 70 -10.747 -4.412 -7.291 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.129 -6.854 -5.748 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.595 -6.957 -8.145 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.169 -5.966 -7.911 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.714 -6.988 -4.613 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.599 -6.888 -3.674 1.00 0.67 C ATOM 2644 C PHE B 71 -6.476 -6.022 -4.256 1.00 0.56 C ATOM 2645 O PHE B 71 -5.905 -5.179 -3.567 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.032 -8.274 -3.363 1.00 0.83 C ATOM 2647 CG PHE B 71 -7.989 -9.246 -2.728 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -8.976 -9.867 -3.477 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -7.879 -9.560 -1.383 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -9.834 -10.781 -2.896 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -8.737 -10.471 -0.797 1.00 1.76 C ATOM 2652 CZ PHE B 71 -9.716 -11.081 -1.554 1.00 1.77 C ATOM 0 H PHE B 71 -8.982 -7.945 -4.842 1.00 0.70 H new ATOM 0 HA PHE B 71 -7.979 -6.431 -2.760 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.662 -8.711 -4.291 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.173 -8.155 -2.702 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.076 -9.634 -4.527 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -7.114 -9.087 -0.786 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -10.597 -11.260 -3.492 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -8.641 -10.705 0.253 1.00 1.76 H new ATOM 0 HZ PHE B 71 -10.389 -11.792 -1.097 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.172 -6.244 -5.533 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.103 -5.521 -6.221 1.00 0.57 C ATOM 2664 C GLN B 72 -5.485 -4.062 -6.418 1.00 0.50 C ATOM 2665 O GLN B 72 -4.652 -3.160 -6.353 1.00 0.47 O ATOM 2666 CB GLN B 72 -4.828 -6.163 -7.581 1.00 0.70 C ATOM 2667 CG GLN B 72 -3.880 -5.358 -8.449 1.00 0.75 C ATOM 2668 CD GLN B 72 -3.785 -5.887 -9.864 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.553 -5.492 -10.738 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -2.830 -6.767 -10.108 1.00 1.66 N ATOM 0 H GLN B 72 -6.656 -6.926 -6.118 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.204 -5.571 -5.606 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.410 -7.158 -7.427 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -5.772 -6.292 -8.111 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.212 -4.320 -8.476 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -2.888 -5.363 -7.997 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.212 -7.071 -9.356 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -2.711 -7.143 -11.049 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.753 -3.843 -6.664 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.268 -2.508 -6.877 1.00 0.47 C ATOM 2681 C GLU B 73 -7.399 -1.785 -5.544 1.00 0.36 C ATOM 2682 O GLU B 73 -7.249 -0.569 -5.464 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.584 -2.616 -7.625 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.414 -3.419 -8.903 1.00 0.78 C ATOM 2685 CD GLU B 73 -9.707 -3.697 -9.625 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.722 -3.931 -8.954 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -9.698 -3.704 -10.875 1.00 1.99 O ATOM 0 H GLU B 73 -7.456 -4.579 -6.723 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.584 -1.914 -7.484 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.331 -3.090 -6.989 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -8.955 -1.619 -7.863 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -7.744 -2.880 -9.573 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -7.932 -4.367 -8.664 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.640 -2.549 -4.493 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.564 -2.030 -3.140 1.00 0.34 C ATOM 2696 C PHE B 74 -6.116 -1.706 -2.810 1.00 0.32 C ATOM 2697 O PHE B 74 -5.826 -0.796 -2.040 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.123 -3.041 -2.144 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.147 -2.535 -0.729 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.135 -1.662 -0.309 1.00 1.44 C ATOM 2701 CD2 PHE B 74 -7.176 -2.929 0.180 1.00 1.32 C ATOM 2702 CE1 PHE B 74 -9.158 -1.191 0.990 1.00 1.92 C ATOM 2703 CE2 PHE B 74 -7.193 -2.460 1.479 1.00 1.77 C ATOM 2704 CZ PHE B 74 -8.186 -1.590 1.884 1.00 1.90 C ATOM 0 H PHE B 74 -7.891 -3.536 -4.552 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.164 -1.123 -3.070 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.136 -3.312 -2.442 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.524 -3.951 -2.186 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.898 -1.345 -1.005 1.00 1.44 H new ATOM 0 HD2 PHE B 74 -6.398 -3.610 -0.132 1.00 1.32 H new ATOM 0 HE1 PHE B 74 -9.936 -0.511 1.305 1.00 1.92 H new ATOM 0 HE2 PHE B 74 -6.431 -2.773 2.177 1.00 1.77 H new ATOM 0 HZ PHE B 74 -8.202 -1.222 2.899 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.209 -2.449 -3.426 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.789 -2.175 -3.314 1.00 0.36 C ATOM 2716 C ILE B 75 -3.502 -0.821 -3.949 1.00 0.34 C ATOM 2717 O ILE B 75 -2.692 -0.037 -3.452 1.00 0.36 O ATOM 2718 CB ILE B 75 -2.956 -3.293 -3.987 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.522 -4.334 -2.960 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.753 -2.729 -4.722 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.017 -5.607 -3.592 1.00 0.67 C ATOM 0 H ILE B 75 -5.436 -3.252 -4.012 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.503 -2.150 -2.262 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.593 -3.779 -4.725 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.739 -3.911 -2.330 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.364 -4.567 -2.308 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.193 -3.543 -5.181 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.090 -2.039 -5.495 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.112 -2.200 -4.018 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.723 -6.309 -2.812 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -2.806 -6.050 -4.200 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.156 -5.384 -4.222 1.00 0.67 H new ATOM 2733 N SER B 76 -4.210 -0.546 -5.037 1.00 0.34 N ATOM 2734 CA SER B 76 -4.131 0.745 -5.685 1.00 0.36 C ATOM 2735 C SER B 76 -4.716 1.820 -4.772 1.00 0.31 C ATOM 2736 O SER B 76 -4.213 2.929 -4.714 1.00 0.33 O ATOM 2737 CB SER B 76 -4.864 0.710 -7.026 1.00 0.45 C ATOM 2738 OG SER B 76 -4.347 -0.316 -7.861 1.00 0.74 O ATOM 0 H SER B 76 -4.845 -1.206 -5.486 1.00 0.34 H new ATOM 0 HA SER B 76 -3.085 0.986 -5.877 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.929 0.546 -6.859 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.765 1.674 -7.524 1.00 0.45 H new ATOM 0 HG SER B 76 -4.535 -1.190 -7.460 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.767 1.474 -4.037 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.347 2.382 -3.050 1.00 0.26 C ATOM 2746 C LEU B 77 -5.284 2.783 -2.033 1.00 0.23 C ATOM 2747 O LEU B 77 -5.139 3.959 -1.702 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.558 1.703 -2.372 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.224 2.435 -1.188 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.465 2.205 0.112 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.354 3.920 -1.474 1.00 1.14 C ATOM 0 H LEU B 77 -6.236 0.571 -4.105 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.700 3.290 -3.540 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.319 1.538 -3.134 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.239 0.721 -2.022 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.223 2.017 -1.067 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.963 2.736 0.923 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.442 1.139 0.336 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.445 2.576 0.008 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.826 4.414 -0.625 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.365 4.347 -1.638 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.965 4.067 -2.365 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.525 1.804 -1.563 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.459 2.068 -0.609 1.00 0.25 C ATOM 2765 C VAL B 78 -2.370 2.889 -1.271 1.00 0.27 C ATOM 2766 O VAL B 78 -1.694 3.663 -0.620 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.835 0.776 -0.061 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.946 1.084 1.128 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.916 -0.226 0.307 1.00 0.31 C ATOM 0 H VAL B 78 -4.627 0.824 -1.826 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.903 2.613 0.224 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.217 0.329 -0.840 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.511 0.159 1.506 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.149 1.761 0.821 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.538 1.554 1.913 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.454 -1.134 0.693 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.565 0.203 1.070 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.505 -0.467 -0.578 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.207 2.709 -2.571 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.270 3.513 -3.338 1.00 0.36 C ATOM 2781 C ALA B 79 -1.670 4.984 -3.277 1.00 0.33 C ATOM 2782 O ALA B 79 -0.852 5.857 -2.985 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.232 3.031 -4.779 1.00 0.43 C ATOM 0 H ALA B 79 -2.712 2.012 -3.118 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.274 3.407 -2.908 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.528 3.638 -5.347 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.916 1.988 -4.806 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.225 3.120 -5.219 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.945 5.238 -3.541 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.520 6.577 -3.450 1.00 0.32 C ATOM 2791 C ILE B 80 -3.382 7.117 -2.029 1.00 0.28 C ATOM 2792 O ILE B 80 -3.128 8.300 -1.825 1.00 0.31 O ATOM 2793 CB ILE B 80 -5.021 6.569 -3.860 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.200 6.529 -5.387 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.750 7.781 -3.294 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.492 5.392 -6.090 1.00 0.40 C ATOM 0 H ILE B 80 -3.612 4.521 -3.825 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.974 7.223 -4.138 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.454 5.661 -3.441 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.265 6.466 -5.610 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.843 7.471 -5.803 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.797 7.750 -3.596 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.686 7.769 -2.206 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.290 8.693 -3.674 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.681 5.453 -7.162 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.420 5.462 -5.906 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.865 4.441 -5.710 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.524 6.231 -1.060 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.492 6.606 0.343 1.00 0.23 C ATOM 2810 C ALA B 81 -2.063 6.859 0.837 1.00 0.23 C ATOM 2811 O ALA B 81 -1.825 7.745 1.658 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.177 5.530 1.159 1.00 0.24 C ATOM 0 H ALA B 81 -3.664 5.234 -1.222 1.00 0.23 H new ATOM 0 HA ALA B 81 -4.028 7.547 0.466 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.157 5.805 2.214 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.211 5.427 0.831 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.657 4.582 1.021 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.114 6.085 0.332 1.00 0.22 N ATOM 2819 CA LEU B 82 0.295 6.315 0.616 1.00 0.23 C ATOM 2820 C LEU B 82 0.736 7.593 -0.073 1.00 0.24 C ATOM 2821 O LEU B 82 1.607 8.322 0.406 1.00 0.30 O ATOM 2822 CB LEU B 82 1.149 5.143 0.130 1.00 0.25 C ATOM 2823 CG LEU B 82 0.891 3.804 0.823 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.755 2.726 0.207 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.162 3.905 2.314 1.00 0.32 C ATOM 0 H LEU B 82 -1.295 5.289 -0.279 1.00 0.22 H new ATOM 0 HA LEU B 82 0.428 6.407 1.694 1.00 0.23 H new ATOM 0 HB2 LEU B 82 0.984 5.016 -0.940 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.199 5.403 0.262 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.158 3.542 0.684 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.564 1.777 0.707 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.519 2.632 -0.853 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.806 2.992 0.322 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.971 2.940 2.785 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.202 4.189 2.476 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.507 4.658 2.753 1.00 0.32 H new ATOM 2837 N LYS B 83 0.120 7.856 -1.212 1.00 0.26 N ATOM 2838 CA LYS B 83 0.328 9.099 -1.920 1.00 0.33 C ATOM 2839 C LYS B 83 -0.410 10.240 -1.230 1.00 0.31 C ATOM 2840 O LYS B 83 -0.085 11.398 -1.424 1.00 0.44 O ATOM 2841 CB LYS B 83 -0.099 8.964 -3.376 1.00 0.42 C ATOM 2842 CG LYS B 83 1.086 8.732 -4.276 1.00 0.66 C ATOM 2843 CD LYS B 83 0.906 9.330 -5.650 1.00 1.04 C ATOM 2844 CE LYS B 83 2.265 9.689 -6.209 1.00 0.80 C ATOM 2845 NZ LYS B 83 2.264 9.810 -7.691 1.00 1.67 N ATOM 0 H LYS B 83 -0.533 7.217 -1.666 1.00 0.26 H new ATOM 0 HA LYS B 83 1.392 9.333 -1.904 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.801 8.136 -3.476 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.624 9.867 -3.688 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.976 9.158 -3.813 1.00 0.66 H new ATOM 0 HG3 LYS B 83 1.259 7.660 -4.372 1.00 0.66 H new ATOM 0 HD2 LYS B 83 0.403 8.620 -6.307 1.00 1.04 H new ATOM 0 HD3 LYS B 83 0.274 10.217 -5.596 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.595 10.631 -5.772 1.00 0.80 H new ATOM 0 HE3 LYS B 83 2.988 8.929 -5.911 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.219 10.057 -8.020 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 1.976 8.904 -8.113 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 1.596 10.554 -7.978 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.399 9.910 -0.420 1.00 0.31 N ATOM 2860 CA ALA B 84 -2.042 10.905 0.422 1.00 0.35 C ATOM 2861 C ALA B 84 -1.080 11.351 1.509 1.00 0.33 C ATOM 2862 O ALA B 84 -1.098 12.499 1.944 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.321 10.351 1.030 1.00 0.48 C ATOM 0 H ALA B 84 -1.774 8.966 -0.326 1.00 0.31 H new ATOM 0 HA ALA B 84 -2.310 11.766 -0.190 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.786 11.112 1.656 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -4.009 10.067 0.234 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.086 9.476 1.636 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.227 10.431 1.930 1.00 0.30 N ATOM 2870 CA ALA B 85 0.781 10.733 2.928 1.00 0.38 C ATOM 2871 C ALA B 85 1.984 11.451 2.311 1.00 0.44 C ATOM 2872 O ALA B 85 2.326 12.557 2.721 1.00 0.57 O ATOM 2873 CB ALA B 85 1.212 9.461 3.638 1.00 0.42 C ATOM 0 H ALA B 85 -0.214 9.468 1.594 1.00 0.30 H new ATOM 0 HA ALA B 85 0.341 11.410 3.660 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.969 9.700 4.385 1.00 0.42 H new ATOM 0 HB2 ALA B 85 0.350 9.007 4.127 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.627 8.762 2.912 1.00 0.42 H new ATOM 2879 N HIS B 86 2.623 10.840 1.312 1.00 0.44 N ATOM 2880 CA HIS B 86 3.844 11.416 0.748 1.00 0.59 C ATOM 2881 C HIS B 86 3.534 12.509 -0.283 1.00 0.63 C ATOM 2882 O HIS B 86 4.138 13.577 -0.272 1.00 0.72 O ATOM 2883 CB HIS B 86 4.751 10.314 0.150 1.00 0.69 C ATOM 2884 CG HIS B 86 4.502 9.943 -1.283 1.00 1.28 C ATOM 2885 ND1 HIS B 86 4.933 10.708 -2.349 1.00 2.06 N ATOM 2886 CD2 HIS B 86 3.901 8.858 -1.824 1.00 2.11 C ATOM 2887 CE1 HIS B 86 4.606 10.113 -3.476 1.00 2.66 C ATOM 2888 NE2 HIS B 86 3.980 8.985 -3.190 1.00 2.68 N ATOM 0 H HIS B 86 2.323 9.964 0.884 1.00 0.44 H new ATOM 0 HA HIS B 86 4.389 11.892 1.563 1.00 0.59 H new ATOM 0 HB2 HIS B 86 5.787 10.638 0.243 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.642 9.416 0.758 1.00 0.69 H new ATOM 0 HD1 HIS B 86 5.428 11.597 -2.274 1.00 2.06 H new ATOM 0 HD2 HIS B 86 3.444 8.043 -1.282 1.00 2.11 H new ATOM 0 HE1 HIS B 86 4.814 10.484 -4.469 1.00 2.66 H new ATOM 2897 N TYR B 87 2.572 12.235 -1.148 1.00 0.58 N ATOM 2898 CA TYR B 87 2.187 13.140 -2.232 1.00 0.65 C ATOM 2899 C TYR B 87 1.106 14.104 -1.745 1.00 0.62 C ATOM 2900 O TYR B 87 0.277 14.569 -2.526 1.00 0.66 O ATOM 2901 CB TYR B 87 1.724 12.351 -3.465 1.00 0.69 C ATOM 2902 CG TYR B 87 1.608 13.178 -4.727 1.00 0.87 C ATOM 2903 CD1 TYR B 87 2.676 13.939 -5.181 1.00 1.43 C ATOM 2904 CD2 TYR B 87 0.428 13.199 -5.461 1.00 1.63 C ATOM 2905 CE1 TYR B 87 2.574 14.697 -6.329 1.00 1.54 C ATOM 2906 CE2 TYR B 87 0.319 13.956 -6.612 1.00 1.80 C ATOM 2907 CZ TYR B 87 1.396 14.702 -7.040 1.00 1.29 C ATOM 2908 OH TYR B 87 1.292 15.463 -8.182 1.00 1.51 O ATOM 0 H TYR B 87 2.028 11.372 -1.122 1.00 0.58 H new ATOM 0 HA TYR B 87 3.057 13.725 -2.531 1.00 0.65 H new ATOM 0 HB2 TYR B 87 2.424 11.534 -3.643 1.00 0.69 H new ATOM 0 HB3 TYR B 87 0.755 11.900 -3.250 1.00 0.69 H new ATOM 0 HD1 TYR B 87 3.603 13.938 -4.626 1.00 1.43 H new ATOM 0 HD2 TYR B 87 -0.417 12.615 -5.127 1.00 1.63 H new ATOM 0 HE1 TYR B 87 3.415 15.284 -6.668 1.00 1.54 H new ATOM 0 HE2 TYR B 87 -0.604 13.963 -7.173 1.00 1.80 H new ATOM 0 HH TYR B 87 0.397 15.356 -8.566 1.00 1.51 H new ATOM 2918 N HIS B 88 1.069 14.274 -0.420 1.00 0.59 N ATOM 2919 CA HIS B 88 0.090 15.101 0.319 1.00 0.62 C ATOM 2920 C HIS B 88 -0.134 16.532 -0.230 1.00 0.70 C ATOM 2921 O HIS B 88 -0.630 17.393 0.488 1.00 0.76 O ATOM 2922 CB HIS B 88 0.534 15.196 1.791 1.00 0.65 C ATOM 2923 CG HIS B 88 1.873 15.845 2.006 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.993 15.146 2.401 1.00 2.37 N ATOM 2925 CD2 HIS B 88 2.264 17.139 1.901 1.00 2.40 C ATOM 2926 CE1 HIS B 88 4.010 15.977 2.529 1.00 3.26 C ATOM 2927 NE2 HIS B 88 3.593 17.191 2.231 1.00 3.27 N ATOM 0 H HIS B 88 1.744 13.824 0.199 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.867 14.594 0.198 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.218 15.755 2.347 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.561 14.191 2.213 1.00 0.65 H new ATOM 0 HD1 HIS B 88 3.030 14.141 2.569 1.00 2.37 H new ATOM 0 HD2 HIS B 88 1.643 17.974 1.611 1.00 2.40 H new ATOM 0 HE1 HIS B 88 5.013 15.708 2.827 1.00 3.26 H new ATOM 2936 N THR B 89 0.232 16.798 -1.470 1.00 0.73 N ATOM 2937 CA THR B 89 0.003 18.098 -2.074 1.00 0.81 C ATOM 2938 C THR B 89 -1.474 18.277 -2.444 1.00 0.72 C ATOM 2939 O THR B 89 -2.027 19.364 -2.290 1.00 1.05 O ATOM 2940 CB THR B 89 0.896 18.307 -3.323 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.587 19.553 -3.965 1.00 1.27 O ATOM 2942 CG2 THR B 89 0.732 17.168 -4.320 1.00 0.90 C ATOM 0 H THR B 89 0.693 16.125 -2.083 1.00 0.73 H new ATOM 0 HA THR B 89 0.272 18.852 -1.334 1.00 0.81 H new ATOM 0 HB THR B 89 1.931 18.324 -2.982 1.00 0.97 H new ATOM 0 HG1 THR B 89 -0.194 19.437 -4.545 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.372 17.346 -5.184 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.014 16.227 -3.847 1.00 0.90 H new ATOM 0 HG23 THR B 89 -0.308 17.114 -4.643 1.00 0.90 H new ATOM 2950 N HIS B 90 -2.113 17.211 -2.928 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.526 17.277 -3.318 1.00 0.65 C ATOM 2952 C HIS B 90 -4.265 16.002 -2.952 1.00 0.94 C ATOM 2953 O HIS B 90 -5.413 15.797 -3.351 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.669 17.557 -4.820 1.00 0.91 C ATOM 2955 CG HIS B 90 -3.242 18.939 -5.219 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -2.170 19.190 -6.046 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -3.752 20.152 -4.894 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -2.035 20.492 -6.209 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -2.982 21.101 -5.522 1.00 3.47 N ATOM 0 H HIS B 90 -1.680 16.297 -3.060 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.976 18.101 -2.764 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.077 16.829 -5.374 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.709 17.409 -5.111 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -4.606 20.338 -4.259 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -1.276 20.978 -6.805 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -3.120 22.110 -5.466 1.00 3.47 H new ATOM 2968 N LYS B 91 -3.607 15.146 -2.192 1.00 0.91 N ATOM 2969 CA LYS B 91 -4.264 13.981 -1.628 1.00 1.63 C ATOM 2970 C LYS B 91 -4.321 14.126 -0.114 1.00 2.59 C ATOM 2971 O LYS B 91 -4.661 13.188 0.603 1.00 3.47 O ATOM 2972 CB LYS B 91 -3.551 12.690 -2.043 1.00 1.10 C ATOM 2973 CG LYS B 91 -3.707 12.362 -3.521 1.00 1.28 C ATOM 2974 CD LYS B 91 -2.995 11.071 -3.897 1.00 0.87 C ATOM 2975 CE LYS B 91 -3.058 10.820 -5.397 1.00 0.78 C ATOM 2976 NZ LYS B 91 -4.458 10.749 -5.895 1.00 1.29 N ATOM 0 H LYS B 91 -2.620 15.235 -1.951 1.00 0.91 H new ATOM 0 HA LYS B 91 -5.281 13.917 -2.015 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -2.490 12.778 -1.808 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.941 11.862 -1.451 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -4.766 12.276 -3.763 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -3.309 13.182 -4.118 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -1.954 11.122 -3.578 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.450 10.235 -3.367 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -2.528 11.616 -5.920 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -2.543 9.888 -5.630 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -4.459 10.428 -6.884 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -5.000 10.079 -5.313 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -4.895 11.691 -5.837 1.00 1.29 H new ATOM 2990 N GLU B 92 -4.009 15.333 0.345 1.00 2.69 N ATOM 2991 CA GLU B 92 -4.051 15.681 1.758 1.00 3.81 C ATOM 2992 C GLU B 92 -4.111 17.203 1.877 1.00 4.36 C ATOM 2993 O GLU B 92 -3.053 17.830 2.073 1.00 4.92 O ATOM 2994 CB GLU B 92 -2.811 15.134 2.477 1.00 4.66 C ATOM 2995 CG GLU B 92 -2.980 14.898 3.977 1.00 5.74 C ATOM 2996 CD GLU B 92 -3.126 16.170 4.790 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -2.091 16.769 5.160 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -4.275 16.563 5.082 1.00 7.08 O ATOM 2999 OXT GLU B 92 -5.211 17.773 1.721 1.00 4.64 O ATOM 0 H GLU B 92 -3.718 16.102 -0.259 1.00 2.69 H new ATOM 0 HA GLU B 92 -4.931 15.239 2.226 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -2.524 14.193 2.007 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -1.986 15.830 2.326 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -3.858 14.273 4.139 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -2.119 14.340 4.346 1.00 5.74 H new TER 3006 GLU B 92