USER MOD reduce.3.24.130724 H: found=0, std=0, add=1530, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN :FLIP amide:sc= -11.5! C(o=-17!,f=-16!) USER MOD Set 1.2: B 70 SER OG : rot -129:sc= -4.05! USER MOD Set 2.1: B 1 MET N :NH3+ 152:sc= 0.854 (180deg=0) USER MOD Set 2.2: B 6 ASN :FLIP amide:sc= -5.03! F(o=-5.4,f=-4.2!) USER MOD Set 3.1: A 70 SER OG : rot -131:sc= -5.11! USER MOD Set 3.2: B 51 ASN :FLIP amide:sc= -13.3! C(o=-20!,f=-18!) USER MOD Set 4.1: A 1 MET N :NH3+ 143:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 6 ASN :FLIP amide:sc= -7.6! C(o=-13!,f=-6.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -62:sc= -4.81! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0524) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 19 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-3!) USER MOD Single : A 28 ASN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -83:sc= -0.228 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.0534 (180deg=-0.0953) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -30:sc= -1.98! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.052) USER MOD Single : A 65 ASN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 68 THR OG1 : rot 107:sc= 0.872 USER MOD Single : A 79 SER OG : rot -164:sc= -3.53 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot -61:sc= -4.44! USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -159:sc= -0.177 (180deg=-0.928) USER MOD Single : B 15 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.25) USER MOD Single : B 19 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.3) USER MOD Single : B 28 ASN : amide:sc= 0.179 X(o=0.18,f=0) USER MOD Single : B 29 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.2!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 SER OG : rot 43:sc= 0.166 USER MOD Single : B 45 LYS NZ :NH3+ -172:sc= -0.0437 (180deg=-0.167) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 45:sc= -1.63! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.16) USER MOD Single : B 65 ASN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : B 67 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : B 68 THR OG1 : rot 105:sc= 1.22 USER MOD Single : B 79 SER OG : rot 151:sc= 0.98 USER MOD Single : B 80 TYR OH : rot 180:sc= -0.737 USER MOD Single : B 86 LYS NZ :NH3+ -173:sc= -2.16 (180deg=-2.57!) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.644 -3.067 -10.333 1.00 4.01 N ATOM 2 CA MET A 1 21.572 -2.032 -10.870 1.00 3.21 C ATOM 3 C MET A 1 21.063 -1.546 -12.227 1.00 2.18 C ATOM 4 O MET A 1 21.255 -2.190 -13.240 1.00 2.40 O ATOM 5 CB MET A 1 22.968 -2.638 -11.038 1.00 3.87 C ATOM 6 CG MET A 1 23.792 -1.768 -11.989 1.00 4.69 C ATOM 7 SD MET A 1 25.552 -1.976 -11.625 1.00 5.64 S ATOM 8 CE MET A 1 26.181 -0.847 -12.893 1.00 6.33 C ATOM 0 H1 MET A 1 21.191 -3.801 -9.839 1.00 4.01 H new ATOM 0 H2 MET A 1 19.978 -2.625 -9.668 1.00 4.01 H new ATOM 0 H3 MET A 1 20.114 -3.499 -11.117 1.00 4.01 H new ATOM 0 HA MET A 1 21.620 -1.192 -10.177 1.00 3.21 H new ATOM 0 HB2 MET A 1 23.464 -2.708 -10.070 1.00 3.87 H new ATOM 0 HB3 MET A 1 22.891 -3.652 -11.431 1.00 3.87 H new ATOM 0 HG2 MET A 1 23.588 -2.047 -13.023 1.00 4.69 H new ATOM 0 HG3 MET A 1 23.508 -0.721 -11.879 1.00 4.69 H new ATOM 0 HE1 MET A 1 27.270 -0.820 -12.849 1.00 6.33 H new ATOM 0 HE2 MET A 1 25.866 -1.194 -13.877 1.00 6.33 H new ATOM 0 HE3 MET A 1 25.786 0.154 -12.718 1.00 6.33 H new ATOM 20 N THR A 2 20.414 -0.413 -12.257 1.00 1.58 N ATOM 21 CA THR A 2 19.893 0.115 -13.548 1.00 1.09 C ATOM 22 C THR A 2 19.994 1.635 -13.555 1.00 0.90 C ATOM 23 O THR A 2 19.366 2.308 -14.348 1.00 1.71 O ATOM 24 CB THR A 2 18.435 -0.303 -13.720 1.00 1.87 C ATOM 25 OG1 THR A 2 17.603 0.553 -12.949 1.00 2.53 O ATOM 26 CG2 THR A 2 18.261 -1.746 -13.251 1.00 2.32 C ATOM 0 H THR A 2 20.223 0.169 -11.442 1.00 1.58 H new ATOM 0 HA THR A 2 20.484 -0.290 -14.370 1.00 1.09 H new ATOM 0 HB THR A 2 18.156 -0.228 -14.771 1.00 1.87 H new ATOM 0 HG1 THR A 2 17.830 0.462 -12.000 1.00 2.53 H new ATOM 0 HG21 THR A 2 17.220 -2.045 -13.373 1.00 2.32 H new ATOM 0 HG22 THR A 2 18.899 -2.401 -13.844 1.00 2.32 H new ATOM 0 HG23 THR A 2 18.539 -1.823 -12.200 1.00 2.32 H new ATOM 34 N GLU A 3 20.793 2.179 -12.685 1.00 0.79 N ATOM 35 CA GLU A 3 20.960 3.662 -12.638 1.00 0.55 C ATOM 36 C GLU A 3 19.667 4.313 -12.167 1.00 0.53 C ATOM 37 O GLU A 3 19.667 5.163 -11.302 1.00 0.58 O ATOM 38 CB GLU A 3 21.292 4.185 -14.036 1.00 0.66 C ATOM 39 CG GLU A 3 22.532 5.061 -13.961 1.00 1.13 C ATOM 40 CD GLU A 3 22.749 5.760 -15.304 1.00 1.17 C ATOM 41 OE1 GLU A 3 23.286 5.128 -16.198 1.00 1.60 O ATOM 42 OE2 GLU A 3 22.372 6.915 -15.416 1.00 1.75 O ATOM 0 H GLU A 3 21.342 1.661 -11.999 1.00 0.79 H new ATOM 0 HA GLU A 3 21.768 3.905 -11.947 1.00 0.55 H new ATOM 0 HB2 GLU A 3 21.462 3.352 -14.718 1.00 0.66 H new ATOM 0 HB3 GLU A 3 20.452 4.756 -14.433 1.00 0.66 H new ATOM 0 HG2 GLU A 3 22.419 5.801 -13.169 1.00 1.13 H new ATOM 0 HG3 GLU A 3 23.403 4.455 -13.710 1.00 1.13 H new ATOM 49 N LYS A 4 18.567 3.932 -12.740 1.00 0.59 N ATOM 50 CA LYS A 4 17.274 4.537 -12.319 1.00 0.59 C ATOM 51 C LYS A 4 16.115 3.616 -12.681 1.00 0.59 C ATOM 52 O LYS A 4 15.181 4.016 -13.347 1.00 0.89 O ATOM 53 CB LYS A 4 17.076 5.885 -13.003 1.00 0.54 C ATOM 54 CG LYS A 4 17.163 5.707 -14.518 1.00 1.07 C ATOM 55 CD LYS A 4 18.151 6.715 -15.111 1.00 1.12 C ATOM 56 CE LYS A 4 18.360 6.399 -16.590 1.00 1.71 C ATOM 57 NZ LYS A 4 18.173 7.638 -17.396 1.00 2.24 N ATOM 0 H LYS A 4 18.503 3.231 -13.479 1.00 0.59 H new ATOM 0 HA LYS A 4 17.298 4.678 -11.238 1.00 0.59 H new ATOM 0 HB2 LYS A 4 16.107 6.304 -12.731 1.00 0.54 H new ATOM 0 HB3 LYS A 4 17.835 6.591 -12.665 1.00 0.54 H new ATOM 0 HG2 LYS A 4 17.481 4.692 -14.755 1.00 1.07 H new ATOM 0 HG3 LYS A 4 16.179 5.845 -14.965 1.00 1.07 H new ATOM 0 HD2 LYS A 4 17.769 7.729 -14.993 1.00 1.12 H new ATOM 0 HD3 LYS A 4 19.101 6.668 -14.579 1.00 1.12 H new ATOM 0 HE2 LYS A 4 19.361 5.997 -16.749 1.00 1.71 H new ATOM 0 HE3 LYS A 4 17.654 5.633 -16.912 1.00 1.71 H new ATOM 0 HZ1 LYS A 4 18.316 7.422 -18.403 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 17.210 8.003 -17.253 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 18.863 8.355 -17.095 1.00 2.24 H new ATOM 71 N LEU A 5 16.152 2.395 -12.237 1.00 0.58 N ATOM 72 CA LEU A 5 15.028 1.471 -12.553 1.00 0.62 C ATOM 73 C LEU A 5 15.210 0.151 -11.786 1.00 0.75 C ATOM 74 O LEU A 5 15.154 -0.922 -12.351 1.00 1.54 O ATOM 75 CB LEU A 5 14.988 1.200 -14.067 1.00 0.73 C ATOM 76 CG LEU A 5 13.535 1.061 -14.534 1.00 1.02 C ATOM 77 CD1 LEU A 5 13.507 0.834 -16.047 1.00 1.39 C ATOM 78 CD2 LEU A 5 12.877 -0.128 -13.832 1.00 1.67 C ATOM 0 H LEU A 5 16.904 1.997 -11.674 1.00 0.58 H new ATOM 0 HA LEU A 5 14.087 1.931 -12.250 1.00 0.62 H new ATOM 0 HB2 LEU A 5 15.475 2.014 -14.604 1.00 0.73 H new ATOM 0 HB3 LEU A 5 15.542 0.290 -14.297 1.00 0.73 H new ATOM 0 HG LEU A 5 12.990 1.972 -14.288 1.00 1.02 H new ATOM 0 HD11 LEU A 5 12.474 0.735 -16.381 1.00 1.39 H new ATOM 0 HD12 LEU A 5 13.972 1.682 -16.551 1.00 1.39 H new ATOM 0 HD13 LEU A 5 14.055 -0.077 -16.289 1.00 1.39 H new ATOM 0 HD21 LEU A 5 11.844 -0.223 -14.167 1.00 1.67 H new ATOM 0 HD22 LEU A 5 13.422 -1.040 -14.074 1.00 1.67 H new ATOM 0 HD23 LEU A 5 12.895 0.030 -12.754 1.00 1.67 H new ATOM 90 N ASN A 6 15.452 0.220 -10.508 1.00 0.26 N ATOM 91 CA ASN A 6 15.668 -1.026 -9.721 1.00 0.26 C ATOM 92 C ASN A 6 14.366 -1.546 -9.143 1.00 0.24 C ATOM 93 O ASN A 6 13.770 -0.926 -8.287 1.00 0.26 O ATOM 94 CB ASN A 6 16.595 -0.732 -8.553 1.00 0.35 C ATOM 95 CG ASN A 6 18.037 -1.060 -8.938 1.00 0.93 C ATOM 96 OD1 ASN A 6 18.493 -2.266 -8.740 1.00 1.72 O flip ATOM 97 ND2 ASN A 6 18.754 -0.213 -9.424 1.00 1.39 N flip ATOM 0 H ASN A 6 15.510 1.086 -9.973 1.00 0.26 H new ATOM 0 HA ASN A 6 16.094 -1.770 -10.394 1.00 0.26 H new ATOM 0 HB2 ASN A 6 16.515 0.317 -8.269 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.298 -1.321 -7.685 1.00 0.35 H new ATOM 0 HD21 ASN A 6 18.397 0.730 -9.579 1.00 1.39 H new ATOM 0 HD22 ASN A 6 19.715 -0.443 -9.679 1.00 1.39 H new ATOM 104 N GLU A 7 13.945 -2.700 -9.554 1.00 0.25 N ATOM 105 CA GLU A 7 12.712 -3.269 -8.972 1.00 0.28 C ATOM 106 C GLU A 7 13.136 -4.140 -7.794 1.00 0.28 C ATOM 107 O GLU A 7 13.841 -5.115 -7.963 1.00 0.30 O ATOM 108 CB GLU A 7 11.973 -4.092 -10.024 1.00 0.35 C ATOM 109 CG GLU A 7 12.756 -5.368 -10.338 1.00 0.44 C ATOM 110 CD GLU A 7 12.378 -5.868 -11.733 1.00 0.75 C ATOM 111 OE1 GLU A 7 12.897 -5.326 -12.695 1.00 1.44 O ATOM 112 OE2 GLU A 7 11.577 -6.784 -11.816 1.00 1.12 O ATOM 0 H GLU A 7 14.400 -3.272 -10.266 1.00 0.25 H new ATOM 0 HA GLU A 7 12.033 -2.485 -8.636 1.00 0.28 H new ATOM 0 HB2 GLU A 7 10.976 -4.347 -9.663 1.00 0.35 H new ATOM 0 HB3 GLU A 7 11.843 -3.503 -10.932 1.00 0.35 H new ATOM 0 HG2 GLU A 7 13.827 -5.172 -10.288 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.537 -6.134 -9.594 1.00 0.44 H new ATOM 119 N ILE A 8 12.744 -3.773 -6.599 1.00 0.28 N ATOM 120 CA ILE A 8 13.171 -4.576 -5.399 1.00 0.31 C ATOM 121 C ILE A 8 11.976 -5.224 -4.702 1.00 0.28 C ATOM 122 O ILE A 8 10.919 -4.650 -4.570 1.00 0.28 O ATOM 123 CB ILE A 8 13.900 -3.676 -4.404 1.00 0.35 C ATOM 124 CG1 ILE A 8 15.017 -2.919 -5.122 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.508 -4.528 -3.282 1.00 0.56 C ATOM 126 CD1 ILE A 8 15.733 -1.998 -4.130 1.00 1.11 C ATOM 0 H ILE A 8 12.155 -2.965 -6.398 1.00 0.28 H new ATOM 0 HA ILE A 8 13.836 -5.365 -5.750 1.00 0.31 H new ATOM 0 HB ILE A 8 13.191 -2.967 -3.978 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.726 -3.623 -5.557 1.00 0.42 H new ATOM 0 HG13 ILE A 8 14.604 -2.334 -5.944 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.027 -3.881 -2.575 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.715 -5.068 -2.765 1.00 0.56 H new ATOM 0 HG23 ILE A 8 15.214 -5.240 -3.708 1.00 0.56 H new ATOM 0 HD11 ILE A 8 16.529 -1.459 -4.643 1.00 1.11 H new ATOM 0 HD12 ILE A 8 15.020 -1.285 -3.716 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.160 -2.594 -3.323 1.00 1.11 H new ATOM 138 N VAL A 9 12.157 -6.436 -4.271 1.00 0.28 N ATOM 139 CA VAL A 9 11.072 -7.180 -3.577 1.00 0.27 C ATOM 140 C VAL A 9 11.380 -7.272 -2.083 1.00 0.24 C ATOM 141 O VAL A 9 12.428 -7.739 -1.683 1.00 0.25 O ATOM 142 CB VAL A 9 10.967 -8.590 -4.162 1.00 0.30 C ATOM 143 CG1 VAL A 9 12.371 -9.159 -4.380 1.00 1.35 C ATOM 144 CG2 VAL A 9 10.200 -9.490 -3.191 1.00 1.27 C ATOM 0 H VAL A 9 13.029 -6.955 -4.372 1.00 0.28 H new ATOM 0 HA VAL A 9 10.128 -6.653 -3.718 1.00 0.27 H new ATOM 0 HB VAL A 9 10.439 -8.548 -5.115 1.00 0.30 H new ATOM 0 HG11 VAL A 9 12.296 -10.163 -4.797 1.00 1.35 H new ATOM 0 HG12 VAL A 9 12.919 -8.519 -5.071 1.00 1.35 H new ATOM 0 HG13 VAL A 9 12.899 -9.200 -3.427 1.00 1.35 H new ATOM 0 HG21 VAL A 9 10.125 -10.494 -3.608 1.00 1.27 H new ATOM 0 HG22 VAL A 9 10.728 -9.531 -2.238 1.00 1.27 H new ATOM 0 HG23 VAL A 9 9.200 -9.087 -3.034 1.00 1.27 H new ATOM 154 N VAL A 10 10.476 -6.828 -1.259 1.00 0.23 N ATOM 155 CA VAL A 10 10.726 -6.891 0.205 1.00 0.22 C ATOM 156 C VAL A 10 10.208 -8.237 0.705 1.00 0.20 C ATOM 157 O VAL A 10 9.483 -8.920 0.009 1.00 0.20 O ATOM 158 CB VAL A 10 9.997 -5.734 0.909 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.535 -6.121 1.147 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.660 -5.438 2.258 1.00 0.39 C ATOM 0 H VAL A 10 9.580 -6.426 -1.534 1.00 0.23 H new ATOM 0 HA VAL A 10 11.790 -6.796 0.421 1.00 0.22 H new ATOM 0 HB VAL A 10 10.050 -4.847 0.277 1.00 0.23 H new ATOM 0 HG11 VAL A 10 8.018 -5.301 1.646 1.00 0.33 H new ATOM 0 HG12 VAL A 10 8.053 -6.326 0.191 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.492 -7.012 1.774 1.00 0.33 H new ATOM 0 HG21 VAL A 10 10.136 -4.617 2.748 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.614 -6.326 2.889 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.702 -5.160 2.098 1.00 0.39 H new ATOM 170 N ARG A 11 10.583 -8.638 1.892 1.00 0.20 N ATOM 171 CA ARG A 11 10.119 -9.958 2.415 1.00 0.19 C ATOM 172 C ARG A 11 9.785 -9.834 3.898 1.00 0.22 C ATOM 173 O ARG A 11 9.994 -8.806 4.511 1.00 0.22 O ATOM 174 CB ARG A 11 11.217 -11.020 2.256 1.00 0.20 C ATOM 175 CG ARG A 11 12.253 -10.586 1.217 1.00 0.30 C ATOM 176 CD ARG A 11 13.089 -11.796 0.801 1.00 0.34 C ATOM 177 NE ARG A 11 14.063 -11.393 -0.253 1.00 1.17 N ATOM 178 CZ ARG A 11 13.693 -11.347 -1.506 1.00 1.42 C ATOM 179 NH1 ARG A 11 12.465 -11.643 -1.839 1.00 1.51 N ATOM 180 NH2 ARG A 11 14.551 -11.003 -2.425 1.00 2.27 N ATOM 0 H ARG A 11 11.189 -8.110 2.520 1.00 0.20 H new ATOM 0 HA ARG A 11 9.237 -10.257 1.848 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.707 -11.188 3.215 1.00 0.20 H new ATOM 0 HB3 ARG A 11 10.770 -11.968 1.956 1.00 0.20 H new ATOM 0 HG2 ARG A 11 11.755 -10.157 0.347 1.00 0.30 H new ATOM 0 HG3 ARG A 11 12.897 -9.810 1.631 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.618 -12.199 1.664 1.00 0.34 H new ATOM 0 HD3 ARG A 11 12.440 -12.588 0.427 1.00 0.34 H new ATOM 0 HE ARG A 11 15.020 -11.153 0.004 1.00 1.17 H new ATOM 0 HH11 ARG A 11 11.792 -11.911 -1.121 1.00 1.51 H new ATOM 0 HH12 ARG A 11 12.179 -11.606 -2.817 1.00 1.51 H new ATOM 0 HH21 ARG A 11 15.510 -10.770 -2.166 1.00 2.27 H new ATOM 0 HH22 ARG A 11 14.264 -10.967 -3.403 1.00 2.27 H new ATOM 194 N LYS A 12 9.277 -10.886 4.477 1.00 0.27 N ATOM 195 CA LYS A 12 8.931 -10.861 5.921 1.00 0.32 C ATOM 196 C LYS A 12 10.016 -11.581 6.702 1.00 0.35 C ATOM 197 O LYS A 12 10.056 -11.538 7.915 1.00 0.43 O ATOM 198 CB LYS A 12 7.620 -11.597 6.130 1.00 0.35 C ATOM 199 CG LYS A 12 7.794 -13.059 5.722 1.00 0.38 C ATOM 200 CD LYS A 12 6.484 -13.593 5.139 1.00 1.05 C ATOM 201 CE LYS A 12 6.612 -15.097 4.889 1.00 1.03 C ATOM 202 NZ LYS A 12 7.505 -15.333 3.720 1.00 1.78 N ATOM 0 H LYS A 12 9.086 -11.770 4.005 1.00 0.27 H new ATOM 0 HA LYS A 12 8.842 -9.829 6.260 1.00 0.32 H new ATOM 0 HB2 LYS A 12 7.315 -11.532 7.175 1.00 0.35 H new ATOM 0 HB3 LYS A 12 6.831 -11.133 5.538 1.00 0.35 H new ATOM 0 HG2 LYS A 12 8.593 -13.148 4.986 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.088 -13.655 6.586 1.00 0.38 H new ATOM 0 HD2 LYS A 12 5.661 -13.397 5.826 1.00 1.05 H new ATOM 0 HD3 LYS A 12 6.251 -13.077 4.207 1.00 1.05 H new ATOM 0 HE2 LYS A 12 7.015 -15.590 5.773 1.00 1.03 H new ATOM 0 HE3 LYS A 12 5.629 -15.530 4.703 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 7.485 -16.341 3.466 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 7.177 -14.766 2.912 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 8.477 -15.057 3.965 1.00 1.78 H new ATOM 216 N THR A 13 10.906 -12.238 6.016 1.00 0.34 N ATOM 217 CA THR A 13 11.994 -12.950 6.727 1.00 0.44 C ATOM 218 C THR A 13 13.168 -11.989 6.865 1.00 0.58 C ATOM 219 O THR A 13 14.130 -12.246 7.561 1.00 1.08 O ATOM 220 CB THR A 13 12.422 -14.181 5.925 1.00 0.48 C ATOM 221 OG1 THR A 13 13.221 -15.023 6.746 1.00 1.24 O ATOM 222 CG2 THR A 13 13.230 -13.747 4.700 1.00 1.01 C ATOM 0 H THR A 13 10.925 -12.311 4.999 1.00 0.34 H new ATOM 0 HA THR A 13 11.654 -13.280 7.709 1.00 0.44 H new ATOM 0 HB THR A 13 11.536 -14.723 5.596 1.00 0.48 H new ATOM 0 HG1 THR A 13 13.495 -15.813 6.235 1.00 1.24 H new ATOM 0 HG21 THR A 13 13.532 -14.627 4.133 1.00 1.01 H new ATOM 0 HG22 THR A 13 12.617 -13.102 4.070 1.00 1.01 H new ATOM 0 HG23 THR A 13 14.117 -13.202 5.023 1.00 1.01 H new ATOM 230 N LYS A 14 13.061 -10.859 6.226 1.00 0.35 N ATOM 231 CA LYS A 14 14.114 -9.823 6.316 1.00 0.43 C ATOM 232 C LYS A 14 13.694 -8.833 7.419 1.00 0.57 C ATOM 233 O LYS A 14 13.297 -9.237 8.494 1.00 1.34 O ATOM 234 CB LYS A 14 14.212 -9.153 4.926 1.00 0.39 C ATOM 235 CG LYS A 14 15.676 -8.964 4.487 1.00 0.60 C ATOM 236 CD LYS A 14 15.773 -9.152 2.973 1.00 0.86 C ATOM 237 CE LYS A 14 15.911 -10.641 2.661 1.00 1.06 C ATOM 238 NZ LYS A 14 17.349 -11.028 2.728 1.00 1.41 N ATOM 0 H LYS A 14 12.269 -10.609 5.634 1.00 0.35 H new ATOM 0 HA LYS A 14 15.094 -10.223 6.576 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.687 -9.763 4.190 1.00 0.39 H new ATOM 0 HB3 LYS A 14 13.712 -8.185 4.953 1.00 0.39 H new ATOM 0 HG2 LYS A 14 16.027 -7.970 4.766 1.00 0.60 H new ATOM 0 HG3 LYS A 14 16.317 -9.683 4.997 1.00 0.60 H new ATOM 0 HD2 LYS A 14 14.886 -8.747 2.486 1.00 0.86 H new ATOM 0 HD3 LYS A 14 16.630 -8.605 2.580 1.00 0.86 H new ATOM 0 HE2 LYS A 14 15.331 -11.229 3.373 1.00 1.06 H new ATOM 0 HE3 LYS A 14 15.511 -10.855 1.670 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 17.446 -12.042 2.516 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 17.890 -10.475 2.033 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 17.716 -10.837 3.682 1.00 1.41 H new ATOM 252 N ASN A 15 13.761 -7.553 7.175 1.00 0.43 N ATOM 253 CA ASN A 15 13.345 -6.579 8.222 1.00 0.33 C ATOM 254 C ASN A 15 13.130 -5.208 7.583 1.00 0.24 C ATOM 255 O ASN A 15 13.618 -4.925 6.506 1.00 0.24 O ATOM 256 CB ASN A 15 14.430 -6.479 9.294 1.00 0.47 C ATOM 257 CG ASN A 15 13.847 -6.885 10.650 1.00 0.56 C ATOM 258 OD1 ASN A 15 13.978 -8.020 11.065 1.00 1.23 O ATOM 259 ND2 ASN A 15 13.206 -6.001 11.363 1.00 1.25 N ATOM 0 H ASN A 15 14.084 -7.141 6.300 1.00 0.43 H new ATOM 0 HA ASN A 15 12.416 -6.917 8.682 1.00 0.33 H new ATOM 0 HB2 ASN A 15 15.269 -7.126 9.039 1.00 0.47 H new ATOM 0 HB3 ASN A 15 14.816 -5.461 9.342 1.00 0.47 H new ATOM 0 HD21 ASN A 15 12.815 -6.262 12.268 1.00 1.25 H new ATOM 0 HD22 ASN A 15 13.096 -5.048 11.016 1.00 1.25 H new ATOM 266 N VAL A 16 12.391 -4.358 8.239 1.00 0.24 N ATOM 267 CA VAL A 16 12.127 -3.007 7.675 1.00 0.22 C ATOM 268 C VAL A 16 13.445 -2.260 7.521 1.00 0.23 C ATOM 269 O VAL A 16 13.692 -1.587 6.535 1.00 0.25 O ATOM 270 CB VAL A 16 11.228 -2.216 8.630 1.00 0.29 C ATOM 271 CG1 VAL A 16 9.955 -3.011 8.925 1.00 0.31 C ATOM 272 CG2 VAL A 16 11.978 -1.958 9.939 1.00 0.49 C ATOM 0 H VAL A 16 11.958 -4.542 9.144 1.00 0.24 H new ATOM 0 HA VAL A 16 11.637 -3.113 6.707 1.00 0.22 H new ATOM 0 HB VAL A 16 10.960 -1.267 8.166 1.00 0.29 H new ATOM 0 HG11 VAL A 16 9.320 -2.443 9.605 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.417 -3.195 7.995 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.219 -3.963 9.386 1.00 0.31 H new ATOM 0 HG21 VAL A 16 11.339 -1.395 10.619 1.00 0.49 H new ATOM 0 HG22 VAL A 16 12.247 -2.909 10.398 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.882 -1.385 9.733 1.00 0.49 H new ATOM 282 N GLU A 17 14.305 -2.385 8.483 1.00 0.27 N ATOM 283 CA GLU A 17 15.602 -1.686 8.396 1.00 0.33 C ATOM 284 C GLU A 17 16.511 -2.454 7.456 1.00 0.34 C ATOM 285 O GLU A 17 17.339 -1.883 6.783 1.00 0.37 O ATOM 286 CB GLU A 17 16.233 -1.580 9.789 1.00 0.39 C ATOM 287 CG GLU A 17 17.157 -2.773 10.057 1.00 0.86 C ATOM 288 CD GLU A 17 17.455 -2.858 11.554 1.00 1.03 C ATOM 289 OE1 GLU A 17 18.068 -1.939 12.070 1.00 1.41 O ATOM 290 OE2 GLU A 17 17.063 -3.843 12.161 1.00 1.56 O ATOM 0 H GLU A 17 14.164 -2.942 9.326 1.00 0.27 H new ATOM 0 HA GLU A 17 15.455 -0.677 8.011 1.00 0.33 H new ATOM 0 HB2 GLU A 17 16.798 -0.651 9.868 1.00 0.39 H new ATOM 0 HB3 GLU A 17 15.450 -1.543 10.546 1.00 0.39 H new ATOM 0 HG2 GLU A 17 16.687 -3.695 9.716 1.00 0.86 H new ATOM 0 HG3 GLU A 17 18.085 -2.662 9.496 1.00 0.86 H new ATOM 297 N ASP A 18 16.390 -3.748 7.401 1.00 0.35 N ATOM 298 CA ASP A 18 17.274 -4.529 6.515 1.00 0.38 C ATOM 299 C ASP A 18 17.059 -4.154 5.054 1.00 0.35 C ATOM 300 O ASP A 18 17.993 -4.197 4.274 1.00 0.34 O ATOM 301 CB ASP A 18 16.965 -6.009 6.715 1.00 0.46 C ATOM 302 CG ASP A 18 18.007 -6.857 5.985 1.00 0.66 C ATOM 303 OD1 ASP A 18 18.628 -6.340 5.072 1.00 1.27 O ATOM 304 OD2 ASP A 18 18.168 -8.008 6.356 1.00 1.38 O ATOM 0 H ASP A 18 15.714 -4.295 7.935 1.00 0.35 H new ATOM 0 HA ASP A 18 18.313 -4.314 6.765 1.00 0.38 H new ATOM 0 HB2 ASP A 18 16.966 -6.250 7.778 1.00 0.46 H new ATOM 0 HB3 ASP A 18 15.968 -6.236 6.338 1.00 0.46 H new ATOM 309 N HIS A 19 15.873 -3.761 4.644 1.00 0.34 N ATOM 310 CA HIS A 19 15.687 -3.378 3.221 1.00 0.33 C ATOM 311 C HIS A 19 15.840 -1.864 3.106 1.00 0.28 C ATOM 312 O HIS A 19 16.107 -1.341 2.045 1.00 0.27 O ATOM 313 CB HIS A 19 14.286 -3.784 2.758 1.00 0.36 C ATOM 314 CG HIS A 19 14.381 -4.985 1.858 1.00 0.53 C ATOM 315 ND1 HIS A 19 14.767 -4.887 0.528 1.00 1.22 N ATOM 316 CD2 HIS A 19 14.141 -6.317 2.081 1.00 1.43 C ATOM 317 CE1 HIS A 19 14.747 -6.128 0.007 1.00 1.27 C ATOM 318 NE2 HIS A 19 14.373 -7.032 0.913 1.00 1.40 N ATOM 0 H HIS A 19 15.041 -3.692 5.231 1.00 0.34 H new ATOM 0 HA HIS A 19 16.427 -3.881 2.599 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.659 -4.011 3.620 1.00 0.36 H new ATOM 0 HB3 HIS A 19 13.813 -2.957 2.229 1.00 0.36 H new ATOM 0 HD1 HIS A 19 15.020 -4.030 0.035 1.00 1.22 H new ATOM 0 HD2 HIS A 19 13.821 -6.744 3.020 1.00 1.43 H new ATOM 0 HE1 HIS A 19 15.002 -6.362 -1.016 1.00 1.27 H new ATOM 327 N VAL A 20 15.749 -1.154 4.206 1.00 0.26 N ATOM 328 CA VAL A 20 15.980 0.311 4.128 1.00 0.24 C ATOM 329 C VAL A 20 17.486 0.449 3.954 1.00 0.23 C ATOM 330 O VAL A 20 17.994 1.341 3.306 1.00 0.22 O ATOM 331 CB VAL A 20 15.489 1.001 5.419 1.00 0.25 C ATOM 332 CG1 VAL A 20 16.658 1.332 6.355 1.00 0.29 C ATOM 333 CG2 VAL A 20 14.763 2.293 5.055 1.00 0.29 C ATOM 0 H VAL A 20 15.529 -1.521 5.132 1.00 0.26 H new ATOM 0 HA VAL A 20 15.436 0.785 3.311 1.00 0.24 H new ATOM 0 HB VAL A 20 14.817 0.316 5.936 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.278 1.817 7.254 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.176 0.413 6.629 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.352 2.002 5.847 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.415 2.783 5.964 1.00 0.29 H new ATOM 0 HG22 VAL A 20 15.445 2.956 4.524 1.00 0.29 H new ATOM 0 HG23 VAL A 20 13.910 2.063 4.417 1.00 0.29 H new ATOM 343 N LEU A 21 18.182 -0.484 4.541 1.00 0.25 N ATOM 344 CA LEU A 21 19.663 -0.522 4.455 1.00 0.27 C ATOM 345 C LEU A 21 20.071 -0.904 3.031 1.00 0.27 C ATOM 346 O LEU A 21 20.846 -0.222 2.385 1.00 0.28 O ATOM 347 CB LEU A 21 20.188 -1.590 5.417 1.00 0.32 C ATOM 348 CG LEU A 21 20.222 -1.046 6.853 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.557 -2.184 7.819 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.286 0.052 6.983 1.00 0.34 C ATOM 0 H LEU A 21 17.772 -1.240 5.090 1.00 0.25 H new ATOM 0 HA LEU A 21 20.074 0.454 4.714 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.552 -2.474 5.371 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.188 -1.901 5.115 1.00 0.32 H new ATOM 0 HG LEU A 21 19.245 -0.626 7.093 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.582 -1.800 8.839 1.00 0.41 H new ATOM 0 HD12 LEU A 21 19.797 -2.962 7.742 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.531 -2.602 7.565 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.298 0.428 8.006 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.265 -0.359 6.736 1.00 0.34 H new ATOM 0 HD23 LEU A 21 21.052 0.868 6.300 1.00 0.34 H new ATOM 362 N ASP A 22 19.545 -1.989 2.531 1.00 0.28 N ATOM 363 CA ASP A 22 19.903 -2.411 1.148 1.00 0.31 C ATOM 364 C ASP A 22 19.344 -1.402 0.140 1.00 0.29 C ATOM 365 O ASP A 22 19.890 -1.204 -0.927 1.00 0.31 O ATOM 366 CB ASP A 22 19.311 -3.794 0.867 1.00 0.36 C ATOM 367 CG ASP A 22 19.893 -4.343 -0.437 1.00 0.44 C ATOM 368 OD1 ASP A 22 20.797 -3.720 -0.968 1.00 1.22 O ATOM 369 OD2 ASP A 22 19.425 -5.378 -0.883 1.00 1.01 O ATOM 0 H ASP A 22 18.887 -2.598 3.017 1.00 0.28 H new ATOM 0 HA ASP A 22 20.988 -2.453 1.053 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.535 -4.471 1.691 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.225 -3.729 0.794 1.00 0.36 H new ATOM 374 N VAL A 23 18.254 -0.767 0.469 1.00 0.27 N ATOM 375 CA VAL A 23 17.662 0.226 -0.473 1.00 0.27 C ATOM 376 C VAL A 23 18.574 1.453 -0.540 1.00 0.26 C ATOM 377 O VAL A 23 19.003 1.867 -1.603 1.00 0.26 O ATOM 378 CB VAL A 23 16.273 0.640 0.021 1.00 0.28 C ATOM 379 CG1 VAL A 23 15.827 1.917 -0.699 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.273 -0.480 -0.277 1.00 0.32 C ATOM 0 H VAL A 23 17.748 -0.891 1.346 1.00 0.27 H new ATOM 0 HA VAL A 23 17.568 -0.217 -1.465 1.00 0.27 H new ATOM 0 HB VAL A 23 16.313 0.823 1.095 1.00 0.28 H new ATOM 0 HG11 VAL A 23 14.838 2.208 -0.345 1.00 0.31 H new ATOM 0 HG12 VAL A 23 16.537 2.718 -0.492 1.00 0.31 H new ATOM 0 HG13 VAL A 23 15.788 1.735 -1.773 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.283 -0.187 0.074 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.238 -0.660 -1.351 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.584 -1.391 0.234 1.00 0.32 H new ATOM 390 N ILE A 24 18.880 2.037 0.586 1.00 0.25 N ATOM 391 CA ILE A 24 19.767 3.228 0.580 1.00 0.26 C ATOM 392 C ILE A 24 21.119 2.834 -0.006 1.00 0.26 C ATOM 393 O ILE A 24 21.872 3.668 -0.469 1.00 0.28 O ATOM 394 CB ILE A 24 19.934 3.762 2.010 1.00 0.30 C ATOM 395 CG1 ILE A 24 20.085 5.284 1.964 1.00 0.57 C ATOM 396 CG2 ILE A 24 21.174 3.150 2.669 1.00 0.45 C ATOM 397 CD1 ILE A 24 20.436 5.806 3.358 1.00 0.58 C ATOM 0 H ILE A 24 18.554 1.740 1.506 1.00 0.25 H new ATOM 0 HA ILE A 24 19.327 4.017 -0.030 1.00 0.26 H new ATOM 0 HB ILE A 24 19.055 3.490 2.594 1.00 0.30 H new ATOM 0 HG12 ILE A 24 20.864 5.561 1.254 1.00 0.57 H new ATOM 0 HG13 ILE A 24 19.159 5.741 1.616 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.277 3.539 3.682 1.00 0.45 H new ATOM 0 HG22 ILE A 24 21.069 2.066 2.706 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.060 3.409 2.089 1.00 0.45 H new ATOM 0 HD11 ILE A 24 20.543 6.890 3.324 1.00 0.58 H new ATOM 0 HD12 ILE A 24 19.642 5.542 4.056 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.373 5.359 3.689 1.00 0.58 H new ATOM 409 N VAL A 25 21.433 1.565 -0.009 1.00 0.26 N ATOM 410 CA VAL A 25 22.733 1.137 -0.591 1.00 0.29 C ATOM 411 C VAL A 25 22.663 1.263 -2.116 1.00 0.29 C ATOM 412 O VAL A 25 23.605 1.687 -2.754 1.00 0.31 O ATOM 413 CB VAL A 25 23.023 -0.316 -0.206 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.063 -0.900 -1.163 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.565 -0.363 1.225 1.00 0.36 C ATOM 0 H VAL A 25 20.850 0.815 0.363 1.00 0.26 H new ATOM 0 HA VAL A 25 23.532 1.770 -0.205 1.00 0.29 H new ATOM 0 HB VAL A 25 22.104 -0.899 -0.268 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.269 -1.935 -0.889 1.00 0.41 H new ATOM 0 HG12 VAL A 25 23.680 -0.864 -2.183 1.00 0.41 H new ATOM 0 HG13 VAL A 25 24.982 -0.318 -1.101 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.772 -1.397 1.502 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.484 0.220 1.285 1.00 0.36 H new ATOM 0 HG23 VAL A 25 22.825 0.054 1.908 1.00 0.36 H new ATOM 425 N LEU A 26 21.558 0.895 -2.716 1.00 0.29 N ATOM 426 CA LEU A 26 21.438 0.998 -4.199 1.00 0.32 C ATOM 427 C LEU A 26 21.416 2.474 -4.622 1.00 0.32 C ATOM 428 O LEU A 26 21.981 2.856 -5.632 1.00 0.35 O ATOM 429 CB LEU A 26 20.141 0.307 -4.628 1.00 0.36 C ATOM 430 CG LEU A 26 20.420 -1.170 -4.930 1.00 0.65 C ATOM 431 CD1 LEU A 26 19.150 -1.991 -4.704 1.00 0.49 C ATOM 432 CD2 LEU A 26 20.867 -1.325 -6.386 1.00 1.19 C ATOM 0 H LEU A 26 20.734 0.528 -2.240 1.00 0.29 H new ATOM 0 HA LEU A 26 22.291 0.517 -4.678 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.394 0.392 -3.839 1.00 0.36 H new ATOM 0 HB3 LEU A 26 19.730 0.798 -5.510 1.00 0.36 H new ATOM 0 HG LEU A 26 21.208 -1.526 -4.267 1.00 0.65 H new ATOM 0 HD11 LEU A 26 19.352 -3.040 -4.920 1.00 0.49 H new ATOM 0 HD12 LEU A 26 18.830 -1.889 -3.667 1.00 0.49 H new ATOM 0 HD13 LEU A 26 18.361 -1.630 -5.364 1.00 0.49 H new ATOM 0 HD21 LEU A 26 21.064 -2.376 -6.596 1.00 1.19 H new ATOM 0 HD22 LEU A 26 20.080 -0.964 -7.049 1.00 1.19 H new ATOM 0 HD23 LEU A 26 21.775 -0.745 -6.551 1.00 1.19 H new ATOM 444 N PHE A 27 20.791 3.314 -3.843 1.00 0.31 N ATOM 445 CA PHE A 27 20.774 4.764 -4.191 1.00 0.33 C ATOM 446 C PHE A 27 22.220 5.247 -4.185 1.00 0.34 C ATOM 447 O PHE A 27 22.589 6.201 -4.841 1.00 0.37 O ATOM 448 CB PHE A 27 19.967 5.539 -3.150 1.00 0.35 C ATOM 449 CG PHE A 27 20.445 6.971 -3.111 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.247 7.803 -4.219 1.00 1.38 C ATOM 451 CD2 PHE A 27 21.088 7.466 -1.969 1.00 1.19 C ATOM 452 CE1 PHE A 27 20.691 9.131 -4.186 1.00 1.46 C ATOM 453 CE2 PHE A 27 21.533 8.794 -1.938 1.00 1.22 C ATOM 454 CZ PHE A 27 21.333 9.626 -3.045 1.00 0.71 C ATOM 0 H PHE A 27 20.295 3.063 -2.988 1.00 0.31 H new ATOM 0 HA PHE A 27 20.315 4.922 -5.167 1.00 0.33 H new ATOM 0 HB2 PHE A 27 18.906 5.505 -3.397 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.081 5.079 -2.169 1.00 0.35 H new ATOM 0 HD1 PHE A 27 19.752 7.421 -5.099 1.00 1.38 H new ATOM 0 HD2 PHE A 27 21.240 6.825 -1.114 1.00 1.19 H new ATOM 0 HE1 PHE A 27 20.538 9.773 -5.041 1.00 1.46 H new ATOM 0 HE2 PHE A 27 22.031 9.176 -1.059 1.00 1.22 H new ATOM 0 HZ PHE A 27 21.674 10.650 -3.019 1.00 0.71 H new ATOM 464 N ASN A 28 23.034 4.556 -3.445 1.00 0.33 N ATOM 465 CA ASN A 28 24.476 4.914 -3.369 1.00 0.36 C ATOM 466 C ASN A 28 25.114 4.717 -4.745 1.00 0.38 C ATOM 467 O ASN A 28 26.090 5.359 -5.083 1.00 0.41 O ATOM 468 CB ASN A 28 25.175 4.020 -2.347 1.00 0.35 C ATOM 469 CG ASN A 28 26.156 4.856 -1.525 1.00 0.39 C ATOM 470 OD1 ASN A 28 26.125 4.830 -0.310 1.00 1.15 O ATOM 471 ND2 ASN A 28 27.034 5.601 -2.138 1.00 0.98 N ATOM 0 H ASN A 28 22.761 3.750 -2.883 1.00 0.33 H new ATOM 0 HA ASN A 28 24.579 5.955 -3.062 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.439 3.555 -1.691 1.00 0.35 H new ATOM 0 HB3 ASN A 28 25.704 3.214 -2.855 1.00 0.35 H new ATOM 0 HD21 ASN A 28 27.694 6.161 -1.598 1.00 0.98 H new ATOM 0 HD22 ASN A 28 27.061 5.624 -3.157 1.00 0.98 H new ATOM 478 N GLN A 29 24.575 3.832 -5.544 1.00 0.38 N ATOM 479 CA GLN A 29 25.156 3.598 -6.895 1.00 0.40 C ATOM 480 C GLN A 29 24.506 4.548 -7.903 1.00 0.43 C ATOM 481 O GLN A 29 24.857 4.565 -9.066 1.00 0.51 O ATOM 482 CB GLN A 29 24.896 2.149 -7.317 1.00 0.40 C ATOM 483 CG GLN A 29 25.427 1.200 -6.241 1.00 0.38 C ATOM 484 CD GLN A 29 25.194 -0.247 -6.676 1.00 0.40 C ATOM 485 OE1 GLN A 29 24.090 -0.617 -7.027 1.00 1.17 O ATOM 486 NE2 GLN A 29 26.192 -1.088 -6.670 1.00 1.10 N ATOM 0 H GLN A 29 23.759 3.263 -5.318 1.00 0.38 H new ATOM 0 HA GLN A 29 26.230 3.781 -6.865 1.00 0.40 H new ATOM 0 HB2 GLN A 29 23.828 1.988 -7.464 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.383 1.944 -8.270 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.491 1.375 -6.079 1.00 0.38 H new ATOM 0 HG3 GLN A 29 24.925 1.391 -5.293 1.00 0.38 H new ATOM 0 HE21 GLN A 29 27.118 -0.778 -6.376 1.00 1.10 H new ATOM 0 HE22 GLN A 29 26.046 -2.055 -6.960 1.00 1.10 H new ATOM 495 N GLY A 30 23.562 5.338 -7.460 1.00 0.39 N ATOM 496 CA GLY A 30 22.881 6.296 -8.381 1.00 0.42 C ATOM 497 C GLY A 30 21.456 5.818 -8.669 1.00 0.37 C ATOM 498 O GLY A 30 20.797 6.311 -9.563 1.00 0.39 O ATOM 0 H GLY A 30 23.232 5.361 -6.495 1.00 0.39 H new ATOM 0 HA2 GLY A 30 22.857 7.290 -7.933 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.441 6.379 -9.312 1.00 0.42 H new ATOM 502 N ILE A 31 20.973 4.860 -7.926 1.00 0.33 N ATOM 503 CA ILE A 31 19.593 4.360 -8.168 1.00 0.31 C ATOM 504 C ILE A 31 18.594 5.368 -7.601 1.00 0.28 C ATOM 505 O ILE A 31 18.420 5.478 -6.403 1.00 0.30 O ATOM 506 CB ILE A 31 19.455 2.994 -7.497 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.516 2.059 -8.104 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.049 2.418 -7.696 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.350 1.923 -9.625 1.00 0.35 C ATOM 0 H ILE A 31 21.474 4.404 -7.164 1.00 0.33 H new ATOM 0 HA ILE A 31 19.392 4.249 -9.233 1.00 0.31 H new ATOM 0 HB ILE A 31 19.609 3.094 -6.423 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.511 2.443 -7.879 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.442 1.075 -7.640 1.00 0.35 H new ATOM 0 HG21 ILE A 31 17.982 1.446 -7.208 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.314 3.095 -7.261 1.00 0.31 H new ATOM 0 HG23 ILE A 31 17.850 2.303 -8.762 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.117 1.255 -10.016 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.365 1.514 -9.848 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.450 2.903 -10.091 1.00 0.35 H new ATOM 521 N ASP A 32 17.934 6.110 -8.456 1.00 0.26 N ATOM 522 CA ASP A 32 16.949 7.110 -7.970 1.00 0.27 C ATOM 523 C ASP A 32 15.554 6.494 -7.917 1.00 0.28 C ATOM 524 O ASP A 32 14.761 6.815 -7.050 1.00 0.45 O ATOM 525 CB ASP A 32 16.941 8.317 -8.911 1.00 0.30 C ATOM 526 CG ASP A 32 18.359 8.879 -9.034 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.286 8.087 -9.095 1.00 1.55 O ATOM 528 OD2 ASP A 32 18.493 10.090 -9.063 1.00 1.22 O ATOM 0 H ASP A 32 18.039 6.062 -9.469 1.00 0.26 H new ATOM 0 HA ASP A 32 17.232 7.429 -6.967 1.00 0.27 H new ATOM 0 HB2 ASP A 32 16.568 8.024 -9.892 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.266 9.084 -8.530 1.00 0.30 H new ATOM 533 N GLU A 33 15.241 5.633 -8.854 1.00 0.26 N ATOM 534 CA GLU A 33 13.895 5.009 -8.879 1.00 0.27 C ATOM 535 C GLU A 33 13.962 3.625 -8.250 1.00 0.23 C ATOM 536 O GLU A 33 14.904 2.883 -8.451 1.00 0.23 O ATOM 537 CB GLU A 33 13.386 4.877 -10.314 1.00 0.29 C ATOM 538 CG GLU A 33 13.456 6.235 -11.017 1.00 0.48 C ATOM 539 CD GLU A 33 12.041 6.780 -11.224 1.00 0.71 C ATOM 540 OE1 GLU A 33 11.205 6.032 -11.703 1.00 1.15 O ATOM 541 OE2 GLU A 33 11.820 7.936 -10.908 1.00 1.58 O ATOM 0 H GLU A 33 15.867 5.338 -9.603 1.00 0.26 H new ATOM 0 HA GLU A 33 13.212 5.645 -8.317 1.00 0.27 H new ATOM 0 HB2 GLU A 33 13.985 4.145 -10.856 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.360 4.510 -10.313 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.042 6.934 -10.421 1.00 0.48 H new ATOM 0 HG3 GLU A 33 13.961 6.133 -11.977 1.00 0.48 H new ATOM 548 N VAL A 34 12.974 3.271 -7.489 1.00 0.21 N ATOM 549 CA VAL A 34 12.995 1.932 -6.853 1.00 0.20 C ATOM 550 C VAL A 34 11.571 1.445 -6.602 1.00 0.19 C ATOM 551 O VAL A 34 10.680 2.215 -6.288 1.00 0.20 O ATOM 552 CB VAL A 34 13.779 2.001 -5.539 1.00 0.21 C ATOM 553 CG1 VAL A 34 12.835 2.268 -4.366 1.00 0.54 C ATOM 554 CG2 VAL A 34 14.492 0.670 -5.309 1.00 0.43 C ATOM 0 H VAL A 34 12.157 3.845 -7.280 1.00 0.21 H new ATOM 0 HA VAL A 34 13.485 1.224 -7.521 1.00 0.20 H new ATOM 0 HB VAL A 34 14.504 2.813 -5.604 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.409 2.314 -3.440 1.00 0.54 H new ATOM 0 HG12 VAL A 34 12.321 3.216 -4.521 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.102 1.464 -4.299 1.00 0.54 H new ATOM 0 HG21 VAL A 34 15.052 0.714 -4.375 1.00 0.43 H new ATOM 0 HG22 VAL A 34 13.756 -0.132 -5.254 1.00 0.43 H new ATOM 0 HG23 VAL A 34 15.178 0.477 -6.134 1.00 0.43 H new ATOM 564 N ILE A 35 11.364 0.168 -6.777 1.00 0.19 N ATOM 565 CA ILE A 35 10.001 -0.417 -6.586 1.00 0.19 C ATOM 566 C ILE A 35 10.020 -1.457 -5.483 1.00 0.19 C ATOM 567 O ILE A 35 10.804 -2.386 -5.508 1.00 0.20 O ATOM 568 CB ILE A 35 9.544 -1.054 -7.892 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.071 -0.195 -9.042 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.012 -1.120 -7.926 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.132 -0.293 -10.251 1.00 0.25 C ATOM 0 H ILE A 35 12.085 -0.502 -7.046 1.00 0.19 H new ATOM 0 HA ILE A 35 9.308 0.375 -6.300 1.00 0.19 H new ATOM 0 HB ILE A 35 9.928 -2.070 -7.982 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.155 0.843 -8.721 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.072 -0.524 -9.322 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.688 -1.576 -8.861 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.655 -1.718 -7.088 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.603 -0.112 -7.853 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.519 0.323 -11.063 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.070 -1.330 -10.580 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.139 0.058 -9.970 1.00 0.25 H new ATOM 583 N LEU A 36 9.139 -1.317 -4.524 1.00 0.21 N ATOM 584 CA LEU A 36 9.071 -2.306 -3.420 1.00 0.23 C ATOM 585 C LEU A 36 7.772 -3.090 -3.526 1.00 0.23 C ATOM 586 O LEU A 36 6.691 -2.546 -3.414 1.00 0.24 O ATOM 587 CB LEU A 36 9.150 -1.612 -2.060 1.00 0.24 C ATOM 588 CG LEU A 36 10.568 -1.776 -1.485 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.543 -0.898 -2.271 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.576 -1.347 -0.022 1.00 0.30 C ATOM 0 H LEU A 36 8.464 -0.555 -4.464 1.00 0.21 H new ATOM 0 HA LEU A 36 9.920 -2.985 -3.505 1.00 0.23 H new ATOM 0 HB2 LEU A 36 8.908 -0.554 -2.164 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.417 -2.041 -1.377 1.00 0.24 H new ATOM 0 HG LEU A 36 10.871 -2.820 -1.563 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.547 -1.014 -1.863 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.540 -1.198 -3.319 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.238 0.145 -2.192 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.580 -1.463 0.386 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.272 -0.303 0.053 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.881 -1.968 0.543 1.00 0.30 H new ATOM 602 N LYS A 37 7.888 -4.372 -3.709 1.00 0.23 N ATOM 603 CA LYS A 37 6.675 -5.231 -3.788 1.00 0.23 C ATOM 604 C LYS A 37 6.558 -6.035 -2.489 1.00 0.18 C ATOM 605 O LYS A 37 7.523 -6.589 -2.001 1.00 0.19 O ATOM 606 CB LYS A 37 6.754 -6.177 -4.983 1.00 0.31 C ATOM 607 CG LYS A 37 7.885 -5.760 -5.925 1.00 1.23 C ATOM 608 CD LYS A 37 7.941 -6.727 -7.112 1.00 1.52 C ATOM 609 CE LYS A 37 7.031 -6.220 -8.234 1.00 2.39 C ATOM 610 NZ LYS A 37 6.601 -7.368 -9.083 1.00 2.74 N ATOM 0 H LYS A 37 8.775 -4.866 -3.808 1.00 0.23 H new ATOM 0 HA LYS A 37 5.796 -4.600 -3.919 1.00 0.23 H new ATOM 0 HB2 LYS A 37 6.920 -7.197 -4.636 1.00 0.31 H new ATOM 0 HB3 LYS A 37 5.806 -6.173 -5.520 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.722 -4.742 -6.279 1.00 1.23 H new ATOM 0 HG3 LYS A 37 8.836 -5.764 -5.393 1.00 1.23 H new ATOM 0 HD2 LYS A 37 8.966 -6.815 -7.474 1.00 1.52 H new ATOM 0 HD3 LYS A 37 7.627 -7.722 -6.798 1.00 1.52 H new ATOM 0 HE2 LYS A 37 6.159 -5.720 -7.812 1.00 2.39 H new ATOM 0 HE3 LYS A 37 7.559 -5.484 -8.840 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 5.983 -7.024 -9.845 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 7.438 -7.827 -9.496 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 6.082 -8.055 -8.500 1.00 2.74 H new ATOM 624 N GLY A 38 5.383 -6.088 -1.928 1.00 0.18 N ATOM 625 CA GLY A 38 5.196 -6.846 -0.649 1.00 0.21 C ATOM 626 C GLY A 38 3.814 -7.515 -0.598 1.00 0.18 C ATOM 627 O GLY A 38 2.897 -7.119 -1.284 1.00 0.19 O ATOM 0 H GLY A 38 4.542 -5.642 -2.295 1.00 0.18 H new ATOM 0 HA2 GLY A 38 5.974 -7.604 -0.555 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.307 -6.169 0.198 1.00 0.21 H new ATOM 631 N THR A 39 3.676 -8.551 0.202 1.00 0.20 N ATOM 632 CA THR A 39 2.364 -9.273 0.280 1.00 0.25 C ATOM 633 C THR A 39 1.991 -9.665 1.711 1.00 0.23 C ATOM 634 O THR A 39 2.827 -9.975 2.530 1.00 0.22 O ATOM 635 CB THR A 39 2.446 -10.550 -0.553 1.00 0.28 C ATOM 636 OG1 THR A 39 3.662 -11.225 -0.264 1.00 0.43 O ATOM 637 CG2 THR A 39 2.401 -10.189 -2.030 1.00 0.56 C ATOM 0 H THR A 39 4.412 -8.925 0.801 1.00 0.20 H new ATOM 0 HA THR A 39 1.601 -8.592 -0.096 1.00 0.25 H new ATOM 0 HB THR A 39 1.606 -11.201 -0.312 1.00 0.28 H new ATOM 0 HG1 THR A 39 3.715 -12.046 -0.797 1.00 0.43 H new ATOM 0 HG21 THR A 39 2.459 -11.098 -2.629 1.00 0.56 H new ATOM 0 HG22 THR A 39 1.468 -9.669 -2.249 1.00 0.56 H new ATOM 0 HG23 THR A 39 3.243 -9.541 -2.272 1.00 0.56 H new ATOM 645 N GLY A 40 0.709 -9.658 1.986 1.00 0.27 N ATOM 646 CA GLY A 40 0.195 -10.039 3.335 1.00 0.30 C ATOM 647 C GLY A 40 1.101 -9.485 4.432 1.00 0.29 C ATOM 648 O GLY A 40 0.858 -8.429 4.972 1.00 0.33 O ATOM 0 H GLY A 40 -0.016 -9.399 1.317 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.818 -9.657 3.465 1.00 0.30 H new ATOM 0 HA3 GLY A 40 0.139 -11.125 3.416 1.00 0.30 H new ATOM 652 N ARG A 41 2.125 -10.208 4.788 1.00 0.27 N ATOM 653 CA ARG A 41 3.031 -9.731 5.868 1.00 0.28 C ATOM 654 C ARG A 41 4.091 -8.797 5.277 1.00 0.24 C ATOM 655 O ARG A 41 4.291 -7.699 5.758 1.00 0.25 O ATOM 656 CB ARG A 41 3.698 -10.925 6.557 1.00 0.31 C ATOM 657 CG ARG A 41 2.978 -12.222 6.172 1.00 0.64 C ATOM 658 CD ARG A 41 3.366 -13.331 7.152 1.00 0.92 C ATOM 659 NE ARG A 41 2.271 -13.522 8.143 1.00 1.69 N ATOM 660 CZ ARG A 41 1.196 -14.184 7.810 1.00 2.12 C ATOM 661 NH1 ARG A 41 1.079 -14.680 6.609 1.00 2.03 N ATOM 662 NH2 ARG A 41 0.237 -14.348 8.678 1.00 3.09 N ATOM 0 H ARG A 41 2.374 -11.108 4.378 1.00 0.27 H new ATOM 0 HA ARG A 41 2.450 -9.182 6.609 1.00 0.28 H new ATOM 0 HB2 ARG A 41 4.747 -10.982 6.268 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.672 -10.792 7.639 1.00 0.31 H new ATOM 0 HG2 ARG A 41 1.899 -12.070 6.187 1.00 0.64 H new ATOM 0 HG3 ARG A 41 3.245 -12.511 5.155 1.00 0.64 H new ATOM 0 HD2 ARG A 41 3.549 -14.260 6.613 1.00 0.92 H new ATOM 0 HD3 ARG A 41 4.293 -13.071 7.663 1.00 0.92 H new ATOM 0 HE ARG A 41 2.361 -13.135 9.083 1.00 1.69 H new ATOM 0 HH11 ARG A 41 1.828 -14.551 5.929 1.00 2.03 H new ATOM 0 HH12 ARG A 41 0.239 -15.197 6.350 1.00 2.03 H new ATOM 0 HH21 ARG A 41 0.327 -13.959 9.617 1.00 3.09 H new ATOM 0 HH22 ARG A 41 -0.603 -14.865 8.418 1.00 3.09 H new ATOM 676 N GLU A 42 4.781 -9.213 4.249 1.00 0.21 N ATOM 677 CA GLU A 42 5.826 -8.330 3.658 1.00 0.18 C ATOM 678 C GLU A 42 5.181 -7.015 3.238 1.00 0.17 C ATOM 679 O GLU A 42 5.824 -5.984 3.162 1.00 0.18 O ATOM 680 CB GLU A 42 6.429 -8.991 2.414 1.00 0.16 C ATOM 681 CG GLU A 42 6.072 -10.478 2.366 1.00 0.20 C ATOM 682 CD GLU A 42 6.874 -11.160 1.255 1.00 0.22 C ATOM 683 OE1 GLU A 42 7.405 -10.454 0.417 1.00 1.09 O ATOM 684 OE2 GLU A 42 6.941 -12.377 1.263 1.00 1.06 O ATOM 0 H GLU A 42 4.667 -10.120 3.796 1.00 0.21 H new ATOM 0 HA GLU A 42 6.608 -8.158 4.397 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.060 -8.494 1.517 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.512 -8.872 2.422 1.00 0.16 H new ATOM 0 HG2 GLU A 42 6.289 -10.946 3.326 1.00 0.20 H new ATOM 0 HG3 GLU A 42 5.004 -10.601 2.186 1.00 0.20 H new ATOM 691 N ILE A 43 3.913 -7.046 2.965 1.00 0.19 N ATOM 692 CA ILE A 43 3.197 -5.818 2.550 1.00 0.20 C ATOM 693 C ILE A 43 3.490 -4.662 3.517 1.00 0.22 C ATOM 694 O ILE A 43 3.578 -3.518 3.119 1.00 0.24 O ATOM 695 CB ILE A 43 1.697 -6.129 2.557 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.980 -5.212 1.582 1.00 0.40 C ATOM 697 CG2 ILE A 43 1.128 -5.910 3.958 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.509 -5.549 1.564 1.00 0.87 C ATOM 0 H ILE A 43 3.334 -7.884 3.013 1.00 0.19 H new ATOM 0 HA ILE A 43 3.528 -5.515 1.557 1.00 0.20 H new ATOM 0 HB ILE A 43 1.550 -7.168 2.262 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.124 -4.171 1.872 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.401 -5.326 0.583 1.00 0.40 H new ATOM 0 HG21 ILE A 43 0.061 -6.133 3.956 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.635 -6.568 4.664 1.00 0.38 H new ATOM 0 HG23 ILE A 43 1.282 -4.873 4.255 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -1.023 -4.890 0.864 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.644 -6.585 1.253 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -0.925 -5.413 2.562 1.00 0.87 H new ATOM 710 N SER A 44 3.618 -4.945 4.787 1.00 0.24 N ATOM 711 CA SER A 44 3.874 -3.856 5.769 1.00 0.27 C ATOM 712 C SER A 44 5.361 -3.555 5.796 1.00 0.26 C ATOM 713 O SER A 44 5.773 -2.455 6.107 1.00 0.27 O ATOM 714 CB SER A 44 3.412 -4.293 7.158 1.00 0.31 C ATOM 715 OG SER A 44 3.415 -5.713 7.228 1.00 1.14 O ATOM 0 H SER A 44 3.556 -5.883 5.184 1.00 0.24 H new ATOM 0 HA SER A 44 3.322 -2.962 5.477 1.00 0.27 H new ATOM 0 HB2 SER A 44 4.071 -3.878 7.921 1.00 0.31 H new ATOM 0 HB3 SER A 44 2.412 -3.909 7.359 1.00 0.31 H new ATOM 0 HG SER A 44 2.583 -6.061 6.845 1.00 1.14 H new ATOM 721 N LYS A 45 6.174 -4.494 5.409 1.00 0.25 N ATOM 722 CA LYS A 45 7.614 -4.179 5.363 1.00 0.25 C ATOM 723 C LYS A 45 7.727 -3.064 4.336 1.00 0.23 C ATOM 724 O LYS A 45 7.994 -1.927 4.672 1.00 0.25 O ATOM 725 CB LYS A 45 8.424 -5.404 4.932 1.00 0.24 C ATOM 726 CG LYS A 45 8.401 -6.452 6.046 1.00 0.42 C ATOM 727 CD LYS A 45 9.621 -6.267 6.950 1.00 0.90 C ATOM 728 CE LYS A 45 9.561 -7.271 8.103 1.00 0.82 C ATOM 729 NZ LYS A 45 9.658 -6.545 9.402 1.00 1.86 N ATOM 0 H LYS A 45 5.909 -5.439 5.131 1.00 0.25 H new ATOM 0 HA LYS A 45 8.006 -3.884 6.336 1.00 0.25 H new ATOM 0 HB2 LYS A 45 8.008 -5.823 4.016 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.452 -5.114 4.713 1.00 0.24 H new ATOM 0 HG2 LYS A 45 7.485 -6.357 6.630 1.00 0.42 H new ATOM 0 HG3 LYS A 45 8.403 -7.454 5.617 1.00 0.42 H new ATOM 0 HD2 LYS A 45 10.537 -6.411 6.376 1.00 0.90 H new ATOM 0 HD3 LYS A 45 9.646 -5.250 7.341 1.00 0.90 H new ATOM 0 HE2 LYS A 45 8.630 -7.836 8.059 1.00 0.82 H new ATOM 0 HE3 LYS A 45 10.375 -7.991 8.015 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 9.532 -7.217 10.186 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 10.592 -6.094 9.479 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 8.917 -5.816 9.449 1.00 1.86 H new ATOM 743 N ALA A 46 7.525 -3.404 3.087 1.00 0.22 N ATOM 744 CA ALA A 46 7.606 -2.395 1.984 1.00 0.23 C ATOM 745 C ALA A 46 7.164 -1.010 2.485 1.00 0.22 C ATOM 746 O ALA A 46 7.847 -0.025 2.293 1.00 0.29 O ATOM 747 CB ALA A 46 6.698 -2.831 0.829 1.00 0.25 C ATOM 0 H ALA A 46 7.304 -4.351 2.780 1.00 0.22 H new ATOM 0 HA ALA A 46 8.639 -2.331 1.642 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.755 -2.098 0.024 1.00 0.25 H new ATOM 0 HB2 ALA A 46 7.023 -3.803 0.458 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.669 -2.903 1.182 1.00 0.25 H new ATOM 753 N VAL A 47 6.033 -0.934 3.136 1.00 0.17 N ATOM 754 CA VAL A 47 5.555 0.385 3.661 1.00 0.17 C ATOM 755 C VAL A 47 6.589 0.954 4.632 1.00 0.17 C ATOM 756 O VAL A 47 7.234 1.946 4.358 1.00 0.16 O ATOM 757 CB VAL A 47 4.219 0.199 4.398 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.755 1.530 5.016 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.164 -0.302 3.409 1.00 0.20 C ATOM 0 H VAL A 47 5.419 -1.725 3.328 1.00 0.17 H new ATOM 0 HA VAL A 47 5.417 1.072 2.826 1.00 0.17 H new ATOM 0 HB VAL A 47 4.353 -0.529 5.198 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.808 1.380 5.534 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.504 1.883 5.725 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.624 2.271 4.228 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.214 -0.436 3.927 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.041 0.427 2.608 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.484 -1.255 2.987 1.00 0.20 H new ATOM 769 N ASP A 48 6.737 0.339 5.769 1.00 0.20 N ATOM 770 CA ASP A 48 7.713 0.844 6.774 1.00 0.23 C ATOM 771 C ASP A 48 9.033 1.172 6.084 1.00 0.24 C ATOM 772 O ASP A 48 9.594 2.234 6.268 1.00 0.26 O ATOM 773 CB ASP A 48 7.950 -0.226 7.840 1.00 0.26 C ATOM 774 CG ASP A 48 8.300 0.447 9.169 1.00 0.44 C ATOM 775 OD1 ASP A 48 9.192 1.278 9.171 1.00 1.26 O ATOM 776 OD2 ASP A 48 7.668 0.119 10.160 1.00 1.11 O ATOM 0 H ASP A 48 6.222 -0.496 6.048 1.00 0.20 H new ATOM 0 HA ASP A 48 7.314 1.743 7.243 1.00 0.23 H new ATOM 0 HB2 ASP A 48 7.059 -0.843 7.956 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.758 -0.889 7.532 1.00 0.26 H new ATOM 781 N VAL A 49 9.531 0.269 5.291 1.00 0.26 N ATOM 782 CA VAL A 49 10.813 0.534 4.589 1.00 0.30 C ATOM 783 C VAL A 49 10.753 1.919 3.943 1.00 0.29 C ATOM 784 O VAL A 49 11.556 2.783 4.231 1.00 0.29 O ATOM 785 CB VAL A 49 11.042 -0.521 3.507 1.00 0.37 C ATOM 786 CG1 VAL A 49 12.278 -0.148 2.691 1.00 1.06 C ATOM 787 CG2 VAL A 49 11.262 -1.886 4.162 1.00 0.95 C ATOM 0 H VAL A 49 9.107 -0.639 5.099 1.00 0.26 H new ATOM 0 HA VAL A 49 11.633 0.494 5.306 1.00 0.30 H new ATOM 0 HB VAL A 49 10.170 -0.567 2.854 1.00 0.37 H new ATOM 0 HG11 VAL A 49 12.444 -0.899 1.918 1.00 1.06 H new ATOM 0 HG12 VAL A 49 12.126 0.825 2.225 1.00 1.06 H new ATOM 0 HG13 VAL A 49 13.147 -0.104 3.347 1.00 1.06 H new ATOM 0 HG21 VAL A 49 11.425 -2.638 3.390 1.00 0.95 H new ATOM 0 HG22 VAL A 49 12.134 -1.840 4.814 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.384 -2.154 4.749 1.00 0.95 H new ATOM 797 N TYR A 50 9.815 2.134 3.062 1.00 0.31 N ATOM 798 CA TYR A 50 9.709 3.457 2.386 1.00 0.34 C ATOM 799 C TYR A 50 9.482 4.561 3.418 1.00 0.30 C ATOM 800 O TYR A 50 10.208 5.533 3.468 1.00 0.30 O ATOM 801 CB TYR A 50 8.536 3.421 1.409 1.00 0.40 C ATOM 802 CG TYR A 50 7.811 4.747 1.427 1.00 1.14 C ATOM 803 CD1 TYR A 50 8.495 5.919 1.091 1.00 2.13 C ATOM 804 CD2 TYR A 50 6.451 4.802 1.764 1.00 1.88 C ATOM 805 CE1 TYR A 50 7.823 7.146 1.090 1.00 2.97 C ATOM 806 CE2 TYR A 50 5.781 6.033 1.767 1.00 2.70 C ATOM 807 CZ TYR A 50 6.468 7.204 1.430 1.00 3.06 C ATOM 808 OH TYR A 50 5.808 8.416 1.429 1.00 4.02 O ATOM 0 H TYR A 50 9.115 1.447 2.781 1.00 0.31 H new ATOM 0 HA TYR A 50 10.635 3.664 1.850 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.896 3.207 0.403 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.850 2.618 1.680 1.00 0.40 H new ATOM 0 HD1 TYR A 50 9.543 5.877 0.832 1.00 2.13 H new ATOM 0 HD2 TYR A 50 5.921 3.897 2.021 1.00 1.88 H new ATOM 0 HE1 TYR A 50 8.352 8.050 0.826 1.00 2.97 H new ATOM 0 HE2 TYR A 50 4.734 6.078 2.029 1.00 2.70 H new ATOM 0 HH TYR A 50 4.873 8.279 1.687 1.00 4.02 H new ATOM 818 N ASN A 51 8.490 4.417 4.251 1.00 0.30 N ATOM 819 CA ASN A 51 8.245 5.459 5.282 1.00 0.30 C ATOM 820 C ASN A 51 9.552 5.686 6.029 1.00 0.29 C ATOM 821 O ASN A 51 10.007 6.800 6.198 1.00 0.29 O ATOM 822 CB ASN A 51 7.170 4.975 6.254 1.00 0.32 C ATOM 823 CG ASN A 51 6.981 6.012 7.365 1.00 0.61 C ATOM 824 OD1 ASN A 51 7.946 6.219 8.219 1.00 1.34 O flip ATOM 825 ND2 ASN A 51 5.946 6.640 7.456 1.00 1.28 N flip ATOM 0 H ASN A 51 7.843 3.628 4.262 1.00 0.30 H new ATOM 0 HA ASN A 51 7.904 6.386 4.820 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.230 4.818 5.725 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.458 4.015 6.683 1.00 0.32 H new ATOM 0 HD21 ASN A 51 5.191 6.479 6.789 1.00 1.28 H new ATOM 0 HD22 ASN A 51 5.831 7.329 8.199 1.00 1.28 H new ATOM 832 N SER A 52 10.159 4.623 6.468 1.00 0.30 N ATOM 833 CA SER A 52 11.444 4.761 7.199 1.00 0.30 C ATOM 834 C SER A 52 12.476 5.388 6.263 1.00 0.29 C ATOM 835 O SER A 52 13.313 6.163 6.680 1.00 0.28 O ATOM 836 CB SER A 52 11.944 3.393 7.651 1.00 0.33 C ATOM 837 OG SER A 52 11.930 2.497 6.548 1.00 1.04 O ATOM 0 H SER A 52 9.822 3.667 6.353 1.00 0.30 H new ATOM 0 HA SER A 52 11.294 5.390 8.077 1.00 0.30 H new ATOM 0 HB2 SER A 52 12.954 3.477 8.052 1.00 0.33 H new ATOM 0 HB3 SER A 52 11.313 3.010 8.453 1.00 0.33 H new ATOM 0 HG SER A 52 11.208 2.746 5.933 1.00 1.04 H new ATOM 843 N LEU A 53 12.421 5.072 4.995 1.00 0.28 N ATOM 844 CA LEU A 53 13.391 5.662 4.038 1.00 0.28 C ATOM 845 C LEU A 53 12.964 7.098 3.728 1.00 0.26 C ATOM 846 O LEU A 53 13.768 7.939 3.383 1.00 0.26 O ATOM 847 CB LEU A 53 13.390 4.848 2.742 1.00 0.28 C ATOM 848 CG LEU A 53 14.578 5.272 1.868 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.834 4.483 2.248 1.00 0.44 C ATOM 850 CD2 LEU A 53 14.249 5.011 0.400 1.00 0.40 C ATOM 0 H LEU A 53 11.743 4.429 4.585 1.00 0.28 H new ATOM 0 HA LEU A 53 14.391 5.652 4.472 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.454 3.784 2.969 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.455 5.004 2.203 1.00 0.28 H new ATOM 0 HG LEU A 53 14.765 6.334 2.027 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.666 4.797 1.618 1.00 0.44 H new ATOM 0 HD12 LEU A 53 16.080 4.671 3.293 1.00 0.44 H new ATOM 0 HD13 LEU A 53 15.652 3.418 2.104 1.00 0.44 H new ATOM 0 HD21 LEU A 53 15.093 5.312 -0.221 1.00 0.40 H new ATOM 0 HD22 LEU A 53 14.052 3.949 0.255 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.367 5.586 0.117 1.00 0.40 H new ATOM 862 N LYS A 54 11.723 7.422 3.918 1.00 0.26 N ATOM 863 CA LYS A 54 11.303 8.822 3.675 1.00 0.27 C ATOM 864 C LYS A 54 11.710 9.622 4.898 1.00 0.29 C ATOM 865 O LYS A 54 12.241 10.711 4.821 1.00 0.28 O ATOM 866 CB LYS A 54 9.782 8.864 3.504 1.00 0.30 C ATOM 867 CG LYS A 54 9.354 10.179 2.844 1.00 0.55 C ATOM 868 CD LYS A 54 8.812 11.152 3.894 1.00 0.27 C ATOM 869 CE LYS A 54 8.253 12.395 3.196 1.00 0.36 C ATOM 870 NZ LYS A 54 6.797 12.515 3.489 1.00 1.00 N ATOM 0 H LYS A 54 10.988 6.787 4.228 1.00 0.26 H new ATOM 0 HA LYS A 54 11.765 9.230 2.776 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.455 8.021 2.895 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.298 8.763 4.475 1.00 0.30 H new ATOM 0 HG2 LYS A 54 10.203 10.627 2.328 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.590 9.984 2.091 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.032 10.671 4.483 1.00 0.27 H new ATOM 0 HD3 LYS A 54 9.605 11.436 4.586 1.00 0.27 H new ATOM 0 HE2 LYS A 54 8.779 13.286 3.540 1.00 0.36 H new ATOM 0 HE3 LYS A 54 8.414 12.325 2.120 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 6.416 13.359 3.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.302 11.669 3.141 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 6.655 12.601 4.516 1.00 1.00 H new ATOM 884 N ASP A 55 11.479 9.038 6.030 1.00 0.34 N ATOM 885 CA ASP A 55 11.852 9.670 7.319 1.00 0.38 C ATOM 886 C ASP A 55 13.287 10.151 7.209 1.00 0.40 C ATOM 887 O ASP A 55 13.760 10.939 8.004 1.00 0.47 O ATOM 888 CB ASP A 55 11.779 8.622 8.434 1.00 0.43 C ATOM 889 CG ASP A 55 10.403 8.663 9.097 1.00 0.85 C ATOM 890 OD1 ASP A 55 9.938 9.755 9.383 1.00 1.48 O ATOM 891 OD2 ASP A 55 9.842 7.604 9.314 1.00 1.58 O ATOM 0 H ASP A 55 11.035 8.124 6.120 1.00 0.34 H new ATOM 0 HA ASP A 55 11.178 10.497 7.542 1.00 0.38 H new ATOM 0 HB2 ASP A 55 11.966 7.629 8.025 1.00 0.43 H new ATOM 0 HB3 ASP A 55 12.555 8.812 9.175 1.00 0.43 H new ATOM 896 N ARG A 56 13.987 9.664 6.229 1.00 0.36 N ATOM 897 CA ARG A 56 15.392 10.057 6.052 1.00 0.40 C ATOM 898 C ARG A 56 15.497 11.556 5.860 1.00 0.40 C ATOM 899 O ARG A 56 16.206 12.236 6.573 1.00 0.43 O ATOM 900 CB ARG A 56 15.889 9.338 4.818 1.00 0.44 C ATOM 901 CG ARG A 56 15.806 7.833 5.078 1.00 0.81 C ATOM 902 CD ARG A 56 16.770 7.405 6.183 1.00 0.67 C ATOM 903 NE ARG A 56 17.972 8.289 6.196 1.00 1.00 N ATOM 904 CZ ARG A 56 18.668 8.438 7.290 1.00 1.24 C ATOM 905 NH1 ARG A 56 18.329 7.799 8.374 1.00 1.52 N ATOM 906 NH2 ARG A 56 19.710 9.227 7.296 1.00 1.69 N ATOM 0 H ARG A 56 13.634 9.002 5.538 1.00 0.36 H new ATOM 0 HA ARG A 56 15.986 9.794 6.927 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.286 9.608 3.951 1.00 0.44 H new ATOM 0 HB3 ARG A 56 16.915 9.630 4.595 1.00 0.44 H new ATOM 0 HG2 ARG A 56 14.787 7.566 5.358 1.00 0.81 H new ATOM 0 HG3 ARG A 56 16.037 7.290 4.161 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.268 7.449 7.149 1.00 0.67 H new ATOM 0 HD3 ARG A 56 17.074 6.370 6.028 1.00 0.67 H new ATOM 0 HE ARG A 56 18.251 8.779 5.346 1.00 1.00 H new ATOM 0 HH11 ARG A 56 17.518 7.181 8.369 1.00 1.52 H new ATOM 0 HH12 ARG A 56 18.875 7.917 9.228 1.00 1.52 H new ATOM 0 HH21 ARG A 56 19.978 9.725 6.447 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.255 9.345 8.150 1.00 1.69 H new ATOM 920 N LEU A 57 14.807 12.078 4.898 1.00 0.38 N ATOM 921 CA LEU A 57 14.894 13.541 4.672 1.00 0.42 C ATOM 922 C LEU A 57 13.687 14.034 3.892 1.00 0.39 C ATOM 923 O LEU A 57 13.571 15.210 3.618 1.00 0.41 O ATOM 924 CB LEU A 57 16.166 13.857 3.892 1.00 0.51 C ATOM 925 CG LEU A 57 17.109 14.673 4.778 1.00 1.11 C ATOM 926 CD1 LEU A 57 18.448 14.838 4.072 1.00 1.63 C ATOM 927 CD2 LEU A 57 16.501 16.053 5.041 1.00 1.66 C ATOM 0 H LEU A 57 14.193 11.566 4.264 1.00 0.38 H new ATOM 0 HA LEU A 57 14.915 14.045 5.638 1.00 0.42 H new ATOM 0 HB2 LEU A 57 16.652 12.934 3.576 1.00 0.51 H new ATOM 0 HB3 LEU A 57 15.923 14.415 2.988 1.00 0.51 H new ATOM 0 HG LEU A 57 17.255 14.155 5.726 1.00 1.11 H new ATOM 0 HD11 LEU A 57 19.122 15.419 4.701 1.00 1.63 H new ATOM 0 HD12 LEU A 57 18.883 13.857 3.884 1.00 1.63 H new ATOM 0 HD13 LEU A 57 18.299 15.356 3.125 1.00 1.63 H new ATOM 0 HD21 LEU A 57 17.174 16.633 5.672 1.00 1.66 H new ATOM 0 HD22 LEU A 57 16.354 16.572 4.094 1.00 1.66 H new ATOM 0 HD23 LEU A 57 15.541 15.938 5.544 1.00 1.66 H new ATOM 939 N GLY A 58 12.770 13.171 3.546 1.00 0.39 N ATOM 940 CA GLY A 58 11.570 13.636 2.794 1.00 0.38 C ATOM 941 C GLY A 58 11.980 14.160 1.416 1.00 0.33 C ATOM 942 O GLY A 58 11.513 13.697 0.397 1.00 0.31 O ATOM 0 H GLY A 58 12.799 12.172 3.750 1.00 0.39 H new ATOM 0 HA2 GLY A 58 10.861 12.816 2.683 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.063 14.422 3.354 1.00 0.38 H new ATOM 946 N ASP A 59 12.830 15.142 1.388 1.00 0.37 N ATOM 947 CA ASP A 59 13.261 15.732 0.092 1.00 0.38 C ATOM 948 C ASP A 59 14.161 14.759 -0.665 1.00 0.30 C ATOM 949 O ASP A 59 14.041 14.599 -1.858 1.00 0.32 O ATOM 950 CB ASP A 59 14.028 17.027 0.358 1.00 0.47 C ATOM 951 CG ASP A 59 13.425 18.159 -0.474 1.00 0.57 C ATOM 952 OD1 ASP A 59 12.509 18.802 0.013 1.00 1.06 O ATOM 953 OD2 ASP A 59 13.888 18.365 -1.584 1.00 1.38 O ATOM 0 H ASP A 59 13.250 15.567 2.215 1.00 0.37 H new ATOM 0 HA ASP A 59 12.378 15.938 -0.513 1.00 0.38 H new ATOM 0 HB2 ASP A 59 13.983 17.277 1.418 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.080 16.897 0.105 1.00 0.47 H new ATOM 958 N GLY A 60 15.060 14.110 0.011 1.00 0.26 N ATOM 959 CA GLY A 60 15.964 13.163 -0.684 1.00 0.24 C ATOM 960 C GLY A 60 15.204 11.888 -1.013 1.00 0.23 C ATOM 961 O GLY A 60 15.794 10.869 -1.288 1.00 0.24 O ATOM 0 H GLY A 60 15.208 14.195 1.017 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.350 13.615 -1.598 1.00 0.24 H new ATOM 0 HA3 GLY A 60 16.824 12.935 -0.054 1.00 0.24 H new ATOM 965 N VAL A 61 13.900 11.929 -0.991 1.00 0.22 N ATOM 966 CA VAL A 61 13.103 10.713 -1.299 1.00 0.22 C ATOM 967 C VAL A 61 11.721 11.169 -1.784 1.00 0.22 C ATOM 968 O VAL A 61 11.070 11.964 -1.137 1.00 0.28 O ATOM 969 CB VAL A 61 12.932 9.868 -0.027 1.00 0.25 C ATOM 970 CG1 VAL A 61 11.631 9.062 -0.110 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.110 8.900 0.136 1.00 0.38 C ATOM 0 H VAL A 61 13.351 12.760 -0.771 1.00 0.22 H new ATOM 0 HA VAL A 61 13.606 10.115 -2.059 1.00 0.22 H new ATOM 0 HB VAL A 61 12.898 10.540 0.831 1.00 0.25 H new ATOM 0 HG11 VAL A 61 11.515 8.465 0.794 1.00 0.34 H new ATOM 0 HG12 VAL A 61 10.786 9.744 -0.206 1.00 0.34 H new ATOM 0 HG13 VAL A 61 11.666 8.403 -0.978 1.00 0.34 H new ATOM 0 HG21 VAL A 61 13.973 8.309 1.042 1.00 0.38 H new ATOM 0 HG22 VAL A 61 14.157 8.236 -0.727 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.039 9.466 0.209 1.00 0.38 H new ATOM 981 N GLN A 62 11.291 10.703 -2.924 1.00 0.20 N ATOM 982 CA GLN A 62 9.973 11.142 -3.465 1.00 0.21 C ATOM 983 C GLN A 62 9.143 9.951 -3.945 1.00 0.22 C ATOM 984 O GLN A 62 9.649 8.900 -4.263 1.00 0.21 O ATOM 985 CB GLN A 62 10.215 12.072 -4.647 1.00 0.23 C ATOM 986 CG GLN A 62 9.956 13.512 -4.228 1.00 0.34 C ATOM 987 CD GLN A 62 8.449 13.755 -4.133 1.00 0.50 C ATOM 988 OE1 GLN A 62 7.798 14.008 -5.127 1.00 1.14 O ATOM 989 NE2 GLN A 62 7.863 13.685 -2.970 1.00 1.31 N ATOM 0 H GLN A 62 11.797 10.035 -3.506 1.00 0.20 H new ATOM 0 HA GLN A 62 9.426 11.648 -2.670 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.240 11.965 -5.002 1.00 0.23 H new ATOM 0 HB3 GLN A 62 9.561 11.801 -5.475 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.428 13.712 -3.266 1.00 0.34 H new ATOM 0 HG3 GLN A 62 10.400 14.197 -4.950 1.00 0.34 H new ATOM 0 HE21 GLN A 62 8.410 13.473 -2.135 1.00 1.31 H new ATOM 0 HE22 GLN A 62 6.858 13.843 -2.895 1.00 1.31 H new ATOM 998 N LEU A 63 7.861 10.140 -4.004 1.00 0.25 N ATOM 999 CA LEU A 63 6.944 9.062 -4.466 1.00 0.26 C ATOM 1000 C LEU A 63 6.648 9.261 -5.954 1.00 0.29 C ATOM 1001 O LEU A 63 6.000 10.217 -6.332 1.00 0.34 O ATOM 1002 CB LEU A 63 5.647 9.133 -3.653 1.00 0.29 C ATOM 1003 CG LEU A 63 4.707 7.987 -4.050 1.00 0.29 C ATOM 1004 CD1 LEU A 63 3.690 7.760 -2.931 1.00 0.49 C ATOM 1005 CD2 LEU A 63 3.955 8.310 -5.353 1.00 0.48 C ATOM 0 H LEU A 63 7.398 11.012 -3.747 1.00 0.25 H new ATOM 0 HA LEU A 63 7.404 8.084 -4.323 1.00 0.26 H new ATOM 0 HB2 LEU A 63 5.873 9.075 -2.588 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.155 10.091 -3.822 1.00 0.29 H new ATOM 0 HG LEU A 63 5.307 7.091 -4.209 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.020 6.947 -3.208 1.00 0.49 H new ATOM 0 HD12 LEU A 63 4.213 7.501 -2.011 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.111 8.670 -2.775 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.297 7.480 -5.609 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.362 9.214 -5.216 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.673 8.465 -6.158 1.00 0.48 H new ATOM 1017 N VAL A 64 7.111 8.370 -6.799 1.00 0.29 N ATOM 1018 CA VAL A 64 6.844 8.522 -8.265 1.00 0.33 C ATOM 1019 C VAL A 64 5.703 7.589 -8.690 1.00 0.32 C ATOM 1020 O VAL A 64 5.045 7.834 -9.682 1.00 0.37 O ATOM 1021 CB VAL A 64 8.112 8.262 -9.105 1.00 0.36 C ATOM 1022 CG1 VAL A 64 8.997 7.177 -8.483 1.00 1.12 C ATOM 1023 CG2 VAL A 64 7.719 7.834 -10.520 1.00 1.35 C ATOM 0 H VAL A 64 7.659 7.550 -6.539 1.00 0.29 H new ATOM 0 HA VAL A 64 6.543 9.553 -8.450 1.00 0.33 H new ATOM 0 HB VAL A 64 8.680 9.192 -9.134 1.00 0.36 H new ATOM 0 HG11 VAL A 64 9.879 7.025 -9.106 1.00 1.12 H new ATOM 0 HG12 VAL A 64 9.307 7.488 -7.485 1.00 1.12 H new ATOM 0 HG13 VAL A 64 8.436 6.245 -8.415 1.00 1.12 H new ATOM 0 HG21 VAL A 64 8.619 7.652 -11.108 1.00 1.35 H new ATOM 0 HG22 VAL A 64 7.126 6.921 -10.472 1.00 1.35 H new ATOM 0 HG23 VAL A 64 7.132 8.624 -10.989 1.00 1.35 H new ATOM 1033 N ASN A 65 5.408 6.551 -7.942 1.00 0.28 N ATOM 1034 CA ASN A 65 4.257 5.679 -8.335 1.00 0.29 C ATOM 1035 C ASN A 65 3.909 4.731 -7.185 1.00 0.26 C ATOM 1036 O ASN A 65 4.745 4.398 -6.372 1.00 0.24 O ATOM 1037 CB ASN A 65 4.625 4.860 -9.563 1.00 0.30 C ATOM 1038 CG ASN A 65 3.664 5.187 -10.707 1.00 0.38 C ATOM 1039 OD1 ASN A 65 2.548 4.707 -10.734 1.00 1.20 O ATOM 1040 ND2 ASN A 65 4.051 5.990 -11.659 1.00 0.98 N ATOM 0 H ASN A 65 5.903 6.275 -7.094 1.00 0.28 H new ATOM 0 HA ASN A 65 3.397 6.310 -8.562 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.650 5.077 -9.863 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.580 3.796 -9.330 1.00 0.30 H new ATOM 0 HD21 ASN A 65 3.417 6.215 -12.426 1.00 0.98 H new ATOM 0 HD22 ASN A 65 4.988 6.393 -11.637 1.00 0.98 H new ATOM 1047 N VAL A 66 2.674 4.301 -7.111 1.00 0.27 N ATOM 1048 CA VAL A 66 2.257 3.378 -6.013 1.00 0.25 C ATOM 1049 C VAL A 66 0.981 2.648 -6.420 1.00 0.26 C ATOM 1050 O VAL A 66 0.013 3.251 -6.840 1.00 0.29 O ATOM 1051 CB VAL A 66 1.971 4.167 -4.727 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.390 3.222 -3.674 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.259 4.781 -4.178 1.00 0.63 C ATOM 0 H VAL A 66 1.934 4.551 -7.767 1.00 0.27 H new ATOM 0 HA VAL A 66 3.065 2.668 -5.834 1.00 0.25 H new ATOM 0 HB VAL A 66 1.263 4.963 -4.956 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.185 3.778 -2.759 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.464 2.786 -4.048 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.106 2.428 -3.463 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.038 5.336 -3.267 1.00 0.63 H new ATOM 0 HG22 VAL A 66 3.974 3.989 -3.955 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.685 5.456 -4.920 1.00 0.63 H new ATOM 1063 N GLN A 67 0.979 1.352 -6.303 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.230 0.580 -6.688 1.00 0.27 C ATOM 1065 C GLN A 67 -0.405 -0.639 -5.791 1.00 0.25 C ATOM 1066 O GLN A 67 0.476 -1.037 -5.061 1.00 0.25 O ATOM 1067 CB GLN A 67 -0.104 0.119 -8.138 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.489 0.105 -8.783 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.390 -0.467 -10.199 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -0.363 -0.991 -10.584 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -2.420 -0.390 -10.995 1.00 1.41 N ATOM 0 H GLN A 67 1.761 0.795 -5.958 1.00 0.25 H new ATOM 0 HA GLN A 67 -1.099 1.228 -6.575 1.00 0.27 H new ATOM 0 HB2 GLN A 67 0.560 0.786 -8.688 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.339 -0.876 -8.179 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -2.174 -0.496 -8.184 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -1.896 1.116 -8.816 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -3.282 0.050 -10.672 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -2.364 -0.769 -11.940 1.00 1.41 H new ATOM 1080 N THR A 68 -1.571 -1.201 -5.835 1.00 0.26 N ATOM 1081 CA THR A 68 -1.878 -2.381 -4.990 1.00 0.27 C ATOM 1082 C THR A 68 -2.688 -3.374 -5.807 1.00 0.30 C ATOM 1083 O THR A 68 -3.326 -3.016 -6.776 1.00 0.43 O ATOM 1084 CB THR A 68 -2.711 -1.929 -3.783 1.00 0.35 C ATOM 1085 OG1 THR A 68 -3.610 -0.907 -4.189 1.00 0.52 O ATOM 1086 CG2 THR A 68 -1.798 -1.389 -2.686 1.00 0.46 C ATOM 0 H THR A 68 -2.339 -0.889 -6.430 1.00 0.26 H new ATOM 0 HA THR A 68 -0.953 -2.846 -4.649 1.00 0.27 H new ATOM 0 HB THR A 68 -3.268 -2.782 -3.396 1.00 0.35 H new ATOM 0 HG1 THR A 68 -4.522 -1.265 -4.216 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.400 -1.071 -1.835 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.107 -2.171 -2.370 1.00 0.46 H new ATOM 0 HG23 THR A 68 -1.233 -0.539 -3.068 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.688 -4.618 -5.427 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.480 -5.643 -6.170 1.00 0.38 C ATOM 1096 C GLY A 69 -3.370 -6.957 -5.386 1.00 0.31 C ATOM 1097 O GLY A 69 -2.370 -7.218 -4.759 1.00 0.40 O ATOM 0 H GLY A 69 -2.169 -4.976 -4.625 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.522 -5.334 -6.259 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.096 -5.766 -7.183 1.00 0.38 H new ATOM 1101 N SER A 70 -4.382 -7.778 -5.395 1.00 0.42 N ATOM 1102 CA SER A 70 -4.302 -9.056 -4.631 1.00 0.34 C ATOM 1103 C SER A 70 -3.812 -10.183 -5.539 1.00 0.32 C ATOM 1104 O SER A 70 -3.825 -10.063 -6.749 1.00 0.33 O ATOM 1105 CB SER A 70 -5.678 -9.404 -4.063 1.00 0.32 C ATOM 1106 OG SER A 70 -6.562 -9.720 -5.131 1.00 0.34 O ATOM 0 H SER A 70 -5.257 -7.622 -5.895 1.00 0.42 H new ATOM 0 HA SER A 70 -3.595 -8.935 -3.810 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.599 -10.249 -3.379 1.00 0.32 H new ATOM 0 HB3 SER A 70 -6.069 -8.565 -3.488 1.00 0.32 H new ATOM 0 HG SER A 70 -7.400 -9.224 -5.020 1.00 0.34 H new ATOM 1112 N GLU A 71 -3.364 -11.275 -4.969 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.860 -12.393 -5.820 1.00 0.35 C ATOM 1114 C GLU A 71 -3.132 -13.736 -5.158 1.00 0.35 C ATOM 1115 O GLU A 71 -3.319 -13.820 -3.960 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.347 -12.233 -6.015 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.593 -12.357 -4.676 1.00 0.54 C ATOM 1118 CD GLU A 71 0.881 -12.657 -4.958 1.00 0.59 C ATOM 1119 OE1 GLU A 71 1.271 -12.580 -6.112 1.00 1.12 O ATOM 1120 OE2 GLU A 71 1.594 -12.957 -4.016 1.00 1.29 O ATOM 0 H GLU A 71 -3.326 -11.438 -3.963 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.374 -12.361 -6.781 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -0.986 -12.991 -6.710 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -1.137 -11.263 -6.465 1.00 0.45 H new ATOM 0 HG2 GLU A 71 -0.686 -11.433 -4.105 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -1.029 -13.151 -4.071 1.00 0.54 H new ATOM 1127 N VAL A 72 -3.127 -14.796 -5.921 1.00 0.43 N ATOM 1128 CA VAL A 72 -3.357 -16.125 -5.306 1.00 0.51 C ATOM 1129 C VAL A 72 -2.015 -16.745 -4.934 1.00 0.58 C ATOM 1130 O VAL A 72 -1.421 -17.463 -5.713 1.00 0.93 O ATOM 1131 CB VAL A 72 -4.066 -17.043 -6.305 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -4.407 -18.369 -5.622 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -5.353 -16.377 -6.797 1.00 1.02 C ATOM 0 H VAL A 72 -2.975 -14.796 -6.930 1.00 0.43 H new ATOM 0 HA VAL A 72 -3.975 -16.006 -4.416 1.00 0.51 H new ATOM 0 HB VAL A 72 -3.409 -17.227 -7.155 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.912 -19.024 -6.332 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -3.490 -18.846 -5.276 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -5.062 -18.182 -4.771 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -5.854 -17.034 -7.508 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -6.012 -16.189 -5.950 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -5.111 -15.433 -7.285 1.00 1.02 H new ATOM 1143 N ARG A 73 -1.513 -16.466 -3.760 1.00 0.44 N ATOM 1144 CA ARG A 73 -0.198 -17.027 -3.356 1.00 0.48 C ATOM 1145 C ARG A 73 -0.395 -18.296 -2.526 1.00 0.54 C ATOM 1146 O ARG A 73 -0.862 -18.245 -1.407 1.00 0.55 O ATOM 1147 CB ARG A 73 0.528 -15.973 -2.518 1.00 0.43 C ATOM 1148 CG ARG A 73 2.033 -16.223 -2.539 1.00 0.53 C ATOM 1149 CD ARG A 73 2.735 -15.116 -1.752 1.00 0.62 C ATOM 1150 NE ARG A 73 4.190 -15.416 -1.659 1.00 0.89 N ATOM 1151 CZ ARG A 73 4.610 -16.384 -0.890 1.00 1.42 C ATOM 1152 NH1 ARG A 73 3.753 -17.088 -0.202 1.00 2.23 N ATOM 1153 NH2 ARG A 73 5.885 -16.648 -0.811 1.00 1.70 N ATOM 0 H ARG A 73 -1.962 -15.871 -3.063 1.00 0.44 H new ATOM 0 HA ARG A 73 0.385 -17.283 -4.241 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.313 -14.978 -2.907 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.162 -16.000 -1.491 1.00 0.43 H new ATOM 0 HG2 ARG A 73 2.259 -17.196 -2.102 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.397 -16.243 -3.566 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.582 -14.154 -2.242 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.305 -15.037 -0.754 1.00 0.62 H new ATOM 0 HE ARG A 73 4.859 -14.865 -2.196 1.00 0.89 H new ATOM 0 HH11 ARG A 73 2.756 -16.882 -0.265 1.00 2.23 H new ATOM 0 HH12 ARG A 73 4.080 -17.844 0.399 1.00 2.23 H new ATOM 0 HH21 ARG A 73 6.554 -16.098 -1.350 1.00 1.70 H new ATOM 0 HH22 ARG A 73 6.213 -17.404 -0.210 1.00 1.70 H new ATOM 1167 N ASP A 74 -0.031 -19.426 -3.071 1.00 0.60 N ATOM 1168 CA ASP A 74 -0.168 -20.717 -2.332 1.00 0.68 C ATOM 1169 C ASP A 74 -1.608 -21.223 -2.417 1.00 0.68 C ATOM 1170 O ASP A 74 -2.139 -21.763 -1.467 1.00 0.69 O ATOM 1171 CB ASP A 74 0.223 -20.524 -0.866 1.00 0.68 C ATOM 1172 CG ASP A 74 0.847 -21.814 -0.328 1.00 0.79 C ATOM 1173 OD1 ASP A 74 0.106 -22.753 -0.091 1.00 1.38 O ATOM 1174 OD2 ASP A 74 2.055 -21.839 -0.163 1.00 1.27 O ATOM 0 H ASP A 74 0.361 -19.511 -4.009 1.00 0.60 H new ATOM 0 HA ASP A 74 0.495 -21.452 -2.787 1.00 0.68 H new ATOM 0 HB2 ASP A 74 0.930 -19.700 -0.773 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.655 -20.259 -0.277 1.00 0.68 H new ATOM 1179 N ARG A 75 -2.250 -21.038 -3.543 1.00 0.67 N ATOM 1180 CA ARG A 75 -3.664 -21.497 -3.699 1.00 0.69 C ATOM 1181 C ARG A 75 -4.551 -20.729 -2.719 1.00 0.59 C ATOM 1182 O ARG A 75 -5.579 -21.205 -2.278 1.00 0.64 O ATOM 1183 CB ARG A 75 -3.774 -23.011 -3.446 1.00 0.79 C ATOM 1184 CG ARG A 75 -3.939 -23.740 -4.781 1.00 0.87 C ATOM 1185 CD ARG A 75 -2.725 -23.454 -5.663 1.00 0.85 C ATOM 1186 NE ARG A 75 -2.196 -24.733 -6.214 1.00 1.25 N ATOM 1187 CZ ARG A 75 -1.403 -24.718 -7.250 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -1.071 -23.583 -7.801 1.00 2.62 N ATOM 1189 NH2 ARG A 75 -0.941 -25.839 -7.734 1.00 2.29 N ATOM 0 H ARG A 75 -1.852 -20.586 -4.366 1.00 0.67 H new ATOM 0 HA ARG A 75 -3.994 -21.301 -4.719 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -2.883 -23.370 -2.931 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -4.624 -23.221 -2.797 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -4.037 -24.813 -4.614 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -4.851 -23.410 -5.279 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -3.003 -22.783 -6.476 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -1.952 -22.949 -5.083 1.00 0.85 H new ATOM 0 HE ARG A 75 -2.454 -25.620 -5.782 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -1.431 -22.707 -7.422 1.00 2.62 H new ATOM 0 HH12 ARG A 75 -0.451 -23.571 -8.611 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -1.200 -26.726 -7.302 1.00 2.29 H new ATOM 0 HH22 ARG A 75 -0.321 -25.828 -8.544 1.00 2.29 H new ATOM 1203 N ARG A 76 -4.169 -19.528 -2.387 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.989 -18.721 -1.447 1.00 0.38 C ATOM 1205 C ARG A 76 -4.843 -17.245 -1.810 1.00 0.34 C ATOM 1206 O ARG A 76 -3.810 -16.816 -2.282 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.503 -18.942 -0.014 1.00 0.37 C ATOM 1208 CG ARG A 76 -5.664 -19.432 0.864 1.00 0.63 C ATOM 1209 CD ARG A 76 -6.099 -20.840 0.437 1.00 1.28 C ATOM 1210 NE ARG A 76 -6.632 -21.576 1.618 1.00 1.50 N ATOM 1211 CZ ARG A 76 -7.101 -22.786 1.473 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -7.100 -23.349 0.296 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -7.572 -23.432 2.504 1.00 2.82 N ATOM 0 H ARG A 76 -3.323 -19.071 -2.727 1.00 0.46 H new ATOM 0 HA ARG A 76 -6.034 -19.023 -1.519 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.695 -19.673 -0.004 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -4.098 -18.014 0.389 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -5.359 -19.440 1.910 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -6.506 -18.744 0.783 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -6.861 -20.777 -0.340 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -5.253 -21.380 0.010 1.00 1.28 H new ATOM 0 HE ARG A 76 -6.630 -21.135 2.538 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -6.733 -22.844 -0.511 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -7.466 -24.294 0.182 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -7.574 -22.992 3.424 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -7.938 -24.377 2.390 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.881 -16.476 -1.632 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.804 -15.039 -2.026 1.00 0.31 C ATOM 1229 C ARG A 77 -5.188 -14.206 -0.934 1.00 0.27 C ATOM 1230 O ARG A 77 -5.501 -14.318 0.235 1.00 0.29 O ATOM 1231 CB ARG A 77 -7.196 -14.492 -2.332 1.00 0.34 C ATOM 1232 CG ARG A 77 -7.061 -13.248 -3.220 1.00 0.58 C ATOM 1233 CD ARG A 77 -7.160 -13.645 -4.691 1.00 0.47 C ATOM 1234 NE ARG A 77 -7.134 -12.421 -5.543 1.00 1.21 N ATOM 1235 CZ ARG A 77 -8.246 -11.805 -5.854 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -9.391 -12.234 -5.395 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -8.210 -10.751 -6.622 1.00 2.44 N ATOM 0 H ARG A 77 -6.772 -16.775 -1.235 1.00 0.32 H new ATOM 0 HA ARG A 77 -5.178 -14.981 -2.917 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.796 -15.250 -2.835 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.713 -14.239 -1.406 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -7.843 -12.529 -2.975 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -6.106 -12.757 -3.030 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -6.333 -14.303 -4.957 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -8.080 -14.203 -4.866 1.00 0.47 H new ATOM 0 HE ARG A 77 -6.243 -12.061 -5.886 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -9.423 -13.054 -4.790 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -10.254 -11.749 -5.642 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -7.317 -10.410 -6.978 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -9.075 -10.268 -6.866 1.00 2.44 H new ATOM 1251 N ILE A 78 -4.274 -13.383 -1.339 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.556 -12.524 -0.395 1.00 0.20 C ATOM 1253 C ILE A 78 -3.344 -11.156 -1.037 1.00 0.19 C ATOM 1254 O ILE A 78 -3.398 -11.005 -2.242 1.00 0.21 O ATOM 1255 CB ILE A 78 -2.215 -13.174 -0.099 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.433 -12.286 0.819 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.417 -13.371 -1.387 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.263 -13.071 1.416 1.00 0.23 C ATOM 0 H ILE A 78 -3.993 -13.273 -2.313 1.00 0.23 H new ATOM 0 HA ILE A 78 -4.120 -12.399 0.529 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.391 -14.145 0.364 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -1.062 -11.418 0.274 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -2.077 -11.911 1.615 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.460 -13.838 -1.154 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.977 -14.012 -2.068 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.244 -12.404 -1.859 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.306 -12.424 2.084 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.645 -13.925 1.976 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.385 -13.424 0.614 1.00 0.23 H new ATOM 1270 N SER A 79 -3.181 -10.152 -0.238 1.00 0.20 N ATOM 1271 CA SER A 79 -3.054 -8.779 -0.785 1.00 0.22 C ATOM 1272 C SER A 79 -1.600 -8.458 -1.153 1.00 0.19 C ATOM 1273 O SER A 79 -0.661 -8.989 -0.597 1.00 0.22 O ATOM 1274 CB SER A 79 -3.535 -7.786 0.268 1.00 0.28 C ATOM 1275 OG SER A 79 -2.638 -6.692 0.322 1.00 0.74 O ATOM 0 H SER A 79 -3.129 -10.220 0.778 1.00 0.20 H new ATOM 0 HA SER A 79 -3.658 -8.707 -1.690 1.00 0.22 H new ATOM 0 HB2 SER A 79 -4.538 -7.437 0.024 1.00 0.28 H new ATOM 0 HB3 SER A 79 -3.594 -8.271 1.242 1.00 0.28 H new ATOM 0 HG SER A 79 -2.788 -6.187 1.148 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.444 -7.591 -2.117 1.00 0.19 N ATOM 1282 CA TYR A 80 -0.087 -7.187 -2.606 1.00 0.25 C ATOM 1283 C TYR A 80 -0.032 -5.660 -2.675 1.00 0.22 C ATOM 1284 O TYR A 80 -0.939 -5.029 -3.182 1.00 0.21 O ATOM 1285 CB TYR A 80 0.110 -7.756 -4.020 1.00 0.40 C ATOM 1286 CG TYR A 80 1.525 -8.230 -4.258 1.00 0.93 C ATOM 1287 CD1 TYR A 80 2.609 -7.434 -3.899 1.00 1.82 C ATOM 1288 CD2 TYR A 80 1.746 -9.479 -4.851 1.00 1.68 C ATOM 1289 CE1 TYR A 80 3.910 -7.885 -4.128 1.00 2.78 C ATOM 1290 CE2 TYR A 80 3.049 -9.930 -5.080 1.00 2.66 C ATOM 1291 CZ TYR A 80 4.133 -9.131 -4.717 1.00 3.08 C ATOM 1292 OH TYR A 80 5.423 -9.570 -4.940 1.00 4.16 O ATOM 0 H TYR A 80 -2.217 -7.133 -2.599 1.00 0.19 H new ATOM 0 HA TYR A 80 0.689 -7.562 -1.938 1.00 0.25 H new ATOM 0 HB2 TYR A 80 -0.579 -8.586 -4.174 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -0.143 -6.992 -4.755 1.00 0.40 H new ATOM 0 HD1 TYR A 80 2.444 -6.469 -3.444 1.00 1.82 H new ATOM 0 HD2 TYR A 80 0.906 -10.097 -5.133 1.00 1.68 H new ATOM 0 HE1 TYR A 80 4.750 -7.266 -3.848 1.00 2.78 H new ATOM 0 HE2 TYR A 80 3.216 -10.894 -5.537 1.00 2.66 H new ATOM 0 HH TYR A 80 5.399 -10.457 -5.356 1.00 4.16 H new ATOM 1302 N ILE A 81 1.037 -5.065 -2.209 1.00 0.25 N ATOM 1303 CA ILE A 81 1.179 -3.582 -2.286 1.00 0.27 C ATOM 1304 C ILE A 81 2.379 -3.265 -3.169 1.00 0.25 C ATOM 1305 O ILE A 81 3.477 -3.749 -2.954 1.00 0.26 O ATOM 1306 CB ILE A 81 1.417 -2.986 -0.899 1.00 0.34 C ATOM 1307 CG1 ILE A 81 1.320 -1.459 -0.973 1.00 0.76 C ATOM 1308 CG2 ILE A 81 2.816 -3.375 -0.413 1.00 0.92 C ATOM 1309 CD1 ILE A 81 1.875 -0.848 0.313 1.00 0.69 C ATOM 0 H ILE A 81 1.823 -5.549 -1.775 1.00 0.25 H new ATOM 0 HA ILE A 81 0.264 -3.155 -2.695 1.00 0.27 H new ATOM 0 HB ILE A 81 0.665 -3.368 -0.208 1.00 0.34 H new ATOM 0 HG12 ILE A 81 1.878 -1.090 -1.833 1.00 0.76 H new ATOM 0 HG13 ILE A 81 0.282 -1.157 -1.113 1.00 0.76 H new ATOM 0 HG21 ILE A 81 2.988 -2.951 0.576 1.00 0.92 H new ATOM 0 HG22 ILE A 81 2.894 -4.461 -0.361 1.00 0.92 H new ATOM 0 HG23 ILE A 81 3.563 -2.990 -1.108 1.00 0.92 H new ATOM 0 HD11 ILE A 81 1.805 0.238 0.259 1.00 0.69 H new ATOM 0 HD12 ILE A 81 1.298 -1.207 1.165 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.918 -1.139 0.433 1.00 0.69 H new ATOM 1321 N LEU A 82 2.167 -2.452 -4.153 1.00 0.25 N ATOM 1322 CA LEU A 82 3.259 -2.063 -5.076 1.00 0.25 C ATOM 1323 C LEU A 82 3.627 -0.610 -4.760 1.00 0.25 C ATOM 1324 O LEU A 82 2.776 0.256 -4.800 1.00 0.29 O ATOM 1325 CB LEU A 82 2.734 -2.187 -6.509 1.00 0.29 C ATOM 1326 CG LEU A 82 1.961 -3.499 -6.664 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.531 -3.663 -8.122 1.00 0.36 C ATOM 1328 CD2 LEU A 82 2.858 -4.675 -6.261 1.00 0.32 C ATOM 0 H LEU A 82 1.262 -2.030 -4.363 1.00 0.25 H new ATOM 0 HA LEU A 82 4.139 -2.697 -4.964 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.086 -1.342 -6.744 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.564 -2.157 -7.215 1.00 0.29 H new ATOM 0 HG LEU A 82 1.080 -3.480 -6.022 1.00 0.32 H new ATOM 0 HD11 LEU A 82 0.980 -4.597 -8.236 1.00 0.36 H new ATOM 0 HD12 LEU A 82 0.893 -2.828 -8.409 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.413 -3.682 -8.762 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.306 -5.608 -6.372 1.00 0.32 H new ATOM 0 HD22 LEU A 82 3.740 -4.696 -6.902 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.167 -4.558 -5.222 1.00 0.32 H new ATOM 1340 N LEU A 83 4.863 -0.332 -4.397 1.00 0.22 N ATOM 1341 CA LEU A 83 5.231 1.069 -4.029 1.00 0.23 C ATOM 1342 C LEU A 83 6.517 1.507 -4.739 1.00 0.21 C ATOM 1343 O LEU A 83 7.545 0.865 -4.659 1.00 0.20 O ATOM 1344 CB LEU A 83 5.437 1.136 -2.516 1.00 0.23 C ATOM 1345 CG LEU A 83 5.947 2.516 -2.114 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.180 3.006 -0.884 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.431 2.415 -1.781 1.00 0.98 C ATOM 0 H LEU A 83 5.622 -1.011 -4.342 1.00 0.22 H new ATOM 0 HA LEU A 83 4.429 1.739 -4.338 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.498 0.924 -2.004 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.149 0.372 -2.205 1.00 0.23 H new ATOM 0 HG LEU A 83 5.798 3.219 -2.934 1.00 0.52 H new ATOM 0 HD11 LEU A 83 5.545 3.992 -0.597 1.00 0.52 H new ATOM 0 HD12 LEU A 83 4.117 3.066 -1.118 1.00 0.52 H new ATOM 0 HD13 LEU A 83 5.331 2.309 -0.060 1.00 0.52 H new ATOM 0 HD21 LEU A 83 7.807 3.397 -1.492 1.00 0.98 H new ATOM 0 HD22 LEU A 83 7.572 1.715 -0.957 1.00 0.98 H new ATOM 0 HD23 LEU A 83 7.977 2.061 -2.655 1.00 0.98 H new ATOM 1359 N ARG A 84 6.438 2.617 -5.425 1.00 0.22 N ATOM 1360 CA ARG A 84 7.626 3.145 -6.149 1.00 0.21 C ATOM 1361 C ARG A 84 8.272 4.269 -5.342 1.00 0.21 C ATOM 1362 O ARG A 84 7.728 4.730 -4.361 1.00 0.23 O ATOM 1363 CB ARG A 84 7.219 3.642 -7.538 1.00 0.23 C ATOM 1364 CG ARG A 84 8.202 3.081 -8.564 1.00 0.25 C ATOM 1365 CD ARG A 84 7.803 3.498 -9.977 1.00 0.31 C ATOM 1366 NE ARG A 84 8.757 2.906 -10.956 1.00 0.40 N ATOM 1367 CZ ARG A 84 8.506 2.973 -12.234 1.00 0.48 C ATOM 1368 NH1 ARG A 84 7.421 3.561 -12.657 1.00 0.49 N ATOM 1369 NH2 ARG A 84 9.341 2.452 -13.090 1.00 0.58 N ATOM 0 H ARG A 84 5.594 3.183 -5.514 1.00 0.22 H new ATOM 0 HA ARG A 84 8.354 2.343 -6.271 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.204 3.321 -7.772 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.224 4.732 -7.566 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.208 3.438 -8.344 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.228 1.994 -8.494 1.00 0.25 H new ATOM 0 HD2 ARG A 84 6.788 3.164 -10.194 1.00 0.31 H new ATOM 0 HD3 ARG A 84 7.806 4.585 -10.062 1.00 0.31 H new ATOM 0 HE ARG A 84 9.607 2.448 -10.627 1.00 0.40 H new ATOM 0 HH11 ARG A 84 6.768 3.969 -11.988 1.00 0.49 H new ATOM 0 HH12 ARG A 84 7.226 3.613 -13.657 1.00 0.49 H new ATOM 0 HH21 ARG A 84 10.190 1.993 -12.760 1.00 0.58 H new ATOM 0 HH22 ARG A 84 9.145 2.504 -14.090 1.00 0.58 H new ATOM 1383 N LEU A 85 9.423 4.723 -5.762 1.00 0.20 N ATOM 1384 CA LEU A 85 10.084 5.839 -5.012 1.00 0.21 C ATOM 1385 C LEU A 85 11.098 6.547 -5.888 1.00 0.21 C ATOM 1386 O LEU A 85 11.775 5.944 -6.680 1.00 0.22 O ATOM 1387 CB LEU A 85 10.793 5.306 -3.769 1.00 0.23 C ATOM 1388 CG LEU A 85 10.647 6.296 -2.610 1.00 0.53 C ATOM 1389 CD1 LEU A 85 9.304 6.096 -1.904 1.00 1.39 C ATOM 1390 CD2 LEU A 85 11.774 6.061 -1.607 1.00 0.94 C ATOM 0 H LEU A 85 9.930 4.379 -6.578 1.00 0.20 H new ATOM 0 HA LEU A 85 9.307 6.543 -4.715 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.372 4.341 -3.487 1.00 0.23 H new ATOM 0 HB3 LEU A 85 11.849 5.142 -3.986 1.00 0.23 H new ATOM 0 HG LEU A 85 10.695 7.311 -3.004 1.00 0.53 H new ATOM 0 HD11 LEU A 85 9.215 6.807 -1.083 1.00 1.39 H new ATOM 0 HD12 LEU A 85 8.492 6.258 -2.613 1.00 1.39 H new ATOM 0 HD13 LEU A 85 9.246 5.080 -1.512 1.00 1.39 H new ATOM 0 HD21 LEU A 85 11.676 6.763 -0.779 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.716 5.041 -1.227 1.00 0.94 H new ATOM 0 HD23 LEU A 85 12.735 6.211 -2.098 1.00 0.94 H new ATOM 1402 N LYS A 86 11.176 7.835 -5.744 1.00 0.22 N ATOM 1403 CA LYS A 86 12.121 8.651 -6.563 1.00 0.24 C ATOM 1404 C LYS A 86 13.083 9.423 -5.658 1.00 0.23 C ATOM 1405 O LYS A 86 12.695 9.937 -4.636 1.00 0.28 O ATOM 1406 CB LYS A 86 11.297 9.659 -7.353 1.00 0.27 C ATOM 1407 CG LYS A 86 12.123 10.296 -8.469 1.00 0.38 C ATOM 1408 CD LYS A 86 12.306 11.781 -8.153 1.00 0.72 C ATOM 1409 CE LYS A 86 13.113 12.457 -9.262 1.00 0.72 C ATOM 1410 NZ LYS A 86 13.453 13.848 -8.846 1.00 1.42 N ATOM 0 H LYS A 86 10.616 8.372 -5.082 1.00 0.22 H new ATOM 0 HA LYS A 86 12.696 7.997 -7.218 1.00 0.24 H new ATOM 0 HB2 LYS A 86 10.425 9.164 -7.780 1.00 0.27 H new ATOM 0 HB3 LYS A 86 10.927 10.435 -6.683 1.00 0.27 H new ATOM 0 HG2 LYS A 86 13.092 9.804 -8.550 1.00 0.38 H new ATOM 0 HG3 LYS A 86 11.621 10.172 -9.429 1.00 0.38 H new ATOM 0 HD2 LYS A 86 11.333 12.263 -8.055 1.00 0.72 H new ATOM 0 HD3 LYS A 86 12.817 11.897 -7.197 1.00 0.72 H new ATOM 0 HE2 LYS A 86 14.024 11.892 -9.461 1.00 0.72 H new ATOM 0 HE3 LYS A 86 12.538 12.472 -10.188 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 14.002 14.311 -9.598 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 12.578 14.383 -8.677 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 14.017 13.821 -7.972 1.00 1.42 H new ATOM 1424 N ARG A 87 14.327 9.533 -6.038 1.00 0.24 N ATOM 1425 CA ARG A 87 15.294 10.307 -5.194 1.00 0.24 C ATOM 1426 C ARG A 87 15.471 11.709 -5.769 1.00 0.26 C ATOM 1427 O ARG A 87 15.605 11.888 -6.964 1.00 0.28 O ATOM 1428 CB ARG A 87 16.656 9.621 -5.179 1.00 0.27 C ATOM 1429 CG ARG A 87 16.522 8.224 -4.572 1.00 0.62 C ATOM 1430 CD ARG A 87 16.159 8.330 -3.086 1.00 0.43 C ATOM 1431 NE ARG A 87 16.647 7.114 -2.378 1.00 0.48 N ATOM 1432 CZ ARG A 87 16.125 5.948 -2.645 1.00 0.80 C ATOM 1433 NH1 ARG A 87 15.143 5.853 -3.499 1.00 1.64 N ATOM 1434 NH2 ARG A 87 16.582 4.879 -2.053 1.00 0.86 N ATOM 0 H ARG A 87 14.717 9.126 -6.888 1.00 0.24 H new ATOM 0 HA ARG A 87 14.897 10.359 -4.180 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.050 9.551 -6.193 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.366 10.213 -4.601 1.00 0.27 H new ATOM 0 HG2 ARG A 87 15.755 7.660 -5.103 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.458 7.677 -4.688 1.00 0.62 H new ATOM 0 HD2 ARG A 87 16.608 9.224 -2.652 1.00 0.43 H new ATOM 0 HD3 ARG A 87 15.080 8.426 -2.968 1.00 0.43 H new ATOM 0 HE ARG A 87 17.390 7.193 -1.684 1.00 0.48 H new ATOM 0 HH11 ARG A 87 14.783 6.690 -3.958 1.00 1.64 H new ATOM 0 HH12 ARG A 87 14.735 4.942 -3.708 1.00 1.64 H new ATOM 0 HH21 ARG A 87 17.347 4.955 -1.382 1.00 0.86 H new ATOM 0 HH22 ARG A 87 16.175 3.967 -2.261 1.00 0.86 H new ATOM 1448 N VAL A 88 15.492 12.698 -4.918 1.00 0.27 N ATOM 1449 CA VAL A 88 15.685 14.103 -5.388 1.00 0.30 C ATOM 1450 C VAL A 88 17.050 14.589 -4.915 1.00 0.31 C ATOM 1451 O VAL A 88 17.460 15.699 -5.188 1.00 0.35 O ATOM 1452 CB VAL A 88 14.597 15.001 -4.802 1.00 0.31 C ATOM 1453 CG1 VAL A 88 14.372 16.200 -5.726 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.294 14.214 -4.665 1.00 0.63 C ATOM 0 H VAL A 88 15.383 12.594 -3.909 1.00 0.27 H new ATOM 0 HA VAL A 88 15.627 14.139 -6.476 1.00 0.30 H new ATOM 0 HB VAL A 88 14.912 15.351 -3.819 1.00 0.31 H new ATOM 0 HG11 VAL A 88 13.596 16.841 -5.308 1.00 0.49 H new ATOM 0 HG12 VAL A 88 15.299 16.766 -5.819 1.00 0.49 H new ATOM 0 HG13 VAL A 88 14.061 15.848 -6.710 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.522 14.859 -4.247 1.00 0.63 H new ATOM 0 HG22 VAL A 88 12.978 13.859 -5.646 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.452 13.361 -4.004 1.00 0.63 H new ATOM 1464 N TYR A 89 17.759 13.753 -4.213 1.00 0.31 N ATOM 1465 CA TYR A 89 19.105 14.148 -3.724 1.00 0.37 C ATOM 1466 C TYR A 89 19.798 12.936 -3.099 1.00 0.49 C ATOM 1467 O TYR A 89 19.320 11.832 -3.306 1.00 1.12 O ATOM 1468 CB TYR A 89 18.969 15.256 -2.678 1.00 0.35 C ATOM 1469 CG TYR A 89 20.245 16.061 -2.632 1.00 0.51 C ATOM 1470 CD1 TYR A 89 20.481 17.055 -3.590 1.00 1.46 C ATOM 1471 CD2 TYR A 89 21.192 15.814 -1.632 1.00 1.13 C ATOM 1472 CE1 TYR A 89 21.665 17.800 -3.548 1.00 1.76 C ATOM 1473 CE2 TYR A 89 22.376 16.560 -1.590 1.00 1.28 C ATOM 1474 CZ TYR A 89 22.612 17.554 -2.549 1.00 1.27 C ATOM 1475 OH TYR A 89 23.779 18.288 -2.507 1.00 1.67 O ATOM 1476 OXT TYR A 89 20.795 13.132 -2.423 1.00 1.00 O ATOM 0 H TYR A 89 17.463 12.811 -3.957 1.00 0.31 H new ATOM 0 HA TYR A 89 19.699 14.514 -4.561 1.00 0.37 H new ATOM 0 HB2 TYR A 89 18.127 15.903 -2.924 1.00 0.35 H new ATOM 0 HB3 TYR A 89 18.763 14.824 -1.699 1.00 0.35 H new ATOM 0 HD1 TYR A 89 19.749 17.247 -4.361 1.00 1.46 H new ATOM 0 HD2 TYR A 89 21.010 15.048 -0.893 1.00 1.13 H new ATOM 0 HE1 TYR A 89 21.847 18.565 -4.288 1.00 1.76 H new ATOM 0 HE2 TYR A 89 23.107 16.369 -0.819 1.00 1.28 H new ATOM 0 HH TYR A 89 24.326 17.990 -1.750 1.00 1.67 H new TER 1486 TYR A 89 ATOM 1487 N MET B 1 -21.140 9.375 4.334 1.00 3.96 N ATOM 1488 CA MET B 1 -22.115 9.944 3.362 1.00 3.21 C ATOM 1489 C MET B 1 -21.649 11.334 2.926 1.00 2.20 C ATOM 1490 O MET B 1 -21.849 12.309 3.622 1.00 2.41 O ATOM 1491 CB MET B 1 -23.491 10.051 4.024 1.00 3.93 C ATOM 1492 CG MET B 1 -24.369 11.015 3.223 1.00 4.72 C ATOM 1493 SD MET B 1 -26.110 10.586 3.463 1.00 5.70 S ATOM 1494 CE MET B 1 -26.809 11.876 2.402 1.00 6.35 C ATOM 0 H1 MET B 1 -21.629 8.713 4.970 1.00 3.96 H new ATOM 0 H2 MET B 1 -20.391 8.870 3.819 1.00 3.96 H new ATOM 0 H3 MET B 1 -20.718 10.144 4.893 1.00 3.96 H new ATOM 0 HA MET B 1 -22.181 9.293 2.490 1.00 3.21 H new ATOM 0 HB2 MET B 1 -23.961 9.069 4.072 1.00 3.93 H new ATOM 0 HB3 MET B 1 -23.386 10.404 5.050 1.00 3.93 H new ATOM 0 HG2 MET B 1 -24.188 12.041 3.545 1.00 4.72 H new ATOM 0 HG3 MET B 1 -24.113 10.963 2.165 1.00 4.72 H new ATOM 0 HE1 MET B 1 -27.896 11.798 2.402 1.00 6.35 H new ATOM 0 HE2 MET B 1 -26.516 12.856 2.779 1.00 6.35 H new ATOM 0 HE3 MET B 1 -26.436 11.752 1.385 1.00 6.35 H new ATOM 1506 N THR B 2 -21.026 11.433 1.780 1.00 1.60 N ATOM 1507 CA THR B 2 -20.546 12.761 1.304 1.00 1.14 C ATOM 1508 C THR B 2 -20.692 12.854 -0.212 1.00 0.94 C ATOM 1509 O THR B 2 -20.154 13.741 -0.843 1.00 1.61 O ATOM 1510 CB THR B 2 -19.076 12.941 1.685 1.00 1.83 C ATOM 1511 OG1 THR B 2 -18.266 12.159 0.818 1.00 2.42 O ATOM 1512 CG2 THR B 2 -18.863 12.493 3.131 1.00 2.32 C ATOM 0 H THR B 2 -20.830 10.651 1.155 1.00 1.60 H new ATOM 0 HA THR B 2 -21.143 13.544 1.771 1.00 1.14 H new ATOM 0 HB THR B 2 -18.801 13.991 1.590 1.00 1.83 H new ATOM 0 HG1 THR B 2 -18.501 11.213 0.916 1.00 2.42 H new ATOM 0 HG21 THR B 2 -17.815 12.622 3.401 1.00 2.32 H new ATOM 0 HG22 THR B 2 -19.485 13.095 3.794 1.00 2.32 H new ATOM 0 HG23 THR B 2 -19.137 11.443 3.231 1.00 2.32 H new ATOM 1520 N GLU B 3 -21.422 11.951 -0.800 1.00 0.88 N ATOM 1521 CA GLU B 3 -21.615 11.994 -2.277 1.00 0.65 C ATOM 1522 C GLU B 3 -20.326 11.581 -2.979 1.00 0.59 C ATOM 1523 O GLU B 3 -20.323 10.738 -3.849 1.00 0.81 O ATOM 1524 CB GLU B 3 -21.972 13.417 -2.689 1.00 0.93 C ATOM 1525 CG GLU B 3 -22.959 13.367 -3.843 1.00 0.89 C ATOM 1526 CD GLU B 3 -23.281 14.789 -4.309 1.00 1.04 C ATOM 1527 OE1 GLU B 3 -23.819 15.544 -3.516 1.00 1.68 O ATOM 1528 OE2 GLU B 3 -22.985 15.097 -5.451 1.00 1.56 O ATOM 0 H GLU B 3 -21.895 11.183 -0.323 1.00 0.88 H new ATOM 0 HA GLU B 3 -22.415 11.309 -2.558 1.00 0.65 H new ATOM 0 HB2 GLU B 3 -22.406 13.955 -1.846 1.00 0.93 H new ATOM 0 HB3 GLU B 3 -21.074 13.959 -2.985 1.00 0.93 H new ATOM 0 HG2 GLU B 3 -22.540 12.790 -4.667 1.00 0.89 H new ATOM 0 HG3 GLU B 3 -23.872 12.861 -3.531 1.00 0.89 H new ATOM 1535 N LYS B 4 -19.233 12.178 -2.615 1.00 0.65 N ATOM 1536 CA LYS B 4 -17.938 11.813 -3.257 1.00 0.57 C ATOM 1537 C LYS B 4 -16.783 12.191 -2.342 1.00 0.51 C ATOM 1538 O LYS B 4 -15.895 12.929 -2.720 1.00 0.47 O ATOM 1539 CB LYS B 4 -17.778 12.544 -4.584 1.00 0.60 C ATOM 1540 CG LYS B 4 -17.938 14.044 -4.357 1.00 1.06 C ATOM 1541 CD LYS B 4 -19.069 14.588 -5.231 1.00 1.25 C ATOM 1542 CE LYS B 4 -19.333 16.047 -4.863 1.00 1.83 C ATOM 1543 NZ LYS B 4 -19.223 16.898 -6.082 1.00 2.31 N ATOM 0 H LYS B 4 -19.175 12.904 -1.901 1.00 0.65 H new ATOM 0 HA LYS B 4 -17.933 10.738 -3.435 1.00 0.57 H new ATOM 0 HB2 LYS B 4 -16.799 12.332 -5.013 1.00 0.60 H new ATOM 0 HB3 LYS B 4 -18.522 12.191 -5.298 1.00 0.60 H new ATOM 0 HG2 LYS B 4 -18.153 14.240 -3.307 1.00 1.06 H new ATOM 0 HG3 LYS B 4 -17.006 14.557 -4.593 1.00 1.06 H new ATOM 0 HD2 LYS B 4 -18.800 14.509 -6.284 1.00 1.25 H new ATOM 0 HD3 LYS B 4 -19.972 13.995 -5.087 1.00 1.25 H new ATOM 0 HE2 LYS B 4 -20.326 16.148 -4.425 1.00 1.83 H new ATOM 0 HE3 LYS B 4 -18.617 16.378 -4.110 1.00 1.83 H new ATOM 0 HZ1 LYS B 4 -19.403 17.891 -5.830 1.00 2.31 H new ATOM 0 HZ2 LYS B 4 -18.267 16.810 -6.482 1.00 2.31 H new ATOM 0 HZ3 LYS B 4 -19.922 16.588 -6.786 1.00 2.31 H new ATOM 1557 N LEU B 5 -16.773 11.680 -1.147 1.00 0.55 N ATOM 1558 CA LEU B 5 -15.657 12.001 -0.215 1.00 0.57 C ATOM 1559 C LEU B 5 -15.842 11.180 1.061 1.00 0.76 C ATOM 1560 O LEU B 5 -15.767 11.685 2.163 1.00 1.59 O ATOM 1561 CB LEU B 5 -15.667 13.503 0.119 1.00 0.62 C ATOM 1562 CG LEU B 5 -14.229 14.007 0.278 1.00 0.90 C ATOM 1563 CD1 LEU B 5 -14.244 15.511 0.555 1.00 1.35 C ATOM 1564 CD2 LEU B 5 -13.557 13.283 1.447 1.00 1.62 C ATOM 0 H LEU B 5 -17.487 11.055 -0.773 1.00 0.55 H new ATOM 0 HA LEU B 5 -14.701 11.758 -0.679 1.00 0.57 H new ATOM 0 HB2 LEU B 5 -16.171 14.058 -0.672 1.00 0.62 H new ATOM 0 HB3 LEU B 5 -16.227 13.677 1.038 1.00 0.62 H new ATOM 0 HG LEU B 5 -13.674 13.809 -0.639 1.00 0.90 H new ATOM 0 HD11 LEU B 5 -13.221 15.870 0.668 1.00 1.35 H new ATOM 0 HD12 LEU B 5 -14.721 16.029 -0.277 1.00 1.35 H new ATOM 0 HD13 LEU B 5 -14.801 15.707 1.471 1.00 1.35 H new ATOM 0 HD21 LEU B 5 -12.534 13.643 1.558 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -14.113 13.479 2.364 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -13.545 12.211 1.252 1.00 1.62 H new ATOM 1576 N ASN B 6 -16.116 9.919 0.915 1.00 0.33 N ATOM 1577 CA ASN B 6 -16.348 9.058 2.100 1.00 0.35 C ATOM 1578 C ASN B 6 -15.050 8.390 2.547 1.00 0.29 C ATOM 1579 O ASN B 6 -14.501 7.557 1.863 1.00 0.32 O ATOM 1580 CB ASN B 6 -17.367 7.995 1.721 1.00 0.52 C ATOM 1581 CG ASN B 6 -17.863 7.281 2.976 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -18.828 7.812 3.676 1.00 1.46 O flip ATOM 1583 ND2 ASN B 6 -17.370 6.229 3.323 1.00 0.99 N flip ATOM 0 H ASN B 6 -16.190 9.443 0.016 1.00 0.33 H new ATOM 0 HA ASN B 6 -16.716 9.666 2.926 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -18.206 8.453 1.197 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -16.918 7.276 1.036 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -16.616 5.814 2.776 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -17.710 5.759 4.162 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.581 8.719 3.710 1.00 0.28 N ATOM 1591 CA GLU B 7 -13.342 8.072 4.214 1.00 0.30 C ATOM 1592 C GLU B 7 -13.742 6.866 5.065 1.00 0.32 C ATOM 1593 O GLU B 7 -14.411 7.007 6.070 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.544 9.076 5.036 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.274 9.369 6.348 1.00 0.53 C ATOM 1596 CD GLU B 7 -12.855 10.745 6.870 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -13.389 11.729 6.382 1.00 1.49 O ATOM 1598 OE2 GLU B 7 -12.009 10.793 7.747 1.00 1.08 O ATOM 0 H GLU B 7 -15.000 9.407 4.336 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.717 7.737 3.386 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.549 8.681 5.243 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -12.410 9.998 4.470 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -14.352 9.341 6.190 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -13.040 8.602 7.086 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.353 5.683 4.658 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.726 4.457 5.429 1.00 0.38 C ATOM 1607 C ILE B 8 -12.488 3.814 6.045 1.00 0.34 C ATOM 1608 O ILE B 8 -11.472 3.634 5.400 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.390 3.452 4.495 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.527 4.136 3.736 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -14.952 2.285 5.310 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.165 3.139 2.767 1.00 1.17 C ATOM 0 H ILE B 8 -12.792 5.513 3.823 1.00 0.33 H new ATOM 0 HA ILE B 8 -14.413 4.744 6.225 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.652 3.076 3.786 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -16.275 4.508 4.437 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -15.146 4.998 3.189 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.426 1.568 4.640 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -14.142 1.795 5.851 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.689 2.659 6.021 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -16.976 3.626 2.225 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -15.414 2.789 2.058 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.560 2.291 3.326 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.583 3.457 7.291 1.00 0.32 N ATOM 1625 CA VAL B 9 -11.441 2.808 7.982 1.00 0.30 C ATOM 1626 C VAL B 9 -11.644 1.295 8.002 1.00 0.27 C ATOM 1627 O VAL B 9 -12.644 0.798 8.478 1.00 0.28 O ATOM 1628 CB VAL B 9 -11.339 3.332 9.414 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -12.736 3.409 10.033 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -10.466 2.384 10.240 1.00 1.27 C ATOM 0 H VAL B 9 -13.414 3.589 7.867 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.520 3.040 7.448 1.00 0.30 H new ATOM 0 HB VAL B 9 -10.892 4.326 9.406 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -12.661 3.783 11.054 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -13.358 4.083 9.444 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -13.185 2.416 10.042 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -10.392 2.756 11.262 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -10.914 1.390 10.247 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -9.470 2.330 9.800 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.710 0.564 7.474 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.867 -0.913 7.451 1.00 0.22 C ATOM 1642 C VAL B 10 -10.285 -1.472 8.741 1.00 0.20 C ATOM 1643 O VAL B 10 -9.588 -0.787 9.462 1.00 0.21 O ATOM 1644 CB VAL B 10 -10.131 -1.488 6.236 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.690 -1.847 6.610 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.855 -2.744 5.751 1.00 0.37 C ATOM 0 H VAL B 10 -9.849 0.921 7.059 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.919 -1.187 7.374 1.00 0.22 H new ATOM 0 HB VAL B 10 -10.117 -0.739 5.444 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -8.178 -2.254 5.738 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -8.169 -0.952 6.951 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.695 -2.590 7.407 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.333 -3.154 4.887 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.872 -3.485 6.550 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.877 -2.489 5.470 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.580 -2.703 9.051 1.00 0.19 N ATOM 1657 CA ARG B 11 -10.059 -3.295 10.310 1.00 0.20 C ATOM 1658 C ARG B 11 -9.678 -4.751 10.075 1.00 0.21 C ATOM 1659 O ARG B 11 -9.901 -5.303 9.016 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.131 -3.223 11.399 1.00 0.22 C ATOM 1661 CG ARG B 11 -11.947 -1.938 11.239 1.00 0.51 C ATOM 1662 CD ARG B 11 -12.785 -1.705 12.495 1.00 0.49 C ATOM 1663 NE ARG B 11 -13.879 -0.740 12.193 1.00 1.28 N ATOM 1664 CZ ARG B 11 -13.632 0.541 12.174 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -12.428 0.976 12.427 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -14.589 1.387 11.905 1.00 2.37 N ATOM 0 H ARG B 11 -11.160 -3.324 8.486 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.180 -2.735 10.628 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -11.787 -4.091 11.335 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -10.664 -3.248 12.384 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.282 -1.091 11.071 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.595 -2.013 10.366 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -13.205 -2.648 12.845 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -12.157 -1.319 13.297 1.00 0.49 H new ATOM 0 HE ARG B 11 -14.821 -1.081 12.001 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -11.681 0.315 12.639 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -12.234 1.977 12.412 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -15.530 1.047 11.710 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -14.395 2.388 11.890 1.00 2.37 H new ATOM 1680 N LYS B 12 -9.117 -5.374 11.069 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.723 -6.798 10.941 1.00 0.25 C ATOM 1682 C LYS B 12 -9.755 -7.647 11.662 1.00 0.25 C ATOM 1683 O LYS B 12 -9.749 -8.860 11.586 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.362 -6.999 11.599 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.492 -6.810 13.112 1.00 0.43 C ATOM 1686 CD LYS B 12 -6.246 -6.102 13.648 1.00 1.00 C ATOM 1687 CE LYS B 12 -6.345 -5.972 15.168 1.00 0.99 C ATOM 1688 NZ LYS B 12 -7.225 -4.820 15.513 1.00 1.75 N ATOM 0 H LYS B 12 -8.913 -4.951 11.975 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.667 -7.083 9.890 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -6.983 -7.997 11.378 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.642 -6.288 11.194 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -8.382 -6.224 13.341 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -7.612 -7.777 13.601 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -5.352 -6.664 13.378 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -6.152 -5.116 13.194 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -6.746 -6.890 15.597 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -5.353 -5.827 15.596 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -7.292 -4.732 16.547 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -6.824 -3.946 15.116 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -8.174 -4.977 15.117 1.00 1.75 H new ATOM 1702 N THR B 13 -10.635 -7.012 12.380 1.00 0.25 N ATOM 1703 CA THR B 13 -11.658 -7.780 13.126 1.00 0.36 C ATOM 1704 C THR B 13 -12.838 -8.091 12.206 1.00 0.49 C ATOM 1705 O THR B 13 -13.649 -8.949 12.495 1.00 0.91 O ATOM 1706 CB THR B 13 -12.138 -6.973 14.333 1.00 0.45 C ATOM 1707 OG1 THR B 13 -12.897 -7.814 15.191 1.00 1.19 O ATOM 1708 CG2 THR B 13 -13.008 -5.806 13.862 1.00 1.07 C ATOM 0 H THR B 13 -10.688 -5.998 12.481 1.00 0.25 H new ATOM 0 HA THR B 13 -11.220 -8.714 13.477 1.00 0.36 H new ATOM 0 HB THR B 13 -11.275 -6.583 14.873 1.00 0.45 H new ATOM 0 HG1 THR B 13 -13.204 -7.299 15.966 1.00 1.19 H new ATOM 0 HG21 THR B 13 -13.348 -5.234 14.725 1.00 1.07 H new ATOM 0 HG22 THR B 13 -12.426 -5.160 13.205 1.00 1.07 H new ATOM 0 HG23 THR B 13 -13.871 -6.192 13.320 1.00 1.07 H new ATOM 1716 N LYS B 14 -12.922 -7.432 11.080 1.00 0.31 N ATOM 1717 CA LYS B 14 -14.022 -7.722 10.124 1.00 0.38 C ATOM 1718 C LYS B 14 -13.523 -8.728 9.082 1.00 0.44 C ATOM 1719 O LYS B 14 -13.158 -9.842 9.401 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.444 -6.426 9.443 1.00 0.41 C ATOM 1721 CG LYS B 14 -15.304 -5.624 10.415 1.00 0.68 C ATOM 1722 CD LYS B 14 -14.989 -4.136 10.293 1.00 0.90 C ATOM 1723 CE LYS B 14 -15.749 -3.380 11.378 1.00 1.34 C ATOM 1724 NZ LYS B 14 -17.166 -3.843 11.409 1.00 1.47 N ATOM 0 H LYS B 14 -12.272 -6.704 10.784 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.879 -8.144 10.649 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.567 -5.850 9.150 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -15.003 -6.642 8.532 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -16.360 -5.798 10.207 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -15.121 -5.959 11.436 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -13.917 -3.968 10.397 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -15.275 -3.770 9.307 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.280 -3.546 12.348 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -15.710 -2.308 11.184 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -17.757 -3.120 11.867 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -17.501 -4.000 10.437 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -17.229 -4.732 11.945 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.507 -8.338 7.837 1.00 0.41 N ATOM 1739 CA ASN B 15 -13.038 -9.253 6.766 1.00 0.31 C ATOM 1740 C ASN B 15 -12.879 -8.462 5.468 1.00 0.26 C ATOM 1741 O ASN B 15 -13.310 -7.331 5.361 1.00 0.30 O ATOM 1742 CB ASN B 15 -14.064 -10.367 6.556 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.451 -11.709 6.956 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -13.557 -12.125 8.093 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -12.809 -12.410 6.062 1.00 1.21 N ATOM 0 H ASN B 15 -13.802 -7.416 7.516 1.00 0.41 H new ATOM 0 HA ASN B 15 -12.082 -9.692 7.053 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -14.956 -10.171 7.151 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -14.377 -10.395 5.512 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -12.396 -13.307 6.317 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -12.720 -12.061 5.108 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.263 -9.047 4.485 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.074 -8.331 3.194 1.00 0.25 C ATOM 1754 C VAL B 16 -13.431 -8.152 2.519 1.00 0.24 C ATOM 1755 O VAL B 16 -13.728 -7.125 1.932 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.168 -9.157 2.275 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -9.859 -9.495 2.991 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -11.885 -10.454 1.894 1.00 0.45 C ATOM 0 H VAL B 16 -11.881 -9.992 4.518 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.617 -7.360 3.382 1.00 0.25 H new ATOM 0 HB VAL B 16 -10.945 -8.578 1.379 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.223 -10.082 2.329 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.345 -8.573 3.264 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.075 -10.071 3.891 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -11.244 -11.045 1.240 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -12.109 -11.024 2.795 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.814 -10.217 1.375 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.273 -9.136 2.614 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.606 -9.019 1.984 1.00 0.27 C ATOM 1770 C GLU B 17 -16.494 -8.129 2.837 1.00 0.28 C ATOM 1771 O GLU B 17 -17.360 -7.450 2.333 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.251 -10.398 1.863 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.836 -10.809 3.215 1.00 0.79 C ATOM 1774 CD GLU B 17 -17.025 -12.326 3.252 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -17.634 -12.850 2.332 1.00 1.70 O ATOM 1776 OE2 GLU B 17 -16.560 -12.939 4.197 1.00 1.53 O ATOM 0 H GLU B 17 -14.094 -10.015 3.100 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.491 -8.586 0.991 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -17.035 -10.379 1.106 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -15.512 -11.130 1.537 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -16.172 -10.495 4.020 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.791 -10.309 3.376 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.315 -8.120 4.128 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.187 -7.280 4.977 1.00 0.35 C ATOM 1785 C ASP B 18 -17.039 -5.807 4.632 1.00 0.32 C ATOM 1786 O ASP B 18 -17.999 -5.063 4.725 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.801 -7.468 6.438 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.975 -8.061 7.222 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -19.093 -7.625 6.999 1.00 1.46 O ATOM 1790 OD2 ASP B 18 -17.734 -8.934 8.038 1.00 1.19 O ATOM 0 H ASP B 18 -15.605 -8.657 4.625 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.219 -7.585 4.803 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -15.935 -8.126 6.511 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -16.511 -6.511 6.871 1.00 0.43 H new ATOM 1795 N HIS B 19 -15.883 -5.348 4.215 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.757 -3.910 3.866 1.00 0.31 C ATOM 1797 C HIS B 19 -15.968 -3.759 2.365 1.00 0.27 C ATOM 1798 O HIS B 19 -16.287 -2.692 1.882 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.360 -3.413 4.240 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.428 -2.648 5.532 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -14.852 -1.328 5.588 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -14.127 -3.001 6.825 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -14.795 -0.938 6.876 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -14.360 -1.920 7.667 1.00 1.39 N ATOM 0 H HIS B 19 -15.035 -5.904 4.104 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.499 -3.325 4.410 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.677 -4.257 4.340 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -13.965 -2.776 3.448 1.00 0.35 H new ATOM 0 HD2 HIS B 19 -13.765 -3.969 7.139 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -15.068 0.047 7.225 1.00 1.22 H new ATOM 0 HE2 HIS B 19 -14.226 -1.885 8.678 1.00 1.39 H new ATOM 1813 N VAL B 20 -15.874 -4.836 1.623 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.162 -4.731 0.171 1.00 0.22 C ATOM 1815 C VAL B 20 -17.680 -4.602 0.090 1.00 0.22 C ATOM 1816 O VAL B 20 -18.235 -3.899 -0.731 1.00 0.23 O ATOM 1817 CB VAL B 20 -15.647 -5.986 -0.566 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -16.797 -6.924 -0.952 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -14.903 -5.562 -1.830 1.00 0.34 C ATOM 0 H VAL B 20 -15.615 -5.764 1.958 1.00 0.23 H new ATOM 0 HA VAL B 20 -15.667 -3.884 -0.304 1.00 0.22 H new ATOM 0 HB VAL B 20 -14.979 -6.522 0.108 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -16.397 -7.796 -1.469 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.323 -7.244 -0.053 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.490 -6.399 -1.609 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.539 -6.447 -2.352 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -15.579 -5.009 -2.482 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.059 -4.927 -1.560 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.333 -5.286 0.989 1.00 0.23 N ATOM 1830 CA LEU B 21 -19.817 -5.249 1.067 1.00 0.26 C ATOM 1831 C LEU B 21 -20.257 -3.861 1.538 1.00 0.26 C ATOM 1832 O LEU B 21 -21.120 -3.233 0.949 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.298 -6.284 2.088 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.238 -7.701 1.494 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.578 -8.717 2.585 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.247 -7.840 0.346 1.00 0.38 C ATOM 0 H LEU B 21 -17.888 -5.882 1.687 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.239 -5.468 0.086 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.679 -6.233 2.984 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.319 -6.055 2.392 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.234 -7.883 1.110 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.537 -9.724 2.170 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -19.859 -8.631 3.399 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.581 -8.521 2.965 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -21.194 -8.848 -0.065 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.253 -7.654 0.721 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -21.012 -7.117 -0.435 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.666 -3.370 2.593 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.054 -2.022 3.094 1.00 0.30 C ATOM 1850 C ASP B 22 -19.568 -0.951 2.112 1.00 0.28 C ATOM 1851 O ASP B 22 -20.180 0.085 1.950 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.416 -1.783 4.465 1.00 0.33 C ATOM 1853 CG ASP B 22 -20.032 -0.537 5.105 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -20.977 -0.011 4.540 1.00 1.21 O ATOM 1855 OD2 ASP B 22 -19.548 -0.130 6.148 1.00 1.00 O ATOM 0 H ASP B 22 -18.935 -3.841 3.127 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.139 -1.968 3.183 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.573 -2.650 5.107 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.339 -1.656 4.359 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.465 -1.194 1.462 1.00 0.26 N ATOM 1861 CA VAL B 23 -17.937 -0.189 0.496 1.00 0.27 C ATOM 1862 C VAL B 23 -18.882 -0.101 -0.704 1.00 0.26 C ATOM 1863 O VAL B 23 -19.335 0.968 -1.074 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.543 -0.604 0.021 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.178 0.187 -1.236 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.519 -0.307 1.121 1.00 0.30 C ATOM 0 H VAL B 23 -17.907 -2.042 1.557 1.00 0.26 H new ATOM 0 HA VAL B 23 -17.870 0.783 0.985 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.539 -1.671 -0.203 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.185 -0.108 -1.576 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -16.906 -0.020 -2.020 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.182 1.253 -1.009 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.526 -0.603 0.783 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.524 0.760 1.344 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -15.778 -0.867 2.020 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.192 -1.213 -1.311 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.115 -1.179 -2.476 1.00 0.25 C ATOM 1878 C ILE B 24 -21.470 -0.650 -2.017 1.00 0.26 C ATOM 1879 O ILE B 24 -22.239 -0.127 -2.800 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.260 -2.589 -3.066 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -20.478 -2.484 -4.577 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.452 -3.313 -2.433 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -20.783 -3.870 -5.148 1.00 0.69 C ATOM 0 H ILE B 24 -18.848 -2.138 -1.052 1.00 0.23 H new ATOM 0 HA ILE B 24 -19.715 -0.523 -3.249 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.352 -3.154 -2.857 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -21.302 -1.803 -4.789 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -19.590 -2.070 -5.055 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -21.541 -4.311 -2.862 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -21.299 -3.393 -1.357 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.365 -2.751 -2.629 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -20.938 -3.794 -6.224 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -19.945 -4.538 -4.948 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -21.683 -4.267 -4.679 1.00 0.69 H new ATOM 1895 N VAL B 25 -21.771 -0.766 -0.750 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.075 -0.249 -0.258 1.00 0.30 C ATOM 1897 C VAL B 25 -23.062 1.282 -0.305 1.00 0.30 C ATOM 1898 O VAL B 25 -24.044 1.906 -0.655 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.309 -0.713 1.181 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.363 0.178 1.840 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.801 -2.162 1.174 1.00 0.37 C ATOM 0 H VAL B 25 -21.174 -1.193 -0.042 1.00 0.27 H new ATOM 0 HA VAL B 25 -23.876 -0.630 -0.891 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.376 -0.647 1.740 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.530 -0.153 2.865 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.015 1.211 1.844 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.296 0.112 1.281 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -23.968 -2.494 2.199 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.734 -2.227 0.615 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.051 -2.799 0.704 1.00 0.37 H new ATOM 1911 N LEU B 26 -21.964 1.903 0.046 1.00 0.30 N ATOM 1912 CA LEU B 26 -21.895 3.393 0.018 1.00 0.32 C ATOM 1913 C LEU B 26 -21.935 3.889 -1.435 1.00 0.31 C ATOM 1914 O LEU B 26 -22.574 4.876 -1.755 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.585 3.820 0.682 1.00 0.35 C ATOM 1916 CG LEU B 26 -20.815 4.030 2.182 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.505 3.796 2.935 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -21.296 5.460 2.439 1.00 1.15 C ATOM 0 H LEU B 26 -21.109 1.438 0.352 1.00 0.30 H new ATOM 0 HA LEU B 26 -22.743 3.822 0.551 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -19.820 3.059 0.524 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.218 4.740 0.228 1.00 0.35 H new ATOM 0 HG LEU B 26 -21.571 3.326 2.530 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -19.667 3.945 4.002 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -19.161 2.777 2.759 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -18.751 4.499 2.581 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -21.458 5.603 3.507 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -20.543 6.166 2.088 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -22.230 5.631 1.904 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.280 3.194 -2.320 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.318 3.612 -3.750 1.00 0.31 C ATOM 1932 C PHE B 27 -22.780 3.592 -4.176 1.00 0.32 C ATOM 1933 O PHE B 27 -23.215 4.321 -5.046 1.00 0.34 O ATOM 1934 CB PHE B 27 -20.511 2.633 -4.601 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.028 2.655 -6.020 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -20.864 3.803 -6.805 1.00 1.37 C ATOM 1937 CD2 PHE B 27 -21.670 1.530 -6.552 1.00 1.18 C ATOM 1938 CE1 PHE B 27 -21.343 3.826 -8.121 1.00 1.46 C ATOM 1939 CE2 PHE B 27 -22.148 1.553 -7.868 1.00 1.22 C ATOM 1940 CZ PHE B 27 -21.984 2.702 -8.652 1.00 0.70 C ATOM 0 H PHE B 27 -20.725 2.362 -2.120 1.00 0.29 H new ATOM 0 HA PHE B 27 -20.887 4.604 -3.880 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.455 2.903 -4.583 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -20.589 1.627 -4.190 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -20.368 4.671 -6.396 1.00 1.37 H new ATOM 0 HD2 PHE B 27 -21.797 0.644 -5.947 1.00 1.18 H new ATOM 0 HE1 PHE B 27 -21.217 4.712 -8.726 1.00 1.46 H new ATOM 0 HE2 PHE B 27 -22.643 0.685 -8.278 1.00 1.22 H new ATOM 0 HZ PHE B 27 -22.353 2.720 -9.667 1.00 0.70 H new ATOM 1950 N ASN B 28 -23.534 2.755 -3.529 1.00 0.31 N ATOM 1951 CA ASN B 28 -24.986 2.651 -3.832 1.00 0.34 C ATOM 1952 C ASN B 28 -25.662 3.986 -3.513 1.00 0.35 C ATOM 1953 O ASN B 28 -26.690 4.320 -4.069 1.00 0.36 O ATOM 1954 CB ASN B 28 -25.612 1.549 -2.983 1.00 0.36 C ATOM 1955 CG ASN B 28 -26.586 0.737 -3.837 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -26.512 -0.475 -3.880 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -27.506 1.359 -4.525 1.00 0.97 N ATOM 0 H ASN B 28 -23.203 2.130 -2.794 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.121 2.411 -4.887 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -24.835 0.899 -2.582 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.135 1.984 -2.131 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -28.161 0.827 -5.098 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -27.569 2.376 -4.489 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.094 4.759 -2.622 1.00 0.35 N ATOM 1965 CA GLN B 29 -25.707 6.072 -2.276 1.00 0.38 C ATOM 1966 C GLN B 29 -25.115 7.159 -3.172 1.00 0.39 C ATOM 1967 O GLN B 29 -25.460 8.319 -3.066 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.414 6.404 -0.811 1.00 0.39 C ATOM 1969 CG GLN B 29 -25.900 5.260 0.080 1.00 0.39 C ATOM 1970 CD GLN B 29 -25.645 5.612 1.547 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -24.532 5.921 1.926 1.00 1.12 O ATOM 1972 NE2 GLN B 29 -26.637 5.581 2.395 1.00 1.17 N ATOM 0 H GLN B 29 -24.234 4.536 -2.121 1.00 0.35 H new ATOM 0 HA GLN B 29 -26.785 6.021 -2.427 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.344 6.560 -0.670 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -25.911 7.333 -0.531 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -26.963 5.084 -0.083 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.381 4.337 -0.179 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -27.571 5.322 2.078 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -26.478 5.816 3.375 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.228 6.787 -4.056 1.00 0.35 N ATOM 1982 CA GLY B 30 -23.606 7.788 -4.971 1.00 0.38 C ATOM 1983 C GLY B 30 -22.184 8.111 -4.506 1.00 0.34 C ATOM 1984 O GLY B 30 -21.585 9.069 -4.951 1.00 0.36 O ATOM 0 H GLY B 30 -23.906 5.828 -4.184 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -23.585 7.398 -5.989 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.206 8.698 -4.990 1.00 0.38 H new ATOM 1988 N ILE B 31 -21.627 7.319 -3.627 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.238 7.591 -3.164 1.00 0.29 C ATOM 1990 C ILE B 31 -19.269 7.112 -4.241 1.00 0.26 C ATOM 1991 O ILE B 31 -19.090 5.929 -4.448 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.004 6.858 -1.838 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.017 7.354 -0.786 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -18.581 7.108 -1.336 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -20.974 8.881 -0.651 1.00 0.59 C ATOM 0 H ILE B 31 -22.073 6.500 -3.213 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.079 8.657 -2.998 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.138 5.788 -1.999 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -22.022 7.039 -1.068 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -20.798 6.895 0.178 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.430 6.581 -0.394 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -17.866 6.744 -2.074 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.432 8.177 -1.182 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -21.699 9.201 0.098 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -19.975 9.191 -0.345 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -21.218 9.338 -1.610 1.00 0.59 H new ATOM 2007 N ASP B 32 -18.640 8.028 -4.932 1.00 0.27 N ATOM 2008 CA ASP B 32 -17.682 7.633 -5.998 1.00 0.27 C ATOM 2009 C ASP B 32 -16.256 7.588 -5.451 1.00 0.27 C ATOM 2010 O ASP B 32 -15.467 6.745 -5.829 1.00 0.29 O ATOM 2011 CB ASP B 32 -17.755 8.638 -7.149 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.188 8.707 -7.679 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -20.100 8.687 -6.868 1.00 1.46 O ATOM 2014 OD2 ASP B 32 -19.351 8.781 -8.885 1.00 1.25 O ATOM 0 H ASP B 32 -18.751 9.033 -4.801 1.00 0.27 H new ATOM 0 HA ASP B 32 -17.950 6.639 -6.357 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.435 9.622 -6.807 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.075 8.342 -7.948 1.00 0.29 H new ATOM 2019 N GLU B 33 -15.917 8.508 -4.586 1.00 0.27 N ATOM 2020 CA GLU B 33 -14.541 8.546 -4.026 1.00 0.28 C ATOM 2021 C GLU B 33 -14.526 7.925 -2.635 1.00 0.26 C ATOM 2022 O GLU B 33 -15.417 8.142 -1.838 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.058 9.991 -3.934 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.304 10.347 -5.214 1.00 0.60 C ATOM 2025 CD GLU B 33 -13.312 11.863 -5.413 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -12.983 12.565 -4.472 1.00 1.08 O ATOM 2027 OE2 GLU B 33 -13.645 12.294 -6.504 1.00 1.20 O ATOM 0 H GLU B 33 -16.541 9.238 -4.243 1.00 0.27 H new ATOM 0 HA GLU B 33 -13.880 7.980 -4.683 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -14.905 10.663 -3.797 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.409 10.116 -3.068 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.278 9.984 -5.156 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -13.768 9.856 -6.069 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.521 7.157 -2.336 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.464 6.533 -0.987 1.00 0.24 C ATOM 2036 C VAL B 34 -12.017 6.279 -0.554 1.00 0.24 C ATOM 2037 O VAL B 34 -11.161 5.939 -1.351 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.255 5.223 -0.994 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.366 4.082 -1.487 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.734 4.911 0.424 1.00 0.35 C ATOM 0 H VAL B 34 -12.744 6.935 -2.958 1.00 0.25 H new ATOM 0 HA VAL B 34 -13.909 7.221 -0.269 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.112 5.326 -1.659 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -13.935 3.152 -1.490 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.022 4.300 -2.498 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.506 3.979 -0.825 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -15.298 3.978 0.421 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.873 4.812 1.085 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -15.373 5.720 0.778 1.00 0.35 H new ATOM 2050 N ILE B 35 -11.758 6.467 0.721 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.380 6.261 1.270 1.00 0.21 C ATOM 2052 C ILE B 35 -10.352 5.043 2.201 1.00 0.21 C ATOM 2053 O ILE B 35 -11.099 4.971 3.158 1.00 0.23 O ATOM 2054 CB ILE B 35 -9.957 7.509 2.043 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.551 8.747 1.360 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.429 7.603 2.053 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -9.679 9.971 1.644 1.00 0.31 C ATOM 0 H ILE B 35 -12.451 6.757 1.410 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.690 6.084 0.445 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.320 7.453 3.069 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -10.620 8.581 0.285 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.565 8.921 1.722 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.123 8.492 2.604 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -8.013 6.717 2.534 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.062 7.666 1.029 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.109 10.845 1.155 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.632 10.143 2.719 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -8.673 9.798 1.260 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.481 4.091 1.940 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.388 2.886 2.821 1.00 0.26 C ATOM 2071 C LEU B 36 -8.165 3.001 3.730 1.00 0.24 C ATOM 2072 O LEU B 36 -7.038 2.980 3.273 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.255 1.620 1.973 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.569 0.831 2.030 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.704 1.678 1.452 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.432 -0.451 1.211 1.00 0.48 C ATOM 0 H LEU B 36 -8.832 4.100 1.153 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.294 2.827 3.424 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.020 1.882 0.942 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.433 1.006 2.341 1.00 0.30 H new ATOM 0 HG LEU B 36 -10.792 0.581 3.067 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.636 1.115 1.494 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -11.807 2.594 2.034 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.479 1.930 0.416 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.366 -1.011 1.252 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.206 -0.199 0.175 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -9.626 -1.060 1.620 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.377 3.114 5.009 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.231 3.221 5.958 1.00 0.23 C ATOM 2090 C LYS B 37 -6.946 1.848 6.585 1.00 0.21 C ATOM 2091 O LYS B 37 -7.815 1.249 7.184 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.601 4.222 7.047 1.00 0.29 C ATOM 2093 CG LYS B 37 -6.983 5.581 6.728 1.00 1.26 C ATOM 2094 CD LYS B 37 -7.698 6.669 7.531 1.00 1.50 C ATOM 2095 CE LYS B 37 -7.126 8.036 7.159 1.00 2.39 C ATOM 2096 NZ LYS B 37 -6.746 8.769 8.398 1.00 2.74 N ATOM 0 H LYS B 37 -9.300 3.137 5.443 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.337 3.556 5.431 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -8.685 4.312 7.118 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -7.246 3.869 8.015 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -5.920 5.575 6.970 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -7.066 5.788 5.661 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -8.768 6.643 7.326 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -7.573 6.489 8.599 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -6.256 7.915 6.514 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -7.862 8.609 6.596 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -6.357 9.700 8.145 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -7.586 8.897 8.997 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -6.029 8.224 8.918 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.738 1.344 6.447 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.415 -0.001 7.040 1.00 0.22 C ATOM 2112 C GLY B 38 -4.035 0.002 7.715 1.00 0.22 C ATOM 2113 O GLY B 38 -3.172 0.785 7.374 1.00 0.24 O ATOM 0 H GLY B 38 -4.969 1.799 5.955 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.178 -0.272 7.770 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.438 -0.760 6.258 1.00 0.22 H new ATOM 2117 N THR B 39 -3.840 -0.858 8.700 1.00 0.22 N ATOM 2118 CA THR B 39 -2.526 -0.883 9.422 1.00 0.25 C ATOM 2119 C THR B 39 -2.046 -2.304 9.741 1.00 0.23 C ATOM 2120 O THR B 39 -2.814 -3.199 10.001 1.00 0.20 O ATOM 2121 CB THR B 39 -2.657 -0.115 10.738 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.948 -0.339 11.289 1.00 0.29 O ATOM 2123 CG2 THR B 39 -2.461 1.377 10.484 1.00 0.49 C ATOM 0 H THR B 39 -4.529 -1.534 9.028 1.00 0.22 H new ATOM 0 HA THR B 39 -1.793 -0.423 8.759 1.00 0.25 H new ATOM 0 HB THR B 39 -1.897 -0.463 11.438 1.00 0.28 H new ATOM 0 HG1 THR B 39 -4.033 0.151 12.133 1.00 0.29 H new ATOM 0 HG21 THR B 39 -2.555 1.921 11.424 1.00 0.49 H new ATOM 0 HG22 THR B 39 -1.470 1.547 10.063 1.00 0.49 H new ATOM 0 HG23 THR B 39 -3.218 1.729 9.783 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.746 -2.477 9.731 1.00 0.25 N ATOM 2132 CA GLY B 40 -0.129 -3.804 10.042 1.00 0.26 C ATOM 2133 C GLY B 40 -0.982 -4.940 9.478 1.00 0.25 C ATOM 2134 O GLY B 40 -0.760 -5.409 8.384 1.00 0.28 O ATOM 0 H GLY B 40 -0.075 -1.740 9.516 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.875 -3.852 9.620 1.00 0.26 H new ATOM 0 HA3 GLY B 40 -0.027 -3.920 11.121 1.00 0.26 H new ATOM 2138 N ARG B 41 -1.943 -5.398 10.230 1.00 0.23 N ATOM 2139 CA ARG B 41 -2.800 -6.513 9.742 1.00 0.24 C ATOM 2140 C ARG B 41 -3.900 -5.954 8.840 1.00 0.22 C ATOM 2141 O ARG B 41 -4.090 -6.410 7.730 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.428 -7.252 10.929 1.00 0.24 C ATOM 2143 CG ARG B 41 -2.680 -6.900 12.219 1.00 0.61 C ATOM 2144 CD ARG B 41 -2.997 -7.942 13.294 1.00 0.94 C ATOM 2145 NE ARG B 41 -1.873 -8.917 13.385 1.00 1.74 N ATOM 2146 CZ ARG B 41 -0.789 -8.604 14.041 1.00 2.19 C ATOM 2147 NH1 ARG B 41 -0.690 -7.439 14.618 1.00 2.10 N ATOM 2148 NH2 ARG B 41 0.194 -9.458 14.119 1.00 3.16 N ATOM 0 H ARG B 41 -2.172 -5.049 11.161 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.187 -7.214 9.175 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.479 -6.980 11.023 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -3.391 -8.328 10.759 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -1.606 -6.869 12.033 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -2.972 -5.908 12.562 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -3.148 -7.453 14.257 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -3.924 -8.461 13.051 1.00 0.94 H new ATOM 0 HE ARG B 41 -1.951 -9.829 12.935 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -1.460 -6.772 14.557 1.00 2.10 H new ATOM 0 HH12 ARG B 41 0.157 -7.194 15.131 1.00 2.10 H new ATOM 0 HH21 ARG B 41 0.115 -10.369 13.668 1.00 3.16 H new ATOM 0 HH22 ARG B 41 1.042 -9.214 14.631 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.641 -4.985 9.302 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.734 -4.432 8.461 1.00 0.17 C ATOM 2164 C GLU B 42 -5.141 -3.869 7.173 1.00 0.18 C ATOM 2165 O GLU B 42 -5.828 -3.702 6.181 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.478 -3.312 9.206 1.00 0.16 C ATOM 2167 CG GLU B 42 -5.916 -3.125 10.623 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.803 -2.158 11.407 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -6.748 -0.974 11.124 1.00 1.29 O ATOM 2170 OE2 GLU B 42 -7.519 -2.617 12.280 1.00 1.38 O ATOM 0 H GLU B 42 -4.536 -4.555 10.221 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.439 -5.231 8.234 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.389 -2.379 8.650 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.540 -3.550 9.261 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -5.868 -4.086 11.135 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -4.898 -2.740 10.573 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.867 -3.593 7.168 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.220 -3.064 5.944 1.00 0.23 C ATOM 2179 C ILE B 43 -3.493 -4.010 4.767 1.00 0.26 C ATOM 2180 O ILE B 43 -3.520 -3.603 3.623 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.709 -2.990 6.199 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -1.086 -1.927 5.307 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -1.073 -4.343 5.888 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.422 -1.865 5.563 1.00 0.85 C ATOM 0 H ILE B 43 -3.245 -3.713 7.967 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.615 -2.077 5.704 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.535 -2.733 7.244 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.279 -2.158 4.259 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.540 -0.957 5.508 1.00 0.34 H new ATOM 0 HG21 ILE B 43 0.001 -4.291 6.069 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.512 -5.107 6.529 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.253 -4.598 4.844 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.869 -1.103 4.924 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.604 -1.614 6.608 1.00 0.85 H new ATOM 0 HD13 ILE B 43 0.869 -2.834 5.340 1.00 0.85 H new ATOM 2196 N SER B 44 -3.675 -5.275 5.040 1.00 0.27 N ATOM 2197 CA SER B 44 -3.922 -6.253 3.942 1.00 0.31 C ATOM 2198 C SER B 44 -5.405 -6.256 3.609 1.00 0.30 C ATOM 2199 O SER B 44 -5.801 -6.514 2.490 1.00 0.32 O ATOM 2200 CB SER B 44 -3.489 -7.650 4.387 1.00 0.36 C ATOM 2201 OG SER B 44 -3.506 -7.717 5.807 1.00 1.12 O ATOM 0 H SER B 44 -3.663 -5.673 5.979 1.00 0.27 H new ATOM 0 HA SER B 44 -3.347 -5.970 3.060 1.00 0.31 H new ATOM 0 HB2 SER B 44 -4.158 -8.401 3.968 1.00 0.36 H new ATOM 0 HB3 SER B 44 -2.489 -7.870 4.013 1.00 0.36 H new ATOM 0 HG SER B 44 -4.317 -7.282 6.145 1.00 1.12 H new ATOM 2207 N LYS B 45 -6.231 -5.919 4.556 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.672 -5.855 4.240 1.00 0.26 C ATOM 2209 C LYS B 45 -7.822 -4.744 3.208 1.00 0.25 C ATOM 2210 O LYS B 45 -8.129 -4.987 2.058 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.480 -5.534 5.500 1.00 0.26 C ATOM 2212 CG LYS B 45 -8.341 -6.676 6.509 1.00 0.40 C ATOM 2213 CD LYS B 45 -9.495 -7.663 6.330 1.00 0.91 C ATOM 2214 CE LYS B 45 -9.337 -8.823 7.314 1.00 0.81 C ATOM 2215 NZ LYS B 45 -9.433 -10.115 6.579 1.00 1.87 N ATOM 0 H LYS B 45 -5.973 -5.690 5.516 1.00 0.26 H new ATOM 0 HA LYS B 45 -8.043 -6.806 3.858 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -8.128 -4.602 5.941 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.529 -5.389 5.243 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -7.388 -7.186 6.367 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -8.343 -6.280 7.524 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -10.447 -7.159 6.497 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -9.509 -8.040 5.307 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -8.376 -8.753 7.824 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -10.109 -8.771 8.081 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -9.462 -10.900 7.260 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -10.299 -10.124 6.004 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -8.605 -10.224 5.959 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.620 -3.525 3.640 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.749 -2.342 2.728 1.00 0.21 C ATOM 2231 C ALA B 46 -7.334 -2.701 1.290 1.00 0.19 C ATOM 2232 O ALA B 46 -8.048 -2.426 0.347 1.00 0.22 O ATOM 2233 CB ALA B 46 -6.858 -1.210 3.244 1.00 0.26 C ATOM 0 H ALA B 46 -7.367 -3.294 4.601 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.793 -2.028 2.716 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -6.948 -0.347 2.584 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.170 -0.932 4.251 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.821 -1.544 3.265 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.193 -3.313 1.108 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.758 -3.675 -0.278 1.00 0.18 C ATOM 2241 C VAL B 47 -6.689 -4.744 -0.853 1.00 0.18 C ATOM 2242 O VAL B 47 -7.363 -4.526 -1.841 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.322 -4.211 -0.264 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -3.970 -4.765 -1.648 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.363 -3.074 0.091 1.00 0.27 C ATOM 0 H VAL B 47 -5.546 -3.577 1.851 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.800 -2.780 -0.898 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.235 -5.007 0.476 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -2.949 -5.146 -1.638 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.656 -5.573 -1.902 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -4.054 -3.971 -2.390 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.340 -3.451 0.102 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.449 -2.280 -0.651 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.615 -2.679 1.075 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.730 -5.899 -0.249 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.619 -6.976 -0.770 1.00 0.23 C ATOM 2257 C ASP B 48 -9.002 -6.388 -1.019 1.00 0.26 C ATOM 2258 O ASP B 48 -9.556 -6.507 -2.093 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.719 -8.104 0.261 1.00 0.24 C ATOM 2260 CG ASP B 48 -8.133 -9.401 -0.437 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -9.072 -9.358 -1.214 1.00 1.25 O ATOM 2262 OD2 ASP B 48 -7.504 -10.414 -0.182 1.00 1.08 O ATOM 0 H ASP B 48 -6.189 -6.144 0.580 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.212 -7.378 -1.698 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.760 -8.239 0.762 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.447 -7.844 1.030 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.550 -5.745 -0.026 1.00 0.26 N ATOM 2268 CA VAL B 49 -10.892 -5.123 -0.183 1.00 0.32 C ATOM 2269 C VAL B 49 -10.942 -4.397 -1.527 1.00 0.31 C ATOM 2270 O VAL B 49 -11.815 -4.627 -2.340 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.123 -4.113 0.944 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -12.392 -3.303 0.662 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -11.280 -4.856 2.272 1.00 0.96 C ATOM 0 H VAL B 49 -9.123 -5.624 0.892 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.663 -5.892 -0.143 1.00 0.32 H new ATOM 0 HB VAL B 49 -10.269 -3.438 1.001 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -12.552 -2.586 1.467 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -12.281 -2.770 -0.282 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -13.247 -3.976 0.601 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -11.444 -4.137 3.074 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -12.132 -5.533 2.212 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -10.376 -5.428 2.478 1.00 0.96 H new ATOM 2283 N TYR B 50 -10.019 -3.506 -1.752 1.00 0.33 N ATOM 2284 CA TYR B 50 -10.008 -2.739 -3.028 1.00 0.36 C ATOM 2285 C TYR B 50 -9.776 -3.675 -4.213 1.00 0.32 C ATOM 2286 O TYR B 50 -10.531 -3.672 -5.165 1.00 0.32 O ATOM 2287 CB TYR B 50 -8.904 -1.689 -2.959 1.00 0.43 C ATOM 2288 CG TYR B 50 -8.179 -1.591 -4.282 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -8.865 -1.179 -5.430 1.00 2.17 C ATOM 2290 CD2 TYR B 50 -6.812 -1.887 -4.354 1.00 1.93 C ATOM 2291 CE1 TYR B 50 -8.183 -1.063 -6.649 1.00 3.03 C ATOM 2292 CE2 TYR B 50 -6.136 -1.776 -5.572 1.00 2.76 C ATOM 2293 CZ TYR B 50 -6.820 -1.364 -6.719 1.00 3.13 C ATOM 2294 OH TYR B 50 -6.150 -1.249 -7.921 1.00 4.11 O ATOM 0 H TYR B 50 -9.267 -3.274 -1.103 1.00 0.33 H new ATOM 0 HA TYR B 50 -10.972 -2.251 -3.169 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -9.332 -0.720 -2.700 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -8.198 -1.947 -2.170 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -9.919 -0.951 -5.377 1.00 2.17 H new ATOM 0 HD2 TYR B 50 -6.280 -2.201 -3.468 1.00 1.93 H new ATOM 0 HE1 TYR B 50 -8.711 -0.741 -7.534 1.00 3.03 H new ATOM 0 HE2 TYR B 50 -5.083 -2.009 -5.627 1.00 2.76 H new ATOM 0 HH TYR B 50 -5.210 -1.494 -7.796 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.756 -4.487 -4.172 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.526 -5.413 -5.307 1.00 0.30 C ATOM 2306 C ASN B 51 -9.819 -6.182 -5.533 1.00 0.29 C ATOM 2307 O ASN B 51 -10.334 -6.257 -6.631 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.396 -6.384 -4.966 1.00 0.31 C ATOM 2309 CG ASN B 51 -7.234 -7.385 -6.111 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -8.151 -8.294 -6.300 1.00 1.41 O flip ATOM 2311 ND2 ASN B 51 -6.266 -7.337 -6.843 1.00 1.19 N flip ATOM 0 H ASN B 51 -8.081 -4.547 -3.410 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.242 -4.862 -6.204 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.466 -5.838 -4.809 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.618 -6.908 -4.037 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -5.549 -6.626 -6.695 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -6.170 -8.007 -7.606 1.00 1.19 H new ATOM 2318 N SER B 52 -10.347 -6.752 -4.489 1.00 0.29 N ATOM 2319 CA SER B 52 -11.611 -7.514 -4.630 1.00 0.31 C ATOM 2320 C SER B 52 -12.688 -6.574 -5.165 1.00 0.29 C ATOM 2321 O SER B 52 -13.521 -6.960 -5.962 1.00 0.33 O ATOM 2322 CB SER B 52 -12.051 -8.052 -3.273 1.00 0.34 C ATOM 2323 OG SER B 52 -11.840 -7.059 -2.278 1.00 0.65 O ATOM 0 H SER B 52 -9.957 -6.722 -3.547 1.00 0.29 H new ATOM 0 HA SER B 52 -11.459 -8.350 -5.313 1.00 0.31 H new ATOM 0 HB2 SER B 52 -13.104 -8.332 -3.305 1.00 0.34 H new ATOM 0 HB3 SER B 52 -11.489 -8.953 -3.028 1.00 0.34 H new ATOM 0 HG SER B 52 -12.166 -6.194 -2.605 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.675 -5.337 -4.745 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.689 -4.373 -5.239 1.00 0.27 C ATOM 2331 C LEU B 53 -13.308 -3.927 -6.652 1.00 0.27 C ATOM 2332 O LEU B 53 -14.145 -3.571 -7.447 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.719 -3.142 -4.331 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.940 -2.276 -4.678 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -16.151 -2.687 -3.838 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.611 -0.811 -4.406 1.00 0.38 C ATOM 0 H LEU B 53 -12.002 -4.956 -4.079 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.668 -4.852 -5.242 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.763 -3.449 -3.286 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.803 -2.564 -4.455 1.00 0.27 H new ATOM 0 HG LEU B 53 -15.182 -2.417 -5.731 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -17.004 -2.061 -4.099 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.393 -3.731 -4.035 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -15.920 -2.561 -2.780 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.475 -0.193 -4.651 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.360 -0.684 -3.353 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.763 -0.509 -5.020 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.064 -4.005 -7.015 1.00 0.28 N ATOM 2349 CA LYS B 54 -11.690 -3.613 -8.396 1.00 0.32 C ATOM 2350 C LYS B 54 -11.985 -4.788 -9.290 1.00 0.34 C ATOM 2351 O LYS B 54 -12.578 -4.682 -10.347 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.193 -3.325 -8.433 1.00 0.34 C ATOM 2353 CG LYS B 54 -9.822 -2.618 -9.738 1.00 0.96 C ATOM 2354 CD LYS B 54 -9.343 -3.629 -10.785 1.00 0.49 C ATOM 2355 CE LYS B 54 -8.830 -2.879 -12.015 1.00 0.49 C ATOM 2356 NZ LYS B 54 -7.375 -3.151 -12.191 1.00 0.99 N ATOM 0 H LYS B 54 -11.296 -4.320 -6.422 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.241 -2.730 -8.719 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -9.914 -2.703 -7.582 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -9.634 -4.256 -8.344 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -10.685 -2.073 -10.120 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -9.039 -1.884 -9.550 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -8.552 -4.253 -10.369 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -10.160 -4.294 -11.065 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.380 -3.194 -12.902 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -8.999 -1.809 -11.898 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -7.025 -2.641 -13.027 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -6.857 -2.830 -11.348 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -7.226 -4.172 -12.320 1.00 0.99 H new ATOM 2370 N ASP B 55 -11.598 -5.920 -8.817 1.00 0.41 N ATOM 2371 CA ASP B 55 -11.843 -7.183 -9.538 1.00 0.47 C ATOM 2372 C ASP B 55 -13.324 -7.234 -9.904 1.00 0.47 C ATOM 2373 O ASP B 55 -13.761 -8.055 -10.687 1.00 0.52 O ATOM 2374 CB ASP B 55 -11.481 -8.342 -8.603 1.00 0.51 C ATOM 2375 CG ASP B 55 -12.230 -9.605 -9.025 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -12.300 -9.857 -10.216 1.00 1.46 O ATOM 2377 OD2 ASP B 55 -12.716 -10.300 -8.150 1.00 1.23 O ATOM 0 H ASP B 55 -11.105 -6.029 -7.931 1.00 0.41 H new ATOM 0 HA ASP B 55 -11.243 -7.253 -10.445 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -10.406 -8.520 -8.630 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -11.736 -8.084 -7.575 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.098 -6.339 -9.348 1.00 0.42 N ATOM 2383 CA ARG B 56 -15.540 -6.294 -9.651 1.00 0.44 C ATOM 2384 C ARG B 56 -15.760 -6.136 -11.138 1.00 0.43 C ATOM 2385 O ARG B 56 -16.431 -6.921 -11.779 1.00 0.51 O ATOM 2386 CB ARG B 56 -16.075 -5.059 -8.975 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.109 -5.302 -7.471 1.00 0.50 C ATOM 2388 CD ARG B 56 -17.166 -6.342 -7.085 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.291 -6.347 -8.063 1.00 1.01 N ATOM 2390 CZ ARG B 56 -19.020 -7.422 -8.221 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -18.768 -8.496 -7.521 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.006 -7.420 -9.076 1.00 1.71 N ATOM 0 H ARG B 56 -13.777 -5.631 -8.688 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.028 -7.208 -9.314 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -15.445 -4.199 -9.205 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -17.075 -4.829 -9.344 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.128 -5.639 -7.135 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.317 -4.364 -6.956 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.710 -7.331 -7.044 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -17.547 -6.125 -6.087 1.00 0.64 H new ATOM 0 HE ARG B 56 -18.493 -5.510 -8.610 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -18.001 -8.498 -6.849 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -19.338 -9.332 -7.647 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -20.208 -6.581 -9.620 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.575 -8.257 -9.200 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.211 -5.102 -11.679 1.00 0.41 N ATOM 2407 CA LEU B 57 -15.383 -4.836 -13.122 1.00 0.48 C ATOM 2408 C LEU B 57 -14.228 -3.973 -13.583 1.00 0.43 C ATOM 2409 O LEU B 57 -14.101 -3.662 -14.750 1.00 0.44 O ATOM 2410 CB LEU B 57 -16.697 -4.089 -13.348 1.00 0.58 C ATOM 2411 CG LEU B 57 -17.627 -4.942 -14.209 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -18.997 -4.270 -14.300 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -17.036 -5.082 -15.612 1.00 1.77 C ATOM 0 H LEU B 57 -14.642 -4.419 -11.179 1.00 0.41 H new ATOM 0 HA LEU B 57 -15.404 -5.772 -13.680 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.171 -3.868 -12.392 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -16.505 -3.134 -13.837 1.00 0.58 H new ATOM 0 HG LEU B 57 -17.735 -5.929 -13.759 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -19.661 -4.879 -14.914 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -19.420 -4.168 -13.300 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -18.889 -3.283 -14.750 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -17.699 -5.691 -16.227 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -16.928 -4.095 -16.062 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -16.059 -5.561 -15.549 1.00 1.77 H new ATOM 2425 N GLY B 58 -13.362 -3.605 -12.678 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.187 -2.774 -13.065 1.00 0.36 C ATOM 2427 C GLY B 58 -12.644 -1.400 -13.558 1.00 0.35 C ATOM 2428 O GLY B 58 -12.173 -0.377 -13.105 1.00 0.35 O ATOM 0 H GLY B 58 -13.418 -3.844 -11.688 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -11.519 -2.657 -12.211 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -11.619 -3.278 -13.847 1.00 0.36 H new ATOM 2432 N ASP B 59 -13.537 -1.376 -14.500 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.007 -0.077 -15.056 1.00 0.44 C ATOM 2434 C ASP B 59 -14.899 0.638 -14.049 1.00 0.38 C ATOM 2435 O ASP B 59 -14.760 1.817 -13.818 1.00 0.40 O ATOM 2436 CB ASP B 59 -14.795 -0.329 -16.341 1.00 0.53 C ATOM 2437 CG ASP B 59 -14.286 0.603 -17.442 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -14.814 1.696 -17.556 1.00 1.40 O ATOM 2439 OD2 ASP B 59 -13.376 0.207 -18.152 1.00 1.11 O ATOM 0 H ASP B 59 -13.966 -2.204 -14.914 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.141 0.549 -15.269 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -14.685 -1.368 -16.650 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -15.858 -0.159 -16.168 1.00 0.53 H new ATOM 2444 N GLY B 60 -15.812 -0.060 -13.448 1.00 0.34 N ATOM 2445 CA GLY B 60 -16.711 0.590 -12.466 1.00 0.31 C ATOM 2446 C GLY B 60 -15.931 0.908 -11.201 1.00 0.29 C ATOM 2447 O GLY B 60 -16.499 1.074 -10.146 1.00 0.28 O ATOM 0 H GLY B 60 -15.975 -1.056 -13.595 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.129 1.504 -12.888 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -17.550 -0.066 -12.234 1.00 0.31 H new ATOM 2451 N VAL B 61 -14.630 0.987 -11.285 1.00 0.29 N ATOM 2452 CA VAL B 61 -13.819 1.283 -10.077 1.00 0.28 C ATOM 2453 C VAL B 61 -12.485 1.881 -10.540 1.00 0.30 C ATOM 2454 O VAL B 61 -11.849 1.364 -11.437 1.00 0.46 O ATOM 2455 CB VAL B 61 -13.547 -0.020 -9.310 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.242 0.109 -8.520 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -14.695 -0.325 -8.337 1.00 0.39 C ATOM 0 H VAL B 61 -14.095 0.858 -12.144 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.348 1.978 -9.425 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.467 -0.833 -10.031 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.052 -0.817 -7.977 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -11.418 0.302 -9.207 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -12.325 0.934 -7.812 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -14.483 -1.252 -7.804 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -14.792 0.492 -7.622 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -15.626 -0.432 -8.894 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.083 2.985 -9.967 1.00 0.28 N ATOM 2468 CA GLN B 62 -10.815 3.642 -10.408 1.00 0.30 C ATOM 2469 C GLN B 62 -9.938 4.031 -9.220 1.00 0.29 C ATOM 2470 O GLN B 62 -10.408 4.355 -8.156 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.171 4.917 -11.160 1.00 0.31 C ATOM 2472 CG GLN B 62 -10.867 4.742 -12.642 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.355 4.646 -12.856 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -8.679 5.652 -12.953 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -8.790 3.472 -12.935 1.00 1.42 N ATOM 0 H GLN B 62 -12.577 3.461 -9.212 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.267 2.937 -11.033 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.227 5.150 -11.021 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -10.604 5.757 -10.759 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.354 3.842 -13.018 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.270 5.583 -13.207 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.356 2.627 -12.854 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -7.783 3.399 -13.078 1.00 1.42 H new ATOM 2484 N LEU B 63 -8.652 4.034 -9.432 1.00 0.33 N ATOM 2485 CA LEU B 63 -7.700 4.436 -8.362 1.00 0.33 C ATOM 2486 C LEU B 63 -7.395 5.924 -8.541 1.00 0.34 C ATOM 2487 O LEU B 63 -6.827 6.321 -9.539 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.415 3.607 -8.496 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.405 4.003 -7.407 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -4.365 2.892 -7.255 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.686 5.315 -7.768 1.00 0.52 C ATOM 0 H LEU B 63 -8.215 3.771 -10.315 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.124 4.262 -7.373 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.649 2.546 -8.415 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -5.976 3.762 -9.482 1.00 0.36 H new ATOM 0 HG LEU B 63 -5.948 4.149 -6.473 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -3.647 3.169 -6.483 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -4.862 1.964 -6.972 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -3.844 2.750 -8.202 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.978 5.571 -6.980 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -4.151 5.190 -8.710 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -5.419 6.115 -7.871 1.00 0.52 H new ATOM 2503 N VAL B 64 -7.783 6.751 -7.601 1.00 0.33 N ATOM 2504 CA VAL B 64 -7.529 8.219 -7.743 1.00 0.37 C ATOM 2505 C VAL B 64 -6.417 8.673 -6.787 1.00 0.36 C ATOM 2506 O VAL B 64 -5.898 9.764 -6.920 1.00 0.41 O ATOM 2507 CB VAL B 64 -8.822 8.994 -7.468 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -9.581 8.341 -6.319 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -8.503 10.451 -7.115 1.00 1.43 C ATOM 0 H VAL B 64 -8.263 6.474 -6.744 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.201 8.423 -8.762 1.00 0.37 H new ATOM 0 HB VAL B 64 -9.440 8.976 -8.366 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.499 8.896 -6.128 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -9.827 7.313 -6.583 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -8.960 8.347 -5.423 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -9.431 10.990 -6.922 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -7.874 10.480 -6.225 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -7.977 10.920 -7.947 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.009 7.855 -5.845 1.00 0.32 N ATOM 2520 CA ASN B 65 -4.899 8.278 -4.937 1.00 0.34 C ATOM 2521 C ASN B 65 -4.530 7.123 -4.002 1.00 0.30 C ATOM 2522 O ASN B 65 -5.372 6.346 -3.605 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.337 9.480 -4.112 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.367 10.641 -4.342 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -3.254 10.623 -3.856 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -4.746 11.656 -5.069 1.00 1.09 N ATOM 0 H ASN B 65 -6.391 6.926 -5.668 1.00 0.32 H new ATOM 0 HA ASN B 65 -4.031 8.550 -5.537 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.348 9.777 -4.391 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -5.362 9.218 -3.054 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -4.107 12.435 -5.230 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -5.681 11.670 -5.477 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.273 7.010 -3.649 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.831 5.905 -2.745 1.00 0.26 C ATOM 2535 C VAL B 66 -1.534 6.317 -2.052 1.00 0.27 C ATOM 2536 O VAL B 66 -0.624 6.833 -2.671 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.559 4.631 -3.560 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -2.053 3.528 -2.626 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -3.839 4.152 -4.250 1.00 0.66 C ATOM 0 H VAL B 66 -2.530 7.640 -3.951 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.615 5.712 -2.013 1.00 0.26 H new ATOM 0 HB VAL B 66 -1.809 4.855 -4.318 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.860 2.623 -3.203 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -1.132 3.854 -2.143 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.807 3.320 -1.867 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.628 3.249 -4.823 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.598 3.936 -3.499 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.204 4.930 -4.921 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.450 6.102 -0.768 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.218 6.492 -0.040 1.00 0.28 C ATOM 2551 C GLN B 67 0.073 5.521 1.097 1.00 0.25 C ATOM 2552 O GLN B 67 -0.773 4.768 1.536 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.389 7.895 0.538 1.00 0.29 C ATOM 2554 CG GLN B 67 0.978 8.574 0.634 1.00 0.37 C ATOM 2555 CD GLN B 67 0.817 9.966 1.249 1.00 0.64 C ATOM 2556 OE1 GLN B 67 -0.195 10.263 1.852 1.00 1.11 O ATOM 2557 NE2 GLN B 67 1.779 10.839 1.121 1.00 1.44 N ATOM 0 H GLN B 67 -2.179 5.675 -0.197 1.00 0.25 H new ATOM 0 HA GLN B 67 0.615 6.472 -0.743 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -1.055 8.482 -0.094 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -0.851 7.840 1.524 1.00 0.29 H new ATOM 0 HG2 GLN B 67 1.652 7.972 1.243 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.427 8.652 -0.356 1.00 0.37 H new ATOM 0 HE21 GLN B 67 2.629 10.591 0.615 1.00 1.44 H new ATOM 0 HE22 GLN B 67 1.681 11.769 1.527 1.00 1.44 H new ATOM 2566 N THR B 68 1.284 5.562 1.566 1.00 0.26 N ATOM 2567 CA THR B 68 1.704 4.677 2.683 1.00 0.26 C ATOM 2568 C THR B 68 2.310 5.544 3.778 1.00 0.25 C ATOM 2569 O THR B 68 2.659 6.686 3.555 1.00 0.33 O ATOM 2570 CB THR B 68 2.742 3.658 2.187 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.547 4.258 1.183 1.00 0.42 O ATOM 2572 CG2 THR B 68 2.050 2.422 1.602 1.00 0.45 C ATOM 0 H THR B 68 2.014 6.183 1.216 1.00 0.26 H new ATOM 0 HA THR B 68 0.844 4.131 3.070 1.00 0.26 H new ATOM 0 HB THR B 68 3.359 3.350 3.031 1.00 0.33 H new ATOM 0 HG1 THR B 68 4.428 4.474 1.555 1.00 0.42 H new ATOM 0 HG21 THR B 68 2.802 1.713 1.257 1.00 0.45 H new ATOM 0 HG22 THR B 68 1.434 1.953 2.369 1.00 0.45 H new ATOM 0 HG23 THR B 68 1.421 2.720 0.764 1.00 0.45 H new ATOM 2580 N GLY B 69 2.464 5.013 4.954 1.00 0.24 N ATOM 2581 CA GLY B 69 3.073 5.803 6.058 1.00 0.28 C ATOM 2582 C GLY B 69 3.164 4.926 7.307 1.00 0.26 C ATOM 2583 O GLY B 69 2.226 4.241 7.659 1.00 0.29 O ATOM 0 H GLY B 69 2.193 4.061 5.201 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.065 6.151 5.769 1.00 0.28 H new ATOM 0 HA3 GLY B 69 2.472 6.689 6.263 1.00 0.28 H new ATOM 2587 N SER B 70 4.263 4.974 8.004 1.00 0.24 N ATOM 2588 CA SER B 70 4.388 4.182 9.256 1.00 0.25 C ATOM 2589 C SER B 70 4.002 5.079 10.429 1.00 0.29 C ATOM 2590 O SER B 70 4.062 6.289 10.333 1.00 0.31 O ATOM 2591 CB SER B 70 5.827 3.703 9.431 1.00 0.27 C ATOM 2592 OG SER B 70 6.637 4.793 9.850 1.00 0.39 O ATOM 0 H SER B 70 5.083 5.530 7.759 1.00 0.24 H new ATOM 0 HA SER B 70 3.734 3.311 9.212 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.868 2.900 10.167 1.00 0.27 H new ATOM 0 HB3 SER B 70 6.203 3.295 8.493 1.00 0.27 H new ATOM 0 HG SER B 70 7.428 4.853 9.275 1.00 0.39 H new ATOM 2598 N GLU B 71 3.597 4.517 11.531 1.00 0.32 N ATOM 2599 CA GLU B 71 3.210 5.381 12.677 1.00 0.39 C ATOM 2600 C GLU B 71 3.297 4.613 13.975 1.00 0.40 C ATOM 2601 O GLU B 71 3.497 3.419 13.991 1.00 0.37 O ATOM 2602 CB GLU B 71 1.772 5.827 12.496 1.00 0.40 C ATOM 2603 CG GLU B 71 0.909 4.608 12.175 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.420 4.710 12.930 1.00 0.68 C ATOM 2605 OE1 GLU B 71 -0.882 5.820 13.130 1.00 1.26 O ATOM 2606 OE2 GLU B 71 -0.951 3.674 13.296 1.00 1.49 O ATOM 0 H GLU B 71 3.518 3.512 11.687 1.00 0.32 H new ATOM 0 HA GLU B 71 3.887 6.235 12.710 1.00 0.39 H new ATOM 0 HB2 GLU B 71 1.412 6.315 13.402 1.00 0.40 H new ATOM 0 HB3 GLU B 71 1.703 6.559 11.691 1.00 0.40 H new ATOM 0 HG2 GLU B 71 0.726 4.551 11.102 1.00 0.49 H new ATOM 0 HG3 GLU B 71 1.431 3.694 12.459 1.00 0.49 H new ATOM 2613 N VAL B 72 3.118 5.293 15.067 1.00 0.45 N ATOM 2614 CA VAL B 72 3.168 4.608 16.372 1.00 0.49 C ATOM 2615 C VAL B 72 1.766 4.119 16.725 1.00 0.52 C ATOM 2616 O VAL B 72 0.786 4.812 16.539 1.00 0.71 O ATOM 2617 CB VAL B 72 3.677 5.567 17.449 1.00 0.59 C ATOM 2618 CG1 VAL B 72 4.043 4.779 18.710 1.00 0.56 C ATOM 2619 CG2 VAL B 72 4.917 6.299 16.931 1.00 0.87 C ATOM 0 H VAL B 72 2.939 6.296 15.108 1.00 0.45 H new ATOM 0 HA VAL B 72 3.850 3.759 16.316 1.00 0.49 H new ATOM 0 HB VAL B 72 2.897 6.290 17.688 1.00 0.59 H new ATOM 0 HG11 VAL B 72 4.405 5.465 19.475 1.00 0.56 H new ATOM 0 HG12 VAL B 72 3.162 4.255 19.080 1.00 0.56 H new ATOM 0 HG13 VAL B 72 4.823 4.055 18.473 1.00 0.56 H new ATOM 0 HG21 VAL B 72 5.282 6.983 17.697 1.00 0.87 H new ATOM 0 HG22 VAL B 72 5.695 5.573 16.692 1.00 0.87 H new ATOM 0 HG23 VAL B 72 4.659 6.862 16.034 1.00 0.87 H new ATOM 2629 N ARG B 73 1.671 2.928 17.235 1.00 0.47 N ATOM 2630 CA ARG B 73 0.345 2.373 17.607 1.00 0.50 C ATOM 2631 C ARG B 73 0.542 1.424 18.781 1.00 0.54 C ATOM 2632 O ARG B 73 1.023 0.320 18.622 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.252 1.610 16.422 1.00 0.49 C ATOM 2634 CG ARG B 73 -1.780 1.677 16.495 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.390 0.733 15.458 1.00 0.72 C ATOM 2636 NE ARG B 73 -3.855 0.611 15.701 1.00 0.90 N ATOM 2637 CZ ARG B 73 -4.295 -0.166 16.653 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -3.453 -0.842 17.384 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -5.578 -0.268 16.872 1.00 1.68 N ATOM 0 H ARG B 73 2.462 2.309 17.412 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.336 3.179 17.880 1.00 0.50 H new ATOM 0 HB2 ARG B 73 0.098 2.041 15.484 1.00 0.49 H new ATOM 0 HB3 ARG B 73 0.079 0.572 16.439 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -2.118 1.402 17.494 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.117 2.698 16.314 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.207 1.112 14.453 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -1.917 -0.247 15.520 1.00 0.72 H new ATOM 0 HE ARG B 73 -4.513 1.134 15.124 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -2.451 -0.764 17.212 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -3.797 -1.449 18.128 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.237 0.260 16.299 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -5.922 -0.875 17.616 1.00 1.68 H new ATOM 2653 N ASP B 74 0.194 1.867 19.957 1.00 0.59 N ATOM 2654 CA ASP B 74 0.366 1.032 21.179 1.00 0.65 C ATOM 2655 C ASP B 74 1.813 1.159 21.651 1.00 0.65 C ATOM 2656 O ASP B 74 2.404 0.219 22.143 1.00 0.67 O ATOM 2657 CB ASP B 74 0.042 -0.431 20.879 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.531 -1.094 22.131 1.00 0.76 C ATOM 2659 OD1 ASP B 74 0.240 -1.373 23.036 1.00 1.35 O ATOM 2660 OD2 ASP B 74 -1.731 -1.313 22.166 1.00 1.25 O ATOM 0 H ASP B 74 -0.209 2.789 20.126 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.315 1.377 21.957 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -0.675 -0.495 20.060 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.942 -0.955 20.557 1.00 0.66 H new ATOM 2665 N ARG B 75 2.389 2.323 21.476 1.00 0.64 N ATOM 2666 CA ARG B 75 3.807 2.556 21.884 1.00 0.66 C ATOM 2667 C ARG B 75 4.725 1.708 21.008 1.00 0.60 C ATOM 2668 O ARG B 75 5.832 1.372 21.380 1.00 0.65 O ATOM 2669 CB ARG B 75 4.016 2.222 23.367 1.00 0.75 C ATOM 2670 CG ARG B 75 4.201 3.521 24.151 1.00 0.85 C ATOM 2671 CD ARG B 75 2.975 4.410 23.946 1.00 0.86 C ATOM 2672 NE ARG B 75 2.512 4.938 25.260 1.00 1.19 N ATOM 2673 CZ ARG B 75 1.706 5.964 25.303 1.00 1.81 C ATOM 2674 NH1 ARG B 75 1.307 6.527 24.195 1.00 2.57 N ATOM 2675 NH2 ARG B 75 1.302 6.429 26.453 1.00 2.18 N ATOM 0 H ARG B 75 1.928 3.133 21.061 1.00 0.64 H new ATOM 0 HA ARG B 75 4.047 3.611 21.749 1.00 0.66 H new ATOM 0 HB2 ARG B 75 3.159 1.669 23.752 1.00 0.75 H new ATOM 0 HB3 ARG B 75 4.890 1.582 23.489 1.00 0.75 H new ATOM 0 HG2 ARG B 75 4.335 3.304 25.211 1.00 0.85 H new ATOM 0 HG3 ARG B 75 5.100 4.038 23.815 1.00 0.85 H new ATOM 0 HD2 ARG B 75 3.220 5.235 23.278 1.00 0.86 H new ATOM 0 HD3 ARG B 75 2.176 3.841 23.470 1.00 0.86 H new ATOM 0 HE ARG B 75 2.825 4.498 26.126 1.00 1.19 H new ATOM 0 HH11 ARG B 75 1.625 6.165 23.296 1.00 2.57 H new ATOM 0 HH12 ARG B 75 0.677 7.329 24.228 1.00 2.57 H new ATOM 0 HH21 ARG B 75 1.616 5.991 27.319 1.00 2.18 H new ATOM 0 HH22 ARG B 75 0.672 7.231 26.486 1.00 2.18 H new ATOM 2689 N ARG B 76 4.279 1.387 19.826 1.00 0.50 N ATOM 2690 CA ARG B 76 5.122 0.588 18.901 1.00 0.44 C ATOM 2691 C ARG B 76 4.825 1.009 17.474 1.00 0.40 C ATOM 2692 O ARG B 76 3.755 1.496 17.166 1.00 0.39 O ATOM 2693 CB ARG B 76 4.808 -0.893 19.006 1.00 0.45 C ATOM 2694 CG ARG B 76 6.054 -1.672 19.443 1.00 0.62 C ATOM 2695 CD ARG B 76 6.454 -1.279 20.865 1.00 1.29 C ATOM 2696 NE ARG B 76 7.056 -2.458 21.550 1.00 1.55 N ATOM 2697 CZ ARG B 76 7.545 -2.335 22.753 1.00 2.38 C ATOM 2698 NH1 ARG B 76 7.512 -1.178 23.355 1.00 3.14 N ATOM 2699 NH2 ARG B 76 8.067 -3.369 23.353 1.00 2.85 N ATOM 0 H ARG B 76 3.362 1.646 19.461 1.00 0.50 H new ATOM 0 HA ARG B 76 6.165 0.760 19.168 1.00 0.44 H new ATOM 0 HB2 ARG B 76 4.002 -1.051 19.723 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.456 -1.266 18.044 1.00 0.45 H new ATOM 0 HG2 ARG B 76 5.857 -2.743 19.396 1.00 0.62 H new ATOM 0 HG3 ARG B 76 6.877 -1.469 18.757 1.00 0.62 H new ATOM 0 HD2 ARG B 76 7.167 -0.455 20.840 1.00 1.29 H new ATOM 0 HD3 ARG B 76 5.582 -0.929 21.417 1.00 1.29 H new ATOM 0 HE ARG B 76 7.086 -3.362 21.078 1.00 1.55 H new ATOM 0 HH11 ARG B 76 7.104 -0.370 22.885 1.00 3.14 H new ATOM 0 HH12 ARG B 76 7.894 -1.081 24.296 1.00 3.14 H new ATOM 0 HH21 ARG B 76 8.093 -4.273 22.881 1.00 2.85 H new ATOM 0 HH22 ARG B 76 8.450 -3.273 24.294 1.00 2.85 H new ATOM 2713 N ARG B 77 5.784 0.863 16.616 1.00 0.38 N ATOM 2714 CA ARG B 77 5.571 1.305 15.213 1.00 0.34 C ATOM 2715 C ARG B 77 4.958 0.215 14.354 1.00 0.30 C ATOM 2716 O ARG B 77 5.292 -0.950 14.438 1.00 0.32 O ATOM 2717 CB ARG B 77 6.867 1.795 14.579 1.00 0.36 C ATOM 2718 CG ARG B 77 6.605 3.170 13.954 1.00 0.47 C ATOM 2719 CD ARG B 77 7.871 3.669 13.262 1.00 0.48 C ATOM 2720 NE ARG B 77 7.522 4.750 12.299 1.00 1.12 N ATOM 2721 CZ ARG B 77 8.466 5.476 11.767 1.00 1.45 C ATOM 2722 NH1 ARG B 77 9.712 5.256 12.086 1.00 1.69 N ATOM 2723 NH2 ARG B 77 8.166 6.422 10.920 1.00 2.39 N ATOM 0 H ARG B 77 6.699 0.461 16.818 1.00 0.38 H new ATOM 0 HA ARG B 77 4.866 2.135 15.259 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.655 1.862 15.329 1.00 0.36 H new ATOM 0 HB3 ARG B 77 7.209 1.091 13.820 1.00 0.36 H new ATOM 0 HG2 ARG B 77 5.788 3.104 13.236 1.00 0.47 H new ATOM 0 HG3 ARG B 77 6.296 3.877 14.724 1.00 0.47 H new ATOM 0 HD2 ARG B 77 8.579 4.042 14.002 1.00 0.48 H new ATOM 0 HD3 ARG B 77 8.360 2.847 12.740 1.00 0.48 H new ATOM 0 HE ARG B 77 6.547 4.922 12.056 1.00 1.12 H new ATOM 0 HH11 ARG B 77 9.946 4.518 12.750 1.00 1.69 H new ATOM 0 HH12 ARG B 77 10.452 5.822 11.671 1.00 1.69 H new ATOM 0 HH21 ARG B 77 7.192 6.595 10.673 1.00 2.39 H new ATOM 0 HH22 ARG B 77 8.906 6.989 10.505 1.00 2.39 H new ATOM 2737 N ILE B 78 4.032 0.620 13.531 1.00 0.26 N ATOM 2738 CA ILE B 78 3.323 -0.318 12.640 1.00 0.23 C ATOM 2739 C ILE B 78 3.121 0.372 11.292 1.00 0.21 C ATOM 2740 O ILE B 78 3.164 1.582 11.193 1.00 0.22 O ATOM 2741 CB ILE B 78 1.958 -0.628 13.259 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.347 -1.882 12.616 1.00 0.26 C ATOM 2743 CG2 ILE B 78 1.019 0.560 13.037 1.00 0.32 C ATOM 2744 CD1 ILE B 78 1.308 -3.020 13.639 1.00 0.58 C ATOM 0 H ILE B 78 3.734 1.592 13.442 1.00 0.26 H new ATOM 0 HA ILE B 78 3.889 -1.240 12.509 1.00 0.23 H new ATOM 0 HB ILE B 78 2.090 -0.807 14.326 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.340 -1.666 12.260 1.00 0.26 H new ATOM 0 HG13 ILE B 78 1.935 -2.180 11.748 1.00 0.26 H new ATOM 0 HG21 ILE B 78 0.046 0.342 13.477 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.439 1.449 13.508 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.902 0.737 11.968 1.00 0.32 H new ATOM 0 HD11 ILE B 78 0.874 -3.908 13.179 1.00 0.58 H new ATOM 0 HD12 ILE B 78 2.321 -3.243 13.974 1.00 0.58 H new ATOM 0 HD13 ILE B 78 0.701 -2.720 14.494 1.00 0.58 H new ATOM 2756 N SER B 79 2.958 -0.381 10.251 1.00 0.20 N ATOM 2757 CA SER B 79 2.820 0.243 8.909 1.00 0.19 C ATOM 2758 C SER B 79 1.363 0.605 8.639 1.00 0.20 C ATOM 2759 O SER B 79 0.447 0.004 9.154 1.00 0.22 O ATOM 2760 CB SER B 79 3.282 -0.744 7.837 1.00 0.22 C ATOM 2761 OG SER B 79 4.682 -0.613 7.647 1.00 0.61 O ATOM 0 H SER B 79 2.914 -1.400 10.267 1.00 0.20 H new ATOM 0 HA SER B 79 3.430 1.146 8.882 1.00 0.19 H new ATOM 0 HB2 SER B 79 3.038 -1.763 8.136 1.00 0.22 H new ATOM 0 HB3 SER B 79 2.757 -0.553 6.901 1.00 0.22 H new ATOM 0 HG SER B 79 5.054 -1.471 7.353 1.00 0.61 H new ATOM 2767 N TYR B 80 1.168 1.617 7.838 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.206 2.096 7.503 1.00 0.29 C ATOM 2769 C TYR B 80 -0.283 2.300 5.990 1.00 0.29 C ATOM 2770 O TYR B 80 0.587 2.905 5.394 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.439 3.428 8.236 1.00 0.41 C ATOM 2772 CG TYR B 80 -1.897 3.649 8.618 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -2.936 3.395 7.718 1.00 1.88 C ATOM 2774 CD2 TYR B 80 -2.200 4.141 9.896 1.00 1.63 C ATOM 2775 CE1 TYR B 80 -4.263 3.626 8.099 1.00 2.80 C ATOM 2776 CE2 TYR B 80 -3.522 4.368 10.274 1.00 2.58 C ATOM 2777 CZ TYR B 80 -4.555 4.113 9.379 1.00 3.04 C ATOM 2778 OH TYR B 80 -5.858 4.342 9.761 1.00 4.08 O ATOM 0 H TYR B 80 1.919 2.144 7.392 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.966 1.378 7.809 1.00 0.29 H new ATOM 0 HB2 TYR B 80 0.175 3.453 9.136 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.107 4.249 7.601 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -2.715 3.021 6.729 1.00 1.88 H new ATOM 0 HD2 TYR B 80 -1.401 4.346 10.594 1.00 1.63 H new ATOM 0 HE1 TYR B 80 -5.065 3.428 7.403 1.00 2.80 H new ATOM 0 HE2 TYR B 80 -3.744 4.742 11.262 1.00 2.58 H new ATOM 0 HH TYR B 80 -5.875 4.678 10.682 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.334 1.825 5.374 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.509 2.005 3.907 1.00 0.32 C ATOM 2790 C ILE B 81 -2.741 2.862 3.660 1.00 0.31 C ATOM 2791 O ILE B 81 -3.821 2.590 4.160 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.700 0.653 3.220 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -1.638 0.836 1.700 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.068 0.079 3.597 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.109 -0.448 1.019 1.00 0.69 C ATOM 0 H ILE B 81 -2.087 1.313 5.834 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.619 2.486 3.500 1.00 0.32 H new ATOM 0 HB ILE B 81 -0.912 -0.028 3.541 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.266 1.674 1.397 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -0.620 1.073 1.392 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.205 -0.885 3.108 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.122 -0.052 4.678 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -3.852 0.765 3.274 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.067 -0.323 -0.063 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.463 -1.275 1.314 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -3.134 -0.664 1.319 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.579 3.886 2.877 1.00 0.30 N ATOM 2808 CA LEU B 82 -3.709 4.780 2.546 1.00 0.29 C ATOM 2809 C LEU B 82 -4.096 4.478 1.103 1.00 0.27 C ATOM 2810 O LEU B 82 -3.282 4.624 0.212 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.247 6.236 2.664 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.243 6.380 3.812 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -1.864 7.854 3.969 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -2.871 5.881 5.115 1.00 0.37 C ATOM 0 H LEU B 82 -1.692 4.144 2.445 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.554 4.627 3.218 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -2.789 6.557 1.728 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.105 6.885 2.838 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.354 5.790 3.589 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.149 7.961 4.785 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.415 8.215 3.044 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -2.757 8.438 4.190 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.153 5.986 5.928 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -3.761 6.469 5.339 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.147 4.832 5.007 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.303 4.027 0.853 1.00 0.23 N ATOM 2827 CA LEU B 83 -5.686 3.687 -0.546 1.00 0.23 C ATOM 2828 C LEU B 83 -6.990 4.385 -0.923 1.00 0.22 C ATOM 2829 O LEU B 83 -8.002 4.249 -0.264 1.00 0.21 O ATOM 2830 CB LEU B 83 -5.858 2.175 -0.653 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.330 1.812 -2.055 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.493 0.650 -2.596 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -7.792 1.398 -1.989 1.00 0.98 C ATOM 0 H LEU B 83 -6.030 3.882 1.553 1.00 0.23 H new ATOM 0 HA LEU B 83 -4.906 4.023 -1.229 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -4.914 1.675 -0.435 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -6.580 1.828 0.086 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.217 2.671 -2.716 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -5.833 0.393 -3.599 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.444 0.943 -2.633 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -5.605 -0.215 -1.942 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -8.141 1.136 -2.988 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -7.897 0.536 -1.330 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.387 2.225 -1.602 1.00 0.98 H new ATOM 2845 N ARG B 84 -6.948 5.134 -1.991 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.158 5.858 -2.446 1.00 0.24 C ATOM 2847 C ARG B 84 -8.822 5.096 -3.590 1.00 0.30 C ATOM 2848 O ARG B 84 -8.274 4.154 -4.126 1.00 0.71 O ATOM 2849 CB ARG B 84 -7.777 7.274 -2.887 1.00 0.29 C ATOM 2850 CG ARG B 84 -8.961 8.221 -2.640 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.546 9.673 -2.873 1.00 0.34 C ATOM 2852 NE ARG B 84 -9.508 10.579 -2.183 1.00 0.41 N ATOM 2853 CZ ARG B 84 -9.247 11.855 -2.087 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.149 12.339 -2.599 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -10.087 12.649 -1.478 1.00 0.60 N ATOM 0 H ARG B 84 -6.119 5.273 -2.569 1.00 0.23 H new ATOM 0 HA ARG B 84 -8.869 5.929 -1.623 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -6.902 7.616 -2.334 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.508 7.278 -3.943 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -9.786 7.962 -3.304 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.324 8.100 -1.619 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -7.537 9.840 -2.495 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.526 9.890 -3.941 1.00 0.34 H new ATOM 0 HE ARG B 84 -10.369 10.203 -1.786 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -7.493 11.721 -3.075 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -7.947 13.336 -2.523 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -10.946 12.272 -1.078 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -9.884 13.646 -1.403 1.00 0.60 H new ATOM 2869 N LEU B 85 -9.997 5.509 -3.973 1.00 0.31 N ATOM 2870 CA LEU B 85 -10.689 4.809 -5.096 1.00 0.28 C ATOM 2871 C LEU B 85 -11.801 5.671 -5.664 1.00 0.27 C ATOM 2872 O LEU B 85 -12.663 6.126 -4.952 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.284 3.499 -4.595 1.00 0.29 C ATOM 2874 CG LEU B 85 -11.164 2.418 -5.668 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -9.779 1.774 -5.612 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -12.222 1.348 -5.412 1.00 0.93 C ATOM 0 H LEU B 85 -10.506 6.292 -3.564 1.00 0.31 H new ATOM 0 HA LEU B 85 -9.957 4.613 -5.879 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -10.769 3.181 -3.689 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.332 3.645 -4.331 1.00 0.29 H new ATOM 0 HG LEU B 85 -11.310 2.867 -6.650 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -9.704 1.005 -6.381 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -9.017 2.534 -5.784 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -9.627 1.323 -4.631 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -12.145 0.571 -6.173 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -12.064 0.908 -4.427 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -13.213 1.799 -5.453 1.00 0.93 H new ATOM 2888 N LYS B 86 -11.792 5.869 -6.950 1.00 0.31 N ATOM 2889 CA LYS B 86 -12.849 6.680 -7.609 1.00 0.33 C ATOM 2890 C LYS B 86 -13.756 5.754 -8.433 1.00 0.30 C ATOM 2891 O LYS B 86 -13.312 4.755 -8.953 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.174 7.698 -8.524 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.226 8.438 -9.356 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.295 7.873 -10.781 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.076 8.851 -11.662 1.00 0.51 C ATOM 2896 NZ LYS B 86 -14.205 8.296 -13.038 1.00 1.31 N ATOM 0 H LYS B 86 -11.084 5.496 -7.583 1.00 0.31 H new ATOM 0 HA LYS B 86 -13.454 7.198 -6.865 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -11.603 8.411 -7.929 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -11.467 7.194 -9.183 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.202 8.349 -8.878 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -12.985 9.500 -9.393 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.290 7.727 -11.178 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -13.781 6.897 -10.777 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -15.064 9.028 -11.237 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -13.565 9.813 -11.694 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -14.630 9.011 -13.662 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -13.264 8.038 -13.398 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -14.811 7.451 -13.016 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.014 6.085 -8.563 1.00 0.28 N ATOM 2911 CA ARG B 87 -15.936 5.216 -9.371 1.00 0.27 C ATOM 2912 C ARG B 87 -16.159 5.818 -10.752 1.00 0.28 C ATOM 2913 O ARG B 87 -16.278 7.018 -10.910 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.294 5.078 -8.690 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.139 4.339 -7.358 1.00 0.61 C ATOM 2916 CD ARG B 87 -16.769 2.870 -7.604 1.00 0.42 C ATOM 2917 NE ARG B 87 -17.215 2.055 -6.439 1.00 0.48 N ATOM 2918 CZ ARG B 87 -16.663 2.232 -5.268 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -15.684 3.082 -5.127 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -17.087 1.549 -4.239 1.00 0.87 N ATOM 0 H ARG B 87 -15.445 6.912 -8.150 1.00 0.28 H new ATOM 0 HA ARG B 87 -15.467 4.236 -9.457 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -17.727 6.064 -8.520 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -17.982 4.535 -9.339 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.368 4.819 -6.755 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.069 4.397 -6.792 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.242 2.511 -8.518 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -15.692 2.771 -7.742 1.00 0.42 H new ATOM 0 HE ARG B 87 -17.951 1.359 -6.556 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -15.348 3.610 -5.932 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -15.255 3.218 -4.212 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -17.848 0.879 -4.350 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -16.657 1.686 -3.324 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.227 4.978 -11.747 1.00 0.28 N ATOM 2935 CA VAL B 88 -16.458 5.461 -13.139 1.00 0.32 C ATOM 2936 C VAL B 88 -17.831 4.989 -13.608 1.00 0.34 C ATOM 2937 O VAL B 88 -18.312 5.381 -14.653 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.381 4.889 -14.058 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -15.307 5.722 -15.339 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.029 4.927 -13.346 1.00 0.68 C ATOM 0 H VAL B 88 -16.131 3.967 -11.655 1.00 0.28 H new ATOM 0 HA VAL B 88 -16.415 6.550 -13.165 1.00 0.32 H new ATOM 0 HB VAL B 88 -15.630 3.858 -14.310 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -14.538 5.313 -15.995 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -16.271 5.693 -15.848 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -15.060 6.754 -15.088 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.261 4.519 -14.002 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -13.780 5.958 -13.093 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.081 4.332 -12.434 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.471 4.158 -12.837 1.00 0.33 N ATOM 2951 CA TYR B 89 -19.819 3.670 -13.231 1.00 0.39 C ATOM 2952 C TYR B 89 -20.480 2.974 -12.039 1.00 0.50 C ATOM 2953 O TYR B 89 -19.985 3.135 -10.936 1.00 1.12 O ATOM 2954 CB TYR B 89 -19.690 2.683 -14.393 1.00 0.41 C ATOM 2955 CG TYR B 89 -20.998 2.621 -15.144 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -21.313 3.610 -16.084 1.00 1.47 C ATOM 2957 CD2 TYR B 89 -21.897 1.576 -14.900 1.00 1.13 C ATOM 2958 CE1 TYR B 89 -22.525 3.554 -16.781 1.00 1.77 C ATOM 2959 CE2 TYR B 89 -23.110 1.520 -15.597 1.00 1.27 C ATOM 2960 CZ TYR B 89 -23.424 2.509 -16.537 1.00 1.26 C ATOM 2961 OH TYR B 89 -24.620 2.453 -17.223 1.00 1.66 O ATOM 2962 OXT TYR B 89 -21.469 2.293 -12.252 1.00 1.01 O ATOM 0 H TYR B 89 -18.119 3.796 -11.951 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.432 4.516 -13.543 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -18.888 2.994 -15.062 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -19.426 1.694 -14.018 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -20.620 4.417 -16.271 1.00 1.47 H new ATOM 0 HD2 TYR B 89 -21.655 0.813 -14.175 1.00 1.13 H new ATOM 0 HE1 TYR B 89 -22.767 4.316 -17.507 1.00 1.77 H new ATOM 0 HE2 TYR B 89 -23.804 0.714 -15.410 1.00 1.27 H new ATOM 0 HH TYR B 89 -25.126 1.664 -16.935 1.00 1.66 H new TER 2972 TYR B 89