USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1076 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 102 TYR OH : rot 180:sc= -0.618 USER MOD Set 1.2: A 125 LYS NZ :NH3+ -141:sc= -0.262 (180deg=-1.21!) USER MOD Set 2.1: A 71 THR OG1 : rot 166:sc= -4.97! USER MOD Set 2.2: A 73 HIS : no HD1:sc= -8.8! C(o=-43!,f=-43!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -28.9! C(o=-43!,f=-52!) USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -2 F(o=-12,f=-12) USER MOD Set 3.2: A 65 ASN : amide:sc= -9.64! C(o=-12!,f=-17!) USER MOD Set 4.1: A 34 TYR OH : rot 150:sc= -1.57! USER MOD Set 4.2: A 64 HIS : no HD1:sc= -12.6! C(o=-14!,f=-15!) USER MOD Set 5.1: A 57 SER OG : rot -77:sc= -1.6! USER MOD Set 5.2: A 59 HIS : no HE2:sc= -11.7! C(o=-13!,f=-23!) USER MOD Set 6.1: A 44 TYR OH : rot -129:sc= 0.337 USER MOD Set 6.2: A 119 SER OG : rot -78:sc= 0.366 USER MOD Set 7.1: A 35 THR OG1 : rot 98:sc= -2.54! USER MOD Set 7.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0037 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -135:sc= -0.145 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.783 F(o=-2.5,f=-0.78) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 45:sc= 0.416 USER MOD Single : A 30 CYS SG : rot -150:sc= -7.34! USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 0.00151 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= -1.64 (180deg=-2.34!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -136:sc= -9.18! (180deg=-13.2!) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.908 (180deg=-1.48) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -150:sc= -0.877 USER MOD Single : A 62 TYR OH : rot 15:sc= -1.69! USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 78 SER OG : rot 130:sc= -0.734 USER MOD Single : A 81 ASN : amide:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.0707 K(o=-0.071,f=-2.3!) USER MOD Single : A 83 TYR OH : rot -15:sc= -4.48! USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -84:sc= -0.0693! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.316 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 95 CYS SG : rot -120:sc= -4.87! USER MOD Single : A 96 LYS NZ :NH3+ -118:sc= -0.0542 (180deg=-1.72) USER MOD Single : A 99 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.7!) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.102) USER MOD Single : A 104 MET CE :methyl 150:sc= -0.72 (180deg=-1.3) USER MOD Single : A 105 TYR OH : rot -172:sc= 0.0045 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -25:sc= 0.909 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -1.51! C(o=-1.5!,f=-4.9!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 109.642 -9.334 30.559 1.00 0.00 N ATOM 2 CA GLY A 1 110.215 -10.131 29.387 1.00 0.00 C ATOM 3 C GLY A 1 111.202 -9.486 28.475 1.00 0.00 C ATOM 4 O GLY A 1 111.427 -8.293 28.531 1.00 0.00 O ATOM 0 H1 GLY A 1 108.974 -9.929 31.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 110.415 -9.036 31.188 1.00 0.00 H new ATOM 0 H3 GLY A 1 109.146 -8.494 30.198 1.00 0.00 H new ATOM 0 HA2 GLY A 1 110.685 -11.024 29.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 109.376 -10.464 28.777 1.00 0.00 H new ATOM 10 N SER A 2 111.814 -10.251 27.613 1.00 0.00 N ATOM 11 CA SER A 2 112.811 -9.665 26.674 1.00 0.00 C ATOM 12 C SER A 2 112.509 -10.140 25.251 1.00 0.00 C ATOM 13 O SER A 2 112.362 -11.319 24.997 1.00 0.00 O ATOM 14 CB SER A 2 114.217 -10.116 27.074 1.00 0.00 C ATOM 15 OG SER A 2 115.154 -9.116 26.698 1.00 0.00 O ATOM 0 H SER A 2 111.667 -11.256 27.519 1.00 0.00 H new ATOM 0 HA SER A 2 112.754 -8.577 26.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 114.264 -10.289 28.149 1.00 0.00 H new ATOM 0 HB3 SER A 2 114.461 -11.061 26.588 1.00 0.00 H new ATOM 0 HG SER A 2 116.056 -9.400 26.954 1.00 0.00 H new ATOM 21 N LYS A 3 112.414 -9.231 24.319 1.00 0.00 N ATOM 22 CA LYS A 3 112.121 -9.633 22.915 1.00 0.00 C ATOM 23 C LYS A 3 112.326 -8.435 21.986 1.00 0.00 C ATOM 24 O LYS A 3 112.107 -7.301 22.363 1.00 0.00 O ATOM 25 CB LYS A 3 110.673 -10.116 22.816 1.00 0.00 C ATOM 26 CG LYS A 3 110.582 -11.253 21.796 1.00 0.00 C ATOM 27 CD LYS A 3 109.227 -11.951 21.928 1.00 0.00 C ATOM 28 CE LYS A 3 109.227 -13.232 21.092 1.00 0.00 C ATOM 29 NZ LYS A 3 107.830 -13.734 20.953 1.00 0.00 N ATOM 0 H LYS A 3 112.527 -8.228 24.470 1.00 0.00 H new ATOM 0 HA LYS A 3 112.794 -10.438 22.619 1.00 0.00 H new ATOM 0 HB2 LYS A 3 110.326 -10.459 23.791 1.00 0.00 H new ATOM 0 HB3 LYS A 3 110.024 -9.293 22.518 1.00 0.00 H new ATOM 0 HG2 LYS A 3 110.704 -10.860 20.786 1.00 0.00 H new ATOM 0 HG3 LYS A 3 111.389 -11.968 21.960 1.00 0.00 H new ATOM 0 HD2 LYS A 3 109.028 -12.187 22.973 1.00 0.00 H new ATOM 0 HD3 LYS A 3 108.430 -11.287 21.594 1.00 0.00 H new ATOM 0 HE2 LYS A 3 109.654 -13.037 20.108 1.00 0.00 H new ATOM 0 HE3 LYS A 3 109.851 -13.989 21.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 107.829 -14.605 20.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 107.438 -13.935 21.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 107.247 -13.013 20.482 1.00 0.00 H new ATOM 43 N VAL A 4 112.750 -8.681 20.775 1.00 0.00 N ATOM 44 CA VAL A 4 112.976 -7.565 19.814 1.00 0.00 C ATOM 45 C VAL A 4 111.847 -6.540 19.934 1.00 0.00 C ATOM 46 O VAL A 4 110.681 -6.884 19.940 1.00 0.00 O ATOM 47 CB VAL A 4 113.003 -8.122 18.391 1.00 0.00 C ATOM 48 CG1 VAL A 4 111.777 -9.008 18.170 1.00 0.00 C ATOM 49 CG2 VAL A 4 112.981 -6.966 17.388 1.00 0.00 C ATOM 0 H VAL A 4 112.950 -9.612 20.409 1.00 0.00 H new ATOM 0 HA VAL A 4 113.926 -7.082 20.040 1.00 0.00 H new ATOM 0 HB VAL A 4 113.910 -8.709 18.248 1.00 0.00 H new ATOM 0 HG11 VAL A 4 111.794 -9.406 17.156 1.00 0.00 H new ATOM 0 HG12 VAL A 4 111.790 -9.832 18.884 1.00 0.00 H new ATOM 0 HG13 VAL A 4 110.871 -8.418 18.313 1.00 0.00 H new ATOM 0 HG21 VAL A 4 113.000 -7.364 16.373 1.00 0.00 H new ATOM 0 HG22 VAL A 4 112.074 -6.378 17.530 1.00 0.00 H new ATOM 0 HG23 VAL A 4 113.853 -6.331 17.545 1.00 0.00 H new ATOM 59 N GLU A 5 112.182 -5.282 20.025 1.00 0.00 N ATOM 60 CA GLU A 5 111.125 -4.239 20.139 1.00 0.00 C ATOM 61 C GLU A 5 110.469 -4.036 18.773 1.00 0.00 C ATOM 62 O GLU A 5 110.977 -3.325 17.929 1.00 0.00 O ATOM 63 CB GLU A 5 111.750 -2.923 20.607 1.00 0.00 C ATOM 64 CG GLU A 5 110.981 -2.399 21.822 1.00 0.00 C ATOM 65 CD GLU A 5 111.887 -1.479 22.643 1.00 0.00 C ATOM 66 OE1 GLU A 5 112.984 -1.900 22.971 1.00 0.00 O ATOM 67 OE2 GLU A 5 111.469 -0.370 22.929 1.00 0.00 O ATOM 0 H GLU A 5 113.140 -4.932 20.025 1.00 0.00 H new ATOM 0 HA GLU A 5 110.374 -4.558 20.862 1.00 0.00 H new ATOM 0 HB2 GLU A 5 112.798 -3.077 20.865 1.00 0.00 H new ATOM 0 HB3 GLU A 5 111.724 -2.189 19.802 1.00 0.00 H new ATOM 0 HG2 GLU A 5 110.093 -1.857 21.497 1.00 0.00 H new ATOM 0 HG3 GLU A 5 110.639 -3.232 22.436 1.00 0.00 H new ATOM 74 N ASP A 6 109.346 -4.661 18.544 1.00 0.00 N ATOM 75 CA ASP A 6 108.663 -4.509 17.230 1.00 0.00 C ATOM 76 C ASP A 6 108.553 -3.020 16.878 1.00 0.00 C ATOM 77 O ASP A 6 108.290 -2.202 17.736 1.00 0.00 O ATOM 78 CB ASP A 6 107.262 -5.117 17.310 1.00 0.00 C ATOM 79 CG ASP A 6 107.209 -6.396 16.473 1.00 0.00 C ATOM 80 OD1 ASP A 6 108.261 -6.972 16.241 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.122 -6.779 16.078 1.00 0.00 O ATOM 0 H ASP A 6 108.873 -5.270 19.211 1.00 0.00 H new ATOM 0 HA ASP A 6 109.240 -5.023 16.461 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.009 -5.338 18.347 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.523 -4.402 16.947 1.00 0.00 H new ATOM 86 N PRO A 7 108.760 -2.713 15.621 1.00 0.00 N ATOM 87 CA PRO A 7 108.692 -1.329 15.118 1.00 0.00 C ATOM 88 C PRO A 7 107.235 -0.899 14.931 1.00 0.00 C ATOM 89 O PRO A 7 106.452 -1.579 14.299 1.00 0.00 O ATOM 90 CB PRO A 7 109.412 -1.402 13.769 1.00 0.00 C ATOM 91 CG PRO A 7 109.345 -2.880 13.317 1.00 0.00 C ATOM 92 CD PRO A 7 109.080 -3.716 14.583 1.00 0.00 C ATOM 0 HA PRO A 7 109.139 -0.604 15.798 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.934 -0.750 13.038 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.446 -1.071 13.863 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.552 -3.025 12.584 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.278 -3.182 12.841 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.255 -4.412 14.435 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.952 -4.309 14.858 1.00 0.00 H new ATOM 100 N LYS A 8 106.867 0.231 15.472 1.00 0.00 N ATOM 101 CA LYS A 8 105.463 0.705 15.319 1.00 0.00 C ATOM 102 C LYS A 8 105.331 1.487 14.010 1.00 0.00 C ATOM 103 O LYS A 8 104.258 1.928 13.645 1.00 0.00 O ATOM 104 CB LYS A 8 105.097 1.611 16.497 1.00 0.00 C ATOM 105 CG LYS A 8 106.017 2.834 16.504 1.00 0.00 C ATOM 106 CD LYS A 8 106.693 2.958 17.871 1.00 0.00 C ATOM 107 CE LYS A 8 107.945 3.826 17.744 1.00 0.00 C ATOM 108 NZ LYS A 8 109.130 2.958 17.493 1.00 0.00 N ATOM 0 H LYS A 8 107.477 0.845 16.012 1.00 0.00 H new ATOM 0 HA LYS A 8 104.789 -0.152 15.300 1.00 0.00 H new ATOM 0 HB2 LYS A 8 104.056 1.926 16.418 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.194 1.064 17.435 1.00 0.00 H new ATOM 0 HG2 LYS A 8 106.770 2.740 15.722 1.00 0.00 H new ATOM 0 HG3 LYS A 8 105.443 3.735 16.287 1.00 0.00 H new ATOM 0 HD2 LYS A 8 106.003 3.399 18.591 1.00 0.00 H new ATOM 0 HD3 LYS A 8 106.959 1.970 18.248 1.00 0.00 H new ATOM 0 HE2 LYS A 8 107.824 4.539 16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 8 108.092 4.406 18.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 109.981 3.549 17.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 109.248 2.294 18.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 108.989 2.424 16.612 1.00 0.00 H new ATOM 122 N ASP A 9 106.413 1.664 13.299 1.00 0.00 N ATOM 123 CA ASP A 9 106.347 2.418 12.016 1.00 0.00 C ATOM 124 C ASP A 9 107.735 2.446 11.371 1.00 0.00 C ATOM 125 O ASP A 9 108.561 1.591 11.618 1.00 0.00 O ATOM 126 CB ASP A 9 105.881 3.850 12.288 1.00 0.00 C ATOM 127 CG ASP A 9 104.759 4.215 11.314 1.00 0.00 C ATOM 128 OD1 ASP A 9 105.058 4.434 10.153 1.00 0.00 O ATOM 129 OD2 ASP A 9 103.619 4.270 11.749 1.00 0.00 O ATOM 0 H ASP A 9 107.339 1.319 13.552 1.00 0.00 H new ATOM 0 HA ASP A 9 105.642 1.930 11.343 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.529 3.940 13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.715 4.543 12.175 1.00 0.00 H new ATOM 134 N PHE A 10 107.998 3.425 10.548 1.00 0.00 N ATOM 135 CA PHE A 10 109.334 3.504 9.891 1.00 0.00 C ATOM 136 C PHE A 10 110.369 4.012 10.899 1.00 0.00 C ATOM 137 O PHE A 10 110.020 4.630 11.886 1.00 0.00 O ATOM 138 CB PHE A 10 109.264 4.468 8.704 1.00 0.00 C ATOM 139 CG PHE A 10 108.666 3.758 7.512 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.359 3.264 7.575 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.421 3.597 6.344 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.804 2.608 6.469 1.00 0.00 C ATOM 143 CE2 PHE A 10 108.868 2.940 5.238 1.00 0.00 C ATOM 144 CZ PHE A 10 107.559 2.446 5.301 1.00 0.00 C ATOM 0 H PHE A 10 107.348 4.171 10.303 1.00 0.00 H new ATOM 0 HA PHE A 10 109.624 2.514 9.539 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.660 5.337 8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.261 4.834 8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.778 3.388 8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.430 3.980 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.794 2.227 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.450 2.814 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.132 1.940 4.448 1.00 0.00 H new ATOM 154 N PRO A 11 111.617 3.735 10.617 1.00 0.00 N ATOM 155 CA PRO A 11 112.737 4.148 11.479 1.00 0.00 C ATOM 156 C PRO A 11 113.062 5.628 11.259 1.00 0.00 C ATOM 157 O PRO A 11 113.199 6.083 10.141 1.00 0.00 O ATOM 158 CB PRO A 11 113.894 3.260 11.014 1.00 0.00 C ATOM 159 CG PRO A 11 113.548 2.812 9.574 1.00 0.00 C ATOM 160 CD PRO A 11 112.025 2.982 9.414 1.00 0.00 C ATOM 0 HA PRO A 11 112.523 4.039 12.542 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.836 3.807 11.035 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.011 2.398 11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.084 3.415 8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 11 113.842 1.775 9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.778 3.525 8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.520 2.018 9.357 1.00 0.00 H new ATOM 168 N SER A 12 113.186 6.382 12.316 1.00 0.00 N ATOM 169 CA SER A 12 113.502 7.829 12.166 1.00 0.00 C ATOM 170 C SER A 12 114.608 8.008 11.124 1.00 0.00 C ATOM 171 O SER A 12 114.679 9.014 10.448 1.00 0.00 O ATOM 172 CB SER A 12 113.972 8.389 13.510 1.00 0.00 C ATOM 173 OG SER A 12 114.727 7.397 14.193 1.00 0.00 O ATOM 0 H SER A 12 113.082 6.058 13.278 1.00 0.00 H new ATOM 0 HA SER A 12 112.609 8.363 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.579 9.281 13.353 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.114 8.689 14.112 1.00 0.00 H new ATOM 0 HG SER A 12 115.031 7.753 15.054 1.00 0.00 H new ATOM 179 N GLU A 13 115.472 7.040 10.990 1.00 0.00 N ATOM 180 CA GLU A 13 116.571 7.157 9.991 1.00 0.00 C ATOM 181 C GLU A 13 115.978 7.408 8.604 1.00 0.00 C ATOM 182 O GLU A 13 116.351 8.337 7.917 1.00 0.00 O ATOM 183 CB GLU A 13 117.384 5.860 9.970 1.00 0.00 C ATOM 184 CG GLU A 13 118.622 6.047 9.089 1.00 0.00 C ATOM 185 CD GLU A 13 119.886 5.888 9.935 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.764 5.849 11.149 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.957 5.808 9.356 1.00 0.00 O ATOM 0 H GLU A 13 115.465 6.174 11.529 1.00 0.00 H new ATOM 0 HA GLU A 13 117.220 7.989 10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.683 5.589 10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 13 116.773 5.042 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 13 118.619 5.315 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.605 7.033 8.626 1.00 0.00 H new ATOM 194 N LEU A 14 115.053 6.586 8.187 1.00 0.00 N ATOM 195 CA LEU A 14 114.438 6.778 6.844 1.00 0.00 C ATOM 196 C LEU A 14 113.335 7.834 6.933 1.00 0.00 C ATOM 197 O LEU A 14 112.798 8.272 5.935 1.00 0.00 O ATOM 198 CB LEU A 14 113.838 5.456 6.363 1.00 0.00 C ATOM 199 CG LEU A 14 114.935 4.392 6.304 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.297 3.003 6.279 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.771 4.593 5.039 1.00 0.00 C ATOM 0 H LEU A 14 114.698 5.791 8.718 1.00 0.00 H new ATOM 0 HA LEU A 14 115.202 7.108 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.043 5.138 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.388 5.585 5.379 1.00 0.00 H new ATOM 0 HG LEU A 14 115.576 4.481 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.079 2.244 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.701 2.860 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.656 2.913 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.553 3.835 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 14 115.130 4.504 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 14 116.226 5.583 5.057 1.00 0.00 H new ATOM 213 N LEU A 15 112.994 8.251 8.122 1.00 0.00 N ATOM 214 CA LEU A 15 111.930 9.283 8.269 1.00 0.00 C ATOM 215 C LEU A 15 112.441 10.619 7.723 1.00 0.00 C ATOM 216 O LEU A 15 111.705 11.582 7.623 1.00 0.00 O ATOM 217 CB LEU A 15 111.571 9.437 9.749 1.00 0.00 C ATOM 218 CG LEU A 15 110.837 8.183 10.232 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.255 8.434 11.624 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.704 7.852 9.260 1.00 0.00 C ATOM 0 H LEU A 15 113.405 7.922 8.996 1.00 0.00 H new ATOM 0 HA LEU A 15 111.044 8.978 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.475 9.592 10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.943 10.316 9.892 1.00 0.00 H new ATOM 0 HG LEU A 15 111.536 7.348 10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.733 7.541 11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.061 8.672 12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.556 9.269 11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.180 6.959 9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 15 109.006 8.688 9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 15 110.117 7.672 8.267 1.00 0.00 H new ATOM 232 N SER A 16 113.696 10.686 7.371 1.00 0.00 N ATOM 233 CA SER A 16 114.256 11.959 6.834 1.00 0.00 C ATOM 234 C SER A 16 113.579 12.303 5.505 1.00 0.00 C ATOM 235 O SER A 16 113.564 13.445 5.087 1.00 0.00 O ATOM 236 CB SER A 16 115.759 11.797 6.611 1.00 0.00 C ATOM 237 OG SER A 16 116.461 12.382 7.699 1.00 0.00 O ATOM 0 H SER A 16 114.359 9.913 7.432 1.00 0.00 H new ATOM 0 HA SER A 16 114.075 12.762 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 16 116.014 10.741 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 16 116.053 12.273 5.676 1.00 0.00 H new ATOM 0 HG SER A 16 117.425 12.278 7.560 1.00 0.00 H new ATOM 243 N PHE A 17 113.020 11.332 4.836 1.00 0.00 N ATOM 244 CA PHE A 17 112.350 11.623 3.535 1.00 0.00 C ATOM 245 C PHE A 17 111.186 10.654 3.317 1.00 0.00 C ATOM 246 O PHE A 17 111.288 9.703 2.568 1.00 0.00 O ATOM 247 CB PHE A 17 113.354 11.480 2.387 1.00 0.00 C ATOM 248 CG PHE A 17 114.326 10.355 2.671 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.919 9.226 3.393 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.640 10.440 2.195 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.825 8.189 3.639 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.545 9.403 2.439 1.00 0.00 C ATOM 253 CZ PHE A 17 116.139 8.276 3.162 1.00 0.00 C ATOM 0 H PHE A 17 112.997 10.356 5.131 1.00 0.00 H new ATOM 0 HA PHE A 17 111.969 12.644 3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.824 11.284 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.899 12.415 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.906 9.156 3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.955 11.310 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.511 7.320 4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.557 9.472 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.838 7.475 3.352 1.00 0.00 H new ATOM 263 N LEU A 18 110.075 10.890 3.960 1.00 0.00 N ATOM 264 CA LEU A 18 108.907 9.985 3.783 1.00 0.00 C ATOM 265 C LEU A 18 107.624 10.815 3.697 1.00 0.00 C ATOM 266 O LEU A 18 107.664 12.026 3.605 1.00 0.00 O ATOM 267 CB LEU A 18 108.819 9.028 4.973 1.00 0.00 C ATOM 268 CG LEU A 18 109.136 7.607 4.506 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.553 6.757 5.708 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.893 6.995 3.856 1.00 0.00 C ATOM 0 H LEU A 18 109.927 11.670 4.600 1.00 0.00 H new ATOM 0 HA LEU A 18 109.028 9.411 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.520 9.332 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.821 9.065 5.411 1.00 0.00 H new ATOM 0 HG LEU A 18 109.949 7.635 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.779 5.744 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 18 110.438 7.193 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.740 6.728 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.118 5.982 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.080 6.966 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.594 7.600 3.000 1.00 0.00 H new ATOM 282 N SER A 19 106.489 10.175 3.724 1.00 0.00 N ATOM 283 CA SER A 19 105.207 10.928 3.641 1.00 0.00 C ATOM 284 C SER A 19 104.618 11.098 5.043 1.00 0.00 C ATOM 285 O SER A 19 104.026 12.110 5.360 1.00 0.00 O ATOM 286 CB SER A 19 104.220 10.156 2.765 1.00 0.00 C ATOM 287 OG SER A 19 104.869 9.014 2.222 1.00 0.00 O ATOM 0 H SER A 19 106.394 9.162 3.800 1.00 0.00 H new ATOM 0 HA SER A 19 105.392 11.910 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.355 9.851 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.851 10.795 1.963 1.00 0.00 H new ATOM 0 HG SER A 19 104.651 8.936 1.270 1.00 0.00 H new ATOM 293 N HIS A 20 104.776 10.115 5.885 1.00 0.00 N ATOM 294 CA HIS A 20 104.224 10.221 7.267 1.00 0.00 C ATOM 295 C HIS A 20 102.707 10.403 7.196 1.00 0.00 C ATOM 296 O HIS A 20 102.136 11.217 7.895 1.00 0.00 O ATOM 297 CB HIS A 20 104.848 11.424 7.977 1.00 0.00 C ATOM 298 CG HIS A 20 106.328 11.453 7.712 1.00 0.00 C ATOM 299 ND1 HIS A 20 107.166 12.458 7.301 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 107.128 10.331 7.870 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 108.467 11.972 7.204 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 108.388 10.686 7.558 1.00 0.00 N flip ATOM 0 H HIS A 20 105.263 9.243 5.677 1.00 0.00 H new ATOM 0 HA HIS A 20 104.457 9.312 7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 20 104.387 12.347 7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.661 11.364 9.049 1.00 0.00 H new ATOM 0 HD1 HIS A 20 106.880 13.416 7.097 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.800 9.352 8.186 1.00 0.00 H new ATOM 0 HE1 HIS A 20 109.350 12.517 6.906 1.00 0.00 H new ATOM 310 N ALA A 21 102.048 9.651 6.358 1.00 0.00 N ATOM 311 CA ALA A 21 100.568 9.781 6.246 1.00 0.00 C ATOM 312 C ALA A 21 99.990 8.492 5.661 1.00 0.00 C ATOM 313 O ALA A 21 100.698 7.684 5.093 1.00 0.00 O ATOM 314 CB ALA A 21 100.227 10.956 5.326 1.00 0.00 C ATOM 0 H ALA A 21 102.470 8.952 5.746 1.00 0.00 H new ATOM 0 HA ALA A 21 100.141 9.958 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 21 99.144 11.051 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.642 11.875 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.652 10.780 4.338 1.00 0.00 H new ATOM 320 N VAL A 22 98.708 8.292 5.794 1.00 0.00 N ATOM 321 CA VAL A 22 98.086 7.054 5.245 1.00 0.00 C ATOM 322 C VAL A 22 96.938 7.433 4.310 1.00 0.00 C ATOM 323 O VAL A 22 97.027 7.282 3.107 1.00 0.00 O ATOM 324 CB VAL A 22 97.548 6.202 6.397 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.301 4.774 5.907 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.572 6.180 7.535 1.00 0.00 C ATOM 0 H VAL A 22 98.064 8.932 6.259 1.00 0.00 H new ATOM 0 HA VAL A 22 98.832 6.485 4.690 1.00 0.00 H new ATOM 0 HB VAL A 22 96.612 6.628 6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.918 4.169 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.572 4.788 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 22 98.236 4.346 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.190 5.574 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.508 5.754 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.748 7.197 7.886 1.00 0.00 H new ATOM 336 N PHE A 23 95.863 7.924 4.855 1.00 0.00 N ATOM 337 CA PHE A 23 94.704 8.315 4.005 1.00 0.00 C ATOM 338 C PHE A 23 94.890 9.753 3.518 1.00 0.00 C ATOM 339 O PHE A 23 93.962 10.537 3.501 1.00 0.00 O ATOM 340 CB PHE A 23 93.417 8.220 4.827 1.00 0.00 C ATOM 341 CG PHE A 23 93.066 6.769 5.057 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.949 5.938 5.756 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.858 6.255 4.571 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.624 4.593 5.971 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.533 4.910 4.786 1.00 0.00 C ATOM 346 CZ PHE A 23 92.416 4.079 5.485 1.00 0.00 C ATOM 0 H PHE A 23 95.735 8.072 5.856 1.00 0.00 H new ATOM 0 HA PHE A 23 94.640 7.646 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.546 8.729 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.603 8.723 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.882 6.334 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.177 6.896 4.030 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.305 3.952 6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.600 4.514 4.412 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.165 3.041 5.649 1.00 0.00 H new ATOM 356 N SER A 24 96.083 10.107 3.123 1.00 0.00 N ATOM 357 CA SER A 24 96.324 11.496 2.640 1.00 0.00 C ATOM 358 C SER A 24 95.362 11.813 1.494 1.00 0.00 C ATOM 359 O SER A 24 94.491 11.031 1.168 1.00 0.00 O ATOM 360 CB SER A 24 97.766 11.623 2.145 1.00 0.00 C ATOM 361 OG SER A 24 98.354 12.789 2.706 1.00 0.00 O ATOM 0 H SER A 24 96.899 9.496 3.114 1.00 0.00 H new ATOM 0 HA SER A 24 96.158 12.197 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.339 10.740 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.785 11.680 1.057 1.00 0.00 H new ATOM 0 HG SER A 24 99.279 12.872 2.392 1.00 0.00 H new ATOM 367 N ASN A 25 95.512 12.954 0.881 1.00 0.00 N ATOM 368 CA ASN A 25 94.608 13.321 -0.244 1.00 0.00 C ATOM 369 C ASN A 25 95.406 13.353 -1.549 1.00 0.00 C ATOM 370 O ASN A 25 94.880 13.106 -2.616 1.00 0.00 O ATOM 371 CB ASN A 25 94.003 14.701 0.018 1.00 0.00 C ATOM 372 CG ASN A 25 92.756 14.886 -0.849 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.778 15.622 -1.817 1.00 0.00 O ATOM 374 ND2 ASN A 25 91.661 14.246 -0.541 1.00 0.00 N ATOM 0 H ASN A 25 96.222 13.649 1.111 1.00 0.00 H new ATOM 0 HA ASN A 25 93.809 12.584 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.744 14.802 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.733 15.478 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.824 14.363 -1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.642 13.629 0.271 1.00 0.00 H new ATOM 381 N ARG A 26 96.673 13.655 -1.472 1.00 0.00 N ATOM 382 CA ARG A 26 97.504 13.702 -2.707 1.00 0.00 C ATOM 383 C ARG A 26 97.583 12.302 -3.320 1.00 0.00 C ATOM 384 O ARG A 26 97.229 11.321 -2.697 1.00 0.00 O ATOM 385 CB ARG A 26 98.913 14.189 -2.358 1.00 0.00 C ATOM 386 CG ARG A 26 99.565 13.213 -1.375 1.00 0.00 C ATOM 387 CD ARG A 26 100.416 13.992 -0.372 1.00 0.00 C ATOM 388 NE ARG A 26 101.192 15.043 -1.090 1.00 0.00 N ATOM 389 CZ ARG A 26 101.692 16.051 -0.429 1.00 0.00 C ATOM 390 NH1 ARG A 26 100.960 16.690 0.442 1.00 0.00 N ATOM 391 NH2 ARG A 26 102.926 16.419 -0.638 1.00 0.00 N ATOM 0 H ARG A 26 97.168 13.871 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 26 97.052 14.388 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.516 14.267 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.866 15.186 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.799 12.641 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 26 100.184 12.496 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 26 99.778 14.449 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 26 101.094 13.316 0.148 1.00 0.00 H new ATOM 0 HE ARG A 26 101.332 14.974 -2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 26 99.996 16.402 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 26 101.352 17.478 0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 26 103.499 15.919 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 26 103.318 17.207 -0.122 1.00 0.00 H new ATOM 405 N THR A 27 98.041 12.203 -4.538 1.00 0.00 N ATOM 406 CA THR A 27 98.138 10.868 -5.190 1.00 0.00 C ATOM 407 C THR A 27 99.589 10.599 -5.596 1.00 0.00 C ATOM 408 O THR A 27 100.146 11.281 -6.433 1.00 0.00 O ATOM 409 CB THR A 27 97.248 10.845 -6.435 1.00 0.00 C ATOM 410 OG1 THR A 27 97.525 11.988 -7.232 1.00 0.00 O ATOM 411 CG2 THR A 27 95.778 10.856 -6.013 1.00 0.00 C ATOM 0 H THR A 27 98.352 12.989 -5.109 1.00 0.00 H new ATOM 0 HA THR A 27 97.809 10.098 -4.491 1.00 0.00 H new ATOM 0 HB THR A 27 97.450 9.942 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.495 12.115 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.145 10.840 -6.900 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.568 9.978 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.572 11.758 -5.437 1.00 0.00 H new ATOM 419 N LEU A 28 100.204 9.609 -5.010 1.00 0.00 N ATOM 420 CA LEU A 28 101.618 9.292 -5.361 1.00 0.00 C ATOM 421 C LEU A 28 101.706 7.840 -5.833 1.00 0.00 C ATOM 422 O LEU A 28 101.113 6.959 -5.251 1.00 0.00 O ATOM 423 CB LEU A 28 102.506 9.482 -4.127 1.00 0.00 C ATOM 424 CG LEU A 28 101.716 9.120 -2.867 1.00 0.00 C ATOM 425 CD1 LEU A 28 102.684 8.703 -1.757 1.00 0.00 C ATOM 426 CD2 LEU A 28 100.908 10.336 -2.409 1.00 0.00 C ATOM 0 H LEU A 28 99.788 9.004 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 28 101.956 9.957 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 28 103.394 8.854 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.850 10.515 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 28 101.040 8.293 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.120 8.446 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 28 103.261 7.838 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 28 103.361 9.528 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 100.344 10.081 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 28 101.585 11.161 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 28 100.218 10.633 -3.199 1.00 0.00 H new ATOM 438 N ALA A 29 102.440 7.582 -6.882 1.00 0.00 N ATOM 439 CA ALA A 29 102.559 6.180 -7.381 1.00 0.00 C ATOM 440 C ALA A 29 103.768 5.507 -6.726 1.00 0.00 C ATOM 441 O ALA A 29 104.093 4.374 -7.019 1.00 0.00 O ATOM 442 CB ALA A 29 102.753 6.193 -8.899 1.00 0.00 C ATOM 0 H ALA A 29 102.961 8.279 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 29 101.652 5.629 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.840 5.169 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.897 6.675 -9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.661 6.744 -9.145 1.00 0.00 H new ATOM 448 N CYS A 30 104.439 6.195 -5.845 1.00 0.00 N ATOM 449 CA CYS A 30 105.625 5.593 -5.174 1.00 0.00 C ATOM 450 C CYS A 30 105.259 5.245 -3.730 1.00 0.00 C ATOM 451 O CYS A 30 104.926 6.107 -2.942 1.00 0.00 O ATOM 452 CB CYS A 30 106.781 6.601 -5.188 1.00 0.00 C ATOM 453 SG CYS A 30 108.074 6.077 -4.032 1.00 0.00 S ATOM 0 H CYS A 30 104.217 7.149 -5.560 1.00 0.00 H new ATOM 0 HA CYS A 30 105.931 4.688 -5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.192 6.681 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.415 7.590 -4.913 1.00 0.00 H new ATOM 0 HG CYS A 30 108.689 7.123 -3.565 1.00 0.00 H new ATOM 459 N PHE A 31 105.317 3.991 -3.372 1.00 0.00 N ATOM 460 CA PHE A 31 104.969 3.615 -1.973 1.00 0.00 C ATOM 461 C PHE A 31 106.096 2.783 -1.356 1.00 0.00 C ATOM 462 O PHE A 31 106.894 2.180 -2.050 1.00 0.00 O ATOM 463 CB PHE A 31 103.687 2.784 -1.965 1.00 0.00 C ATOM 464 CG PHE A 31 102.594 3.486 -2.728 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.659 3.567 -4.122 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.503 4.036 -2.044 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.637 4.200 -4.833 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.478 4.665 -2.755 1.00 0.00 C ATOM 469 CZ PHE A 31 100.544 4.748 -4.150 1.00 0.00 C ATOM 0 H PHE A 31 105.587 3.218 -3.981 1.00 0.00 H new ATOM 0 HA PHE A 31 104.826 4.527 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.878 1.807 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.367 2.610 -0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.499 3.140 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.454 3.974 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.690 4.267 -5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.635 5.087 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.752 5.235 -4.700 1.00 0.00 H new ATOM 479 N ALA A 32 106.153 2.736 -0.052 1.00 0.00 N ATOM 480 CA ALA A 32 107.207 1.936 0.631 1.00 0.00 C ATOM 481 C ALA A 32 106.551 1.087 1.721 1.00 0.00 C ATOM 482 O ALA A 32 105.950 1.601 2.644 1.00 0.00 O ATOM 483 CB ALA A 32 108.241 2.868 1.266 1.00 0.00 C ATOM 0 H ALA A 32 105.509 3.222 0.573 1.00 0.00 H new ATOM 0 HA ALA A 32 107.707 1.295 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.008 2.275 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.702 3.482 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.751 3.512 1.996 1.00 0.00 H new ATOM 489 N ILE A 33 106.652 -0.207 1.620 1.00 0.00 N ATOM 490 CA ILE A 33 106.025 -1.086 2.644 1.00 0.00 C ATOM 491 C ILE A 33 107.092 -1.581 3.620 1.00 0.00 C ATOM 492 O ILE A 33 107.917 -2.410 3.291 1.00 0.00 O ATOM 493 CB ILE A 33 105.363 -2.274 1.947 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.474 -1.750 0.815 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.510 -3.053 2.952 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.894 -2.922 0.020 1.00 0.00 C ATOM 0 H ILE A 33 107.143 -0.695 0.871 1.00 0.00 H new ATOM 0 HA ILE A 33 105.272 -0.526 3.199 1.00 0.00 H new ATOM 0 HB ILE A 33 106.127 -2.937 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.667 -1.144 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.054 -1.104 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.040 -3.899 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.143 -3.416 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 33 103.739 -2.399 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.263 -2.540 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.707 -3.511 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.298 -3.551 0.682 1.00 0.00 H new ATOM 508 N TYR A 34 107.079 -1.077 4.824 1.00 0.00 N ATOM 509 CA TYR A 34 108.084 -1.515 5.829 1.00 0.00 C ATOM 510 C TYR A 34 107.487 -2.638 6.676 1.00 0.00 C ATOM 511 O TYR A 34 106.481 -2.463 7.334 1.00 0.00 O ATOM 512 CB TYR A 34 108.451 -0.333 6.730 1.00 0.00 C ATOM 513 CG TYR A 34 109.220 -0.831 7.932 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.219 -1.798 7.773 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.932 -0.324 9.205 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.929 -2.258 8.886 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.643 -0.784 10.318 1.00 0.00 C ATOM 518 CZ TYR A 34 110.642 -1.752 10.159 1.00 0.00 C ATOM 519 OH TYR A 34 111.344 -2.206 11.257 1.00 0.00 O ATOM 0 H TYR A 34 106.413 -0.379 5.154 1.00 0.00 H new ATOM 0 HA TYR A 34 108.980 -1.874 5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.051 0.388 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.548 0.185 7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.441 -2.189 6.791 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.161 0.422 9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.700 -3.005 8.763 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.422 -0.393 11.300 1.00 0.00 H new ATOM 0 HH TYR A 34 111.400 -1.493 11.927 1.00 0.00 H new ATOM 529 N THR A 35 108.090 -3.792 6.662 1.00 0.00 N ATOM 530 CA THR A 35 107.541 -4.918 7.466 1.00 0.00 C ATOM 531 C THR A 35 108.524 -6.092 7.444 1.00 0.00 C ATOM 532 O THR A 35 109.574 -6.025 6.837 1.00 0.00 O ATOM 533 CB THR A 35 106.189 -5.365 6.889 1.00 0.00 C ATOM 534 OG1 THR A 35 106.140 -6.782 6.842 1.00 0.00 O ATOM 535 CG2 THR A 35 105.998 -4.804 5.476 1.00 0.00 C ATOM 0 H THR A 35 108.935 -4.004 6.132 1.00 0.00 H new ATOM 0 HA THR A 35 107.396 -4.585 8.494 1.00 0.00 H new ATOM 0 HB THR A 35 105.392 -4.987 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 35 105.657 -7.119 7.625 1.00 0.00 H new ATOM 0 HG21 THR A 35 105.035 -5.130 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 35 106.026 -3.715 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.797 -5.167 4.829 1.00 0.00 H new ATOM 543 N THR A 36 108.191 -7.165 8.105 1.00 0.00 N ATOM 544 CA THR A 36 109.102 -8.346 8.130 1.00 0.00 C ATOM 545 C THR A 36 109.467 -8.752 6.696 1.00 0.00 C ATOM 546 O THR A 36 108.746 -8.476 5.752 1.00 0.00 O ATOM 547 CB THR A 36 108.399 -9.516 8.826 1.00 0.00 C ATOM 548 OG1 THR A 36 107.050 -9.585 8.384 1.00 0.00 O ATOM 549 CG2 THR A 36 108.430 -9.313 10.343 1.00 0.00 C ATOM 0 H THR A 36 107.324 -7.277 8.631 1.00 0.00 H new ATOM 0 HA THR A 36 110.011 -8.087 8.673 1.00 0.00 H new ATOM 0 HB THR A 36 108.914 -10.444 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.599 -10.334 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.929 -10.148 10.832 1.00 0.00 H new ATOM 0 HG22 THR A 36 109.465 -9.262 10.682 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.919 -8.384 10.596 1.00 0.00 H new ATOM 557 N LYS A 37 110.585 -9.407 6.528 1.00 0.00 N ATOM 558 CA LYS A 37 111.006 -9.834 5.169 1.00 0.00 C ATOM 559 C LYS A 37 110.000 -10.848 4.615 1.00 0.00 C ATOM 560 O LYS A 37 109.556 -10.740 3.491 1.00 0.00 O ATOM 561 CB LYS A 37 112.390 -10.477 5.254 1.00 0.00 C ATOM 562 CG LYS A 37 112.313 -11.749 6.099 1.00 0.00 C ATOM 563 CD LYS A 37 113.726 -12.241 6.415 1.00 0.00 C ATOM 564 CE LYS A 37 113.682 -13.182 7.619 1.00 0.00 C ATOM 565 NZ LYS A 37 113.298 -14.550 7.168 1.00 0.00 N ATOM 0 H LYS A 37 111.225 -9.664 7.279 1.00 0.00 H new ATOM 0 HA LYS A 37 111.044 -8.969 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.754 -10.714 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.101 -9.778 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.771 -11.551 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.760 -12.520 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.144 -12.758 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.379 -11.394 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 37 114.656 -13.209 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.966 -12.816 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 113.662 -15.253 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.262 -14.621 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 113.702 -14.732 6.227 1.00 0.00 H new ATOM 579 N GLU A 38 109.635 -11.832 5.396 1.00 0.00 N ATOM 580 CA GLU A 38 108.660 -12.846 4.910 1.00 0.00 C ATOM 581 C GLU A 38 107.468 -12.132 4.276 1.00 0.00 C ATOM 582 O GLU A 38 106.814 -12.650 3.393 1.00 0.00 O ATOM 583 CB GLU A 38 108.174 -13.696 6.088 1.00 0.00 C ATOM 584 CG GLU A 38 108.497 -15.169 5.826 1.00 0.00 C ATOM 585 CD GLU A 38 109.157 -15.772 7.067 1.00 0.00 C ATOM 586 OE1 GLU A 38 109.989 -15.102 7.656 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.818 -16.894 7.408 1.00 0.00 O ATOM 0 H GLU A 38 109.971 -11.975 6.348 1.00 0.00 H new ATOM 0 HA GLU A 38 109.140 -13.490 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.654 -13.366 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.100 -13.567 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.585 -15.715 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.161 -15.260 4.967 1.00 0.00 H new ATOM 594 N LYS A 39 107.182 -10.944 4.727 1.00 0.00 N ATOM 595 CA LYS A 39 106.034 -10.181 4.164 1.00 0.00 C ATOM 596 C LYS A 39 106.405 -9.636 2.787 1.00 0.00 C ATOM 597 O LYS A 39 105.756 -9.924 1.802 1.00 0.00 O ATOM 598 CB LYS A 39 105.704 -9.018 5.096 1.00 0.00 C ATOM 599 CG LYS A 39 104.475 -9.365 5.931 1.00 0.00 C ATOM 600 CD LYS A 39 104.651 -10.755 6.549 1.00 0.00 C ATOM 601 CE LYS A 39 103.683 -11.734 5.885 1.00 0.00 C ATOM 602 NZ LYS A 39 104.454 -12.833 5.238 1.00 0.00 N ATOM 0 H LYS A 39 107.697 -10.465 5.466 1.00 0.00 H new ATOM 0 HA LYS A 39 105.169 -10.838 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.552 -8.809 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.518 -8.115 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.334 -8.622 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.581 -9.343 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 39 105.678 -11.096 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.464 -10.714 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 39 102.998 -12.144 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.076 -11.215 5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 103.964 -13.737 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 104.531 -12.649 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 105.406 -12.881 5.654 1.00 0.00 H new ATOM 616 N ALA A 40 107.443 -8.847 2.707 1.00 0.00 N ATOM 617 CA ALA A 40 107.838 -8.288 1.381 1.00 0.00 C ATOM 618 C ALA A 40 108.160 -9.432 0.416 1.00 0.00 C ATOM 619 O ALA A 40 108.266 -9.237 -0.778 1.00 0.00 O ATOM 620 CB ALA A 40 109.073 -7.399 1.540 1.00 0.00 C ATOM 0 H ALA A 40 108.029 -8.567 3.493 1.00 0.00 H new ATOM 0 HA ALA A 40 107.013 -7.696 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.357 -6.994 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.846 -6.580 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.897 -7.989 1.942 1.00 0.00 H new ATOM 626 N ALA A 41 108.316 -10.626 0.921 1.00 0.00 N ATOM 627 CA ALA A 41 108.627 -11.776 0.028 1.00 0.00 C ATOM 628 C ALA A 41 107.392 -12.110 -0.805 1.00 0.00 C ATOM 629 O ALA A 41 107.487 -12.485 -1.957 1.00 0.00 O ATOM 630 CB ALA A 41 109.016 -12.990 0.874 1.00 0.00 C ATOM 0 H ALA A 41 108.241 -10.853 1.913 1.00 0.00 H new ATOM 0 HA ALA A 41 109.456 -11.516 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.244 -13.832 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 41 109.894 -12.749 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.188 -13.255 1.532 1.00 0.00 H new ATOM 636 N LEU A 42 106.231 -11.971 -0.230 1.00 0.00 N ATOM 637 CA LEU A 42 104.983 -12.274 -0.982 1.00 0.00 C ATOM 638 C LEU A 42 104.503 -11.005 -1.689 1.00 0.00 C ATOM 639 O LEU A 42 104.113 -11.033 -2.840 1.00 0.00 O ATOM 640 CB LEU A 42 103.905 -12.758 -0.009 1.00 0.00 C ATOM 641 CG LEU A 42 104.230 -14.181 0.448 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.978 -14.307 1.952 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.338 -15.172 -0.303 1.00 0.00 C ATOM 0 H LEU A 42 106.092 -11.660 0.731 1.00 0.00 H new ATOM 0 HA LEU A 42 105.178 -13.053 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.852 -12.092 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.928 -12.734 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 42 105.277 -14.400 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.210 -15.322 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.613 -13.601 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.932 -14.088 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.568 -16.187 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.292 -14.952 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.518 -15.084 -1.374 1.00 0.00 H new ATOM 655 N LEU A 43 104.530 -9.891 -1.010 1.00 0.00 N ATOM 656 CA LEU A 43 104.078 -8.619 -1.641 1.00 0.00 C ATOM 657 C LEU A 43 104.966 -8.308 -2.841 1.00 0.00 C ATOM 658 O LEU A 43 104.497 -8.131 -3.943 1.00 0.00 O ATOM 659 CB LEU A 43 104.171 -7.483 -0.622 1.00 0.00 C ATOM 660 CG LEU A 43 103.319 -7.829 0.599 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.138 -6.585 1.470 1.00 0.00 C ATOM 662 CD2 LEU A 43 101.947 -8.332 0.138 1.00 0.00 C ATOM 0 H LEU A 43 104.846 -9.807 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 43 103.044 -8.721 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.208 -7.330 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.826 -6.550 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 43 103.818 -8.606 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.530 -6.835 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.113 -6.227 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.641 -5.805 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.339 -8.579 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.451 -7.554 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.074 -9.221 -0.480 1.00 0.00 H new ATOM 674 N TYR A 44 106.246 -8.251 -2.640 1.00 0.00 N ATOM 675 CA TYR A 44 107.156 -7.964 -3.780 1.00 0.00 C ATOM 676 C TYR A 44 106.778 -8.877 -4.948 1.00 0.00 C ATOM 677 O TYR A 44 106.368 -8.423 -5.996 1.00 0.00 O ATOM 678 CB TYR A 44 108.602 -8.238 -3.352 1.00 0.00 C ATOM 679 CG TYR A 44 109.569 -7.835 -4.448 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.103 -7.318 -5.667 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.944 -7.994 -4.243 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.009 -6.963 -6.670 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.848 -7.635 -5.249 1.00 0.00 C ATOM 684 CZ TYR A 44 111.382 -7.120 -6.462 1.00 0.00 C ATOM 685 OH TYR A 44 112.275 -6.769 -7.454 1.00 0.00 O ATOM 0 H TYR A 44 106.704 -8.390 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 44 107.065 -6.921 -4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.828 -7.686 -2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.725 -9.297 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.043 -7.194 -5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 44 111.308 -8.394 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 44 109.648 -6.567 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.909 -7.756 -5.088 1.00 0.00 H new ATOM 0 HH TYR A 44 112.894 -7.512 -7.615 1.00 0.00 H new ATOM 695 N LYS A 45 106.911 -10.162 -4.771 1.00 0.00 N ATOM 696 CA LYS A 45 106.563 -11.111 -5.865 1.00 0.00 C ATOM 697 C LYS A 45 105.188 -10.768 -6.445 1.00 0.00 C ATOM 698 O LYS A 45 104.922 -11.000 -7.607 1.00 0.00 O ATOM 699 CB LYS A 45 106.532 -12.536 -5.307 1.00 0.00 C ATOM 700 CG LYS A 45 107.629 -13.371 -5.973 1.00 0.00 C ATOM 701 CD LYS A 45 107.077 -14.757 -6.313 1.00 0.00 C ATOM 702 CE LYS A 45 107.853 -15.821 -5.534 1.00 0.00 C ATOM 703 NZ LYS A 45 107.846 -17.100 -6.300 1.00 0.00 N ATOM 0 H LYS A 45 107.247 -10.597 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 45 107.312 -11.035 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.679 -12.518 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.557 -12.987 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.980 -12.875 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.487 -13.462 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 45 106.017 -14.809 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.162 -14.941 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.878 -15.490 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 45 107.402 -15.970 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.373 -17.824 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 106.865 -17.417 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.295 -16.952 -7.226 1.00 0.00 H new ATOM 717 N LYS A 46 104.302 -10.234 -5.647 1.00 0.00 N ATOM 718 CA LYS A 46 102.944 -9.902 -6.164 1.00 0.00 C ATOM 719 C LYS A 46 102.960 -8.557 -6.902 1.00 0.00 C ATOM 720 O LYS A 46 102.913 -8.504 -8.111 1.00 0.00 O ATOM 721 CB LYS A 46 101.965 -9.826 -4.994 1.00 0.00 C ATOM 722 CG LYS A 46 101.761 -11.224 -4.406 1.00 0.00 C ATOM 723 CD LYS A 46 100.325 -11.681 -4.666 1.00 0.00 C ATOM 724 CE LYS A 46 99.880 -12.623 -3.545 1.00 0.00 C ATOM 725 NZ LYS A 46 98.726 -12.021 -2.819 1.00 0.00 N ATOM 0 H LYS A 46 104.460 -10.014 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 46 102.634 -10.680 -6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.348 -9.151 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.011 -9.419 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.464 -11.925 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.962 -11.213 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.661 -10.818 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.262 -12.188 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.598 -13.591 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.705 -12.800 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 98.423 -12.661 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 99.011 -11.108 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 97.938 -11.874 -3.481 1.00 0.00 H new ATOM 739 N ILE A 47 102.995 -7.476 -6.176 1.00 0.00 N ATOM 740 CA ILE A 47 102.982 -6.126 -6.817 1.00 0.00 C ATOM 741 C ILE A 47 103.828 -6.105 -8.098 1.00 0.00 C ATOM 742 O ILE A 47 103.592 -5.306 -8.982 1.00 0.00 O ATOM 743 CB ILE A 47 103.534 -5.082 -5.846 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.853 -5.245 -4.466 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.281 -3.689 -6.433 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.064 -3.984 -4.073 1.00 0.00 C ATOM 0 H ILE A 47 103.032 -7.467 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 47 101.949 -5.894 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 47 104.607 -5.216 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.181 -6.103 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.609 -5.453 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.669 -2.931 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.784 -3.603 -7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.210 -3.540 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.599 -4.135 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.741 -3.131 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.292 -3.791 -4.818 1.00 0.00 H new ATOM 758 N MET A 48 104.817 -6.951 -8.204 1.00 0.00 N ATOM 759 CA MET A 48 105.673 -6.940 -9.432 1.00 0.00 C ATOM 760 C MET A 48 104.798 -6.783 -10.682 1.00 0.00 C ATOM 761 O MET A 48 105.109 -6.014 -11.570 1.00 0.00 O ATOM 762 CB MET A 48 106.462 -8.254 -9.531 1.00 0.00 C ATOM 763 CG MET A 48 107.429 -8.383 -8.347 1.00 0.00 C ATOM 764 SD MET A 48 109.117 -8.628 -8.963 1.00 0.00 S ATOM 765 CE MET A 48 109.744 -9.592 -7.560 1.00 0.00 C ATOM 0 H MET A 48 105.070 -7.645 -7.501 1.00 0.00 H new ATOM 0 HA MET A 48 106.366 -6.101 -9.367 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.774 -9.100 -9.542 1.00 0.00 H new ATOM 0 HB3 MET A 48 107.018 -8.283 -10.468 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.384 -7.487 -7.728 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.136 -9.222 -7.715 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.735 -9.231 -7.285 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.069 -9.481 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.805 -10.644 -7.840 1.00 0.00 H new ATOM 775 N GLU A 49 103.715 -7.508 -10.770 1.00 0.00 N ATOM 776 CA GLU A 49 102.842 -7.394 -11.976 1.00 0.00 C ATOM 777 C GLU A 49 101.464 -6.847 -11.586 1.00 0.00 C ATOM 778 O GLU A 49 100.589 -6.709 -12.418 1.00 0.00 O ATOM 779 CB GLU A 49 102.677 -8.776 -12.612 1.00 0.00 C ATOM 780 CG GLU A 49 103.559 -8.871 -13.860 1.00 0.00 C ATOM 781 CD GLU A 49 102.687 -8.762 -15.112 1.00 0.00 C ATOM 782 OE1 GLU A 49 101.901 -9.667 -15.345 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.819 -7.777 -15.820 1.00 0.00 O ATOM 0 H GLU A 49 103.398 -8.171 -10.063 1.00 0.00 H new ATOM 0 HA GLU A 49 103.306 -6.710 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.953 -9.552 -11.898 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.633 -8.944 -12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 104.304 -8.076 -13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 49 104.102 -9.816 -13.863 1.00 0.00 H new ATOM 790 N LYS A 50 101.257 -6.533 -10.334 1.00 0.00 N ATOM 791 CA LYS A 50 99.927 -5.996 -9.916 1.00 0.00 C ATOM 792 C LYS A 50 99.883 -4.490 -10.170 1.00 0.00 C ATOM 793 O LYS A 50 98.838 -3.925 -10.428 1.00 0.00 O ATOM 794 CB LYS A 50 99.708 -6.263 -8.425 1.00 0.00 C ATOM 795 CG LYS A 50 98.242 -5.990 -8.066 1.00 0.00 C ATOM 796 CD LYS A 50 97.940 -6.507 -6.656 1.00 0.00 C ATOM 797 CE LYS A 50 98.544 -7.900 -6.468 1.00 0.00 C ATOM 798 NZ LYS A 50 98.144 -8.772 -7.610 1.00 0.00 N ATOM 0 H LYS A 50 101.946 -6.624 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 50 99.144 -6.489 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.965 -7.295 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.364 -5.627 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.039 -4.920 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.586 -6.476 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 50 98.348 -5.822 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.862 -6.545 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.630 -7.833 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.202 -8.333 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.922 -9.725 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.305 -8.371 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.925 -8.829 -8.294 1.00 0.00 H new ATOM 812 N TYR A 51 101.007 -3.833 -10.100 1.00 0.00 N ATOM 813 CA TYR A 51 101.026 -2.363 -10.337 1.00 0.00 C ATOM 814 C TYR A 51 102.165 -2.012 -11.296 1.00 0.00 C ATOM 815 O TYR A 51 102.498 -0.856 -11.472 1.00 0.00 O ATOM 816 CB TYR A 51 101.258 -1.631 -9.013 1.00 0.00 C ATOM 817 CG TYR A 51 100.039 -1.755 -8.130 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.831 -2.920 -7.384 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.120 -0.701 -8.051 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.709 -3.032 -6.561 1.00 0.00 C ATOM 821 CE2 TYR A 51 97.997 -0.813 -7.228 1.00 0.00 C ATOM 822 CZ TYR A 51 97.789 -1.979 -6.481 1.00 0.00 C ATOM 823 OH TYR A 51 96.681 -2.090 -5.668 1.00 0.00 O ATOM 0 H TYR A 51 101.913 -4.251 -9.889 1.00 0.00 H new ATOM 0 HA TYR A 51 100.071 -2.061 -10.767 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.128 -2.048 -8.506 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.473 -0.580 -9.203 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.539 -3.733 -7.445 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.280 0.199 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.550 -3.932 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.289 0.000 -7.168 1.00 0.00 H new ATOM 0 HH TYR A 51 96.147 -1.270 -5.729 1.00 0.00 H new ATOM 833 N SER A 52 102.779 -2.991 -11.907 1.00 0.00 N ATOM 834 CA SER A 52 103.906 -2.682 -12.833 1.00 0.00 C ATOM 835 C SER A 52 104.827 -1.685 -12.133 1.00 0.00 C ATOM 836 O SER A 52 105.009 -0.567 -12.575 1.00 0.00 O ATOM 837 CB SER A 52 103.360 -2.067 -14.120 1.00 0.00 C ATOM 838 OG SER A 52 104.421 -1.908 -15.053 1.00 0.00 O ATOM 0 H SER A 52 102.552 -3.980 -11.806 1.00 0.00 H new ATOM 0 HA SER A 52 104.452 -3.590 -13.087 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.583 -2.706 -14.541 1.00 0.00 H new ATOM 0 HB3 SER A 52 102.899 -1.102 -13.908 1.00 0.00 H new ATOM 0 HG SER A 52 104.073 -1.515 -15.880 1.00 0.00 H new ATOM 844 N VAL A 53 105.380 -2.075 -11.020 1.00 0.00 N ATOM 845 CA VAL A 53 106.260 -1.154 -10.248 1.00 0.00 C ATOM 846 C VAL A 53 107.420 -0.644 -11.101 1.00 0.00 C ATOM 847 O VAL A 53 108.217 -1.410 -11.608 1.00 0.00 O ATOM 848 CB VAL A 53 106.822 -1.896 -9.037 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.691 -2.185 -8.054 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.454 -3.214 -9.491 1.00 0.00 C ATOM 0 H VAL A 53 105.259 -3.000 -10.608 1.00 0.00 H new ATOM 0 HA VAL A 53 105.664 -0.298 -9.932 1.00 0.00 H new ATOM 0 HB VAL A 53 107.580 -1.281 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.088 -2.715 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.241 -1.246 -7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.935 -2.801 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.855 -3.742 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.698 -3.832 -9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.260 -3.007 -10.195 1.00 0.00 H new ATOM 860 N THR A 54 107.548 0.651 -11.225 1.00 0.00 N ATOM 861 CA THR A 54 108.686 1.207 -12.002 1.00 0.00 C ATOM 862 C THR A 54 109.961 0.600 -11.421 1.00 0.00 C ATOM 863 O THR A 54 110.912 0.310 -12.119 1.00 0.00 O ATOM 864 CB THR A 54 108.709 2.734 -11.856 1.00 0.00 C ATOM 865 OG1 THR A 54 107.754 3.303 -12.742 1.00 0.00 O ATOM 866 CG2 THR A 54 110.102 3.271 -12.193 1.00 0.00 C ATOM 0 H THR A 54 106.915 1.342 -10.822 1.00 0.00 H new ATOM 0 HA THR A 54 108.597 0.970 -13.062 1.00 0.00 H new ATOM 0 HB THR A 54 108.464 3.001 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.764 4.279 -12.651 1.00 0.00 H new ATOM 0 HG21 THR A 54 110.109 4.356 -12.087 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.834 2.835 -11.513 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.356 3.005 -13.219 1.00 0.00 H new ATOM 874 N PHE A 55 109.955 0.380 -10.134 1.00 0.00 N ATOM 875 CA PHE A 55 111.124 -0.242 -9.459 1.00 0.00 C ATOM 876 C PHE A 55 110.687 -0.725 -8.081 1.00 0.00 C ATOM 877 O PHE A 55 110.013 -0.026 -7.348 1.00 0.00 O ATOM 878 CB PHE A 55 112.272 0.762 -9.280 1.00 0.00 C ATOM 879 CG PHE A 55 113.280 0.178 -8.305 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.320 -0.635 -8.774 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.156 0.427 -6.927 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.232 -1.195 -7.873 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.075 -0.134 -6.026 1.00 0.00 C ATOM 884 CZ PHE A 55 115.111 -0.944 -6.501 1.00 0.00 C ATOM 0 H PHE A 55 109.177 0.609 -9.515 1.00 0.00 H new ATOM 0 HA PHE A 55 111.479 -1.066 -10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.748 0.967 -10.239 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.889 1.711 -8.905 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.418 -0.830 -9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.353 1.050 -6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 55 116.032 -1.823 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.982 0.060 -4.968 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.818 -1.376 -5.809 1.00 0.00 H new ATOM 894 N ILE A 56 111.088 -1.901 -7.716 1.00 0.00 N ATOM 895 CA ILE A 56 110.730 -2.421 -6.378 1.00 0.00 C ATOM 896 C ILE A 56 111.917 -3.219 -5.859 1.00 0.00 C ATOM 897 O ILE A 56 112.600 -3.884 -6.613 1.00 0.00 O ATOM 898 CB ILE A 56 109.491 -3.313 -6.472 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.357 -4.142 -5.189 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.626 -4.248 -7.674 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.881 -4.257 -4.802 1.00 0.00 C ATOM 0 H ILE A 56 111.652 -2.528 -8.290 1.00 0.00 H new ATOM 0 HA ILE A 56 110.500 -1.600 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 56 108.604 -2.691 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.782 -5.134 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.919 -3.674 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 56 108.743 -4.884 -7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.718 -3.658 -8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.513 -4.870 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.789 -4.847 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.470 -3.261 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.331 -4.745 -5.607 1.00 0.00 H new ATOM 913 N SER A 57 112.194 -3.151 -4.592 1.00 0.00 N ATOM 914 CA SER A 57 113.370 -3.908 -4.081 1.00 0.00 C ATOM 915 C SER A 57 113.263 -4.143 -2.575 1.00 0.00 C ATOM 916 O SER A 57 112.834 -3.287 -1.827 1.00 0.00 O ATOM 917 CB SER A 57 114.641 -3.114 -4.372 1.00 0.00 C ATOM 918 OG SER A 57 115.764 -3.827 -3.873 1.00 0.00 O ATOM 0 H SER A 57 111.671 -2.617 -3.898 1.00 0.00 H new ATOM 0 HA SER A 57 113.400 -4.876 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.745 -2.953 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.584 -2.130 -3.906 1.00 0.00 H new ATOM 0 HG SER A 57 115.812 -3.722 -2.900 1.00 0.00 H new ATOM 924 N ARG A 58 113.677 -5.296 -2.129 1.00 0.00 N ATOM 925 CA ARG A 58 113.633 -5.598 -0.673 1.00 0.00 C ATOM 926 C ARG A 58 115.012 -5.304 -0.075 1.00 0.00 C ATOM 927 O ARG A 58 116.023 -5.727 -0.600 1.00 0.00 O ATOM 928 CB ARG A 58 113.293 -7.076 -0.467 1.00 0.00 C ATOM 929 CG ARG A 58 111.842 -7.212 -0.003 1.00 0.00 C ATOM 930 CD ARG A 58 111.402 -8.673 -0.125 1.00 0.00 C ATOM 931 NE ARG A 58 112.565 -9.567 0.135 1.00 0.00 N ATOM 932 CZ ARG A 58 112.804 -10.578 -0.658 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.571 -10.422 -1.702 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.274 -11.742 -0.405 1.00 0.00 N ATOM 0 H ARG A 58 114.046 -6.045 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 58 112.874 -4.986 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.441 -7.626 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 58 113.964 -7.514 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.746 -6.877 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.195 -6.575 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 58 110.602 -8.883 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.001 -8.861 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 58 113.175 -9.390 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 58 113.984 -9.511 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.757 -11.211 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 58 111.674 -11.863 0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.460 -12.532 -1.023 1.00 0.00 H new ATOM 948 N HIS A 59 115.068 -4.578 1.008 1.00 0.00 N ATOM 949 CA HIS A 59 116.394 -4.262 1.615 1.00 0.00 C ATOM 950 C HIS A 59 116.353 -4.517 3.122 1.00 0.00 C ATOM 951 O HIS A 59 115.301 -4.660 3.713 1.00 0.00 O ATOM 952 CB HIS A 59 116.731 -2.791 1.365 1.00 0.00 C ATOM 953 CG HIS A 59 116.635 -2.496 -0.105 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.757 -2.380 -0.911 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.557 -2.289 -0.932 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.333 -2.116 -2.160 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.002 -2.049 -2.229 1.00 0.00 N ATOM 0 H HIS A 59 114.260 -4.192 1.496 1.00 0.00 H new ATOM 0 HA HIS A 59 117.153 -4.899 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 59 116.046 -2.151 1.920 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.736 -2.571 1.726 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.727 -2.477 -0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.522 -2.309 -0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.991 -1.975 -3.005 1.00 0.00 H new ATOM 965 N ASN A 60 117.496 -4.565 3.750 1.00 0.00 N ATOM 966 CA ASN A 60 117.537 -4.798 5.221 1.00 0.00 C ATOM 967 C ASN A 60 117.840 -3.473 5.923 1.00 0.00 C ATOM 968 O ASN A 60 118.932 -2.949 5.832 1.00 0.00 O ATOM 969 CB ASN A 60 118.634 -5.814 5.550 1.00 0.00 C ATOM 970 CG ASN A 60 118.182 -7.211 5.120 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.097 -7.718 5.636 1.00 0.00 O flip ATOM 972 ND2 ASN A 60 118.823 -7.846 4.306 1.00 0.00 N flip ATOM 0 H ASN A 60 118.407 -4.452 3.305 1.00 0.00 H new ATOM 0 HA ASN A 60 116.577 -5.186 5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.558 -5.546 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.847 -5.802 6.619 1.00 0.00 H new ATOM 0 HD21 ASN A 60 119.672 -7.449 3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.512 -8.776 4.026 1.00 0.00 H new ATOM 979 N SER A 61 116.879 -2.922 6.612 1.00 0.00 N ATOM 980 CA SER A 61 117.117 -1.625 7.305 1.00 0.00 C ATOM 981 C SER A 61 117.735 -1.872 8.681 1.00 0.00 C ATOM 982 O SER A 61 118.909 -1.638 8.893 1.00 0.00 O ATOM 983 CB SER A 61 115.791 -0.882 7.463 1.00 0.00 C ATOM 984 OG SER A 61 115.785 -0.190 8.706 1.00 0.00 O ATOM 0 H SER A 61 115.943 -3.312 6.725 1.00 0.00 H new ATOM 0 HA SER A 61 117.804 -1.023 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.655 -0.179 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.960 -1.586 7.421 1.00 0.00 H new ATOM 0 HG SER A 61 114.866 -0.124 9.039 1.00 0.00 H new ATOM 990 N TYR A 62 116.959 -2.333 9.624 1.00 0.00 N ATOM 991 CA TYR A 62 117.519 -2.579 10.983 1.00 0.00 C ATOM 992 C TYR A 62 116.863 -3.813 11.610 1.00 0.00 C ATOM 993 O TYR A 62 117.533 -4.745 12.009 1.00 0.00 O ATOM 994 CB TYR A 62 117.253 -1.358 11.867 1.00 0.00 C ATOM 995 CG TYR A 62 118.350 -0.340 11.663 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.337 0.490 10.534 1.00 0.00 C ATOM 997 CD2 TYR A 62 119.381 -0.225 12.603 1.00 0.00 C ATOM 998 CE1 TYR A 62 119.354 1.433 10.347 1.00 0.00 C ATOM 999 CE2 TYR A 62 120.397 0.718 12.416 1.00 0.00 C ATOM 1000 CZ TYR A 62 120.384 1.547 11.288 1.00 0.00 C ATOM 1001 OH TYR A 62 121.386 2.477 11.104 1.00 0.00 O ATOM 0 H TYR A 62 115.968 -2.549 9.513 1.00 0.00 H new ATOM 0 HA TYR A 62 118.592 -2.751 10.901 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.286 -0.921 11.620 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.209 -1.657 12.914 1.00 0.00 H new ATOM 0 HD1 TYR A 62 117.542 0.402 9.808 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.392 -0.865 13.473 1.00 0.00 H new ATOM 0 HE1 TYR A 62 119.344 2.073 9.477 1.00 0.00 H new ATOM 0 HE2 TYR A 62 121.192 0.807 13.142 1.00 0.00 H new ATOM 0 HH TYR A 62 121.112 3.122 10.419 1.00 0.00 H new ATOM 1011 N ASN A 63 115.563 -3.824 11.713 1.00 0.00 N ATOM 1012 CA ASN A 63 114.879 -4.998 12.331 1.00 0.00 C ATOM 1013 C ASN A 63 114.209 -5.847 11.249 1.00 0.00 C ATOM 1014 O ASN A 63 114.260 -7.061 11.283 1.00 0.00 O ATOM 1015 CB ASN A 63 113.818 -4.507 13.317 1.00 0.00 C ATOM 1016 CG ASN A 63 114.465 -3.582 14.348 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.632 -2.403 14.104 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.837 -4.068 15.501 1.00 0.00 N ATOM 0 H ASN A 63 114.946 -3.075 11.398 1.00 0.00 H new ATOM 0 HA ASN A 63 115.618 -5.605 12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.028 -3.978 12.784 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.351 -5.356 13.817 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.267 -3.458 16.196 1.00 0.00 H new ATOM 0 HD22 ASN A 63 114.697 -5.057 15.707 1.00 0.00 H new ATOM 1025 N HIS A 64 113.566 -5.227 10.300 1.00 0.00 N ATOM 1026 CA HIS A 64 112.882 -6.014 9.235 1.00 0.00 C ATOM 1027 C HIS A 64 113.351 -5.548 7.857 1.00 0.00 C ATOM 1028 O HIS A 64 114.363 -4.887 7.726 1.00 0.00 O ATOM 1029 CB HIS A 64 111.374 -5.821 9.374 1.00 0.00 C ATOM 1030 CG HIS A 64 110.961 -6.289 10.743 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.333 -5.456 11.654 1.00 0.00 N ATOM 1032 CD2 HIS A 64 111.105 -7.498 11.375 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.127 -6.170 12.777 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.579 -7.420 12.660 1.00 0.00 N ATOM 0 H HIS A 64 113.484 -4.214 10.215 1.00 0.00 H new ATOM 0 HA HIS A 64 113.127 -7.071 9.341 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.111 -4.772 9.236 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.847 -6.385 8.605 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.558 -8.377 10.941 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.653 -5.778 13.665 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.546 -8.159 13.362 1.00 0.00 H new ATOM 1042 N ASN A 65 112.635 -5.901 6.826 1.00 0.00 N ATOM 1043 CA ASN A 65 113.057 -5.490 5.457 1.00 0.00 C ATOM 1044 C ASN A 65 112.047 -4.505 4.866 1.00 0.00 C ATOM 1045 O ASN A 65 110.855 -4.612 5.079 1.00 0.00 O ATOM 1046 CB ASN A 65 113.140 -6.726 4.562 1.00 0.00 C ATOM 1047 CG ASN A 65 114.096 -7.743 5.186 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.419 -7.654 6.353 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.565 -8.713 4.451 1.00 0.00 N ATOM 0 H ASN A 65 111.779 -6.454 6.871 1.00 0.00 H new ATOM 0 HA ASN A 65 114.032 -5.007 5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.151 -7.167 4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.488 -6.446 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.203 -9.397 4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.293 -8.787 3.471 1.00 0.00 H new ATOM 1056 N ILE A 66 112.520 -3.552 4.109 1.00 0.00 N ATOM 1057 CA ILE A 66 111.600 -2.563 3.482 1.00 0.00 C ATOM 1058 C ILE A 66 111.304 -3.017 2.052 1.00 0.00 C ATOM 1059 O ILE A 66 112.014 -3.830 1.495 1.00 0.00 O ATOM 1060 CB ILE A 66 112.267 -1.185 3.462 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.223 -0.580 4.866 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.527 -0.265 2.489 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.133 -1.382 5.799 1.00 0.00 C ATOM 0 H ILE A 66 113.509 -3.416 3.898 1.00 0.00 H new ATOM 0 HA ILE A 66 110.672 -2.497 4.051 1.00 0.00 H new ATOM 0 HB ILE A 66 113.303 -1.291 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.544 0.461 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.201 -0.587 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.006 0.714 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.558 -0.694 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.490 -0.158 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.101 -0.950 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.792 -2.416 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.156 -1.352 5.424 1.00 0.00 H new ATOM 1075 N LEU A 67 110.264 -2.513 1.451 1.00 0.00 N ATOM 1076 CA LEU A 67 109.945 -2.943 0.061 1.00 0.00 C ATOM 1077 C LEU A 67 109.505 -1.741 -0.776 1.00 0.00 C ATOM 1078 O LEU A 67 108.388 -1.276 -0.668 1.00 0.00 O ATOM 1079 CB LEU A 67 108.816 -3.979 0.100 1.00 0.00 C ATOM 1080 CG LEU A 67 108.350 -4.296 -1.325 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.185 -5.444 -1.893 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.877 -4.706 -1.297 1.00 0.00 C ATOM 0 H LEU A 67 109.626 -1.828 1.857 1.00 0.00 H new ATOM 0 HA LEU A 67 110.835 -3.381 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.163 -4.889 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.981 -3.598 0.689 1.00 0.00 H new ATOM 0 HG LEU A 67 108.473 -3.413 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.853 -5.669 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.236 -5.155 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.062 -6.328 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.543 -4.932 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.757 -5.589 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.280 -3.889 -0.892 1.00 0.00 H new ATOM 1094 N PHE A 68 110.360 -1.255 -1.633 1.00 0.00 N ATOM 1095 CA PHE A 68 109.966 -0.106 -2.494 1.00 0.00 C ATOM 1096 C PHE A 68 109.126 -0.632 -3.643 1.00 0.00 C ATOM 1097 O PHE A 68 109.350 -1.722 -4.123 1.00 0.00 O ATOM 1098 CB PHE A 68 111.192 0.544 -3.134 1.00 0.00 C ATOM 1099 CG PHE A 68 112.109 1.137 -2.106 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.624 2.034 -1.150 1.00 0.00 C ATOM 1101 CD2 PHE A 68 113.463 0.805 -2.134 1.00 0.00 C ATOM 1102 CE1 PHE A 68 112.498 2.595 -0.218 1.00 0.00 C ATOM 1103 CE2 PHE A 68 114.338 1.363 -1.212 1.00 0.00 C ATOM 1104 CZ PHE A 68 113.860 2.261 -0.248 1.00 0.00 C ATOM 0 H PHE A 68 111.309 -1.602 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 68 109.433 0.614 -1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 68 111.734 -0.199 -3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 68 110.871 1.322 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.575 2.292 -1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.832 0.112 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 68 112.126 3.285 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 68 115.386 1.105 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 68 114.539 2.695 0.471 1.00 0.00 H new ATOM 1114 N PHE A 69 108.200 0.142 -4.124 1.00 0.00 N ATOM 1115 CA PHE A 69 107.402 -0.311 -5.289 1.00 0.00 C ATOM 1116 C PHE A 69 106.619 0.870 -5.859 1.00 0.00 C ATOM 1117 O PHE A 69 105.618 1.306 -5.318 1.00 0.00 O ATOM 1118 CB PHE A 69 106.491 -1.481 -4.903 1.00 0.00 C ATOM 1119 CG PHE A 69 105.240 -1.017 -4.204 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.261 -0.770 -2.828 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.048 -0.885 -4.921 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.087 -0.384 -2.171 1.00 0.00 C ATOM 1123 CE2 PHE A 69 102.874 -0.508 -4.267 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.892 -0.256 -2.891 1.00 0.00 C ATOM 0 H PHE A 69 107.962 1.065 -3.762 1.00 0.00 H new ATOM 0 HA PHE A 69 108.069 -0.680 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.220 -2.040 -5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.036 -2.166 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.181 -0.877 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.035 -1.075 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.102 -0.185 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 69 101.953 -0.411 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.985 0.037 -2.384 1.00 0.00 H new ATOM 1134 N LEU A 70 107.104 1.396 -6.954 1.00 0.00 N ATOM 1135 CA LEU A 70 106.446 2.559 -7.610 1.00 0.00 C ATOM 1136 C LEU A 70 105.257 2.063 -8.426 1.00 0.00 C ATOM 1137 O LEU A 70 104.933 0.894 -8.414 1.00 0.00 O ATOM 1138 CB LEU A 70 107.447 3.227 -8.559 1.00 0.00 C ATOM 1139 CG LEU A 70 107.915 4.564 -7.984 1.00 0.00 C ATOM 1140 CD1 LEU A 70 108.881 4.313 -6.824 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.633 5.356 -9.081 1.00 0.00 C ATOM 0 H LEU A 70 107.943 1.061 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 70 106.112 3.270 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.303 2.571 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 70 106.985 3.385 -9.533 1.00 0.00 H new ATOM 0 HG LEU A 70 107.056 5.129 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.214 5.267 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.375 3.741 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.743 3.752 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 70 108.970 6.311 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.493 4.788 -9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.948 5.533 -9.910 1.00 0.00 H new ATOM 1153 N THR A 71 104.605 2.938 -9.139 1.00 0.00 N ATOM 1154 CA THR A 71 103.447 2.499 -9.963 1.00 0.00 C ATOM 1155 C THR A 71 103.185 3.520 -11.079 1.00 0.00 C ATOM 1156 O THR A 71 103.436 4.697 -10.914 1.00 0.00 O ATOM 1157 CB THR A 71 102.219 2.382 -9.072 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.045 3.605 -8.367 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.409 1.228 -8.079 1.00 0.00 C ATOM 0 H THR A 71 104.823 3.933 -9.186 1.00 0.00 H new ATOM 0 HA THR A 71 103.665 1.531 -10.415 1.00 0.00 H new ATOM 0 HB THR A 71 101.337 2.181 -9.680 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.149 3.629 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.528 1.147 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.548 0.296 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.286 1.420 -7.461 1.00 0.00 H new ATOM 1167 N PRO A 72 102.705 3.025 -12.196 1.00 0.00 N ATOM 1168 CA PRO A 72 102.415 3.853 -13.384 1.00 0.00 C ATOM 1169 C PRO A 72 101.074 4.596 -13.265 1.00 0.00 C ATOM 1170 O PRO A 72 101.037 5.807 -13.184 1.00 0.00 O ATOM 1171 CB PRO A 72 102.359 2.830 -14.521 1.00 0.00 C ATOM 1172 CG PRO A 72 102.046 1.462 -13.868 1.00 0.00 C ATOM 1173 CD PRO A 72 102.415 1.588 -12.378 1.00 0.00 C ATOM 0 HA PRO A 72 103.161 4.634 -13.530 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.591 3.098 -15.246 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.307 2.795 -15.058 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.992 1.209 -13.986 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.620 0.666 -14.343 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.596 1.263 -11.736 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.279 0.973 -12.128 1.00 0.00 H new ATOM 1181 N HIS A 73 99.973 3.888 -13.293 1.00 0.00 N ATOM 1182 CA HIS A 73 98.645 4.575 -13.222 1.00 0.00 C ATOM 1183 C HIS A 73 98.553 5.474 -11.982 1.00 0.00 C ATOM 1184 O HIS A 73 97.669 6.300 -11.879 1.00 0.00 O ATOM 1185 CB HIS A 73 97.507 3.544 -13.213 1.00 0.00 C ATOM 1186 CG HIS A 73 97.779 2.450 -12.215 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.044 2.321 -11.046 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.674 1.408 -12.211 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.505 1.239 -10.393 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.497 0.644 -11.060 1.00 0.00 N ATOM 0 H HIS A 73 99.935 2.871 -13.361 1.00 0.00 H new ATOM 0 HA HIS A 73 98.546 5.204 -14.107 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.566 4.038 -12.970 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.393 3.114 -14.208 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.404 1.211 -12.983 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.120 0.894 -9.445 1.00 0.00 H new ATOM 0 HE2 HIS A 73 99.014 -0.191 -10.785 1.00 0.00 H new ATOM 1198 N ARG A 74 99.452 5.338 -11.047 1.00 0.00 N ATOM 1199 CA ARG A 74 99.395 6.210 -9.838 1.00 0.00 C ATOM 1200 C ARG A 74 98.141 5.885 -9.025 1.00 0.00 C ATOM 1201 O ARG A 74 97.147 5.427 -9.554 1.00 0.00 O ATOM 1202 CB ARG A 74 99.351 7.678 -10.273 1.00 0.00 C ATOM 1203 CG ARG A 74 100.680 8.354 -9.928 1.00 0.00 C ATOM 1204 CD ARG A 74 100.570 9.861 -10.179 1.00 0.00 C ATOM 1205 NE ARG A 74 101.933 10.431 -10.376 1.00 0.00 N ATOM 1206 CZ ARG A 74 102.090 11.722 -10.480 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.063 12.487 -10.733 1.00 0.00 N ATOM 1208 NH2 ARG A 74 103.275 12.250 -10.330 1.00 0.00 N ATOM 0 H ARG A 74 100.219 4.666 -11.066 1.00 0.00 H new ATOM 0 HA ARG A 74 100.279 6.034 -9.224 1.00 0.00 H new ATOM 0 HB2 ARG A 74 99.164 7.745 -11.345 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.529 8.192 -9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.935 8.166 -8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 74 101.482 7.932 -10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.954 10.050 -11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.079 10.346 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 74 102.742 9.812 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.137 12.076 -10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 74 101.187 13.496 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 74 104.078 11.653 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 74 103.398 13.259 -10.411 1.00 0.00 H new ATOM 1222 N HIS A 75 98.180 6.120 -7.741 1.00 0.00 N ATOM 1223 CA HIS A 75 96.989 5.821 -6.892 1.00 0.00 C ATOM 1224 C HIS A 75 97.081 6.605 -5.588 1.00 0.00 C ATOM 1225 O HIS A 75 97.884 7.504 -5.439 1.00 0.00 O ATOM 1226 CB HIS A 75 96.932 4.325 -6.552 1.00 0.00 C ATOM 1227 CG HIS A 75 98.081 3.600 -7.190 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.073 3.230 -8.521 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.281 3.173 -6.691 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.239 2.610 -8.771 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.008 2.548 -7.688 1.00 0.00 N ATOM 0 H HIS A 75 98.983 6.505 -7.243 1.00 0.00 H new ATOM 0 HA HIS A 75 96.094 6.104 -7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.963 4.190 -5.471 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.989 3.902 -6.899 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.321 3.397 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.611 3.304 -5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.518 2.210 -9.735 1.00 0.00 H new ATOM 1239 N ARG A 76 96.268 6.251 -4.632 1.00 0.00 N ATOM 1240 CA ARG A 76 96.303 6.946 -3.320 1.00 0.00 C ATOM 1241 C ARG A 76 96.770 5.951 -2.259 1.00 0.00 C ATOM 1242 O ARG A 76 96.444 4.782 -2.309 1.00 0.00 O ATOM 1243 CB ARG A 76 94.902 7.451 -2.967 1.00 0.00 C ATOM 1244 CG ARG A 76 94.803 8.945 -3.281 1.00 0.00 C ATOM 1245 CD ARG A 76 94.153 9.672 -2.103 1.00 0.00 C ATOM 1246 NE ARG A 76 92.767 9.165 -1.907 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.763 9.999 -1.886 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.726 10.997 -2.724 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.795 9.834 -1.026 1.00 0.00 N ATOM 0 H ARG A 76 95.577 5.505 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 76 96.985 7.795 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.152 6.899 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.696 7.276 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.795 9.354 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.215 9.099 -4.186 1.00 0.00 H new ATOM 0 HD2 ARG A 76 94.740 9.516 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 76 94.135 10.746 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 76 92.602 8.165 -1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.482 11.126 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.941 11.648 -2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.823 9.053 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.011 10.486 -1.010 1.00 0.00 H new ATOM 1263 N VAL A 77 97.533 6.396 -1.302 1.00 0.00 N ATOM 1264 CA VAL A 77 98.014 5.458 -0.251 1.00 0.00 C ATOM 1265 C VAL A 77 96.813 4.795 0.428 1.00 0.00 C ATOM 1266 O VAL A 77 96.945 3.792 1.100 1.00 0.00 O ATOM 1267 CB VAL A 77 98.848 6.229 0.776 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.004 5.396 2.051 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.230 6.510 0.182 1.00 0.00 C ATOM 0 H VAL A 77 97.843 7.362 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 77 98.636 4.684 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 77 98.349 7.166 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.598 5.950 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.020 5.186 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.505 4.457 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.832 7.059 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.721 5.567 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.122 7.104 -0.725 1.00 0.00 H new ATOM 1279 N SER A 78 95.639 5.339 0.252 1.00 0.00 N ATOM 1280 CA SER A 78 94.435 4.727 0.881 1.00 0.00 C ATOM 1281 C SER A 78 94.008 3.503 0.065 1.00 0.00 C ATOM 1282 O SER A 78 93.602 2.494 0.609 1.00 0.00 O ATOM 1283 CB SER A 78 93.297 5.748 0.908 1.00 0.00 C ATOM 1284 OG SER A 78 93.298 6.486 -0.307 1.00 0.00 O ATOM 0 H SER A 78 95.462 6.179 -0.299 1.00 0.00 H new ATOM 0 HA SER A 78 94.669 4.423 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.341 5.241 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.418 6.422 1.756 1.00 0.00 H new ATOM 0 HG SER A 78 92.395 6.489 -0.688 1.00 0.00 H new ATOM 1290 N ALA A 79 94.103 3.579 -1.236 1.00 0.00 N ATOM 1291 CA ALA A 79 93.708 2.415 -2.084 1.00 0.00 C ATOM 1292 C ALA A 79 94.800 1.346 -2.007 1.00 0.00 C ATOM 1293 O ALA A 79 94.535 0.192 -1.733 1.00 0.00 O ATOM 1294 CB ALA A 79 93.541 2.870 -3.536 1.00 0.00 C ATOM 0 H ALA A 79 94.437 4.396 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 79 92.764 2.004 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.253 2.019 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.768 3.636 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.484 3.279 -3.900 1.00 0.00 H new ATOM 1300 N ILE A 80 96.027 1.723 -2.237 1.00 0.00 N ATOM 1301 CA ILE A 80 97.137 0.738 -2.163 1.00 0.00 C ATOM 1302 C ILE A 80 97.153 0.133 -0.761 1.00 0.00 C ATOM 1303 O ILE A 80 97.399 -1.043 -0.579 1.00 0.00 O ATOM 1304 CB ILE A 80 98.469 1.444 -2.428 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.484 2.005 -3.858 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.622 0.451 -2.250 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.778 0.883 -4.857 1.00 0.00 C ATOM 0 H ILE A 80 96.308 2.675 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 80 96.994 -0.043 -2.909 1.00 0.00 H new ATOM 0 HB ILE A 80 98.588 2.265 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.523 2.465 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.239 2.786 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.569 0.956 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.614 0.063 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.504 -0.374 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.787 1.289 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.750 0.443 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.007 0.117 -4.781 1.00 0.00 H new ATOM 1319 N ASN A 81 96.882 0.935 0.234 1.00 0.00 N ATOM 1320 CA ASN A 81 96.869 0.415 1.627 1.00 0.00 C ATOM 1321 C ASN A 81 95.919 -0.778 1.700 1.00 0.00 C ATOM 1322 O ASN A 81 96.147 -1.719 2.428 1.00 0.00 O ATOM 1323 CB ASN A 81 96.388 1.512 2.579 1.00 0.00 C ATOM 1324 CG ASN A 81 96.250 0.937 3.989 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.226 0.795 4.699 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.068 0.597 4.430 1.00 0.00 N ATOM 0 H ASN A 81 96.669 1.928 0.140 1.00 0.00 H new ATOM 0 HA ASN A 81 97.874 0.106 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.094 2.342 2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.431 1.908 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 81 94.965 0.213 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.248 0.716 3.835 1.00 0.00 H new ATOM 1333 N ASN A 82 94.858 -0.748 0.941 1.00 0.00 N ATOM 1334 CA ASN A 82 93.899 -1.887 0.960 1.00 0.00 C ATOM 1335 C ASN A 82 94.630 -3.156 0.523 1.00 0.00 C ATOM 1336 O ASN A 82 94.432 -4.220 1.075 1.00 0.00 O ATOM 1337 CB ASN A 82 92.747 -1.606 -0.007 1.00 0.00 C ATOM 1338 CG ASN A 82 91.729 -0.681 0.662 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.902 -0.288 1.799 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.666 -0.313 -0.001 1.00 0.00 N ATOM 0 H ASN A 82 94.614 0.015 0.310 1.00 0.00 H new ATOM 0 HA ASN A 82 93.500 -2.015 1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.128 -1.145 -0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.268 -2.540 -0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.981 0.304 0.435 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.521 -0.643 -0.955 1.00 0.00 H new ATOM 1347 N TYR A 83 95.482 -3.051 -0.460 1.00 0.00 N ATOM 1348 CA TYR A 83 96.231 -4.255 -0.923 1.00 0.00 C ATOM 1349 C TYR A 83 97.223 -4.665 0.169 1.00 0.00 C ATOM 1350 O TYR A 83 97.128 -5.738 0.733 1.00 0.00 O ATOM 1351 CB TYR A 83 96.970 -3.920 -2.227 1.00 0.00 C ATOM 1352 CG TYR A 83 97.895 -5.052 -2.632 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.831 -6.302 -1.995 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.835 -4.840 -3.648 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.703 -7.326 -2.375 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.700 -5.865 -4.028 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.638 -7.109 -3.392 1.00 0.00 C ATOM 1358 OH TYR A 83 100.498 -8.120 -3.765 1.00 0.00 O ATOM 0 H TYR A 83 95.692 -2.188 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 83 95.547 -5.082 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.247 -3.734 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.545 -3.003 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.108 -6.472 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.890 -3.879 -4.139 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.655 -8.286 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.420 -5.698 -4.816 1.00 0.00 H new ATOM 0 HH TYR A 83 100.494 -8.822 -3.081 1.00 0.00 H new ATOM 1368 N ALA A 84 98.168 -3.825 0.484 1.00 0.00 N ATOM 1369 CA ALA A 84 99.152 -4.179 1.546 1.00 0.00 C ATOM 1370 C ALA A 84 98.430 -4.404 2.880 1.00 0.00 C ATOM 1371 O ALA A 84 99.014 -4.870 3.836 1.00 0.00 O ATOM 1372 CB ALA A 84 100.165 -3.042 1.701 1.00 0.00 C ATOM 0 H ALA A 84 98.302 -2.910 0.054 1.00 0.00 H new ATOM 0 HA ALA A 84 99.668 -5.096 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 84 100.885 -3.300 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.688 -2.890 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.644 -2.126 1.979 1.00 0.00 H new ATOM 1378 N GLN A 85 97.165 -4.076 2.959 1.00 0.00 N ATOM 1379 CA GLN A 85 96.429 -4.276 4.240 1.00 0.00 C ATOM 1380 C GLN A 85 95.970 -5.734 4.346 1.00 0.00 C ATOM 1381 O GLN A 85 96.105 -6.355 5.379 1.00 0.00 O ATOM 1382 CB GLN A 85 95.209 -3.351 4.287 1.00 0.00 C ATOM 1383 CG GLN A 85 94.365 -3.671 5.525 1.00 0.00 C ATOM 1384 CD GLN A 85 94.679 -2.660 6.630 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.923 -2.416 6.941 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 93.782 -2.087 7.217 1.00 0.00 N flip ATOM 0 H GLN A 85 96.615 -3.681 2.196 1.00 0.00 H new ATOM 0 HA GLN A 85 97.091 -4.042 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.531 -2.310 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.611 -3.477 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.305 -3.635 5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.577 -4.683 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 85 92.810 -2.278 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 85 94.001 -1.415 7.953 1.00 0.00 H new ATOM 1395 N LYS A 86 95.447 -6.298 3.287 1.00 0.00 N ATOM 1396 CA LYS A 86 95.015 -7.720 3.360 1.00 0.00 C ATOM 1397 C LYS A 86 96.230 -8.542 3.756 1.00 0.00 C ATOM 1398 O LYS A 86 96.124 -9.622 4.302 1.00 0.00 O ATOM 1399 CB LYS A 86 94.498 -8.179 1.993 1.00 0.00 C ATOM 1400 CG LYS A 86 93.209 -7.428 1.656 1.00 0.00 C ATOM 1401 CD LYS A 86 92.142 -8.423 1.196 1.00 0.00 C ATOM 1402 CE LYS A 86 92.560 -9.038 -0.141 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.456 -9.895 -0.660 1.00 0.00 N ATOM 0 H LYS A 86 95.303 -5.840 2.387 1.00 0.00 H new ATOM 0 HA LYS A 86 94.212 -7.843 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.251 -7.993 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.313 -9.253 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.857 -6.879 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.398 -6.694 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.013 -9.205 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.181 -7.920 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.792 -8.251 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.466 -9.631 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 91.739 -10.313 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.255 -10.653 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.602 -9.317 -0.796 1.00 0.00 H new ATOM 1417 N LEU A 87 97.389 -8.011 3.499 1.00 0.00 N ATOM 1418 CA LEU A 87 98.634 -8.716 3.869 1.00 0.00 C ATOM 1419 C LEU A 87 99.213 -8.041 5.106 1.00 0.00 C ATOM 1420 O LEU A 87 100.401 -7.840 5.212 1.00 0.00 O ATOM 1421 CB LEU A 87 99.626 -8.624 2.714 1.00 0.00 C ATOM 1422 CG LEU A 87 98.900 -8.929 1.406 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.074 -7.762 0.436 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.484 -10.195 0.787 1.00 0.00 C ATOM 0 H LEU A 87 97.524 -7.109 3.043 1.00 0.00 H new ATOM 0 HA LEU A 87 98.433 -9.767 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.067 -7.628 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.444 -9.329 2.864 1.00 0.00 H new ATOM 0 HG LEU A 87 97.839 -9.075 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.555 -7.983 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 87 98.657 -6.857 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.135 -7.612 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.967 -10.415 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.545 -10.047 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.357 -11.029 1.477 1.00 0.00 H new ATOM 1436 N CYS A 88 98.373 -7.695 6.043 1.00 0.00 N ATOM 1437 CA CYS A 88 98.857 -7.039 7.290 1.00 0.00 C ATOM 1438 C CYS A 88 98.709 -8.025 8.449 1.00 0.00 C ATOM 1439 O CYS A 88 99.217 -7.814 9.533 1.00 0.00 O ATOM 1440 CB CYS A 88 98.026 -5.781 7.568 1.00 0.00 C ATOM 1441 SG CYS A 88 96.360 -6.250 8.101 1.00 0.00 S ATOM 0 H CYS A 88 97.364 -7.840 5.997 1.00 0.00 H new ATOM 0 HA CYS A 88 99.903 -6.752 7.179 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.508 -5.179 8.338 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.970 -5.165 6.670 1.00 0.00 H new ATOM 0 HG CYS A 88 95.617 -6.473 7.058 1.00 0.00 H new ATOM 1447 N THR A 89 98.015 -9.106 8.216 1.00 0.00 N ATOM 1448 CA THR A 89 97.821 -10.127 9.277 1.00 0.00 C ATOM 1449 C THR A 89 99.183 -10.670 9.712 1.00 0.00 C ATOM 1450 O THR A 89 100.139 -9.930 9.816 1.00 0.00 O ATOM 1451 CB THR A 89 96.950 -11.247 8.708 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.543 -12.127 9.748 1.00 0.00 O ATOM 1453 CG2 THR A 89 97.750 -12.007 7.651 1.00 0.00 C ATOM 0 H THR A 89 97.570 -9.325 7.324 1.00 0.00 H new ATOM 0 HA THR A 89 97.331 -9.692 10.148 1.00 0.00 H new ATOM 0 HB THR A 89 96.056 -10.822 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 89 95.984 -12.840 9.374 1.00 0.00 H new ATOM 0 HG21 THR A 89 97.138 -12.809 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 89 98.039 -11.324 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 89 98.644 -12.431 8.107 1.00 0.00 H new ATOM 1461 N PHE A 90 99.283 -11.949 9.970 1.00 0.00 N ATOM 1462 CA PHE A 90 100.585 -12.529 10.396 1.00 0.00 C ATOM 1463 C PHE A 90 101.276 -11.578 11.379 1.00 0.00 C ATOM 1464 O PHE A 90 100.641 -10.746 11.995 1.00 0.00 O ATOM 1465 CB PHE A 90 101.460 -12.741 9.157 1.00 0.00 C ATOM 1466 CG PHE A 90 101.594 -11.447 8.385 1.00 0.00 C ATOM 1467 CD1 PHE A 90 102.452 -10.444 8.843 1.00 0.00 C ATOM 1468 CD2 PHE A 90 100.875 -11.259 7.200 1.00 0.00 C ATOM 1469 CE1 PHE A 90 102.600 -9.258 8.119 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.020 -10.066 6.475 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.887 -9.071 6.938 1.00 0.00 C ATOM 0 H PHE A 90 98.514 -12.616 9.903 1.00 0.00 H new ATOM 0 HA PHE A 90 100.424 -13.485 10.894 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.445 -13.099 9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.021 -13.509 8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 90 103.003 -10.586 9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 90 100.209 -12.031 6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 90 103.267 -8.487 8.475 1.00 0.00 H new ATOM 0 HE2 PHE A 90 100.463 -9.917 5.562 1.00 0.00 H new ATOM 0 HZ PHE A 90 102.004 -8.155 6.378 1.00 0.00 H new ATOM 1481 N SER A 91 102.568 -11.694 11.532 1.00 0.00 N ATOM 1482 CA SER A 91 103.291 -10.791 12.473 1.00 0.00 C ATOM 1483 C SER A 91 102.962 -9.330 12.143 1.00 0.00 C ATOM 1484 O SER A 91 102.065 -9.041 11.376 1.00 0.00 O ATOM 1485 CB SER A 91 104.798 -11.015 12.334 1.00 0.00 C ATOM 1486 OG SER A 91 105.444 -10.620 13.538 1.00 0.00 O ATOM 0 H SER A 91 103.153 -12.374 11.047 1.00 0.00 H new ATOM 0 HA SER A 91 102.980 -11.010 13.494 1.00 0.00 H new ATOM 0 HB2 SER A 91 105.004 -12.065 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.187 -10.440 11.493 1.00 0.00 H new ATOM 0 HG SER A 91 106.410 -10.764 13.453 1.00 0.00 H new ATOM 1492 N PHE A 92 103.677 -8.407 12.724 1.00 0.00 N ATOM 1493 CA PHE A 92 103.401 -6.967 12.457 1.00 0.00 C ATOM 1494 C PHE A 92 103.474 -6.685 10.949 1.00 0.00 C ATOM 1495 O PHE A 92 103.975 -7.479 10.179 1.00 0.00 O ATOM 1496 CB PHE A 92 104.428 -6.106 13.215 1.00 0.00 C ATOM 1497 CG PHE A 92 105.623 -5.799 12.335 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.648 -6.741 12.182 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.700 -4.569 11.670 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.745 -6.451 11.367 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.798 -4.281 10.856 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.821 -5.223 10.703 1.00 0.00 C ATOM 0 H PHE A 92 104.442 -8.588 13.374 1.00 0.00 H new ATOM 0 HA PHE A 92 102.398 -6.718 12.803 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.961 -5.176 13.540 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.756 -6.629 14.113 1.00 0.00 H new ATOM 0 HD1 PHE A 92 106.590 -7.690 12.693 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.910 -3.842 11.787 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.536 -7.177 11.250 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.857 -3.331 10.345 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.669 -5.002 10.072 1.00 0.00 H new ATOM 1512 N LEU A 93 102.984 -5.548 10.532 1.00 0.00 N ATOM 1513 CA LEU A 93 103.027 -5.192 9.085 1.00 0.00 C ATOM 1514 C LEU A 93 102.853 -3.676 8.944 1.00 0.00 C ATOM 1515 O LEU A 93 101.764 -3.153 9.074 1.00 0.00 O ATOM 1516 CB LEU A 93 101.895 -5.917 8.348 1.00 0.00 C ATOM 1517 CG LEU A 93 101.987 -5.656 6.838 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.321 -4.326 6.514 1.00 0.00 C ATOM 1519 CD2 LEU A 93 103.450 -5.616 6.390 1.00 0.00 C ATOM 0 H LEU A 93 102.554 -4.847 11.135 1.00 0.00 H new ATOM 0 HA LEU A 93 103.982 -5.493 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.953 -6.988 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.930 -5.576 8.724 1.00 0.00 H new ATOM 0 HG LEU A 93 101.480 -6.463 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.385 -4.139 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 93 100.274 -4.361 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.827 -3.525 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 93 103.497 -5.430 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 93 103.971 -4.818 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 93 103.925 -6.571 6.614 1.00 0.00 H new ATOM 1531 N ILE A 94 103.919 -2.963 8.694 1.00 0.00 N ATOM 1532 CA ILE A 94 103.810 -1.483 8.564 1.00 0.00 C ATOM 1533 C ILE A 94 103.843 -1.078 7.089 1.00 0.00 C ATOM 1534 O ILE A 94 104.892 -0.985 6.483 1.00 0.00 O ATOM 1535 CB ILE A 94 104.979 -0.820 9.297 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.828 -1.044 10.803 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.982 0.681 9.004 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.193 -1.369 11.412 1.00 0.00 C ATOM 0 H ILE A 94 104.858 -3.342 8.575 1.00 0.00 H new ATOM 0 HA ILE A 94 102.866 -1.158 9.002 1.00 0.00 H new ATOM 0 HB ILE A 94 105.917 -1.258 8.955 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.411 -0.153 11.273 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.131 -1.860 10.992 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.815 1.152 9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.089 0.842 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.045 1.120 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.084 -1.528 12.485 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.592 -2.272 10.950 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.877 -0.539 11.236 1.00 0.00 H new ATOM 1550 N CYS A 95 102.701 -0.827 6.508 1.00 0.00 N ATOM 1551 CA CYS A 95 102.668 -0.417 5.074 1.00 0.00 C ATOM 1552 C CYS A 95 102.380 1.084 4.981 1.00 0.00 C ATOM 1553 O CYS A 95 101.390 1.568 5.492 1.00 0.00 O ATOM 1554 CB CYS A 95 101.566 -1.188 4.343 1.00 0.00 C ATOM 1555 SG CYS A 95 101.348 -0.498 2.683 1.00 0.00 S ATOM 0 H CYS A 95 101.790 -0.888 6.963 1.00 0.00 H new ATOM 0 HA CYS A 95 103.631 -0.636 4.614 1.00 0.00 H new ATOM 0 HB2 CYS A 95 101.828 -2.244 4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.632 -1.125 4.901 1.00 0.00 H new ATOM 0 HG CYS A 95 100.129 -0.066 2.549 1.00 0.00 H new ATOM 1561 N LYS A 96 103.236 1.824 4.331 1.00 0.00 N ATOM 1562 CA LYS A 96 103.004 3.291 4.207 1.00 0.00 C ATOM 1563 C LYS A 96 103.344 3.742 2.784 1.00 0.00 C ATOM 1564 O LYS A 96 103.746 2.952 1.953 1.00 0.00 O ATOM 1565 CB LYS A 96 103.893 4.036 5.206 1.00 0.00 C ATOM 1566 CG LYS A 96 103.068 5.105 5.922 1.00 0.00 C ATOM 1567 CD LYS A 96 102.477 4.519 7.205 1.00 0.00 C ATOM 1568 CE LYS A 96 102.662 5.513 8.354 1.00 0.00 C ATOM 1569 NZ LYS A 96 101.901 6.760 8.061 1.00 0.00 N ATOM 0 H LYS A 96 104.084 1.478 3.882 1.00 0.00 H new ATOM 0 HA LYS A 96 101.958 3.513 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.310 3.337 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.734 4.497 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.694 5.966 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.270 5.460 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 96 101.418 4.303 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.966 3.575 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 96 102.314 5.073 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.720 5.742 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 102.560 7.561 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 101.393 6.653 7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.218 6.937 8.825 1.00 0.00 H new ATOM 1583 N GLY A 97 103.185 5.005 2.496 1.00 0.00 N ATOM 1584 CA GLY A 97 103.498 5.504 1.126 1.00 0.00 C ATOM 1585 C GLY A 97 104.849 6.224 1.139 1.00 0.00 C ATOM 1586 O GLY A 97 105.547 6.236 2.134 1.00 0.00 O ATOM 0 H GLY A 97 102.852 5.713 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.524 4.672 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.716 6.183 0.788 1.00 0.00 H new ATOM 1590 N VAL A 98 105.224 6.822 0.042 1.00 0.00 N ATOM 1591 CA VAL A 98 106.530 7.539 -0.006 1.00 0.00 C ATOM 1592 C VAL A 98 106.380 8.832 -0.810 1.00 0.00 C ATOM 1593 O VAL A 98 105.447 8.997 -1.569 1.00 0.00 O ATOM 1594 CB VAL A 98 107.575 6.648 -0.675 1.00 0.00 C ATOM 1595 CG1 VAL A 98 108.874 7.433 -0.858 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.842 5.427 0.205 1.00 0.00 C ATOM 0 H VAL A 98 104.683 6.845 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 98 106.846 7.778 1.009 1.00 0.00 H new ATOM 0 HB VAL A 98 107.205 6.324 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.619 6.797 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.687 8.305 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.243 7.757 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.588 4.791 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.212 5.753 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.917 4.865 0.338 1.00 0.00 H new ATOM 1606 N ASN A 99 107.298 9.744 -0.653 1.00 0.00 N ATOM 1607 CA ASN A 99 107.216 11.023 -1.412 1.00 0.00 C ATOM 1608 C ASN A 99 108.389 11.106 -2.389 1.00 0.00 C ATOM 1609 O ASN A 99 108.348 11.828 -3.366 1.00 0.00 O ATOM 1610 CB ASN A 99 107.279 12.201 -0.437 1.00 0.00 C ATOM 1611 CG ASN A 99 105.911 12.393 0.222 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.963 11.711 -0.110 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.769 13.301 1.150 1.00 0.00 N ATOM 0 H ASN A 99 108.102 9.659 -0.031 1.00 0.00 H new ATOM 0 HA ASN A 99 106.277 11.061 -1.964 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.038 12.017 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.570 13.109 -0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.862 13.437 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.565 13.874 1.429 1.00 0.00 H new ATOM 1620 N LYS A 100 109.436 10.369 -2.133 1.00 0.00 N ATOM 1621 CA LYS A 100 110.615 10.402 -3.045 1.00 0.00 C ATOM 1622 C LYS A 100 111.367 9.071 -2.955 1.00 0.00 C ATOM 1623 O LYS A 100 112.231 8.891 -2.120 1.00 0.00 O ATOM 1624 CB LYS A 100 111.546 11.543 -2.631 1.00 0.00 C ATOM 1625 CG LYS A 100 111.279 12.766 -3.510 1.00 0.00 C ATOM 1626 CD LYS A 100 111.889 14.007 -2.857 1.00 0.00 C ATOM 1627 CE LYS A 100 111.056 15.237 -3.221 1.00 0.00 C ATOM 1628 NZ LYS A 100 111.103 15.449 -4.694 1.00 0.00 N ATOM 0 H LYS A 100 109.526 9.745 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 100 110.279 10.560 -4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.386 11.794 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.586 11.232 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.708 12.615 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.206 12.903 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.920 13.883 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.918 14.139 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 100 110.025 15.101 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.440 16.116 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 110.730 16.393 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 112.087 15.377 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 110.525 14.725 -5.167 1.00 0.00 H new ATOM 1642 N GLU A 101 111.044 8.137 -3.808 1.00 0.00 N ATOM 1643 CA GLU A 101 111.741 6.818 -3.773 1.00 0.00 C ATOM 1644 C GLU A 101 113.231 7.018 -4.052 1.00 0.00 C ATOM 1645 O GLU A 101 114.073 6.350 -3.488 1.00 0.00 O ATOM 1646 CB GLU A 101 111.148 5.897 -4.841 1.00 0.00 C ATOM 1647 CG GLU A 101 110.816 4.540 -4.219 1.00 0.00 C ATOM 1648 CD GLU A 101 111.731 3.468 -4.816 1.00 0.00 C ATOM 1649 OE1 GLU A 101 112.927 3.544 -4.586 1.00 0.00 O ATOM 1650 OE2 GLU A 101 111.220 2.589 -5.491 1.00 0.00 O ATOM 0 H GLU A 101 110.327 8.230 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 101 111.611 6.369 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.249 6.345 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.856 5.770 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.945 4.582 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.772 4.288 -4.406 1.00 0.00 H new ATOM 1657 N TYR A 102 113.564 7.930 -4.923 1.00 0.00 N ATOM 1658 CA TYR A 102 115.001 8.164 -5.238 1.00 0.00 C ATOM 1659 C TYR A 102 115.803 8.245 -3.936 1.00 0.00 C ATOM 1660 O TYR A 102 116.754 7.515 -3.734 1.00 0.00 O ATOM 1661 CB TYR A 102 115.147 9.477 -6.013 1.00 0.00 C ATOM 1662 CG TYR A 102 116.600 9.696 -6.365 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.415 8.605 -6.688 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.132 10.991 -6.365 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.761 8.807 -7.013 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.479 11.194 -6.689 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.293 10.103 -7.014 1.00 0.00 C ATOM 1668 OH TYR A 102 120.621 10.303 -7.331 1.00 0.00 O ATOM 0 H TYR A 102 112.905 8.522 -5.429 1.00 0.00 H new ATOM 0 HA TYR A 102 115.379 7.341 -5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.543 9.445 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.778 10.309 -5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.005 7.606 -6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.504 11.833 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.389 7.965 -7.263 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.890 12.193 -6.688 1.00 0.00 H new ATOM 0 HH TYR A 102 120.828 11.260 -7.286 1.00 0.00 H new ATOM 1678 N LEU A 103 115.427 9.130 -3.054 1.00 0.00 N ATOM 1679 CA LEU A 103 116.165 9.266 -1.768 1.00 0.00 C ATOM 1680 C LEU A 103 115.974 8.019 -0.903 1.00 0.00 C ATOM 1681 O LEU A 103 116.927 7.421 -0.454 1.00 0.00 O ATOM 1682 CB LEU A 103 115.650 10.486 -1.018 1.00 0.00 C ATOM 1683 CG LEU A 103 116.818 11.434 -0.780 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.817 10.777 0.169 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.517 11.721 -2.103 1.00 0.00 C ATOM 0 H LEU A 103 114.638 9.766 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 103 117.227 9.382 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.870 10.983 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.205 10.187 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 103 116.446 12.363 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.654 11.453 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 103 117.327 10.557 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 103 118.184 9.851 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.353 12.399 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.887 10.788 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.811 12.181 -2.795 1.00 0.00 H new ATOM 1697 N MET A 104 114.754 7.630 -0.653 1.00 0.00 N ATOM 1698 CA MET A 104 114.514 6.427 0.198 1.00 0.00 C ATOM 1699 C MET A 104 115.494 5.310 -0.183 1.00 0.00 C ATOM 1700 O MET A 104 116.369 4.951 0.580 1.00 0.00 O ATOM 1701 CB MET A 104 113.081 5.935 -0.011 1.00 0.00 C ATOM 1702 CG MET A 104 112.335 5.956 1.324 1.00 0.00 C ATOM 1703 SD MET A 104 113.277 5.023 2.557 1.00 0.00 S ATOM 1704 CE MET A 104 111.864 4.349 3.463 1.00 0.00 C ATOM 0 H MET A 104 113.913 8.091 -1.000 1.00 0.00 H new ATOM 0 HA MET A 104 114.664 6.694 1.244 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.570 6.569 -0.736 1.00 0.00 H new ATOM 0 HB3 MET A 104 113.088 4.925 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.196 6.984 1.659 1.00 0.00 H new ATOM 0 HG3 MET A 104 111.342 5.522 1.205 1.00 0.00 H new ATOM 0 HE1 MET A 104 112.133 3.383 3.890 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.584 5.034 4.263 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.022 4.223 2.782 1.00 0.00 H new ATOM 1714 N TYR A 105 115.342 4.753 -1.352 1.00 0.00 N ATOM 1715 CA TYR A 105 116.247 3.650 -1.789 1.00 0.00 C ATOM 1716 C TYR A 105 117.703 4.125 -1.777 1.00 0.00 C ATOM 1717 O TYR A 105 118.619 3.336 -1.652 1.00 0.00 O ATOM 1718 CB TYR A 105 115.845 3.220 -3.202 1.00 0.00 C ATOM 1719 CG TYR A 105 116.940 2.397 -3.840 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.044 3.030 -4.422 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.843 1.000 -3.860 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.050 2.267 -5.023 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.849 0.238 -4.460 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.953 0.871 -5.044 1.00 0.00 C ATOM 1725 OH TYR A 105 119.945 0.118 -5.638 1.00 0.00 O ATOM 0 H TYR A 105 114.625 5.015 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 105 116.157 2.806 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.923 2.640 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.642 4.100 -3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.119 4.107 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.991 0.512 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 105 119.903 2.755 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.775 -0.839 -4.473 1.00 0.00 H new ATOM 0 HH TYR A 105 119.664 -0.820 -5.678 1.00 0.00 H new ATOM 1735 N SER A 106 117.931 5.402 -1.903 1.00 0.00 N ATOM 1736 CA SER A 106 119.334 5.907 -1.896 1.00 0.00 C ATOM 1737 C SER A 106 119.976 5.623 -0.533 1.00 0.00 C ATOM 1738 O SER A 106 121.090 5.145 -0.448 1.00 0.00 O ATOM 1739 CB SER A 106 119.335 7.413 -2.161 1.00 0.00 C ATOM 1740 OG SER A 106 120.672 7.895 -2.124 1.00 0.00 O ATOM 0 H SER A 106 117.211 6.116 -2.010 1.00 0.00 H new ATOM 0 HA SER A 106 119.905 5.402 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.887 7.623 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 106 118.730 7.926 -1.413 1.00 0.00 H new ATOM 0 HG SER A 106 120.677 8.860 -2.295 1.00 0.00 H new ATOM 1746 N ALA A 107 119.281 5.911 0.534 1.00 0.00 N ATOM 1747 CA ALA A 107 119.849 5.657 1.889 1.00 0.00 C ATOM 1748 C ALA A 107 119.873 4.151 2.155 1.00 0.00 C ATOM 1749 O ALA A 107 120.765 3.640 2.806 1.00 0.00 O ATOM 1750 CB ALA A 107 118.982 6.349 2.945 1.00 0.00 C ATOM 0 H ALA A 107 118.343 6.312 0.526 1.00 0.00 H new ATOM 0 HA ALA A 107 120.864 6.052 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 107 119.397 6.163 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.964 7.422 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.967 5.955 2.898 1.00 0.00 H new ATOM 1756 N LEU A 108 118.902 3.433 1.658 1.00 0.00 N ATOM 1757 CA LEU A 108 118.875 1.961 1.885 1.00 0.00 C ATOM 1758 C LEU A 108 120.113 1.326 1.247 1.00 0.00 C ATOM 1759 O LEU A 108 120.650 0.357 1.744 1.00 0.00 O ATOM 1760 CB LEU A 108 117.611 1.365 1.253 1.00 0.00 C ATOM 1761 CG LEU A 108 116.406 1.582 2.177 1.00 0.00 C ATOM 1762 CD1 LEU A 108 115.236 0.724 1.698 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.767 1.177 3.607 1.00 0.00 C ATOM 0 H LEU A 108 118.128 3.802 1.106 1.00 0.00 H new ATOM 0 HA LEU A 108 118.872 1.759 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.425 1.830 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.753 0.300 1.072 1.00 0.00 H new ATOM 0 HG LEU A 108 116.127 2.636 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 108 114.379 0.878 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.969 1.008 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.524 -0.327 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.907 1.334 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 108 117.050 0.125 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.602 1.784 3.957 1.00 0.00 H new ATOM 1775 N THR A 109 120.572 1.868 0.151 1.00 0.00 N ATOM 1776 CA THR A 109 121.776 1.296 -0.513 1.00 0.00 C ATOM 1777 C THR A 109 123.031 1.772 0.217 1.00 0.00 C ATOM 1778 O THR A 109 124.037 1.092 0.254 1.00 0.00 O ATOM 1779 CB THR A 109 121.829 1.766 -1.969 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.924 3.183 -2.003 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.562 1.321 -2.699 1.00 0.00 C ATOM 0 H THR A 109 120.165 2.681 -0.312 1.00 0.00 H new ATOM 0 HA THR A 109 121.724 0.208 -0.483 1.00 0.00 H new ATOM 0 HB THR A 109 122.699 1.330 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.541 3.556 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.602 1.657 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.490 0.234 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.689 1.755 -2.211 1.00 0.00 H new ATOM 1789 N ARG A 110 122.979 2.938 0.802 1.00 0.00 N ATOM 1790 CA ARG A 110 124.170 3.455 1.530 1.00 0.00 C ATOM 1791 C ARG A 110 124.161 2.918 2.962 1.00 0.00 C ATOM 1792 O ARG A 110 123.199 3.073 3.689 1.00 0.00 O ATOM 1793 CB ARG A 110 124.130 4.984 1.558 1.00 0.00 C ATOM 1794 CG ARG A 110 125.559 5.531 1.545 1.00 0.00 C ATOM 1795 CD ARG A 110 125.544 6.987 1.080 1.00 0.00 C ATOM 1796 NE ARG A 110 126.365 7.812 2.011 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.034 9.052 2.249 1.00 0.00 C ATOM 1798 NH1 ARG A 110 125.192 9.665 1.462 1.00 0.00 N ATOM 1799 NH2 ARG A 110 126.544 9.678 3.273 1.00 0.00 N ATOM 0 H ARG A 110 122.165 3.553 0.807 1.00 0.00 H new ATOM 0 HA ARG A 110 125.077 3.127 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.577 5.360 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.605 5.329 2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.996 5.461 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 110 126.183 4.933 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.939 7.061 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.520 7.361 1.051 1.00 0.00 H new ATOM 0 HE ARG A 110 127.186 7.408 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.793 9.175 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 110 124.933 10.634 1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 110 127.202 9.199 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 110 126.285 10.647 3.459 1.00 0.00 H new ATOM 1813 N ASP A 111 125.224 2.284 3.372 1.00 0.00 N ATOM 1814 CA ASP A 111 125.274 1.738 4.756 1.00 0.00 C ATOM 1815 C ASP A 111 124.731 2.782 5.735 1.00 0.00 C ATOM 1816 O ASP A 111 124.657 3.952 5.413 1.00 0.00 O ATOM 1817 CB ASP A 111 126.722 1.402 5.117 1.00 0.00 C ATOM 1818 CG ASP A 111 127.656 2.435 4.485 1.00 0.00 C ATOM 1819 OD1 ASP A 111 127.827 3.489 5.075 1.00 0.00 O ATOM 1820 OD2 ASP A 111 128.184 2.155 3.422 1.00 0.00 O ATOM 0 H ASP A 111 126.059 2.121 2.809 1.00 0.00 H new ATOM 0 HA ASP A 111 124.666 0.835 4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.847 1.397 6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.974 0.403 4.763 1.00 0.00 H new ATOM 1825 N PRO A 112 124.368 2.324 6.906 1.00 0.00 N ATOM 1826 CA PRO A 112 124.464 0.902 7.285 1.00 0.00 C ATOM 1827 C PRO A 112 123.271 0.104 6.736 1.00 0.00 C ATOM 1828 O PRO A 112 122.932 -0.943 7.251 1.00 0.00 O ATOM 1829 CB PRO A 112 124.423 0.940 8.815 1.00 0.00 C ATOM 1830 CG PRO A 112 123.740 2.275 9.201 1.00 0.00 C ATOM 1831 CD PRO A 112 123.839 3.198 7.971 1.00 0.00 C ATOM 0 HA PRO A 112 125.357 0.419 6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 112 123.866 0.090 9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 112 125.428 0.883 9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 112 122.699 2.110 9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 112 124.232 2.726 10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 112 122.866 3.610 7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 112 124.502 4.043 8.159 1.00 0.00 H new ATOM 1839 N PHE A 113 122.628 0.582 5.703 1.00 0.00 N ATOM 1840 CA PHE A 113 121.465 -0.165 5.148 1.00 0.00 C ATOM 1841 C PHE A 113 121.955 -1.173 4.105 1.00 0.00 C ATOM 1842 O PHE A 113 122.621 -0.820 3.151 1.00 0.00 O ATOM 1843 CB PHE A 113 120.490 0.818 4.498 1.00 0.00 C ATOM 1844 CG PHE A 113 119.700 1.525 5.574 1.00 0.00 C ATOM 1845 CD1 PHE A 113 120.258 2.615 6.250 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.409 1.087 5.897 1.00 0.00 C ATOM 1847 CE1 PHE A 113 119.526 3.268 7.247 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.678 1.741 6.893 1.00 0.00 C ATOM 1849 CZ PHE A 113 118.236 2.832 7.569 1.00 0.00 C ATOM 0 H PHE A 113 122.857 1.452 5.223 1.00 0.00 H new ATOM 0 HA PHE A 113 120.957 -0.697 5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 113 121.036 1.544 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.816 0.288 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 113 121.254 2.952 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 113 117.979 0.244 5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 113 119.957 4.110 7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 113 116.682 1.404 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 113 117.671 3.337 8.339 1.00 0.00 H new ATOM 1859 N SER A 114 121.634 -2.426 4.282 1.00 0.00 N ATOM 1860 CA SER A 114 122.087 -3.457 3.304 1.00 0.00 C ATOM 1861 C SER A 114 121.039 -3.622 2.201 1.00 0.00 C ATOM 1862 O SER A 114 119.944 -3.103 2.285 1.00 0.00 O ATOM 1863 CB SER A 114 122.281 -4.791 4.025 1.00 0.00 C ATOM 1864 OG SER A 114 122.650 -4.545 5.376 1.00 0.00 O ATOM 0 H SER A 114 121.078 -2.780 5.061 1.00 0.00 H new ATOM 0 HA SER A 114 123.030 -3.140 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.361 -5.375 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 114 123.052 -5.378 3.526 1.00 0.00 H new ATOM 0 HG SER A 114 122.774 -5.398 5.842 1.00 0.00 H new ATOM 1870 N VAL A 115 121.369 -4.349 1.167 1.00 0.00 N ATOM 1871 CA VAL A 115 120.399 -4.557 0.055 1.00 0.00 C ATOM 1872 C VAL A 115 120.158 -6.057 -0.130 1.00 0.00 C ATOM 1873 O VAL A 115 121.084 -6.843 -0.167 1.00 0.00 O ATOM 1874 CB VAL A 115 120.973 -3.968 -1.237 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.999 -4.215 -2.390 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.180 -2.462 -1.064 1.00 0.00 C ATOM 0 H VAL A 115 122.271 -4.809 1.045 1.00 0.00 H new ATOM 0 HA VAL A 115 119.457 -4.062 0.292 1.00 0.00 H new ATOM 0 HB VAL A 115 121.928 -4.445 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.409 -3.795 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.849 -5.287 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.044 -3.739 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.589 -2.043 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.225 -1.987 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.875 -2.282 -0.243 1.00 0.00 H new ATOM 1886 N ILE A 116 118.923 -6.464 -0.243 1.00 0.00 N ATOM 1887 CA ILE A 116 118.632 -7.915 -0.421 1.00 0.00 C ATOM 1888 C ILE A 116 118.553 -8.247 -1.913 1.00 0.00 C ATOM 1889 O ILE A 116 119.418 -8.904 -2.459 1.00 0.00 O ATOM 1890 CB ILE A 116 117.301 -8.258 0.249 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.343 -7.830 1.718 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.062 -9.768 0.167 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.922 -7.563 2.215 1.00 0.00 C ATOM 0 H ILE A 116 118.104 -5.856 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 116 119.430 -8.499 0.037 1.00 0.00 H new ATOM 0 HB ILE A 116 116.493 -7.733 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 116 117.810 -8.609 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.952 -6.933 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.113 -10.013 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.032 -10.075 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 116 117.870 -10.293 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.954 -7.258 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.471 -6.769 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.326 -8.471 2.119 1.00 0.00 H new ATOM 1905 N GLU A 117 117.521 -7.804 -2.578 1.00 0.00 N ATOM 1906 CA GLU A 117 117.392 -8.105 -4.033 1.00 0.00 C ATOM 1907 C GLU A 117 116.435 -7.105 -4.686 1.00 0.00 C ATOM 1908 O GLU A 117 115.544 -6.579 -4.051 1.00 0.00 O ATOM 1909 CB GLU A 117 116.846 -9.525 -4.208 1.00 0.00 C ATOM 1910 CG GLU A 117 116.443 -9.745 -5.666 1.00 0.00 C ATOM 1911 CD GLU A 117 114.966 -9.391 -5.847 1.00 0.00 C ATOM 1912 OE1 GLU A 117 114.240 -9.442 -4.868 1.00 0.00 O ATOM 1913 OE2 GLU A 117 114.585 -9.076 -6.963 1.00 0.00 O ATOM 0 H GLU A 117 116.764 -7.249 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 117 118.370 -8.026 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 117 117.601 -10.254 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.986 -9.677 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 117 117.058 -9.129 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 117 116.616 -10.783 -5.949 1.00 0.00 H new ATOM 1920 N GLU A 118 116.612 -6.840 -5.952 1.00 0.00 N ATOM 1921 CA GLU A 118 115.713 -5.875 -6.649 1.00 0.00 C ATOM 1922 C GLU A 118 115.327 -6.443 -8.017 1.00 0.00 C ATOM 1923 O GLU A 118 115.682 -7.554 -8.359 1.00 0.00 O ATOM 1924 CB GLU A 118 116.438 -4.540 -6.835 1.00 0.00 C ATOM 1925 CG GLU A 118 117.937 -4.790 -7.006 1.00 0.00 C ATOM 1926 CD GLU A 118 118.678 -3.452 -7.047 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.585 -2.777 -8.059 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.326 -3.126 -6.066 1.00 0.00 O ATOM 0 H GLU A 118 117.341 -7.251 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 118 114.815 -5.716 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.044 -4.019 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.262 -3.896 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.311 -5.399 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.121 -5.347 -7.924 1.00 0.00 H new ATOM 1935 N SER A 119 114.604 -5.694 -8.803 1.00 0.00 N ATOM 1936 CA SER A 119 114.199 -6.199 -10.146 1.00 0.00 C ATOM 1937 C SER A 119 114.914 -5.396 -11.234 1.00 0.00 C ATOM 1938 O SER A 119 114.949 -5.786 -12.384 1.00 0.00 O ATOM 1939 CB SER A 119 112.686 -6.052 -10.314 1.00 0.00 C ATOM 1940 OG SER A 119 112.238 -4.931 -9.564 1.00 0.00 O ATOM 0 H SER A 119 114.276 -4.756 -8.574 1.00 0.00 H new ATOM 0 HA SER A 119 114.473 -7.250 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.436 -5.923 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.181 -6.957 -9.975 1.00 0.00 H new ATOM 0 HG SER A 119 112.186 -5.172 -8.615 1.00 0.00 H new ATOM 1946 N LEU A 120 115.485 -4.276 -10.882 1.00 0.00 N ATOM 1947 CA LEU A 120 116.197 -3.452 -11.900 1.00 0.00 C ATOM 1948 C LEU A 120 117.682 -3.828 -11.915 1.00 0.00 C ATOM 1949 O LEU A 120 118.175 -4.435 -10.985 1.00 0.00 O ATOM 1950 CB LEU A 120 116.051 -1.970 -11.550 1.00 0.00 C ATOM 1951 CG LEU A 120 114.786 -1.413 -12.204 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.993 -1.314 -13.716 1.00 0.00 C ATOM 1953 CD2 LEU A 120 113.610 -2.346 -11.910 1.00 0.00 C ATOM 0 H LEU A 120 115.489 -3.897 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 120 115.765 -3.638 -12.883 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.999 -1.844 -10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.925 -1.417 -11.894 1.00 0.00 H new ATOM 0 HG LEU A 120 114.575 -0.422 -11.802 1.00 0.00 H new ATOM 0 HD11 LEU A 120 114.091 -0.917 -14.182 1.00 0.00 H new ATOM 0 HD12 LEU A 120 115.832 -0.650 -13.926 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.204 -2.304 -14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 120 112.707 -1.951 -12.375 1.00 0.00 H new ATOM 0 HD22 LEU A 120 113.822 -3.337 -12.312 1.00 0.00 H new ATOM 0 HD23 LEU A 120 113.462 -2.416 -10.832 1.00 0.00 H new ATOM 1965 N PRO A 121 118.349 -3.452 -12.977 1.00 0.00 N ATOM 1966 CA PRO A 121 119.785 -3.729 -13.152 1.00 0.00 C ATOM 1967 C PRO A 121 120.619 -2.749 -12.327 1.00 0.00 C ATOM 1968 O PRO A 121 121.390 -3.136 -11.472 1.00 0.00 O ATOM 1969 CB PRO A 121 120.010 -3.510 -14.651 1.00 0.00 C ATOM 1970 CG PRO A 121 118.867 -2.587 -15.134 1.00 0.00 C ATOM 1971 CD PRO A 121 117.732 -2.714 -14.099 1.00 0.00 C ATOM 0 HA PRO A 121 120.075 -4.727 -12.823 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.982 -3.053 -14.835 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.997 -4.458 -15.188 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.208 -1.555 -15.210 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.523 -2.883 -16.125 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.370 -1.736 -13.782 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.877 -3.253 -14.508 1.00 0.00 H new ATOM 1979 N GLY A 122 120.467 -1.481 -12.581 1.00 0.00 N ATOM 1980 CA GLY A 122 121.246 -0.467 -11.816 1.00 0.00 C ATOM 1981 C GLY A 122 120.351 0.169 -10.751 1.00 0.00 C ATOM 1982 O GLY A 122 120.517 1.317 -10.391 1.00 0.00 O ATOM 0 H GLY A 122 119.836 -1.101 -13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.111 -0.936 -11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.627 0.300 -12.491 1.00 0.00 H new ATOM 1986 N GLY A 123 119.401 -0.570 -10.244 1.00 0.00 N ATOM 1987 CA GLY A 123 118.496 -0.007 -9.201 1.00 0.00 C ATOM 1988 C GLY A 123 117.688 1.150 -9.791 1.00 0.00 C ATOM 1989 O GLY A 123 117.152 1.055 -10.878 1.00 0.00 O ATOM 0 H GLY A 123 119.213 -1.538 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.824 -0.782 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 123 119.079 0.341 -8.349 1.00 0.00 H new ATOM 1993 N LEU A 124 117.596 2.242 -9.082 1.00 0.00 N ATOM 1994 CA LEU A 124 116.823 3.406 -9.599 1.00 0.00 C ATOM 1995 C LEU A 124 117.787 4.532 -9.971 1.00 0.00 C ATOM 1996 O LEU A 124 118.979 4.440 -9.750 1.00 0.00 O ATOM 1997 CB LEU A 124 115.859 3.901 -8.520 1.00 0.00 C ATOM 1998 CG LEU A 124 114.448 3.394 -8.820 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.624 3.394 -7.532 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.784 4.314 -9.847 1.00 0.00 C ATOM 0 H LEU A 124 118.023 2.378 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 124 116.258 3.102 -10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.182 3.549 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.865 4.990 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 124 114.502 2.381 -9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.618 3.033 -7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.097 2.742 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.570 4.408 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.778 3.954 -10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.729 5.326 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.371 4.318 -10.765 1.00 0.00 H new ATOM 2012 N LYS A 125 117.281 5.595 -10.530 1.00 0.00 N ATOM 2013 CA LYS A 125 118.166 6.730 -10.914 1.00 0.00 C ATOM 2014 C LYS A 125 117.340 7.787 -11.649 1.00 0.00 C ATOM 2015 O LYS A 125 116.136 7.677 -11.760 1.00 0.00 O ATOM 2016 CB LYS A 125 119.279 6.215 -11.834 1.00 0.00 C ATOM 2017 CG LYS A 125 120.599 6.926 -11.515 1.00 0.00 C ATOM 2018 CD LYS A 125 120.887 6.835 -10.015 1.00 0.00 C ATOM 2019 CE LYS A 125 120.717 8.216 -9.379 1.00 0.00 C ATOM 2020 NZ LYS A 125 121.651 9.179 -10.029 1.00 0.00 N ATOM 0 H LYS A 125 116.291 5.727 -10.738 1.00 0.00 H new ATOM 0 HA LYS A 125 118.609 7.171 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 125 119.397 5.139 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 125 119.008 6.385 -12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 125 121.413 6.471 -12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 125 120.543 7.971 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 125 120.210 6.121 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 125 121.900 6.469 -9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 125 119.688 8.557 -9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 125 120.918 8.163 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 122.044 9.820 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 122.425 8.657 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 121.137 9.733 -10.743 1.00 0.00 H new ATOM 2034 N GLU A 126 117.974 8.812 -12.150 1.00 0.00 N ATOM 2035 CA GLU A 126 117.219 9.873 -12.873 1.00 0.00 C ATOM 2036 C GLU A 126 116.581 9.280 -14.133 1.00 0.00 C ATOM 2037 O GLU A 126 115.726 9.883 -14.751 1.00 0.00 O ATOM 2038 CB GLU A 126 118.175 10.999 -13.271 1.00 0.00 C ATOM 2039 CG GLU A 126 117.603 12.343 -12.810 1.00 0.00 C ATOM 2040 CD GLU A 126 117.360 13.241 -14.025 1.00 0.00 C ATOM 2041 OE1 GLU A 126 117.851 12.910 -15.092 1.00 0.00 O ATOM 2042 OE2 GLU A 126 116.687 14.246 -13.868 1.00 0.00 O ATOM 0 H GLU A 126 118.981 8.960 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 126 116.440 10.269 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.154 10.835 -12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 126 118.318 11.004 -14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 126 116.670 12.186 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 126 118.295 12.827 -12.120 1.00 0.00 H new ATOM 2049 N HIS A 127 116.992 8.103 -14.519 1.00 0.00 N ATOM 2050 CA HIS A 127 116.409 7.474 -15.741 1.00 0.00 C ATOM 2051 C HIS A 127 115.090 6.781 -15.384 1.00 0.00 C ATOM 2052 O HIS A 127 114.519 6.065 -16.182 1.00 0.00 O ATOM 2053 CB HIS A 127 117.397 6.450 -16.306 1.00 0.00 C ATOM 2054 CG HIS A 127 117.401 5.217 -15.447 1.00 0.00 C ATOM 2055 ND1 HIS A 127 117.075 5.250 -14.099 1.00 0.00 N ATOM 2056 CD2 HIS A 127 117.690 3.906 -15.730 1.00 0.00 C ATOM 2057 CE1 HIS A 127 117.174 3.994 -13.627 1.00 0.00 C ATOM 2058 NE2 HIS A 127 117.546 3.135 -14.580 1.00 0.00 N ATOM 0 H HIS A 127 117.705 7.550 -14.043 1.00 0.00 H new ATOM 0 HA HIS A 127 116.217 8.242 -16.490 1.00 0.00 H new ATOM 0 HB2 HIS A 127 117.121 6.191 -17.328 1.00 0.00 H new ATOM 0 HB3 HIS A 127 118.398 6.880 -16.345 1.00 0.00 H new ATOM 0 HD2 HIS A 127 117.985 3.529 -16.698 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.977 3.714 -12.603 1.00 0.00 H new ATOM 0 HE2 HIS A 127 117.693 2.130 -14.485 1.00 0.00 H new ATOM 2066 N ASP A 128 114.602 6.991 -14.192 1.00 0.00 N ATOM 2067 CA ASP A 128 113.321 6.346 -13.784 1.00 0.00 C ATOM 2068 C ASP A 128 112.449 7.357 -13.036 1.00 0.00 C ATOM 2069 O ASP A 128 111.239 7.352 -13.151 1.00 0.00 O ATOM 2070 CB ASP A 128 113.614 5.155 -12.869 1.00 0.00 C ATOM 2071 CG ASP A 128 112.978 3.893 -13.454 1.00 0.00 C ATOM 2072 OD1 ASP A 128 112.670 3.902 -14.635 1.00 0.00 O ATOM 2073 OD2 ASP A 128 112.809 2.939 -12.713 1.00 0.00 O ATOM 0 H ASP A 128 115.035 7.582 -13.482 1.00 0.00 H new ATOM 0 HA ASP A 128 112.795 6.001 -14.674 1.00 0.00 H new ATOM 0 HB2 ASP A 128 114.690 5.018 -12.766 1.00 0.00 H new ATOM 0 HB3 ASP A 128 113.220 5.344 -11.871 1.00 0.00 H new ATOM 2078 N PHE A 129 113.053 8.222 -12.269 1.00 0.00 N ATOM 2079 CA PHE A 129 112.259 9.230 -11.514 1.00 0.00 C ATOM 2080 C PHE A 129 111.867 10.375 -12.453 1.00 0.00 C ATOM 2081 O PHE A 129 112.239 10.395 -13.609 1.00 0.00 O ATOM 2082 CB PHE A 129 113.100 9.773 -10.357 1.00 0.00 C ATOM 2083 CG PHE A 129 113.498 8.633 -9.448 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.513 7.888 -8.785 1.00 0.00 C ATOM 2085 CD2 PHE A 129 114.851 8.316 -9.268 1.00 0.00 C ATOM 2086 CE1 PHE A 129 112.879 6.832 -7.945 1.00 0.00 C ATOM 2087 CE2 PHE A 129 115.216 7.259 -8.429 1.00 0.00 C ATOM 2088 CZ PHE A 129 114.231 6.517 -7.766 1.00 0.00 C ATOM 0 H PHE A 129 114.063 8.274 -12.133 1.00 0.00 H new ATOM 0 HA PHE A 129 111.356 8.766 -11.117 1.00 0.00 H new ATOM 0 HB2 PHE A 129 113.989 10.273 -10.742 1.00 0.00 H new ATOM 0 HB3 PHE A 129 112.533 10.517 -9.798 1.00 0.00 H new ATOM 0 HD1 PHE A 129 111.470 8.130 -8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 129 115.612 8.888 -9.778 1.00 0.00 H new ATOM 0 HE1 PHE A 129 112.119 6.260 -7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 129 116.259 7.014 -8.292 1.00 0.00 H new ATOM 0 HZ PHE A 129 114.514 5.702 -7.117 1.00 0.00 H new ATOM 2098 N ASN A 130 111.111 11.325 -11.970 1.00 0.00 N ATOM 2099 CA ASN A 130 110.692 12.457 -12.845 1.00 0.00 C ATOM 2100 C ASN A 130 111.400 13.745 -12.407 1.00 0.00 C ATOM 2101 O ASN A 130 111.597 13.971 -11.229 1.00 0.00 O ATOM 2102 CB ASN A 130 109.177 12.650 -12.734 1.00 0.00 C ATOM 2103 CG ASN A 130 108.502 12.145 -14.011 1.00 0.00 C ATOM 2104 OD1 ASN A 130 108.062 12.927 -14.830 1.00 0.00 O ATOM 2105 ND2 ASN A 130 108.400 10.859 -14.215 1.00 0.00 N ATOM 0 H ASN A 130 110.767 11.366 -11.011 1.00 0.00 H new ATOM 0 HA ASN A 130 110.961 12.231 -13.877 1.00 0.00 H new ATOM 0 HB2 ASN A 130 108.793 12.109 -11.869 1.00 0.00 H new ATOM 0 HB3 ASN A 130 108.944 13.704 -12.580 1.00 0.00 H new ATOM 0 HD21 ASN A 130 107.951 10.511 -15.062 1.00 0.00 H new ATOM 0 HD22 ASN A 130 108.770 10.203 -13.527 1.00 0.00 H new ATOM 2112 N PRO A 131 111.757 14.555 -13.375 1.00 0.00 N ATOM 2113 CA PRO A 131 112.442 15.836 -13.128 1.00 0.00 C ATOM 2114 C PRO A 131 111.435 16.905 -12.696 1.00 0.00 C ATOM 2115 O PRO A 131 110.299 16.612 -12.379 1.00 0.00 O ATOM 2116 CB PRO A 131 113.048 16.186 -14.491 1.00 0.00 C ATOM 2117 CG PRO A 131 112.220 15.416 -15.548 1.00 0.00 C ATOM 2118 CD PRO A 131 111.515 14.266 -14.803 1.00 0.00 C ATOM 0 HA PRO A 131 113.187 15.777 -12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 131 113.005 17.260 -14.671 1.00 0.00 H new ATOM 0 HB3 PRO A 131 114.098 15.897 -14.535 1.00 0.00 H new ATOM 0 HG2 PRO A 131 111.492 16.073 -16.024 1.00 0.00 H new ATOM 0 HG3 PRO A 131 112.864 15.029 -16.338 1.00 0.00 H new ATOM 0 HD2 PRO A 131 110.449 14.240 -15.029 1.00 0.00 H new ATOM 0 HD3 PRO A 131 111.925 13.297 -15.088 1.00 0.00 H new ATOM 2126 N GLU A 132 111.844 18.144 -12.683 1.00 0.00 N ATOM 2127 CA GLU A 132 110.915 19.234 -12.275 1.00 0.00 C ATOM 2128 C GLU A 132 111.363 20.549 -12.916 1.00 0.00 C ATOM 2129 O GLU A 132 112.365 21.124 -12.540 1.00 0.00 O ATOM 2130 CB GLU A 132 110.932 19.379 -10.752 1.00 0.00 C ATOM 2131 CG GLU A 132 112.318 19.840 -10.299 1.00 0.00 C ATOM 2132 CD GLU A 132 112.258 21.312 -9.887 1.00 0.00 C ATOM 2133 OE1 GLU A 132 111.416 22.021 -10.415 1.00 0.00 O ATOM 2134 OE2 GLU A 132 113.055 21.706 -9.052 1.00 0.00 O ATOM 0 H GLU A 132 112.784 18.448 -12.938 1.00 0.00 H new ATOM 0 HA GLU A 132 109.905 18.992 -12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 132 110.177 20.098 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 132 110.682 18.428 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 132 112.660 19.231 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 132 113.039 19.706 -11.106 1.00 0.00 H new ATOM 2141 N SER A 133 110.631 21.030 -13.883 1.00 0.00 N ATOM 2142 CA SER A 133 111.018 22.306 -14.549 1.00 0.00 C ATOM 2143 C SER A 133 109.949 23.368 -14.284 1.00 0.00 C ATOM 2144 O SER A 133 109.266 23.813 -15.186 1.00 0.00 O ATOM 2145 CB SER A 133 111.145 22.076 -16.055 1.00 0.00 C ATOM 2146 OG SER A 133 110.925 20.701 -16.340 1.00 0.00 O ATOM 0 H SER A 133 109.781 20.594 -14.241 1.00 0.00 H new ATOM 0 HA SER A 133 111.973 22.647 -14.150 1.00 0.00 H new ATOM 0 HB2 SER A 133 110.422 22.691 -16.591 1.00 0.00 H new ATOM 0 HB3 SER A 133 112.135 22.377 -16.398 1.00 0.00 H new ATOM 0 HG SER A 133 111.004 20.550 -17.305 1.00 0.00 H new ATOM 2152 N SER A 134 109.799 23.779 -13.055 1.00 0.00 N ATOM 2153 CA SER A 134 108.775 24.814 -12.735 1.00 0.00 C ATOM 2154 C SER A 134 109.418 25.930 -11.909 1.00 0.00 C ATOM 2155 O SER A 134 109.640 25.713 -10.729 1.00 0.00 O ATOM 2156 CB SER A 134 107.638 24.177 -11.935 1.00 0.00 C ATOM 2157 OG SER A 134 106.657 25.165 -11.647 1.00 0.00 O ATOM 2158 OXT SER A 134 109.679 26.980 -12.471 1.00 0.00 O ATOM 0 H SER A 134 110.341 23.443 -12.259 1.00 0.00 H new ATOM 0 HA SER A 134 108.378 25.230 -13.661 1.00 0.00 H new ATOM 0 HB2 SER A 134 107.192 23.360 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 134 108.024 23.750 -11.009 1.00 0.00 H new ATOM 0 HG SER A 134 105.926 24.760 -11.136 1.00 0.00 H new TER 2164 SER A 134