USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 933 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 70 LYS NZ :NH3+ 158:sc= 0.479 (180deg=0) USER MOD Set 1.2: B 119 A O3' : rot -160:sc= 1.3 USER MOD Set 2.1: A 109 ASN : amide:sc= 0.454 K(o=0.95,f=-3.9!) USER MOD Set 2.2: A 112 LYS NZ :NH3+ 174:sc= 0.495 (180deg=0) USER MOD Set 3.1: A 79 ASN : amide:sc= 0.159 K(o=0.37,f=1.2) USER MOD Set 3.2: A 82 SER OG : rot -80:sc= 0.214 USER MOD Set 4.1: A 43 GLN : amide:sc= 0.0298 K(o=-0.16,f=-2.5) USER MOD Set 4.2: A 47 GLN : amide:sc= 0.649 K(o=-0.16,f=-2.5!) USER MOD Set 4.3: A 50 MET CE :methyl -157:sc= -0.836 (180deg=-0.881) USER MOD Set 5.1: A 20 HIS : no HD1:sc= 0.841 K(o=1.3,f=-3.5) USER MOD Set 5.2: A 22 GLN : amide:sc= -1.19 K(o=1.3,f=0.33) USER MOD Set 5.3: A 59 LYS NZ :NH3+ 179:sc= 1.64 (180deg=0.948) USER MOD Set 6.1: A 4 SER OG : rot 111:sc= 0.0728 USER MOD Set 6.2: A 6 HIS : no HD1:sc= -0.223 K(o=-0.15,f=-2.5) USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00371 (180deg=-0.2) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0971 (180deg=-0.0704) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0917 K(o=-0.092,f=-0.62) USER MOD Single : A 7 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc=-0.00325 X(o=-0.0032,f=-0.00036) USER MOD Single : A 10 HIS : no HD1:sc= -0.0628 K(o=-0.063,f=-0.62) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 21 MET CE :methyl -166:sc= -0.0294 (180deg=-0.332) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= 0.725 (180deg=0.53) USER MOD Single : A 30 ASN : amide:sc= -0.0238 K(o=-0.024,f=-6.8!) USER MOD Single : A 34 TYR OH : rot 82:sc= 1.56 USER MOD Single : A 35 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-10!) USER MOD Single : A 38 GLN : amide:sc= -0.0551 K(o=-0.055,f=-1.8) USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.114) USER MOD Single : A 54 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.7) USER MOD Single : A 57 SER OG : rot -130:sc= 0.0108 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.827 K(o=0.83,f=-0.017) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 69 SER OG : rot -167:sc= 0.302 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -164:sc= 0.485 USER MOD Single : A 77 TYR OH : rot 28:sc= 0.465 USER MOD Single : A 84 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.49) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 90 MET CE :methyl 156:sc= -0.237 (180deg=-1.03) USER MOD Single : A 91 ASN : amide:sc=-0.00941 K(o=-0.0094,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 97 MET CE :methyl 167:sc= -0.0139 (180deg=-0.246) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -0.0212 (180deg=-0.181) USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0.43 (180deg=0.43) USER MOD Single : A 103 GLN : amide:sc= -0.576 K(o=-0.58,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 173:sc= 1.38 (180deg=1.27) USER MOD Single : A 107 SER OG : rot 88:sc= 0.278 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 U O2' : rot 77:sc= 1.04 USER MOD Single : B 115 U O5' : rot 180:sc= 0 USER MOD Single : B 116 U O2' : rot -18:sc= 0.881 USER MOD Single : B 117 U O2' : rot 21:sc= 0.102 USER MOD Single : B 118 A O2' : rot 34:sc= 1.46 USER MOD Single : B 119 A O2' : rot 164:sc= 0.492 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.519 35.155 -16.311 1.00 0.00 N ATOM 2 CA MET A 1 14.169 35.343 -14.997 1.00 0.00 C ATOM 3 C MET A 1 14.271 34.013 -14.255 1.00 0.00 C ATOM 4 O MET A 1 13.615 33.040 -14.624 1.00 0.00 O ATOM 5 CB MET A 1 13.420 36.384 -14.157 1.00 0.00 C ATOM 6 CG MET A 1 12.002 35.931 -13.813 1.00 0.00 C ATOM 7 SD MET A 1 11.084 37.076 -12.748 1.00 0.00 S ATOM 8 CE MET A 1 10.897 38.474 -13.884 1.00 0.00 C ATOM 0 H1 MET A 1 12.765 35.862 -16.430 1.00 0.00 H new ATOM 0 H2 MET A 1 14.224 35.270 -17.067 1.00 0.00 H new ATOM 0 H3 MET A 1 13.109 34.200 -16.362 1.00 0.00 H new ATOM 0 HA MET A 1 15.178 35.717 -15.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.973 36.573 -13.237 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.377 37.327 -14.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.445 35.790 -14.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.054 34.960 -13.321 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.177 39.182 -13.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.859 38.969 -14.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.542 38.113 -14.849 1.00 0.00 H new ATOM 20 N GLY A 2 15.095 33.970 -13.205 1.00 0.00 N ATOM 21 CA GLY A 2 15.290 32.768 -12.413 1.00 0.00 C ATOM 22 C GLY A 2 16.270 33.010 -11.268 1.00 0.00 C ATOM 23 O GLY A 2 16.791 34.113 -11.110 1.00 0.00 O ATOM 0 H GLY A 2 15.642 34.770 -12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.333 32.436 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 2 15.663 31.967 -13.051 1.00 0.00 H new ATOM 27 N SER A 3 16.526 31.971 -10.466 1.00 0.00 N ATOM 28 CA SER A 3 17.443 32.048 -9.332 1.00 0.00 C ATOM 29 C SER A 3 18.909 32.015 -9.769 1.00 0.00 C ATOM 30 O SER A 3 19.803 32.090 -8.929 1.00 0.00 O ATOM 31 CB SER A 3 17.163 30.895 -8.368 1.00 0.00 C ATOM 32 OG SER A 3 15.870 31.035 -7.817 1.00 0.00 O ATOM 0 H SER A 3 16.100 31.052 -10.588 1.00 0.00 H new ATOM 0 HA SER A 3 17.274 33.003 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.244 29.943 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.908 30.885 -7.572 1.00 0.00 H new ATOM 0 HG SER A 3 15.695 30.293 -7.201 1.00 0.00 H new ATOM 38 N SER A 4 19.165 31.904 -11.079 1.00 0.00 N ATOM 39 CA SER A 4 20.511 31.860 -11.629 1.00 0.00 C ATOM 40 C SER A 4 20.503 32.347 -13.078 1.00 0.00 C ATOM 41 O SER A 4 19.456 32.364 -13.725 1.00 0.00 O ATOM 42 CB SER A 4 21.046 30.427 -11.541 1.00 0.00 C ATOM 43 OG SER A 4 22.351 30.357 -12.074 1.00 0.00 O ATOM 0 H SER A 4 18.433 31.842 -11.786 1.00 0.00 H new ATOM 0 HA SER A 4 21.163 32.518 -11.054 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.052 30.097 -10.502 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.387 29.751 -12.086 1.00 0.00 H new ATOM 0 HG SER A 4 22.991 30.186 -11.351 1.00 0.00 H new ATOM 49 N HIS A 5 21.675 32.740 -13.590 1.00 0.00 N ATOM 50 CA HIS A 5 21.812 33.248 -14.950 1.00 0.00 C ATOM 51 C HIS A 5 23.215 33.027 -15.519 1.00 0.00 C ATOM 52 O HIS A 5 23.461 33.357 -16.680 1.00 0.00 O ATOM 53 CB HIS A 5 21.464 34.738 -14.957 1.00 0.00 C ATOM 54 CG HIS A 5 22.293 35.550 -13.996 1.00 0.00 C ATOM 55 ND1 HIS A 5 23.659 35.815 -14.121 1.00 0.00 N ATOM 56 CD2 HIS A 5 21.815 36.172 -12.879 1.00 0.00 C ATOM 57 CE1 HIS A 5 23.970 36.586 -13.067 1.00 0.00 C ATOM 58 NE2 HIS A 5 22.886 36.817 -12.306 1.00 0.00 N ATOM 0 H HIS A 5 22.552 32.713 -13.069 1.00 0.00 H new ATOM 0 HA HIS A 5 21.126 32.694 -15.591 1.00 0.00 H new ATOM 0 HB2 HIS A 5 21.600 35.131 -15.965 1.00 0.00 H new ATOM 0 HB3 HIS A 5 20.410 34.859 -14.708 1.00 0.00 H new ATOM 0 HD2 HIS A 5 20.798 36.160 -12.517 1.00 0.00 H new ATOM 0 HE1 HIS A 5 24.958 36.969 -12.858 1.00 0.00 H new ATOM 0 HE2 HIS A 5 22.862 37.374 -11.452 1.00 0.00 H new ATOM 66 N HIS A 6 24.145 32.478 -14.724 1.00 0.00 N ATOM 67 CA HIS A 6 25.504 32.228 -15.185 1.00 0.00 C ATOM 68 C HIS A 6 25.543 31.032 -16.138 1.00 0.00 C ATOM 69 O HIS A 6 24.623 30.215 -16.161 1.00 0.00 O ATOM 70 CB HIS A 6 26.442 32.038 -13.992 1.00 0.00 C ATOM 71 CG HIS A 6 26.013 30.963 -13.029 1.00 0.00 C ATOM 72 ND1 HIS A 6 25.984 29.594 -13.302 1.00 0.00 N ATOM 73 CD2 HIS A 6 25.636 31.174 -11.735 1.00 0.00 C ATOM 74 CE1 HIS A 6 25.578 29.014 -12.161 1.00 0.00 C ATOM 75 NE2 HIS A 6 25.362 29.936 -11.206 1.00 0.00 N ATOM 0 H HIS A 6 23.973 32.201 -13.758 1.00 0.00 H new ATOM 0 HA HIS A 6 25.852 33.096 -15.745 1.00 0.00 H new ATOM 0 HB2 HIS A 6 27.439 31.800 -14.363 1.00 0.00 H new ATOM 0 HB3 HIS A 6 26.520 32.982 -13.453 1.00 0.00 H new ATOM 0 HD2 HIS A 6 25.567 32.125 -11.228 1.00 0.00 H new ATOM 0 HE1 HIS A 6 25.443 27.951 -12.028 1.00 0.00 H new ATOM 0 HE2 HIS A 6 25.049 29.749 -10.254 1.00 0.00 H new ATOM 83 N HIS A 7 26.617 30.931 -16.928 1.00 0.00 N ATOM 84 CA HIS A 7 26.747 29.900 -17.951 1.00 0.00 C ATOM 85 C HIS A 7 26.960 28.508 -17.354 1.00 0.00 C ATOM 86 O HIS A 7 26.753 27.508 -18.036 1.00 0.00 O ATOM 87 CB HIS A 7 27.916 30.273 -18.863 1.00 0.00 C ATOM 88 CG HIS A 7 28.082 29.334 -20.030 1.00 0.00 C ATOM 89 ND1 HIS A 7 27.197 29.212 -21.107 1.00 0.00 N ATOM 90 CD2 HIS A 7 29.137 28.488 -20.219 1.00 0.00 C ATOM 91 CE1 HIS A 7 27.743 28.287 -21.915 1.00 0.00 C ATOM 92 NE2 HIS A 7 28.903 27.833 -21.407 1.00 0.00 N ATOM 0 H HIS A 7 27.416 31.562 -16.873 1.00 0.00 H new ATOM 0 HA HIS A 7 25.816 29.853 -18.517 1.00 0.00 H new ATOM 0 HB2 HIS A 7 27.767 31.286 -19.238 1.00 0.00 H new ATOM 0 HB3 HIS A 7 28.836 30.282 -18.278 1.00 0.00 H new ATOM 0 HD2 HIS A 7 29.987 28.358 -19.566 1.00 0.00 H new ATOM 0 HE1 HIS A 7 27.309 27.953 -22.846 1.00 0.00 H new ATOM 0 HE2 HIS A 7 29.505 27.126 -21.829 1.00 0.00 H new ATOM 100 N HIS A 8 27.373 28.427 -16.087 1.00 0.00 N ATOM 101 CA HIS A 8 27.609 27.145 -15.436 1.00 0.00 C ATOM 102 C HIS A 8 26.292 26.477 -15.036 1.00 0.00 C ATOM 103 O HIS A 8 26.284 25.310 -14.645 1.00 0.00 O ATOM 104 CB HIS A 8 28.510 27.355 -14.218 1.00 0.00 C ATOM 105 CG HIS A 8 29.768 28.116 -14.543 1.00 0.00 C ATOM 106 ND1 HIS A 8 30.808 27.654 -15.354 1.00 0.00 N ATOM 107 CD2 HIS A 8 30.084 29.356 -14.066 1.00 0.00 C ATOM 108 CE1 HIS A 8 31.724 28.637 -15.354 1.00 0.00 C ATOM 109 NE2 HIS A 8 31.318 29.670 -14.590 1.00 0.00 N ATOM 0 H HIS A 8 27.550 29.238 -15.494 1.00 0.00 H new ATOM 0 HA HIS A 8 28.108 26.477 -16.139 1.00 0.00 H new ATOM 0 HB2 HIS A 8 27.954 27.893 -13.450 1.00 0.00 H new ATOM 0 HB3 HIS A 8 28.777 26.385 -13.798 1.00 0.00 H new ATOM 0 HD2 HIS A 8 29.485 29.969 -13.408 1.00 0.00 H new ATOM 0 HE1 HIS A 8 32.659 28.604 -15.893 1.00 0.00 H new ATOM 0 HE2 HIS A 8 31.835 30.534 -14.428 1.00 0.00 H new ATOM 117 N HIS A 9 25.175 27.208 -15.131 1.00 0.00 N ATOM 118 CA HIS A 9 23.858 26.678 -14.809 1.00 0.00 C ATOM 119 C HIS A 9 23.359 25.744 -15.912 1.00 0.00 C ATOM 120 O HIS A 9 22.450 24.947 -15.686 1.00 0.00 O ATOM 121 CB HIS A 9 22.899 27.856 -14.633 1.00 0.00 C ATOM 122 CG HIS A 9 21.532 27.443 -14.151 1.00 0.00 C ATOM 123 ND1 HIS A 9 21.248 26.904 -12.895 1.00 0.00 N ATOM 124 CD2 HIS A 9 20.371 27.572 -14.856 1.00 0.00 C ATOM 125 CE1 HIS A 9 19.918 26.711 -12.881 1.00 0.00 C ATOM 126 NE2 HIS A 9 19.367 27.101 -14.044 1.00 0.00 N ATOM 0 H HIS A 9 25.166 28.182 -15.434 1.00 0.00 H new ATOM 0 HA HIS A 9 23.912 26.096 -13.889 1.00 0.00 H new ATOM 0 HB2 HIS A 9 23.329 28.563 -13.923 1.00 0.00 H new ATOM 0 HB3 HIS A 9 22.799 28.380 -15.584 1.00 0.00 H new ATOM 0 HD2 HIS A 9 20.262 27.967 -15.855 1.00 0.00 H new ATOM 0 HE1 HIS A 9 19.367 26.299 -12.049 1.00 0.00 H new ATOM 0 HE2 HIS A 9 18.376 27.055 -14.282 1.00 0.00 H new ATOM 134 N HIS A 10 23.955 25.842 -17.104 1.00 0.00 N ATOM 135 CA HIS A 10 23.597 25.014 -18.248 1.00 0.00 C ATOM 136 C HIS A 10 24.296 23.654 -18.198 1.00 0.00 C ATOM 137 O HIS A 10 24.016 22.786 -19.025 1.00 0.00 O ATOM 138 CB HIS A 10 23.963 25.752 -19.538 1.00 0.00 C ATOM 139 CG HIS A 10 23.295 27.095 -19.672 1.00 0.00 C ATOM 140 ND1 HIS A 10 23.580 28.225 -18.903 1.00 0.00 N ATOM 141 CD2 HIS A 10 22.339 27.413 -20.594 1.00 0.00 C ATOM 142 CE1 HIS A 10 22.775 29.192 -19.371 1.00 0.00 C ATOM 143 NE2 HIS A 10 22.021 28.734 -20.388 1.00 0.00 N ATOM 0 H HIS A 10 24.705 26.505 -17.299 1.00 0.00 H new ATOM 0 HA HIS A 10 22.523 24.830 -18.220 1.00 0.00 H new ATOM 0 HB2 HIS A 10 25.044 25.887 -19.576 1.00 0.00 H new ATOM 0 HB3 HIS A 10 23.689 25.132 -20.392 1.00 0.00 H new ATOM 0 HD2 HIS A 10 21.916 26.755 -21.339 1.00 0.00 H new ATOM 0 HE1 HIS A 10 22.737 30.200 -18.984 1.00 0.00 H new ATOM 0 HE2 HIS A 10 21.333 29.274 -20.914 1.00 0.00 H new ATOM 151 N SER A 11 25.204 23.460 -17.234 1.00 0.00 N ATOM 152 CA SER A 11 25.934 22.206 -17.089 1.00 0.00 C ATOM 153 C SER A 11 25.019 21.084 -16.597 1.00 0.00 C ATOM 154 O SER A 11 23.969 21.342 -16.012 1.00 0.00 O ATOM 155 CB SER A 11 27.103 22.394 -16.125 1.00 0.00 C ATOM 156 OG SER A 11 28.030 23.313 -16.666 1.00 0.00 O ATOM 0 H SER A 11 25.448 24.166 -16.539 1.00 0.00 H new ATOM 0 HA SER A 11 26.317 21.920 -18.069 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.738 22.756 -15.164 1.00 0.00 H new ATOM 0 HB3 SER A 11 27.592 21.437 -15.941 1.00 0.00 H new ATOM 0 HG SER A 11 28.776 23.430 -16.042 1.00 0.00 H new ATOM 162 N SER A 12 25.422 19.834 -16.839 1.00 0.00 N ATOM 163 CA SER A 12 24.661 18.662 -16.429 1.00 0.00 C ATOM 164 C SER A 12 25.588 17.451 -16.301 1.00 0.00 C ATOM 165 O SER A 12 26.694 17.454 -16.842 1.00 0.00 O ATOM 166 CB SER A 12 23.555 18.394 -17.448 1.00 0.00 C ATOM 167 OG SER A 12 22.775 17.283 -17.048 1.00 0.00 O ATOM 0 H SER A 12 26.289 19.611 -17.327 1.00 0.00 H new ATOM 0 HA SER A 12 24.206 18.844 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.921 19.275 -17.546 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.993 18.205 -18.428 1.00 0.00 H new ATOM 0 HG SER A 12 22.069 17.124 -17.709 1.00 0.00 H new ATOM 173 N GLY A 13 25.138 16.417 -15.586 1.00 0.00 N ATOM 174 CA GLY A 13 25.914 15.203 -15.386 1.00 0.00 C ATOM 175 C GLY A 13 25.939 14.334 -16.641 1.00 0.00 C ATOM 176 O GLY A 13 25.195 14.582 -17.591 1.00 0.00 O ATOM 0 H GLY A 13 24.225 16.403 -15.132 1.00 0.00 H new ATOM 0 HA2 GLY A 13 26.934 15.466 -15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.492 14.634 -14.558 1.00 0.00 H new ATOM 180 N LEU A 14 26.797 13.312 -16.641 1.00 0.00 N ATOM 181 CA LEU A 14 26.933 12.391 -17.759 1.00 0.00 C ATOM 182 C LEU A 14 27.448 11.035 -17.266 1.00 0.00 C ATOM 183 O LEU A 14 28.189 10.974 -16.285 1.00 0.00 O ATOM 184 CB LEU A 14 27.867 13.015 -18.806 1.00 0.00 C ATOM 185 CG LEU A 14 28.141 12.102 -20.005 1.00 0.00 C ATOM 186 CD1 LEU A 14 26.863 11.831 -20.797 1.00 0.00 C ATOM 187 CD2 LEU A 14 29.151 12.782 -20.930 1.00 0.00 C ATOM 0 H LEU A 14 27.418 13.103 -15.859 1.00 0.00 H new ATOM 0 HA LEU A 14 25.963 12.215 -18.224 1.00 0.00 H new ATOM 0 HB2 LEU A 14 27.428 13.947 -19.162 1.00 0.00 H new ATOM 0 HB3 LEU A 14 28.814 13.270 -18.330 1.00 0.00 H new ATOM 0 HG LEU A 14 28.530 11.155 -19.631 1.00 0.00 H new ATOM 0 HD11 LEU A 14 27.089 11.180 -21.642 1.00 0.00 H new ATOM 0 HD12 LEU A 14 26.131 11.346 -20.151 1.00 0.00 H new ATOM 0 HD13 LEU A 14 26.456 12.773 -21.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 29.351 12.138 -21.786 1.00 0.00 H new ATOM 0 HD22 LEU A 14 28.744 13.732 -21.278 1.00 0.00 H new ATOM 0 HD23 LEU A 14 30.079 12.962 -20.386 1.00 0.00 H new ATOM 199 N VAL A 15 27.059 9.954 -17.945 1.00 0.00 N ATOM 200 CA VAL A 15 27.483 8.604 -17.594 1.00 0.00 C ATOM 201 C VAL A 15 28.991 8.427 -17.785 1.00 0.00 C ATOM 202 O VAL A 15 29.514 8.824 -18.826 1.00 0.00 O ATOM 203 CB VAL A 15 26.686 7.572 -18.400 1.00 0.00 C ATOM 204 CG1 VAL A 15 26.894 6.161 -17.854 1.00 0.00 C ATOM 205 CG2 VAL A 15 25.188 7.885 -18.373 1.00 0.00 C ATOM 0 H VAL A 15 26.440 9.994 -18.755 1.00 0.00 H new ATOM 0 HA VAL A 15 27.276 8.441 -16.536 1.00 0.00 H new ATOM 0 HB VAL A 15 27.053 7.625 -19.425 1.00 0.00 H new ATOM 0 HG11 VAL A 15 26.316 5.452 -18.447 1.00 0.00 H new ATOM 0 HG12 VAL A 15 27.951 5.902 -17.909 1.00 0.00 H new ATOM 0 HG13 VAL A 15 26.564 6.120 -16.816 1.00 0.00 H new ATOM 0 HG21 VAL A 15 24.649 7.136 -18.953 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.832 7.871 -17.343 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.015 8.871 -18.804 1.00 0.00 H new ATOM 215 N PRO A 16 29.706 7.839 -16.814 1.00 0.00 N ATOM 216 CA PRO A 16 31.155 7.684 -16.864 1.00 0.00 C ATOM 217 C PRO A 16 31.620 6.693 -17.933 1.00 0.00 C ATOM 218 O PRO A 16 32.822 6.516 -18.120 1.00 0.00 O ATOM 219 CB PRO A 16 31.551 7.206 -15.466 1.00 0.00 C ATOM 220 CG PRO A 16 30.310 6.452 -14.992 1.00 0.00 C ATOM 221 CD PRO A 16 29.179 7.296 -15.575 1.00 0.00 C ATOM 0 HA PRO A 16 31.630 8.626 -17.139 1.00 0.00 H new ATOM 0 HB2 PRO A 16 32.428 6.560 -15.495 1.00 0.00 H new ATOM 0 HB3 PRO A 16 31.791 8.041 -14.808 1.00 0.00 H new ATOM 0 HG2 PRO A 16 30.288 5.428 -15.365 1.00 0.00 H new ATOM 0 HG3 PRO A 16 30.258 6.396 -13.905 1.00 0.00 H new ATOM 0 HD2 PRO A 16 28.291 6.691 -15.757 1.00 0.00 H new ATOM 0 HD3 PRO A 16 28.888 8.092 -14.889 1.00 0.00 H new ATOM 229 N ARG A 17 30.687 6.044 -18.642 1.00 0.00 N ATOM 230 CA ARG A 17 31.012 5.093 -19.699 1.00 0.00 C ATOM 231 C ARG A 17 30.026 5.159 -20.868 1.00 0.00 C ATOM 232 O ARG A 17 29.914 4.215 -21.649 1.00 0.00 O ATOM 233 CB ARG A 17 31.194 3.681 -19.125 1.00 0.00 C ATOM 234 CG ARG A 17 30.059 3.200 -18.213 1.00 0.00 C ATOM 235 CD ARG A 17 28.735 2.994 -18.952 1.00 0.00 C ATOM 236 NE ARG A 17 27.757 2.327 -18.081 1.00 0.00 N ATOM 237 CZ ARG A 17 26.438 2.307 -18.289 1.00 0.00 C ATOM 238 NH1 ARG A 17 25.901 2.917 -19.342 1.00 0.00 N ATOM 239 NH2 ARG A 17 25.642 1.671 -17.435 1.00 0.00 N ATOM 0 H ARG A 17 29.685 6.168 -18.494 1.00 0.00 H new ATOM 0 HA ARG A 17 31.972 5.381 -20.128 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.297 2.979 -19.953 1.00 0.00 H new ATOM 0 HB3 ARG A 17 32.128 3.651 -18.564 1.00 0.00 H new ATOM 0 HG2 ARG A 17 30.354 2.262 -17.741 1.00 0.00 H new ATOM 0 HG3 ARG A 17 29.912 3.926 -17.414 1.00 0.00 H new ATOM 0 HD2 ARG A 17 28.342 3.956 -19.280 1.00 0.00 H new ATOM 0 HD3 ARG A 17 28.901 2.395 -19.848 1.00 0.00 H new ATOM 0 HE ARG A 17 28.112 1.843 -17.256 1.00 0.00 H new ATOM 0 HH11 ARG A 17 26.499 3.410 -20.006 1.00 0.00 H new ATOM 0 HH12 ARG A 17 24.892 2.892 -19.486 1.00 0.00 H new ATOM 0 HH21 ARG A 17 26.039 1.199 -16.622 1.00 0.00 H new ATOM 0 HH22 ARG A 17 24.634 1.655 -17.592 1.00 0.00 H new ATOM 253 N GLY A 18 29.309 6.282 -20.984 1.00 0.00 N ATOM 254 CA GLY A 18 28.364 6.516 -22.067 1.00 0.00 C ATOM 255 C GLY A 18 27.110 5.655 -21.941 1.00 0.00 C ATOM 256 O GLY A 18 26.987 4.848 -21.021 1.00 0.00 O ATOM 0 H GLY A 18 29.373 7.055 -20.322 1.00 0.00 H new ATOM 0 HA2 GLY A 18 28.080 7.568 -22.076 1.00 0.00 H new ATOM 0 HA3 GLY A 18 28.850 6.309 -23.021 1.00 0.00 H new ATOM 260 N SER A 19 26.169 5.827 -22.874 1.00 0.00 N ATOM 261 CA SER A 19 24.928 5.067 -22.895 1.00 0.00 C ATOM 262 C SER A 19 24.327 5.065 -24.299 1.00 0.00 C ATOM 263 O SER A 19 24.623 5.950 -25.104 1.00 0.00 O ATOM 264 CB SER A 19 23.941 5.661 -21.887 1.00 0.00 C ATOM 265 OG SER A 19 22.711 4.972 -21.950 1.00 0.00 O ATOM 0 H SER A 19 26.252 6.500 -23.636 1.00 0.00 H new ATOM 0 HA SER A 19 25.139 4.035 -22.615 1.00 0.00 H new ATOM 0 HB2 SER A 19 24.353 5.594 -20.880 1.00 0.00 H new ATOM 0 HB3 SER A 19 23.786 6.719 -22.098 1.00 0.00 H new ATOM 0 HG SER A 19 22.086 5.358 -21.301 1.00 0.00 H new ATOM 271 N HIS A 20 23.483 4.072 -24.593 1.00 0.00 N ATOM 272 CA HIS A 20 22.807 3.968 -25.880 1.00 0.00 C ATOM 273 C HIS A 20 21.811 5.111 -26.058 1.00 0.00 C ATOM 274 O HIS A 20 21.662 5.626 -27.167 1.00 0.00 O ATOM 275 CB HIS A 20 22.110 2.608 -25.949 1.00 0.00 C ATOM 276 CG HIS A 20 21.115 2.489 -27.071 1.00 0.00 C ATOM 277 ND1 HIS A 20 19.727 2.407 -26.914 1.00 0.00 N ATOM 278 CD2 HIS A 20 21.421 2.449 -28.401 1.00 0.00 C ATOM 279 CE1 HIS A 20 19.236 2.330 -28.161 1.00 0.00 C ATOM 280 NE2 HIS A 20 20.225 2.349 -29.070 1.00 0.00 N ATOM 0 H HIS A 20 23.252 3.320 -23.943 1.00 0.00 H new ATOM 0 HA HIS A 20 23.531 4.045 -26.691 1.00 0.00 H new ATOM 0 HB2 HIS A 20 22.864 1.829 -26.062 1.00 0.00 H new ATOM 0 HB3 HIS A 20 21.600 2.424 -25.003 1.00 0.00 H new ATOM 0 HD2 HIS A 20 22.407 2.488 -28.840 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.185 2.262 -28.402 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.108 2.298 -30.082 1.00 0.00 H new ATOM 288 N MET A 21 21.141 5.493 -24.963 1.00 0.00 N ATOM 289 CA MET A 21 20.109 6.524 -24.920 1.00 0.00 C ATOM 290 C MET A 21 18.940 6.257 -25.871 1.00 0.00 C ATOM 291 O MET A 21 19.065 5.549 -26.869 1.00 0.00 O ATOM 292 CB MET A 21 20.728 7.907 -25.146 1.00 0.00 C ATOM 293 CG MET A 21 21.759 8.211 -24.057 1.00 0.00 C ATOM 294 SD MET A 21 22.568 9.824 -24.223 1.00 0.00 S ATOM 295 CE MET A 21 23.481 9.564 -25.762 1.00 0.00 C ATOM 0 H MET A 21 21.314 5.073 -24.050 1.00 0.00 H new ATOM 0 HA MET A 21 19.674 6.497 -23.921 1.00 0.00 H new ATOM 0 HB2 MET A 21 21.203 7.945 -26.127 1.00 0.00 H new ATOM 0 HB3 MET A 21 19.947 8.668 -25.140 1.00 0.00 H new ATOM 0 HG2 MET A 21 21.268 8.162 -23.085 1.00 0.00 H new ATOM 0 HG3 MET A 21 22.522 7.432 -24.068 1.00 0.00 H new ATOM 0 HE1 MET A 21 24.222 10.354 -25.884 1.00 0.00 H new ATOM 0 HE2 MET A 21 23.984 8.597 -25.728 1.00 0.00 H new ATOM 0 HE3 MET A 21 22.789 9.583 -26.604 1.00 0.00 H new ATOM 305 N GLN A 22 17.776 6.833 -25.560 1.00 0.00 N ATOM 306 CA GLN A 22 16.575 6.652 -26.357 1.00 0.00 C ATOM 307 C GLN A 22 15.991 8.006 -26.742 1.00 0.00 C ATOM 308 O GLN A 22 16.173 8.992 -26.030 1.00 0.00 O ATOM 309 CB GLN A 22 15.551 5.774 -25.632 1.00 0.00 C ATOM 310 CG GLN A 22 16.104 4.369 -25.386 1.00 0.00 C ATOM 311 CD GLN A 22 17.073 4.319 -24.206 1.00 0.00 C ATOM 312 OE1 GLN A 22 16.834 4.937 -23.169 1.00 0.00 O ATOM 313 NE2 GLN A 22 18.169 3.583 -24.353 1.00 0.00 N ATOM 0 H GLN A 22 17.647 7.436 -24.748 1.00 0.00 H new ATOM 0 HA GLN A 22 16.843 6.128 -27.274 1.00 0.00 H new ATOM 0 HB2 GLN A 22 15.282 6.234 -24.681 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.638 5.710 -26.224 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.277 3.684 -25.202 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.613 4.020 -26.285 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.335 3.084 -25.227 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.845 3.517 -23.592 1.00 0.00 H new ATOM 322 N LYS A 23 15.289 8.042 -27.878 1.00 0.00 N ATOM 323 CA LYS A 23 14.788 9.274 -28.471 1.00 0.00 C ATOM 324 C LYS A 23 13.365 9.067 -28.975 1.00 0.00 C ATOM 325 O LYS A 23 12.942 7.937 -29.206 1.00 0.00 O ATOM 326 CB LYS A 23 15.706 9.734 -29.616 1.00 0.00 C ATOM 327 CG LYS A 23 17.194 9.784 -29.236 1.00 0.00 C ATOM 328 CD LYS A 23 17.899 8.448 -29.487 1.00 0.00 C ATOM 329 CE LYS A 23 19.346 8.517 -28.997 1.00 0.00 C ATOM 330 NZ LYS A 23 20.018 7.210 -29.134 1.00 0.00 N ATOM 0 H LYS A 23 15.053 7.206 -28.413 1.00 0.00 H new ATOM 0 HA LYS A 23 14.780 10.053 -27.709 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.580 9.060 -30.464 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.391 10.724 -29.946 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.688 10.567 -29.811 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.290 10.052 -28.184 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.370 7.646 -28.971 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.878 8.211 -30.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.890 9.270 -29.567 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.365 8.831 -27.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 21.049 7.345 -29.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.731 6.588 -28.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.749 6.774 -30.039 1.00 0.00 H new ATOM 344 N GLU A 24 12.629 10.164 -29.141 1.00 0.00 N ATOM 345 CA GLU A 24 11.236 10.111 -29.552 1.00 0.00 C ATOM 346 C GLU A 24 10.958 11.115 -30.666 1.00 0.00 C ATOM 347 O GLU A 24 11.643 12.130 -30.787 1.00 0.00 O ATOM 348 CB GLU A 24 10.329 10.408 -28.362 1.00 0.00 C ATOM 349 CG GLU A 24 10.595 9.462 -27.189 1.00 0.00 C ATOM 350 CD GLU A 24 9.601 9.673 -26.044 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.772 10.606 -26.142 1.00 0.00 O ATOM 352 OE2 GLU A 24 9.673 8.895 -25.067 1.00 0.00 O ATOM 0 H GLU A 24 12.984 11.109 -28.994 1.00 0.00 H new ATOM 0 HA GLU A 24 11.031 9.108 -29.927 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.480 11.438 -28.039 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.287 10.320 -28.669 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.535 8.430 -27.535 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.609 9.617 -26.821 1.00 0.00 H new ATOM 359 N GLY A 25 9.942 10.822 -31.478 1.00 0.00 N ATOM 360 CA GLY A 25 9.487 11.714 -32.529 1.00 0.00 C ATOM 361 C GLY A 25 8.321 12.570 -32.044 1.00 0.00 C ATOM 362 O GLY A 25 8.065 12.643 -30.840 1.00 0.00 O ATOM 0 H GLY A 25 9.412 9.952 -31.419 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.308 12.356 -32.848 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.181 11.133 -33.399 1.00 0.00 H new ATOM 366 N PRO A 26 7.602 13.222 -32.966 1.00 0.00 N ATOM 367 CA PRO A 26 6.415 13.996 -32.653 1.00 0.00 C ATOM 368 C PRO A 26 5.309 13.057 -32.173 1.00 0.00 C ATOM 369 O PRO A 26 5.416 11.840 -32.313 1.00 0.00 O ATOM 370 CB PRO A 26 6.041 14.696 -33.960 1.00 0.00 C ATOM 371 CG PRO A 26 6.595 13.763 -35.037 1.00 0.00 C ATOM 372 CD PRO A 26 7.875 13.234 -34.391 1.00 0.00 C ATOM 0 HA PRO A 26 6.573 14.723 -31.856 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.962 14.821 -34.054 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.484 15.690 -34.024 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.898 12.959 -35.275 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.799 14.293 -35.967 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.116 12.235 -34.755 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.727 13.873 -34.624 1.00 0.00 H new ATOM 380 N GLU A 27 4.239 13.610 -31.604 1.00 0.00 N ATOM 381 CA GLU A 27 3.143 12.788 -31.117 1.00 0.00 C ATOM 382 C GLU A 27 2.474 12.057 -32.284 1.00 0.00 C ATOM 383 O GLU A 27 2.272 12.634 -33.351 1.00 0.00 O ATOM 384 CB GLU A 27 2.156 13.655 -30.330 1.00 0.00 C ATOM 385 CG GLU A 27 0.912 12.895 -29.850 1.00 0.00 C ATOM 386 CD GLU A 27 1.209 11.804 -28.820 1.00 0.00 C ATOM 387 OE1 GLU A 27 0.221 11.246 -28.293 1.00 0.00 O ATOM 388 OE2 GLU A 27 2.399 11.525 -28.558 1.00 0.00 O ATOM 0 H GLU A 27 4.112 14.613 -31.472 1.00 0.00 H new ATOM 0 HA GLU A 27 3.525 12.026 -30.437 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.668 14.079 -29.466 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.841 14.490 -30.955 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.208 13.606 -29.418 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.420 12.443 -30.711 1.00 0.00 H new ATOM 395 N GLY A 28 2.134 10.785 -32.069 1.00 0.00 N ATOM 396 CA GLY A 28 1.524 9.950 -33.091 1.00 0.00 C ATOM 397 C GLY A 28 2.567 9.260 -33.971 1.00 0.00 C ATOM 398 O GLY A 28 2.203 8.506 -34.869 1.00 0.00 O ATOM 0 H GLY A 28 2.276 10.309 -31.178 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.897 9.196 -32.615 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.871 10.561 -33.715 1.00 0.00 H new ATOM 402 N ALA A 29 3.855 9.510 -33.714 1.00 0.00 N ATOM 403 CA ALA A 29 4.954 8.954 -34.496 1.00 0.00 C ATOM 404 C ALA A 29 5.783 7.945 -33.695 1.00 0.00 C ATOM 405 O ALA A 29 6.933 7.685 -34.042 1.00 0.00 O ATOM 406 CB ALA A 29 5.818 10.094 -35.033 1.00 0.00 C ATOM 0 H ALA A 29 4.162 10.110 -32.949 1.00 0.00 H new ATOM 0 HA ALA A 29 4.535 8.398 -35.335 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.641 9.683 -35.618 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.212 10.743 -35.665 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.219 10.671 -34.199 1.00 0.00 H new ATOM 412 N ASN A 30 5.215 7.373 -32.629 1.00 0.00 N ATOM 413 CA ASN A 30 5.929 6.449 -31.757 1.00 0.00 C ATOM 414 C ASN A 30 5.148 5.145 -31.654 1.00 0.00 C ATOM 415 O ASN A 30 3.924 5.173 -31.526 1.00 0.00 O ATOM 416 CB ASN A 30 6.143 7.101 -30.387 1.00 0.00 C ATOM 417 CG ASN A 30 6.900 8.420 -30.509 1.00 0.00 C ATOM 418 OD1 ASN A 30 8.086 8.436 -30.816 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.222 9.536 -30.267 1.00 0.00 N ATOM 0 H ASN A 30 4.248 7.540 -32.351 1.00 0.00 H new ATOM 0 HA ASN A 30 6.911 6.217 -32.170 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.178 7.276 -29.911 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.698 6.420 -29.741 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.688 10.441 -30.335 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.235 9.488 -30.014 1.00 0.00 H new ATOM 426 N LEU A 31 5.839 4.003 -31.710 1.00 0.00 N ATOM 427 CA LEU A 31 5.183 2.706 -31.804 1.00 0.00 C ATOM 428 C LEU A 31 5.550 1.752 -30.674 1.00 0.00 C ATOM 429 O LEU A 31 6.548 1.917 -29.976 1.00 0.00 O ATOM 430 CB LEU A 31 5.532 2.026 -33.131 1.00 0.00 C ATOM 431 CG LEU A 31 5.156 2.836 -34.370 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.409 1.956 -35.592 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.683 3.218 -34.354 1.00 0.00 C ATOM 0 H LEU A 31 6.858 3.956 -31.691 1.00 0.00 H new ATOM 0 HA LEU A 31 4.115 2.915 -31.734 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.603 1.827 -33.153 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.027 1.061 -33.175 1.00 0.00 H new ATOM 0 HG LEU A 31 5.750 3.750 -34.393 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.150 2.506 -36.497 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.462 1.676 -35.627 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.796 1.057 -35.526 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.447 3.794 -35.249 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.073 2.315 -34.332 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.473 3.819 -33.470 1.00 0.00 H new ATOM 445 N PHE A 32 4.696 0.738 -30.528 1.00 0.00 N ATOM 446 CA PHE A 32 4.867 -0.394 -29.641 1.00 0.00 C ATOM 447 C PHE A 32 4.920 -1.743 -30.341 1.00 0.00 C ATOM 448 O PHE A 32 4.221 -1.948 -31.326 1.00 0.00 O ATOM 449 CB PHE A 32 3.850 -0.384 -28.510 1.00 0.00 C ATOM 450 CG PHE A 32 4.226 0.489 -27.341 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.679 -0.113 -26.165 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.119 1.883 -27.428 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.016 0.673 -25.059 1.00 0.00 C ATOM 454 CE2 PHE A 32 4.477 2.677 -26.329 1.00 0.00 C ATOM 455 CZ PHE A 32 4.919 2.072 -25.141 1.00 0.00 C ATOM 0 H PHE A 32 3.825 0.690 -31.056 1.00 0.00 H new ATOM 0 HA PHE A 32 5.858 -0.264 -29.207 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.890 -0.049 -28.904 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.710 -1.405 -28.155 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.769 -1.188 -26.110 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.762 2.344 -28.337 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.350 0.206 -24.144 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.413 3.753 -26.396 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.184 2.682 -24.290 1.00 0.00 H new ATOM 465 N ILE A 33 5.746 -2.659 -29.829 1.00 0.00 N ATOM 466 CA ILE A 33 5.891 -3.986 -30.402 1.00 0.00 C ATOM 467 C ILE A 33 5.967 -4.997 -29.264 1.00 0.00 C ATOM 468 O ILE A 33 6.757 -4.814 -28.342 1.00 0.00 O ATOM 469 CB ILE A 33 7.145 -4.059 -31.287 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.232 -2.939 -32.337 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.159 -5.404 -32.018 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.900 -1.670 -31.798 1.00 0.00 C ATOM 0 H ILE A 33 6.329 -2.496 -29.008 1.00 0.00 H new ATOM 0 HA ILE A 33 5.033 -4.213 -31.035 1.00 0.00 H new ATOM 0 HB ILE A 33 8.000 -3.942 -30.621 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.791 -3.300 -33.201 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.228 -2.696 -32.686 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.046 -5.466 -32.649 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.175 -6.214 -31.289 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.266 -5.491 -32.637 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.933 -0.915 -32.583 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.328 -1.289 -30.952 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.915 -1.902 -31.475 1.00 0.00 H new ATOM 484 N TYR A 34 5.158 -6.055 -29.320 1.00 0.00 N ATOM 485 CA TYR A 34 5.107 -7.067 -28.271 1.00 0.00 C ATOM 486 C TYR A 34 5.106 -8.437 -28.954 1.00 0.00 C ATOM 487 O TYR A 34 5.120 -8.536 -30.179 1.00 0.00 O ATOM 488 CB TYR A 34 3.805 -6.892 -27.480 1.00 0.00 C ATOM 489 CG TYR A 34 3.414 -5.472 -27.125 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.869 -4.886 -25.936 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.569 -4.748 -27.979 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.455 -3.593 -25.581 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.130 -3.464 -27.618 1.00 0.00 C ATOM 494 CZ TYR A 34 2.560 -2.889 -26.408 1.00 0.00 C ATOM 495 OH TYR A 34 2.109 -1.657 -26.034 1.00 0.00 O ATOM 0 H TYR A 34 4.520 -6.232 -30.096 1.00 0.00 H new ATOM 0 HA TYR A 34 5.956 -6.976 -27.594 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.993 -7.335 -28.057 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.888 -7.464 -26.556 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.541 -5.432 -25.290 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.255 -5.180 -28.918 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.823 -3.138 -24.673 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.463 -2.918 -28.269 1.00 0.00 H new ATOM 0 HH TYR A 34 2.777 -0.979 -26.269 1.00 0.00 H new ATOM 505 N HIS A 35 5.085 -9.496 -28.135 1.00 0.00 N ATOM 506 CA HIS A 35 5.131 -10.896 -28.559 1.00 0.00 C ATOM 507 C HIS A 35 6.438 -11.273 -29.263 1.00 0.00 C ATOM 508 O HIS A 35 6.496 -12.295 -29.948 1.00 0.00 O ATOM 509 CB HIS A 35 3.910 -11.268 -29.408 1.00 0.00 C ATOM 510 CG HIS A 35 2.565 -10.915 -28.831 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.354 -11.116 -29.465 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.298 -10.361 -27.611 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.373 -10.707 -28.644 1.00 0.00 C ATOM 514 NE2 HIS A 35 0.925 -10.241 -27.510 1.00 0.00 N ATOM 0 H HIS A 35 5.034 -9.395 -27.121 1.00 0.00 H new ATOM 0 HA HIS A 35 5.099 -11.487 -27.644 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.005 -10.779 -30.378 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.933 -12.343 -29.589 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.227 -11.508 -30.398 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.024 -10.071 -26.865 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.685 -10.746 -28.859 1.00 0.00 H new ATOM 523 N LEU A 36 7.485 -10.460 -29.111 1.00 0.00 N ATOM 524 CA LEU A 36 8.778 -10.714 -29.734 1.00 0.00 C ATOM 525 C LEU A 36 9.438 -11.951 -29.113 1.00 0.00 C ATOM 526 O LEU A 36 9.320 -12.170 -27.908 1.00 0.00 O ATOM 527 CB LEU A 36 9.692 -9.498 -29.544 1.00 0.00 C ATOM 528 CG LEU A 36 9.173 -8.263 -30.280 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.981 -7.044 -29.843 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.330 -8.431 -31.788 1.00 0.00 C ATOM 0 H LEU A 36 7.457 -9.608 -28.552 1.00 0.00 H new ATOM 0 HA LEU A 36 8.623 -10.893 -30.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.780 -9.275 -28.481 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.693 -9.739 -29.903 1.00 0.00 H new ATOM 0 HG LEU A 36 8.118 -8.133 -30.040 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.616 -6.159 -30.365 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.873 -6.902 -28.768 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.033 -7.199 -30.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.955 -7.542 -32.294 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.384 -8.570 -32.031 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.764 -9.302 -32.118 1.00 0.00 H new ATOM 542 N PRO A 37 10.132 -12.763 -29.922 1.00 0.00 N ATOM 543 CA PRO A 37 10.878 -13.919 -29.459 1.00 0.00 C ATOM 544 C PRO A 37 12.187 -13.494 -28.790 1.00 0.00 C ATOM 545 O PRO A 37 12.568 -12.326 -28.826 1.00 0.00 O ATOM 546 CB PRO A 37 11.131 -14.749 -30.718 1.00 0.00 C ATOM 547 CG PRO A 37 11.260 -13.676 -31.794 1.00 0.00 C ATOM 548 CD PRO A 37 10.242 -12.625 -31.362 1.00 0.00 C ATOM 0 HA PRO A 37 10.335 -14.488 -28.704 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.036 -15.351 -30.633 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.310 -15.435 -30.924 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.269 -13.266 -31.835 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.036 -14.070 -32.785 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.572 -11.623 -31.636 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.279 -12.788 -31.847 1.00 0.00 H new ATOM 556 N GLN A 38 12.883 -14.454 -28.174 1.00 0.00 N ATOM 557 CA GLN A 38 14.120 -14.220 -27.443 1.00 0.00 C ATOM 558 C GLN A 38 15.283 -13.838 -28.367 1.00 0.00 C ATOM 559 O GLN A 38 16.257 -13.237 -27.914 1.00 0.00 O ATOM 560 CB GLN A 38 14.433 -15.495 -26.645 1.00 0.00 C ATOM 561 CG GLN A 38 15.866 -15.559 -26.097 1.00 0.00 C ATOM 562 CD GLN A 38 16.203 -14.432 -25.128 1.00 0.00 C ATOM 563 OE1 GLN A 38 15.325 -13.731 -24.629 1.00 0.00 O ATOM 564 NE2 GLN A 38 17.492 -14.244 -24.853 1.00 0.00 N ATOM 0 H GLN A 38 12.592 -15.432 -28.173 1.00 0.00 H new ATOM 0 HA GLN A 38 13.991 -13.370 -26.772 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.734 -15.570 -25.812 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.261 -16.361 -27.284 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.010 -16.515 -25.593 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.566 -15.530 -26.932 1.00 0.00 H new ATOM 0 HE21 GLN A 38 18.198 -14.842 -25.283 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.774 -13.502 -24.213 1.00 0.00 H new ATOM 573 N GLU A 39 15.193 -14.176 -29.655 1.00 0.00 N ATOM 574 CA GLU A 39 16.270 -13.903 -30.596 1.00 0.00 C ATOM 575 C GLU A 39 16.335 -12.427 -30.997 1.00 0.00 C ATOM 576 O GLU A 39 17.267 -12.027 -31.690 1.00 0.00 O ATOM 577 CB GLU A 39 16.131 -14.823 -31.813 1.00 0.00 C ATOM 578 CG GLU A 39 14.792 -14.626 -32.530 1.00 0.00 C ATOM 579 CD GLU A 39 14.603 -15.607 -33.685 1.00 0.00 C ATOM 580 OE1 GLU A 39 13.496 -15.601 -34.268 1.00 0.00 O ATOM 581 OE2 GLU A 39 15.556 -16.362 -33.986 1.00 0.00 O ATOM 0 H GLU A 39 14.383 -14.639 -30.066 1.00 0.00 H new ATOM 0 HA GLU A 39 17.218 -14.115 -30.102 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.947 -14.629 -32.509 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.223 -15.862 -31.495 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.978 -14.749 -31.815 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.732 -13.606 -32.909 1.00 0.00 H new ATOM 588 N PHE A 40 15.359 -11.612 -30.573 1.00 0.00 N ATOM 589 CA PHE A 40 15.375 -10.174 -30.809 1.00 0.00 C ATOM 590 C PHE A 40 16.267 -9.343 -29.896 1.00 0.00 C ATOM 591 O PHE A 40 16.616 -9.768 -28.794 1.00 0.00 O ATOM 592 CB PHE A 40 13.970 -9.582 -30.948 1.00 0.00 C ATOM 593 CG PHE A 40 13.346 -9.749 -32.317 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.273 -11.013 -32.915 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.842 -8.630 -33.000 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.698 -11.165 -34.186 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.256 -8.781 -34.267 1.00 0.00 C ATOM 598 CZ PHE A 40 12.186 -10.049 -34.859 1.00 0.00 C ATOM 0 H PHE A 40 14.541 -11.937 -30.058 1.00 0.00 H new ATOM 0 HA PHE A 40 15.870 -10.095 -31.777 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.319 -10.048 -30.208 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.013 -8.519 -30.711 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.662 -11.876 -32.395 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.905 -7.651 -32.549 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.650 -12.142 -34.645 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.859 -7.920 -34.785 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.737 -10.166 -35.834 1.00 0.00 H new ATOM 608 N GLY A 41 16.633 -8.152 -30.372 1.00 0.00 N ATOM 609 CA GLY A 41 17.435 -7.198 -29.632 1.00 0.00 C ATOM 610 C GLY A 41 17.202 -5.796 -30.187 1.00 0.00 C ATOM 611 O GLY A 41 16.498 -5.629 -31.181 1.00 0.00 O ATOM 0 H GLY A 41 16.371 -7.825 -31.302 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.173 -7.230 -28.574 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.491 -7.459 -29.707 1.00 0.00 H new ATOM 615 N ASP A 42 17.788 -4.780 -29.554 1.00 0.00 N ATOM 616 CA ASP A 42 17.564 -3.401 -29.963 1.00 0.00 C ATOM 617 C ASP A 42 18.019 -3.072 -31.381 1.00 0.00 C ATOM 618 O ASP A 42 17.371 -2.294 -32.078 1.00 0.00 O ATOM 619 CB ASP A 42 18.132 -2.408 -28.947 1.00 0.00 C ATOM 620 CG ASP A 42 19.523 -2.757 -28.416 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.210 -3.610 -29.024 1.00 0.00 O ATOM 622 OD2 ASP A 42 19.885 -2.149 -27.385 1.00 0.00 O ATOM 0 H ASP A 42 18.418 -4.889 -28.760 1.00 0.00 H new ATOM 0 HA ASP A 42 16.480 -3.292 -29.983 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.172 -1.421 -29.408 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.444 -2.339 -28.104 1.00 0.00 H new ATOM 627 N GLN A 43 19.132 -3.667 -31.803 1.00 0.00 N ATOM 628 CA GLN A 43 19.632 -3.512 -33.162 1.00 0.00 C ATOM 629 C GLN A 43 18.798 -4.335 -34.142 1.00 0.00 C ATOM 630 O GLN A 43 18.640 -3.950 -35.298 1.00 0.00 O ATOM 631 CB GLN A 43 21.094 -3.960 -33.193 1.00 0.00 C ATOM 632 CG GLN A 43 21.716 -3.826 -34.587 1.00 0.00 C ATOM 633 CD GLN A 43 21.725 -2.384 -35.100 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.602 -2.150 -36.300 1.00 0.00 O ATOM 635 NE2 GLN A 43 21.873 -1.408 -34.207 1.00 0.00 N ATOM 0 H GLN A 43 19.709 -4.267 -31.214 1.00 0.00 H new ATOM 0 HA GLN A 43 19.558 -2.467 -33.464 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.669 -3.365 -32.483 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.160 -4.998 -32.867 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.738 -4.203 -34.561 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.163 -4.452 -35.288 1.00 0.00 H new ATOM 0 HE21 GLN A 43 21.973 -1.633 -33.217 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.887 -0.435 -34.513 1.00 0.00 H new ATOM 644 N ASP A 44 18.262 -5.466 -33.688 1.00 0.00 N ATOM 645 CA ASP A 44 17.458 -6.329 -34.539 1.00 0.00 C ATOM 646 C ASP A 44 16.065 -5.785 -34.850 1.00 0.00 C ATOM 647 O ASP A 44 15.582 -5.937 -35.972 1.00 0.00 O ATOM 648 CB ASP A 44 17.393 -7.746 -33.970 1.00 0.00 C ATOM 649 CG ASP A 44 18.719 -8.493 -34.101 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.758 -9.658 -33.645 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.682 -7.914 -34.649 1.00 0.00 O ATOM 0 H ASP A 44 18.373 -5.804 -32.732 1.00 0.00 H new ATOM 0 HA ASP A 44 17.970 -6.358 -35.501 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.109 -7.699 -32.919 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.613 -8.305 -34.486 1.00 0.00 H new ATOM 656 N ILE A 45 15.421 -5.149 -33.868 1.00 0.00 N ATOM 657 CA ILE A 45 14.126 -4.520 -34.094 1.00 0.00 C ATOM 658 C ILE A 45 14.334 -3.211 -34.853 1.00 0.00 C ATOM 659 O ILE A 45 13.430 -2.745 -35.541 1.00 0.00 O ATOM 660 CB ILE A 45 13.421 -4.296 -32.751 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.952 -3.933 -32.997 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.110 -3.202 -31.938 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.176 -3.854 -31.680 1.00 0.00 C ATOM 0 H ILE A 45 15.776 -5.059 -32.916 1.00 0.00 H new ATOM 0 HA ILE A 45 13.488 -5.166 -34.697 1.00 0.00 H new ATOM 0 HB ILE A 45 13.475 -5.219 -32.174 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.893 -2.976 -33.516 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.494 -4.678 -33.648 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.586 -3.067 -30.992 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.143 -3.490 -31.743 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.093 -2.267 -32.498 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.137 -3.595 -31.885 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.217 -4.819 -31.175 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.621 -3.091 -31.041 1.00 0.00 H new ATOM 675 N LEU A 46 15.525 -2.615 -34.734 1.00 0.00 N ATOM 676 CA LEU A 46 15.874 -1.410 -35.467 1.00 0.00 C ATOM 677 C LEU A 46 15.952 -1.733 -36.956 1.00 0.00 C ATOM 678 O LEU A 46 15.308 -1.072 -37.769 1.00 0.00 O ATOM 679 CB LEU A 46 17.201 -0.875 -34.898 1.00 0.00 C ATOM 680 CG LEU A 46 17.810 0.348 -35.591 1.00 0.00 C ATOM 681 CD1 LEU A 46 18.528 -0.019 -36.888 1.00 0.00 C ATOM 682 CD2 LEU A 46 16.771 1.436 -35.855 1.00 0.00 C ATOM 0 H LEU A 46 16.268 -2.960 -34.126 1.00 0.00 H new ATOM 0 HA LEU A 46 15.119 -0.632 -35.353 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.044 -0.627 -33.848 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.933 -1.682 -34.929 1.00 0.00 H new ATOM 0 HG LEU A 46 18.550 0.746 -34.897 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.942 0.881 -37.342 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.334 -0.720 -36.672 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.821 -0.480 -37.577 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.248 2.283 -36.347 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.984 1.040 -36.497 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.338 1.763 -34.910 1.00 0.00 H new ATOM 694 N GLN A 47 16.735 -2.753 -37.320 1.00 0.00 N ATOM 695 CA GLN A 47 16.915 -3.128 -38.716 1.00 0.00 C ATOM 696 C GLN A 47 15.618 -3.655 -39.324 1.00 0.00 C ATOM 697 O GLN A 47 15.441 -3.613 -40.538 1.00 0.00 O ATOM 698 CB GLN A 47 18.012 -4.189 -38.808 1.00 0.00 C ATOM 699 CG GLN A 47 19.370 -3.609 -38.408 1.00 0.00 C ATOM 700 CD GLN A 47 19.999 -2.766 -39.516 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.577 -2.803 -40.666 1.00 0.00 O ATOM 702 NE2 GLN A 47 21.026 -1.992 -39.171 1.00 0.00 N ATOM 0 H GLN A 47 17.254 -3.333 -36.660 1.00 0.00 H new ATOM 0 HA GLN A 47 17.205 -2.243 -39.282 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.766 -5.029 -38.159 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.064 -4.577 -39.825 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.250 -2.997 -37.514 1.00 0.00 H new ATOM 0 HG3 GLN A 47 20.046 -4.423 -38.148 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.355 -1.982 -38.206 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.483 -1.409 -39.872 1.00 0.00 H new ATOM 711 N MET A 48 14.706 -4.153 -38.480 1.00 0.00 N ATOM 712 CA MET A 48 13.415 -4.650 -38.924 1.00 0.00 C ATOM 713 C MET A 48 12.473 -3.492 -39.262 1.00 0.00 C ATOM 714 O MET A 48 11.604 -3.642 -40.118 1.00 0.00 O ATOM 715 CB MET A 48 12.829 -5.529 -37.817 1.00 0.00 C ATOM 716 CG MET A 48 11.438 -6.053 -38.168 1.00 0.00 C ATOM 717 SD MET A 48 11.383 -7.240 -39.537 1.00 0.00 S ATOM 718 CE MET A 48 12.133 -8.679 -38.729 1.00 0.00 C ATOM 0 H MET A 48 14.850 -4.219 -37.472 1.00 0.00 H new ATOM 0 HA MET A 48 13.538 -5.239 -39.833 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.496 -6.371 -37.633 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.776 -4.956 -36.891 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.011 -6.524 -37.283 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.800 -5.205 -38.418 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.018 -9.555 -39.367 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.193 -8.490 -38.559 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.639 -8.859 -37.774 1.00 0.00 H new ATOM 728 N PHE A 49 12.649 -2.348 -38.592 1.00 0.00 N ATOM 729 CA PHE A 49 11.787 -1.186 -38.764 1.00 0.00 C ATOM 730 C PHE A 49 12.307 -0.028 -39.622 1.00 0.00 C ATOM 731 O PHE A 49 11.554 0.898 -39.927 1.00 0.00 O ATOM 732 CB PHE A 49 11.148 -0.751 -37.441 1.00 0.00 C ATOM 733 CG PHE A 49 9.995 -1.619 -36.982 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.688 -1.109 -36.986 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.222 -2.935 -36.547 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.613 -1.913 -36.579 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.149 -3.732 -36.129 1.00 0.00 C ATOM 738 CZ PHE A 49 7.842 -3.226 -36.149 1.00 0.00 C ATOM 0 H PHE A 49 13.398 -2.207 -37.914 1.00 0.00 H new ATOM 0 HA PHE A 49 10.995 -1.559 -39.413 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.915 -0.748 -36.666 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.795 0.275 -37.543 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.509 -0.093 -37.304 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.226 -3.333 -36.535 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.608 -1.519 -36.597 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.329 -4.741 -35.790 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.015 -3.846 -35.834 1.00 0.00 H new ATOM 748 N MET A 50 13.581 -0.060 -40.019 1.00 0.00 N ATOM 749 CA MET A 50 14.149 0.988 -40.856 1.00 0.00 C ATOM 750 C MET A 50 13.574 1.078 -42.279 1.00 0.00 C ATOM 751 O MET A 50 13.541 2.183 -42.819 1.00 0.00 O ATOM 752 CB MET A 50 15.670 0.847 -40.931 1.00 0.00 C ATOM 753 CG MET A 50 16.341 1.397 -39.669 1.00 0.00 C ATOM 754 SD MET A 50 18.079 1.855 -39.902 1.00 0.00 S ATOM 755 CE MET A 50 18.755 0.234 -40.337 1.00 0.00 C ATOM 0 H MET A 50 14.235 -0.802 -39.772 1.00 0.00 H new ATOM 0 HA MET A 50 13.865 1.917 -40.362 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.935 -0.203 -41.058 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.044 1.379 -41.806 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.788 2.272 -39.327 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.275 0.649 -38.879 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.823 0.216 -40.122 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.254 -0.538 -39.753 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.595 0.046 -41.399 1.00 0.00 H new ATOM 765 N PRO A 51 13.121 -0.007 -42.932 1.00 0.00 N ATOM 766 CA PRO A 51 12.600 0.104 -44.288 1.00 0.00 C ATOM 767 C PRO A 51 11.234 0.793 -44.317 1.00 0.00 C ATOM 768 O PRO A 51 10.745 1.137 -45.392 1.00 0.00 O ATOM 769 CB PRO A 51 12.510 -1.333 -44.797 1.00 0.00 C ATOM 770 CG PRO A 51 12.243 -2.132 -43.523 1.00 0.00 C ATOM 771 CD PRO A 51 13.080 -1.390 -42.483 1.00 0.00 C ATOM 0 HA PRO A 51 13.245 0.719 -44.916 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.708 -1.454 -45.525 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.433 -1.647 -45.285 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.185 -2.138 -43.262 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.552 -3.172 -43.625 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.633 -1.468 -41.492 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.083 -1.810 -42.414 1.00 0.00 H new ATOM 779 N PHE A 52 10.615 0.998 -43.149 1.00 0.00 N ATOM 780 CA PHE A 52 9.316 1.653 -43.057 1.00 0.00 C ATOM 781 C PHE A 52 9.449 3.172 -42.995 1.00 0.00 C ATOM 782 O PHE A 52 8.467 3.883 -43.195 1.00 0.00 O ATOM 783 CB PHE A 52 8.596 1.124 -41.820 1.00 0.00 C ATOM 784 CG PHE A 52 8.397 -0.376 -41.826 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.698 -1.124 -40.679 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.921 -1.025 -42.976 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.537 -2.515 -40.682 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.768 -2.418 -42.980 1.00 0.00 C ATOM 789 CZ PHE A 52 8.075 -3.164 -41.833 1.00 0.00 C ATOM 0 H PHE A 52 11.002 0.715 -42.249 1.00 0.00 H new ATOM 0 HA PHE A 52 8.740 1.426 -43.954 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.165 1.402 -40.933 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.624 1.610 -41.741 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.055 -0.626 -39.790 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.673 -0.451 -43.857 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.769 -3.087 -39.796 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.413 -2.918 -43.869 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.955 -4.237 -41.838 1.00 0.00 H new ATOM 799 N GLY A 53 10.653 3.678 -42.724 1.00 0.00 N ATOM 800 CA GLY A 53 10.916 5.106 -42.661 1.00 0.00 C ATOM 801 C GLY A 53 12.090 5.418 -41.741 1.00 0.00 C ATOM 802 O GLY A 53 12.786 4.517 -41.279 1.00 0.00 O ATOM 0 H GLY A 53 11.474 3.101 -42.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.127 5.483 -43.662 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.026 5.626 -42.306 1.00 0.00 H new ATOM 806 N ASN A 54 12.312 6.706 -41.468 1.00 0.00 N ATOM 807 CA ASN A 54 13.429 7.136 -40.642 1.00 0.00 C ATOM 808 C ASN A 54 13.140 6.878 -39.166 1.00 0.00 C ATOM 809 O ASN A 54 12.382 7.612 -38.534 1.00 0.00 O ATOM 810 CB ASN A 54 13.703 8.621 -40.896 1.00 0.00 C ATOM 811 CG ASN A 54 14.814 9.150 -40.001 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.721 8.414 -39.618 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.751 10.433 -39.665 1.00 0.00 N ATOM 0 H ASN A 54 11.727 7.468 -41.811 1.00 0.00 H new ATOM 0 HA ASN A 54 14.316 6.561 -40.908 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.977 8.767 -41.941 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.792 9.194 -40.722 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.472 10.840 -39.069 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.982 11.012 -40.003 1.00 0.00 H new ATOM 820 N VAL A 55 13.758 5.827 -38.628 1.00 0.00 N ATOM 821 CA VAL A 55 13.649 5.481 -37.221 1.00 0.00 C ATOM 822 C VAL A 55 14.656 6.313 -36.434 1.00 0.00 C ATOM 823 O VAL A 55 15.852 6.250 -36.717 1.00 0.00 O ATOM 824 CB VAL A 55 13.923 3.981 -37.052 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.952 3.585 -35.580 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.846 3.165 -37.762 1.00 0.00 C ATOM 0 H VAL A 55 14.350 5.192 -39.163 1.00 0.00 H new ATOM 0 HA VAL A 55 12.648 5.694 -36.846 1.00 0.00 H new ATOM 0 HB VAL A 55 14.899 3.774 -37.492 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.148 2.516 -35.495 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.739 4.140 -35.069 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.990 3.815 -35.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.052 2.102 -37.635 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.871 3.400 -37.335 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.845 3.410 -38.824 1.00 0.00 H new ATOM 836 N ILE A 56 14.189 7.091 -35.450 1.00 0.00 N ATOM 837 CA ILE A 56 15.080 7.906 -34.633 1.00 0.00 C ATOM 838 C ILE A 56 15.687 7.056 -33.515 1.00 0.00 C ATOM 839 O ILE A 56 16.833 7.275 -33.120 1.00 0.00 O ATOM 840 CB ILE A 56 14.331 9.113 -34.055 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.641 9.911 -35.167 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.320 10.012 -33.310 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.002 11.192 -34.630 1.00 0.00 C ATOM 0 H ILE A 56 13.202 7.170 -35.205 1.00 0.00 H new ATOM 0 HA ILE A 56 15.887 8.282 -35.262 1.00 0.00 H new ATOM 0 HB ILE A 56 13.566 8.754 -33.367 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.368 10.163 -35.939 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.877 9.293 -35.638 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.791 10.871 -32.898 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.785 9.449 -32.500 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.090 10.357 -34.001 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.523 11.730 -35.448 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.256 10.938 -33.877 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.771 11.822 -34.182 1.00 0.00 H new ATOM 855 N SER A 57 14.921 6.088 -33.010 1.00 0.00 N ATOM 856 CA SER A 57 15.362 5.242 -31.911 1.00 0.00 C ATOM 857 C SER A 57 14.606 3.921 -31.922 1.00 0.00 C ATOM 858 O SER A 57 13.499 3.827 -32.456 1.00 0.00 O ATOM 859 CB SER A 57 15.143 5.980 -30.590 1.00 0.00 C ATOM 860 OG SER A 57 15.597 5.213 -29.496 1.00 0.00 O ATOM 0 H SER A 57 13.984 5.873 -33.352 1.00 0.00 H new ATOM 0 HA SER A 57 16.423 5.021 -32.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.669 6.934 -30.612 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.083 6.203 -30.466 1.00 0.00 H new ATOM 0 HG SER A 57 14.897 5.174 -28.811 1.00 0.00 H new ATOM 866 N ALA A 58 15.213 2.895 -31.321 1.00 0.00 N ATOM 867 CA ALA A 58 14.637 1.569 -31.237 1.00 0.00 C ATOM 868 C ALA A 58 15.227 0.839 -30.034 1.00 0.00 C ATOM 869 O ALA A 58 16.376 1.083 -29.658 1.00 0.00 O ATOM 870 CB ALA A 58 14.925 0.817 -32.533 1.00 0.00 C ATOM 0 H ALA A 58 16.128 2.972 -30.877 1.00 0.00 H new ATOM 0 HA ALA A 58 13.557 1.631 -31.105 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.494 -0.183 -32.477 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.484 1.356 -33.372 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.003 0.740 -32.677 1.00 0.00 H new ATOM 876 N LYS A 59 14.448 -0.055 -29.423 1.00 0.00 N ATOM 877 CA LYS A 59 14.852 -0.722 -28.195 1.00 0.00 C ATOM 878 C LYS A 59 14.063 -2.009 -27.975 1.00 0.00 C ATOM 879 O LYS A 59 12.868 -2.064 -28.245 1.00 0.00 O ATOM 880 CB LYS A 59 14.618 0.260 -27.039 1.00 0.00 C ATOM 881 CG LYS A 59 14.893 -0.311 -25.643 1.00 0.00 C ATOM 882 CD LYS A 59 16.333 -0.797 -25.469 1.00 0.00 C ATOM 883 CE LYS A 59 17.344 0.287 -25.847 1.00 0.00 C ATOM 884 NZ LYS A 59 18.732 -0.189 -25.686 1.00 0.00 N ATOM 0 H LYS A 59 13.528 -0.332 -29.766 1.00 0.00 H new ATOM 0 HA LYS A 59 15.903 -1.005 -28.254 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.252 1.134 -27.190 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.585 0.605 -27.078 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.681 0.453 -24.896 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.210 -1.140 -25.454 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.493 -1.099 -24.434 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.497 -1.679 -26.088 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.181 0.594 -26.880 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.185 1.167 -25.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.392 0.564 -25.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.899 -0.443 -24.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.884 -1.024 -26.287 1.00 0.00 H new ATOM 898 N VAL A 60 14.742 -3.041 -27.477 1.00 0.00 N ATOM 899 CA VAL A 60 14.102 -4.255 -26.987 1.00 0.00 C ATOM 900 C VAL A 60 14.423 -4.257 -25.500 1.00 0.00 C ATOM 901 O VAL A 60 15.586 -4.119 -25.122 1.00 0.00 O ATOM 902 CB VAL A 60 14.676 -5.500 -27.672 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.399 -6.765 -26.858 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.023 -5.653 -29.043 1.00 0.00 C ATOM 0 H VAL A 60 15.759 -3.056 -27.403 1.00 0.00 H new ATOM 0 HA VAL A 60 13.031 -4.275 -27.190 1.00 0.00 H new ATOM 0 HB VAL A 60 15.755 -5.374 -27.761 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.820 -7.629 -27.373 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.857 -6.671 -25.873 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.323 -6.898 -26.747 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.424 -6.536 -29.540 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.945 -5.762 -28.923 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.233 -4.770 -29.647 1.00 0.00 H new ATOM 914 N PHE A 61 13.401 -4.409 -24.661 1.00 0.00 N ATOM 915 CA PHE A 61 13.598 -4.303 -23.230 1.00 0.00 C ATOM 916 C PHE A 61 14.351 -5.469 -22.599 1.00 0.00 C ATOM 917 O PHE A 61 14.377 -6.561 -23.160 1.00 0.00 O ATOM 918 CB PHE A 61 12.282 -3.956 -22.540 1.00 0.00 C ATOM 919 CG PHE A 61 11.808 -2.562 -22.886 1.00 0.00 C ATOM 920 CD1 PHE A 61 12.633 -1.460 -22.636 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.553 -2.372 -23.482 1.00 0.00 C ATOM 922 CE1 PHE A 61 12.205 -0.166 -22.969 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.120 -1.080 -23.809 1.00 0.00 C ATOM 924 CZ PHE A 61 10.943 0.026 -23.554 1.00 0.00 C ATOM 0 H PHE A 61 12.442 -4.603 -24.949 1.00 0.00 H new ATOM 0 HA PHE A 61 14.284 -3.473 -23.064 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.520 -4.680 -22.829 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.407 -4.038 -21.460 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.603 -1.606 -22.185 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.920 -3.222 -23.689 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.846 0.682 -22.776 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.149 -0.936 -24.259 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.608 1.021 -23.806 1.00 0.00 H new ATOM 934 N ILE A 62 14.962 -5.239 -21.433 1.00 0.00 N ATOM 935 CA ILE A 62 15.764 -6.251 -20.756 1.00 0.00 C ATOM 936 C ILE A 62 15.285 -6.440 -19.322 1.00 0.00 C ATOM 937 O ILE A 62 14.942 -5.471 -18.647 1.00 0.00 O ATOM 938 CB ILE A 62 17.245 -5.852 -20.782 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.773 -5.621 -22.208 1.00 0.00 C ATOM 940 CG2 ILE A 62 18.069 -6.926 -20.071 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.735 -6.876 -23.083 1.00 0.00 C ATOM 0 H ILE A 62 14.912 -4.349 -20.937 1.00 0.00 H new ATOM 0 HA ILE A 62 15.649 -7.199 -21.281 1.00 0.00 H new ATOM 0 HB ILE A 62 17.343 -4.900 -20.260 1.00 0.00 H new ATOM 0 HG12 ILE A 62 17.182 -4.838 -22.683 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.799 -5.257 -22.153 1.00 0.00 H new ATOM 0 HG21 ILE A 62 19.122 -6.646 -20.087 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.734 -7.017 -19.038 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.939 -7.881 -20.580 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.122 -6.640 -24.074 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.349 -7.654 -22.630 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.707 -7.229 -23.169 1.00 0.00 H new ATOM 953 N ASP A 63 15.261 -7.692 -18.854 1.00 0.00 N ATOM 954 CA ASP A 63 14.884 -8.014 -17.486 1.00 0.00 C ATOM 955 C ASP A 63 16.130 -7.930 -16.604 1.00 0.00 C ATOM 956 O ASP A 63 17.166 -8.491 -16.943 1.00 0.00 O ATOM 957 CB ASP A 63 14.277 -9.418 -17.458 1.00 0.00 C ATOM 958 CG ASP A 63 13.761 -9.830 -16.078 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.232 -10.958 -15.978 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.899 -9.020 -15.134 1.00 0.00 O ATOM 0 H ASP A 63 15.504 -8.507 -19.418 1.00 0.00 H new ATOM 0 HA ASP A 63 14.142 -7.311 -17.108 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.456 -9.465 -18.173 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.028 -10.137 -17.786 1.00 0.00 H new ATOM 965 N LYS A 64 16.035 -7.234 -15.471 1.00 0.00 N ATOM 966 CA LYS A 64 17.156 -7.058 -14.551 1.00 0.00 C ATOM 967 C LYS A 64 17.426 -8.332 -13.745 1.00 0.00 C ATOM 968 O LYS A 64 18.468 -8.441 -13.100 1.00 0.00 O ATOM 969 CB LYS A 64 16.833 -5.883 -13.629 1.00 0.00 C ATOM 970 CG LYS A 64 15.622 -6.201 -12.742 1.00 0.00 C ATOM 971 CD LYS A 64 15.009 -4.925 -12.173 1.00 0.00 C ATOM 972 CE LYS A 64 14.345 -4.126 -13.295 1.00 0.00 C ATOM 973 NZ LYS A 64 13.685 -2.917 -12.766 1.00 0.00 N ATOM 0 H LYS A 64 15.176 -6.776 -15.166 1.00 0.00 H new ATOM 0 HA LYS A 64 18.064 -6.850 -15.117 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.697 -5.657 -13.004 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.629 -4.993 -14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.874 -6.740 -13.322 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.927 -6.857 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.275 -5.173 -11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.780 -4.323 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.093 -3.842 -14.035 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.612 -4.750 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.242 -2.393 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.956 -3.193 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.391 -2.312 -12.300 1.00 0.00 H new ATOM 987 N GLN A 65 16.495 -9.290 -13.774 1.00 0.00 N ATOM 988 CA GLN A 65 16.599 -10.527 -13.014 1.00 0.00 C ATOM 989 C GLN A 65 17.307 -11.640 -13.780 1.00 0.00 C ATOM 990 O GLN A 65 17.824 -12.573 -13.172 1.00 0.00 O ATOM 991 CB GLN A 65 15.193 -10.992 -12.663 1.00 0.00 C ATOM 992 CG GLN A 65 14.549 -10.034 -11.657 1.00 0.00 C ATOM 993 CD GLN A 65 13.032 -10.129 -11.690 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.398 -10.404 -10.673 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.439 -9.910 -12.856 1.00 0.00 N ATOM 0 H GLN A 65 15.644 -9.223 -14.332 1.00 0.00 H new ATOM 0 HA GLN A 65 17.194 -10.319 -12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.584 -11.044 -13.566 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.230 -11.998 -12.245 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.907 -10.264 -10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.856 -9.012 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.999 -9.684 -13.678 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.423 -9.967 -12.930 1.00 0.00 H new ATOM 1004 N THR A 66 17.332 -11.543 -15.110 1.00 0.00 N ATOM 1005 CA THR A 66 17.892 -12.571 -15.978 1.00 0.00 C ATOM 1006 C THR A 66 18.760 -12.039 -17.104 1.00 0.00 C ATOM 1007 O THR A 66 19.498 -12.792 -17.738 1.00 0.00 O ATOM 1008 CB THR A 66 16.807 -13.517 -16.508 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.307 -13.009 -17.723 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.630 -13.672 -15.550 1.00 0.00 C ATOM 0 H THR A 66 16.960 -10.740 -15.616 1.00 0.00 H new ATOM 0 HA THR A 66 18.567 -13.141 -15.340 1.00 0.00 H new ATOM 0 HB THR A 66 17.275 -14.494 -16.632 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.614 -13.610 -18.068 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.897 -14.353 -15.982 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.984 -14.074 -14.601 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.167 -12.700 -15.382 1.00 0.00 H new ATOM 1018 N ASN A 67 18.662 -10.727 -17.343 1.00 0.00 N ATOM 1019 CA ASN A 67 19.387 -10.026 -18.398 1.00 0.00 C ATOM 1020 C ASN A 67 19.029 -10.532 -19.798 1.00 0.00 C ATOM 1021 O ASN A 67 19.672 -10.152 -20.776 1.00 0.00 O ATOM 1022 CB ASN A 67 20.893 -10.042 -18.115 1.00 0.00 C ATOM 1023 CG ASN A 67 21.253 -9.302 -16.832 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.483 -8.488 -16.323 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.439 -9.579 -16.294 1.00 0.00 N ATOM 0 H ASN A 67 18.061 -10.112 -16.793 1.00 0.00 H new ATOM 0 HA ASN A 67 19.067 -8.984 -18.389 1.00 0.00 H new ATOM 0 HB2 ASN A 67 21.235 -11.074 -18.043 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.422 -9.588 -18.953 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.732 -9.111 -15.436 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.055 -10.259 -16.740 1.00 0.00 H new ATOM 1032 N LEU A 68 18.005 -11.387 -19.908 1.00 0.00 N ATOM 1033 CA LEU A 68 17.507 -11.859 -21.192 1.00 0.00 C ATOM 1034 C LEU A 68 16.571 -10.821 -21.807 1.00 0.00 C ATOM 1035 O LEU A 68 16.074 -9.935 -21.111 1.00 0.00 O ATOM 1036 CB LEU A 68 16.793 -13.201 -21.014 1.00 0.00 C ATOM 1037 CG LEU A 68 17.711 -14.281 -20.433 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.925 -15.583 -20.289 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.916 -14.536 -21.339 1.00 0.00 C ATOM 0 H LEU A 68 17.503 -11.767 -19.106 1.00 0.00 H new ATOM 0 HA LEU A 68 18.347 -12.004 -21.871 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.933 -13.067 -20.357 1.00 0.00 H new ATOM 0 HB3 LEU A 68 16.409 -13.535 -21.978 1.00 0.00 H new ATOM 0 HG LEU A 68 18.071 -13.934 -19.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 17.573 -16.356 -19.876 1.00 0.00 H new ATOM 0 HD12 LEU A 68 16.078 -15.425 -19.621 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.562 -15.899 -21.267 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.547 -15.308 -20.897 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.571 -14.866 -22.319 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.491 -13.616 -21.448 1.00 0.00 H new ATOM 1051 N SER A 69 16.333 -10.939 -23.116 1.00 0.00 N ATOM 1052 CA SER A 69 15.457 -10.023 -23.829 1.00 0.00 C ATOM 1053 C SER A 69 14.006 -10.226 -23.408 1.00 0.00 C ATOM 1054 O SER A 69 13.537 -11.358 -23.283 1.00 0.00 O ATOM 1055 CB SER A 69 15.601 -10.230 -25.338 1.00 0.00 C ATOM 1056 OG SER A 69 16.915 -9.914 -25.745 1.00 0.00 O ATOM 0 H SER A 69 16.741 -11.668 -23.702 1.00 0.00 H new ATOM 0 HA SER A 69 15.747 -9.002 -23.579 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.370 -11.264 -25.595 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.886 -9.602 -25.869 1.00 0.00 H new ATOM 0 HG SER A 69 16.946 -9.841 -26.722 1.00 0.00 H new ATOM 1062 N LYS A 70 13.285 -9.123 -23.189 1.00 0.00 N ATOM 1063 CA LYS A 70 11.864 -9.173 -22.894 1.00 0.00 C ATOM 1064 C LYS A 70 11.068 -9.446 -24.163 1.00 0.00 C ATOM 1065 O LYS A 70 11.576 -9.302 -25.276 1.00 0.00 O ATOM 1066 CB LYS A 70 11.401 -7.883 -22.224 1.00 0.00 C ATOM 1067 CG LYS A 70 12.037 -7.719 -20.843 1.00 0.00 C ATOM 1068 CD LYS A 70 11.286 -6.636 -20.069 1.00 0.00 C ATOM 1069 CE LYS A 70 11.820 -6.531 -18.645 1.00 0.00 C ATOM 1070 NZ LYS A 70 11.151 -5.440 -17.911 1.00 0.00 N ATOM 0 H LYS A 70 13.673 -8.180 -23.212 1.00 0.00 H new ATOM 0 HA LYS A 70 11.686 -9.991 -22.196 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.662 -7.030 -22.851 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.315 -7.889 -22.129 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.001 -8.663 -20.299 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.088 -7.448 -20.943 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.394 -5.677 -20.576 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.221 -6.868 -20.048 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.664 -7.475 -18.123 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.895 -6.354 -18.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.234 -5.608 -16.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.601 -4.533 -18.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.146 -5.408 -18.176 1.00 0.00 H new ATOM 1084 N CYS A 71 9.808 -9.837 -23.994 1.00 0.00 N ATOM 1085 CA CYS A 71 8.940 -10.206 -25.099 1.00 0.00 C ATOM 1086 C CYS A 71 8.390 -9.002 -25.863 1.00 0.00 C ATOM 1087 O CYS A 71 7.501 -9.169 -26.694 1.00 0.00 O ATOM 1088 CB CYS A 71 7.805 -11.086 -24.573 1.00 0.00 C ATOM 1089 SG CYS A 71 8.491 -12.641 -23.940 1.00 0.00 S ATOM 0 H CYS A 71 9.361 -9.906 -23.080 1.00 0.00 H new ATOM 0 HA CYS A 71 9.541 -10.761 -25.819 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.264 -10.566 -23.782 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.089 -11.289 -25.369 1.00 0.00 H new ATOM 0 HG CYS A 71 7.528 -13.389 -23.490 1.00 0.00 H new ATOM 1095 N PHE A 72 8.885 -7.787 -25.610 1.00 0.00 N ATOM 1096 CA PHE A 72 8.329 -6.619 -26.278 1.00 0.00 C ATOM 1097 C PHE A 72 9.415 -5.540 -26.256 1.00 0.00 C ATOM 1098 O PHE A 72 10.458 -5.687 -25.618 1.00 0.00 O ATOM 1099 CB PHE A 72 7.100 -6.166 -25.482 1.00 0.00 C ATOM 1100 CG PHE A 72 7.371 -5.273 -24.296 1.00 0.00 C ATOM 1101 CD1 PHE A 72 8.042 -5.763 -23.169 1.00 0.00 C ATOM 1102 CD2 PHE A 72 6.939 -3.941 -24.336 1.00 0.00 C ATOM 1103 CE1 PHE A 72 8.283 -4.915 -22.078 1.00 0.00 C ATOM 1104 CE2 PHE A 72 7.175 -3.093 -23.245 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.846 -3.582 -22.116 1.00 0.00 C ATOM 0 H PHE A 72 9.650 -7.594 -24.964 1.00 0.00 H new ATOM 0 HA PHE A 72 8.029 -6.824 -27.306 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.426 -5.642 -26.160 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.572 -7.053 -25.131 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.373 -6.791 -23.140 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.424 -3.567 -25.208 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.805 -5.288 -21.209 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.841 -2.066 -23.274 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.027 -2.931 -21.273 1.00 0.00 H new ATOM 1115 N GLY A 73 9.154 -4.443 -26.969 1.00 0.00 N ATOM 1116 CA GLY A 73 10.097 -3.351 -27.123 1.00 0.00 C ATOM 1117 C GLY A 73 9.425 -2.066 -27.605 1.00 0.00 C ATOM 1118 O GLY A 73 8.201 -1.930 -27.573 1.00 0.00 O ATOM 0 H GLY A 73 8.271 -4.293 -27.458 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.591 -3.164 -26.170 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.872 -3.641 -27.832 1.00 0.00 H new ATOM 1122 N PHE A 74 10.254 -1.123 -28.052 1.00 0.00 N ATOM 1123 CA PHE A 74 9.868 0.226 -28.449 1.00 0.00 C ATOM 1124 C PHE A 74 10.601 0.783 -29.671 1.00 0.00 C ATOM 1125 O PHE A 74 11.785 0.504 -29.857 1.00 0.00 O ATOM 1126 CB PHE A 74 9.881 1.147 -27.221 1.00 0.00 C ATOM 1127 CG PHE A 74 10.147 2.604 -27.522 1.00 0.00 C ATOM 1128 CD1 PHE A 74 9.211 3.367 -28.234 1.00 0.00 C ATOM 1129 CD2 PHE A 74 11.346 3.188 -27.085 1.00 0.00 C ATOM 1130 CE1 PHE A 74 9.490 4.703 -28.549 1.00 0.00 C ATOM 1131 CE2 PHE A 74 11.629 4.522 -27.417 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.704 5.277 -28.149 1.00 0.00 C ATOM 0 H PHE A 74 11.256 -1.288 -28.151 1.00 0.00 H new ATOM 0 HA PHE A 74 8.845 0.173 -28.821 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.920 1.065 -26.713 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.640 0.790 -26.525 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.274 2.925 -28.540 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.047 2.614 -26.497 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.770 5.290 -29.100 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.563 4.968 -27.107 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.927 6.302 -28.405 1.00 0.00 H new ATOM 1142 N VAL A 75 9.910 1.569 -30.507 1.00 0.00 N ATOM 1143 CA VAL A 75 10.476 2.162 -31.722 1.00 0.00 C ATOM 1144 C VAL A 75 9.828 3.528 -31.968 1.00 0.00 C ATOM 1145 O VAL A 75 8.684 3.743 -31.569 1.00 0.00 O ATOM 1146 CB VAL A 75 10.259 1.224 -32.925 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.769 1.844 -34.227 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.976 -0.114 -32.740 1.00 0.00 C ATOM 0 H VAL A 75 8.931 1.813 -30.355 1.00 0.00 H new ATOM 0 HA VAL A 75 11.550 2.299 -31.595 1.00 0.00 H new ATOM 0 HB VAL A 75 9.182 1.065 -32.983 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.598 1.152 -35.051 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.237 2.776 -34.419 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.836 2.047 -34.140 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.798 -0.746 -33.610 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.047 0.059 -32.631 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.596 -0.610 -31.847 1.00 0.00 H new ATOM 1158 N SER A 76 10.540 4.453 -32.623 1.00 0.00 N ATOM 1159 CA SER A 76 10.034 5.794 -32.879 1.00 0.00 C ATOM 1160 C SER A 76 10.440 6.309 -34.258 1.00 0.00 C ATOM 1161 O SER A 76 11.499 5.956 -34.774 1.00 0.00 O ATOM 1162 CB SER A 76 10.525 6.740 -31.782 1.00 0.00 C ATOM 1163 OG SER A 76 11.934 6.843 -31.806 1.00 0.00 O ATOM 0 H SER A 76 11.479 4.288 -32.986 1.00 0.00 H new ATOM 0 HA SER A 76 8.945 5.754 -32.867 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.081 7.726 -31.919 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.198 6.376 -30.808 1.00 0.00 H new ATOM 0 HG SER A 76 12.248 7.233 -30.963 1.00 0.00 H new ATOM 1169 N TYR A 77 9.585 7.155 -34.848 1.00 0.00 N ATOM 1170 CA TYR A 77 9.803 7.741 -36.165 1.00 0.00 C ATOM 1171 C TYR A 77 9.945 9.258 -36.207 1.00 0.00 C ATOM 1172 O TYR A 77 9.519 9.946 -35.284 1.00 0.00 O ATOM 1173 CB TYR A 77 8.738 7.259 -37.148 1.00 0.00 C ATOM 1174 CG TYR A 77 8.893 5.815 -37.549 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.674 5.472 -38.663 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.249 4.822 -36.799 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.818 4.129 -39.030 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.388 3.475 -37.159 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.176 3.128 -38.273 1.00 0.00 C ATOM 1180 OH TYR A 77 9.319 1.821 -38.612 1.00 0.00 O ATOM 0 H TYR A 77 8.712 7.452 -34.412 1.00 0.00 H new ATOM 0 HA TYR A 77 10.786 7.379 -36.468 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.754 7.399 -36.701 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.774 7.881 -38.042 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.164 6.244 -39.237 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.647 5.094 -35.945 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.417 3.861 -39.888 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.893 2.706 -36.584 1.00 0.00 H new ATOM 0 HH TYR A 77 10.180 1.692 -39.062 1.00 0.00 H new ATOM 1190 N ASP A 78 10.541 9.780 -37.282 1.00 0.00 N ATOM 1191 CA ASP A 78 10.665 11.220 -37.478 1.00 0.00 C ATOM 1192 C ASP A 78 9.352 11.850 -37.950 1.00 0.00 C ATOM 1193 O ASP A 78 9.189 13.069 -37.933 1.00 0.00 O ATOM 1194 CB ASP A 78 11.833 11.483 -38.433 1.00 0.00 C ATOM 1195 CG ASP A 78 12.036 12.957 -38.786 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.387 13.216 -39.960 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.843 13.811 -37.892 1.00 0.00 O ATOM 0 H ASP A 78 10.946 9.220 -38.032 1.00 0.00 H new ATOM 0 HA ASP A 78 10.880 11.703 -36.525 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.749 11.100 -37.983 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.670 10.920 -39.352 1.00 0.00 H new ATOM 1202 N ASN A 79 8.405 11.013 -38.373 1.00 0.00 N ATOM 1203 CA ASN A 79 7.082 11.452 -38.793 1.00 0.00 C ATOM 1204 C ASN A 79 6.057 10.329 -38.634 1.00 0.00 C ATOM 1205 O ASN A 79 6.408 9.154 -38.750 1.00 0.00 O ATOM 1206 CB ASN A 79 7.119 11.980 -40.232 1.00 0.00 C ATOM 1207 CG ASN A 79 7.984 11.145 -41.175 1.00 0.00 C ATOM 1208 OD1 ASN A 79 8.709 11.689 -42.002 1.00 0.00 O ATOM 1209 ND2 ASN A 79 7.919 9.822 -41.061 1.00 0.00 N ATOM 0 H ASN A 79 8.539 10.004 -38.433 1.00 0.00 H new ATOM 0 HA ASN A 79 6.771 12.272 -38.146 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.102 12.014 -40.622 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.492 13.004 -40.224 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.482 9.229 -41.671 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.306 9.400 -40.363 1.00 0.00 H new ATOM 1216 N PRO A 80 4.793 10.674 -38.367 1.00 0.00 N ATOM 1217 CA PRO A 80 3.733 9.713 -38.110 1.00 0.00 C ATOM 1218 C PRO A 80 3.380 8.906 -39.357 1.00 0.00 C ATOM 1219 O PRO A 80 2.823 7.818 -39.239 1.00 0.00 O ATOM 1220 CB PRO A 80 2.540 10.555 -37.648 1.00 0.00 C ATOM 1221 CG PRO A 80 2.772 11.896 -38.341 1.00 0.00 C ATOM 1222 CD PRO A 80 4.290 12.033 -38.281 1.00 0.00 C ATOM 0 HA PRO A 80 4.036 8.978 -37.364 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.592 10.107 -37.945 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.517 10.661 -36.563 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.404 11.893 -39.367 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.269 12.713 -37.824 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.664 12.645 -39.102 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.607 12.513 -37.355 1.00 0.00 H new ATOM 1230 N VAL A 81 3.692 9.411 -40.553 1.00 0.00 N ATOM 1231 CA VAL A 81 3.359 8.708 -41.783 1.00 0.00 C ATOM 1232 C VAL A 81 4.114 7.384 -41.889 1.00 0.00 C ATOM 1233 O VAL A 81 3.557 6.384 -42.343 1.00 0.00 O ATOM 1234 CB VAL A 81 3.618 9.624 -42.987 1.00 0.00 C ATOM 1235 CG1 VAL A 81 5.104 9.927 -43.178 1.00 0.00 C ATOM 1236 CG2 VAL A 81 3.087 8.973 -44.263 1.00 0.00 C ATOM 0 H VAL A 81 4.172 10.300 -40.690 1.00 0.00 H new ATOM 0 HA VAL A 81 2.299 8.454 -41.773 1.00 0.00 H new ATOM 0 HB VAL A 81 3.100 10.562 -42.787 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.234 10.578 -44.042 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.492 10.423 -42.288 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.647 8.996 -43.340 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.275 9.630 -45.112 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.592 8.020 -44.423 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.015 8.804 -44.166 1.00 0.00 H new ATOM 1246 N SER A 82 5.377 7.367 -41.461 1.00 0.00 N ATOM 1247 CA SER A 82 6.177 6.153 -41.450 1.00 0.00 C ATOM 1248 C SER A 82 5.772 5.250 -40.293 1.00 0.00 C ATOM 1249 O SER A 82 5.961 4.035 -40.358 1.00 0.00 O ATOM 1250 CB SER A 82 7.656 6.518 -41.307 1.00 0.00 C ATOM 1251 OG SER A 82 8.082 7.272 -42.426 1.00 0.00 O ATOM 0 H SER A 82 5.867 8.192 -41.115 1.00 0.00 H new ATOM 0 HA SER A 82 6.010 5.621 -42.387 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.810 7.091 -40.393 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.255 5.612 -41.220 1.00 0.00 H new ATOM 0 HG SER A 82 8.266 6.669 -43.176 1.00 0.00 H new ATOM 1257 N ALA A 83 5.216 5.835 -39.228 1.00 0.00 N ATOM 1258 CA ALA A 83 4.807 5.069 -38.066 1.00 0.00 C ATOM 1259 C ALA A 83 3.531 4.289 -38.368 1.00 0.00 C ATOM 1260 O ALA A 83 3.461 3.096 -38.085 1.00 0.00 O ATOM 1261 CB ALA A 83 4.601 6.017 -36.886 1.00 0.00 C ATOM 0 H ALA A 83 5.042 6.837 -39.155 1.00 0.00 H new ATOM 0 HA ALA A 83 5.585 4.350 -37.810 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.293 5.446 -36.010 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.534 6.538 -36.670 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.828 6.745 -37.134 1.00 0.00 H new ATOM 1267 N GLN A 84 2.520 4.949 -38.944 1.00 0.00 N ATOM 1268 CA GLN A 84 1.258 4.284 -39.238 1.00 0.00 C ATOM 1269 C GLN A 84 1.447 3.214 -40.311 1.00 0.00 C ATOM 1270 O GLN A 84 0.711 2.229 -40.337 1.00 0.00 O ATOM 1271 CB GLN A 84 0.217 5.321 -39.678 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.057 6.347 -38.571 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.478 5.696 -37.259 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.245 4.734 -37.248 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.015 6.214 -36.138 1.00 0.00 N ATOM 0 H GLN A 84 2.555 5.933 -39.211 1.00 0.00 H new ATOM 0 HA GLN A 84 0.901 3.789 -38.335 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.569 5.835 -40.573 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.711 4.816 -39.945 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.839 6.944 -38.405 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.839 7.031 -38.900 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.649 7.012 -36.181 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.241 5.813 -35.235 1.00 0.00 H new ATOM 1284 N ALA A 85 2.433 3.397 -41.200 1.00 0.00 N ATOM 1285 CA ALA A 85 2.748 2.385 -42.190 1.00 0.00 C ATOM 1286 C ALA A 85 3.363 1.165 -41.518 1.00 0.00 C ATOM 1287 O ALA A 85 3.032 0.031 -41.862 1.00 0.00 O ATOM 1288 CB ALA A 85 3.733 2.962 -43.201 1.00 0.00 C ATOM 0 H ALA A 85 3.016 4.233 -41.246 1.00 0.00 H new ATOM 0 HA ALA A 85 1.832 2.083 -42.697 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.973 2.205 -43.948 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.286 3.827 -43.692 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.645 3.267 -42.687 1.00 0.00 H new ATOM 1294 N ALA A 86 4.258 1.390 -40.554 1.00 0.00 N ATOM 1295 CA ALA A 86 4.941 0.310 -39.867 1.00 0.00 C ATOM 1296 C ALA A 86 3.983 -0.504 -38.987 1.00 0.00 C ATOM 1297 O ALA A 86 4.233 -1.686 -38.749 1.00 0.00 O ATOM 1298 CB ALA A 86 6.072 0.894 -39.029 1.00 0.00 C ATOM 0 H ALA A 86 4.523 2.322 -40.235 1.00 0.00 H new ATOM 0 HA ALA A 86 5.346 -0.375 -40.612 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.592 0.090 -38.508 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.773 1.418 -39.679 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.661 1.592 -38.300 1.00 0.00 H new ATOM 1304 N ILE A 87 2.894 0.101 -38.502 1.00 0.00 N ATOM 1305 CA ILE A 87 1.895 -0.653 -37.748 1.00 0.00 C ATOM 1306 C ILE A 87 1.225 -1.652 -38.677 1.00 0.00 C ATOM 1307 O ILE A 87 1.172 -2.839 -38.378 1.00 0.00 O ATOM 1308 CB ILE A 87 0.842 0.279 -37.136 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.478 1.204 -36.095 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.272 -0.555 -36.494 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.442 2.080 -35.390 1.00 0.00 C ATOM 0 H ILE A 87 2.686 1.093 -38.616 1.00 0.00 H new ATOM 0 HA ILE A 87 2.393 -1.176 -36.931 1.00 0.00 H new ATOM 0 HB ILE A 87 0.418 0.898 -37.927 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.008 0.605 -35.355 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.219 1.840 -36.581 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.019 0.109 -36.060 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.741 -1.182 -37.253 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.151 -1.186 -35.712 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.941 2.719 -34.661 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.071 2.700 -36.125 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.284 1.446 -34.880 1.00 0.00 H new ATOM 1323 N GLN A 88 0.712 -1.167 -39.808 1.00 0.00 N ATOM 1324 CA GLN A 88 0.031 -2.008 -40.780 1.00 0.00 C ATOM 1325 C GLN A 88 1.004 -2.982 -41.445 1.00 0.00 C ATOM 1326 O GLN A 88 0.573 -3.905 -42.135 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.641 -1.122 -41.833 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.688 -0.208 -41.192 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.330 0.730 -42.207 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.019 0.697 -43.396 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.241 1.580 -41.741 1.00 0.00 N ATOM 0 H GLN A 88 0.759 -0.183 -40.071 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.726 -2.599 -40.264 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.112 -0.519 -42.340 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.113 -1.746 -42.591 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.461 -0.817 -40.722 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.221 0.379 -40.402 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.476 1.582 -40.749 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.704 2.230 -42.376 1.00 0.00 H new ATOM 1340 N ALA A 89 2.312 -2.784 -41.247 1.00 0.00 N ATOM 1341 CA ALA A 89 3.332 -3.626 -41.837 1.00 0.00 C ATOM 1342 C ALA A 89 3.674 -4.828 -40.958 1.00 0.00 C ATOM 1343 O ALA A 89 4.021 -5.878 -41.493 1.00 0.00 O ATOM 1344 CB ALA A 89 4.581 -2.780 -42.064 1.00 0.00 C ATOM 0 H ALA A 89 2.683 -2.030 -40.669 1.00 0.00 H new ATOM 0 HA ALA A 89 2.950 -4.020 -42.779 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.362 -3.397 -42.508 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.344 -1.955 -42.735 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.930 -2.383 -41.111 1.00 0.00 H new ATOM 1350 N MET A 90 3.589 -4.695 -39.628 1.00 0.00 N ATOM 1351 CA MET A 90 3.994 -5.776 -38.732 1.00 0.00 C ATOM 1352 C MET A 90 2.965 -6.166 -37.676 1.00 0.00 C ATOM 1353 O MET A 90 3.152 -7.169 -36.991 1.00 0.00 O ATOM 1354 CB MET A 90 5.352 -5.467 -38.105 1.00 0.00 C ATOM 1355 CG MET A 90 6.437 -5.586 -39.177 1.00 0.00 C ATOM 1356 SD MET A 90 8.119 -5.723 -38.526 1.00 0.00 S ATOM 1357 CE MET A 90 7.962 -7.269 -37.590 1.00 0.00 C ATOM 0 H MET A 90 3.247 -3.858 -39.156 1.00 0.00 H new ATOM 0 HA MET A 90 4.075 -6.661 -39.363 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.351 -4.463 -37.681 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.554 -6.158 -37.287 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.227 -6.460 -39.794 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.383 -4.715 -39.830 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.944 -7.730 -37.482 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.550 -7.057 -36.603 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.298 -7.950 -38.122 1.00 0.00 H new ATOM 1367 N ASN A 91 1.883 -5.404 -37.520 1.00 0.00 N ATOM 1368 CA ASN A 91 0.805 -5.822 -36.639 1.00 0.00 C ATOM 1369 C ASN A 91 0.239 -7.137 -37.178 1.00 0.00 C ATOM 1370 O ASN A 91 -0.156 -7.218 -38.344 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.265 -4.725 -36.586 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.321 -5.010 -35.530 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.156 -5.891 -34.693 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.420 -4.261 -35.565 1.00 0.00 N ATOM 0 H ASN A 91 1.735 -4.509 -37.986 1.00 0.00 H new ATOM 0 HA ASN A 91 1.164 -5.980 -35.622 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.209 -3.766 -36.375 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.743 -4.637 -37.562 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.161 -4.410 -34.880 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.521 -3.537 -36.277 1.00 0.00 H new ATOM 1381 N GLY A 92 0.201 -8.169 -36.333 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.280 -9.488 -36.719 1.00 0.00 C ATOM 1383 C GLY A 92 0.787 -10.324 -37.435 1.00 0.00 C ATOM 1384 O GLY A 92 0.472 -11.414 -37.912 1.00 0.00 O ATOM 0 H GLY A 92 0.504 -8.109 -35.361 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.617 -10.021 -35.830 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.146 -9.377 -37.371 1.00 0.00 H new ATOM 1388 N PHE A 93 2.030 -9.842 -37.518 1.00 0.00 N ATOM 1389 CA PHE A 93 3.096 -10.576 -38.192 1.00 0.00 C ATOM 1390 C PHE A 93 3.418 -11.895 -37.500 1.00 0.00 C ATOM 1391 O PHE A 93 3.802 -11.896 -36.331 1.00 0.00 O ATOM 1392 CB PHE A 93 4.344 -9.694 -38.321 1.00 0.00 C ATOM 1393 CG PHE A 93 5.560 -10.382 -38.897 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.455 -11.076 -38.072 1.00 0.00 C ATOM 1395 CD2 PHE A 93 5.797 -10.309 -40.280 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.598 -11.678 -38.627 1.00 0.00 C ATOM 1397 CE2 PHE A 93 6.932 -10.915 -40.834 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.832 -11.598 -40.007 1.00 0.00 C ATOM 0 H PHE A 93 2.320 -8.946 -37.126 1.00 0.00 H new ATOM 0 HA PHE A 93 2.742 -10.831 -39.191 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.100 -8.836 -38.948 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.599 -9.306 -37.335 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.267 -11.148 -37.011 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.102 -9.784 -40.918 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.296 -12.202 -37.990 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.113 -10.855 -41.897 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.708 -12.064 -40.433 1.00 0.00 H new ATOM 1408 N GLN A 94 3.267 -13.019 -38.197 1.00 0.00 N ATOM 1409 CA GLN A 94 3.499 -14.318 -37.585 1.00 0.00 C ATOM 1410 C GLN A 94 4.992 -14.603 -37.459 1.00 0.00 C ATOM 1411 O GLN A 94 5.738 -14.465 -38.427 1.00 0.00 O ATOM 1412 CB GLN A 94 2.787 -15.414 -38.378 1.00 0.00 C ATOM 1413 CG GLN A 94 3.044 -16.779 -37.735 1.00 0.00 C ATOM 1414 CD GLN A 94 2.273 -17.897 -38.426 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.471 -17.664 -39.327 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.516 -19.136 -37.999 1.00 0.00 N ATOM 0 H GLN A 94 2.987 -13.054 -39.177 1.00 0.00 H new ATOM 0 HA GLN A 94 3.083 -14.305 -36.578 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.716 -15.214 -38.409 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.141 -15.416 -39.409 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.111 -17.000 -37.771 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.761 -16.742 -36.683 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.188 -19.294 -37.249 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.030 -19.926 -38.423 1.00 0.00 H new ATOM 1425 N ILE A 95 5.422 -15.004 -36.261 1.00 0.00 N ATOM 1426 CA ILE A 95 6.808 -15.360 -35.997 1.00 0.00 C ATOM 1427 C ILE A 95 6.847 -16.503 -34.983 1.00 0.00 C ATOM 1428 O ILE A 95 6.120 -16.476 -33.989 1.00 0.00 O ATOM 1429 CB ILE A 95 7.561 -14.114 -35.517 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.045 -14.430 -35.339 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.981 -13.568 -34.207 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.849 -13.145 -35.159 1.00 0.00 C ATOM 0 H ILE A 95 4.813 -15.090 -35.447 1.00 0.00 H new ATOM 0 HA ILE A 95 7.304 -15.712 -36.902 1.00 0.00 H new ATOM 0 HB ILE A 95 7.443 -13.344 -36.280 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.183 -15.077 -34.473 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.413 -14.977 -36.207 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.542 -12.685 -33.901 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.935 -13.299 -34.356 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.053 -14.331 -33.432 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.904 -13.390 -35.034 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.726 -12.512 -36.038 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.493 -12.613 -34.277 1.00 0.00 H new ATOM 1444 N GLY A 96 7.688 -17.512 -35.214 1.00 0.00 N ATOM 1445 CA GLY A 96 7.763 -18.646 -34.301 1.00 0.00 C ATOM 1446 C GLY A 96 6.433 -19.393 -34.267 1.00 0.00 C ATOM 1447 O GLY A 96 6.141 -20.181 -35.164 1.00 0.00 O ATOM 0 H GLY A 96 8.318 -17.565 -36.015 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.558 -19.322 -34.615 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.017 -18.298 -33.300 1.00 0.00 H new ATOM 1451 N MET A 97 5.632 -19.138 -33.228 1.00 0.00 N ATOM 1452 CA MET A 97 4.328 -19.756 -33.033 1.00 0.00 C ATOM 1453 C MET A 97 3.310 -18.741 -32.508 1.00 0.00 C ATOM 1454 O MET A 97 2.266 -19.128 -31.985 1.00 0.00 O ATOM 1455 CB MET A 97 4.467 -20.969 -32.107 1.00 0.00 C ATOM 1456 CG MET A 97 4.952 -20.553 -30.716 1.00 0.00 C ATOM 1457 SD MET A 97 5.050 -21.913 -29.520 1.00 0.00 S ATOM 1458 CE MET A 97 6.358 -22.905 -30.281 1.00 0.00 C ATOM 0 H MET A 97 5.882 -18.483 -32.487 1.00 0.00 H new ATOM 0 HA MET A 97 3.949 -20.106 -33.993 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.506 -21.477 -32.023 1.00 0.00 H new ATOM 0 HB3 MET A 97 5.168 -21.682 -32.541 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.937 -20.096 -30.810 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.281 -19.788 -30.324 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.708 -23.653 -29.570 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.967 -23.403 -31.169 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.188 -22.257 -30.564 1.00 0.00 H new ATOM 1468 N LYS A 98 3.603 -17.440 -32.636 1.00 0.00 N ATOM 1469 CA LYS A 98 2.720 -16.378 -32.157 1.00 0.00 C ATOM 1470 C LYS A 98 2.842 -15.146 -33.054 1.00 0.00 C ATOM 1471 O LYS A 98 3.882 -14.930 -33.671 1.00 0.00 O ATOM 1472 CB LYS A 98 3.062 -16.070 -30.698 1.00 0.00 C ATOM 1473 CG LYS A 98 2.013 -15.171 -30.043 1.00 0.00 C ATOM 1474 CD LYS A 98 2.305 -15.050 -28.544 1.00 0.00 C ATOM 1475 CE LYS A 98 1.249 -14.211 -27.823 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.088 -14.832 -27.893 1.00 0.00 N ATOM 0 H LYS A 98 4.458 -17.099 -33.074 1.00 0.00 H new ATOM 0 HA LYS A 98 1.680 -16.700 -32.202 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.141 -17.003 -30.139 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.037 -15.585 -30.648 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.024 -14.185 -30.507 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.017 -15.585 -30.198 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.343 -16.045 -28.100 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.287 -14.599 -28.401 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.536 -14.084 -26.779 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.211 -13.216 -28.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.730 -14.350 -27.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.460 -14.746 -28.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.018 -15.838 -27.637 1.00 0.00 H new ATOM 1490 N ARG A 99 1.785 -14.334 -33.137 1.00 0.00 N ATOM 1491 CA ARG A 99 1.792 -13.139 -33.971 1.00 0.00 C ATOM 1492 C ARG A 99 2.214 -11.915 -33.168 1.00 0.00 C ATOM 1493 O ARG A 99 1.802 -11.764 -32.022 1.00 0.00 O ATOM 1494 CB ARG A 99 0.413 -12.936 -34.600 1.00 0.00 C ATOM 1495 CG ARG A 99 0.099 -14.067 -35.576 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.267 -13.832 -36.219 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.582 -14.887 -37.189 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.307 -14.829 -38.495 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.688 -13.776 -39.025 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.654 -15.837 -39.291 1.00 0.00 N ATOM 0 H ARG A 99 0.912 -14.487 -32.633 1.00 0.00 H new ATOM 0 HA ARG A 99 2.522 -13.274 -34.769 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.347 -12.899 -33.820 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.382 -11.979 -35.121 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.869 -14.120 -36.346 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.105 -15.023 -35.053 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.036 -13.802 -35.447 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.277 -12.862 -36.716 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.045 -15.726 -36.840 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.414 -12.993 -38.431 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.488 -13.752 -40.025 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.129 -16.652 -38.904 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.445 -15.794 -40.288 1.00 0.00 H new ATOM 1514 N LEU A 100 3.028 -11.041 -33.764 1.00 0.00 N ATOM 1515 CA LEU A 100 3.456 -9.807 -33.128 1.00 0.00 C ATOM 1516 C LEU A 100 2.290 -8.838 -32.977 1.00 0.00 C ATOM 1517 O LEU A 100 1.555 -8.597 -33.933 1.00 0.00 O ATOM 1518 CB LEU A 100 4.564 -9.146 -33.952 1.00 0.00 C ATOM 1519 CG LEU A 100 5.814 -10.021 -34.071 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.855 -9.287 -34.909 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.393 -10.311 -32.690 1.00 0.00 C ATOM 0 H LEU A 100 3.406 -11.175 -34.702 1.00 0.00 H new ATOM 0 HA LEU A 100 3.836 -10.054 -32.137 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.185 -8.923 -34.950 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.834 -8.195 -33.493 1.00 0.00 H new ATOM 0 HG LEU A 100 5.545 -10.965 -34.545 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.750 -9.903 -34.999 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.449 -9.089 -35.901 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.111 -8.344 -34.427 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.281 -10.934 -32.792 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.661 -9.373 -32.204 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.651 -10.833 -32.086 1.00 0.00 H new ATOM 1533 N LYS A 101 2.120 -8.282 -31.773 1.00 0.00 N ATOM 1534 CA LYS A 101 1.169 -7.201 -31.555 1.00 0.00 C ATOM 1535 C LYS A 101 1.906 -5.881 -31.768 1.00 0.00 C ATOM 1536 O LYS A 101 3.025 -5.723 -31.284 1.00 0.00 O ATOM 1537 CB LYS A 101 0.601 -7.294 -30.136 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.503 -6.261 -29.896 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.724 -6.010 -28.399 1.00 0.00 C ATOM 1540 CE LYS A 101 -0.929 -7.291 -27.588 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.204 -7.957 -27.925 1.00 0.00 N ATOM 0 H LYS A 101 2.632 -8.567 -30.938 1.00 0.00 H new ATOM 0 HA LYS A 101 0.333 -7.268 -32.252 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.204 -8.295 -29.968 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.403 -7.144 -29.413 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.239 -5.325 -30.388 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.432 -6.608 -30.349 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.134 -5.470 -27.999 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.594 -5.366 -28.271 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.101 -7.975 -27.774 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.913 -7.054 -26.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.290 -8.838 -27.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.997 -7.326 -27.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.223 -8.176 -28.942 1.00 0.00 H new ATOM 1555 N VAL A 102 1.288 -4.938 -32.486 1.00 0.00 N ATOM 1556 CA VAL A 102 1.863 -3.617 -32.700 1.00 0.00 C ATOM 1557 C VAL A 102 0.783 -2.569 -32.466 1.00 0.00 C ATOM 1558 O VAL A 102 -0.347 -2.744 -32.919 1.00 0.00 O ATOM 1559 CB VAL A 102 2.468 -3.520 -34.105 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.035 -2.130 -34.378 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.586 -4.544 -34.280 1.00 0.00 C ATOM 0 H VAL A 102 0.380 -5.073 -32.931 1.00 0.00 H new ATOM 0 HA VAL A 102 2.675 -3.439 -31.995 1.00 0.00 H new ATOM 0 HB VAL A 102 1.663 -3.721 -34.812 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.455 -2.099 -35.383 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.239 -1.390 -34.295 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.816 -1.907 -33.651 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.003 -4.460 -35.284 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.369 -4.357 -33.545 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.186 -5.548 -34.137 1.00 0.00 H new ATOM 1571 N GLN A 103 1.119 -1.483 -31.765 1.00 0.00 N ATOM 1572 CA GLN A 103 0.133 -0.480 -31.393 1.00 0.00 C ATOM 1573 C GLN A 103 0.774 0.898 -31.226 1.00 0.00 C ATOM 1574 O GLN A 103 1.985 1.008 -31.041 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.558 -0.945 -30.108 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.733 -0.038 -29.723 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.635 -0.673 -28.667 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -3.798 -0.300 -28.542 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -2.119 -1.629 -27.898 1.00 0.00 N ATOM 0 H GLN A 103 2.067 -1.281 -31.447 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.607 -0.375 -32.187 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.917 -1.966 -30.239 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.167 -0.964 -29.294 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.349 0.910 -29.347 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.322 0.187 -30.612 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.149 -1.918 -28.025 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.693 -2.073 -27.181 1.00 0.00 H new ATOM 1588 N LEU A 104 -0.042 1.951 -31.299 1.00 0.00 N ATOM 1589 CA LEU A 104 0.401 3.322 -31.080 1.00 0.00 C ATOM 1590 C LEU A 104 0.604 3.565 -29.580 1.00 0.00 C ATOM 1591 O LEU A 104 -0.043 2.927 -28.751 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.661 4.274 -31.648 1.00 0.00 C ATOM 1593 CG LEU A 104 -0.075 5.404 -32.499 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.225 6.202 -33.115 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.769 6.359 -31.665 1.00 0.00 C ATOM 0 H LEU A 104 -1.036 1.872 -31.514 1.00 0.00 H new ATOM 0 HA LEU A 104 1.351 3.500 -31.584 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.365 3.702 -32.253 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.228 4.707 -30.824 1.00 0.00 H new ATOM 0 HG LEU A 104 0.559 4.955 -33.264 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.821 7.011 -33.724 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.830 5.545 -33.739 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.844 6.620 -32.321 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.167 7.147 -32.305 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.152 6.803 -30.884 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.593 5.812 -31.208 1.00 0.00 H new ATOM 1607 N LYS A 105 1.500 4.490 -29.230 1.00 0.00 N ATOM 1608 CA LYS A 105 1.709 4.919 -27.853 1.00 0.00 C ATOM 1609 C LYS A 105 0.439 5.583 -27.317 1.00 0.00 C ATOM 1610 O LYS A 105 -0.393 6.059 -28.094 1.00 0.00 O ATOM 1611 CB LYS A 105 2.900 5.882 -27.822 1.00 0.00 C ATOM 1612 CG LYS A 105 3.185 6.430 -26.417 1.00 0.00 C ATOM 1613 CD LYS A 105 4.387 7.377 -26.423 1.00 0.00 C ATOM 1614 CE LYS A 105 4.118 8.597 -27.307 1.00 0.00 C ATOM 1615 NZ LYS A 105 2.965 9.385 -26.830 1.00 0.00 N ATOM 0 H LYS A 105 2.104 4.964 -29.902 1.00 0.00 H new ATOM 0 HA LYS A 105 1.927 4.064 -27.214 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.787 5.368 -28.193 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.707 6.714 -28.499 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.306 6.957 -26.045 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.375 5.603 -25.733 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.604 7.701 -25.405 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.269 6.849 -26.784 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.005 9.230 -27.330 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.934 8.269 -28.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.891 10.262 -27.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.094 8.829 -26.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.097 9.620 -25.826 1.00 0.00 H new ATOM 1629 N ARG A 106 0.290 5.622 -25.987 1.00 0.00 N ATOM 1630 CA ARG A 106 -0.819 6.301 -25.335 1.00 0.00 C ATOM 1631 C ARG A 106 -0.825 7.788 -25.684 1.00 0.00 C ATOM 1632 O ARG A 106 0.200 8.341 -26.086 1.00 0.00 O ATOM 1633 CB ARG A 106 -0.730 6.098 -23.820 1.00 0.00 C ATOM 1634 CG ARG A 106 -0.901 4.619 -23.462 1.00 0.00 C ATOM 1635 CD ARG A 106 -0.727 4.402 -21.960 1.00 0.00 C ATOM 1636 NE ARG A 106 0.660 4.658 -21.545 1.00 0.00 N ATOM 1637 CZ ARG A 106 1.033 5.526 -20.600 1.00 0.00 C ATOM 1638 NH1 ARG A 106 0.134 6.259 -19.945 1.00 0.00 N ATOM 1639 NH2 ARG A 106 2.320 5.662 -20.302 1.00 0.00 N ATOM 0 H ARG A 106 0.941 5.180 -25.338 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.755 5.872 -25.693 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.233 6.457 -23.456 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.499 6.689 -23.323 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.889 4.277 -23.772 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.171 4.021 -24.008 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.401 5.062 -21.414 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.004 3.380 -21.703 1.00 0.00 H new ATOM 0 HE ARG A 106 1.396 4.131 -22.016 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.858 6.163 -20.162 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.438 6.916 -19.227 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.019 5.105 -20.794 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.610 6.323 -19.581 1.00 0.00 H new ATOM 1653 N SER A 107 -1.983 8.436 -25.532 1.00 0.00 N ATOM 1654 CA SER A 107 -2.153 9.839 -25.884 1.00 0.00 C ATOM 1655 C SER A 107 -3.234 10.485 -25.027 1.00 0.00 C ATOM 1656 O SER A 107 -4.130 9.805 -24.527 1.00 0.00 O ATOM 1657 CB SER A 107 -2.534 9.937 -27.358 1.00 0.00 C ATOM 1658 OG SER A 107 -2.703 11.287 -27.732 1.00 0.00 O ATOM 0 H SER A 107 -2.826 7.998 -25.161 1.00 0.00 H new ATOM 0 HA SER A 107 -1.216 10.367 -25.704 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.760 9.477 -27.972 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.456 9.384 -27.540 1.00 0.00 H new ATOM 0 HG SER A 107 -1.841 11.659 -28.012 1.00 0.00 H new ATOM 1664 N LYS A 108 -3.153 11.810 -24.856 1.00 0.00 N ATOM 1665 CA LYS A 108 -4.137 12.563 -24.092 1.00 0.00 C ATOM 1666 C LYS A 108 -5.454 12.693 -24.851 1.00 0.00 C ATOM 1667 O LYS A 108 -6.454 13.127 -24.286 1.00 0.00 O ATOM 1668 CB LYS A 108 -3.579 13.942 -23.739 1.00 0.00 C ATOM 1669 CG LYS A 108 -2.318 13.802 -22.886 1.00 0.00 C ATOM 1670 CD LYS A 108 -1.859 15.160 -22.352 1.00 0.00 C ATOM 1671 CE LYS A 108 -1.517 16.116 -23.492 1.00 0.00 C ATOM 1672 NZ LYS A 108 -1.065 17.423 -22.976 1.00 0.00 N ATOM 0 H LYS A 108 -2.404 12.383 -25.245 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.344 12.017 -23.172 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.350 14.493 -24.651 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.330 14.518 -23.198 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.513 13.127 -22.052 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.522 13.354 -23.480 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.644 15.594 -21.733 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.987 15.026 -21.712 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.737 15.679 -24.115 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.391 16.256 -24.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.840 18.052 -23.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.820 17.849 -22.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.217 17.290 -22.389 1.00 0.00 H new ATOM 1686 N ASN A 109 -5.469 12.322 -26.138 1.00 0.00 N ATOM 1687 CA ASN A 109 -6.668 12.386 -26.958 1.00 0.00 C ATOM 1688 C ASN A 109 -7.723 11.377 -26.497 1.00 0.00 C ATOM 1689 O ASN A 109 -8.884 11.475 -26.893 1.00 0.00 O ATOM 1690 CB ASN A 109 -6.290 12.129 -28.421 1.00 0.00 C ATOM 1691 CG ASN A 109 -5.353 13.191 -28.977 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -5.189 14.265 -28.399 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -4.726 12.901 -30.113 1.00 0.00 N ATOM 0 H ASN A 109 -4.648 11.971 -26.631 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.104 13.380 -26.856 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.815 11.151 -28.504 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.196 12.096 -29.026 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.087 13.578 -30.530 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -4.884 12.001 -30.567 1.00 0.00 H new ATOM 1700 N ASP A 110 -7.328 10.410 -25.662 1.00 0.00 N ATOM 1701 CA ASP A 110 -8.247 9.427 -25.113 1.00 0.00 C ATOM 1702 C ASP A 110 -9.037 10.051 -23.957 1.00 0.00 C ATOM 1703 O ASP A 110 -10.170 9.653 -23.686 1.00 0.00 O ATOM 1704 CB ASP A 110 -7.418 8.238 -24.612 1.00 0.00 C ATOM 1705 CG ASP A 110 -8.276 7.075 -24.118 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -7.736 6.269 -23.331 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -9.455 6.992 -24.527 1.00 0.00 O ATOM 0 H ASP A 110 -6.363 10.293 -25.353 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.956 9.095 -25.871 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.772 7.888 -25.417 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.768 8.571 -23.803 1.00 0.00 H new ATOM 1712 N SER A 111 -8.447 11.033 -23.267 1.00 0.00 N ATOM 1713 CA SER A 111 -9.091 11.699 -22.141 1.00 0.00 C ATOM 1714 C SER A 111 -9.977 12.847 -22.616 1.00 0.00 C ATOM 1715 O SER A 111 -10.991 13.155 -21.986 1.00 0.00 O ATOM 1716 CB SER A 111 -8.011 12.211 -21.188 1.00 0.00 C ATOM 1717 OG SER A 111 -8.590 12.907 -20.106 1.00 0.00 O ATOM 0 H SER A 111 -7.512 11.384 -23.476 1.00 0.00 H new ATOM 0 HA SER A 111 -9.732 10.987 -21.621 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.422 11.373 -20.815 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.327 12.868 -21.725 1.00 0.00 H new ATOM 0 HG SER A 111 -7.883 13.226 -19.506 1.00 0.00 H new ATOM 1723 N LYS A 112 -9.600 13.488 -23.726 1.00 0.00 N ATOM 1724 CA LYS A 112 -10.367 14.583 -24.306 1.00 0.00 C ATOM 1725 C LYS A 112 -11.600 14.065 -25.040 1.00 0.00 C ATOM 1726 O LYS A 112 -11.612 12.923 -25.498 1.00 0.00 O ATOM 1727 CB LYS A 112 -9.475 15.387 -25.259 1.00 0.00 C ATOM 1728 CG LYS A 112 -8.366 16.101 -24.483 1.00 0.00 C ATOM 1729 CD LYS A 112 -7.505 16.952 -25.416 1.00 0.00 C ATOM 1730 CE LYS A 112 -6.815 16.072 -26.462 1.00 0.00 C ATOM 1731 NZ LYS A 112 -5.941 16.861 -27.347 1.00 0.00 N ATOM 0 H LYS A 112 -8.752 13.258 -24.245 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.710 15.231 -23.500 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.036 14.722 -26.003 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.077 16.118 -25.800 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.806 16.733 -23.711 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.741 15.366 -23.975 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.125 17.698 -25.912 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.757 17.493 -24.837 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.227 15.304 -25.960 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.568 15.558 -27.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.414 16.221 -27.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.520 17.508 -27.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -5.271 17.411 -26.773 1.00 0.00 H new ATOM 1745 N PRO A 113 -12.646 14.891 -25.162 1.00 0.00 N ATOM 1746 CA PRO A 113 -13.866 14.545 -25.876 1.00 0.00 C ATOM 1747 C PRO A 113 -13.644 14.586 -27.389 1.00 0.00 C ATOM 1748 O PRO A 113 -14.485 14.106 -28.143 1.00 0.00 O ATOM 1749 CB PRO A 113 -14.879 15.602 -25.442 1.00 0.00 C ATOM 1750 CG PRO A 113 -14.012 16.833 -25.194 1.00 0.00 C ATOM 1751 CD PRO A 113 -12.723 16.238 -24.626 1.00 0.00 C ATOM 0 HA PRO A 113 -14.204 13.534 -25.650 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -15.627 15.785 -26.214 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.416 15.300 -24.543 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.829 17.389 -26.113 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.482 17.523 -24.492 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -11.855 16.828 -24.922 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -12.744 16.226 -23.536 1.00 0.00 H new ATOM 1759 N TRP A 114 -12.514 15.158 -27.820 1.00 0.00 N ATOM 1760 CA TRP A 114 -12.128 15.258 -29.218 1.00 0.00 C ATOM 1761 C TRP A 114 -10.623 15.089 -29.394 1.00 0.00 C ATOM 1762 O TRP A 114 -10.234 14.287 -30.273 1.00 0.00 O ATOM 1763 CB TRP A 114 -12.591 16.598 -29.790 1.00 0.00 C ATOM 1764 CG TRP A 114 -14.074 16.782 -29.894 1.00 0.00 C ATOM 1765 CD1 TRP A 114 -14.854 17.370 -28.961 1.00 0.00 C ATOM 1766 CD2 TRP A 114 -14.991 16.323 -30.937 1.00 0.00 C ATOM 1767 NE1 TRP A 114 -16.173 17.337 -29.362 1.00 0.00 N ATOM 1768 CE2 TRP A 114 -16.315 16.698 -30.576 1.00 0.00 C ATOM 1769 CE3 TRP A 114 -14.841 15.632 -32.155 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 -17.428 16.404 -31.374 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 -15.949 15.335 -32.967 1.00 0.00 C ATOM 1772 CH2 TRP A 114 -17.241 15.720 -32.579 1.00 0.00 C ATOM 0 H TRP A 114 -11.831 15.572 -27.185 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.613 14.450 -29.765 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -12.187 17.397 -29.168 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -12.158 16.717 -30.783 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -14.497 17.802 -28.038 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -16.946 17.735 -28.828 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -13.855 15.324 -32.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -18.418 16.702 -31.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -15.805 14.806 -33.897 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -18.088 15.489 -33.208 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 3.185 -14.098 -24.429 1.00 0.00 O ATOM 1785 C5' U B 115 2.823 -13.143 -23.455 1.00 0.00 C ATOM 1786 C4' U B 115 2.722 -11.766 -24.113 1.00 0.00 C ATOM 1787 O4' U B 115 1.597 -11.725 -24.975 1.00 0.00 O ATOM 1788 C3' U B 115 2.478 -10.694 -23.052 1.00 0.00 C ATOM 1789 O3' U B 115 2.865 -9.435 -23.554 1.00 0.00 O ATOM 1790 C2' U B 115 0.967 -10.763 -22.902 1.00 0.00 C ATOM 1791 O2' U B 115 0.430 -9.579 -22.353 1.00 0.00 O ATOM 1792 C1' U B 115 0.556 -10.984 -24.356 1.00 0.00 C ATOM 1793 N1 U B 115 -0.747 -11.676 -24.502 1.00 0.00 N ATOM 1794 C2 U B 115 -1.679 -11.109 -25.360 1.00 0.00 C ATOM 1795 O2 U B 115 -1.455 -10.079 -25.997 1.00 0.00 O ATOM 1796 N3 U B 115 -2.893 -11.764 -25.469 1.00 0.00 N ATOM 1797 C4 U B 115 -3.247 -12.934 -24.821 1.00 0.00 C ATOM 1798 O4 U B 115 -4.355 -13.434 -24.999 1.00 0.00 O ATOM 1799 C5 U B 115 -2.214 -13.465 -23.959 1.00 0.00 C ATOM 1800 C6 U B 115 -1.025 -12.831 -23.821 1.00 0.00 C ATOM 0 H5' U B 115 3.563 -13.123 -22.655 1.00 0.00 H new ATOM 0 H5'' U B 115 1.870 -13.413 -23.001 1.00 0.00 H new ATOM 0 H4' U B 115 3.651 -11.588 -24.654 1.00 0.00 H new ATOM 0 H3' U B 115 3.026 -10.837 -22.121 1.00 0.00 H new ATOM 0 H2' U B 115 0.610 -11.530 -22.215 1.00 0.00 H new ATOM 0 HO2' U B 115 0.397 -8.884 -23.043 1.00 0.00 H new ATOM 0 HO5' U B 115 3.252 -14.982 -24.011 1.00 0.00 H new ATOM 0 H1' U B 115 0.414 -10.015 -24.835 1.00 0.00 H new ATOM 0 H3 U B 115 -3.591 -11.346 -26.084 1.00 0.00 H new ATOM 0 H5 U B 115 -2.394 -14.382 -23.417 1.00 0.00 H new ATOM 0 H6 U B 115 -0.279 -13.246 -23.159 1.00 0.00 H new ATOM 1811 P U B 116 4.418 -9.047 -23.693 1.00 0.00 P ATOM 1812 OP1 U B 116 4.819 -9.272 -25.101 1.00 0.00 O ATOM 1813 OP2 U B 116 5.166 -9.704 -22.595 1.00 0.00 O ATOM 1814 O5' U B 116 4.385 -7.467 -23.402 1.00 0.00 O ATOM 1815 C5' U B 116 3.951 -6.975 -22.148 1.00 0.00 C ATOM 1816 C4' U B 116 3.998 -5.450 -22.160 1.00 0.00 C ATOM 1817 O4' U B 116 3.094 -4.955 -23.131 1.00 0.00 O ATOM 1818 C3' U B 116 3.532 -4.885 -20.821 1.00 0.00 C ATOM 1819 O3' U B 116 4.074 -3.582 -20.684 1.00 0.00 O ATOM 1820 C2' U B 116 2.021 -4.872 -21.026 1.00 0.00 C ATOM 1821 O2' U B 116 1.354 -3.938 -20.204 1.00 0.00 O ATOM 1822 C1' U B 116 1.896 -4.527 -22.503 1.00 0.00 C ATOM 1823 N1 U B 116 0.703 -5.208 -23.067 1.00 0.00 N ATOM 1824 C2 U B 116 -0.501 -4.519 -23.079 1.00 0.00 C ATOM 1825 O2 U B 116 -0.628 -3.391 -22.606 1.00 0.00 O ATOM 1826 N3 U B 116 -1.580 -5.166 -23.658 1.00 0.00 N ATOM 1827 C4 U B 116 -1.572 -6.442 -24.185 1.00 0.00 C ATOM 1828 O4 U B 116 -2.591 -6.923 -24.679 1.00 0.00 O ATOM 1829 C5 U B 116 -0.291 -7.103 -24.097 1.00 0.00 C ATOM 1830 C6 U B 116 0.783 -6.488 -23.552 1.00 0.00 C ATOM 0 H5' U B 116 4.587 -7.363 -21.352 1.00 0.00 H new ATOM 0 H5'' U B 116 2.937 -7.317 -21.941 1.00 0.00 H new ATOM 0 H4' U B 116 5.026 -5.155 -22.370 1.00 0.00 H new ATOM 0 H3' U B 116 3.829 -5.431 -19.925 1.00 0.00 H new ATOM 0 H2' U B 116 1.552 -5.817 -20.753 1.00 0.00 H new ATOM 0 HO2' U B 116 1.938 -3.681 -19.461 1.00 0.00 H new ATOM 0 H1' U B 116 1.762 -3.457 -22.663 1.00 0.00 H new ATOM 0 H3 U B 116 -2.461 -4.653 -23.699 1.00 0.00 H new ATOM 0 H5 U B 116 -0.189 -8.110 -24.474 1.00 0.00 H new ATOM 0 H6 U B 116 1.723 -7.016 -23.498 1.00 0.00 H new ATOM 1841 P U B 117 4.458 -2.975 -19.240 1.00 0.00 P ATOM 1842 OP1 U B 117 5.726 -3.594 -18.790 1.00 0.00 O ATOM 1843 OP2 U B 117 3.271 -3.019 -18.356 1.00 0.00 O ATOM 1844 O5' U B 117 4.741 -1.439 -19.620 1.00 0.00 O ATOM 1845 C5' U B 117 5.926 -1.084 -20.303 1.00 0.00 C ATOM 1846 C4' U B 117 5.847 0.340 -20.854 1.00 0.00 C ATOM 1847 O4' U B 117 4.952 0.377 -21.945 1.00 0.00 O ATOM 1848 C3' U B 117 5.336 1.337 -19.811 1.00 0.00 C ATOM 1849 O3' U B 117 5.959 2.590 -20.027 1.00 0.00 O ATOM 1850 C2' U B 117 3.863 1.436 -20.182 1.00 0.00 C ATOM 1851 O2' U B 117 3.265 2.635 -19.730 1.00 0.00 O ATOM 1852 C1' U B 117 3.987 1.379 -21.699 1.00 0.00 C ATOM 1853 N1 U B 117 2.722 1.033 -22.380 1.00 0.00 N ATOM 1854 C2 U B 117 2.098 2.006 -23.144 1.00 0.00 C ATOM 1855 O2 U B 117 2.518 3.162 -23.224 1.00 0.00 O ATOM 1856 N3 U B 117 0.961 1.610 -23.828 1.00 0.00 N ATOM 1857 C4 U B 117 0.383 0.356 -23.782 1.00 0.00 C ATOM 1858 O4 U B 117 -0.633 0.115 -24.429 1.00 0.00 O ATOM 1859 C5 U B 117 1.079 -0.581 -22.928 1.00 0.00 C ATOM 1860 C6 U B 117 2.198 -0.226 -22.259 1.00 0.00 C ATOM 0 H5' U B 117 6.100 -1.783 -21.121 1.00 0.00 H new ATOM 0 H5'' U B 117 6.777 -1.167 -19.626 1.00 0.00 H new ATOM 0 H4' U B 117 6.858 0.620 -21.151 1.00 0.00 H new ATOM 0 H3' U B 117 5.522 1.050 -18.776 1.00 0.00 H new ATOM 0 H2' U B 117 3.222 0.673 -19.739 1.00 0.00 H new ATOM 0 HO2' U B 117 3.960 3.306 -19.566 1.00 0.00 H new ATOM 0 H1' U B 117 4.262 2.359 -22.089 1.00 0.00 H new ATOM 0 H3 U B 117 0.509 2.307 -24.419 1.00 0.00 H new ATOM 0 H5 U B 117 0.696 -1.585 -22.823 1.00 0.00 H new ATOM 0 H6 U B 117 2.686 -0.946 -21.619 1.00 0.00 H new ATOM 1871 P A B 118 6.732 3.368 -18.849 1.00 0.00 P ATOM 1872 OP1 A B 118 6.160 2.955 -17.544 1.00 0.00 O ATOM 1873 OP2 A B 118 6.769 4.806 -19.201 1.00 0.00 O ATOM 1874 O5' A B 118 8.236 2.798 -18.959 1.00 0.00 O ATOM 1875 C5' A B 118 8.568 1.513 -18.491 1.00 0.00 C ATOM 1876 C4' A B 118 10.066 1.256 -18.662 1.00 0.00 C ATOM 1877 O4' A B 118 10.375 1.035 -20.028 1.00 0.00 O ATOM 1878 C3' A B 118 10.893 2.437 -18.144 1.00 0.00 C ATOM 1879 O3' A B 118 11.979 2.038 -17.333 1.00 0.00 O ATOM 1880 C2' A B 118 11.410 3.105 -19.414 1.00 0.00 C ATOM 1881 O2' A B 118 12.794 3.393 -19.343 1.00 0.00 O ATOM 1882 C1' A B 118 11.123 2.121 -20.544 1.00 0.00 C ATOM 1883 N9 A B 118 10.401 2.831 -21.614 1.00 0.00 N ATOM 1884 C8 A B 118 9.059 2.888 -21.895 1.00 0.00 C ATOM 1885 N7 A B 118 8.764 3.668 -22.901 1.00 0.00 N ATOM 1886 C5 A B 118 10.002 4.149 -23.319 1.00 0.00 C ATOM 1887 C6 A B 118 10.410 5.039 -24.331 1.00 0.00 C ATOM 1888 N6 A B 118 9.559 5.648 -25.161 1.00 0.00 N ATOM 1889 N1 A B 118 11.720 5.289 -24.471 1.00 0.00 N ATOM 1890 C2 A B 118 12.582 4.687 -23.660 1.00 0.00 C ATOM 1891 N3 A B 118 12.336 3.841 -22.673 1.00 0.00 N ATOM 1892 C4 A B 118 11.007 3.618 -22.557 1.00 0.00 C ATOM 0 H5' A B 118 7.999 0.761 -19.037 1.00 0.00 H new ATOM 0 H5'' A B 118 8.294 1.419 -17.440 1.00 0.00 H new ATOM 0 H4' A B 118 10.317 0.369 -18.080 1.00 0.00 H new ATOM 0 H3' A B 118 10.291 3.089 -17.511 1.00 0.00 H new ATOM 0 H2' A B 118 10.918 4.065 -19.569 1.00 0.00 H new ATOM 0 HO2' A B 118 13.247 2.694 -18.827 1.00 0.00 H new ATOM 0 H1' A B 118 12.045 1.721 -20.965 1.00 0.00 H new ATOM 0 H8 A B 118 8.315 2.339 -21.336 1.00 0.00 H new ATOM 0 H61 A B 118 9.911 6.284 -25.877 1.00 0.00 H new ATOM 0 H62 A B 118 8.557 5.477 -25.079 1.00 0.00 H new ATOM 0 H2 A B 118 13.623 4.919 -23.829 1.00 0.00 H new ATOM 1904 P A B 119 11.754 1.415 -15.869 1.00 0.00 P ATOM 1905 OP1 A B 119 10.433 1.854 -15.368 1.00 0.00 O ATOM 1906 OP2 A B 119 12.963 1.683 -15.058 1.00 0.00 O ATOM 1907 O5' A B 119 11.683 -0.163 -16.160 1.00 0.00 O ATOM 1908 C5' A B 119 12.824 -0.863 -16.607 1.00 0.00 C ATOM 1909 C4' A B 119 12.602 -1.349 -18.037 1.00 0.00 C ATOM 1910 O4' A B 119 12.759 -0.305 -18.982 1.00 0.00 O ATOM 1911 C3' A B 119 13.633 -2.422 -18.362 1.00 0.00 C ATOM 1912 O3' A B 119 13.018 -3.450 -19.102 1.00 0.00 O ATOM 1913 C2' A B 119 14.694 -1.701 -19.175 1.00 0.00 C ATOM 1914 O2' A B 119 15.137 -2.474 -20.278 1.00 0.00 O ATOM 1915 C1' A B 119 14.015 -0.415 -19.631 1.00 0.00 C ATOM 1916 N9 A B 119 14.908 0.722 -19.350 1.00 0.00 N ATOM 1917 C8 A B 119 14.979 1.521 -18.243 1.00 0.00 C ATOM 1918 N7 A B 119 15.918 2.429 -18.296 1.00 0.00 N ATOM 1919 C5 A B 119 16.508 2.211 -19.541 1.00 0.00 C ATOM 1920 C6 A B 119 17.579 2.816 -20.227 1.00 0.00 C ATOM 1921 N6 A B 119 18.294 3.835 -19.733 1.00 0.00 N ATOM 1922 N1 A B 119 17.907 2.345 -21.437 1.00 0.00 N ATOM 1923 C2 A B 119 17.207 1.338 -21.946 1.00 0.00 C ATOM 1924 N3 A B 119 16.186 0.685 -21.420 1.00 0.00 N ATOM 1925 C4 A B 119 15.889 1.181 -20.192 1.00 0.00 C ATOM 0 H5' A B 119 13.022 -1.711 -15.951 1.00 0.00 H new ATOM 0 H5'' A B 119 13.700 -0.215 -16.565 1.00 0.00 H new ATOM 0 H4' A B 119 11.583 -1.732 -18.099 1.00 0.00 H new ATOM 0 H3' A B 119 14.066 -2.890 -17.478 1.00 0.00 H new ATOM 0 H2' A B 119 15.593 -1.511 -18.589 1.00 0.00 H new ATOM 0 HO2' A B 119 15.613 -1.897 -20.912 1.00 0.00 H new ATOM 0 HO3' A B 119 13.560 -4.265 -19.043 1.00 0.00 H new ATOM 0 H1' A B 119 13.827 -0.422 -20.705 1.00 0.00 H new ATOM 0 H8 A B 119 14.316 1.411 -17.397 1.00 0.00 H new ATOM 0 H61 A B 119 19.059 4.232 -20.278 1.00 0.00 H new ATOM 0 H62 A B 119 18.073 4.214 -18.812 1.00 0.00 H new ATOM 0 H2 A B 119 17.515 1.007 -22.927 1.00 0.00 H new TER 1937 A B 119