USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=38 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 35 HIS : no HE2:sc= -1.52! C(o=-0.22!,f=-15!) USER MOD Set 1.2: B 115 U O2' : rot 66:sc= 1.3 USER MOD Set 2.1: A 109 ASN : amide:sc= 1.03 K(o=1.6,f=-5.3) USER MOD Set 2.2: A 112 LYS NZ :NH3+ -167:sc= 0.542! (180deg=-0.482!) USER MOD Set 3.1: A 48 MET CE :methyl -179:sc= -0.047 (180deg=-0.0578) USER MOD Set 3.2: A 90 MET CE :methyl 171:sc= -0.486 (180deg=-0.486) USER MOD Set 4.1: A 79 ASN :FLIP amide:sc= 0.375 F(o=0.2,f=1) USER MOD Set 4.2: A 82 SER OG : rot 100:sc= 0.628 USER MOD Set 5.1: A 70 LYS NZ :NH3+ 166:sc= 0.683 (180deg=0) USER MOD Set 5.2: B 119 A O3' : rot -173:sc= 1.25 USER MOD Set 6.1: A 47 GLN :FLIP amide:sc= -0.239 F(o=-2.1!,f=-1.1) USER MOD Set 6.2: A 50 MET CE :methyl -170:sc= -0.821 (180deg=-0.743) USER MOD Set 7.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 21 MET CE :methyl -167:sc= -0.0206 (180deg=-0.275) USER MOD Set 8.1: A 10 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-4.2!) USER MOD Set 8.2: A 11 SER OG : rot 180:sc= 0 USER MOD Set 9.1: A 4 SER OG : rot 180:sc= -0.0258 USER MOD Set 9.2: A 5 HIS : no HD1:sc= 0 X(o=-0.026,f=-0.026) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 1.52 (180deg=0.614) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 6 HIS : no HD1:sc= -0.953 X(o=-0.95,f=-1) USER MOD Single : A 7 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.019) USER MOD Single : A 8 HIS : no HD1:sc= 0.391 K(o=0.39,f=-2.1!) USER MOD Single : A 9 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-1.7) USER MOD Single : A 12 SER OG : rot 180:sc= -0.118 USER MOD Single : A 20 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-0.8) USER MOD Single : A 22 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.2!) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 1.82 (180deg=1.78) USER MOD Single : A 30 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.16) USER MOD Single : A 34 TYR OH : rot -73:sc= 0.79 USER MOD Single : A 38 GLN : amide:sc= -0.739 K(o=-0.74,f=-2.6!) USER MOD Single : A 43 GLN : amide:sc= -0.0835 X(o=-0.083,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.984 K(o=0.98,f=-0.49) USER MOD Single : A 57 SER OG : rot -120:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 1.88 (180deg=1.67) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc=-0.00476 (180deg=-0.102) USER MOD Single : A 65 GLN : amide:sc= 0.92 K(o=0.92,f=-0.016) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 67 ASN : amide:sc= -0.25 K(o=-0.25,f=-1) USER MOD Single : A 69 SER OG : rot 180:sc= 0.294 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -166:sc= 0.664 USER MOD Single : A 77 TYR OH : rot -159:sc= 0.462 USER MOD Single : A 84 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.63) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 91 ASN : amide:sc=-0.00225 K(o=-0.0023,f=-1.9) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0354) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00326) USER MOD Single : A 103 GLN : amide:sc= -0.541! C(o=-0.54!,f=-4.2!) USER MOD Single : A 105 LYS NZ :NH3+ 171:sc= 1.92 (180deg=1.83) USER MOD Single : A 107 SER OG : rot 180:sc= 0 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 O5' : rot 180:sc= 0 USER MOD Single : B 116 U O2' : rot -32:sc= 1.2 USER MOD Single : B 117 U O2' : rot 33:sc= 0.0617 USER MOD Single : B 118 A O2' : rot 47:sc= 0.884 USER MOD Single : B 119 A O2' : rot 67:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.898 25.597 -31.982 1.00 0.00 N ATOM 2 CA MET A 1 2.588 25.701 -33.282 1.00 0.00 C ATOM 3 C MET A 1 3.029 24.322 -33.769 1.00 0.00 C ATOM 4 O MET A 1 3.094 23.377 -32.983 1.00 0.00 O ATOM 5 CB MET A 1 3.792 26.650 -33.211 1.00 0.00 C ATOM 6 CG MET A 1 3.368 28.094 -32.925 1.00 0.00 C ATOM 7 SD MET A 1 2.867 28.427 -31.216 1.00 0.00 S ATOM 8 CE MET A 1 2.475 30.189 -31.366 1.00 0.00 C ATOM 0 H1 MET A 1 2.187 26.388 -31.371 1.00 0.00 H new ATOM 0 H2 MET A 1 0.869 25.633 -32.131 1.00 0.00 H new ATOM 0 H3 MET A 1 2.151 24.697 -31.526 1.00 0.00 H new ATOM 0 HA MET A 1 1.877 26.117 -33.996 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.475 26.312 -32.432 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.339 26.613 -34.153 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.196 28.756 -33.180 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.540 28.350 -33.586 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.145 30.572 -30.400 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.363 30.733 -31.687 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.681 30.324 -32.101 1.00 0.00 H new ATOM 20 N GLY A 2 3.333 24.204 -35.063 1.00 0.00 N ATOM 21 CA GLY A 2 3.774 22.953 -35.650 1.00 0.00 C ATOM 22 C GLY A 2 4.137 23.127 -37.122 1.00 0.00 C ATOM 23 O GLY A 2 4.058 24.231 -37.662 1.00 0.00 O ATOM 0 H GLY A 2 3.278 24.977 -35.727 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.638 22.577 -35.102 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.986 22.206 -35.554 1.00 0.00 H new ATOM 27 N SER A 3 4.532 22.030 -37.768 1.00 0.00 N ATOM 28 CA SER A 3 4.893 22.020 -39.180 1.00 0.00 C ATOM 29 C SER A 3 3.656 22.227 -40.058 1.00 0.00 C ATOM 30 O SER A 3 2.523 22.129 -39.581 1.00 0.00 O ATOM 31 CB SER A 3 5.583 20.695 -39.503 1.00 0.00 C ATOM 32 OG SER A 3 6.005 20.670 -40.849 1.00 0.00 O ATOM 0 H SER A 3 4.610 21.117 -37.320 1.00 0.00 H new ATOM 0 HA SER A 3 5.578 22.842 -39.389 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.441 20.555 -38.845 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.899 19.867 -39.315 1.00 0.00 H new ATOM 0 HG SER A 3 6.446 19.815 -41.038 1.00 0.00 H new ATOM 38 N SER A 4 3.869 22.517 -41.344 1.00 0.00 N ATOM 39 CA SER A 4 2.800 22.757 -42.301 1.00 0.00 C ATOM 40 C SER A 4 3.208 22.262 -43.689 1.00 0.00 C ATOM 41 O SER A 4 4.391 22.050 -43.954 1.00 0.00 O ATOM 42 CB SER A 4 2.454 24.248 -42.313 1.00 0.00 C ATOM 43 OG SER A 4 1.403 24.504 -43.218 1.00 0.00 O ATOM 0 H SER A 4 4.802 22.591 -41.749 1.00 0.00 H new ATOM 0 HA SER A 4 1.911 22.200 -42.005 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.166 24.569 -41.312 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.333 24.829 -42.593 1.00 0.00 H new ATOM 0 HG SER A 4 1.193 25.461 -43.213 1.00 0.00 H new ATOM 49 N HIS A 5 2.221 22.078 -44.574 1.00 0.00 N ATOM 50 CA HIS A 5 2.414 21.513 -45.908 1.00 0.00 C ATOM 51 C HIS A 5 3.083 20.139 -45.854 1.00 0.00 C ATOM 52 O HIS A 5 3.646 19.681 -46.848 1.00 0.00 O ATOM 53 CB HIS A 5 3.162 22.497 -46.814 1.00 0.00 C ATOM 54 CG HIS A 5 2.507 23.850 -46.867 1.00 0.00 C ATOM 55 ND1 HIS A 5 1.254 24.119 -47.422 1.00 0.00 N ATOM 56 CD2 HIS A 5 3.054 25.015 -46.413 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.074 25.441 -47.272 1.00 0.00 C ATOM 58 NE2 HIS A 5 2.135 26.002 -46.670 1.00 0.00 N ATOM 0 H HIS A 5 1.251 22.323 -44.377 1.00 0.00 H new ATOM 0 HA HIS A 5 1.431 21.352 -46.350 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.186 22.607 -46.457 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.219 22.086 -47.822 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.019 25.136 -45.944 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.195 25.980 -47.592 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.240 26.991 -46.443 1.00 0.00 H new ATOM 66 N HIS A 6 3.020 19.482 -44.693 1.00 0.00 N ATOM 67 CA HIS A 6 3.632 18.184 -44.455 1.00 0.00 C ATOM 68 C HIS A 6 2.902 17.495 -43.300 1.00 0.00 C ATOM 69 O HIS A 6 2.049 18.100 -42.651 1.00 0.00 O ATOM 70 CB HIS A 6 5.118 18.383 -44.130 1.00 0.00 C ATOM 71 CG HIS A 6 5.874 17.094 -43.930 1.00 0.00 C ATOM 72 ND1 HIS A 6 6.100 16.128 -44.912 1.00 0.00 N ATOM 73 CD2 HIS A 6 6.472 16.701 -42.768 1.00 0.00 C ATOM 74 CE1 HIS A 6 6.828 15.174 -44.313 1.00 0.00 C ATOM 75 NE2 HIS A 6 7.066 15.486 -43.026 1.00 0.00 N ATOM 0 H HIS A 6 2.530 19.851 -43.878 1.00 0.00 H new ATOM 0 HA HIS A 6 3.554 17.553 -45.341 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.585 18.946 -44.938 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.205 18.989 -43.228 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.478 17.237 -41.831 1.00 0.00 H new ATOM 0 HE1 HIS A 6 7.177 14.275 -44.799 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.593 14.922 -42.359 1.00 0.00 H new ATOM 83 N HIS A 7 3.234 16.227 -43.042 1.00 0.00 N ATOM 84 CA HIS A 7 2.651 15.474 -41.940 1.00 0.00 C ATOM 85 C HIS A 7 2.972 16.138 -40.602 1.00 0.00 C ATOM 86 O HIS A 7 3.892 16.950 -40.505 1.00 0.00 O ATOM 87 CB HIS A 7 3.163 14.035 -41.982 1.00 0.00 C ATOM 88 CG HIS A 7 2.849 13.363 -43.291 1.00 0.00 C ATOM 89 ND1 HIS A 7 1.581 12.946 -43.707 1.00 0.00 N ATOM 90 CD2 HIS A 7 3.762 13.038 -44.252 1.00 0.00 C ATOM 91 CE1 HIS A 7 1.764 12.392 -44.916 1.00 0.00 C ATOM 92 NE2 HIS A 7 3.062 12.430 -45.267 1.00 0.00 N ATOM 0 H HIS A 7 3.912 15.700 -43.592 1.00 0.00 H new ATOM 0 HA HIS A 7 1.566 15.463 -42.045 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.241 14.029 -41.821 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.716 13.467 -41.166 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.826 13.222 -44.221 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.976 11.973 -45.524 1.00 0.00 H new ATOM 0 HE2 HIS A 7 3.458 12.070 -46.135 1.00 0.00 H new ATOM 100 N HIS A 8 2.205 15.791 -39.565 1.00 0.00 N ATOM 101 CA HIS A 8 2.322 16.424 -38.261 1.00 0.00 C ATOM 102 C HIS A 8 3.742 16.296 -37.715 1.00 0.00 C ATOM 103 O HIS A 8 4.307 15.202 -37.675 1.00 0.00 O ATOM 104 CB HIS A 8 1.319 15.799 -37.290 1.00 0.00 C ATOM 105 CG HIS A 8 -0.094 15.783 -37.815 1.00 0.00 C ATOM 106 ND1 HIS A 8 -0.561 14.976 -38.857 1.00 0.00 N ATOM 107 CD2 HIS A 8 -1.126 16.530 -37.329 1.00 0.00 C ATOM 108 CE1 HIS A 8 -1.866 15.271 -38.974 1.00 0.00 C ATOM 109 NE2 HIS A 8 -2.232 16.200 -38.074 1.00 0.00 N ATOM 0 H HIS A 8 1.490 15.065 -39.611 1.00 0.00 H new ATOM 0 HA HIS A 8 2.100 17.486 -38.371 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.628 14.777 -37.068 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.343 16.350 -36.350 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.082 17.241 -36.518 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.533 14.822 -39.695 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.167 16.591 -37.964 1.00 0.00 H new ATOM 117 N HIS A 9 4.312 17.430 -37.294 1.00 0.00 N ATOM 118 CA HIS A 9 5.654 17.499 -36.739 1.00 0.00 C ATOM 119 C HIS A 9 5.830 18.816 -35.983 1.00 0.00 C ATOM 120 O HIS A 9 4.995 19.715 -36.091 1.00 0.00 O ATOM 121 CB HIS A 9 6.677 17.382 -37.872 1.00 0.00 C ATOM 122 CG HIS A 9 8.100 17.447 -37.382 1.00 0.00 C ATOM 123 ND1 HIS A 9 8.702 16.523 -36.524 1.00 0.00 N ATOM 124 CD2 HIS A 9 9.013 18.402 -37.725 1.00 0.00 C ATOM 125 CE1 HIS A 9 9.963 16.955 -36.365 1.00 0.00 C ATOM 126 NE2 HIS A 9 10.175 18.081 -37.066 1.00 0.00 N ATOM 0 H HIS A 9 3.842 18.334 -37.333 1.00 0.00 H new ATOM 0 HA HIS A 9 5.810 16.677 -36.040 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.522 16.441 -38.400 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.508 18.183 -38.592 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.854 19.243 -38.384 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.707 16.463 -35.756 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.048 18.607 -37.103 1.00 0.00 H new ATOM 134 N HIS A 10 6.917 18.930 -35.216 1.00 0.00 N ATOM 135 CA HIS A 10 7.238 20.128 -34.453 1.00 0.00 C ATOM 136 C HIS A 10 7.502 21.310 -35.389 1.00 0.00 C ATOM 137 O HIS A 10 7.780 21.119 -36.572 1.00 0.00 O ATOM 138 CB HIS A 10 8.444 19.822 -33.559 1.00 0.00 C ATOM 139 CG HIS A 10 8.735 20.886 -32.531 1.00 0.00 C ATOM 140 ND1 HIS A 10 9.424 22.077 -32.767 1.00 0.00 N ATOM 141 CD2 HIS A 10 8.385 20.827 -31.213 1.00 0.00 C ATOM 142 CE1 HIS A 10 9.461 22.711 -31.583 1.00 0.00 C ATOM 143 NE2 HIS A 10 8.843 21.985 -30.635 1.00 0.00 N ATOM 0 H HIS A 10 7.603 18.183 -35.109 1.00 0.00 H new ATOM 0 HA HIS A 10 6.395 20.413 -33.824 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.272 18.875 -33.047 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.324 19.689 -34.188 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.852 20.026 -30.721 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.924 23.672 -31.416 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.733 22.249 -29.656 1.00 0.00 H new ATOM 151 N SER A 11 7.418 22.537 -34.860 1.00 0.00 N ATOM 152 CA SER A 11 7.620 23.759 -35.632 1.00 0.00 C ATOM 153 C SER A 11 9.094 23.990 -35.979 1.00 0.00 C ATOM 154 O SER A 11 9.432 25.027 -36.547 1.00 0.00 O ATOM 155 CB SER A 11 7.058 24.952 -34.854 1.00 0.00 C ATOM 156 OG SER A 11 7.767 25.119 -33.640 1.00 0.00 O ATOM 0 H SER A 11 7.206 22.706 -33.877 1.00 0.00 H new ATOM 0 HA SER A 11 7.087 23.651 -36.577 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.134 25.857 -35.456 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.999 24.795 -34.647 1.00 0.00 H new ATOM 0 HG SER A 11 7.401 25.885 -33.150 1.00 0.00 H new ATOM 162 N SER A 12 9.974 23.041 -35.645 1.00 0.00 N ATOM 163 CA SER A 12 11.399 23.146 -35.898 1.00 0.00 C ATOM 164 C SER A 12 11.987 21.769 -36.201 1.00 0.00 C ATOM 165 O SER A 12 11.304 20.752 -36.063 1.00 0.00 O ATOM 166 CB SER A 12 12.066 23.791 -34.681 1.00 0.00 C ATOM 167 OG SER A 12 13.448 23.960 -34.905 1.00 0.00 O ATOM 0 H SER A 12 9.705 22.171 -35.186 1.00 0.00 H new ATOM 0 HA SER A 12 11.582 23.772 -36.772 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.604 24.757 -34.476 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.908 23.169 -33.800 1.00 0.00 H new ATOM 0 HG SER A 12 13.859 24.375 -34.118 1.00 0.00 H new ATOM 173 N GLY A 13 13.255 21.730 -36.615 1.00 0.00 N ATOM 174 CA GLY A 13 13.936 20.492 -36.962 1.00 0.00 C ATOM 175 C GLY A 13 14.166 19.615 -35.736 1.00 0.00 C ATOM 176 O GLY A 13 13.935 20.037 -34.601 1.00 0.00 O ATOM 0 H GLY A 13 13.836 22.562 -36.718 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.345 19.944 -37.696 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.893 20.722 -37.431 1.00 0.00 H new ATOM 180 N LEU A 14 14.624 18.380 -35.969 1.00 0.00 N ATOM 181 CA LEU A 14 14.852 17.418 -34.903 1.00 0.00 C ATOM 182 C LEU A 14 16.013 16.492 -35.266 1.00 0.00 C ATOM 183 O LEU A 14 16.211 16.165 -36.435 1.00 0.00 O ATOM 184 CB LEU A 14 13.554 16.636 -34.664 1.00 0.00 C ATOM 185 CG LEU A 14 13.703 15.509 -33.634 1.00 0.00 C ATOM 186 CD1 LEU A 14 14.027 16.070 -32.251 1.00 0.00 C ATOM 187 CD2 LEU A 14 12.391 14.737 -33.554 1.00 0.00 C ATOM 0 H LEU A 14 14.844 18.027 -36.900 1.00 0.00 H new ATOM 0 HA LEU A 14 15.127 17.931 -33.982 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.780 17.326 -34.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.215 16.212 -35.609 1.00 0.00 H new ATOM 0 HG LEU A 14 14.519 14.857 -33.948 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.127 15.250 -31.540 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.962 16.629 -32.295 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.223 16.732 -31.930 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.486 13.933 -32.824 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.590 15.411 -33.249 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.157 14.314 -34.531 1.00 0.00 H new ATOM 199 N VAL A 15 16.777 16.069 -34.256 1.00 0.00 N ATOM 200 CA VAL A 15 17.909 15.172 -34.431 1.00 0.00 C ATOM 201 C VAL A 15 18.186 14.412 -33.132 1.00 0.00 C ATOM 202 O VAL A 15 18.131 15.014 -32.058 1.00 0.00 O ATOM 203 CB VAL A 15 19.129 15.974 -34.910 1.00 0.00 C ATOM 204 CG1 VAL A 15 19.633 16.935 -33.832 1.00 0.00 C ATOM 205 CG2 VAL A 15 20.290 15.058 -35.301 1.00 0.00 C ATOM 0 H VAL A 15 16.621 16.345 -33.287 1.00 0.00 H new ATOM 0 HA VAL A 15 17.681 14.427 -35.194 1.00 0.00 H new ATOM 0 HB VAL A 15 18.792 16.537 -35.780 1.00 0.00 H new ATOM 0 HG11 VAL A 15 20.496 17.484 -34.209 1.00 0.00 H new ATOM 0 HG12 VAL A 15 18.841 17.638 -33.572 1.00 0.00 H new ATOM 0 HG13 VAL A 15 19.921 16.369 -32.946 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.134 15.662 -35.634 1.00 0.00 H new ATOM 0 HG22 VAL A 15 20.589 14.461 -34.439 1.00 0.00 H new ATOM 0 HG23 VAL A 15 19.976 14.397 -36.109 1.00 0.00 H new ATOM 215 N PRO A 16 18.484 13.107 -33.189 1.00 0.00 N ATOM 216 CA PRO A 16 18.809 12.328 -32.012 1.00 0.00 C ATOM 217 C PRO A 16 20.147 12.777 -31.430 1.00 0.00 C ATOM 218 O PRO A 16 21.079 13.101 -32.168 1.00 0.00 O ATOM 219 CB PRO A 16 18.856 10.876 -32.483 1.00 0.00 C ATOM 220 CG PRO A 16 19.230 11.000 -33.959 1.00 0.00 C ATOM 221 CD PRO A 16 18.521 12.283 -34.379 1.00 0.00 C ATOM 0 HA PRO A 16 18.075 12.456 -31.217 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.594 10.296 -31.928 1.00 0.00 H new ATOM 0 HB3 PRO A 16 17.895 10.379 -32.351 1.00 0.00 H new ATOM 0 HG2 PRO A 16 20.309 11.069 -34.099 1.00 0.00 H new ATOM 0 HG3 PRO A 16 18.888 10.141 -34.537 1.00 0.00 H new ATOM 0 HD2 PRO A 16 19.057 12.782 -35.186 1.00 0.00 H new ATOM 0 HD3 PRO A 16 17.515 12.075 -34.745 1.00 0.00 H new ATOM 229 N ARG A 17 20.243 12.792 -30.097 1.00 0.00 N ATOM 230 CA ARG A 17 21.464 13.160 -29.392 1.00 0.00 C ATOM 231 C ARG A 17 22.475 12.018 -29.417 1.00 0.00 C ATOM 232 O ARG A 17 22.127 10.878 -29.723 1.00 0.00 O ATOM 233 CB ARG A 17 21.125 13.562 -27.951 1.00 0.00 C ATOM 234 CG ARG A 17 20.246 14.812 -27.895 1.00 0.00 C ATOM 235 CD ARG A 17 20.966 16.013 -28.511 1.00 0.00 C ATOM 236 NE ARG A 17 20.238 17.262 -28.241 1.00 0.00 N ATOM 237 CZ ARG A 17 19.242 17.739 -28.993 1.00 0.00 C ATOM 238 NH1 ARG A 17 18.817 17.080 -30.068 1.00 0.00 N ATOM 239 NH2 ARG A 17 18.660 18.889 -28.672 1.00 0.00 N ATOM 0 H ARG A 17 19.470 12.547 -29.478 1.00 0.00 H new ATOM 0 HA ARG A 17 21.920 14.011 -29.898 1.00 0.00 H new ATOM 0 HB2 ARG A 17 20.613 12.737 -27.456 1.00 0.00 H new ATOM 0 HB3 ARG A 17 22.047 13.743 -27.399 1.00 0.00 H new ATOM 0 HG2 ARG A 17 19.313 14.630 -28.428 1.00 0.00 H new ATOM 0 HG3 ARG A 17 19.984 15.031 -26.860 1.00 0.00 H new ATOM 0 HD2 ARG A 17 21.976 16.082 -28.107 1.00 0.00 H new ATOM 0 HD3 ARG A 17 21.063 15.870 -29.587 1.00 0.00 H new ATOM 0 HE ARG A 17 20.513 17.803 -27.421 1.00 0.00 H new ATOM 0 HH11 ARG A 17 19.253 16.196 -30.329 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.055 17.459 -30.631 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.974 19.408 -27.852 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.900 19.253 -29.246 1.00 0.00 H new ATOM 253 N GLY A 18 23.729 12.334 -29.090 1.00 0.00 N ATOM 254 CA GLY A 18 24.815 11.365 -29.062 1.00 0.00 C ATOM 255 C GLY A 18 24.766 10.467 -27.823 1.00 0.00 C ATOM 256 O GLY A 18 25.605 9.581 -27.675 1.00 0.00 O ATOM 0 H GLY A 18 24.017 13.279 -28.836 1.00 0.00 H new ATOM 0 HA2 GLY A 18 24.769 10.746 -29.958 1.00 0.00 H new ATOM 0 HA3 GLY A 18 25.769 11.892 -29.088 1.00 0.00 H new ATOM 260 N SER A 19 23.792 10.688 -26.934 1.00 0.00 N ATOM 261 CA SER A 19 23.626 9.904 -25.719 1.00 0.00 C ATOM 262 C SER A 19 23.199 8.474 -26.049 1.00 0.00 C ATOM 263 O SER A 19 22.704 8.199 -27.143 1.00 0.00 O ATOM 264 CB SER A 19 22.587 10.577 -24.825 1.00 0.00 C ATOM 265 OG SER A 19 21.326 10.566 -25.464 1.00 0.00 O ATOM 0 H SER A 19 23.094 11.424 -27.044 1.00 0.00 H new ATOM 0 HA SER A 19 24.580 9.855 -25.194 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.525 10.057 -23.869 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.888 11.603 -24.611 1.00 0.00 H new ATOM 0 HG SER A 19 20.663 10.997 -24.886 1.00 0.00 H new ATOM 271 N HIS A 20 23.389 7.560 -25.094 1.00 0.00 N ATOM 272 CA HIS A 20 23.003 6.162 -25.257 1.00 0.00 C ATOM 273 C HIS A 20 21.506 5.954 -25.005 1.00 0.00 C ATOM 274 O HIS A 20 20.993 4.861 -25.244 1.00 0.00 O ATOM 275 CB HIS A 20 23.835 5.298 -24.307 1.00 0.00 C ATOM 276 CG HIS A 20 23.700 5.699 -22.863 1.00 0.00 C ATOM 277 ND1 HIS A 20 22.558 5.522 -22.078 1.00 0.00 N ATOM 278 CD2 HIS A 20 24.682 6.270 -22.108 1.00 0.00 C ATOM 279 CE1 HIS A 20 22.884 6.001 -20.867 1.00 0.00 C ATOM 280 NE2 HIS A 20 24.148 6.457 -20.855 1.00 0.00 N ATOM 0 H HIS A 20 23.813 7.770 -24.191 1.00 0.00 H new ATOM 0 HA HIS A 20 23.197 5.866 -26.288 1.00 0.00 H new ATOM 0 HB2 HIS A 20 23.534 4.256 -24.417 1.00 0.00 H new ATOM 0 HB3 HIS A 20 24.884 5.359 -24.597 1.00 0.00 H new ATOM 0 HD2 HIS A 20 25.681 6.525 -22.430 1.00 0.00 H new ATOM 0 HE1 HIS A 20 22.219 6.018 -20.016 1.00 0.00 H new ATOM 0 HE2 HIS A 20 24.628 6.870 -20.055 1.00 0.00 H new ATOM 288 N MET A 21 20.808 6.988 -24.527 1.00 0.00 N ATOM 289 CA MET A 21 19.386 6.898 -24.215 1.00 0.00 C ATOM 290 C MET A 21 18.536 6.912 -25.482 1.00 0.00 C ATOM 291 O MET A 21 19.024 7.221 -26.571 1.00 0.00 O ATOM 292 CB MET A 21 18.985 8.049 -23.291 1.00 0.00 C ATOM 293 CG MET A 21 19.780 7.997 -21.986 1.00 0.00 C ATOM 294 SD MET A 21 19.325 9.272 -20.780 1.00 0.00 S ATOM 295 CE MET A 21 19.843 10.751 -21.684 1.00 0.00 C ATOM 0 H MET A 21 21.214 7.906 -24.347 1.00 0.00 H new ATOM 0 HA MET A 21 19.207 5.950 -23.708 1.00 0.00 H new ATOM 0 HB2 MET A 21 19.160 9.001 -23.791 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.918 7.994 -23.075 1.00 0.00 H new ATOM 0 HG2 MET A 21 19.642 7.017 -21.530 1.00 0.00 H new ATOM 0 HG3 MET A 21 20.841 8.095 -22.217 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.853 11.606 -21.008 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.843 10.598 -22.090 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.146 10.942 -22.500 1.00 0.00 H new ATOM 305 N GLN A 22 17.252 6.576 -25.336 1.00 0.00 N ATOM 306 CA GLN A 22 16.307 6.546 -26.441 1.00 0.00 C ATOM 307 C GLN A 22 15.784 7.946 -26.754 1.00 0.00 C ATOM 308 O GLN A 22 15.741 8.811 -25.881 1.00 0.00 O ATOM 309 CB GLN A 22 15.148 5.598 -26.135 1.00 0.00 C ATOM 310 CG GLN A 22 15.635 4.177 -25.824 1.00 0.00 C ATOM 311 CD GLN A 22 16.243 4.058 -24.432 1.00 0.00 C ATOM 312 OE1 GLN A 22 15.873 4.784 -23.514 1.00 0.00 O ATOM 313 NE2 GLN A 22 17.182 3.136 -24.261 1.00 0.00 N ATOM 0 H GLN A 22 16.842 6.316 -24.439 1.00 0.00 H new ATOM 0 HA GLN A 22 16.833 6.176 -27.321 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.581 5.981 -25.286 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.468 5.570 -26.986 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.799 3.483 -25.912 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.376 3.880 -26.567 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.468 2.548 -25.044 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.618 3.015 -23.347 1.00 0.00 H new ATOM 322 N LYS A 23 15.382 8.163 -28.012 1.00 0.00 N ATOM 323 CA LYS A 23 14.848 9.438 -28.478 1.00 0.00 C ATOM 324 C LYS A 23 13.449 9.251 -29.057 1.00 0.00 C ATOM 325 O LYS A 23 13.072 8.144 -29.430 1.00 0.00 O ATOM 326 CB LYS A 23 15.787 10.088 -29.500 1.00 0.00 C ATOM 327 CG LYS A 23 17.185 10.377 -28.939 1.00 0.00 C ATOM 328 CD LYS A 23 18.121 9.177 -29.099 1.00 0.00 C ATOM 329 CE LYS A 23 19.510 9.556 -28.588 1.00 0.00 C ATOM 330 NZ LYS A 23 20.434 8.411 -28.680 1.00 0.00 N ATOM 0 H LYS A 23 15.421 7.448 -28.738 1.00 0.00 H new ATOM 0 HA LYS A 23 14.775 10.111 -27.624 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.879 9.434 -30.367 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.343 11.020 -29.850 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.610 11.240 -29.450 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.106 10.638 -27.884 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.736 8.323 -28.543 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.174 8.878 -30.146 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.900 10.391 -29.169 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.442 9.892 -27.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 21.335 8.654 -28.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.014 7.587 -28.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.606 8.184 -29.680 1.00 0.00 H new ATOM 344 N GLU A 24 12.681 10.339 -29.131 1.00 0.00 N ATOM 345 CA GLU A 24 11.305 10.296 -29.600 1.00 0.00 C ATOM 346 C GLU A 24 11.045 11.384 -30.638 1.00 0.00 C ATOM 347 O GLU A 24 11.727 12.407 -30.662 1.00 0.00 O ATOM 348 CB GLU A 24 10.345 10.475 -28.424 1.00 0.00 C ATOM 349 CG GLU A 24 10.620 9.473 -27.302 1.00 0.00 C ATOM 350 CD GLU A 24 9.602 9.595 -26.169 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.732 10.492 -26.242 1.00 0.00 O ATOM 352 OE2 GLU A 24 9.702 8.777 -25.225 1.00 0.00 O ATOM 0 H GLU A 24 13.000 11.271 -28.867 1.00 0.00 H new ATOM 0 HA GLU A 24 11.138 9.324 -30.065 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.434 11.489 -28.034 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.319 10.357 -28.772 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.595 8.461 -27.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.623 9.635 -26.908 1.00 0.00 H new ATOM 359 N GLY A 25 10.046 11.151 -31.493 1.00 0.00 N ATOM 360 CA GLY A 25 9.614 12.101 -32.506 1.00 0.00 C ATOM 361 C GLY A 25 8.400 12.896 -32.026 1.00 0.00 C ATOM 362 O GLY A 25 8.164 12.998 -30.822 1.00 0.00 O ATOM 0 H GLY A 25 9.511 10.283 -31.496 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.430 12.783 -32.742 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.366 11.571 -33.425 1.00 0.00 H new ATOM 366 N PRO A 26 7.619 13.457 -32.958 1.00 0.00 N ATOM 367 CA PRO A 26 6.394 14.181 -32.654 1.00 0.00 C ATOM 368 C PRO A 26 5.314 13.216 -32.165 1.00 0.00 C ATOM 369 O PRO A 26 5.524 12.008 -32.111 1.00 0.00 O ATOM 370 CB PRO A 26 5.989 14.845 -33.972 1.00 0.00 C ATOM 371 CG PRO A 26 6.540 13.885 -35.024 1.00 0.00 C ATOM 372 CD PRO A 26 7.850 13.420 -34.389 1.00 0.00 C ATOM 0 HA PRO A 26 6.531 14.916 -31.861 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.908 14.955 -34.053 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.419 15.842 -34.071 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.861 13.053 -35.210 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.706 14.381 -35.980 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.111 12.414 -34.719 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.676 14.073 -34.671 1.00 0.00 H new ATOM 380 N GLU A 27 4.144 13.751 -31.801 1.00 0.00 N ATOM 381 CA GLU A 27 3.044 12.927 -31.323 1.00 0.00 C ATOM 382 C GLU A 27 2.567 11.972 -32.421 1.00 0.00 C ATOM 383 O GLU A 27 2.520 12.339 -33.594 1.00 0.00 O ATOM 384 CB GLU A 27 1.923 13.827 -30.796 1.00 0.00 C ATOM 385 CG GLU A 27 0.724 13.031 -30.265 1.00 0.00 C ATOM 386 CD GLU A 27 -0.282 12.635 -31.349 1.00 0.00 C ATOM 387 OE1 GLU A 27 -1.128 11.766 -31.042 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.208 13.191 -32.464 1.00 0.00 O ATOM 0 H GLU A 27 3.941 14.750 -31.830 1.00 0.00 H new ATOM 0 HA GLU A 27 3.383 12.302 -30.497 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.315 14.460 -30.000 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.589 14.490 -31.595 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.088 12.129 -29.773 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.213 13.624 -29.507 1.00 0.00 H new ATOM 395 N GLY A 28 2.213 10.746 -32.024 1.00 0.00 N ATOM 396 CA GLY A 28 1.709 9.737 -32.942 1.00 0.00 C ATOM 397 C GLY A 28 2.820 9.071 -33.755 1.00 0.00 C ATOM 398 O GLY A 28 2.537 8.203 -34.579 1.00 0.00 O ATOM 0 H GLY A 28 2.270 10.431 -31.055 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.170 8.975 -32.378 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.992 10.196 -33.622 1.00 0.00 H new ATOM 402 N ALA A 29 4.078 9.466 -33.528 1.00 0.00 N ATOM 403 CA ALA A 29 5.224 8.955 -34.267 1.00 0.00 C ATOM 404 C ALA A 29 6.037 7.948 -33.452 1.00 0.00 C ATOM 405 O ALA A 29 7.252 7.861 -33.617 1.00 0.00 O ATOM 406 CB ALA A 29 6.079 10.131 -34.736 1.00 0.00 C ATOM 0 H ALA A 29 4.325 10.156 -32.818 1.00 0.00 H new ATOM 0 HA ALA A 29 4.863 8.407 -35.137 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.940 9.757 -35.290 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.485 10.778 -35.381 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.423 10.698 -33.871 1.00 0.00 H new ATOM 412 N ASN A 30 5.386 7.189 -32.572 1.00 0.00 N ATOM 413 CA ASN A 30 6.069 6.228 -31.717 1.00 0.00 C ATOM 414 C ASN A 30 5.283 4.926 -31.603 1.00 0.00 C ATOM 415 O ASN A 30 4.058 4.945 -31.497 1.00 0.00 O ATOM 416 CB ASN A 30 6.376 6.850 -30.350 1.00 0.00 C ATOM 417 CG ASN A 30 5.294 7.822 -29.899 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.110 7.502 -29.900 1.00 0.00 O ATOM 419 ND2 ASN A 30 5.699 9.025 -29.506 1.00 0.00 N ATOM 0 H ASN A 30 4.376 7.225 -32.434 1.00 0.00 H new ATOM 0 HA ASN A 30 7.022 5.970 -32.178 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.481 6.058 -29.609 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.332 7.371 -30.397 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.017 9.716 -29.192 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.692 9.258 -29.518 1.00 0.00 H new ATOM 426 N LEU A 31 5.988 3.791 -31.629 1.00 0.00 N ATOM 427 CA LEU A 31 5.358 2.483 -31.721 1.00 0.00 C ATOM 428 C LEU A 31 5.794 1.505 -30.639 1.00 0.00 C ATOM 429 O LEU A 31 6.881 1.600 -30.075 1.00 0.00 O ATOM 430 CB LEU A 31 5.663 1.839 -33.075 1.00 0.00 C ATOM 431 CG LEU A 31 5.280 2.695 -34.282 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.549 1.878 -35.536 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.795 3.060 -34.252 1.00 0.00 C ATOM 0 H LEU A 31 7.007 3.759 -31.587 1.00 0.00 H new ATOM 0 HA LEU A 31 4.292 2.673 -31.592 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.729 1.617 -33.126 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.136 0.887 -33.138 1.00 0.00 H new ATOM 0 HG LEU A 31 5.863 3.616 -34.266 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.284 2.464 -36.416 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.606 1.615 -35.579 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.950 0.968 -35.513 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.552 3.669 -35.123 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.196 2.149 -34.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.577 3.622 -33.344 1.00 0.00 H new ATOM 445 N PHE A 32 4.898 0.554 -30.381 1.00 0.00 N ATOM 446 CA PHE A 32 5.108 -0.607 -29.541 1.00 0.00 C ATOM 447 C PHE A 32 5.070 -1.926 -30.285 1.00 0.00 C ATOM 448 O PHE A 32 4.291 -2.074 -31.222 1.00 0.00 O ATOM 449 CB PHE A 32 4.171 -0.612 -28.342 1.00 0.00 C ATOM 450 CG PHE A 32 4.707 0.145 -27.160 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.039 -0.558 -25.997 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.888 1.531 -27.226 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.557 0.125 -24.891 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.428 2.212 -26.126 1.00 0.00 C ATOM 455 CZ PHE A 32 5.759 1.510 -24.958 1.00 0.00 C ATOM 0 H PHE A 32 3.958 0.581 -30.777 1.00 0.00 H new ATOM 0 HA PHE A 32 6.130 -0.513 -29.173 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.214 -0.180 -28.637 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.978 -1.643 -28.046 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.896 -1.628 -25.953 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.613 2.073 -28.119 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.801 -0.414 -23.988 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.589 3.279 -26.178 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.170 2.037 -24.110 1.00 0.00 H new ATOM 465 N ILE A 33 5.905 -2.876 -29.869 1.00 0.00 N ATOM 466 CA ILE A 33 5.992 -4.176 -30.501 1.00 0.00 C ATOM 467 C ILE A 33 6.036 -5.232 -29.405 1.00 0.00 C ATOM 468 O ILE A 33 6.761 -5.060 -28.429 1.00 0.00 O ATOM 469 CB ILE A 33 7.228 -4.250 -31.411 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.303 -3.109 -32.437 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.214 -5.576 -32.173 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.938 -1.829 -31.882 1.00 0.00 C ATOM 0 H ILE A 33 6.540 -2.758 -29.080 1.00 0.00 H new ATOM 0 HA ILE A 33 5.123 -4.351 -31.135 1.00 0.00 H new ATOM 0 HB ILE A 33 8.097 -4.163 -30.759 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.877 -3.445 -33.301 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.297 -2.882 -32.791 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.089 -5.633 -32.820 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.233 -6.403 -31.464 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.310 -5.638 -32.779 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.958 -1.066 -32.660 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.352 -1.469 -31.036 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.956 -2.040 -31.554 1.00 0.00 H new ATOM 484 N TYR A 34 5.281 -6.321 -29.554 1.00 0.00 N ATOM 485 CA TYR A 34 5.207 -7.358 -28.534 1.00 0.00 C ATOM 486 C TYR A 34 5.214 -8.704 -29.253 1.00 0.00 C ATOM 487 O TYR A 34 5.214 -8.772 -30.481 1.00 0.00 O ATOM 488 CB TYR A 34 3.890 -7.211 -27.762 1.00 0.00 C ATOM 489 CG TYR A 34 3.492 -5.806 -27.355 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.988 -5.238 -26.171 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.609 -5.076 -28.162 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.586 -3.951 -25.783 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.188 -3.798 -27.772 1.00 0.00 C ATOM 494 CZ TYR A 34 2.670 -3.236 -26.578 1.00 0.00 C ATOM 495 OH TYR A 34 2.249 -2.002 -26.189 1.00 0.00 O ATOM 0 H TYR A 34 4.710 -6.505 -30.379 1.00 0.00 H new ATOM 0 HA TYR A 34 6.043 -7.281 -27.839 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.089 -7.628 -28.373 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.954 -7.821 -26.861 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.681 -5.793 -25.557 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.252 -5.500 -29.089 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.978 -3.510 -24.878 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.494 -3.246 -28.388 1.00 0.00 H new ATOM 0 HH TYR A 34 1.634 -2.090 -25.431 1.00 0.00 H new ATOM 505 N HIS A 35 5.217 -9.781 -28.458 1.00 0.00 N ATOM 506 CA HIS A 35 5.234 -11.169 -28.918 1.00 0.00 C ATOM 507 C HIS A 35 6.519 -11.535 -29.662 1.00 0.00 C ATOM 508 O HIS A 35 6.569 -12.576 -30.317 1.00 0.00 O ATOM 509 CB HIS A 35 3.994 -11.502 -29.755 1.00 0.00 C ATOM 510 CG HIS A 35 2.667 -11.066 -29.187 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.448 -11.217 -29.822 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.427 -10.458 -27.985 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.488 -10.718 -29.024 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.068 -10.247 -27.905 1.00 0.00 N ATOM 0 H HIS A 35 5.207 -9.704 -27.441 1.00 0.00 H new ATOM 0 HA HIS A 35 5.209 -11.785 -28.019 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.112 -11.045 -30.738 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.963 -12.581 -29.906 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.302 -11.636 -30.740 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.163 -10.194 -27.240 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.569 -10.699 -29.244 1.00 0.00 H new ATOM 523 N LEU A 36 7.560 -10.702 -29.572 1.00 0.00 N ATOM 524 CA LEU A 36 8.833 -10.983 -30.220 1.00 0.00 C ATOM 525 C LEU A 36 9.455 -12.232 -29.601 1.00 0.00 C ATOM 526 O LEU A 36 9.283 -12.469 -28.406 1.00 0.00 O ATOM 527 CB LEU A 36 9.780 -9.795 -30.041 1.00 0.00 C ATOM 528 CG LEU A 36 9.255 -8.516 -30.698 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.127 -7.339 -30.270 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.316 -8.635 -32.218 1.00 0.00 C ATOM 0 H LEU A 36 7.540 -9.824 -29.052 1.00 0.00 H new ATOM 0 HA LEU A 36 8.666 -11.149 -31.284 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.933 -9.615 -28.977 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.753 -10.044 -30.466 1.00 0.00 H new ATOM 0 HG LEU A 36 8.222 -8.362 -30.388 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.758 -6.425 -30.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.091 -7.235 -29.186 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.156 -7.516 -30.583 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.939 -7.718 -32.670 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.348 -8.796 -32.529 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.704 -9.477 -32.542 1.00 0.00 H new ATOM 542 N PRO A 37 10.182 -13.038 -30.383 1.00 0.00 N ATOM 543 CA PRO A 37 10.937 -14.156 -29.855 1.00 0.00 C ATOM 544 C PRO A 37 12.138 -13.633 -29.071 1.00 0.00 C ATOM 545 O PRO A 37 12.522 -12.472 -29.216 1.00 0.00 O ATOM 546 CB PRO A 37 11.346 -14.976 -31.077 1.00 0.00 C ATOM 547 CG PRO A 37 11.453 -13.919 -32.172 1.00 0.00 C ATOM 548 CD PRO A 37 10.346 -12.926 -31.817 1.00 0.00 C ATOM 0 HA PRO A 37 10.367 -14.773 -29.160 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.293 -15.492 -30.919 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.605 -15.737 -31.320 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.433 -13.443 -32.176 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.304 -14.350 -33.162 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.621 -11.911 -32.104 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.420 -13.165 -32.339 1.00 0.00 H new ATOM 556 N GLN A 38 12.738 -14.486 -28.237 1.00 0.00 N ATOM 557 CA GLN A 38 13.790 -14.068 -27.322 1.00 0.00 C ATOM 558 C GLN A 38 15.075 -13.689 -28.067 1.00 0.00 C ATOM 559 O GLN A 38 15.948 -13.031 -27.502 1.00 0.00 O ATOM 560 CB GLN A 38 14.012 -15.195 -26.309 1.00 0.00 C ATOM 561 CG GLN A 38 15.060 -14.843 -25.248 1.00 0.00 C ATOM 562 CD GLN A 38 16.481 -15.240 -25.641 1.00 0.00 C ATOM 563 OE1 GLN A 38 16.715 -15.884 -26.659 1.00 0.00 O ATOM 564 NE2 GLN A 38 17.454 -14.850 -24.819 1.00 0.00 N ATOM 0 H GLN A 38 12.507 -15.478 -28.181 1.00 0.00 H new ATOM 0 HA GLN A 38 13.487 -13.164 -26.794 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.067 -15.426 -25.817 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.325 -16.096 -26.837 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.030 -13.770 -25.061 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.799 -15.337 -24.312 1.00 0.00 H new ATOM 0 HE21 GLN A 38 17.229 -14.316 -23.980 1.00 0.00 H new ATOM 0 HE22 GLN A 38 18.424 -15.086 -25.029 1.00 0.00 H new ATOM 573 N GLU A 39 15.199 -14.097 -29.335 1.00 0.00 N ATOM 574 CA GLU A 39 16.389 -13.835 -30.133 1.00 0.00 C ATOM 575 C GLU A 39 16.472 -12.378 -30.600 1.00 0.00 C ATOM 576 O GLU A 39 17.518 -11.962 -31.100 1.00 0.00 O ATOM 577 CB GLU A 39 16.429 -14.803 -31.320 1.00 0.00 C ATOM 578 CG GLU A 39 15.209 -14.638 -32.228 1.00 0.00 C ATOM 579 CD GLU A 39 15.203 -15.649 -33.373 1.00 0.00 C ATOM 580 OE1 GLU A 39 16.197 -16.403 -33.506 1.00 0.00 O ATOM 581 OE2 GLU A 39 14.196 -15.666 -34.120 1.00 0.00 O ATOM 0 H GLU A 39 14.475 -14.617 -29.831 1.00 0.00 H new ATOM 0 HA GLU A 39 17.263 -14.000 -29.503 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.338 -14.633 -31.897 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.472 -15.828 -30.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.300 -14.754 -31.638 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.196 -13.628 -32.637 1.00 0.00 H new ATOM 588 N PHE A 40 15.398 -11.593 -30.452 1.00 0.00 N ATOM 589 CA PHE A 40 15.421 -10.174 -30.784 1.00 0.00 C ATOM 590 C PHE A 40 16.268 -9.289 -29.880 1.00 0.00 C ATOM 591 O PHE A 40 16.560 -9.647 -28.740 1.00 0.00 O ATOM 592 CB PHE A 40 14.018 -9.595 -31.022 1.00 0.00 C ATOM 593 CG PHE A 40 13.437 -9.830 -32.403 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.879 -8.758 -33.115 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.454 -11.109 -32.980 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.327 -8.964 -34.389 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.907 -11.316 -34.255 1.00 0.00 C ATOM 598 CZ PHE A 40 12.339 -10.242 -34.956 1.00 0.00 C ATOM 0 H PHE A 40 14.499 -11.925 -30.102 1.00 0.00 H new ATOM 0 HA PHE A 40 15.953 -10.152 -31.735 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.339 -10.022 -30.284 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.052 -8.521 -30.840 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.874 -7.769 -32.681 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.890 -11.937 -32.441 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.894 -8.136 -34.931 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.923 -12.301 -34.697 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.911 -10.402 -35.934 1.00 0.00 H new ATOM 608 N GLY A 41 16.661 -8.125 -30.399 1.00 0.00 N ATOM 609 CA GLY A 41 17.446 -7.147 -29.669 1.00 0.00 C ATOM 610 C GLY A 41 17.255 -5.761 -30.273 1.00 0.00 C ATOM 611 O GLY A 41 16.540 -5.606 -31.262 1.00 0.00 O ATOM 0 H GLY A 41 16.436 -7.838 -31.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.147 -7.139 -28.621 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.500 -7.422 -29.698 1.00 0.00 H new ATOM 615 N ASP A 42 17.889 -4.749 -29.679 1.00 0.00 N ATOM 616 CA ASP A 42 17.718 -3.368 -30.099 1.00 0.00 C ATOM 617 C ASP A 42 18.047 -3.101 -31.566 1.00 0.00 C ATOM 618 O ASP A 42 17.320 -2.372 -32.242 1.00 0.00 O ATOM 619 CB ASP A 42 18.487 -2.412 -29.179 1.00 0.00 C ATOM 620 CG ASP A 42 19.918 -2.853 -28.855 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.422 -3.790 -29.515 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.503 -2.238 -27.937 1.00 0.00 O ATOM 0 H ASP A 42 18.532 -4.869 -28.896 1.00 0.00 H new ATOM 0 HA ASP A 42 16.649 -3.174 -30.007 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.521 -1.428 -29.646 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.934 -2.303 -28.246 1.00 0.00 H new ATOM 627 N GLN A 43 19.137 -3.688 -32.061 1.00 0.00 N ATOM 628 CA GLN A 43 19.518 -3.545 -33.456 1.00 0.00 C ATOM 629 C GLN A 43 18.681 -4.424 -34.376 1.00 0.00 C ATOM 630 O GLN A 43 18.521 -4.104 -35.550 1.00 0.00 O ATOM 631 CB GLN A 43 20.995 -3.886 -33.628 1.00 0.00 C ATOM 632 CG GLN A 43 21.847 -2.801 -32.983 1.00 0.00 C ATOM 633 CD GLN A 43 23.235 -2.718 -33.605 1.00 0.00 C ATOM 634 OE1 GLN A 43 24.239 -2.883 -32.922 1.00 0.00 O ATOM 635 NE2 GLN A 43 23.302 -2.469 -34.911 1.00 0.00 N ATOM 0 H GLN A 43 19.770 -4.268 -31.510 1.00 0.00 H new ATOM 0 HA GLN A 43 19.337 -2.507 -33.737 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.211 -4.852 -33.172 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.238 -3.972 -34.687 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.346 -1.838 -33.085 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.940 -3.000 -31.915 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.446 -2.337 -35.450 1.00 0.00 H new ATOM 0 HE22 GLN A 43 24.209 -2.410 -35.373 1.00 0.00 H new ATOM 644 N ASP A 44 18.143 -5.530 -33.859 1.00 0.00 N ATOM 645 CA ASP A 44 17.342 -6.415 -34.686 1.00 0.00 C ATOM 646 C ASP A 44 15.964 -5.855 -35.013 1.00 0.00 C ATOM 647 O ASP A 44 15.497 -5.981 -36.143 1.00 0.00 O ATOM 648 CB ASP A 44 17.255 -7.815 -34.077 1.00 0.00 C ATOM 649 CG ASP A 44 18.572 -8.590 -34.170 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.574 -9.754 -33.715 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.566 -8.027 -34.685 1.00 0.00 O ATOM 0 H ASP A 44 18.248 -5.825 -32.888 1.00 0.00 H new ATOM 0 HA ASP A 44 17.862 -6.493 -35.641 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.961 -7.733 -33.031 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.472 -8.378 -34.584 1.00 0.00 H new ATOM 656 N ILE A 45 15.311 -5.232 -34.029 1.00 0.00 N ATOM 657 CA ILE A 45 14.024 -4.589 -34.247 1.00 0.00 C ATOM 658 C ILE A 45 14.236 -3.290 -35.024 1.00 0.00 C ATOM 659 O ILE A 45 13.336 -2.828 -35.723 1.00 0.00 O ATOM 660 CB ILE A 45 13.356 -4.343 -32.886 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.892 -3.944 -33.095 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.088 -3.261 -32.087 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.152 -3.878 -31.761 1.00 0.00 C ATOM 0 H ILE A 45 15.658 -5.162 -33.072 1.00 0.00 H new ATOM 0 HA ILE A 45 13.365 -5.225 -34.838 1.00 0.00 H new ATOM 0 HB ILE A 45 13.405 -5.268 -32.312 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.842 -2.975 -33.592 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.404 -4.665 -33.751 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.587 -3.114 -31.130 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.118 -3.571 -31.913 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.080 -2.326 -32.648 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.114 -3.593 -31.934 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.184 -4.855 -31.278 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.629 -3.139 -31.117 1.00 0.00 H new ATOM 675 N LEU A 46 15.428 -2.696 -34.911 1.00 0.00 N ATOM 676 CA LEU A 46 15.779 -1.506 -35.667 1.00 0.00 C ATOM 677 C LEU A 46 15.808 -1.856 -37.151 1.00 0.00 C ATOM 678 O LEU A 46 15.200 -1.163 -37.962 1.00 0.00 O ATOM 679 CB LEU A 46 17.125 -0.993 -35.134 1.00 0.00 C ATOM 680 CG LEU A 46 17.794 0.163 -35.889 1.00 0.00 C ATOM 681 CD1 LEU A 46 18.500 -0.309 -37.156 1.00 0.00 C ATOM 682 CD2 LEU A 46 16.803 1.285 -36.189 1.00 0.00 C ATOM 0 H LEU A 46 16.168 -3.030 -34.294 1.00 0.00 H new ATOM 0 HA LEU A 46 15.048 -0.707 -35.549 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.979 -0.679 -34.100 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.821 -1.831 -35.118 1.00 0.00 H new ATOM 0 HG LEU A 46 18.561 0.568 -35.229 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.958 0.544 -37.656 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.271 -1.034 -36.894 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.776 -0.775 -37.824 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.312 2.087 -36.724 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.990 0.898 -36.803 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.399 1.673 -35.254 1.00 0.00 H new ATOM 694 N GLN A 47 16.510 -2.936 -37.512 1.00 0.00 N ATOM 695 CA GLN A 47 16.617 -3.347 -38.901 1.00 0.00 C ATOM 696 C GLN A 47 15.269 -3.781 -39.475 1.00 0.00 C ATOM 697 O GLN A 47 15.070 -3.699 -40.687 1.00 0.00 O ATOM 698 CB GLN A 47 17.630 -4.490 -39.006 1.00 0.00 C ATOM 699 CG GLN A 47 19.057 -3.993 -38.752 1.00 0.00 C ATOM 700 CD GLN A 47 19.659 -3.224 -39.927 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.109 -3.380 -41.132 1.00 0.00 O flip ATOM 702 NE2 GLN A 47 20.628 -2.490 -39.753 1.00 0.00 N flip ATOM 0 H GLN A 47 17.010 -3.536 -36.856 1.00 0.00 H new ATOM 0 HA GLN A 47 16.954 -2.492 -39.487 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.380 -5.268 -38.285 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.571 -4.942 -39.996 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.057 -3.351 -37.871 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.694 -4.847 -38.524 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.030 -2.388 -38.821 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.031 -1.982 -40.540 1.00 0.00 H new ATOM 711 N MET A 48 14.348 -4.236 -38.621 1.00 0.00 N ATOM 712 CA MET A 48 13.009 -4.606 -39.057 1.00 0.00 C ATOM 713 C MET A 48 12.141 -3.382 -39.318 1.00 0.00 C ATOM 714 O MET A 48 11.183 -3.469 -40.084 1.00 0.00 O ATOM 715 CB MET A 48 12.338 -5.491 -38.004 1.00 0.00 C ATOM 716 CG MET A 48 12.861 -6.928 -38.031 1.00 0.00 C ATOM 717 SD MET A 48 12.812 -7.747 -39.647 1.00 0.00 S ATOM 718 CE MET A 48 11.021 -7.778 -39.923 1.00 0.00 C ATOM 0 H MET A 48 14.511 -4.355 -37.621 1.00 0.00 H new ATOM 0 HA MET A 48 13.111 -5.156 -39.993 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.506 -5.065 -37.015 1.00 0.00 H new ATOM 0 HB3 MET A 48 11.261 -5.496 -38.171 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.891 -6.928 -37.675 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.279 -7.521 -37.325 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.808 -8.268 -40.873 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.538 -8.327 -39.115 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.639 -6.757 -39.948 1.00 0.00 H new ATOM 728 N PHE A 49 12.462 -2.246 -38.689 1.00 0.00 N ATOM 729 CA PHE A 49 11.672 -1.028 -38.808 1.00 0.00 C ATOM 730 C PHE A 49 12.230 0.098 -39.679 1.00 0.00 C ATOM 731 O PHE A 49 11.526 1.070 -39.959 1.00 0.00 O ATOM 732 CB PHE A 49 11.149 -0.561 -37.446 1.00 0.00 C ATOM 733 CG PHE A 49 9.980 -1.364 -36.915 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.149 -2.708 -36.547 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.716 -0.767 -36.784 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.064 -3.454 -36.063 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.631 -1.516 -36.306 1.00 0.00 C ATOM 738 CZ PHE A 49 7.804 -2.859 -35.946 1.00 0.00 C ATOM 0 H PHE A 49 13.278 -2.151 -38.084 1.00 0.00 H new ATOM 0 HA PHE A 49 10.819 -1.337 -39.413 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.963 -0.606 -36.723 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.850 0.484 -37.524 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.121 -3.171 -36.637 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.579 0.270 -37.052 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.202 -4.487 -35.781 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.658 -1.056 -36.215 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.966 -3.433 -35.579 1.00 0.00 H new ATOM 748 N MET A 50 13.491 -0.011 -40.118 1.00 0.00 N ATOM 749 CA MET A 50 14.110 1.016 -40.949 1.00 0.00 C ATOM 750 C MET A 50 13.500 1.182 -42.346 1.00 0.00 C ATOM 751 O MET A 50 13.485 2.309 -42.840 1.00 0.00 O ATOM 752 CB MET A 50 15.613 0.756 -41.088 1.00 0.00 C ATOM 753 CG MET A 50 16.367 1.236 -39.852 1.00 0.00 C ATOM 754 SD MET A 50 18.129 1.557 -40.149 1.00 0.00 S ATOM 755 CE MET A 50 18.659 -0.108 -40.623 1.00 0.00 C ATOM 0 H MET A 50 14.098 -0.803 -39.908 1.00 0.00 H new ATOM 0 HA MET A 50 13.916 1.950 -40.422 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.789 -0.310 -41.235 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.994 1.267 -41.972 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.898 2.148 -39.483 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.271 0.487 -39.065 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.747 -0.144 -40.671 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.305 -0.827 -39.884 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.244 -0.358 -41.600 1.00 0.00 H new ATOM 765 N PRO A 51 12.996 0.138 -43.026 1.00 0.00 N ATOM 766 CA PRO A 51 12.465 0.301 -44.368 1.00 0.00 C ATOM 767 C PRO A 51 11.105 1.001 -44.367 1.00 0.00 C ATOM 768 O PRO A 51 10.596 1.355 -45.429 1.00 0.00 O ATOM 769 CB PRO A 51 12.358 -1.117 -44.925 1.00 0.00 C ATOM 770 CG PRO A 51 12.083 -1.954 -43.678 1.00 0.00 C ATOM 771 CD PRO A 51 12.911 -1.253 -42.606 1.00 0.00 C ATOM 0 HA PRO A 51 13.110 0.935 -44.977 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.554 -1.204 -45.656 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.277 -1.425 -45.424 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.023 -1.966 -43.426 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.391 -2.991 -43.812 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.439 -1.339 -41.627 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.902 -1.699 -42.522 1.00 0.00 H new ATOM 779 N PHE A 52 10.513 1.206 -43.187 1.00 0.00 N ATOM 780 CA PHE A 52 9.212 1.853 -43.063 1.00 0.00 C ATOM 781 C PHE A 52 9.349 3.375 -42.970 1.00 0.00 C ATOM 782 O PHE A 52 8.366 4.091 -43.140 1.00 0.00 O ATOM 783 CB PHE A 52 8.528 1.296 -41.815 1.00 0.00 C ATOM 784 CG PHE A 52 8.362 -0.207 -41.828 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.570 -0.938 -40.653 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.008 -0.876 -43.009 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.445 -2.334 -40.655 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.898 -2.274 -43.018 1.00 0.00 C ATOM 789 CZ PHE A 52 8.115 -3.003 -41.844 1.00 0.00 C ATOM 0 H PHE A 52 10.924 0.928 -42.296 1.00 0.00 H new ATOM 0 HA PHE A 52 8.614 1.645 -43.950 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.108 1.580 -40.937 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.547 1.759 -41.713 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.828 -0.423 -39.739 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.820 -0.314 -43.912 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.602 -2.893 -39.745 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.645 -2.789 -43.933 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.029 -4.080 -41.852 1.00 0.00 H new ATOM 799 N GLY A 53 10.563 3.872 -42.706 1.00 0.00 N ATOM 800 CA GLY A 53 10.823 5.299 -42.600 1.00 0.00 C ATOM 801 C GLY A 53 12.033 5.571 -41.716 1.00 0.00 C ATOM 802 O GLY A 53 12.738 4.648 -41.313 1.00 0.00 O ATOM 0 H GLY A 53 11.388 3.290 -42.561 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.993 5.716 -43.593 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.948 5.802 -42.189 1.00 0.00 H new ATOM 806 N ASN A 54 12.284 6.848 -41.410 1.00 0.00 N ATOM 807 CA ASN A 54 13.443 7.228 -40.620 1.00 0.00 C ATOM 808 C ASN A 54 13.201 6.942 -39.143 1.00 0.00 C ATOM 809 O ASN A 54 12.521 7.702 -38.456 1.00 0.00 O ATOM 810 CB ASN A 54 13.747 8.708 -40.849 1.00 0.00 C ATOM 811 CG ASN A 54 14.870 9.193 -39.941 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.794 8.448 -39.627 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.796 10.449 -39.516 1.00 0.00 N ATOM 0 H ASN A 54 11.697 7.630 -41.700 1.00 0.00 H new ATOM 0 HA ASN A 54 14.304 6.638 -40.934 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.026 8.867 -41.891 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.849 9.298 -40.666 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.523 10.825 -38.907 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.012 11.038 -39.799 1.00 0.00 H new ATOM 820 N VAL A 55 13.765 5.833 -38.658 1.00 0.00 N ATOM 821 CA VAL A 55 13.682 5.462 -37.257 1.00 0.00 C ATOM 822 C VAL A 55 14.673 6.310 -36.470 1.00 0.00 C ATOM 823 O VAL A 55 15.877 6.239 -36.719 1.00 0.00 O ATOM 824 CB VAL A 55 13.997 3.969 -37.108 1.00 0.00 C ATOM 825 CG1 VAL A 55 14.004 3.558 -35.639 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.952 3.139 -37.852 1.00 0.00 C ATOM 0 H VAL A 55 14.290 5.172 -39.231 1.00 0.00 H new ATOM 0 HA VAL A 55 12.678 5.640 -36.871 1.00 0.00 H new ATOM 0 HB VAL A 55 14.985 3.789 -37.531 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.230 2.495 -35.560 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.762 4.131 -35.105 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.025 3.755 -35.202 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.183 2.079 -37.741 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.964 3.341 -37.437 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.962 3.404 -38.909 1.00 0.00 H new ATOM 836 N ILE A 56 14.181 7.114 -35.522 1.00 0.00 N ATOM 837 CA ILE A 56 15.049 7.953 -34.706 1.00 0.00 C ATOM 838 C ILE A 56 15.705 7.106 -33.618 1.00 0.00 C ATOM 839 O ILE A 56 16.859 7.336 -33.258 1.00 0.00 O ATOM 840 CB ILE A 56 14.244 9.103 -34.086 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.613 9.967 -35.181 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.174 9.952 -33.215 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.925 11.199 -34.590 1.00 0.00 C ATOM 0 H ILE A 56 13.188 7.198 -35.305 1.00 0.00 H new ATOM 0 HA ILE A 56 15.829 8.383 -35.334 1.00 0.00 H new ATOM 0 HB ILE A 56 13.442 8.691 -33.473 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.381 10.281 -35.887 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.888 9.376 -35.741 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.609 10.772 -32.771 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.598 9.333 -32.424 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.978 10.357 -33.829 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.487 11.792 -35.393 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.140 10.883 -33.903 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.657 11.802 -34.052 1.00 0.00 H new ATOM 855 N SER A 57 14.969 6.125 -33.089 1.00 0.00 N ATOM 856 CA SER A 57 15.465 5.258 -32.032 1.00 0.00 C ATOM 857 C SER A 57 14.675 3.956 -31.995 1.00 0.00 C ATOM 858 O SER A 57 13.542 3.894 -32.465 1.00 0.00 O ATOM 859 CB SER A 57 15.350 5.990 -30.696 1.00 0.00 C ATOM 860 OG SER A 57 15.925 5.226 -29.659 1.00 0.00 O ATOM 0 H SER A 57 14.016 5.915 -33.385 1.00 0.00 H new ATOM 0 HA SER A 57 16.509 5.012 -32.224 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.848 6.957 -30.761 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.301 6.186 -30.472 1.00 0.00 H new ATOM 0 HG SER A 57 15.245 5.029 -28.982 1.00 0.00 H new ATOM 866 N ALA A 58 15.287 2.913 -31.433 1.00 0.00 N ATOM 867 CA ALA A 58 14.670 1.607 -31.290 1.00 0.00 C ATOM 868 C ALA A 58 15.357 0.850 -30.158 1.00 0.00 C ATOM 869 O ALA A 58 16.579 0.933 -30.004 1.00 0.00 O ATOM 870 CB ALA A 58 14.793 0.844 -32.611 1.00 0.00 C ATOM 0 H ALA A 58 16.236 2.959 -31.062 1.00 0.00 H new ATOM 0 HA ALA A 58 13.613 1.712 -31.047 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.331 -0.138 -32.508 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.290 1.401 -33.401 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.846 0.725 -32.865 1.00 0.00 H new ATOM 876 N LYS A 59 14.581 0.113 -29.357 1.00 0.00 N ATOM 877 CA LYS A 59 15.114 -0.613 -28.217 1.00 0.00 C ATOM 878 C LYS A 59 14.185 -1.748 -27.798 1.00 0.00 C ATOM 879 O LYS A 59 12.976 -1.558 -27.687 1.00 0.00 O ATOM 880 CB LYS A 59 15.350 0.382 -27.075 1.00 0.00 C ATOM 881 CG LYS A 59 15.729 -0.298 -25.756 1.00 0.00 C ATOM 882 CD LYS A 59 14.546 -0.432 -24.790 1.00 0.00 C ATOM 883 CE LYS A 59 14.013 0.954 -24.411 1.00 0.00 C ATOM 884 NZ LYS A 59 13.080 0.871 -23.277 1.00 0.00 N ATOM 0 H LYS A 59 13.575 0.008 -29.485 1.00 0.00 H new ATOM 0 HA LYS A 59 16.061 -1.079 -28.488 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.142 1.074 -27.361 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.448 0.975 -26.925 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.133 -1.288 -25.967 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.522 0.273 -25.274 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.754 -1.020 -25.253 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.858 -0.967 -23.893 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.845 1.609 -24.154 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.509 1.400 -25.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.606 1.788 -23.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.368 0.137 -23.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.605 0.629 -22.412 1.00 0.00 H new ATOM 898 N VAL A 60 14.758 -2.931 -27.562 1.00 0.00 N ATOM 899 CA VAL A 60 14.025 -4.079 -27.047 1.00 0.00 C ATOM 900 C VAL A 60 14.171 -4.059 -25.530 1.00 0.00 C ATOM 901 O VAL A 60 15.228 -3.703 -25.011 1.00 0.00 O ATOM 902 CB VAL A 60 14.602 -5.371 -27.640 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.125 -6.614 -26.889 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.148 -5.493 -29.092 1.00 0.00 C ATOM 0 H VAL A 60 15.748 -3.115 -27.725 1.00 0.00 H new ATOM 0 HA VAL A 60 12.971 -4.035 -27.323 1.00 0.00 H new ATOM 0 HB VAL A 60 15.688 -5.315 -27.559 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.559 -7.504 -27.345 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.437 -6.551 -25.846 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.038 -6.675 -26.939 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.552 -6.408 -29.524 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.059 -5.523 -29.131 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.508 -4.634 -29.659 1.00 0.00 H new ATOM 914 N PHE A 61 13.114 -4.442 -24.813 1.00 0.00 N ATOM 915 CA PHE A 61 13.114 -4.446 -23.357 1.00 0.00 C ATOM 916 C PHE A 61 13.934 -5.546 -22.698 1.00 0.00 C ATOM 917 O PHE A 61 14.057 -6.638 -23.249 1.00 0.00 O ATOM 918 CB PHE A 61 11.697 -4.359 -22.803 1.00 0.00 C ATOM 919 CG PHE A 61 11.096 -2.971 -22.788 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.104 -2.169 -23.942 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.508 -2.485 -21.614 1.00 0.00 C ATOM 922 CE1 PHE A 61 10.497 -0.903 -23.930 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.909 -1.221 -21.598 1.00 0.00 C ATOM 924 CZ PHE A 61 9.899 -0.431 -22.755 1.00 0.00 C ATOM 0 H PHE A 61 12.237 -4.757 -25.228 1.00 0.00 H new ATOM 0 HA PHE A 61 13.649 -3.538 -23.078 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.053 -5.010 -23.393 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.697 -4.749 -21.785 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.579 -2.528 -24.843 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.517 -3.088 -20.718 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.491 -0.296 -24.823 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.453 -0.853 -20.691 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.430 0.542 -22.741 1.00 0.00 H new ATOM 934 N ILE A 62 14.496 -5.264 -21.520 1.00 0.00 N ATOM 935 CA ILE A 62 15.349 -6.205 -20.806 1.00 0.00 C ATOM 936 C ILE A 62 14.930 -6.289 -19.340 1.00 0.00 C ATOM 937 O ILE A 62 14.516 -5.291 -18.748 1.00 0.00 O ATOM 938 CB ILE A 62 16.819 -5.779 -20.926 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.287 -5.622 -22.380 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.700 -6.789 -20.193 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.319 -6.946 -23.147 1.00 0.00 C ATOM 0 H ILE A 62 14.369 -4.374 -21.037 1.00 0.00 H new ATOM 0 HA ILE A 62 15.238 -7.193 -21.252 1.00 0.00 H new ATOM 0 HB ILE A 62 16.909 -4.794 -20.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.625 -4.926 -22.895 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.283 -5.180 -22.389 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.745 -6.489 -20.277 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.416 -6.824 -19.141 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.569 -7.776 -20.637 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.658 -6.767 -24.167 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.003 -7.636 -22.653 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.319 -7.379 -23.167 1.00 0.00 H new ATOM 953 N ASP A 63 15.037 -7.483 -18.754 1.00 0.00 N ATOM 954 CA ASP A 63 14.749 -7.707 -17.343 1.00 0.00 C ATOM 955 C ASP A 63 16.040 -7.554 -16.543 1.00 0.00 C ATOM 956 O ASP A 63 17.058 -8.142 -16.905 1.00 0.00 O ATOM 957 CB ASP A 63 14.169 -9.118 -17.191 1.00 0.00 C ATOM 958 CG ASP A 63 13.708 -9.425 -15.769 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.166 -10.532 -15.573 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.897 -8.559 -14.888 1.00 0.00 O ATOM 0 H ASP A 63 15.328 -8.325 -19.251 1.00 0.00 H new ATOM 0 HA ASP A 63 14.026 -6.983 -16.968 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.326 -9.234 -17.873 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.922 -9.848 -17.488 1.00 0.00 H new ATOM 965 N LYS A 64 16.025 -6.779 -15.453 1.00 0.00 N ATOM 966 CA LYS A 64 17.219 -6.578 -14.638 1.00 0.00 C ATOM 967 C LYS A 64 17.520 -7.805 -13.778 1.00 0.00 C ATOM 968 O LYS A 64 18.604 -7.904 -13.204 1.00 0.00 O ATOM 969 CB LYS A 64 17.075 -5.321 -13.771 1.00 0.00 C ATOM 970 CG LYS A 64 16.093 -5.442 -12.599 1.00 0.00 C ATOM 971 CD LYS A 64 14.618 -5.515 -13.009 1.00 0.00 C ATOM 972 CE LYS A 64 14.188 -4.281 -13.810 1.00 0.00 C ATOM 973 NZ LYS A 64 14.319 -3.042 -13.017 1.00 0.00 N ATOM 0 H LYS A 64 15.199 -6.283 -15.119 1.00 0.00 H new ATOM 0 HA LYS A 64 18.064 -6.435 -15.311 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.056 -5.058 -13.376 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.756 -4.495 -14.407 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.342 -6.334 -12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.231 -4.587 -11.937 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.451 -6.412 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.997 -5.604 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.796 -4.202 -14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.154 -4.399 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.894 -2.249 -13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.829 -3.159 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.326 -2.844 -12.846 1.00 0.00 H new ATOM 987 N GLN A 65 16.571 -8.740 -13.682 1.00 0.00 N ATOM 988 CA GLN A 65 16.704 -9.939 -12.859 1.00 0.00 C ATOM 989 C GLN A 65 17.360 -11.097 -13.607 1.00 0.00 C ATOM 990 O GLN A 65 17.929 -11.991 -12.982 1.00 0.00 O ATOM 991 CB GLN A 65 15.317 -10.367 -12.401 1.00 0.00 C ATOM 992 CG GLN A 65 14.751 -9.349 -11.408 1.00 0.00 C ATOM 993 CD GLN A 65 13.232 -9.408 -11.354 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.647 -9.616 -10.297 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.587 -9.234 -12.501 1.00 0.00 N ATOM 0 H GLN A 65 15.682 -8.683 -14.179 1.00 0.00 H new ATOM 0 HA GLN A 65 17.347 -9.693 -12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.653 -10.455 -13.261 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.367 -11.351 -11.935 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.159 -9.541 -10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.067 -8.346 -11.694 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.110 -9.063 -13.360 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.568 -9.271 -12.524 1.00 0.00 H new ATOM 1004 N THR A 66 17.279 -11.086 -14.941 1.00 0.00 N ATOM 1005 CA THR A 66 17.799 -12.162 -15.778 1.00 0.00 C ATOM 1006 C THR A 66 18.633 -11.699 -16.962 1.00 0.00 C ATOM 1007 O THR A 66 19.330 -12.494 -17.585 1.00 0.00 O ATOM 1008 CB THR A 66 16.693 -13.130 -16.207 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.149 -12.690 -17.429 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.560 -13.221 -15.190 1.00 0.00 C ATOM 0 H THR A 66 16.849 -10.326 -15.469 1.00 0.00 H new ATOM 0 HA THR A 66 18.498 -12.702 -15.139 1.00 0.00 H new ATOM 0 HB THR A 66 17.147 -14.117 -16.295 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.441 -13.305 -17.712 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.805 -13.922 -15.548 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.955 -13.569 -14.236 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.109 -12.237 -15.059 1.00 0.00 H new ATOM 1018 N ASN A 67 18.548 -10.400 -17.264 1.00 0.00 N ATOM 1019 CA ASN A 67 19.232 -9.755 -18.381 1.00 0.00 C ATOM 1020 C ASN A 67 18.786 -10.321 -19.735 1.00 0.00 C ATOM 1021 O ASN A 67 19.379 -10.001 -20.763 1.00 0.00 O ATOM 1022 CB ASN A 67 20.748 -9.827 -18.166 1.00 0.00 C ATOM 1023 CG ASN A 67 21.504 -8.916 -19.124 1.00 0.00 C ATOM 1024 OD1 ASN A 67 21.060 -7.810 -19.429 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.654 -9.375 -19.606 1.00 0.00 N ATOM 0 H ASN A 67 17.982 -9.750 -16.718 1.00 0.00 H new ATOM 0 HA ASN A 67 18.950 -8.702 -18.409 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.982 -9.547 -17.139 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.085 -10.855 -18.301 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.200 -8.805 -20.252 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.991 -10.298 -19.330 1.00 0.00 H new ATOM 1032 N LEU A 68 17.746 -11.162 -19.749 1.00 0.00 N ATOM 1033 CA LEU A 68 17.174 -11.693 -20.978 1.00 0.00 C ATOM 1034 C LEU A 68 16.154 -10.716 -21.548 1.00 0.00 C ATOM 1035 O LEU A 68 15.698 -9.803 -20.856 1.00 0.00 O ATOM 1036 CB LEU A 68 16.526 -13.058 -20.712 1.00 0.00 C ATOM 1037 CG LEU A 68 17.520 -14.087 -20.167 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.792 -15.405 -19.925 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.665 -14.330 -21.148 1.00 0.00 C ATOM 0 H LEU A 68 17.281 -11.491 -18.903 1.00 0.00 H new ATOM 0 HA LEU A 68 17.970 -11.826 -21.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.709 -12.936 -20.001 1.00 0.00 H new ATOM 0 HB3 LEU A 68 16.089 -13.435 -21.637 1.00 0.00 H new ATOM 0 HG LEU A 68 17.937 -13.698 -19.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 17.494 -16.143 -19.537 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.991 -15.251 -19.202 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.370 -15.765 -20.863 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.352 -15.066 -20.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.264 -14.703 -22.090 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.197 -13.395 -21.325 1.00 0.00 H new ATOM 1051 N SER A 69 15.789 -10.912 -22.817 1.00 0.00 N ATOM 1052 CA SER A 69 14.810 -10.063 -23.481 1.00 0.00 C ATOM 1053 C SER A 69 13.417 -10.257 -22.893 1.00 0.00 C ATOM 1054 O SER A 69 13.019 -11.381 -22.585 1.00 0.00 O ATOM 1055 CB SER A 69 14.801 -10.356 -24.983 1.00 0.00 C ATOM 1056 OG SER A 69 13.737 -9.656 -25.598 1.00 0.00 O ATOM 0 H SER A 69 16.162 -11.658 -23.405 1.00 0.00 H new ATOM 0 HA SER A 69 15.095 -9.023 -23.320 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.751 -10.058 -25.427 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.692 -11.427 -25.154 1.00 0.00 H new ATOM 0 HG SER A 69 13.734 -9.844 -26.560 1.00 0.00 H new ATOM 1062 N LYS A 70 12.672 -9.157 -22.738 1.00 0.00 N ATOM 1063 CA LYS A 70 11.291 -9.200 -22.272 1.00 0.00 C ATOM 1064 C LYS A 70 10.320 -9.550 -23.399 1.00 0.00 C ATOM 1065 O LYS A 70 9.107 -9.477 -23.209 1.00 0.00 O ATOM 1066 CB LYS A 70 10.902 -7.893 -21.584 1.00 0.00 C ATOM 1067 CG LYS A 70 11.617 -7.742 -20.242 1.00 0.00 C ATOM 1068 CD LYS A 70 10.936 -6.632 -19.440 1.00 0.00 C ATOM 1069 CE LYS A 70 11.509 -6.560 -18.027 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.829 -5.515 -17.236 1.00 0.00 N ATOM 0 H LYS A 70 13.013 -8.216 -22.933 1.00 0.00 H new ATOM 0 HA LYS A 70 11.222 -9.999 -21.534 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.152 -7.051 -22.229 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.823 -7.867 -21.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.584 -8.681 -19.689 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.668 -7.502 -20.400 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.074 -5.675 -19.943 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.863 -6.816 -19.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.396 -7.526 -17.535 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.577 -6.349 -18.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.059 -5.637 -16.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.148 -4.577 -17.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.800 -5.593 -17.369 1.00 0.00 H new ATOM 1084 N CYS A 71 10.846 -9.931 -24.566 1.00 0.00 N ATOM 1085 CA CYS A 71 10.046 -10.349 -25.710 1.00 0.00 C ATOM 1086 C CYS A 71 9.130 -9.260 -26.277 1.00 0.00 C ATOM 1087 O CYS A 71 8.150 -9.573 -26.954 1.00 0.00 O ATOM 1088 CB CYS A 71 9.308 -11.649 -25.383 1.00 0.00 C ATOM 1089 SG CYS A 71 10.518 -12.988 -25.206 1.00 0.00 S ATOM 0 H CYS A 71 11.851 -9.957 -24.740 1.00 0.00 H new ATOM 0 HA CYS A 71 10.738 -10.542 -26.529 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.735 -11.535 -24.463 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.596 -11.887 -26.174 1.00 0.00 H new ATOM 0 HG CYS A 71 9.900 -14.097 -24.926 1.00 0.00 H new ATOM 1095 N PHE A 72 9.426 -7.984 -26.015 1.00 0.00 N ATOM 1096 CA PHE A 72 8.661 -6.886 -26.598 1.00 0.00 C ATOM 1097 C PHE A 72 9.621 -5.690 -26.595 1.00 0.00 C ATOM 1098 O PHE A 72 10.674 -5.726 -25.958 1.00 0.00 O ATOM 1099 CB PHE A 72 7.441 -6.615 -25.709 1.00 0.00 C ATOM 1100 CG PHE A 72 7.632 -5.646 -24.566 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.236 -4.311 -24.726 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.178 -6.074 -23.347 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.367 -3.405 -23.664 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.312 -5.168 -22.285 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.898 -3.839 -22.443 1.00 0.00 C ATOM 0 H PHE A 72 10.188 -7.690 -25.404 1.00 0.00 H new ATOM 0 HA PHE A 72 8.297 -7.096 -27.604 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.637 -6.240 -26.342 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.104 -7.566 -25.296 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.829 -3.979 -25.670 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.495 -7.099 -23.226 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.060 -2.377 -23.787 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.734 -5.495 -21.346 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.989 -3.146 -21.620 1.00 0.00 H new ATOM 1115 N GLY A 73 9.264 -4.622 -27.316 1.00 0.00 N ATOM 1116 CA GLY A 73 10.150 -3.483 -27.482 1.00 0.00 C ATOM 1117 C GLY A 73 9.445 -2.208 -27.948 1.00 0.00 C ATOM 1118 O GLY A 73 8.219 -2.141 -28.019 1.00 0.00 O ATOM 0 H GLY A 73 8.366 -4.530 -27.791 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.650 -3.284 -26.534 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.925 -3.741 -28.203 1.00 0.00 H new ATOM 1122 N PHE A 74 10.262 -1.202 -28.266 1.00 0.00 N ATOM 1123 CA PHE A 74 9.865 0.146 -28.650 1.00 0.00 C ATOM 1124 C PHE A 74 10.634 0.734 -29.840 1.00 0.00 C ATOM 1125 O PHE A 74 11.824 0.463 -29.995 1.00 0.00 O ATOM 1126 CB PHE A 74 9.829 1.047 -27.409 1.00 0.00 C ATOM 1127 CG PHE A 74 10.110 2.508 -27.666 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.302 3.073 -27.190 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.199 3.294 -28.385 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.611 4.405 -27.497 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.508 4.629 -28.681 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.719 5.181 -28.248 1.00 0.00 C ATOM 0 H PHE A 74 11.275 -1.317 -28.261 1.00 0.00 H new ATOM 0 HA PHE A 74 8.853 0.085 -29.050 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.847 0.959 -26.944 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.557 0.675 -26.688 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.979 2.484 -26.589 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.260 2.872 -28.711 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.540 4.835 -27.153 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.811 5.232 -29.244 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.965 6.204 -28.493 1.00 0.00 H new ATOM 1142 N VAL A 75 9.963 1.539 -30.671 1.00 0.00 N ATOM 1143 CA VAL A 75 10.540 2.159 -31.863 1.00 0.00 C ATOM 1144 C VAL A 75 9.916 3.541 -32.066 1.00 0.00 C ATOM 1145 O VAL A 75 8.781 3.765 -31.650 1.00 0.00 O ATOM 1146 CB VAL A 75 10.292 1.263 -33.090 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.837 1.896 -34.369 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.942 -0.115 -32.930 1.00 0.00 C ATOM 0 H VAL A 75 8.983 1.781 -30.528 1.00 0.00 H new ATOM 0 HA VAL A 75 11.616 2.274 -31.735 1.00 0.00 H new ATOM 0 HB VAL A 75 9.210 1.152 -33.164 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.643 1.235 -35.213 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.346 2.854 -34.539 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.911 2.052 -34.269 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.743 -0.716 -33.817 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.018 0.003 -32.805 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.527 -0.613 -32.054 1.00 0.00 H new ATOM 1158 N SER A 76 10.632 4.475 -32.702 1.00 0.00 N ATOM 1159 CA SER A 76 10.104 5.815 -32.938 1.00 0.00 C ATOM 1160 C SER A 76 10.530 6.373 -34.298 1.00 0.00 C ATOM 1161 O SER A 76 11.601 6.047 -34.809 1.00 0.00 O ATOM 1162 CB SER A 76 10.547 6.750 -31.810 1.00 0.00 C ATOM 1163 OG SER A 76 11.949 6.912 -31.831 1.00 0.00 O ATOM 0 H SER A 76 11.575 4.324 -33.060 1.00 0.00 H new ATOM 0 HA SER A 76 9.016 5.748 -32.950 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.060 7.719 -31.919 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.235 6.344 -30.848 1.00 0.00 H new ATOM 0 HG SER A 76 12.244 7.316 -30.988 1.00 0.00 H new ATOM 1169 N TYR A 77 9.676 7.221 -34.878 1.00 0.00 N ATOM 1170 CA TYR A 77 9.895 7.866 -36.167 1.00 0.00 C ATOM 1171 C TYR A 77 9.963 9.389 -36.119 1.00 0.00 C ATOM 1172 O TYR A 77 9.576 9.986 -35.118 1.00 0.00 O ATOM 1173 CB TYR A 77 8.834 7.406 -37.168 1.00 0.00 C ATOM 1174 CG TYR A 77 8.966 5.960 -37.565 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.294 4.981 -36.823 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.750 5.600 -38.669 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.407 3.631 -37.177 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.864 4.253 -39.035 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.194 3.265 -38.286 1.00 0.00 C ATOM 1180 OH TYR A 77 9.307 1.956 -38.629 1.00 0.00 O ATOM 0 H TYR A 77 8.789 7.482 -34.448 1.00 0.00 H new ATOM 0 HA TYR A 77 10.886 7.549 -36.491 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.846 7.567 -36.737 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.897 8.027 -38.062 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.688 5.268 -35.976 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.266 6.360 -39.237 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.893 2.874 -36.603 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.463 3.972 -39.888 1.00 0.00 H new ATOM 0 HH TYR A 77 10.113 1.828 -39.171 1.00 0.00 H new ATOM 1190 N ASP A 78 10.448 10.025 -37.191 1.00 0.00 N ATOM 1191 CA ASP A 78 10.445 11.481 -37.285 1.00 0.00 C ATOM 1192 C ASP A 78 9.092 12.047 -37.715 1.00 0.00 C ATOM 1193 O ASP A 78 8.879 13.256 -37.652 1.00 0.00 O ATOM 1194 CB ASP A 78 11.566 12.000 -38.192 1.00 0.00 C ATOM 1195 CG ASP A 78 11.593 11.374 -39.585 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.478 11.790 -40.368 1.00 0.00 O ATOM 1197 OD2 ASP A 78 10.747 10.498 -39.863 1.00 0.00 O ATOM 0 H ASP A 78 10.846 9.551 -38.002 1.00 0.00 H new ATOM 0 HA ASP A 78 10.635 11.842 -36.274 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.463 13.080 -38.295 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.524 11.816 -37.706 1.00 0.00 H new ATOM 1202 N ASN A 79 8.181 11.174 -38.151 1.00 0.00 N ATOM 1203 CA ASN A 79 6.830 11.553 -38.529 1.00 0.00 C ATOM 1204 C ASN A 79 5.866 10.376 -38.361 1.00 0.00 C ATOM 1205 O ASN A 79 6.271 9.221 -38.498 1.00 0.00 O ATOM 1206 CB ASN A 79 6.797 12.108 -39.958 1.00 0.00 C ATOM 1207 CG ASN A 79 7.644 11.329 -40.960 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.714 10.006 -40.826 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.233 11.928 -41.859 1.00 0.00 N flip ATOM 0 H ASN A 79 8.368 10.176 -38.250 1.00 0.00 H new ATOM 0 HA ASN A 79 6.499 12.348 -37.860 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.764 12.119 -40.306 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.139 13.143 -39.940 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.157 12.943 -41.931 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.798 11.410 -42.532 1.00 0.00 H new ATOM 1216 N PRO A 80 4.589 10.652 -38.070 1.00 0.00 N ATOM 1217 CA PRO A 80 3.589 9.632 -37.812 1.00 0.00 C ATOM 1218 C PRO A 80 3.249 8.828 -39.067 1.00 0.00 C ATOM 1219 O PRO A 80 2.739 7.716 -38.960 1.00 0.00 O ATOM 1220 CB PRO A 80 2.370 10.404 -37.309 1.00 0.00 C ATOM 1221 CG PRO A 80 2.506 11.761 -37.995 1.00 0.00 C ATOM 1222 CD PRO A 80 4.017 11.980 -37.964 1.00 0.00 C ATOM 0 HA PRO A 80 3.946 8.897 -37.091 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.439 9.907 -37.581 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.375 10.500 -36.223 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.117 11.745 -39.013 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.969 12.544 -37.461 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.341 12.616 -38.787 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.326 12.471 -37.041 1.00 0.00 H new ATOM 1230 N VAL A 81 3.521 9.367 -40.261 1.00 0.00 N ATOM 1231 CA VAL A 81 3.200 8.668 -41.496 1.00 0.00 C ATOM 1232 C VAL A 81 4.002 7.377 -41.636 1.00 0.00 C ATOM 1233 O VAL A 81 3.476 6.364 -42.094 1.00 0.00 O ATOM 1234 CB VAL A 81 3.409 9.611 -42.683 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.883 9.954 -42.902 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.867 8.963 -43.956 1.00 0.00 C ATOM 0 H VAL A 81 3.960 10.279 -40.391 1.00 0.00 H new ATOM 0 HA VAL A 81 2.152 8.370 -41.474 1.00 0.00 H new ATOM 0 HB VAL A 81 2.875 10.534 -42.456 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.977 10.625 -43.755 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.279 10.441 -42.011 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.444 9.040 -43.096 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.017 9.637 -44.800 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.394 8.027 -44.141 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.802 8.762 -43.837 1.00 0.00 H new ATOM 1246 N SER A 82 5.277 7.411 -41.234 1.00 0.00 N ATOM 1247 CA SER A 82 6.128 6.231 -41.266 1.00 0.00 C ATOM 1248 C SER A 82 5.758 5.282 -40.132 1.00 0.00 C ATOM 1249 O SER A 82 5.977 4.075 -40.235 1.00 0.00 O ATOM 1250 CB SER A 82 7.589 6.652 -41.126 1.00 0.00 C ATOM 1251 OG SER A 82 7.963 7.468 -42.219 1.00 0.00 O ATOM 0 H SER A 82 5.738 8.250 -40.882 1.00 0.00 H new ATOM 0 HA SER A 82 5.985 5.717 -42.216 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.732 7.194 -40.191 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.228 5.770 -41.084 1.00 0.00 H new ATOM 0 HG SER A 82 7.941 8.409 -41.947 1.00 0.00 H new ATOM 1257 N ALA A 83 5.194 5.819 -39.044 1.00 0.00 N ATOM 1258 CA ALA A 83 4.822 5.014 -37.900 1.00 0.00 C ATOM 1259 C ALA A 83 3.563 4.204 -38.199 1.00 0.00 C ATOM 1260 O ALA A 83 3.535 3.001 -37.952 1.00 0.00 O ATOM 1261 CB ALA A 83 4.608 5.931 -36.695 1.00 0.00 C ATOM 0 H ALA A 83 4.989 6.813 -38.942 1.00 0.00 H new ATOM 0 HA ALA A 83 5.621 4.308 -37.676 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.327 5.333 -35.828 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.530 6.471 -36.480 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.814 6.644 -36.917 1.00 0.00 H new ATOM 1267 N GLN A 84 2.518 4.843 -38.735 1.00 0.00 N ATOM 1268 CA GLN A 84 1.268 4.151 -39.018 1.00 0.00 C ATOM 1269 C GLN A 84 1.457 3.103 -40.112 1.00 0.00 C ATOM 1270 O GLN A 84 0.755 2.092 -40.122 1.00 0.00 O ATOM 1271 CB GLN A 84 0.197 5.172 -39.415 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.096 6.148 -38.272 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.561 5.442 -37.005 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.304 4.466 -37.061 1.00 0.00 O ATOM 1275 NE2 GLN A 84 -0.122 5.931 -35.849 1.00 0.00 N ATOM 0 H GLN A 84 2.518 5.833 -38.979 1.00 0.00 H new ATOM 0 HA GLN A 84 0.943 3.627 -38.119 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.529 5.727 -40.293 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.719 4.651 -39.694 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.802 6.726 -38.053 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.861 6.856 -38.591 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.494 6.744 -35.840 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.402 5.493 -34.971 1.00 0.00 H new ATOM 1284 N ALA A 85 2.399 3.331 -41.034 1.00 0.00 N ATOM 1285 CA ALA A 85 2.710 2.344 -42.050 1.00 0.00 C ATOM 1286 C ALA A 85 3.396 1.139 -41.421 1.00 0.00 C ATOM 1287 O ALA A 85 3.121 0.004 -41.799 1.00 0.00 O ATOM 1288 CB ALA A 85 3.643 2.961 -43.088 1.00 0.00 C ATOM 0 H ALA A 85 2.951 4.187 -41.090 1.00 0.00 H new ATOM 0 HA ALA A 85 1.783 2.023 -42.524 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.878 2.220 -43.852 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.155 3.819 -43.551 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.563 3.286 -42.603 1.00 0.00 H new ATOM 1294 N ALA A 86 4.287 1.383 -40.457 1.00 0.00 N ATOM 1295 CA ALA A 86 5.025 0.319 -39.806 1.00 0.00 C ATOM 1296 C ALA A 86 4.117 -0.536 -38.914 1.00 0.00 C ATOM 1297 O ALA A 86 4.415 -1.708 -38.691 1.00 0.00 O ATOM 1298 CB ALA A 86 6.154 0.934 -38.989 1.00 0.00 C ATOM 0 H ALA A 86 4.510 2.318 -40.114 1.00 0.00 H new ATOM 0 HA ALA A 86 5.436 -0.343 -40.569 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.717 0.143 -38.494 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.817 1.494 -39.649 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.736 1.606 -38.239 1.00 0.00 H new ATOM 1304 N ILE A 87 3.017 0.028 -38.400 1.00 0.00 N ATOM 1305 CA ILE A 87 2.065 -0.770 -37.636 1.00 0.00 C ATOM 1306 C ILE A 87 1.433 -1.787 -38.568 1.00 0.00 C ATOM 1307 O ILE A 87 1.421 -2.978 -38.274 1.00 0.00 O ATOM 1308 CB ILE A 87 0.981 0.110 -37.000 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.601 1.071 -35.982 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.071 -0.774 -36.316 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.552 1.908 -35.247 1.00 0.00 C ATOM 0 H ILE A 87 2.772 1.013 -38.499 1.00 0.00 H new ATOM 0 HA ILE A 87 2.592 -1.274 -36.826 1.00 0.00 H new ATOM 0 HB ILE A 87 0.502 0.697 -37.783 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.179 0.501 -35.255 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.298 1.736 -36.493 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.838 -0.144 -35.866 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.529 -1.432 -37.054 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.406 -1.374 -35.541 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.047 2.571 -34.538 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.010 2.502 -35.968 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.130 1.248 -34.711 1.00 0.00 H new ATOM 1323 N GLN A 88 0.908 -1.322 -39.699 1.00 0.00 N ATOM 1324 CA GLN A 88 0.262 -2.202 -40.664 1.00 0.00 C ATOM 1325 C GLN A 88 1.275 -3.141 -41.331 1.00 0.00 C ATOM 1326 O GLN A 88 0.880 -4.095 -42.001 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.451 -1.352 -41.717 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.546 -0.496 -41.070 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.230 0.413 -42.084 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -1.899 0.406 -43.268 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.192 1.203 -41.626 1.00 0.00 N ATOM 0 H GLN A 88 0.918 -0.338 -39.968 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.463 -2.825 -40.140 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.270 -0.709 -42.222 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.889 -1.998 -42.478 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.288 -1.146 -40.606 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.111 0.110 -40.275 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.441 1.183 -40.637 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.683 1.831 -42.263 1.00 0.00 H new ATOM 1340 N ALA A 89 2.572 -2.881 -41.149 1.00 0.00 N ATOM 1341 CA ALA A 89 3.626 -3.679 -41.756 1.00 0.00 C ATOM 1342 C ALA A 89 4.098 -4.824 -40.861 1.00 0.00 C ATOM 1343 O ALA A 89 4.544 -5.848 -41.379 1.00 0.00 O ATOM 1344 CB ALA A 89 4.798 -2.759 -42.079 1.00 0.00 C ATOM 0 H ALA A 89 2.915 -2.110 -40.576 1.00 0.00 H new ATOM 0 HA ALA A 89 3.223 -4.138 -42.659 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.600 -3.339 -42.536 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.471 -1.983 -42.771 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.161 -2.297 -41.161 1.00 0.00 H new ATOM 1350 N MET A 90 4.013 -4.676 -39.534 1.00 0.00 N ATOM 1351 CA MET A 90 4.504 -5.697 -38.610 1.00 0.00 C ATOM 1352 C MET A 90 3.418 -6.248 -37.688 1.00 0.00 C ATOM 1353 O MET A 90 3.622 -7.287 -37.064 1.00 0.00 O ATOM 1354 CB MET A 90 5.688 -5.148 -37.806 1.00 0.00 C ATOM 1355 CG MET A 90 6.935 -4.987 -38.678 1.00 0.00 C ATOM 1356 SD MET A 90 7.586 -6.519 -39.406 1.00 0.00 S ATOM 1357 CE MET A 90 8.121 -7.406 -37.914 1.00 0.00 C ATOM 0 H MET A 90 3.608 -3.858 -39.079 1.00 0.00 H new ATOM 0 HA MET A 90 4.837 -6.542 -39.212 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.419 -4.184 -37.373 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.908 -5.820 -36.976 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.705 -4.291 -39.485 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.720 -4.529 -38.077 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.396 -8.428 -38.177 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.982 -6.899 -37.479 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.306 -7.424 -37.190 1.00 0.00 H new ATOM 1367 N ASN A 91 2.267 -5.577 -37.591 1.00 0.00 N ATOM 1368 CA ASN A 91 1.157 -6.106 -36.820 1.00 0.00 C ATOM 1369 C ASN A 91 0.633 -7.358 -37.524 1.00 0.00 C ATOM 1370 O ASN A 91 0.482 -7.372 -38.747 1.00 0.00 O ATOM 1371 CB ASN A 91 0.062 -5.045 -36.689 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.019 -5.441 -35.696 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.863 -6.380 -34.920 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.134 -4.721 -35.712 1.00 0.00 N ATOM 0 H ASN A 91 2.088 -4.676 -38.035 1.00 0.00 H new ATOM 0 HA ASN A 91 1.483 -6.371 -35.814 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.510 -4.102 -36.376 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.392 -4.874 -37.665 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.893 -4.942 -35.067 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.232 -3.947 -36.369 1.00 0.00 H new ATOM 1381 N GLY A 92 0.356 -8.411 -36.751 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.146 -9.666 -37.286 1.00 0.00 C ATOM 1383 C GLY A 92 0.954 -10.529 -37.910 1.00 0.00 C ATOM 1384 O GLY A 92 0.652 -11.606 -38.423 1.00 0.00 O ATOM 0 H GLY A 92 0.475 -8.411 -35.738 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.632 -10.227 -36.488 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.907 -9.456 -38.038 1.00 0.00 H new ATOM 1388 N PHE A 93 2.216 -10.086 -37.878 1.00 0.00 N ATOM 1389 CA PHE A 93 3.319 -10.834 -38.465 1.00 0.00 C ATOM 1390 C PHE A 93 3.527 -12.140 -37.695 1.00 0.00 C ATOM 1391 O PHE A 93 3.814 -12.106 -36.500 1.00 0.00 O ATOM 1392 CB PHE A 93 4.589 -9.975 -38.426 1.00 0.00 C ATOM 1393 CG PHE A 93 5.803 -10.634 -39.042 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.603 -11.505 -38.285 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.134 -10.368 -40.380 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.720 -12.118 -38.869 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.254 -10.978 -40.960 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.050 -11.854 -40.207 1.00 0.00 C ATOM 0 H PHE A 93 2.494 -9.205 -37.446 1.00 0.00 H new ATOM 0 HA PHE A 93 3.089 -11.079 -39.502 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.396 -9.037 -38.946 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.813 -9.724 -37.389 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.357 -11.703 -37.252 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.525 -9.693 -40.963 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.328 -12.795 -38.288 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.505 -10.773 -41.990 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.913 -12.323 -40.655 1.00 0.00 H new ATOM 1408 N GLN A 94 3.383 -13.288 -38.360 1.00 0.00 N ATOM 1409 CA GLN A 94 3.492 -14.579 -37.690 1.00 0.00 C ATOM 1410 C GLN A 94 4.951 -14.966 -37.451 1.00 0.00 C ATOM 1411 O GLN A 94 5.750 -14.999 -38.387 1.00 0.00 O ATOM 1412 CB GLN A 94 2.763 -15.652 -38.501 1.00 0.00 C ATOM 1413 CG GLN A 94 2.872 -17.003 -37.787 1.00 0.00 C ATOM 1414 CD GLN A 94 2.122 -18.111 -38.516 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.360 -17.869 -39.450 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.337 -19.349 -38.083 1.00 0.00 N ATOM 0 H GLN A 94 3.191 -13.347 -39.360 1.00 0.00 H new ATOM 0 HA GLN A 94 3.018 -14.497 -36.712 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.715 -15.379 -38.624 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.194 -15.722 -39.500 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.923 -17.279 -37.697 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.479 -16.908 -36.775 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.976 -19.513 -37.305 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.863 -20.135 -38.528 1.00 0.00 H new ATOM 1425 N ILE A 95 5.288 -15.262 -36.193 1.00 0.00 N ATOM 1426 CA ILE A 95 6.630 -15.667 -35.801 1.00 0.00 C ATOM 1427 C ILE A 95 6.575 -16.446 -34.485 1.00 0.00 C ATOM 1428 O ILE A 95 5.878 -16.049 -33.554 1.00 0.00 O ATOM 1429 CB ILE A 95 7.504 -14.416 -35.682 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.958 -14.776 -35.360 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.956 -13.460 -34.617 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.841 -13.530 -35.429 1.00 0.00 C ATOM 0 H ILE A 95 4.628 -15.225 -35.416 1.00 0.00 H new ATOM 0 HA ILE A 95 7.065 -16.326 -36.552 1.00 0.00 H new ATOM 0 HB ILE A 95 7.480 -13.915 -36.650 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.019 -15.218 -34.366 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.319 -15.525 -36.065 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.596 -12.580 -34.554 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.945 -13.155 -34.888 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.936 -13.964 -33.651 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.871 -13.801 -35.198 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.794 -13.106 -36.432 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.489 -12.794 -34.706 1.00 0.00 H new ATOM 1444 N GLY A 96 7.306 -17.561 -34.382 1.00 0.00 N ATOM 1445 CA GLY A 96 7.354 -18.315 -33.135 1.00 0.00 C ATOM 1446 C GLY A 96 5.975 -18.829 -32.717 1.00 0.00 C ATOM 1447 O GLY A 96 5.689 -18.916 -31.524 1.00 0.00 O ATOM 0 H GLY A 96 7.865 -17.954 -35.140 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.035 -19.158 -33.248 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.759 -17.682 -32.345 1.00 0.00 H new ATOM 1451 N MET A 97 5.126 -19.166 -33.695 1.00 0.00 N ATOM 1452 CA MET A 97 3.771 -19.660 -33.473 1.00 0.00 C ATOM 1453 C MET A 97 2.852 -18.648 -32.780 1.00 0.00 C ATOM 1454 O MET A 97 1.864 -19.033 -32.156 1.00 0.00 O ATOM 1455 CB MET A 97 3.790 -21.022 -32.774 1.00 0.00 C ATOM 1456 CG MET A 97 4.660 -22.030 -33.530 1.00 0.00 C ATOM 1457 SD MET A 97 4.159 -22.318 -35.245 1.00 0.00 S ATOM 1458 CE MET A 97 5.444 -23.507 -35.711 1.00 0.00 C ATOM 0 H MET A 97 5.372 -19.100 -34.683 1.00 0.00 H new ATOM 0 HA MET A 97 3.327 -19.802 -34.458 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.167 -20.905 -31.758 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.773 -21.405 -32.695 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.692 -21.679 -33.521 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.641 -22.980 -32.995 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.302 -23.808 -36.749 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.425 -23.046 -35.597 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.379 -24.384 -35.067 1.00 0.00 H new ATOM 1468 N LYS A 98 3.173 -17.356 -32.887 1.00 0.00 N ATOM 1469 CA LYS A 98 2.313 -16.274 -32.412 1.00 0.00 C ATOM 1470 C LYS A 98 2.466 -15.086 -33.363 1.00 0.00 C ATOM 1471 O LYS A 98 3.487 -14.965 -34.033 1.00 0.00 O ATOM 1472 CB LYS A 98 2.668 -15.916 -30.965 1.00 0.00 C ATOM 1473 CG LYS A 98 1.570 -15.023 -30.380 1.00 0.00 C ATOM 1474 CD LYS A 98 1.829 -14.668 -28.914 1.00 0.00 C ATOM 1475 CE LYS A 98 1.917 -15.889 -27.995 1.00 0.00 C ATOM 1476 NZ LYS A 98 0.666 -16.676 -28.012 1.00 0.00 N ATOM 0 H LYS A 98 4.043 -17.031 -33.309 1.00 0.00 H new ATOM 0 HA LYS A 98 1.267 -16.581 -32.409 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.771 -16.823 -30.369 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.628 -15.401 -30.931 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.499 -14.107 -30.966 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.609 -15.530 -30.464 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.759 -14.103 -28.844 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.032 -14.014 -28.561 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.749 -16.521 -28.307 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.129 -15.564 -26.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.724 -17.435 -27.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.138 -16.055 -27.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.530 -17.092 -28.955 1.00 0.00 H new ATOM 1490 N ARG A 99 1.466 -14.208 -33.442 1.00 0.00 N ATOM 1491 CA ARG A 99 1.548 -13.052 -34.323 1.00 0.00 C ATOM 1492 C ARG A 99 1.981 -11.820 -33.545 1.00 0.00 C ATOM 1493 O ARG A 99 1.436 -11.552 -32.477 1.00 0.00 O ATOM 1494 CB ARG A 99 0.211 -12.835 -35.031 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.093 -14.011 -35.961 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.405 -13.773 -36.707 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.703 -14.883 -37.620 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.328 -14.931 -38.899 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.614 -13.947 -39.442 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.667 -15.975 -39.651 1.00 0.00 N ATOM 0 H ARG A 99 0.598 -14.277 -32.910 1.00 0.00 H new ATOM 0 HA ARG A 99 2.303 -13.237 -35.087 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.586 -12.729 -34.294 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.241 -11.908 -35.603 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.721 -14.139 -36.675 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.158 -14.933 -35.383 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.219 -13.659 -35.991 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.343 -12.842 -37.270 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.233 -15.672 -37.251 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.346 -13.141 -38.878 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.335 -14.000 -40.422 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.213 -16.737 -39.249 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.381 -16.013 -40.629 1.00 0.00 H new ATOM 1514 N LEU A 100 2.952 -11.068 -34.068 1.00 0.00 N ATOM 1515 CA LEU A 100 3.428 -9.855 -33.421 1.00 0.00 C ATOM 1516 C LEU A 100 2.305 -8.836 -33.273 1.00 0.00 C ATOM 1517 O LEU A 100 1.623 -8.514 -34.247 1.00 0.00 O ATOM 1518 CB LEU A 100 4.583 -9.242 -34.213 1.00 0.00 C ATOM 1519 CG LEU A 100 5.789 -10.179 -34.331 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.906 -9.455 -35.081 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.304 -10.589 -32.953 1.00 0.00 C ATOM 0 H LEU A 100 3.424 -11.285 -34.946 1.00 0.00 H new ATOM 0 HA LEU A 100 3.783 -10.126 -32.427 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.233 -8.981 -35.212 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.895 -8.315 -33.732 1.00 0.00 H new ATOM 0 HG LEU A 100 5.480 -11.076 -34.867 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.770 -10.113 -35.171 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.556 -9.178 -36.075 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.190 -8.557 -34.533 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.160 -11.254 -33.068 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.606 -9.701 -32.398 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.514 -11.106 -32.408 1.00 0.00 H new ATOM 1533 N LYS A 101 2.121 -8.330 -32.055 1.00 0.00 N ATOM 1534 CA LYS A 101 1.196 -7.237 -31.785 1.00 0.00 C ATOM 1535 C LYS A 101 1.963 -5.925 -31.917 1.00 0.00 C ATOM 1536 O LYS A 101 3.084 -5.820 -31.421 1.00 0.00 O ATOM 1537 CB LYS A 101 0.603 -7.421 -30.382 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.361 -6.293 -30.004 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.680 -6.308 -28.506 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.273 -7.633 -28.027 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.586 -7.903 -28.645 1.00 0.00 N ATOM 0 H LYS A 101 2.611 -8.669 -31.227 1.00 0.00 H new ATOM 0 HA LYS A 101 0.368 -7.226 -32.494 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.078 -8.375 -30.334 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.411 -7.465 -29.652 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.077 -5.332 -30.275 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.284 -6.395 -30.575 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.232 -6.102 -27.945 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.380 -5.503 -28.283 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.586 -8.445 -28.264 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.379 -7.612 -26.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.962 -8.802 -28.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.244 -7.132 -28.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.478 -7.965 -29.677 1.00 0.00 H new ATOM 1555 N VAL A 102 1.371 -4.928 -32.577 1.00 0.00 N ATOM 1556 CA VAL A 102 1.976 -3.603 -32.703 1.00 0.00 C ATOM 1557 C VAL A 102 0.944 -2.534 -32.367 1.00 0.00 C ATOM 1558 O VAL A 102 -0.203 -2.641 -32.800 1.00 0.00 O ATOM 1559 CB VAL A 102 2.588 -3.417 -34.096 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.319 -2.082 -34.216 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.571 -4.541 -34.431 1.00 0.00 C ATOM 0 H VAL A 102 0.464 -5.016 -33.036 1.00 0.00 H new ATOM 0 HA VAL A 102 2.795 -3.505 -31.990 1.00 0.00 H new ATOM 0 HB VAL A 102 1.756 -3.438 -34.800 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.739 -1.986 -35.217 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.619 -1.266 -34.037 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.122 -2.039 -33.480 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.986 -4.377 -35.426 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.378 -4.549 -33.698 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.050 -5.498 -34.408 1.00 0.00 H new ATOM 1571 N GLN A 103 1.331 -1.506 -31.600 1.00 0.00 N ATOM 1572 CA GLN A 103 0.376 -0.507 -31.141 1.00 0.00 C ATOM 1573 C GLN A 103 1.042 0.847 -30.891 1.00 0.00 C ATOM 1574 O GLN A 103 2.255 0.922 -30.731 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.275 -1.039 -29.860 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.434 -0.156 -29.385 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.294 -0.827 -28.312 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -3.120 -0.171 -27.683 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -2.122 -2.126 -28.085 1.00 0.00 N ATOM 0 H GLN A 103 2.290 -1.351 -31.290 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.375 -0.340 -31.913 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.640 -2.051 -30.034 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.476 -1.103 -29.073 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.034 0.778 -28.991 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.062 0.101 -30.238 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.430 -2.650 -28.620 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.682 -2.598 -27.376 1.00 0.00 H new ATOM 1588 N LEU A 104 0.248 1.922 -30.856 1.00 0.00 N ATOM 1589 CA LEU A 104 0.729 3.257 -30.511 1.00 0.00 C ATOM 1590 C LEU A 104 1.111 3.321 -29.029 1.00 0.00 C ATOM 1591 O LEU A 104 0.626 2.535 -28.216 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.365 4.281 -30.831 1.00 0.00 C ATOM 1593 CG LEU A 104 0.083 5.244 -31.934 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.130 5.993 -32.483 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.073 6.262 -31.372 1.00 0.00 C ATOM 0 H LEU A 104 -0.749 1.887 -31.067 1.00 0.00 H new ATOM 0 HA LEU A 104 1.619 3.486 -31.097 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.272 3.763 -31.143 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.614 4.844 -29.932 1.00 0.00 H new ATOM 0 HG LEU A 104 0.560 4.669 -32.728 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.810 6.678 -33.268 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.844 5.279 -32.894 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.603 6.557 -31.680 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.385 6.942 -32.165 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.596 6.830 -30.573 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.945 5.741 -30.976 1.00 0.00 H new ATOM 1607 N LYS A 105 1.993 4.265 -28.680 1.00 0.00 N ATOM 1608 CA LYS A 105 2.427 4.459 -27.307 1.00 0.00 C ATOM 1609 C LYS A 105 1.326 5.043 -26.426 1.00 0.00 C ATOM 1610 O LYS A 105 0.415 5.720 -26.901 1.00 0.00 O ATOM 1611 CB LYS A 105 3.686 5.333 -27.265 1.00 0.00 C ATOM 1612 CG LYS A 105 4.043 5.621 -25.808 1.00 0.00 C ATOM 1613 CD LYS A 105 5.441 6.211 -25.637 1.00 0.00 C ATOM 1614 CE LYS A 105 5.651 6.563 -24.161 1.00 0.00 C ATOM 1615 NZ LYS A 105 5.542 5.380 -23.287 1.00 0.00 N ATOM 0 H LYS A 105 2.420 4.910 -29.345 1.00 0.00 H new ATOM 0 HA LYS A 105 2.666 3.477 -26.899 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.513 4.826 -27.762 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.515 6.266 -27.802 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.310 6.312 -25.391 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.973 4.697 -25.234 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.195 5.496 -25.965 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.554 7.100 -26.257 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.633 7.018 -24.034 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.914 7.306 -23.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.839 5.632 -22.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.556 5.050 -23.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.154 4.622 -23.651 1.00 0.00 H new ATOM 1629 N ARG A 106 1.441 4.762 -25.126 1.00 0.00 N ATOM 1630 CA ARG A 106 0.612 5.287 -24.051 1.00 0.00 C ATOM 1631 C ARG A 106 1.535 5.763 -22.934 1.00 0.00 C ATOM 1632 O ARG A 106 2.695 5.356 -22.877 1.00 0.00 O ATOM 1633 CB ARG A 106 -0.337 4.198 -23.547 1.00 0.00 C ATOM 1634 CG ARG A 106 -1.134 3.614 -24.710 1.00 0.00 C ATOM 1635 CD ARG A 106 -2.054 2.510 -24.191 1.00 0.00 C ATOM 1636 NE ARG A 106 -2.868 1.953 -25.278 1.00 0.00 N ATOM 1637 CZ ARG A 106 -4.110 2.347 -25.570 1.00 0.00 C ATOM 1638 NH1 ARG A 106 -4.703 3.321 -24.886 1.00 0.00 N ATOM 1639 NH2 ARG A 106 -4.771 1.760 -26.561 1.00 0.00 N ATOM 0 H ARG A 106 2.158 4.124 -24.781 1.00 0.00 H new ATOM 0 HA ARG A 106 0.005 6.120 -24.405 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.232 3.410 -23.054 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.017 4.614 -22.803 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.721 4.396 -25.192 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.457 3.214 -25.465 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.458 1.719 -23.735 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.704 2.909 -23.412 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.457 1.215 -25.849 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.208 3.782 -24.122 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.652 3.607 -25.125 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.330 1.012 -27.095 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.720 2.058 -26.788 1.00 0.00 H new ATOM 1653 N SER A 107 1.033 6.625 -22.047 1.00 0.00 N ATOM 1654 CA SER A 107 1.834 7.192 -20.970 1.00 0.00 C ATOM 1655 C SER A 107 1.110 7.081 -19.633 1.00 0.00 C ATOM 1656 O SER A 107 -0.104 6.883 -19.589 1.00 0.00 O ATOM 1657 CB SER A 107 2.184 8.642 -21.296 1.00 0.00 C ATOM 1658 OG SER A 107 3.018 8.700 -22.433 1.00 0.00 O ATOM 0 H SER A 107 0.065 6.946 -22.058 1.00 0.00 H new ATOM 0 HA SER A 107 2.760 6.624 -20.882 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.272 9.212 -21.476 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.685 9.103 -20.445 1.00 0.00 H new ATOM 0 HG SER A 107 3.234 9.635 -22.633 1.00 0.00 H new ATOM 1664 N LYS A 108 1.856 7.211 -18.531 1.00 0.00 N ATOM 1665 CA LYS A 108 1.295 7.089 -17.189 1.00 0.00 C ATOM 1666 C LYS A 108 0.282 8.193 -16.892 1.00 0.00 C ATOM 1667 O LYS A 108 -0.555 8.045 -16.001 1.00 0.00 O ATOM 1668 CB LYS A 108 2.432 7.109 -16.162 1.00 0.00 C ATOM 1669 CG LYS A 108 3.412 5.965 -16.430 1.00 0.00 C ATOM 1670 CD LYS A 108 4.478 5.921 -15.338 1.00 0.00 C ATOM 1671 CE LYS A 108 5.480 4.810 -15.646 1.00 0.00 C ATOM 1672 NZ LYS A 108 6.538 4.736 -14.621 1.00 0.00 N ATOM 0 H LYS A 108 2.858 7.402 -18.547 1.00 0.00 H new ATOM 0 HA LYS A 108 0.760 6.142 -17.126 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.956 8.064 -16.208 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.023 7.018 -15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.876 5.017 -16.464 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.883 6.100 -17.404 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.991 6.881 -15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.013 5.746 -14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.959 3.854 -15.702 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.930 4.985 -16.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.201 3.971 -14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.051 5.640 -14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.110 4.544 -13.693 1.00 0.00 H new ATOM 1686 N ASN A 109 0.349 9.305 -17.629 1.00 0.00 N ATOM 1687 CA ASN A 109 -0.587 10.409 -17.469 1.00 0.00 C ATOM 1688 C ASN A 109 -1.980 10.039 -17.984 1.00 0.00 C ATOM 1689 O ASN A 109 -2.936 10.777 -17.755 1.00 0.00 O ATOM 1690 CB ASN A 109 -0.049 11.638 -18.207 1.00 0.00 C ATOM 1691 CG ASN A 109 1.303 12.095 -17.673 1.00 0.00 C ATOM 1692 OD1 ASN A 109 1.748 11.658 -16.614 1.00 0.00 O ATOM 1693 ND2 ASN A 109 1.968 12.980 -18.406 1.00 0.00 N ATOM 0 H ASN A 109 1.053 9.460 -18.350 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.683 10.635 -16.407 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.042 11.409 -19.269 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.766 12.454 -18.117 1.00 0.00 H new ATOM 0 HD21 ASN A 109 2.879 13.319 -18.095 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.568 13.321 -19.280 1.00 0.00 H new ATOM 1700 N ASP A 110 -2.097 8.904 -18.680 1.00 0.00 N ATOM 1701 CA ASP A 110 -3.373 8.422 -19.192 1.00 0.00 C ATOM 1702 C ASP A 110 -4.181 7.718 -18.100 1.00 0.00 C ATOM 1703 O ASP A 110 -5.340 7.368 -18.323 1.00 0.00 O ATOM 1704 CB ASP A 110 -3.123 7.470 -20.365 1.00 0.00 C ATOM 1705 CG ASP A 110 -2.342 8.119 -21.512 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -2.214 9.365 -21.516 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -1.876 7.355 -22.389 1.00 0.00 O ATOM 0 H ASP A 110 -1.307 8.298 -18.902 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.955 9.278 -19.533 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.574 6.599 -20.007 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.080 7.110 -20.743 1.00 0.00 H new ATOM 1712 N SER A 111 -3.583 7.505 -16.924 1.00 0.00 N ATOM 1713 CA SER A 111 -4.246 6.846 -15.804 1.00 0.00 C ATOM 1714 C SER A 111 -4.200 7.705 -14.541 1.00 0.00 C ATOM 1715 O SER A 111 -5.119 7.643 -13.722 1.00 0.00 O ATOM 1716 CB SER A 111 -3.588 5.485 -15.572 1.00 0.00 C ATOM 1717 OG SER A 111 -4.179 4.840 -14.462 1.00 0.00 O ATOM 0 H SER A 111 -2.623 7.787 -16.725 1.00 0.00 H new ATOM 0 HA SER A 111 -5.299 6.703 -16.046 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.695 4.865 -16.462 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.519 5.614 -15.400 1.00 0.00 H new ATOM 0 HG SER A 111 -3.751 3.969 -14.324 1.00 0.00 H new ATOM 1723 N LYS A 112 -3.144 8.511 -14.371 1.00 0.00 N ATOM 1724 CA LYS A 112 -3.040 9.435 -13.249 1.00 0.00 C ATOM 1725 C LYS A 112 -3.985 10.623 -13.449 1.00 0.00 C ATOM 1726 O LYS A 112 -4.343 10.940 -14.584 1.00 0.00 O ATOM 1727 CB LYS A 112 -1.591 9.908 -13.098 1.00 0.00 C ATOM 1728 CG LYS A 112 -0.691 8.743 -12.688 1.00 0.00 C ATOM 1729 CD LYS A 112 0.762 9.160 -12.432 1.00 0.00 C ATOM 1730 CE LYS A 112 1.455 9.717 -13.679 1.00 0.00 C ATOM 1731 NZ LYS A 112 1.145 11.138 -13.915 1.00 0.00 N ATOM 0 H LYS A 112 -2.346 8.537 -15.006 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.334 8.921 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.241 10.333 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.536 10.699 -12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.094 8.282 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.712 7.984 -13.470 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.784 9.913 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.322 8.299 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.533 9.597 -13.574 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.152 9.134 -14.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.451 11.406 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.120 11.290 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.645 11.723 -13.216 1.00 0.00 H new ATOM 1745 N PRO A 113 -4.391 11.289 -12.358 1.00 0.00 N ATOM 1746 CA PRO A 113 -5.230 12.471 -12.401 1.00 0.00 C ATOM 1747 C PRO A 113 -4.406 13.701 -12.769 1.00 0.00 C ATOM 1748 O PRO A 113 -4.931 14.815 -12.778 1.00 0.00 O ATOM 1749 CB PRO A 113 -5.813 12.585 -10.995 1.00 0.00 C ATOM 1750 CG PRO A 113 -4.675 12.052 -10.126 1.00 0.00 C ATOM 1751 CD PRO A 113 -4.053 10.952 -10.984 1.00 0.00 C ATOM 0 HA PRO A 113 -6.013 12.401 -13.156 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -6.069 13.614 -10.743 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.722 11.994 -10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -3.952 12.833 -9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -5.044 11.661 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -2.973 10.910 -10.845 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -4.447 9.973 -10.712 1.00 0.00 H new ATOM 1759 N TRP A 114 -3.116 13.501 -13.072 1.00 0.00 N ATOM 1760 CA TRP A 114 -2.187 14.564 -13.417 1.00 0.00 C ATOM 1761 C TRP A 114 -1.202 14.052 -14.465 1.00 0.00 C ATOM 1762 O TRP A 114 -0.932 12.830 -14.463 1.00 0.00 O ATOM 1763 CB TRP A 114 -1.458 15.025 -12.155 1.00 0.00 C ATOM 1764 CG TRP A 114 -0.547 14.022 -11.522 1.00 0.00 C ATOM 1765 CD1 TRP A 114 -0.902 13.147 -10.557 1.00 0.00 C ATOM 1766 CD2 TRP A 114 0.849 13.718 -11.832 1.00 0.00 C ATOM 1767 NE1 TRP A 114 0.171 12.350 -10.226 1.00 0.00 N ATOM 1768 CE2 TRP A 114 1.278 12.654 -10.989 1.00 0.00 C ATOM 1769 CE3 TRP A 114 1.792 14.232 -12.738 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 2.577 12.131 -11.045 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 3.094 13.717 -12.805 1.00 0.00 C ATOM 1772 CH2 TRP A 114 3.492 12.671 -11.959 1.00 0.00 C ATOM 0 H TRP A 114 -2.690 12.574 -13.082 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.724 15.415 -13.836 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -0.875 15.913 -12.400 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.203 15.326 -11.418 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.883 13.082 -10.110 1.00 0.00 H new ATOM 0 HE1 TRP A 114 0.149 11.626 -9.507 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.508 15.040 -13.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 2.869 11.322 -10.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 3.797 14.129 -13.514 1.00 0.00 H new ATOM 0 HH2 TRP A 114 4.499 12.284 -12.012 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 1.006 -12.848 -21.428 1.00 0.00 O ATOM 1785 C5' U B 115 0.819 -11.562 -21.983 1.00 0.00 C ATOM 1786 C4' U B 115 1.621 -11.433 -23.282 1.00 0.00 C ATOM 1787 O4' U B 115 1.057 -12.254 -24.293 1.00 0.00 O ATOM 1788 C3' U B 115 1.534 -10.004 -23.806 1.00 0.00 C ATOM 1789 O3' U B 115 2.562 -9.741 -24.735 1.00 0.00 O ATOM 1790 C2' U B 115 0.187 -10.061 -24.517 1.00 0.00 C ATOM 1791 O2' U B 115 0.111 -9.093 -25.544 1.00 0.00 O ATOM 1792 C1' U B 115 0.150 -11.487 -25.067 1.00 0.00 C ATOM 1793 N1 U B 115 -1.219 -12.049 -25.045 1.00 0.00 N ATOM 1794 C2 U B 115 -2.106 -11.642 -26.037 1.00 0.00 C ATOM 1795 O2 U B 115 -1.792 -10.844 -26.921 1.00 0.00 O ATOM 1796 N3 U B 115 -3.379 -12.177 -25.987 1.00 0.00 N ATOM 1797 C4 U B 115 -3.839 -13.082 -25.047 1.00 0.00 C ATOM 1798 O4 U B 115 -4.995 -13.502 -25.095 1.00 0.00 O ATOM 1799 C5 U B 115 -2.851 -13.457 -24.059 1.00 0.00 C ATOM 1800 C6 U B 115 -1.600 -12.945 -24.083 1.00 0.00 C ATOM 0 H5' U B 115 1.137 -10.800 -21.272 1.00 0.00 H new ATOM 0 H5'' U B 115 -0.239 -11.392 -22.180 1.00 0.00 H new ATOM 0 H4' U B 115 2.649 -11.722 -23.063 1.00 0.00 H new ATOM 0 H3' U B 115 1.630 -9.233 -23.042 1.00 0.00 H new ATOM 0 H2' U B 115 -0.659 -9.840 -23.866 1.00 0.00 H new ATOM 0 HO2' U B 115 0.761 -9.309 -26.245 1.00 0.00 H new ATOM 0 HO5' U B 115 0.492 -12.924 -20.597 1.00 0.00 H new ATOM 0 H1' U B 115 0.447 -11.501 -26.116 1.00 0.00 H new ATOM 0 H3 U B 115 -4.038 -11.878 -26.706 1.00 0.00 H new ATOM 0 H5 U B 115 -3.119 -14.161 -23.285 1.00 0.00 H new ATOM 0 H6 U B 115 -0.888 -13.248 -23.329 1.00 0.00 H new ATOM 1811 P U B 116 4.074 -9.417 -24.276 1.00 0.00 P ATOM 1812 OP1 U B 116 4.947 -9.632 -25.455 1.00 0.00 O ATOM 1813 OP2 U B 116 4.358 -10.141 -23.015 1.00 0.00 O ATOM 1814 O5' U B 116 4.059 -7.836 -23.953 1.00 0.00 O ATOM 1815 C5' U B 116 3.685 -7.347 -22.679 1.00 0.00 C ATOM 1816 C4' U B 116 3.947 -5.838 -22.616 1.00 0.00 C ATOM 1817 O4' U B 116 2.919 -5.128 -23.290 1.00 0.00 O ATOM 1818 C3' U B 116 3.930 -5.327 -21.177 1.00 0.00 C ATOM 1819 O3' U B 116 4.689 -4.135 -21.144 1.00 0.00 O ATOM 1820 C2' U B 116 2.440 -5.074 -20.979 1.00 0.00 C ATOM 1821 O2' U B 116 2.162 -4.126 -19.971 1.00 0.00 O ATOM 1822 C1' U B 116 2.014 -4.576 -22.350 1.00 0.00 C ATOM 1823 N1 U B 116 0.631 -5.019 -22.621 1.00 0.00 N ATOM 1824 C2 U B 116 -0.419 -4.219 -22.184 1.00 0.00 C ATOM 1825 O2 U B 116 -0.241 -3.164 -21.576 1.00 0.00 O ATOM 1826 N3 U B 116 -1.694 -4.674 -22.463 1.00 0.00 N ATOM 1827 C4 U B 116 -2.009 -5.848 -23.123 1.00 0.00 C ATOM 1828 O4 U B 116 -3.181 -6.155 -23.324 1.00 0.00 O ATOM 1829 C5 U B 116 -0.859 -6.625 -23.526 1.00 0.00 C ATOM 1830 C6 U B 116 0.397 -6.199 -23.272 1.00 0.00 C ATOM 0 H5' U B 116 4.251 -7.858 -21.900 1.00 0.00 H new ATOM 0 H5'' U B 116 2.631 -7.552 -22.494 1.00 0.00 H new ATOM 0 H4' U B 116 4.922 -5.677 -23.075 1.00 0.00 H new ATOM 0 H3' U B 116 4.347 -5.982 -20.411 1.00 0.00 H new ATOM 0 H2' U B 116 1.907 -5.962 -20.640 1.00 0.00 H new ATOM 0 HO2' U B 116 2.844 -4.185 -19.270 1.00 0.00 H new ATOM 0 H1' U B 116 2.032 -3.488 -22.409 1.00 0.00 H new ATOM 0 H3 U B 116 -2.473 -4.092 -22.154 1.00 0.00 H new ATOM 0 H5 U B 116 -1.007 -7.563 -24.040 1.00 0.00 H new ATOM 0 H6 U B 116 1.234 -6.803 -23.590 1.00 0.00 H new ATOM 1841 P U B 117 5.360 -3.588 -19.785 1.00 0.00 P ATOM 1842 OP1 U B 117 6.648 -4.293 -19.588 1.00 0.00 O ATOM 1843 OP2 U B 117 4.352 -3.597 -18.701 1.00 0.00 O ATOM 1844 O5' U B 117 5.670 -2.058 -20.195 1.00 0.00 O ATOM 1845 C5' U B 117 4.692 -1.053 -20.029 1.00 0.00 C ATOM 1846 C4' U B 117 5.057 0.167 -20.880 1.00 0.00 C ATOM 1847 O4' U B 117 4.481 0.017 -22.166 1.00 0.00 O ATOM 1848 C3' U B 117 4.450 1.444 -20.293 1.00 0.00 C ATOM 1849 O3' U B 117 5.191 2.568 -20.738 1.00 0.00 O ATOM 1850 C2' U B 117 3.088 1.443 -20.967 1.00 0.00 C ATOM 1851 O2' U B 117 2.452 2.706 -20.913 1.00 0.00 O ATOM 1852 C1' U B 117 3.542 1.058 -22.366 1.00 0.00 C ATOM 1853 N1 U B 117 2.435 0.624 -23.232 1.00 0.00 N ATOM 1854 C2 U B 117 2.153 1.394 -24.346 1.00 0.00 C ATOM 1855 O2 U B 117 2.787 2.408 -24.627 1.00 0.00 O ATOM 1856 N3 U B 117 1.109 0.964 -25.148 1.00 0.00 N ATOM 1857 C4 U B 117 0.324 -0.149 -24.921 1.00 0.00 C ATOM 1858 O4 U B 117 -0.594 -0.434 -25.684 1.00 0.00 O ATOM 1859 C5 U B 117 0.692 -0.894 -23.735 1.00 0.00 C ATOM 1860 C6 U B 117 1.709 -0.498 -22.939 1.00 0.00 C ATOM 0 H5' U B 117 4.623 -0.769 -18.979 1.00 0.00 H new ATOM 0 H5'' U B 117 3.713 -1.433 -20.321 1.00 0.00 H new ATOM 0 H4' U B 117 6.144 0.238 -20.913 1.00 0.00 H new ATOM 0 H3' U B 117 4.428 1.484 -19.204 1.00 0.00 H new ATOM 0 H2' U B 117 2.333 0.795 -20.523 1.00 0.00 H new ATOM 0 HO2' U B 117 3.128 3.415 -20.956 1.00 0.00 H new ATOM 0 H1' U B 117 3.970 1.914 -22.887 1.00 0.00 H new ATOM 0 H3 U B 117 0.902 1.518 -25.979 1.00 0.00 H new ATOM 0 H5 U B 117 0.140 -1.787 -23.481 1.00 0.00 H new ATOM 0 H6 U B 117 1.952 -1.075 -22.059 1.00 0.00 H new ATOM 1871 P A B 118 5.729 3.688 -19.717 1.00 0.00 P ATOM 1872 OP1 A B 118 4.976 3.586 -18.448 1.00 0.00 O ATOM 1873 OP2 A B 118 5.765 4.975 -20.448 1.00 0.00 O ATOM 1874 O5' A B 118 7.247 3.228 -19.452 1.00 0.00 O ATOM 1875 C5' A B 118 7.534 2.050 -18.738 1.00 0.00 C ATOM 1876 C4' A B 118 9.031 1.735 -18.798 1.00 0.00 C ATOM 1877 O4' A B 118 9.417 1.421 -20.127 1.00 0.00 O ATOM 1878 C3' A B 118 9.889 2.898 -18.299 1.00 0.00 C ATOM 1879 O3' A B 118 10.969 2.459 -17.503 1.00 0.00 O ATOM 1880 C2' A B 118 10.389 3.534 -19.595 1.00 0.00 C ATOM 1881 O2' A B 118 11.742 3.939 -19.501 1.00 0.00 O ATOM 1882 C1' A B 118 10.204 2.465 -20.669 1.00 0.00 C ATOM 1883 N9 A B 118 9.594 3.088 -21.858 1.00 0.00 N ATOM 1884 C8 A B 118 8.280 3.131 -22.259 1.00 0.00 C ATOM 1885 N7 A B 118 8.081 3.848 -23.333 1.00 0.00 N ATOM 1886 C5 A B 118 9.360 4.288 -23.673 1.00 0.00 C ATOM 1887 C6 A B 118 9.861 5.114 -24.695 1.00 0.00 C ATOM 1888 N6 A B 118 9.088 5.690 -25.617 1.00 0.00 N ATOM 1889 N1 A B 118 11.181 5.332 -24.749 1.00 0.00 N ATOM 1890 C2 A B 118 11.966 4.759 -23.852 1.00 0.00 C ATOM 1891 N3 A B 118 11.632 3.974 -22.839 1.00 0.00 N ATOM 1892 C4 A B 118 10.290 3.790 -22.805 1.00 0.00 C ATOM 0 H5' A B 118 6.965 1.219 -19.154 1.00 0.00 H new ATOM 0 H5'' A B 118 7.222 2.162 -17.700 1.00 0.00 H new ATOM 0 H4' A B 118 9.197 0.880 -18.143 1.00 0.00 H new ATOM 0 H3' A B 118 9.333 3.584 -17.660 1.00 0.00 H new ATOM 0 H2' A B 118 9.834 4.443 -19.826 1.00 0.00 H new ATOM 0 HO2' A B 118 12.274 3.214 -19.111 1.00 0.00 H new ATOM 0 H1' A B 118 11.155 2.034 -20.983 1.00 0.00 H new ATOM 0 H8 A B 118 7.486 2.620 -21.735 1.00 0.00 H new ATOM 0 H61 A B 118 9.506 6.280 -26.336 1.00 0.00 H new ATOM 0 H62 A B 118 8.079 5.540 -25.603 1.00 0.00 H new ATOM 0 H2 A B 118 13.022 4.958 -23.960 1.00 0.00 H new ATOM 1904 P A B 119 10.725 1.802 -16.054 1.00 0.00 P ATOM 1905 OP1 A B 119 9.396 2.237 -15.567 1.00 0.00 O ATOM 1906 OP2 A B 119 11.925 2.051 -15.224 1.00 0.00 O ATOM 1907 O5' A B 119 10.661 0.225 -16.373 1.00 0.00 O ATOM 1908 C5' A B 119 11.834 -0.505 -16.692 1.00 0.00 C ATOM 1909 C4' A B 119 11.662 -1.173 -18.053 1.00 0.00 C ATOM 1910 O4' A B 119 11.704 -0.203 -19.090 1.00 0.00 O ATOM 1911 C3' A B 119 12.784 -2.179 -18.298 1.00 0.00 C ATOM 1912 O3' A B 119 12.240 -3.428 -18.679 1.00 0.00 O ATOM 1913 C2' A B 119 13.602 -1.603 -19.452 1.00 0.00 C ATOM 1914 O2' A B 119 13.568 -2.450 -20.585 1.00 0.00 O ATOM 1915 C1' A B 119 12.935 -0.275 -19.792 1.00 0.00 C ATOM 1916 N9 A B 119 13.869 0.831 -19.485 1.00 0.00 N ATOM 1917 C8 A B 119 13.873 1.718 -18.438 1.00 0.00 C ATOM 1918 N7 A B 119 14.873 2.557 -18.453 1.00 0.00 N ATOM 1919 C5 A B 119 15.579 2.207 -19.602 1.00 0.00 C ATOM 1920 C6 A B 119 16.752 2.701 -20.204 1.00 0.00 C ATOM 1921 N6 A B 119 17.464 3.716 -19.709 1.00 0.00 N ATOM 1922 N1 A B 119 17.173 2.123 -21.335 1.00 0.00 N ATOM 1923 C2 A B 119 16.475 1.121 -21.849 1.00 0.00 C ATOM 1924 N3 A B 119 15.360 0.568 -21.392 1.00 0.00 N ATOM 1925 C4 A B 119 14.965 1.165 -20.243 1.00 0.00 C ATOM 0 H5' A B 119 12.026 -1.257 -15.927 1.00 0.00 H new ATOM 0 H5'' A B 119 12.697 0.161 -16.708 1.00 0.00 H new ATOM 0 H4' A B 119 10.697 -1.681 -18.055 1.00 0.00 H new ATOM 0 H3' A B 119 13.388 -2.337 -17.404 1.00 0.00 H new ATOM 0 H2' A B 119 14.649 -1.493 -19.170 1.00 0.00 H new ATOM 0 HO2' A B 119 12.660 -2.468 -20.953 1.00 0.00 H new ATOM 0 HO3' A B 119 12.955 -4.097 -18.722 1.00 0.00 H new ATOM 0 H1' A B 119 12.704 -0.191 -20.854 1.00 0.00 H new ATOM 0 H8 A B 119 13.115 1.722 -17.669 1.00 0.00 H new ATOM 0 H61 A B 119 18.307 4.030 -20.190 1.00 0.00 H new ATOM 0 H62 A B 119 17.165 4.177 -18.850 1.00 0.00 H new ATOM 0 H2 A B 119 16.867 0.698 -22.762 1.00 0.00 H new TER 1937 A B 119