USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 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 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 THR OG1 : rot 53:sc= 0.174 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 1.07 K(o=2.5,f=-3.3) USER MOD Set 2.2: A 7 SER OG : rot -114:sc= 1.29 USER MOD Set 2.3: A 74 GLN : amide:sc= 0.108 K(o=2.5,f=1) USER MOD Single : A 1 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.0032) USER MOD Single : A 1 HIS N :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.37) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.199 K(o=-0.2,f=-1.2) USER MOD Single : A 9 MET CE :methyl 163:sc= -0.109 (180deg=-0.536) USER MOD Single : A 13 THR OG1 : rot 80:sc= -1.07 USER MOD Single : A 19 HIS : no HE2:sc= -2.45 K(o=-2.5,f=-6.3!) USER MOD Single : A 20 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.8) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00122) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0106 (180deg=-0.154) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.156 USER MOD Single : A 37 THR OG1 : rot 23:sc= 0.0158 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.0153 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0.69 (180deg=0.645) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 55 HIS : no HE2:sc= -0.968 K(o=-0.97,f=-0.16) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0422) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 44:sc= -0.189 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00457 USER MOD Single : A 77 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= -0.727 (180deg=-2.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -3.446 -22.931 17.543 1.00 75.00 N ATOM 2 CA HIS A 1 -2.921 -23.217 16.188 1.00 75.00 C ATOM 3 C HIS A 1 -2.430 -21.911 15.544 1.00 75.00 C ATOM 4 O HIS A 1 -3.204 -21.186 14.918 1.00 75.00 O ATOM 5 CB HIS A 1 -3.991 -23.936 15.303 1.00 75.00 C ATOM 6 CG HIS A 1 -4.344 -25.339 15.774 1.00 75.00 C ATOM 7 ND1 HIS A 1 -3.959 -26.481 15.097 1.00 75.00 N ATOM 8 CD2 HIS A 1 -5.041 -25.784 16.857 1.00 75.00 C ATOM 9 CE1 HIS A 1 -4.402 -27.548 15.736 1.00 75.00 C ATOM 10 NE2 HIS A 1 -5.055 -27.153 16.802 1.00 75.00 N ATOM 0 H1 HIS A 1 -3.620 -23.826 18.044 1.00 75.00 H new ATOM 0 H2 HIS A 1 -2.751 -22.368 18.073 1.00 75.00 H new ATOM 0 H3 HIS A 1 -4.336 -22.399 17.465 1.00 75.00 H new ATOM 0 HA HIS A 1 -2.077 -23.902 16.270 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -4.898 -23.331 15.285 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -3.623 -23.990 14.278 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -5.498 -25.170 17.619 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -4.252 -28.573 15.432 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -5.502 -27.767 17.482 1.00 75.00 H new ATOM 21 N HIS A 2 -1.139 -21.594 15.761 1.00 75.00 N ATOM 22 CA HIS A 2 -0.492 -20.386 15.214 1.00 75.00 C ATOM 23 C HIS A 2 0.865 -20.764 14.615 1.00 75.00 C ATOM 24 O HIS A 2 1.623 -21.531 15.215 1.00 75.00 O ATOM 25 CB HIS A 2 -0.318 -19.299 16.312 1.00 75.00 C ATOM 26 CG HIS A 2 -1.598 -18.610 16.723 1.00 75.00 C ATOM 27 ND1 HIS A 2 -2.210 -17.643 15.951 1.00 75.00 N ATOM 28 CD2 HIS A 2 -2.375 -18.741 17.825 1.00 75.00 C ATOM 29 CE1 HIS A 2 -3.301 -17.223 16.558 1.00 75.00 C ATOM 30 NE2 HIS A 2 -3.422 -17.872 17.691 1.00 75.00 N ATOM 0 H HIS A 2 -0.513 -22.171 16.323 1.00 75.00 H new ATOM 0 HA HIS A 2 -1.129 -19.969 14.434 1.00 75.00 H new ATOM 0 HB2 HIS A 2 0.130 -19.759 17.192 1.00 75.00 H new ATOM 0 HB3 HIS A 2 0.385 -18.547 15.952 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -2.200 -19.408 18.656 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -3.981 -16.471 16.185 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -4.177 -17.748 18.365 1.00 75.00 H new ATOM 39 N HIS A 3 1.156 -20.223 13.421 1.00 75.00 N ATOM 40 CA HIS A 3 2.382 -20.534 12.660 1.00 75.00 C ATOM 41 C HIS A 3 2.915 -19.264 11.980 1.00 75.00 C ATOM 42 O HIS A 3 2.155 -18.333 11.723 1.00 75.00 O ATOM 43 CB HIS A 3 2.097 -21.615 11.578 1.00 75.00 C ATOM 44 CG HIS A 3 1.700 -22.971 12.107 1.00 75.00 C ATOM 45 ND1 HIS A 3 0.442 -23.515 11.944 1.00 75.00 N ATOM 46 CD2 HIS A 3 2.418 -23.902 12.773 1.00 75.00 C ATOM 47 CE1 HIS A 3 0.411 -24.709 12.489 1.00 75.00 C ATOM 48 NE2 HIS A 3 1.595 -24.967 12.998 1.00 75.00 N ATOM 0 H HIS A 3 0.546 -19.554 12.952 1.00 75.00 H new ATOM 0 HA HIS A 3 3.128 -20.917 13.356 1.00 75.00 H new ATOM 0 HB2 HIS A 3 1.303 -21.251 10.926 1.00 75.00 H new ATOM 0 HB3 HIS A 3 2.988 -21.731 10.961 1.00 75.00 H new ATOM 0 HD2 HIS A 3 3.452 -23.819 13.072 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -0.444 -25.368 12.515 1.00 75.00 H new ATOM 0 HE2 HIS A 3 1.857 -25.825 13.483 1.00 75.00 H new ATOM 57 N HIS A 4 4.222 -19.238 11.698 1.00 75.00 N ATOM 58 CA HIS A 4 4.869 -18.149 10.929 1.00 75.00 C ATOM 59 C HIS A 4 4.835 -18.461 9.419 1.00 75.00 C ATOM 60 O HIS A 4 4.629 -19.609 9.025 1.00 75.00 O ATOM 61 CB HIS A 4 6.326 -17.939 11.439 1.00 75.00 C ATOM 62 CG HIS A 4 7.106 -16.850 10.731 1.00 75.00 C ATOM 63 ND1 HIS A 4 6.745 -15.520 10.768 1.00 75.00 N ATOM 64 CD2 HIS A 4 8.209 -16.904 9.938 1.00 75.00 C ATOM 65 CE1 HIS A 4 7.582 -14.817 10.032 1.00 75.00 C ATOM 66 NE2 HIS A 4 8.478 -15.628 9.524 1.00 75.00 N ATOM 0 H HIS A 4 4.869 -19.969 11.993 1.00 75.00 H new ATOM 0 HA HIS A 4 4.318 -17.221 11.083 1.00 75.00 H new ATOM 0 HB2 HIS A 4 6.291 -17.706 12.503 1.00 75.00 H new ATOM 0 HB3 HIS A 4 6.869 -18.878 11.336 1.00 75.00 H new ATOM 0 HD2 HIS A 4 8.770 -17.791 9.682 1.00 75.00 H new ATOM 0 HE1 HIS A 4 7.537 -13.750 9.874 1.00 75.00 H new ATOM 0 HE2 HIS A 4 9.251 -15.352 8.918 1.00 75.00 H new ATOM 75 N HIS A 5 5.033 -17.428 8.585 1.00 75.00 N ATOM 76 CA HIS A 5 5.037 -17.560 7.119 1.00 75.00 C ATOM 77 C HIS A 5 6.249 -16.817 6.536 1.00 75.00 C ATOM 78 O HIS A 5 6.485 -15.649 6.877 1.00 75.00 O ATOM 79 CB HIS A 5 3.717 -16.984 6.562 1.00 75.00 C ATOM 80 CG HIS A 5 3.435 -17.284 5.114 1.00 75.00 C ATOM 81 ND1 HIS A 5 3.118 -16.313 4.196 1.00 75.00 N ATOM 82 CD2 HIS A 5 3.343 -18.462 4.447 1.00 75.00 C ATOM 83 CE1 HIS A 5 2.845 -16.872 3.044 1.00 75.00 C ATOM 84 NE2 HIS A 5 2.972 -18.170 3.168 1.00 75.00 N ATOM 0 H HIS A 5 5.195 -16.475 8.909 1.00 75.00 H new ATOM 0 HA HIS A 5 5.113 -18.610 6.835 1.00 75.00 H new ATOM 0 HB2 HIS A 5 2.892 -17.369 7.161 1.00 75.00 H new ATOM 0 HB3 HIS A 5 3.729 -15.902 6.694 1.00 75.00 H new ATOM 0 HD2 HIS A 5 3.529 -19.446 4.853 1.00 75.00 H new ATOM 0 HE1 HIS A 5 2.562 -16.350 2.142 1.00 75.00 H new ATOM 0 HE2 HIS A 5 2.818 -18.853 2.426 1.00 75.00 H new ATOM 93 N HIS A 6 7.021 -17.503 5.678 1.00 75.00 N ATOM 94 CA HIS A 6 8.195 -16.911 5.006 1.00 75.00 C ATOM 95 C HIS A 6 7.744 -16.163 3.736 1.00 75.00 C ATOM 96 O HIS A 6 7.594 -16.772 2.666 1.00 75.00 O ATOM 97 CB HIS A 6 9.253 -17.995 4.661 1.00 75.00 C ATOM 98 CG HIS A 6 9.743 -18.784 5.850 1.00 75.00 C ATOM 99 ND1 HIS A 6 10.666 -18.296 6.751 1.00 75.00 N ATOM 100 CD2 HIS A 6 9.409 -20.021 6.304 1.00 75.00 C ATOM 101 CE1 HIS A 6 10.871 -19.184 7.697 1.00 75.00 C ATOM 102 NE2 HIS A 6 10.130 -20.237 7.447 1.00 75.00 N ATOM 0 H HIS A 6 6.853 -18.478 5.430 1.00 75.00 H new ATOM 0 HA HIS A 6 8.665 -16.203 5.688 1.00 75.00 H new ATOM 0 HB2 HIS A 6 8.826 -18.685 3.933 1.00 75.00 H new ATOM 0 HB3 HIS A 6 10.106 -17.514 4.182 1.00 75.00 H new ATOM 0 HD2 HIS A 6 8.707 -20.704 5.849 1.00 75.00 H new ATOM 0 HE1 HIS A 6 11.537 -19.067 8.539 1.00 75.00 H new ATOM 0 HE2 HIS A 6 10.096 -21.084 8.015 1.00 75.00 H new ATOM 111 N SER A 7 7.492 -14.853 3.883 1.00 75.00 N ATOM 112 CA SER A 7 6.979 -13.999 2.795 1.00 75.00 C ATOM 113 C SER A 7 7.111 -12.516 3.168 1.00 75.00 C ATOM 114 O SER A 7 7.684 -12.180 4.212 1.00 75.00 O ATOM 115 CB SER A 7 5.489 -14.343 2.520 1.00 75.00 C ATOM 116 OG SER A 7 4.685 -14.082 3.662 1.00 75.00 O ATOM 0 H SER A 7 7.638 -14.353 4.760 1.00 75.00 H new ATOM 0 HA SER A 7 7.567 -14.185 1.896 1.00 75.00 H new ATOM 0 HB2 SER A 7 5.127 -13.757 1.675 1.00 75.00 H new ATOM 0 HB3 SER A 7 5.400 -15.393 2.241 1.00 75.00 H new ATOM 0 HG SER A 7 4.326 -14.925 4.009 1.00 75.00 H new ATOM 122 N HIS A 8 6.593 -11.633 2.288 1.00 50.00 N ATOM 123 CA HIS A 8 6.336 -10.223 2.608 1.00 50.00 C ATOM 124 C HIS A 8 5.348 -10.191 3.793 1.00 50.00 C ATOM 125 O HIS A 8 4.146 -10.429 3.619 1.00 50.00 O ATOM 126 CB HIS A 8 5.755 -9.506 1.361 1.00 50.00 C ATOM 127 CG HIS A 8 5.608 -8.002 1.451 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.094 -7.153 0.477 1.00 75.00 N ATOM 129 CD2 HIS A 8 4.947 -7.209 2.328 1.00 75.00 C ATOM 130 CE1 HIS A 8 5.731 -5.919 0.749 1.00 75.00 C ATOM 131 NE2 HIS A 8 5.036 -5.920 1.867 1.00 75.00 N ATOM 0 H HIS A 8 6.342 -11.885 1.332 1.00 50.00 H new ATOM 0 HA HIS A 8 7.253 -9.702 2.885 1.00 50.00 H new ATOM 0 HB2 HIS A 8 6.393 -9.735 0.508 1.00 50.00 H new ATOM 0 HB3 HIS A 8 4.774 -9.932 1.149 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.649 -7.439 -0.329 1.00 75.00 H new ATOM 0 HD2 HIS A 8 4.442 -7.532 3.226 1.00 75.00 H new ATOM 0 HE1 HIS A 8 5.964 -5.049 0.154 1.00 75.00 H new ATOM 140 N MET A 9 5.893 -9.935 4.987 1.00 10.00 N ATOM 141 CA MET A 9 5.212 -10.144 6.277 1.00 10.00 C ATOM 142 C MET A 9 4.129 -9.086 6.560 1.00 10.00 C ATOM 143 O MET A 9 4.010 -8.080 5.844 1.00 50.00 O ATOM 144 CB MET A 9 6.272 -10.157 7.418 1.00 50.00 C ATOM 145 CG MET A 9 7.108 -8.867 7.544 1.00 50.00 C ATOM 146 SD MET A 9 8.372 -8.974 8.840 1.00 50.00 S ATOM 147 CE MET A 9 9.395 -10.339 8.276 1.00 75.00 C ATOM 0 H MET A 9 6.839 -9.569 5.090 1.00 10.00 H new ATOM 0 HA MET A 9 4.698 -11.104 6.229 1.00 10.00 H new ATOM 0 HB2 MET A 9 5.763 -10.336 8.365 1.00 50.00 H new ATOM 0 HB3 MET A 9 6.948 -10.996 7.256 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.590 -8.657 6.589 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.445 -8.029 7.758 1.00 50.00 H new ATOM 0 HE1 MET A 9 10.352 -10.316 8.797 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.891 -11.282 8.485 1.00 75.00 H new ATOM 0 HE3 MET A 9 9.564 -10.248 7.203 1.00 75.00 H new ATOM 157 N VAL A 10 3.348 -9.344 7.625 1.00 10.00 N ATOM 158 CA VAL A 10 2.311 -8.425 8.112 1.00 10.00 C ATOM 159 C VAL A 10 2.956 -7.181 8.765 1.00 10.00 C ATOM 160 O VAL A 10 4.012 -7.285 9.406 1.00 50.00 O ATOM 161 CB VAL A 10 1.336 -9.139 9.130 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.625 -10.343 8.466 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.069 -9.581 10.424 1.00 50.00 C ATOM 0 H VAL A 10 3.422 -10.201 8.173 1.00 10.00 H new ATOM 0 HA VAL A 10 1.720 -8.106 7.254 1.00 10.00 H new ATOM 0 HB VAL A 10 0.581 -8.407 9.417 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.040 -10.816 9.188 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.044 -9.996 7.611 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.369 -11.065 8.130 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.361 -10.067 11.095 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.866 -10.279 10.170 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.495 -8.707 10.917 1.00 50.00 H new ATOM 173 N GLY A 11 2.334 -6.009 8.558 1.00 10.00 N ATOM 174 CA GLY A 11 2.799 -4.769 9.175 1.00 10.00 C ATOM 175 C GLY A 11 3.911 -4.061 8.402 1.00 10.00 C ATOM 176 O GLY A 11 4.494 -3.108 8.935 1.00 50.00 O ATOM 0 H GLY A 11 1.509 -5.900 7.968 1.00 10.00 H new ATOM 0 HA2 GLY A 11 1.954 -4.089 9.278 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.155 -4.989 10.181 1.00 10.00 H new ATOM 180 N ASP A 12 4.223 -4.511 7.163 1.00 10.00 N ATOM 181 CA ASP A 12 5.348 -3.934 6.381 1.00 10.00 C ATOM 182 C ASP A 12 5.029 -2.478 5.981 1.00 10.00 C ATOM 183 O ASP A 12 4.043 -2.234 5.297 1.00 50.00 O ATOM 184 CB ASP A 12 5.662 -4.759 5.105 1.00 50.00 C ATOM 185 CG ASP A 12 6.990 -4.373 4.400 1.00 50.00 C ATOM 186 OD1 ASP A 12 7.743 -3.493 4.886 1.00 50.00 O ATOM 187 OD2 ASP A 12 7.287 -4.958 3.347 1.00 50.00 O ATOM 0 H ASP A 12 3.721 -5.261 6.687 1.00 10.00 H new ATOM 0 HA ASP A 12 6.228 -3.961 7.023 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.700 -5.815 5.371 1.00 50.00 H new ATOM 0 HB3 ASP A 12 4.841 -4.638 4.398 1.00 50.00 H new ATOM 192 N THR A 13 5.924 -1.542 6.343 1.00 10.00 N ATOM 193 CA THR A 13 5.664 -0.103 6.241 1.00 10.00 C ATOM 194 C THR A 13 5.664 0.348 4.769 1.00 10.00 C ATOM 195 O THR A 13 6.679 0.248 4.077 1.00 50.00 O ATOM 196 CB THR A 13 6.737 0.688 7.048 1.00 50.00 C ATOM 197 OG1 THR A 13 6.792 0.163 8.383 1.00 50.00 O ATOM 198 CG2 THR A 13 6.436 2.199 7.097 1.00 50.00 C ATOM 0 H THR A 13 6.847 -1.766 6.714 1.00 10.00 H new ATOM 0 HA THR A 13 4.679 0.103 6.660 1.00 10.00 H new ATOM 0 HB THR A 13 7.696 0.567 6.545 1.00 50.00 H new ATOM 0 HG1 THR A 13 7.324 -0.660 8.389 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.212 2.706 7.670 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.414 2.599 6.083 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.469 2.362 7.572 1.00 50.00 H new ATOM 206 N VAL A 14 4.488 0.788 4.294 1.00 10.00 N ATOM 207 CA VAL A 14 4.274 1.260 2.913 1.00 10.00 C ATOM 208 C VAL A 14 3.434 2.550 2.905 1.00 10.00 C ATOM 209 O VAL A 14 2.994 3.046 3.952 1.00 50.00 O ATOM 210 CB VAL A 14 3.559 0.179 2.016 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.442 -1.071 1.828 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.161 -0.188 2.583 1.00 50.00 C ATOM 0 H VAL A 14 3.645 0.827 4.866 1.00 10.00 H new ATOM 0 HA VAL A 14 5.262 1.454 2.495 1.00 10.00 H new ATOM 0 HB VAL A 14 3.406 0.617 1.030 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.918 -1.796 1.205 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.377 -0.787 1.346 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.655 -1.515 2.800 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.693 -0.936 1.942 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.271 -0.591 3.590 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.536 0.704 2.615 1.00 50.00 H new ATOM 222 N TRP A 15 3.215 3.071 1.697 1.00 10.00 N ATOM 223 CA TRP A 15 2.351 4.220 1.425 1.00 10.00 C ATOM 224 C TRP A 15 1.343 3.820 0.342 1.00 10.00 C ATOM 225 O TRP A 15 1.627 2.937 -0.478 1.00 50.00 O ATOM 226 CB TRP A 15 3.198 5.436 0.946 1.00 50.00 C ATOM 227 CG TRP A 15 4.128 6.021 1.997 1.00 50.00 C ATOM 228 CD1 TRP A 15 3.934 6.039 3.350 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.377 6.703 1.774 1.00 50.00 C ATOM 230 NE1 TRP A 15 4.981 6.661 3.971 1.00 50.00 N ATOM 231 CE2 TRP A 15 5.875 7.082 3.032 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.121 7.019 0.641 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.076 7.768 3.187 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.317 7.703 0.791 1.00 50.00 C ATOM 235 CH2 TRP A 15 7.784 8.068 2.059 1.00 50.00 C ATOM 0 H TRP A 15 3.648 2.693 0.854 1.00 10.00 H new ATOM 0 HA TRP A 15 1.827 4.512 2.335 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.793 5.130 0.085 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.522 6.219 0.604 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.076 5.621 3.856 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.078 6.790 4.978 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.771 6.735 -0.341 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.435 8.053 4.165 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 7.897 7.958 -0.083 1.00 50.00 H new ATOM 0 HH2 TRP A 15 8.722 8.597 2.147 1.00 50.00 H new ATOM 246 N VAL A 16 0.169 4.469 0.334 1.00 10.00 N ATOM 247 CA VAL A 16 -0.837 4.285 -0.720 1.00 10.00 C ATOM 248 C VAL A 16 -0.849 5.561 -1.572 1.00 10.00 C ATOM 249 O VAL A 16 -1.298 6.631 -1.127 1.00 50.00 O ATOM 250 CB VAL A 16 -2.269 3.991 -0.142 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.332 3.882 -1.270 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.252 2.703 0.715 1.00 50.00 C ATOM 0 H VAL A 16 -0.108 5.134 1.056 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.573 3.414 -1.320 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.549 4.832 0.492 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.309 3.678 -0.831 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.372 4.820 -1.824 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.062 3.071 -1.947 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.251 2.514 1.108 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.939 1.860 0.099 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.554 2.826 1.543 1.00 50.00 H new ATOM 262 N ARG A 17 -0.264 5.445 -2.767 1.00 10.00 N ATOM 263 CA ARG A 17 -0.152 6.528 -3.733 1.00 10.00 C ATOM 264 C ARG A 17 -1.479 6.670 -4.519 1.00 10.00 C ATOM 265 O ARG A 17 -1.707 5.989 -5.528 1.00 50.00 O ATOM 266 CB ARG A 17 1.072 6.239 -4.651 1.00 50.00 C ATOM 267 CG ARG A 17 1.486 7.405 -5.561 1.00 50.00 C ATOM 268 CD ARG A 17 2.725 7.089 -6.419 1.00 50.00 C ATOM 269 NE ARG A 17 3.089 8.213 -7.306 1.00 50.00 N ATOM 270 CZ ARG A 17 4.064 8.185 -8.224 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.809 7.097 -8.398 1.00 75.00 N ATOM 272 NH2 ARG A 17 4.285 9.260 -8.969 1.00 75.00 N ATOM 0 H ARG A 17 0.153 4.573 -3.092 1.00 10.00 H new ATOM 0 HA ARG A 17 0.017 7.485 -3.238 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.921 5.966 -4.025 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.845 5.374 -5.274 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.653 7.661 -6.216 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.690 8.283 -4.947 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.567 6.855 -5.767 1.00 50.00 H new ATOM 0 HD3 ARG A 17 2.532 6.201 -7.021 1.00 50.00 H new ATOM 0 HE ARG A 17 2.556 9.078 -7.212 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.642 6.268 -7.828 1.00 75.00 H new ATOM 0 HH12 ARG A 17 5.548 7.092 -9.101 1.00 75.00 H new ATOM 0 HH21 ARG A 17 3.715 10.096 -8.840 1.00 75.00 H new ATOM 0 HH22 ARG A 17 5.025 9.251 -9.671 1.00 75.00 H new ATOM 286 N ARG A 18 -2.362 7.544 -4.007 1.00 10.00 N ATOM 287 CA ARG A 18 -3.698 7.769 -4.566 1.00 10.00 C ATOM 288 C ARG A 18 -3.625 8.759 -5.745 1.00 10.00 C ATOM 289 O ARG A 18 -3.173 9.907 -5.593 1.00 50.00 O ATOM 290 CB ARG A 18 -4.657 8.295 -3.466 1.00 50.00 C ATOM 291 CG ARG A 18 -6.092 8.618 -3.959 1.00 50.00 C ATOM 292 CD ARG A 18 -7.028 9.066 -2.820 1.00 50.00 C ATOM 293 NE ARG A 18 -8.345 9.537 -3.309 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.528 9.357 -2.679 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.597 8.701 -1.519 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.639 9.868 -3.205 1.00 75.00 N ATOM 0 H ARG A 18 -2.163 8.117 -3.187 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.088 6.822 -4.939 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.719 7.552 -2.671 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.227 9.195 -3.028 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.044 9.403 -4.714 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.512 7.736 -4.443 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.178 8.235 -2.131 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.548 9.865 -2.255 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.361 10.040 -4.196 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.749 8.326 -1.094 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -10.498 8.574 -1.057 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.595 10.392 -4.079 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -11.534 9.735 -2.734 1.00 75.00 H new ATOM 310 N HIS A 19 -4.052 8.286 -6.918 1.00 50.00 N ATOM 311 CA HIS A 19 -4.159 9.099 -8.131 1.00 50.00 C ATOM 312 C HIS A 19 -5.505 9.839 -8.123 1.00 50.00 C ATOM 313 O HIS A 19 -6.563 9.211 -8.257 1.00 75.00 O ATOM 314 CB HIS A 19 -4.014 8.184 -9.371 1.00 75.00 C ATOM 315 CG HIS A 19 -3.968 8.903 -10.684 1.00 75.00 C ATOM 316 ND1 HIS A 19 -2.869 9.617 -11.094 1.00 75.00 N ATOM 317 CD2 HIS A 19 -4.859 8.985 -11.697 1.00 75.00 C ATOM 318 CE1 HIS A 19 -3.083 10.101 -12.293 1.00 75.00 C ATOM 319 NE2 HIS A 19 -4.282 9.730 -12.685 1.00 75.00 N ATOM 0 H HIS A 19 -4.337 7.316 -7.054 1.00 50.00 H new ATOM 0 HA HIS A 19 -3.364 9.844 -8.167 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -3.104 7.594 -9.264 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -4.848 7.483 -9.386 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -2.017 9.750 -10.549 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -5.844 8.543 -11.721 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -2.391 10.703 -12.863 1.00 75.00 H new ATOM 328 N GLN A 20 -5.446 11.167 -7.917 1.00 75.00 N ATOM 329 CA GLN A 20 -6.636 12.028 -7.836 1.00 75.00 C ATOM 330 C GLN A 20 -7.369 12.090 -9.192 1.00 75.00 C ATOM 331 O GLN A 20 -8.431 11.486 -9.371 1.00 75.00 O ATOM 332 CB GLN A 20 -6.240 13.459 -7.364 1.00 75.00 C ATOM 333 CG GLN A 20 -5.648 13.543 -5.940 1.00 75.00 C ATOM 334 CD GLN A 20 -6.592 12.986 -4.874 1.00 75.00 C ATOM 335 OE1 GLN A 20 -6.521 11.821 -4.493 1.00 75.00 O ATOM 336 NE2 GLN A 20 -7.513 13.807 -4.417 1.00 75.00 N ATOM 0 H GLN A 20 -4.568 11.673 -7.802 1.00 75.00 H new ATOM 0 HA GLN A 20 -7.318 11.595 -7.104 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -5.514 13.868 -8.067 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -7.123 14.097 -7.411 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -4.707 12.993 -5.909 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -5.417 14.583 -5.708 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -7.549 14.770 -4.751 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -8.191 13.480 -3.729 1.00 75.00 H new ATOM 345 N THR A 21 -6.760 12.799 -10.145 1.00 75.00 N ATOM 346 CA THR A 21 -7.313 13.025 -11.487 1.00 75.00 C ATOM 347 C THR A 21 -6.251 12.606 -12.526 1.00 75.00 C ATOM 348 O THR A 21 -5.054 12.619 -12.212 1.00 75.00 O ATOM 349 CB THR A 21 -7.719 14.532 -11.641 1.00 75.00 C ATOM 350 OG1 THR A 21 -8.652 14.889 -10.605 1.00 75.00 O ATOM 351 CG2 THR A 21 -8.336 14.871 -13.007 1.00 75.00 C ATOM 0 H THR A 21 -5.852 13.241 -10.005 1.00 75.00 H new ATOM 0 HA THR A 21 -8.211 12.428 -11.646 1.00 75.00 H new ATOM 0 HB THR A 21 -6.796 15.106 -11.558 1.00 75.00 H new ATOM 0 HG1 THR A 21 -8.903 15.831 -10.702 1.00 75.00 H new ATOM 0 HG21 THR A 21 -8.591 15.930 -13.038 1.00 75.00 H new ATOM 0 HG22 THR A 21 -7.618 14.647 -13.796 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.237 14.276 -13.157 1.00 75.00 H new ATOM 359 N LYS A 22 -6.701 12.224 -13.742 1.00 75.00 N ATOM 360 CA LYS A 22 -5.827 11.730 -14.832 1.00 75.00 C ATOM 361 C LYS A 22 -4.795 12.790 -15.261 1.00 75.00 C ATOM 362 O LYS A 22 -3.643 12.459 -15.558 1.00 75.00 O ATOM 363 CB LYS A 22 -6.685 11.297 -16.051 1.00 75.00 C ATOM 364 CG LYS A 22 -7.779 10.248 -15.732 1.00 75.00 C ATOM 365 CD LYS A 22 -8.553 9.780 -16.989 1.00 75.00 C ATOM 366 CE LYS A 22 -9.244 10.935 -17.747 1.00 75.00 C ATOM 367 NZ LYS A 22 -10.225 11.669 -16.903 1.00 75.00 N ATOM 0 H LYS A 22 -7.688 12.250 -13.997 1.00 75.00 H new ATOM 0 HA LYS A 22 -5.279 10.868 -14.451 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -7.161 12.181 -16.475 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -6.024 10.892 -16.817 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -7.318 9.384 -15.253 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -8.483 10.671 -15.015 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -7.863 9.273 -17.664 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -9.305 9.048 -16.693 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -8.487 11.632 -18.107 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -9.753 10.536 -18.624 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -10.672 12.422 -17.465 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -10.955 11.009 -16.566 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -9.735 12.090 -16.088 1.00 75.00 H new ATOM 381 N ASN A 23 -5.228 14.064 -15.278 1.00 75.00 N ATOM 382 CA ASN A 23 -4.358 15.211 -15.636 1.00 75.00 C ATOM 383 C ASN A 23 -3.600 15.774 -14.411 1.00 50.00 C ATOM 384 O ASN A 23 -2.950 16.824 -14.508 1.00 50.00 O ATOM 385 CB ASN A 23 -5.200 16.321 -16.323 1.00 50.00 C ATOM 386 CG ASN A 23 -5.724 15.914 -17.710 1.00 75.00 C ATOM 387 OD1 ASN A 23 -6.832 15.399 -17.850 1.00 75.00 O ATOM 388 ND2 ASN A 23 -4.926 16.121 -18.745 1.00 75.00 N ATOM 0 H ASN A 23 -6.185 14.332 -15.046 1.00 75.00 H new ATOM 0 HA ASN A 23 -3.603 14.850 -16.335 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -6.045 16.575 -15.683 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.592 17.221 -16.421 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -5.226 15.852 -19.682 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -4.011 16.550 -18.606 1.00 75.00 H new ATOM 395 N LEU A 24 -3.658 15.063 -13.271 1.00 10.00 N ATOM 396 CA LEU A 24 -2.940 15.430 -12.027 1.00 50.00 C ATOM 397 C LEU A 24 -2.009 14.288 -11.608 1.00 50.00 C ATOM 398 O LEU A 24 -2.097 13.174 -12.143 1.00 50.00 O ATOM 399 CB LEU A 24 -3.945 15.760 -10.884 1.00 50.00 C ATOM 400 CG LEU A 24 -4.831 17.029 -11.095 1.00 75.00 C ATOM 401 CD1 LEU A 24 -5.793 17.231 -9.911 1.00 75.00 C ATOM 402 CD2 LEU A 24 -3.968 18.288 -11.334 1.00 75.00 C ATOM 0 H LEU A 24 -4.208 14.209 -13.182 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.344 16.322 -12.219 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.602 14.901 -10.746 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -3.383 15.883 -9.958 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.430 16.869 -11.992 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -6.399 18.121 -10.082 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -6.444 16.361 -9.818 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -5.219 17.354 -8.993 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -4.617 19.152 -11.477 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -3.324 18.457 -10.471 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -3.354 18.145 -12.223 1.00 75.00 H new ATOM 414 N GLU A 25 -1.128 14.581 -10.641 1.00 50.00 N ATOM 415 CA GLU A 25 -0.123 13.629 -10.147 1.00 10.00 C ATOM 416 C GLU A 25 -0.740 12.640 -9.121 1.00 10.00 C ATOM 417 O GLU A 25 -1.692 12.999 -8.408 1.00 50.00 O ATOM 418 CB GLU A 25 1.058 14.398 -9.491 1.00 50.00 C ATOM 419 CG GLU A 25 1.729 15.441 -10.417 1.00 50.00 C ATOM 420 CD GLU A 25 2.998 16.061 -9.810 1.00 75.00 C ATOM 421 OE1 GLU A 25 2.880 16.973 -8.962 1.00 75.00 O ATOM 422 OE2 GLU A 25 4.116 15.638 -10.178 1.00 75.00 O ATOM 0 H GLU A 25 -1.092 15.489 -10.178 1.00 50.00 H new ATOM 0 HA GLU A 25 0.243 13.053 -10.997 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.695 14.904 -8.596 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.810 13.679 -9.168 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.982 14.966 -11.365 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.015 16.234 -10.638 1.00 50.00 H new ATOM 429 N PRO A 26 -0.224 11.368 -9.047 1.00 10.00 N ATOM 430 CA PRO A 26 -0.575 10.421 -7.968 1.00 50.00 C ATOM 431 C PRO A 26 0.142 10.785 -6.645 1.00 10.00 C ATOM 432 O PRO A 26 1.366 10.645 -6.539 1.00 50.00 O ATOM 433 CB PRO A 26 -0.117 9.031 -8.523 1.00 50.00 C ATOM 434 CG PRO A 26 0.386 9.279 -9.930 1.00 50.00 C ATOM 435 CD PRO A 26 0.722 10.751 -10.012 1.00 50.00 C ATOM 0 HA PRO A 26 -1.637 10.434 -7.722 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.668 8.603 -7.899 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -0.945 8.322 -8.525 1.00 50.00 H new ATOM 0 HG2 PRO A 26 1.264 8.668 -10.142 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -0.373 9.013 -10.666 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.759 10.943 -9.738 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.581 11.141 -11.020 1.00 50.00 H new ATOM 443 N ARG A 27 -0.622 11.265 -5.652 1.00 10.00 N ATOM 444 CA ARG A 27 -0.078 11.711 -4.353 1.00 10.00 C ATOM 445 C ARG A 27 -0.070 10.547 -3.346 1.00 10.00 C ATOM 446 O ARG A 27 -1.102 9.904 -3.134 1.00 50.00 O ATOM 447 CB ARG A 27 -0.912 12.894 -3.795 1.00 50.00 C ATOM 448 CG ARG A 27 -0.364 13.478 -2.470 1.00 50.00 C ATOM 449 CD ARG A 27 -1.186 14.663 -1.943 1.00 50.00 C ATOM 450 NE ARG A 27 -0.566 15.260 -0.739 1.00 50.00 N ATOM 451 CZ ARG A 27 -0.535 16.573 -0.444 1.00 75.00 C ATOM 452 NH1 ARG A 27 -1.074 17.472 -1.262 1.00 75.00 N ATOM 453 NH2 ARG A 27 0.042 16.981 0.674 1.00 75.00 N ATOM 0 H ARG A 27 -1.635 11.356 -5.724 1.00 10.00 H new ATOM 0 HA ARG A 27 0.947 12.047 -4.506 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.946 13.686 -4.543 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -1.937 12.560 -3.637 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.346 12.692 -1.715 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.667 13.798 -2.621 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.275 15.421 -2.722 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -2.196 14.330 -1.706 1.00 50.00 H new ATOM 0 HE ARG A 27 -0.125 14.622 -0.076 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -1.520 17.171 -2.128 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -1.042 18.463 -1.023 1.00 75.00 H new ATOM 0 HH21 ARG A 27 0.461 16.302 1.309 1.00 75.00 H new ATOM 0 HH22 ARG A 27 0.068 17.975 0.901 1.00 75.00 H new ATOM 467 N TRP A 28 1.098 10.297 -2.728 1.00 10.00 N ATOM 468 CA TRP A 28 1.256 9.248 -1.707 1.00 10.00 C ATOM 469 C TRP A 28 0.605 9.673 -0.378 1.00 10.00 C ATOM 470 O TRP A 28 0.532 10.870 -0.057 1.00 50.00 O ATOM 471 CB TRP A 28 2.757 8.885 -1.500 1.00 50.00 C ATOM 472 CG TRP A 28 3.607 9.986 -0.900 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.314 10.941 -1.571 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.841 10.231 0.502 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.964 11.758 -0.681 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.687 11.343 0.597 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.406 9.612 1.680 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.112 11.852 1.819 1.00 50.00 C ATOM 479 CZ3 TRP A 28 3.825 10.114 2.895 1.00 50.00 C ATOM 480 CH2 TRP A 28 4.672 11.227 2.957 1.00 50.00 C ATOM 0 H TRP A 28 1.955 10.815 -2.922 1.00 10.00 H new ATOM 0 HA TRP A 28 0.744 8.355 -2.065 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.817 8.008 -0.855 1.00 50.00 H new ATOM 0 HB3 TRP A 28 3.183 8.602 -2.463 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.356 11.039 -2.646 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.559 12.548 -0.930 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.752 8.754 1.638 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 5.766 12.710 1.870 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.496 9.643 3.809 1.00 50.00 H new ATOM 0 HH2 TRP A 28 4.985 11.601 3.921 1.00 50.00 H new ATOM 491 N LYS A 29 0.129 8.678 0.379 1.00 10.00 N ATOM 492 CA LYS A 29 -0.438 8.864 1.729 1.00 10.00 C ATOM 493 C LYS A 29 0.164 7.809 2.662 1.00 10.00 C ATOM 494 O LYS A 29 0.408 6.682 2.234 1.00 50.00 O ATOM 495 CB LYS A 29 -1.992 8.739 1.680 1.00 50.00 C ATOM 496 CG LYS A 29 -2.681 9.806 0.798 1.00 50.00 C ATOM 497 CD LYS A 29 -4.194 9.576 0.612 1.00 50.00 C ATOM 498 CE LYS A 29 -4.836 10.683 -0.240 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.707 12.031 0.384 1.00 75.00 N ATOM 0 H LYS A 29 0.125 7.706 0.071 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.195 9.858 2.103 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.255 7.749 1.307 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.384 8.812 2.694 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.524 10.789 1.243 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.202 9.820 -0.181 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.360 8.609 0.137 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.679 9.540 1.587 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.369 10.696 -1.225 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -5.891 10.455 -0.390 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.322 12.705 -0.115 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.990 11.979 1.384 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -3.719 12.350 0.320 1.00 75.00 H new ATOM 513 N GLY A 30 0.408 8.181 3.927 1.00 10.00 N ATOM 514 CA GLY A 30 0.968 7.266 4.921 1.00 10.00 C ATOM 515 C GLY A 30 0.528 7.639 6.344 1.00 10.00 C ATOM 516 O GLY A 30 -0.293 8.547 6.509 1.00 50.00 O ATOM 0 H GLY A 30 0.223 9.118 4.284 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.652 6.247 4.697 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.056 7.283 4.860 1.00 10.00 H new ATOM 520 N PRO A 31 1.008 6.924 7.409 1.00 10.00 N ATOM 521 CA PRO A 31 1.780 5.658 7.290 1.00 10.00 C ATOM 522 C PRO A 31 0.846 4.419 7.170 1.00 10.00 C ATOM 523 O PRO A 31 -0.002 4.180 8.038 1.00 50.00 O ATOM 524 CB PRO A 31 2.597 5.647 8.610 1.00 50.00 C ATOM 525 CG PRO A 31 1.713 6.349 9.618 1.00 50.00 C ATOM 526 CD PRO A 31 0.864 7.349 8.832 1.00 50.00 C ATOM 0 HA PRO A 31 2.401 5.608 6.396 1.00 10.00 H new ATOM 0 HB2 PRO A 31 2.825 4.629 8.925 1.00 50.00 H new ATOM 0 HB3 PRO A 31 3.549 6.165 8.490 1.00 50.00 H new ATOM 0 HG2 PRO A 31 1.081 5.633 10.144 1.00 50.00 H new ATOM 0 HG3 PRO A 31 2.313 6.858 10.372 1.00 50.00 H new ATOM 0 HD2 PRO A 31 -0.178 7.322 9.151 1.00 50.00 H new ATOM 0 HD3 PRO A 31 1.216 8.370 8.979 1.00 50.00 H new ATOM 534 N TYR A 32 0.988 3.659 6.074 1.00 10.00 N ATOM 535 CA TYR A 32 0.225 2.406 5.840 1.00 10.00 C ATOM 536 C TYR A 32 1.142 1.194 6.017 1.00 10.00 C ATOM 537 O TYR A 32 2.355 1.358 6.170 1.00 50.00 O ATOM 538 CB TYR A 32 -0.441 2.438 4.444 1.00 50.00 C ATOM 539 CG TYR A 32 -1.625 3.416 4.363 1.00 50.00 C ATOM 540 CD1 TYR A 32 -2.917 3.022 4.736 1.00 50.00 C ATOM 541 CD2 TYR A 32 -1.451 4.730 3.932 1.00 50.00 C ATOM 542 CE1 TYR A 32 -3.975 3.910 4.702 1.00 50.00 C ATOM 543 CE2 TYR A 32 -2.507 5.618 3.890 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.766 5.203 4.268 1.00 50.00 C ATOM 545 OH TYR A 32 -4.812 6.100 4.247 1.00 50.00 O ATOM 0 H TYR A 32 1.634 3.889 5.319 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.574 2.322 6.577 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.304 2.716 3.699 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.787 1.436 4.190 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -3.089 2.005 5.056 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -0.470 5.060 3.625 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -4.960 3.594 5.013 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -2.347 6.635 3.562 1.00 50.00 H new ATOM 0 HH TYR A 32 -4.494 6.966 3.916 1.00 50.00 H new ATOM 555 N THR A 33 0.552 -0.023 6.038 1.00 10.00 N ATOM 556 CA THR A 33 1.280 -1.273 6.375 1.00 10.00 C ATOM 557 C THR A 33 0.660 -2.501 5.662 1.00 10.00 C ATOM 558 O THR A 33 -0.479 -2.848 5.951 1.00 50.00 O ATOM 559 CB THR A 33 1.262 -1.521 7.933 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.074 -1.340 8.425 1.00 50.00 O ATOM 561 CG2 THR A 33 2.216 -0.604 8.726 1.00 50.00 C ATOM 0 H THR A 33 -0.435 -0.168 5.824 1.00 10.00 H new ATOM 0 HA THR A 33 2.307 -1.150 6.033 1.00 10.00 H new ATOM 0 HB THR A 33 1.612 -2.542 8.085 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.059 -0.739 9.199 1.00 50.00 H new ATOM 0 HG21 THR A 33 2.145 -0.837 9.788 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.240 -0.764 8.387 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.938 0.437 8.563 1.00 50.00 H new ATOM 569 N VAL A 34 1.414 -3.161 4.750 1.00 10.00 N ATOM 570 CA VAL A 34 0.967 -4.403 4.077 1.00 10.00 C ATOM 571 C VAL A 34 0.846 -5.580 5.079 1.00 10.00 C ATOM 572 O VAL A 34 1.783 -5.857 5.846 1.00 50.00 O ATOM 573 CB VAL A 34 1.935 -4.828 2.903 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.499 -6.158 2.241 1.00 50.00 C ATOM 575 CG2 VAL A 34 2.050 -3.728 1.837 1.00 50.00 C ATOM 0 H VAL A 34 2.342 -2.850 4.462 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.014 -4.180 3.658 1.00 10.00 H new ATOM 0 HB VAL A 34 2.915 -4.979 3.356 1.00 50.00 H new ATOM 0 HG11 VAL A 34 2.194 -6.410 1.440 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.501 -6.953 2.987 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.495 -6.048 1.830 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.724 -4.057 1.046 1.00 50.00 H new ATOM 0 HG22 VAL A 34 1.066 -3.527 1.414 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.442 -2.819 2.293 1.00 50.00 H new ATOM 585 N LEU A 35 -0.332 -6.230 5.066 1.00 10.00 N ATOM 586 CA LEU A 35 -0.609 -7.473 5.812 1.00 10.00 C ATOM 587 C LEU A 35 -0.398 -8.710 4.902 1.00 10.00 C ATOM 588 O LEU A 35 0.119 -9.739 5.350 1.00 50.00 O ATOM 589 CB LEU A 35 -2.062 -7.435 6.358 1.00 50.00 C ATOM 590 CG LEU A 35 -2.409 -6.213 7.272 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.896 -6.222 7.669 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.495 -6.161 8.523 1.00 50.00 C ATOM 0 H LEU A 35 -1.133 -5.901 4.527 1.00 10.00 H new ATOM 0 HA LEU A 35 0.083 -7.551 6.650 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.749 -7.440 5.512 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.243 -8.350 6.921 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.223 -5.308 6.694 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.108 -5.362 8.304 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.513 -6.172 6.772 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -4.122 -7.139 8.213 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.764 -5.300 9.135 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.623 -7.074 9.105 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.455 -6.073 8.210 1.00 50.00 H new ATOM 604 N LEU A 36 -0.796 -8.586 3.619 1.00 10.00 N ATOM 605 CA LEU A 36 -0.689 -9.681 2.618 1.00 10.00 C ATOM 606 C LEU A 36 -0.375 -9.098 1.230 1.00 10.00 C ATOM 607 O LEU A 36 -0.779 -7.983 0.917 1.00 50.00 O ATOM 608 CB LEU A 36 -2.012 -10.507 2.549 1.00 50.00 C ATOM 609 CG LEU A 36 -2.135 -11.546 1.372 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.134 -12.712 1.536 1.00 50.00 C ATOM 611 CD2 LEU A 36 -3.578 -12.050 1.211 1.00 50.00 C ATOM 0 H LEU A 36 -1.200 -7.728 3.243 1.00 10.00 H new ATOM 0 HA LEU A 36 0.119 -10.344 2.927 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.128 -11.044 3.491 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -2.846 -9.809 2.475 1.00 50.00 H new ATOM 0 HG LEU A 36 -1.873 -11.026 0.451 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.248 -13.409 0.706 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.117 -12.320 1.544 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.330 -13.231 2.474 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -3.624 -12.765 0.390 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -3.899 -12.535 2.133 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.236 -11.208 0.996 1.00 50.00 H new ATOM 623 N THR A 37 0.349 -9.868 0.409 1.00 10.00 N ATOM 624 CA THR A 37 0.585 -9.555 -1.006 1.00 10.00 C ATOM 625 C THR A 37 -0.125 -10.596 -1.882 1.00 10.00 C ATOM 626 O THR A 37 0.008 -11.791 -1.639 1.00 50.00 O ATOM 627 CB THR A 37 2.113 -9.536 -1.325 1.00 50.00 C ATOM 628 OG1 THR A 37 2.728 -10.762 -0.887 1.00 50.00 O ATOM 629 CG2 THR A 37 2.793 -8.343 -0.649 1.00 50.00 C ATOM 0 H THR A 37 0.792 -10.735 0.711 1.00 10.00 H new ATOM 0 HA THR A 37 0.184 -8.564 -1.219 1.00 10.00 H new ATOM 0 HB THR A 37 2.235 -9.440 -2.404 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.050 -11.468 -0.835 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.857 -8.349 -0.885 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.347 -7.417 -1.011 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.660 -8.412 0.431 1.00 50.00 H new ATOM 637 N THR A 38 -0.891 -10.128 -2.868 1.00 10.00 N ATOM 638 CA THR A 38 -1.584 -10.975 -3.855 1.00 10.00 C ATOM 639 C THR A 38 -1.203 -10.453 -5.268 1.00 10.00 C ATOM 640 O THR A 38 -0.880 -9.260 -5.399 1.00 50.00 O ATOM 641 CB THR A 38 -3.136 -10.902 -3.581 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.410 -11.286 -2.216 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.991 -11.772 -4.520 1.00 50.00 C ATOM 0 H THR A 38 -1.054 -9.131 -3.011 1.00 10.00 H new ATOM 0 HA THR A 38 -1.290 -12.022 -3.783 1.00 10.00 H new ATOM 0 HB THR A 38 -3.418 -9.866 -3.772 1.00 50.00 H new ATOM 0 HG1 THR A 38 -4.351 -11.547 -2.132 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.044 -11.661 -4.261 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.836 -11.455 -5.551 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.699 -12.817 -4.414 1.00 50.00 H new ATOM 651 N PRO A 39 -1.124 -11.327 -6.338 1.00 10.00 N ATOM 652 CA PRO A 39 -0.896 -10.866 -7.737 1.00 10.00 C ATOM 653 C PRO A 39 -1.815 -9.682 -8.144 1.00 10.00 C ATOM 654 O PRO A 39 -3.046 -9.799 -8.091 1.00 50.00 O ATOM 655 CB PRO A 39 -1.155 -12.148 -8.603 1.00 50.00 C ATOM 656 CG PRO A 39 -1.709 -13.182 -7.650 1.00 50.00 C ATOM 657 CD PRO A 39 -1.165 -12.818 -6.281 1.00 50.00 C ATOM 0 HA PRO A 39 0.108 -10.464 -7.874 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.860 -11.940 -9.408 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.234 -12.499 -9.068 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -2.799 -13.172 -7.653 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -1.399 -14.186 -7.939 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -1.811 -13.176 -5.479 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.177 -13.245 -6.110 1.00 50.00 H new ATOM 665 N THR A 40 -1.161 -8.523 -8.456 1.00 10.00 N ATOM 666 CA THR A 40 -1.802 -7.277 -8.965 1.00 10.00 C ATOM 667 C THR A 40 -2.551 -6.484 -7.851 1.00 10.00 C ATOM 668 O THR A 40 -3.050 -5.374 -8.100 1.00 50.00 O ATOM 669 CB THR A 40 -2.750 -7.579 -10.198 1.00 50.00 C ATOM 670 OG1 THR A 40 -2.072 -8.477 -11.107 1.00 50.00 O ATOM 671 CG2 THR A 40 -3.178 -6.319 -10.978 1.00 50.00 C ATOM 0 H THR A 40 -0.150 -8.431 -8.357 1.00 10.00 H new ATOM 0 HA THR A 40 -0.994 -6.632 -9.311 1.00 10.00 H new ATOM 0 HB THR A 40 -3.657 -8.023 -9.789 1.00 50.00 H new ATOM 0 HG1 THR A 40 -2.654 -8.669 -11.872 1.00 50.00 H new ATOM 0 HG21 THR A 40 -3.825 -6.606 -11.807 1.00 50.00 H new ATOM 0 HG22 THR A 40 -3.718 -5.645 -10.313 1.00 50.00 H new ATOM 0 HG23 THR A 40 -2.294 -5.814 -11.367 1.00 50.00 H new ATOM 679 N ALA A 41 -2.578 -7.013 -6.613 1.00 10.00 N ATOM 680 CA ALA A 41 -3.369 -6.419 -5.520 1.00 10.00 C ATOM 681 C ALA A 41 -2.693 -6.677 -4.160 1.00 10.00 C ATOM 682 O ALA A 41 -2.479 -7.820 -3.782 1.00 50.00 O ATOM 683 CB ALA A 41 -4.795 -7.011 -5.563 1.00 50.00 C ATOM 0 H ALA A 41 -2.061 -7.851 -6.345 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.428 -5.338 -5.649 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.392 -6.580 -4.759 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -5.257 -6.779 -6.523 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.744 -8.093 -5.437 1.00 50.00 H new ATOM 689 N LEU A 42 -2.366 -5.609 -3.416 1.00 10.00 N ATOM 690 CA LEU A 42 -1.682 -5.718 -2.115 1.00 10.00 C ATOM 691 C LEU A 42 -2.660 -5.362 -0.985 1.00 10.00 C ATOM 692 O LEU A 42 -3.265 -4.284 -0.990 1.00 50.00 O ATOM 693 CB LEU A 42 -0.421 -4.806 -2.080 1.00 50.00 C ATOM 694 CG LEU A 42 0.598 -5.018 -3.250 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.862 -4.164 -3.068 1.00 50.00 C ATOM 696 CD2 LEU A 42 0.954 -6.509 -3.452 1.00 50.00 C ATOM 0 H LEU A 42 -2.567 -4.649 -3.696 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.347 -6.745 -1.971 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.746 -3.766 -2.089 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.098 -4.970 -1.136 1.00 50.00 H new ATOM 0 HG LEU A 42 0.100 -4.680 -4.159 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.543 -4.340 -3.901 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.588 -3.109 -3.041 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.353 -4.436 -2.134 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.663 -6.606 -4.274 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.400 -6.903 -2.539 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.049 -7.071 -3.686 1.00 50.00 H new ATOM 708 N LYS A 43 -2.802 -6.283 -0.023 1.00 10.00 N ATOM 709 CA LYS A 43 -3.691 -6.119 1.132 1.00 10.00 C ATOM 710 C LYS A 43 -2.960 -5.319 2.208 1.00 10.00 C ATOM 711 O LYS A 43 -1.986 -5.800 2.797 1.00 50.00 O ATOM 712 CB LYS A 43 -4.102 -7.505 1.680 1.00 50.00 C ATOM 713 CG LYS A 43 -4.973 -7.469 2.961 1.00 50.00 C ATOM 714 CD LYS A 43 -5.420 -8.873 3.414 1.00 50.00 C ATOM 715 CE LYS A 43 -6.238 -9.606 2.333 1.00 50.00 C ATOM 716 NZ LYS A 43 -7.434 -8.827 1.929 1.00 75.00 N ATOM 0 H LYS A 43 -2.298 -7.170 -0.026 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.593 -5.585 0.833 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.648 -8.040 0.902 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.199 -8.079 1.888 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -4.411 -6.994 3.765 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -5.853 -6.852 2.780 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -4.542 -9.467 3.666 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -6.018 -8.786 4.321 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -5.610 -9.787 1.461 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -6.548 -10.581 2.710 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.013 -9.394 1.277 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -7.994 -8.589 2.772 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.134 -7.952 1.454 1.00 75.00 H new ATOM 730 N VAL A 44 -3.433 -4.089 2.420 1.00 10.00 N ATOM 731 CA VAL A 44 -2.857 -3.120 3.360 1.00 10.00 C ATOM 732 C VAL A 44 -3.858 -2.870 4.517 1.00 10.00 C ATOM 733 O VAL A 44 -5.076 -2.920 4.304 1.00 50.00 O ATOM 734 CB VAL A 44 -2.535 -1.776 2.598 1.00 50.00 C ATOM 735 CG1 VAL A 44 -1.960 -0.710 3.544 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.571 -2.027 1.405 1.00 50.00 C ATOM 0 H VAL A 44 -4.251 -3.728 1.929 1.00 10.00 H new ATOM 0 HA VAL A 44 -1.930 -3.512 3.779 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.477 -1.395 2.204 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.751 0.200 2.982 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.683 -0.493 4.330 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.037 -1.080 3.991 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.366 -1.084 0.898 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.637 -2.450 1.775 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.033 -2.723 0.704 1.00 50.00 H new ATOM 746 N ASP A 45 -3.334 -2.632 5.732 1.00 10.00 N ATOM 747 CA ASP A 45 -4.132 -2.310 6.919 1.00 10.00 C ATOM 748 C ASP A 45 -4.718 -0.891 6.784 1.00 10.00 C ATOM 749 O ASP A 45 -3.987 0.072 6.511 1.00 50.00 O ATOM 750 CB ASP A 45 -3.253 -2.426 8.191 1.00 50.00 C ATOM 751 CG ASP A 45 -4.041 -2.287 9.514 1.00 50.00 C ATOM 752 OD1 ASP A 45 -4.616 -3.295 9.982 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.074 -1.178 10.092 1.00 50.00 O ATOM 0 H ASP A 45 -2.331 -2.659 5.915 1.00 10.00 H new ATOM 0 HA ASP A 45 -4.957 -3.017 7.006 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -2.745 -3.390 8.182 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.480 -1.658 8.158 1.00 50.00 H new ATOM 758 N GLY A 46 -6.043 -0.786 6.968 1.00 10.00 N ATOM 759 CA GLY A 46 -6.786 0.455 6.744 1.00 10.00 C ATOM 760 C GLY A 46 -7.542 0.449 5.430 1.00 10.00 C ATOM 761 O GLY A 46 -8.212 1.431 5.101 1.00 50.00 O ATOM 0 H GLY A 46 -6.627 -1.563 7.277 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.489 0.607 7.563 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.094 1.297 6.758 1.00 10.00 H new ATOM 765 N ILE A 47 -7.415 -0.652 4.665 1.00 10.00 N ATOM 766 CA ILE A 47 -8.054 -0.811 3.349 1.00 10.00 C ATOM 767 C ILE A 47 -9.116 -1.927 3.431 1.00 10.00 C ATOM 768 O ILE A 47 -8.950 -2.878 4.210 1.00 50.00 O ATOM 769 CB ILE A 47 -6.971 -1.152 2.255 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.848 -0.057 2.222 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.598 -1.356 0.851 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.319 1.366 1.951 1.00 50.00 C ATOM 0 H ILE A 47 -6.861 -1.461 4.947 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.540 0.122 3.064 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.516 -2.101 2.537 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.325 -0.071 3.178 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.121 -0.331 1.457 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.812 -1.589 0.132 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.312 -2.179 0.887 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.111 -0.444 0.546 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.462 2.039 1.950 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.813 1.407 0.980 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.020 1.672 2.728 1.00 50.00 H new ATOM 784 N ALA A 48 -10.191 -1.799 2.621 1.00 10.00 N ATOM 785 CA ALA A 48 -11.344 -2.717 2.624 1.00 10.00 C ATOM 786 C ALA A 48 -10.937 -4.177 2.338 1.00 10.00 C ATOM 787 O ALA A 48 -11.396 -5.094 3.033 1.00 50.00 O ATOM 788 CB ALA A 48 -12.397 -2.226 1.618 1.00 50.00 C ATOM 0 H ALA A 48 -10.280 -1.045 1.940 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.774 -2.712 3.626 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.249 -2.906 1.622 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.730 -1.226 1.898 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.961 -2.197 0.620 1.00 50.00 H new ATOM 794 N ALA A 49 -10.088 -4.388 1.311 1.00 10.00 N ATOM 795 CA ALA A 49 -9.503 -5.714 1.030 1.00 10.00 C ATOM 796 C ALA A 49 -8.116 -5.588 0.375 1.00 10.00 C ATOM 797 O ALA A 49 -7.127 -6.090 0.914 1.00 50.00 O ATOM 798 CB ALA A 49 -10.453 -6.541 0.142 1.00 50.00 C ATOM 0 H ALA A 49 -9.793 -3.657 0.663 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.373 -6.233 1.980 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.008 -7.516 -0.057 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.406 -6.674 0.654 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.618 -6.018 -0.800 1.00 50.00 H new ATOM 804 N TRP A 50 -8.047 -4.903 -0.779 1.00 10.00 N ATOM 805 CA TRP A 50 -6.792 -4.743 -1.557 1.00 10.00 C ATOM 806 C TRP A 50 -6.710 -3.348 -2.212 1.00 10.00 C ATOM 807 O TRP A 50 -7.735 -2.769 -2.595 1.00 50.00 O ATOM 808 CB TRP A 50 -6.678 -5.820 -2.676 1.00 50.00 C ATOM 809 CG TRP A 50 -6.458 -7.250 -2.206 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.282 -7.804 -1.785 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.423 -8.315 -2.173 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.464 -9.121 -1.456 1.00 50.00 N ATOM 813 CE2 TRP A 50 -6.763 -9.466 -1.696 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.777 -8.406 -2.503 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.412 -10.684 -1.520 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.423 -9.615 -2.333 1.00 50.00 C ATOM 817 CH2 TRP A 50 -8.739 -10.743 -1.851 1.00 50.00 C ATOM 0 H TRP A 50 -8.853 -4.444 -1.203 1.00 10.00 H new ATOM 0 HA TRP A 50 -5.971 -4.862 -0.850 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.589 -5.791 -3.274 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.855 -5.545 -3.335 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.341 -7.277 -1.721 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -4.744 -9.744 -1.090 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.309 -7.547 -2.884 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -6.890 -11.548 -1.137 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.473 -9.694 -2.575 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.271 -11.676 -1.739 1.00 50.00 H new ATOM 828 N ILE A 51 -5.477 -2.827 -2.329 1.00 10.00 N ATOM 829 CA ILE A 51 -5.135 -1.705 -3.229 1.00 10.00 C ATOM 830 C ILE A 51 -4.453 -2.289 -4.477 1.00 10.00 C ATOM 831 O ILE A 51 -3.648 -3.213 -4.356 1.00 50.00 O ATOM 832 CB ILE A 51 -4.185 -0.645 -2.529 1.00 50.00 C ATOM 833 CG1 ILE A 51 -4.944 0.098 -1.389 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.575 0.372 -3.536 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.137 0.932 -1.846 1.00 50.00 C ATOM 0 H ILE A 51 -4.679 -3.174 -1.797 1.00 10.00 H new ATOM 0 HA ILE A 51 -6.049 -1.175 -3.497 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.351 -1.201 -2.100 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.291 -0.638 -0.664 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.241 0.750 -0.870 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.934 1.073 -3.002 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.986 -0.163 -4.281 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.377 0.919 -4.032 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.599 1.410 -0.982 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.800 1.696 -2.546 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.866 0.287 -2.337 1.00 50.00 H new ATOM 847 N HIS A 52 -4.799 -1.758 -5.663 1.00 10.00 N ATOM 848 CA HIS A 52 -4.168 -2.144 -6.934 1.00 10.00 C ATOM 849 C HIS A 52 -2.656 -1.819 -6.828 1.00 10.00 C ATOM 850 O HIS A 52 -2.314 -0.658 -6.630 1.00 50.00 O ATOM 851 CB HIS A 52 -4.837 -1.357 -8.092 1.00 50.00 C ATOM 852 CG HIS A 52 -4.525 -1.849 -9.477 1.00 50.00 C ATOM 853 ND1 HIS A 52 -3.333 -1.624 -10.120 1.00 50.00 N ATOM 854 CD2 HIS A 52 -5.287 -2.555 -10.354 1.00 50.00 C ATOM 855 CE1 HIS A 52 -3.378 -2.171 -11.316 1.00 50.00 C ATOM 856 NE2 HIS A 52 -4.545 -2.736 -11.480 1.00 50.00 N ATOM 0 H HIS A 52 -5.525 -1.049 -5.765 1.00 10.00 H new ATOM 0 HA HIS A 52 -4.293 -3.208 -7.136 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.917 -1.386 -7.950 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.534 -0.312 -8.020 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -6.294 -2.907 -10.188 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -2.580 -2.156 -12.044 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -4.850 -3.233 -12.317 1.00 50.00 H new ATOM 865 N ALA A 53 -1.791 -2.858 -6.958 1.00 10.00 N ATOM 866 CA ALA A 53 -0.348 -2.836 -6.561 1.00 10.00 C ATOM 867 C ALA A 53 0.464 -1.675 -7.162 1.00 10.00 C ATOM 868 O ALA A 53 1.444 -1.228 -6.556 1.00 50.00 O ATOM 869 CB ALA A 53 0.305 -4.200 -6.891 1.00 50.00 C ATOM 0 H ALA A 53 -2.077 -3.755 -7.349 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.330 -2.661 -5.485 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.355 -4.180 -6.601 1.00 50.00 H new ATOM 0 HB2 ALA A 53 -0.208 -4.991 -6.344 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.228 -4.391 -7.961 1.00 50.00 H new ATOM 875 N ALA A 54 0.031 -1.180 -8.332 1.00 10.00 N ATOM 876 CA ALA A 54 0.660 -0.029 -9.014 1.00 10.00 C ATOM 877 C ALA A 54 0.418 1.324 -8.283 1.00 10.00 C ATOM 878 O ALA A 54 0.923 2.364 -8.714 1.00 50.00 O ATOM 879 CB ALA A 54 0.161 0.023 -10.462 1.00 50.00 C ATOM 0 H ALA A 54 -0.767 -1.565 -8.836 1.00 10.00 H new ATOM 0 HA ALA A 54 1.740 -0.177 -8.997 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.619 0.869 -10.975 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.431 -0.901 -10.973 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.923 0.138 -10.469 1.00 50.00 H new ATOM 885 N HIS A 55 -0.360 1.295 -7.184 1.00 10.00 N ATOM 886 CA HIS A 55 -0.652 2.469 -6.332 1.00 10.00 C ATOM 887 C HIS A 55 -0.074 2.271 -4.919 1.00 10.00 C ATOM 888 O HIS A 55 -0.486 2.955 -3.982 1.00 50.00 O ATOM 889 CB HIS A 55 -2.190 2.694 -6.224 1.00 50.00 C ATOM 890 CG HIS A 55 -2.860 3.105 -7.498 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.766 4.375 -8.017 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.651 2.415 -8.348 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.465 4.444 -9.129 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.011 3.272 -9.350 1.00 50.00 N ATOM 0 H HIS A 55 -0.812 0.442 -6.856 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.188 3.341 -6.793 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.653 1.773 -5.868 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.378 3.458 -5.469 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.237 5.143 -7.604 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.944 1.380 -8.254 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -3.571 5.318 -9.754 1.00 50.00 H new ATOM 903 N VAL A 56 0.865 1.323 -4.755 1.00 10.00 N ATOM 904 CA VAL A 56 1.533 1.074 -3.458 1.00 10.00 C ATOM 905 C VAL A 56 3.038 1.359 -3.602 1.00 10.00 C ATOM 906 O VAL A 56 3.666 0.923 -4.572 1.00 50.00 O ATOM 907 CB VAL A 56 1.312 -0.402 -2.947 1.00 50.00 C ATOM 908 CG1 VAL A 56 1.922 -0.613 -1.536 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.188 -0.781 -2.946 1.00 50.00 C ATOM 0 H VAL A 56 1.182 0.711 -5.507 1.00 10.00 H new ATOM 0 HA VAL A 56 1.090 1.741 -2.718 1.00 10.00 H new ATOM 0 HB VAL A 56 1.830 -1.061 -3.643 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.751 -1.641 -1.216 1.00 50.00 H new ATOM 0 HG12 VAL A 56 2.994 -0.417 -1.570 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.450 0.070 -0.830 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.305 -1.804 -2.589 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.734 -0.103 -2.290 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.584 -0.703 -3.959 1.00 50.00 H new ATOM 919 N LYS A 57 3.600 2.095 -2.637 1.00 10.00 N ATOM 920 CA LYS A 57 5.024 2.450 -2.600 1.00 10.00 C ATOM 921 C LYS A 57 5.645 1.925 -1.298 1.00 10.00 C ATOM 922 O LYS A 57 5.189 2.289 -0.214 1.00 50.00 O ATOM 923 CB LYS A 57 5.183 3.993 -2.697 1.00 50.00 C ATOM 924 CG LYS A 57 6.650 4.491 -2.626 1.00 50.00 C ATOM 925 CD LYS A 57 6.790 6.024 -2.780 1.00 50.00 C ATOM 926 CE LYS A 57 8.256 6.497 -2.655 1.00 50.00 C ATOM 927 NZ LYS A 57 9.125 5.931 -3.724 1.00 75.00 N ATOM 0 H LYS A 57 3.071 2.467 -1.848 1.00 10.00 H new ATOM 0 HA LYS A 57 5.539 1.995 -3.446 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.741 4.333 -3.634 1.00 50.00 H new ATOM 0 HB3 LYS A 57 4.615 4.456 -1.890 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.082 4.189 -1.672 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.230 4.001 -3.408 1.00 50.00 H new ATOM 0 HD2 LYS A 57 6.395 6.327 -3.750 1.00 50.00 H new ATOM 0 HD3 LYS A 57 6.185 6.520 -2.021 1.00 50.00 H new ATOM 0 HE2 LYS A 57 8.290 7.586 -2.701 1.00 50.00 H new ATOM 0 HE3 LYS A 57 8.647 6.207 -1.680 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 10.078 6.341 -3.650 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 9.183 4.899 -3.614 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 8.722 6.157 -4.655 1.00 75.00 H new ATOM 941 N ALA A 58 6.672 1.070 -1.413 1.00 10.00 N ATOM 942 CA ALA A 58 7.391 0.509 -0.256 1.00 10.00 C ATOM 943 C ALA A 58 8.119 1.624 0.528 1.00 10.00 C ATOM 944 O ALA A 58 8.987 2.308 -0.023 1.00 50.00 O ATOM 945 CB ALA A 58 8.384 -0.562 -0.737 1.00 50.00 C ATOM 0 H ALA A 58 7.029 0.747 -2.312 1.00 10.00 H new ATOM 0 HA ALA A 58 6.672 0.045 0.419 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.915 -0.976 0.120 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.842 -1.358 -1.247 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.100 -0.112 -1.425 1.00 50.00 H new ATOM 951 N ALA A 59 7.739 1.814 1.805 1.00 10.00 N ATOM 952 CA ALA A 59 8.335 2.836 2.694 1.00 10.00 C ATOM 953 C ALA A 59 9.371 2.181 3.623 1.00 10.00 C ATOM 954 O ALA A 59 9.434 0.947 3.719 1.00 50.00 O ATOM 955 CB ALA A 59 7.231 3.553 3.486 1.00 50.00 C ATOM 0 H ALA A 59 7.008 1.262 2.254 1.00 10.00 H new ATOM 0 HA ALA A 59 8.852 3.586 2.095 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.679 4.303 4.137 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.543 4.038 2.794 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.686 2.827 4.090 1.00 50.00 H new ATOM 961 N ASP A 60 10.194 3.015 4.287 1.00 10.00 N ATOM 962 CA ASP A 60 11.268 2.553 5.184 1.00 10.00 C ATOM 963 C ASP A 60 10.663 2.031 6.519 1.00 50.00 C ATOM 964 O ASP A 60 10.014 2.799 7.246 1.00 50.00 O ATOM 965 CB ASP A 60 12.285 3.713 5.435 1.00 50.00 C ATOM 966 CG ASP A 60 13.606 3.308 6.143 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.747 2.162 6.633 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.531 4.148 6.201 1.00 75.00 O ATOM 0 H ASP A 60 10.132 4.031 4.216 1.00 10.00 H new ATOM 0 HA ASP A 60 11.803 1.728 4.714 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.533 4.168 4.476 1.00 50.00 H new ATOM 0 HB3 ASP A 60 11.793 4.479 6.034 1.00 50.00 H new ATOM 973 N PRO A 61 10.839 0.697 6.847 1.00 50.00 N ATOM 974 CA PRO A 61 10.391 0.108 8.147 1.00 50.00 C ATOM 975 C PRO A 61 11.167 0.625 9.384 1.00 50.00 C ATOM 976 O PRO A 61 10.963 0.119 10.500 1.00 75.00 O ATOM 977 CB PRO A 61 10.584 -1.425 7.948 1.00 75.00 C ATOM 978 CG PRO A 61 10.713 -1.611 6.459 1.00 75.00 C ATOM 979 CD PRO A 61 11.410 -0.366 5.965 1.00 50.00 C ATOM 0 HA PRO A 61 9.362 0.393 8.368 1.00 50.00 H new ATOM 0 HB2 PRO A 61 11.472 -1.782 8.469 1.00 75.00 H new ATOM 0 HB3 PRO A 61 9.736 -1.984 8.344 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.289 -2.505 6.222 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.736 -1.728 5.990 1.00 75.00 H new ATOM 0 HD2 PRO A 61 12.493 -0.440 6.067 1.00 50.00 H new ATOM 0 HD3 PRO A 61 11.201 -0.175 4.912 1.00 50.00 H new ATOM 987 N GLY A 62 12.090 1.588 9.165 1.00 50.00 N ATOM 988 CA GLY A 62 12.760 2.323 10.238 1.00 50.00 C ATOM 989 C GLY A 62 11.762 3.087 11.110 1.00 75.00 C ATOM 990 O GLY A 62 11.386 4.223 10.802 1.00 75.00 O ATOM 0 H GLY A 62 12.386 1.872 8.231 1.00 50.00 H new ATOM 0 HA2 GLY A 62 13.326 1.627 10.857 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.477 3.022 9.808 1.00 50.00 H new ATOM 994 N GLY A 63 11.337 2.426 12.193 1.00 75.00 N ATOM 995 CA GLY A 63 10.227 2.864 13.045 1.00 75.00 C ATOM 996 C GLY A 63 9.122 1.817 13.015 1.00 75.00 C ATOM 997 O GLY A 63 8.825 1.183 14.036 1.00 75.00 O ATOM 0 H GLY A 63 11.764 1.555 12.507 1.00 75.00 H new ATOM 0 HA2 GLY A 63 10.575 3.012 14.067 1.00 75.00 H new ATOM 0 HA3 GLY A 63 9.844 3.823 12.697 1.00 75.00 H new ATOM 1001 N GLY A 64 8.535 1.623 11.812 1.00 75.00 N ATOM 1002 CA GLY A 64 7.548 0.564 11.566 1.00 75.00 C ATOM 1003 C GLY A 64 6.173 0.850 12.178 1.00 75.00 C ATOM 1004 O GLY A 64 5.885 2.002 12.529 1.00 75.00 O ATOM 0 H GLY A 64 8.735 2.197 10.993 1.00 75.00 H new ATOM 0 HA2 GLY A 64 7.436 0.427 10.491 1.00 75.00 H new ATOM 0 HA3 GLY A 64 7.927 -0.375 11.969 1.00 75.00 H new ATOM 1008 N PRO A 65 5.276 -0.181 12.290 1.00 75.00 N ATOM 1009 CA PRO A 65 3.970 -0.027 12.959 1.00 75.00 C ATOM 1010 C PRO A 65 4.107 -0.028 14.506 1.00 75.00 C ATOM 1011 O PRO A 65 4.464 -1.047 15.115 1.00 75.00 O ATOM 1012 CB PRO A 65 3.161 -1.244 12.441 1.00 75.00 C ATOM 1013 CG PRO A 65 4.198 -2.304 12.178 1.00 75.00 C ATOM 1014 CD PRO A 65 5.461 -1.563 11.747 1.00 75.00 C ATOM 0 HA PRO A 65 3.487 0.924 12.736 1.00 75.00 H new ATOM 0 HB2 PRO A 65 2.431 -1.578 13.178 1.00 75.00 H new ATOM 0 HB3 PRO A 65 2.608 -0.996 11.535 1.00 75.00 H new ATOM 0 HG2 PRO A 65 4.382 -2.900 13.072 1.00 75.00 H new ATOM 0 HG3 PRO A 65 3.865 -2.991 11.400 1.00 75.00 H new ATOM 0 HD2 PRO A 65 6.357 -2.034 12.152 1.00 75.00 H new ATOM 0 HD3 PRO A 65 5.568 -1.554 10.662 1.00 75.00 H new ATOM 1022 N SER A 66 3.840 1.139 15.123 1.00 75.00 N ATOM 1023 CA SER A 66 3.778 1.292 16.592 1.00 75.00 C ATOM 1024 C SER A 66 2.523 0.589 17.161 1.00 75.00 C ATOM 1025 O SER A 66 2.452 0.283 18.357 1.00 75.00 O ATOM 1026 CB SER A 66 3.769 2.797 16.955 1.00 75.00 C ATOM 1027 OG SER A 66 4.924 3.454 16.456 1.00 75.00 O ATOM 0 H SER A 66 3.660 2.006 14.616 1.00 75.00 H new ATOM 0 HA SER A 66 4.656 0.823 17.035 1.00 75.00 H new ATOM 0 HB2 SER A 66 2.875 3.267 16.545 1.00 75.00 H new ATOM 0 HB3 SER A 66 3.722 2.912 18.038 1.00 75.00 H new ATOM 0 HG SER A 66 4.891 4.403 16.698 1.00 75.00 H new ATOM 1033 N SER A 67 1.544 0.342 16.280 1.00 75.00 N ATOM 1034 CA SER A 67 0.297 -0.354 16.603 1.00 75.00 C ATOM 1035 C SER A 67 0.450 -1.869 16.347 1.00 75.00 C ATOM 1036 O SER A 67 0.985 -2.270 15.302 1.00 75.00 O ATOM 1037 CB SER A 67 -0.837 0.232 15.729 1.00 75.00 C ATOM 1038 OG SER A 67 -0.917 1.640 15.879 1.00 75.00 O ATOM 0 H SER A 67 1.601 0.628 15.303 1.00 75.00 H new ATOM 0 HA SER A 67 0.056 -0.213 17.657 1.00 75.00 H new ATOM 0 HB2 SER A 67 -0.660 -0.017 14.683 1.00 75.00 H new ATOM 0 HB3 SER A 67 -1.788 -0.222 16.008 1.00 75.00 H new ATOM 0 HG SER A 67 -1.639 1.988 15.316 1.00 75.00 H new ATOM 1044 N ARG A 68 0.000 -2.698 17.319 1.00 75.00 N ATOM 1045 CA ARG A 68 -0.087 -4.162 17.156 1.00 75.00 C ATOM 1046 C ARG A 68 -1.281 -4.495 16.242 1.00 75.00 C ATOM 1047 O ARG A 68 -2.440 -4.420 16.666 1.00 75.00 O ATOM 1048 CB ARG A 68 -0.222 -4.882 18.531 1.00 75.00 C ATOM 1049 CG ARG A 68 1.055 -4.841 19.411 1.00 75.00 C ATOM 1050 CD ARG A 68 0.879 -5.598 20.743 1.00 75.00 C ATOM 1051 NE ARG A 68 0.558 -7.040 20.544 1.00 75.00 N ATOM 1052 CZ ARG A 68 -0.309 -7.761 21.279 1.00 75.00 C ATOM 1053 NH1 ARG A 68 -0.984 -7.212 22.288 1.00 75.00 N ATOM 1054 NH2 ARG A 68 -0.481 -9.046 20.995 1.00 75.00 N ATOM 0 H ARG A 68 -0.311 -2.369 18.233 1.00 75.00 H new ATOM 0 HA ARG A 68 0.834 -4.522 16.698 1.00 75.00 H new ATOM 0 HB2 ARG A 68 -1.043 -4.428 19.085 1.00 75.00 H new ATOM 0 HB3 ARG A 68 -0.493 -5.923 18.356 1.00 75.00 H new ATOM 0 HG2 ARG A 68 1.888 -5.275 18.858 1.00 75.00 H new ATOM 0 HG3 ARG A 68 1.316 -3.803 19.618 1.00 75.00 H new ATOM 0 HD2 ARG A 68 1.793 -5.511 21.330 1.00 75.00 H new ATOM 0 HD3 ARG A 68 0.083 -5.129 21.321 1.00 75.00 H new ATOM 0 HE ARG A 68 1.037 -7.523 19.784 1.00 75.00 H new ATOM 0 HH11 ARG A 68 -0.849 -6.227 22.516 1.00 75.00 H new ATOM 0 HH12 ARG A 68 -1.636 -7.777 22.832 1.00 75.00 H new ATOM 0 HH21 ARG A 68 0.040 -9.473 20.229 1.00 75.00 H new ATOM 0 HH22 ARG A 68 -1.134 -9.606 21.542 1.00 75.00 H new ATOM 1068 N LEU A 69 -0.974 -4.824 14.977 1.00 75.00 N ATOM 1069 CA LEU A 69 -1.977 -5.109 13.927 1.00 75.00 C ATOM 1070 C LEU A 69 -2.458 -6.575 14.001 1.00 75.00 C ATOM 1071 O LEU A 69 -2.171 -7.283 14.977 1.00 75.00 O ATOM 1072 CB LEU A 69 -1.347 -4.800 12.542 1.00 75.00 C ATOM 1073 CG LEU A 69 -0.740 -3.372 12.387 1.00 75.00 C ATOM 1074 CD1 LEU A 69 -0.110 -3.191 11.004 1.00 75.00 C ATOM 1075 CD2 LEU A 69 -1.784 -2.269 12.671 1.00 75.00 C ATOM 0 H LEU A 69 -0.012 -4.902 14.646 1.00 75.00 H new ATOM 0 HA LEU A 69 -2.852 -4.477 14.080 1.00 75.00 H new ATOM 0 HB2 LEU A 69 -0.564 -5.532 12.346 1.00 75.00 H new ATOM 0 HB3 LEU A 69 -2.110 -4.937 11.776 1.00 75.00 H new ATOM 0 HG LEU A 69 0.047 -3.271 13.134 1.00 75.00 H new ATOM 0 HD11 LEU A 69 0.306 -2.187 10.922 1.00 75.00 H new ATOM 0 HD12 LEU A 69 0.684 -3.925 10.867 1.00 75.00 H new ATOM 0 HD13 LEU A 69 -0.871 -3.332 10.236 1.00 75.00 H new ATOM 0 HD21 LEU A 69 -1.320 -1.290 12.552 1.00 75.00 H new ATOM 0 HD22 LEU A 69 -2.614 -2.365 11.971 1.00 75.00 H new ATOM 0 HD23 LEU A 69 -2.155 -2.373 13.691 1.00 75.00 H new ATOM 1087 N THR A 70 -3.214 -7.013 12.973 1.00 75.00 N ATOM 1088 CA THR A 70 -3.607 -8.418 12.814 1.00 75.00 C ATOM 1089 C THR A 70 -2.351 -9.284 12.583 1.00 75.00 C ATOM 1090 O THR A 70 -1.794 -9.314 11.474 1.00 75.00 O ATOM 1091 CB THR A 70 -4.637 -8.570 11.645 1.00 75.00 C ATOM 1092 OG1 THR A 70 -4.174 -7.842 10.494 1.00 75.00 O ATOM 1093 CG2 THR A 70 -6.028 -8.050 12.045 1.00 75.00 C ATOM 0 H THR A 70 -3.565 -6.402 12.236 1.00 75.00 H new ATOM 0 HA THR A 70 -4.097 -8.763 13.725 1.00 75.00 H new ATOM 0 HB THR A 70 -4.722 -9.631 11.412 1.00 75.00 H new ATOM 0 HG1 THR A 70 -3.218 -8.013 10.362 1.00 75.00 H new ATOM 0 HG21 THR A 70 -6.716 -8.172 11.209 1.00 75.00 H new ATOM 0 HG22 THR A 70 -6.395 -8.615 12.902 1.00 75.00 H new ATOM 0 HG23 THR A 70 -5.960 -6.994 12.308 1.00 75.00 H new ATOM 1101 N TRP A 71 -1.881 -9.926 13.674 1.00 75.00 N ATOM 1102 CA TRP A 71 -0.612 -10.660 13.696 1.00 75.00 C ATOM 1103 C TRP A 71 -0.739 -11.978 12.922 1.00 75.00 C ATOM 1104 O TRP A 71 -1.486 -12.879 13.330 1.00 75.00 O ATOM 1105 CB TRP A 71 -0.154 -10.919 15.157 1.00 75.00 C ATOM 1106 CG TRP A 71 1.233 -11.534 15.270 1.00 75.00 C ATOM 1107 CD1 TRP A 71 1.566 -12.773 15.758 1.00 75.00 C ATOM 1108 CD2 TRP A 71 2.469 -10.918 14.880 1.00 75.00 C ATOM 1109 NE1 TRP A 71 2.925 -12.964 15.673 1.00 75.00 N ATOM 1110 CE2 TRP A 71 3.500 -11.838 15.142 1.00 75.00 C ATOM 1111 CE3 TRP A 71 2.797 -9.675 14.330 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 4.834 -11.555 14.866 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 4.120 -9.393 14.060 1.00 75.00 C ATOM 1114 CH2 TRP A 71 5.126 -10.330 14.329 1.00 75.00 C ATOM 0 H TRP A 71 -2.378 -9.946 14.564 1.00 75.00 H new ATOM 0 HA TRP A 71 0.147 -10.050 13.207 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -0.168 -9.976 15.704 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -0.874 -11.579 15.641 1.00 75.00 H new ATOM 0 HD1 TRP A 71 0.863 -13.493 16.151 1.00 75.00 H new ATOM 0 HE1 TRP A 71 3.424 -13.806 15.959 1.00 75.00 H new ATOM 0 HE3 TRP A 71 2.027 -8.947 14.120 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 5.612 -12.276 15.068 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 4.384 -8.436 13.635 1.00 75.00 H new ATOM 0 HH2 TRP A 71 6.153 -10.081 14.108 1.00 75.00 H new ATOM 1125 N ARG A 72 0.013 -12.050 11.814 1.00 75.00 N ATOM 1126 CA ARG A 72 0.058 -13.195 10.897 1.00 75.00 C ATOM 1127 C ARG A 72 -1.337 -13.549 10.354 1.00 75.00 C ATOM 1128 O ARG A 72 -2.009 -14.455 10.852 1.00 75.00 O ATOM 1129 CB ARG A 72 0.761 -14.428 11.538 1.00 75.00 C ATOM 1130 CG ARG A 72 2.176 -14.137 12.102 1.00 75.00 C ATOM 1131 CD ARG A 72 2.872 -15.398 12.635 1.00 75.00 C ATOM 1132 NE ARG A 72 4.085 -15.107 13.423 1.00 75.00 N ATOM 1133 CZ ARG A 72 4.630 -15.948 14.321 1.00 75.00 C ATOM 1134 NH1 ARG A 72 4.080 -17.146 14.561 1.00 75.00 N ATOM 1135 NH2 ARG A 72 5.718 -15.567 14.985 1.00 75.00 N ATOM 0 H ARG A 72 0.626 -11.288 11.524 1.00 75.00 H new ATOM 0 HA ARG A 72 0.665 -12.893 10.044 1.00 75.00 H new ATOM 0 HB2 ARG A 72 0.134 -14.811 12.343 1.00 75.00 H new ATOM 0 HB3 ARG A 72 0.836 -15.217 10.790 1.00 75.00 H new ATOM 0 HG2 ARG A 72 2.790 -13.691 11.319 1.00 75.00 H new ATOM 0 HG3 ARG A 72 2.099 -13.403 12.904 1.00 75.00 H new ATOM 0 HD2 ARG A 72 2.171 -15.957 13.254 1.00 75.00 H new ATOM 0 HD3 ARG A 72 3.138 -16.040 11.795 1.00 75.00 H new ATOM 0 HE ARG A 72 4.542 -14.207 13.277 1.00 75.00 H new ATOM 0 HH11 ARG A 72 3.238 -17.430 14.060 1.00 75.00 H new ATOM 0 HH12 ARG A 72 4.503 -17.774 15.244 1.00 75.00 H new ATOM 0 HH21 ARG A 72 6.127 -14.649 14.810 1.00 75.00 H new ATOM 0 HH22 ARG A 72 6.143 -16.193 15.669 1.00 75.00 H new ATOM 1149 N VAL A 73 -1.789 -12.749 9.380 1.00 75.00 N ATOM 1150 CA VAL A 73 -2.969 -13.069 8.555 1.00 75.00 C ATOM 1151 C VAL A 73 -2.650 -14.321 7.711 1.00 75.00 C ATOM 1152 O VAL A 73 -3.466 -15.237 7.560 1.00 75.00 O ATOM 1153 CB VAL A 73 -3.338 -11.859 7.618 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -4.600 -12.151 6.774 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -3.512 -10.558 8.431 1.00 50.00 C ATOM 0 H VAL A 73 -1.349 -11.861 9.139 1.00 75.00 H new ATOM 0 HA VAL A 73 -3.825 -13.262 9.201 1.00 75.00 H new ATOM 0 HB VAL A 73 -2.506 -11.721 6.928 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -4.821 -11.292 6.141 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -4.425 -13.027 6.149 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -5.445 -12.341 7.436 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.766 -9.739 7.758 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -4.311 -10.689 9.161 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.582 -10.326 8.949 1.00 50.00 H new ATOM 1165 N GLN A 74 -1.415 -14.331 7.194 1.00 75.00 N ATOM 1166 CA GLN A 74 -0.832 -15.461 6.469 1.00 75.00 C ATOM 1167 C GLN A 74 0.085 -16.260 7.423 1.00 75.00 C ATOM 1168 O GLN A 74 1.038 -15.713 7.989 1.00 75.00 O ATOM 1169 CB GLN A 74 -0.064 -14.943 5.213 1.00 75.00 C ATOM 1170 CG GLN A 74 0.891 -13.743 5.483 1.00 75.00 C ATOM 1171 CD GLN A 74 1.521 -13.134 4.227 1.00 75.00 C ATOM 1172 OE1 GLN A 74 1.772 -13.821 3.240 1.00 75.00 O ATOM 1173 NE2 GLN A 74 1.784 -11.835 4.253 1.00 75.00 N ATOM 0 H GLN A 74 -0.782 -13.535 7.271 1.00 75.00 H new ATOM 0 HA GLN A 74 -1.616 -16.131 6.118 1.00 75.00 H new ATOM 0 HB2 GLN A 74 0.517 -15.765 4.795 1.00 75.00 H new ATOM 0 HB3 GLN A 74 -0.790 -14.648 4.456 1.00 75.00 H new ATOM 0 HG2 GLN A 74 0.337 -12.966 6.009 1.00 75.00 H new ATOM 0 HG3 GLN A 74 1.688 -14.073 6.150 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.566 -11.287 5.085 1.00 75.00 H new ATOM 0 HE22 GLN A 74 2.205 -11.383 3.441 1.00 75.00 H new ATOM 1182 N ARG A 75 -0.261 -17.536 7.655 1.00 75.00 N ATOM 1183 CA ARG A 75 0.568 -18.492 8.429 1.00 75.00 C ATOM 1184 C ARG A 75 1.187 -19.508 7.449 1.00 75.00 C ATOM 1185 O ARG A 75 1.017 -19.372 6.236 1.00 75.00 O ATOM 1186 CB ARG A 75 -0.275 -19.245 9.508 1.00 75.00 C ATOM 1187 CG ARG A 75 -0.888 -18.388 10.642 1.00 75.00 C ATOM 1188 CD ARG A 75 -2.097 -17.549 10.198 1.00 75.00 C ATOM 1189 NE ARG A 75 -3.203 -18.380 9.681 1.00 75.00 N ATOM 1190 CZ ARG A 75 -4.507 -18.066 9.764 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -4.904 -16.932 10.341 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -5.416 -18.894 9.262 1.00 75.00 N ATOM 0 H ARG A 75 -1.130 -17.943 7.310 1.00 75.00 H new ATOM 0 HA ARG A 75 1.347 -17.937 8.951 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -1.086 -19.767 9.001 1.00 75.00 H new ATOM 0 HB3 ARG A 75 0.359 -20.006 9.963 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -1.192 -19.044 11.457 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -0.121 -17.723 11.038 1.00 75.00 H new ATOM 0 HD2 ARG A 75 -2.454 -16.958 11.041 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -1.784 -16.846 9.426 1.00 75.00 H new ATOM 0 HE ARG A 75 -2.958 -19.260 9.226 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -4.214 -16.288 10.728 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -5.898 -16.708 10.396 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -5.123 -19.763 8.816 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -6.407 -18.661 9.322 1.00 75.00 H new ATOM 1206 N SER A 76 1.900 -20.524 7.980 1.00 75.00 N ATOM 1207 CA SER A 76 2.472 -21.630 7.168 1.00 75.00 C ATOM 1208 C SER A 76 1.337 -22.492 6.531 1.00 75.00 C ATOM 1209 O SER A 76 0.150 -22.234 6.788 1.00 75.00 O ATOM 1210 CB SER A 76 3.390 -22.493 8.069 1.00 75.00 C ATOM 1211 OG SER A 76 4.106 -23.455 7.319 1.00 75.00 O ATOM 0 H SER A 76 2.097 -20.605 8.978 1.00 75.00 H new ATOM 0 HA SER A 76 3.062 -21.215 6.350 1.00 75.00 H new ATOM 0 HB2 SER A 76 4.092 -21.848 8.597 1.00 75.00 H new ATOM 0 HB3 SER A 76 2.788 -22.996 8.826 1.00 75.00 H new ATOM 0 HG SER A 76 4.676 -23.980 7.919 1.00 75.00 H new ATOM 1217 N GLN A 77 1.713 -23.504 5.706 1.00 75.00 N ATOM 1218 CA GLN A 77 0.755 -24.366 4.959 1.00 75.00 C ATOM 1219 C GLN A 77 -0.049 -23.450 3.997 1.00 75.00 C ATOM 1220 O GLN A 77 -1.159 -23.017 4.349 1.00 75.00 O ATOM 1221 CB GLN A 77 -0.159 -25.178 5.953 1.00 75.00 C ATOM 1222 CG GLN A 77 -0.849 -26.453 5.413 1.00 75.00 C ATOM 1223 CD GLN A 77 -1.784 -26.227 4.221 1.00 75.00 C ATOM 1224 OE1 GLN A 77 -1.394 -26.379 3.062 1.00 75.00 O ATOM 1225 NE2 GLN A 77 -3.011 -25.817 4.484 1.00 75.00 N ATOM 0 H GLN A 77 2.690 -23.747 5.539 1.00 75.00 H new ATOM 0 HA GLN A 77 1.278 -25.118 4.369 1.00 75.00 H new ATOM 0 HB2 GLN A 77 0.449 -25.463 6.812 1.00 75.00 H new ATOM 0 HB3 GLN A 77 -0.935 -24.506 6.321 1.00 75.00 H new ATOM 0 HG2 GLN A 77 -0.080 -27.169 5.122 1.00 75.00 H new ATOM 0 HG3 GLN A 77 -1.420 -26.910 6.222 1.00 75.00 H new ATOM 0 HE21 GLN A 77 -3.313 -25.698 5.451 1.00 75.00 H new ATOM 0 HE22 GLN A 77 -3.657 -25.619 3.720 1.00 75.00 H new ATOM 1234 N ASN A 78 0.570 -23.160 2.811 1.00 75.00 N ATOM 1235 CA ASN A 78 0.193 -22.078 1.849 1.00 75.00 C ATOM 1236 C ASN A 78 -1.333 -21.784 1.809 1.00 75.00 C ATOM 1237 O ASN A 78 -2.076 -22.470 1.097 1.00 75.00 O ATOM 1238 CB ASN A 78 0.737 -22.430 0.424 1.00 75.00 C ATOM 1239 CG ASN A 78 0.391 -21.386 -0.659 1.00 75.00 C ATOM 1240 OD1 ASN A 78 -0.617 -21.493 -1.356 1.00 75.00 O ATOM 1241 ND2 ASN A 78 1.191 -20.352 -0.783 1.00 75.00 N ATOM 0 H ASN A 78 1.376 -23.695 2.488 1.00 75.00 H new ATOM 0 HA ASN A 78 0.656 -21.158 2.204 1.00 75.00 H new ATOM 0 HB2 ASN A 78 1.820 -22.537 0.477 1.00 75.00 H new ATOM 0 HB3 ASN A 78 0.335 -23.397 0.122 1.00 75.00 H new ATOM 0 HD21 ASN A 78 0.980 -19.623 -1.465 1.00 75.00 H new ATOM 0 HD22 ASN A 78 2.023 -20.278 -0.198 1.00 75.00 H new ATOM 1248 N PRO A 79 -1.828 -20.772 2.613 1.00 75.00 N ATOM 1249 CA PRO A 79 -3.262 -20.400 2.656 1.00 75.00 C ATOM 1250 C PRO A 79 -3.642 -19.296 1.640 1.00 75.00 C ATOM 1251 O PRO A 79 -4.815 -19.138 1.290 1.00 75.00 O ATOM 1252 CB PRO A 79 -3.394 -19.895 4.112 1.00 75.00 C ATOM 1253 CG PRO A 79 -2.091 -19.180 4.382 1.00 75.00 C ATOM 1254 CD PRO A 79 -1.030 -19.927 3.572 1.00 75.00 C ATOM 0 HA PRO A 79 -3.926 -21.222 2.389 1.00 75.00 H new ATOM 0 HB2 PRO A 79 -4.246 -19.224 4.224 1.00 75.00 H new ATOM 0 HB3 PRO A 79 -3.545 -20.721 4.807 1.00 75.00 H new ATOM 0 HG2 PRO A 79 -2.149 -18.134 4.080 1.00 75.00 H new ATOM 0 HG3 PRO A 79 -1.851 -19.192 5.445 1.00 75.00 H new ATOM 0 HD2 PRO A 79 -0.373 -19.237 3.043 1.00 75.00 H new ATOM 0 HD3 PRO A 79 -0.398 -20.541 4.213 1.00 75.00 H new ATOM 1262 N LEU A 80 -2.624 -18.548 1.172 1.00 75.00 N ATOM 1263 CA LEU A 80 -2.779 -17.302 0.404 1.00 75.00 C ATOM 1264 C LEU A 80 -1.702 -17.262 -0.700 1.00 75.00 C ATOM 1265 O LEU A 80 -0.572 -17.735 -0.488 1.00 75.00 O ATOM 1266 CB LEU A 80 -2.632 -16.081 1.370 1.00 75.00 C ATOM 1267 CG LEU A 80 -3.733 -15.952 2.486 1.00 75.00 C ATOM 1268 CD1 LEU A 80 -3.390 -14.885 3.535 1.00 75.00 C ATOM 1269 CD2 LEU A 80 -5.117 -15.682 1.867 1.00 75.00 C ATOM 0 H LEU A 80 -1.648 -18.802 1.323 1.00 75.00 H new ATOM 0 HA LEU A 80 -3.764 -17.258 -0.061 1.00 75.00 H new ATOM 0 HB2 LEU A 80 -1.657 -16.140 1.854 1.00 75.00 H new ATOM 0 HB3 LEU A 80 -2.637 -15.168 0.774 1.00 75.00 H new ATOM 0 HG LEU A 80 -3.763 -16.910 3.006 1.00 75.00 H new ATOM 0 HD11 LEU A 80 -4.184 -14.839 4.280 1.00 75.00 H new ATOM 0 HD12 LEU A 80 -2.450 -15.143 4.022 1.00 75.00 H new ATOM 0 HD13 LEU A 80 -3.293 -13.915 3.048 1.00 75.00 H new ATOM 0 HD21 LEU A 80 -5.860 -15.597 2.660 1.00 75.00 H new ATOM 0 HD22 LEU A 80 -5.086 -14.753 1.298 1.00 75.00 H new ATOM 0 HD23 LEU A 80 -5.386 -16.505 1.204 1.00 75.00 H new ATOM 1281 N LYS A 81 -2.057 -16.724 -1.879 1.00 75.00 N ATOM 1282 CA LYS A 81 -1.142 -16.645 -3.036 1.00 75.00 C ATOM 1283 C LYS A 81 -0.366 -15.312 -3.004 1.00 75.00 C ATOM 1284 O LYS A 81 -0.962 -14.229 -3.037 1.00 75.00 O ATOM 1285 CB LYS A 81 -1.919 -16.836 -4.376 1.00 75.00 C ATOM 1286 CG LYS A 81 -3.128 -15.891 -4.591 1.00 75.00 C ATOM 1287 CD LYS A 81 -3.908 -16.143 -5.914 1.00 75.00 C ATOM 1288 CE LYS A 81 -4.597 -17.532 -5.998 1.00 75.00 C ATOM 1289 NZ LYS A 81 -3.649 -18.644 -6.292 1.00 75.00 N ATOM 0 H LYS A 81 -2.982 -16.333 -2.059 1.00 75.00 H new ATOM 0 HA LYS A 81 -0.417 -17.457 -2.972 1.00 75.00 H new ATOM 0 HB2 LYS A 81 -1.222 -16.698 -5.202 1.00 75.00 H new ATOM 0 HB3 LYS A 81 -2.273 -17.866 -4.426 1.00 75.00 H new ATOM 0 HG2 LYS A 81 -3.814 -16.001 -3.751 1.00 75.00 H new ATOM 0 HG3 LYS A 81 -2.775 -14.860 -4.581 1.00 75.00 H new ATOM 0 HD2 LYS A 81 -4.666 -15.368 -6.028 1.00 75.00 H new ATOM 0 HD3 LYS A 81 -3.219 -16.041 -6.753 1.00 75.00 H new ATOM 0 HE2 LYS A 81 -5.104 -17.736 -5.055 1.00 75.00 H new ATOM 0 HE3 LYS A 81 -5.364 -17.503 -6.772 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 -4.017 -19.214 -7.080 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 -2.722 -18.250 -6.552 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 -3.546 -19.244 -5.449 1.00 75.00 H new ATOM 1303 N ILE A 82 0.965 -15.409 -2.899 1.00 75.00 N ATOM 1304 CA ILE A 82 1.869 -14.246 -2.872 1.00 75.00 C ATOM 1305 C ILE A 82 2.553 -14.093 -4.242 1.00 75.00 C ATOM 1306 O ILE A 82 3.027 -15.087 -4.818 1.00 75.00 O ATOM 1307 CB ILE A 82 2.938 -14.371 -1.716 1.00 75.00 C ATOM 1308 CG1 ILE A 82 3.848 -15.635 -1.894 1.00 75.00 C ATOM 1309 CG2 ILE A 82 2.235 -14.388 -0.331 1.00 75.00 C ATOM 1310 CD1 ILE A 82 4.967 -15.791 -0.872 1.00 75.00 C ATOM 0 H ILE A 82 1.452 -16.303 -2.830 1.00 75.00 H new ATOM 0 HA ILE A 82 1.279 -13.353 -2.667 1.00 75.00 H new ATOM 0 HB ILE A 82 3.588 -13.497 -1.771 1.00 75.00 H new ATOM 0 HG12 ILE A 82 3.217 -16.523 -1.854 1.00 75.00 H new ATOM 0 HG13 ILE A 82 4.291 -15.604 -2.889 1.00 75.00 H new ATOM 0 HG21 ILE A 82 2.984 -14.475 0.456 1.00 75.00 H new ATOM 0 HG22 ILE A 82 1.673 -13.464 -0.197 1.00 75.00 H new ATOM 0 HG23 ILE A 82 1.554 -15.238 -0.279 1.00 75.00 H new ATOM 0 HD11 ILE A 82 5.534 -16.697 -1.088 1.00 75.00 H new ATOM 0 HD12 ILE A 82 5.630 -14.927 -0.924 1.00 75.00 H new ATOM 0 HD13 ILE A 82 4.539 -15.861 0.128 1.00 75.00 H new ATOM 1322 N ARG A 83 2.557 -12.853 -4.770 1.00 75.00 N ATOM 1323 CA ARG A 83 3.203 -12.516 -6.047 1.00 75.00 C ATOM 1324 C ARG A 83 3.220 -10.988 -6.234 1.00 75.00 C ATOM 1325 O ARG A 83 2.170 -10.371 -6.454 1.00 75.00 O ATOM 1326 CB ARG A 83 2.475 -13.216 -7.243 1.00 75.00 C ATOM 1327 CG ARG A 83 3.108 -12.978 -8.635 1.00 75.00 C ATOM 1328 CD ARG A 83 2.389 -13.749 -9.762 1.00 75.00 C ATOM 1329 NE ARG A 83 2.938 -13.436 -11.095 1.00 75.00 N ATOM 1330 CZ ARG A 83 2.459 -13.898 -12.261 1.00 75.00 C ATOM 1331 NH1 ARG A 83 1.406 -14.721 -12.295 1.00 75.00 N ATOM 1332 NH2 ARG A 83 3.030 -13.515 -13.400 1.00 75.00 N ATOM 0 H ARG A 83 2.109 -12.056 -4.318 1.00 75.00 H new ATOM 0 HA ARG A 83 4.230 -12.880 -6.028 1.00 75.00 H new ATOM 0 HB2 ARG A 83 2.449 -14.289 -7.053 1.00 75.00 H new ATOM 0 HB3 ARG A 83 1.441 -12.872 -7.269 1.00 75.00 H new ATOM 0 HG2 ARG A 83 3.087 -11.912 -8.861 1.00 75.00 H new ATOM 0 HG3 ARG A 83 4.156 -13.277 -8.608 1.00 75.00 H new ATOM 0 HD2 ARG A 83 2.475 -14.820 -9.579 1.00 75.00 H new ATOM 0 HD3 ARG A 83 1.326 -13.507 -9.744 1.00 75.00 H new ATOM 0 HE ARG A 83 3.748 -12.818 -11.134 1.00 75.00 H new ATOM 0 HH11 ARG A 83 0.954 -15.007 -11.426 1.00 75.00 H new ATOM 0 HH12 ARG A 83 1.055 -15.063 -13.189 1.00 75.00 H new ATOM 0 HH21 ARG A 83 3.825 -12.876 -13.382 1.00 75.00 H new ATOM 0 HH22 ARG A 83 2.673 -13.861 -14.291 1.00 75.00 H new ATOM 1346 N LEU A 84 4.415 -10.386 -6.107 1.00 75.00 N ATOM 1347 CA LEU A 84 4.641 -8.970 -6.423 1.00 75.00 C ATOM 1348 C LEU A 84 4.837 -8.824 -7.938 1.00 75.00 C ATOM 1349 O LEU A 84 5.941 -9.034 -8.456 1.00 75.00 O ATOM 1350 CB LEU A 84 5.871 -8.410 -5.648 1.00 75.00 C ATOM 1351 CG LEU A 84 5.715 -8.286 -4.099 1.00 75.00 C ATOM 1352 CD1 LEU A 84 7.025 -7.802 -3.445 1.00 75.00 C ATOM 1353 CD2 LEU A 84 4.543 -7.352 -3.736 1.00 75.00 C ATOM 0 H LEU A 84 5.251 -10.871 -5.782 1.00 75.00 H new ATOM 0 HA LEU A 84 3.773 -8.390 -6.111 1.00 75.00 H new ATOM 0 HB2 LEU A 84 6.727 -9.052 -5.855 1.00 75.00 H new ATOM 0 HB3 LEU A 84 6.108 -7.424 -6.048 1.00 75.00 H new ATOM 0 HG LEU A 84 5.491 -9.278 -3.707 1.00 75.00 H new ATOM 0 HD11 LEU A 84 6.886 -7.725 -2.367 1.00 75.00 H new ATOM 0 HD12 LEU A 84 7.823 -8.513 -3.659 1.00 75.00 H new ATOM 0 HD13 LEU A 84 7.293 -6.825 -3.847 1.00 75.00 H new ATOM 0 HD21 LEU A 84 4.455 -7.283 -2.652 1.00 75.00 H new ATOM 0 HD22 LEU A 84 4.727 -6.360 -4.150 1.00 75.00 H new ATOM 0 HD23 LEU A 84 3.617 -7.752 -4.150 1.00 75.00 H new ATOM 1365 N THR A 85 3.737 -8.524 -8.639 1.00 75.00 N ATOM 1366 CA THR A 85 3.732 -8.319 -10.090 1.00 75.00 C ATOM 1367 C THR A 85 4.290 -6.915 -10.440 1.00 75.00 C ATOM 1368 O THR A 85 3.535 -5.982 -10.758 1.00 75.00 O ATOM 1369 CB THR A 85 2.285 -8.513 -10.660 1.00 75.00 C ATOM 1370 OG1 THR A 85 1.357 -7.721 -9.897 1.00 75.00 O ATOM 1371 CG2 THR A 85 1.831 -9.984 -10.629 1.00 75.00 C ATOM 0 H THR A 85 2.818 -8.416 -8.210 1.00 75.00 H new ATOM 0 HA THR A 85 4.381 -9.062 -10.554 1.00 75.00 H new ATOM 0 HB THR A 85 2.304 -8.193 -11.702 1.00 75.00 H new ATOM 0 HG1 THR A 85 1.670 -6.793 -9.863 1.00 75.00 H new ATOM 0 HG21 THR A 85 0.822 -10.062 -11.035 1.00 75.00 H new ATOM 0 HG22 THR A 85 2.512 -10.588 -11.230 1.00 75.00 H new ATOM 0 HG23 THR A 85 1.837 -10.345 -9.601 1.00 75.00 H new ATOM 1379 N ARG A 86 5.621 -6.763 -10.307 1.00 75.00 N ATOM 1380 CA ARG A 86 6.338 -5.532 -10.670 1.00 75.00 C ATOM 1381 C ARG A 86 6.672 -5.589 -12.170 1.00 75.00 C ATOM 1382 O ARG A 86 7.633 -6.255 -12.584 1.00 75.00 O ATOM 1383 CB ARG A 86 7.626 -5.368 -9.815 1.00 75.00 C ATOM 1384 CG ARG A 86 8.422 -4.069 -10.096 1.00 75.00 C ATOM 1385 CD ARG A 86 9.735 -3.978 -9.296 1.00 75.00 C ATOM 1386 NE ARG A 86 10.726 -4.999 -9.694 1.00 75.00 N ATOM 1387 CZ ARG A 86 12.060 -4.905 -9.507 1.00 75.00 C ATOM 1388 NH1 ARG A 86 12.601 -3.834 -8.916 1.00 75.00 N ATOM 1389 NH2 ARG A 86 12.845 -5.896 -9.923 1.00 75.00 N ATOM 0 H ARG A 86 6.230 -7.496 -9.943 1.00 75.00 H new ATOM 0 HA ARG A 86 5.709 -4.665 -10.469 1.00 75.00 H new ATOM 0 HB2 ARG A 86 7.352 -5.390 -8.760 1.00 75.00 H new ATOM 0 HB3 ARG A 86 8.277 -6.224 -9.993 1.00 75.00 H new ATOM 0 HG2 ARG A 86 8.648 -4.012 -11.161 1.00 75.00 H new ATOM 0 HG3 ARG A 86 7.797 -3.209 -9.856 1.00 75.00 H new ATOM 0 HD2 ARG A 86 10.168 -2.987 -9.431 1.00 75.00 H new ATOM 0 HD3 ARG A 86 9.515 -4.088 -8.234 1.00 75.00 H new ATOM 0 HE ARG A 86 10.374 -5.843 -10.146 1.00 75.00 H new ATOM 0 HH11 ARG A 86 12.004 -3.071 -8.598 1.00 75.00 H new ATOM 0 HH12 ARG A 86 13.611 -3.780 -8.783 1.00 75.00 H new ATOM 0 HH21 ARG A 86 12.437 -6.713 -10.377 1.00 75.00 H new ATOM 0 HH22 ARG A 86 13.854 -5.838 -9.788 1.00 75.00 H new ATOM 1403 N GLU A 87 5.834 -4.929 -12.974 1.00 75.00 N ATOM 1404 CA GLU A 87 5.947 -4.912 -14.439 1.00 75.00 C ATOM 1405 C GLU A 87 6.759 -3.694 -14.893 1.00 75.00 C ATOM 1406 O GLU A 87 6.733 -2.644 -14.235 1.00 75.00 O ATOM 1407 CB GLU A 87 4.533 -4.901 -15.068 1.00 75.00 C ATOM 1408 CG GLU A 87 3.655 -6.108 -14.656 1.00 75.00 C ATOM 1409 CD GLU A 87 2.246 -6.064 -15.263 1.00 75.00 C ATOM 1410 OE1 GLU A 87 2.091 -6.403 -16.454 1.00 75.00 O ATOM 1411 OE2 GLU A 87 1.284 -5.699 -14.557 1.00 75.00 O ATOM 0 H GLU A 87 5.047 -4.383 -12.623 1.00 75.00 H new ATOM 0 HA GLU A 87 6.470 -5.808 -14.773 1.00 75.00 H new ATOM 0 HB2 GLU A 87 4.025 -3.980 -14.781 1.00 75.00 H new ATOM 0 HB3 GLU A 87 4.629 -4.887 -16.154 1.00 75.00 H new ATOM 0 HG2 GLU A 87 4.148 -7.030 -14.964 1.00 75.00 H new ATOM 0 HG3 GLU A 87 3.575 -6.137 -13.569 1.00 75.00 H new ATOM 1418 N ALA A 88 7.479 -3.857 -16.020 1.00 75.00 N ATOM 1419 CA ALA A 88 8.309 -2.803 -16.615 1.00 75.00 C ATOM 1420 C ALA A 88 7.423 -1.641 -17.129 1.00 75.00 C ATOM 1421 O ALA A 88 6.563 -1.881 -17.988 1.00 75.00 O ATOM 1422 CB ALA A 88 9.162 -3.392 -17.757 1.00 75.00 C ATOM 0 H ALA A 88 7.498 -4.732 -16.543 1.00 75.00 H new ATOM 0 HA ALA A 88 8.977 -2.403 -15.853 1.00 75.00 H new ATOM 0 HB1 ALA A 88 9.776 -2.605 -18.195 1.00 75.00 H new ATOM 0 HB2 ALA A 88 9.806 -4.178 -17.362 1.00 75.00 H new ATOM 0 HB3 ALA A 88 8.507 -3.810 -18.522 1.00 75.00 H new ATOM 1428 N PRO A 89 7.583 -0.386 -16.573 1.00 75.00 N ATOM 1429 CA PRO A 89 6.763 0.786 -16.979 1.00 75.00 C ATOM 1430 C PRO A 89 6.858 1.103 -18.500 1.00 75.00 C ATOM 1431 O PRO A 89 5.884 0.851 -19.241 1.00 75.00 O ATOM 1432 CB PRO A 89 7.334 1.953 -16.115 1.00 75.00 C ATOM 1433 CG PRO A 89 7.992 1.282 -14.948 1.00 75.00 C ATOM 1434 CD PRO A 89 8.552 -0.017 -15.496 1.00 75.00 C ATOM 1435 OXT PRO A 89 7.915 1.589 -18.946 1.00 75.00 O ATOM 0 HA PRO A 89 5.700 0.609 -16.816 1.00 75.00 H new ATOM 0 HB2 PRO A 89 8.048 2.551 -16.681 1.00 75.00 H new ATOM 0 HB3 PRO A 89 6.542 2.627 -15.788 1.00 75.00 H new ATOM 0 HG2 PRO A 89 8.782 1.906 -14.530 1.00 75.00 H new ATOM 0 HG3 PRO A 89 7.277 1.095 -14.147 1.00 75.00 H new ATOM 0 HD2 PRO A 89 9.560 0.115 -15.890 1.00 75.00 H new ATOM 0 HD3 PRO A 89 8.609 -0.786 -14.726 1.00 75.00 H new TER 1443 PRO A 89