USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0 X(o=0,f=0.053) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot -63:sc= 0.697 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.623 USER MOD Set 3.1: A 35 LYS NZ :NH3+ 166:sc= 0.666 (180deg=0) USER MOD Set 3.2: A 63 ASN : amide:sc= 0.868 K(o=1.5,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.671 K(o=0.67,f=-0.91) USER MOD Single : A 16 THR OG1 : rot 83:sc= 0.312 USER MOD Single : A 17 CYS SG : rot 60:sc= 0.431 USER MOD Single : A 20 ASN : amide:sc= -0.0501 K(o=-0.05,f=-0.57) USER MOD Single : A 22 SER OG : rot 150:sc= 0.199 USER MOD Single : A 26 ASN : amide:sc= 2.29 K(o=2.3,f=-6.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc=0.000502 USER MOD Single : A 34 SER OG : rot -48:sc= 0.0138 USER MOD Single : A 39 MET CE :methyl -146:sc=-0.00966 (180deg=-2.34) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.08 K(o=2.1,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.773) USER MOD Single : A 45 SER OG : rot 59:sc= 0.0057 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.19) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -24:sc= 0.029 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.11) USER MOD Single : A 86 MET CE :methyl -158:sc= -0.0133 (180deg=-0.372) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=0.000829 USER MOD Single : A 107 GLN : amide:sc= 0.984 K(o=0.98,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.117 14.930 -8.565 1.00 0.00 N ATOM 2 CA CYS A 2 -0.674 15.393 -9.871 1.00 0.00 C ATOM 3 C CYS A 2 0.731 14.870 -10.251 1.00 0.00 C ATOM 4 O CYS A 2 1.335 15.315 -11.233 1.00 0.00 O ATOM 5 CB CYS A 2 -0.867 16.937 -9.956 1.00 0.00 C ATOM 6 SG CYS A 2 -0.734 17.899 -8.383 1.00 0.00 S ATOM 0 HA CYS A 2 -1.300 14.957 -10.650 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.129 17.331 -10.655 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.849 17.130 -10.387 1.00 0.00 H new ATOM 11 N GLY A 3 1.266 13.928 -9.463 1.00 0.00 N ATOM 12 CA GLY A 3 2.605 13.333 -9.585 1.00 0.00 C ATOM 13 C GLY A 3 3.691 14.296 -9.097 1.00 0.00 C ATOM 14 O GLY A 3 4.636 13.874 -8.435 1.00 0.00 O ATOM 0 H GLY A 3 0.746 13.538 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.649 12.410 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.793 13.067 -10.625 1.00 0.00 H new ATOM 18 N ASP A 4 3.515 15.602 -9.316 1.00 0.00 N ATOM 19 CA ASP A 4 4.361 16.637 -8.717 1.00 0.00 C ATOM 20 C ASP A 4 4.153 16.667 -7.182 1.00 0.00 C ATOM 21 O ASP A 4 5.013 17.176 -6.457 1.00 0.00 O ATOM 22 CB ASP A 4 4.064 18.000 -9.351 1.00 0.00 C ATOM 23 CG ASP A 4 4.711 18.144 -10.740 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.963 18.186 -10.821 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.979 18.245 -11.754 1.00 0.00 O ATOM 0 H ASP A 4 2.778 15.972 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 4 5.408 16.403 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.986 18.132 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.430 18.791 -8.697 1.00 0.00 H new ATOM 30 N CYS A 5 3.048 16.076 -6.692 1.00 0.00 N ATOM 31 CA CYS A 5 2.724 15.896 -5.279 1.00 0.00 C ATOM 32 C CYS A 5 3.766 15.022 -4.535 1.00 0.00 C ATOM 33 O CYS A 5 3.930 15.154 -3.321 1.00 0.00 O ATOM 34 CB CYS A 5 1.350 15.192 -5.136 1.00 0.00 C ATOM 35 SG CYS A 5 -0.112 16.201 -5.538 1.00 0.00 S ATOM 0 H CYS A 5 2.328 15.696 -7.306 1.00 0.00 H new ATOM 0 HA CYS A 5 2.715 16.893 -4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.347 14.312 -5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.251 14.838 -4.110 1.00 0.00 H new ATOM 40 N VAL A 6 4.448 14.101 -5.235 1.00 0.00 N ATOM 41 CA VAL A 6 5.388 13.127 -4.643 1.00 0.00 C ATOM 42 C VAL A 6 6.845 13.429 -5.045 1.00 0.00 C ATOM 43 O VAL A 6 7.117 13.783 -6.196 1.00 0.00 O ATOM 44 CB VAL A 6 4.985 11.673 -4.996 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.526 11.383 -4.615 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.142 11.257 -6.463 1.00 0.00 C ATOM 0 H VAL A 6 4.362 14.008 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 6 5.328 13.228 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 6 5.699 11.092 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.279 10.354 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.395 11.525 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.867 12.063 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.828 10.220 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.523 11.898 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.186 11.357 -6.760 1.00 0.00 H new ATOM 56 N GLU A 7 7.807 13.285 -4.126 1.00 0.00 N ATOM 57 CA GLU A 7 9.240 13.485 -4.416 1.00 0.00 C ATOM 58 C GLU A 7 9.740 12.423 -5.415 1.00 0.00 C ATOM 59 O GLU A 7 10.462 12.738 -6.367 1.00 0.00 O ATOM 60 CB GLU A 7 10.074 13.456 -3.120 1.00 0.00 C ATOM 61 CG GLU A 7 11.559 13.774 -3.336 1.00 0.00 C ATOM 62 CD GLU A 7 11.815 15.281 -3.549 1.00 0.00 C ATOM 63 OE1 GLU A 7 11.697 15.768 -4.699 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.166 15.983 -2.570 1.00 0.00 O ATOM 0 H GLU A 7 7.618 13.026 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 7 9.363 14.468 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.657 14.174 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.985 12.470 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.130 13.430 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.924 13.221 -4.201 1.00 0.00 H new ATOM 71 N LYS A 8 9.314 11.167 -5.219 1.00 0.00 N ATOM 72 CA LYS A 8 9.617 10.011 -6.070 1.00 0.00 C ATOM 73 C LYS A 8 8.330 9.247 -6.378 1.00 0.00 C ATOM 74 O LYS A 8 7.473 9.092 -5.507 1.00 0.00 O ATOM 75 CB LYS A 8 10.625 9.089 -5.357 1.00 0.00 C ATOM 76 CG LYS A 8 12.005 9.740 -5.182 1.00 0.00 C ATOM 77 CD LYS A 8 13.003 8.767 -4.540 1.00 0.00 C ATOM 78 CE LYS A 8 14.366 9.451 -4.375 1.00 0.00 C ATOM 79 NZ LYS A 8 15.369 8.538 -3.768 1.00 0.00 N ATOM 0 H LYS A 8 8.722 10.920 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 8 10.056 10.356 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.231 8.815 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.733 8.166 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.382 10.064 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.913 10.632 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.631 8.439 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.106 7.876 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.723 9.789 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.255 10.337 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.278 9.035 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.039 8.235 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.493 7.704 -4.377 1.00 0.00 H new ATOM 93 N GLU A 9 8.207 8.742 -7.602 1.00 0.00 N ATOM 94 CA GLU A 9 7.079 7.909 -8.037 1.00 0.00 C ATOM 95 C GLU A 9 7.306 6.462 -7.568 1.00 0.00 C ATOM 96 O GLU A 9 8.342 5.871 -7.885 1.00 0.00 O ATOM 97 CB GLU A 9 6.973 7.935 -9.575 1.00 0.00 C ATOM 98 CG GLU A 9 6.285 9.191 -10.119 1.00 0.00 C ATOM 99 CD GLU A 9 6.868 9.600 -11.486 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.360 9.133 -12.535 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.842 10.392 -11.523 1.00 0.00 O ATOM 0 H GLU A 9 8.898 8.900 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 9 6.156 8.297 -7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.974 7.865 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.422 7.055 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.215 9.009 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.405 10.010 -9.410 1.00 0.00 H new ATOM 108 N TYR A 10 6.348 5.888 -6.828 1.00 0.00 N ATOM 109 CA TYR A 10 6.407 4.514 -6.294 1.00 0.00 C ATOM 110 C TYR A 10 7.759 4.177 -5.625 1.00 0.00 C ATOM 111 O TYR A 10 8.460 3.253 -6.057 1.00 0.00 O ATOM 112 CB TYR A 10 5.988 3.485 -7.363 1.00 0.00 C ATOM 113 CG TYR A 10 4.627 3.699 -8.008 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.440 4.733 -8.950 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.542 2.863 -7.669 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.177 4.959 -9.520 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.268 3.096 -8.230 1.00 0.00 C ATOM 118 CZ TYR A 10 2.083 4.142 -9.161 1.00 0.00 C ATOM 119 OH TYR A 10 0.858 4.375 -9.707 1.00 0.00 O ATOM 0 H TYR A 10 5.488 6.375 -6.576 1.00 0.00 H new ATOM 0 HA TYR A 10 5.677 4.454 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.743 3.482 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.999 2.495 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.275 5.356 -9.235 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.687 2.044 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.042 5.758 -10.234 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.433 2.473 -7.947 1.00 0.00 H new ATOM 0 HH TYR A 10 0.215 3.724 -9.357 1.00 0.00 H new ATOM 129 N PRO A 11 8.151 4.919 -4.570 1.00 0.00 N ATOM 130 CA PRO A 11 9.415 4.707 -3.864 1.00 0.00 C ATOM 131 C PRO A 11 9.468 3.322 -3.210 1.00 0.00 C ATOM 132 O PRO A 11 8.455 2.833 -2.716 1.00 0.00 O ATOM 133 CB PRO A 11 9.462 5.816 -2.808 1.00 0.00 C ATOM 134 CG PRO A 11 7.995 6.117 -2.535 1.00 0.00 C ATOM 135 CD PRO A 11 7.399 5.996 -3.934 1.00 0.00 C ATOM 0 HA PRO A 11 10.268 4.744 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.978 5.488 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.990 6.696 -3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.553 5.406 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.851 7.111 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.335 5.763 -3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.499 6.929 -4.488 1.00 0.00 H new ATOM 143 N ASN A 12 10.632 2.675 -3.150 1.00 0.00 N ATOM 144 CA ASN A 12 10.735 1.400 -2.438 1.00 0.00 C ATOM 145 C ASN A 12 10.784 1.663 -0.923 1.00 0.00 C ATOM 146 O ASN A 12 11.361 2.659 -0.476 1.00 0.00 O ATOM 147 CB ASN A 12 11.964 0.618 -2.927 1.00 0.00 C ATOM 148 CG ASN A 12 11.910 0.252 -4.403 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.800 0.577 -5.177 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.875 -0.421 -4.854 1.00 0.00 N ATOM 0 H ASN A 12 11.499 3.003 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 12 9.858 0.786 -2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.859 1.212 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.060 -0.295 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.819 -0.668 -5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.128 -0.696 -4.216 1.00 0.00 H new ATOM 157 N ARG A 13 10.177 0.772 -0.126 1.00 0.00 N ATOM 158 CA ARG A 13 10.068 0.917 1.345 1.00 0.00 C ATOM 159 C ARG A 13 10.804 -0.173 2.126 1.00 0.00 C ATOM 160 O ARG A 13 10.386 -0.566 3.216 1.00 0.00 O ATOM 161 CB ARG A 13 8.582 1.022 1.732 1.00 0.00 C ATOM 162 CG ARG A 13 7.809 2.145 1.027 1.00 0.00 C ATOM 163 CD ARG A 13 8.338 3.553 1.340 1.00 0.00 C ATOM 164 NE ARG A 13 8.231 3.873 2.779 1.00 0.00 N ATOM 165 CZ ARG A 13 7.126 4.133 3.458 1.00 0.00 C ATOM 166 NH1 ARG A 13 5.959 4.230 2.889 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.175 4.289 4.750 1.00 0.00 N ATOM 0 H ARG A 13 9.742 -0.079 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 13 10.577 1.837 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.096 0.072 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.512 1.173 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.852 1.982 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.760 2.089 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.380 3.628 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.778 4.288 0.762 1.00 0.00 H new ATOM 0 HE ARG A 13 9.104 3.896 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.871 4.104 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.133 4.432 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.066 4.211 5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.322 4.489 5.272 1.00 0.00 H new ATOM 181 N GLY A 14 11.869 -0.706 1.529 1.00 0.00 N ATOM 182 CA GLY A 14 12.718 -1.780 2.064 1.00 0.00 C ATOM 183 C GLY A 14 12.017 -3.104 2.390 1.00 0.00 C ATOM 184 O GLY A 14 12.643 -3.951 3.027 1.00 0.00 O ATOM 0 H GLY A 14 12.183 -0.387 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.510 -1.981 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.199 -1.415 2.972 1.00 0.00 H new ATOM 188 N ASN A 15 10.763 -3.243 1.926 1.00 0.00 N ATOM 189 CA ASN A 15 9.783 -4.351 1.993 1.00 0.00 C ATOM 190 C ASN A 15 8.431 -4.009 2.680 1.00 0.00 C ATOM 191 O ASN A 15 7.544 -4.862 2.737 1.00 0.00 O ATOM 192 CB ASN A 15 10.367 -5.651 2.591 1.00 0.00 C ATOM 193 CG ASN A 15 10.451 -5.683 4.119 1.00 0.00 C ATOM 194 OD1 ASN A 15 10.369 -4.683 4.822 1.00 0.00 O ATOM 195 ND2 ASN A 15 10.570 -6.850 4.708 1.00 0.00 N ATOM 0 H ASN A 15 10.349 -2.462 1.417 1.00 0.00 H new ATOM 0 HA ASN A 15 9.555 -4.522 0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.757 -6.491 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.367 -5.802 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.592 -6.907 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.640 -7.699 4.148 1.00 0.00 H new ATOM 202 N THR A 16 8.256 -2.798 3.221 1.00 0.00 N ATOM 203 CA THR A 16 7.044 -2.393 3.972 1.00 0.00 C ATOM 204 C THR A 16 5.783 -2.360 3.094 1.00 0.00 C ATOM 205 O THR A 16 5.726 -1.562 2.161 1.00 0.00 O ATOM 206 CB THR A 16 7.267 -1.010 4.616 1.00 0.00 C ATOM 207 OG1 THR A 16 8.404 -1.021 5.456 1.00 0.00 O ATOM 208 CG2 THR A 16 6.096 -0.529 5.466 1.00 0.00 C ATOM 0 H THR A 16 8.955 -2.058 3.154 1.00 0.00 H new ATOM 0 HA THR A 16 6.878 -3.146 4.743 1.00 0.00 H new ATOM 0 HB THR A 16 7.392 -0.332 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.211 -0.885 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.328 0.450 5.885 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.202 -0.456 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.919 -1.237 6.276 1.00 0.00 H new ATOM 216 N CYS A 17 4.763 -3.185 3.386 1.00 0.00 N ATOM 217 CA CYS A 17 3.501 -3.260 2.635 1.00 0.00 C ATOM 218 C CYS A 17 2.305 -3.004 3.575 1.00 0.00 C ATOM 219 O CYS A 17 2.009 -3.834 4.437 1.00 0.00 O ATOM 220 CB CYS A 17 3.394 -4.641 1.971 1.00 0.00 C ATOM 221 SG CYS A 17 4.791 -4.966 0.857 1.00 0.00 S ATOM 0 H CYS A 17 4.796 -3.835 4.172 1.00 0.00 H new ATOM 0 HA CYS A 17 3.486 -2.493 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.356 -5.412 2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.461 -4.703 1.411 1.00 0.00 H new ATOM 0 HG CYS A 17 5.903 -4.916 1.529 1.00 0.00 H new ATOM 227 N LEU A 18 1.642 -1.850 3.425 1.00 0.00 N ATOM 228 CA LEU A 18 0.544 -1.367 4.279 1.00 0.00 C ATOM 229 C LEU A 18 -0.767 -1.107 3.521 1.00 0.00 C ATOM 230 O LEU A 18 -0.780 -0.692 2.362 1.00 0.00 O ATOM 231 CB LEU A 18 0.997 -0.063 4.978 1.00 0.00 C ATOM 232 CG LEU A 18 1.694 -0.211 6.345 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.798 -1.262 6.384 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.303 1.135 6.746 1.00 0.00 C ATOM 0 H LEU A 18 1.864 -1.198 2.673 1.00 0.00 H new ATOM 0 HA LEU A 18 0.330 -2.158 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.675 0.464 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.122 0.573 5.110 1.00 0.00 H new ATOM 0 HG LEU A 18 0.920 -0.542 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.232 -1.297 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.380 -2.238 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.572 -1.004 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.798 1.037 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.031 1.443 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.515 1.885 6.816 1.00 0.00 H new ATOM 246 N GLU A 19 -1.870 -1.297 4.244 1.00 0.00 N ATOM 247 CA GLU A 19 -3.259 -1.053 3.834 1.00 0.00 C ATOM 248 C GLU A 19 -3.826 0.268 4.402 1.00 0.00 C ATOM 249 O GLU A 19 -5.005 0.565 4.202 1.00 0.00 O ATOM 250 CB GLU A 19 -4.142 -2.236 4.290 1.00 0.00 C ATOM 251 CG GLU A 19 -4.449 -2.361 5.794 1.00 0.00 C ATOM 252 CD GLU A 19 -3.234 -2.780 6.646 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.367 -1.920 6.935 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.147 -3.967 7.043 1.00 0.00 O ATOM 0 H GLU A 19 -1.816 -1.650 5.199 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.268 -0.964 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.091 -2.171 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.659 -3.159 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.824 -1.405 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.247 -3.091 5.933 1.00 0.00 H new ATOM 261 N ASN A 20 -3.018 1.039 5.141 1.00 0.00 N ATOM 262 CA ASN A 20 -3.410 2.291 5.805 1.00 0.00 C ATOM 263 C ASN A 20 -2.314 3.378 5.750 1.00 0.00 C ATOM 264 O ASN A 20 -1.122 3.077 5.626 1.00 0.00 O ATOM 265 CB ASN A 20 -3.717 1.986 7.290 1.00 0.00 C ATOM 266 CG ASN A 20 -5.021 1.244 7.531 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.074 1.603 7.025 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.006 0.205 8.335 1.00 0.00 N ATOM 0 H ASN A 20 -2.039 0.801 5.299 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.281 2.677 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.898 1.396 7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.742 2.926 7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.871 -0.298 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.130 -0.099 8.760 1.00 0.00 H new ATOM 275 N GLY A 21 -2.726 4.641 5.926 1.00 0.00 N ATOM 276 CA GLY A 21 -1.847 5.816 6.016 1.00 0.00 C ATOM 277 C GLY A 21 -1.599 6.573 4.703 1.00 0.00 C ATOM 278 O GLY A 21 -2.167 6.252 3.658 1.00 0.00 O ATOM 0 H GLY A 21 -3.714 4.881 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.276 6.511 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.885 5.495 6.415 1.00 0.00 H new ATOM 282 N SER A 22 -0.730 7.587 4.796 1.00 0.00 N ATOM 283 CA SER A 22 -0.256 8.475 3.718 1.00 0.00 C ATOM 284 C SER A 22 1.205 8.848 4.004 1.00 0.00 C ATOM 285 O SER A 22 1.513 9.352 5.087 1.00 0.00 O ATOM 286 CB SER A 22 -1.087 9.763 3.650 1.00 0.00 C ATOM 287 OG SER A 22 -2.398 9.516 3.164 1.00 0.00 O ATOM 0 H SER A 22 -0.306 7.829 5.692 1.00 0.00 H new ATOM 0 HA SER A 22 -0.353 7.952 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.145 10.212 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.588 10.484 3.002 1.00 0.00 H new ATOM 0 HG SER A 22 -3.020 10.164 3.556 1.00 0.00 H new ATOM 293 N PHE A 23 2.124 8.562 3.079 1.00 0.00 N ATOM 294 CA PHE A 23 3.571 8.761 3.257 1.00 0.00 C ATOM 295 C PHE A 23 4.057 10.218 3.177 1.00 0.00 C ATOM 296 O PHE A 23 4.636 10.660 2.183 1.00 0.00 O ATOM 297 CB PHE A 23 4.314 7.819 2.302 1.00 0.00 C ATOM 298 CG PHE A 23 5.812 7.635 2.510 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.413 7.760 3.780 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.609 7.259 1.412 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.792 7.533 3.935 1.00 0.00 C ATOM 302 CE2 PHE A 23 7.991 7.055 1.562 1.00 0.00 C ATOM 303 CZ PHE A 23 8.589 7.218 2.822 1.00 0.00 C ATOM 0 H PHE A 23 1.882 8.178 2.166 1.00 0.00 H new ATOM 0 HA PHE A 23 3.808 8.504 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.844 6.838 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.159 8.181 1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.812 8.031 4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.152 7.126 0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.241 7.601 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.592 6.773 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.657 7.102 2.935 1.00 0.00 H new ATOM 313 N LEU A 24 3.827 10.982 4.246 1.00 0.00 N ATOM 314 CA LEU A 24 4.176 12.403 4.359 1.00 0.00 C ATOM 315 C LEU A 24 5.640 12.754 4.017 1.00 0.00 C ATOM 316 O LEU A 24 5.917 13.850 3.528 1.00 0.00 O ATOM 317 CB LEU A 24 3.814 12.921 5.764 1.00 0.00 C ATOM 318 CG LEU A 24 2.365 12.678 6.234 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.124 13.415 7.552 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.316 13.144 5.224 1.00 0.00 C ATOM 0 H LEU A 24 3.378 10.618 5.086 1.00 0.00 H new ATOM 0 HA LEU A 24 3.584 12.907 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.489 12.457 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.007 13.993 5.793 1.00 0.00 H new ATOM 0 HG LEU A 24 2.256 11.600 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.100 13.243 7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.817 13.045 8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.283 14.483 7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.319 12.944 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.429 14.214 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.451 12.607 4.285 1.00 0.00 H new ATOM 332 N LEU A 25 6.576 11.823 4.239 1.00 0.00 N ATOM 333 CA LEU A 25 8.000 11.980 3.905 1.00 0.00 C ATOM 334 C LEU A 25 8.274 11.969 2.385 1.00 0.00 C ATOM 335 O LEU A 25 9.299 12.503 1.956 1.00 0.00 O ATOM 336 CB LEU A 25 8.815 10.892 4.630 1.00 0.00 C ATOM 337 CG LEU A 25 9.038 11.164 6.130 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.642 9.927 6.797 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.990 12.338 6.378 1.00 0.00 C ATOM 0 H LEU A 25 6.362 10.921 4.664 1.00 0.00 H new ATOM 0 HA LEU A 25 8.314 12.965 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.304 9.936 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.785 10.794 4.142 1.00 0.00 H new ATOM 0 HG LEU A 25 8.063 11.409 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.798 10.125 7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.962 9.083 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.597 9.691 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.112 12.487 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.959 12.122 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.577 13.242 5.931 1.00 0.00 H new ATOM 351 N ASN A 26 7.359 11.430 1.565 1.00 0.00 N ATOM 352 CA ASN A 26 7.447 11.467 0.099 1.00 0.00 C ATOM 353 C ASN A 26 6.522 12.551 -0.463 1.00 0.00 C ATOM 354 O ASN A 26 6.846 13.171 -1.472 1.00 0.00 O ATOM 355 CB ASN A 26 7.101 10.094 -0.492 1.00 0.00 C ATOM 356 CG ASN A 26 7.350 10.027 -1.996 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.238 10.659 -2.543 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.598 9.254 -2.734 1.00 0.00 N ATOM 0 H ASN A 26 6.526 10.950 1.907 1.00 0.00 H new ATOM 0 HA ASN A 26 8.471 11.712 -0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.695 9.327 0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.054 9.868 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.762 9.192 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.847 8.713 -2.305 1.00 0.00 H new ATOM 365 N PHE A 27 5.388 12.811 0.193 1.00 0.00 N ATOM 366 CA PHE A 27 4.483 13.894 -0.202 1.00 0.00 C ATOM 367 C PHE A 27 5.169 15.248 0.012 1.00 0.00 C ATOM 368 O PHE A 27 5.367 15.690 1.145 1.00 0.00 O ATOM 369 CB PHE A 27 3.162 13.834 0.572 1.00 0.00 C ATOM 370 CG PHE A 27 2.140 14.888 0.163 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.686 14.970 -1.170 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.611 15.774 1.122 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.690 15.895 -1.541 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.612 16.696 0.757 1.00 0.00 C ATOM 375 CZ PHE A 27 0.141 16.745 -0.566 1.00 0.00 C ATOM 0 H PHE A 27 5.073 12.282 1.006 1.00 0.00 H new ATOM 0 HA PHE A 27 4.248 13.772 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.721 12.847 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.374 13.945 1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.108 14.314 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.973 15.746 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.352 15.950 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.206 17.369 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.644 17.437 -0.834 1.00 0.00 H new ATOM 385 N THR A 28 5.517 15.927 -1.077 1.00 0.00 N ATOM 386 CA THR A 28 6.171 17.252 -1.059 1.00 0.00 C ATOM 387 C THR A 28 5.155 18.399 -1.047 1.00 0.00 C ATOM 388 O THR A 28 5.529 19.571 -1.123 1.00 0.00 O ATOM 389 CB THR A 28 7.143 17.404 -2.246 1.00 0.00 C ATOM 390 OG1 THR A 28 6.547 17.046 -3.476 1.00 0.00 O ATOM 391 CG2 THR A 28 8.350 16.487 -2.066 1.00 0.00 C ATOM 0 H THR A 28 5.354 15.574 -2.020 1.00 0.00 H new ATOM 0 HA THR A 28 6.740 17.311 -0.131 1.00 0.00 H new ATOM 0 HB THR A 28 7.432 18.455 -2.265 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.198 17.159 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.027 16.606 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.871 16.748 -1.145 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.015 15.451 -2.012 1.00 0.00 H new ATOM 399 N GLY A 29 3.864 18.064 -0.965 1.00 0.00 N ATOM 400 CA GLY A 29 2.743 18.991 -1.036 1.00 0.00 C ATOM 401 C GLY A 29 2.214 19.057 -2.472 1.00 0.00 C ATOM 402 O GLY A 29 2.981 18.869 -3.424 1.00 0.00 O ATOM 0 H GLY A 29 3.564 17.097 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.950 18.669 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.058 19.982 -0.709 1.00 0.00 H new ATOM 406 N CYS A 30 0.915 19.315 -2.610 1.00 0.00 N ATOM 407 CA CYS A 30 0.192 19.367 -3.873 1.00 0.00 C ATOM 408 C CYS A 30 0.807 20.312 -4.911 1.00 0.00 C ATOM 409 O CYS A 30 1.635 21.182 -4.608 1.00 0.00 O ATOM 410 CB CYS A 30 -1.280 19.741 -3.589 1.00 0.00 C ATOM 411 SG CYS A 30 -2.423 19.290 -4.960 1.00 0.00 S ATOM 0 H CYS A 30 0.314 19.501 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 30 0.258 18.376 -4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.605 19.242 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.347 20.814 -3.408 1.00 0.00 H new ATOM 416 N ALA A 31 0.323 20.187 -6.135 1.00 0.00 N ATOM 417 CA ALA A 31 0.636 21.086 -7.236 1.00 0.00 C ATOM 418 C ALA A 31 -0.632 21.669 -7.889 1.00 0.00 C ATOM 419 O ALA A 31 -0.519 22.661 -8.622 1.00 0.00 O ATOM 420 CB ALA A 31 1.599 20.442 -8.234 1.00 0.00 C ATOM 0 H ALA A 31 -0.316 19.437 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 31 1.166 21.943 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.809 21.143 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.529 20.183 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.147 19.540 -8.646 1.00 0.00 H new ATOM 426 N VAL A 32 -1.835 21.155 -7.584 1.00 0.00 N ATOM 427 CA VAL A 32 -3.091 21.770 -8.032 1.00 0.00 C ATOM 428 C VAL A 32 -3.352 23.041 -7.204 1.00 0.00 C ATOM 429 O VAL A 32 -3.849 24.031 -7.754 1.00 0.00 O ATOM 430 CB VAL A 32 -4.291 20.788 -7.956 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.671 21.451 -8.109 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.224 19.737 -9.073 1.00 0.00 C ATOM 0 H VAL A 32 -1.962 20.311 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.988 22.036 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.200 20.357 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.449 20.691 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.812 22.185 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.730 21.948 -9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.078 19.065 -8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.245 20.235 -10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.301 19.164 -8.979 1.00 0.00 H new ATOM 442 N CYS A 33 -2.988 23.037 -5.914 1.00 0.00 N ATOM 443 CA CYS A 33 -3.179 24.137 -4.963 1.00 0.00 C ATOM 444 C CYS A 33 -1.947 24.533 -4.105 1.00 0.00 C ATOM 445 O CYS A 33 -1.946 25.622 -3.517 1.00 0.00 O ATOM 446 CB CYS A 33 -4.336 23.749 -4.039 1.00 0.00 C ATOM 447 SG CYS A 33 -3.844 22.346 -2.984 1.00 0.00 S ATOM 0 H CYS A 33 -2.532 22.230 -5.488 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.378 25.024 -5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.619 24.600 -3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.211 23.481 -4.631 1.00 0.00 H new ATOM 452 N SER A 34 -0.900 23.695 -4.046 1.00 0.00 N ATOM 453 CA SER A 34 0.362 23.920 -3.302 1.00 0.00 C ATOM 454 C SER A 34 0.324 23.635 -1.775 1.00 0.00 C ATOM 455 O SER A 34 1.209 24.088 -1.039 1.00 0.00 O ATOM 456 CB SER A 34 0.961 25.301 -3.638 1.00 0.00 C ATOM 457 OG SER A 34 2.380 25.298 -3.541 1.00 0.00 O ATOM 0 H SER A 34 -0.904 22.800 -4.536 1.00 0.00 H new ATOM 0 HA SER A 34 1.037 23.145 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.666 25.590 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.552 26.050 -2.960 1.00 0.00 H new ATOM 0 HG SER A 34 2.649 24.876 -2.698 1.00 0.00 H new ATOM 463 N LYS A 35 -0.662 22.887 -1.248 1.00 0.00 N ATOM 464 CA LYS A 35 -0.771 22.549 0.195 1.00 0.00 C ATOM 465 C LYS A 35 -0.007 21.274 0.582 1.00 0.00 C ATOM 466 O LYS A 35 -0.003 20.297 -0.163 1.00 0.00 O ATOM 467 CB LYS A 35 -2.254 22.391 0.561 1.00 0.00 C ATOM 468 CG LYS A 35 -2.926 23.762 0.775 1.00 0.00 C ATOM 469 CD LYS A 35 -3.449 23.883 2.211 1.00 0.00 C ATOM 470 CE LYS A 35 -3.863 25.307 2.615 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.886 25.905 1.715 1.00 0.00 N ATOM 0 H LYS A 35 -1.416 22.493 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.313 23.367 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.771 21.850 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.346 21.793 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.211 24.560 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.748 23.885 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.306 23.220 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.678 23.533 2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.252 25.289 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.980 25.945 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.292 26.750 2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.442 26.172 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.640 25.211 1.537 1.00 0.00 H new ATOM 485 N ARG A 36 0.586 21.247 1.785 1.00 0.00 N ATOM 486 CA ARG A 36 1.296 20.085 2.375 1.00 0.00 C ATOM 487 C ARG A 36 0.601 19.641 3.673 1.00 0.00 C ATOM 488 O ARG A 36 -0.174 20.410 4.233 1.00 0.00 O ATOM 489 CB ARG A 36 2.789 20.395 2.551 1.00 0.00 C ATOM 490 CG ARG A 36 3.587 19.106 2.820 1.00 0.00 C ATOM 491 CD ARG A 36 5.073 19.282 2.543 1.00 0.00 C ATOM 492 NE ARG A 36 5.772 17.990 2.701 1.00 0.00 N ATOM 493 CZ ARG A 36 6.864 17.714 3.386 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.571 18.631 3.984 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.264 16.480 3.480 1.00 0.00 N ATOM 0 H ARG A 36 0.589 22.059 2.402 1.00 0.00 H new ATOM 0 HA ARG A 36 1.244 19.237 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.171 20.885 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.925 21.092 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.446 18.803 3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.196 18.302 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.220 19.664 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.494 20.019 3.227 1.00 0.00 H new ATOM 0 HE ARG A 36 5.350 17.201 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.286 19.609 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.410 18.371 4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.734 15.736 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.108 16.256 4.008 1.00 0.00 H new ATOM 509 N ASP A 37 0.842 18.405 4.130 1.00 0.00 N ATOM 510 CA ASP A 37 0.218 17.764 5.312 1.00 0.00 C ATOM 511 C ASP A 37 -1.328 17.795 5.333 1.00 0.00 C ATOM 512 O ASP A 37 -1.987 17.743 6.374 1.00 0.00 O ATOM 513 CB ASP A 37 0.887 18.199 6.623 1.00 0.00 C ATOM 514 CG ASP A 37 0.733 19.678 7.030 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.269 20.038 7.694 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.675 20.470 6.775 1.00 0.00 O ATOM 0 H ASP A 37 1.510 17.788 3.667 1.00 0.00 H new ATOM 0 HA ASP A 37 0.425 16.699 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.487 17.583 7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.952 17.977 6.550 1.00 0.00 H new ATOM 521 N PHE A 38 -1.894 17.860 4.132 1.00 0.00 N ATOM 522 CA PHE A 38 -3.312 17.947 3.798 1.00 0.00 C ATOM 523 C PHE A 38 -3.742 16.779 2.906 1.00 0.00 C ATOM 524 O PHE A 38 -3.569 16.810 1.689 1.00 0.00 O ATOM 525 CB PHE A 38 -3.615 19.299 3.129 1.00 0.00 C ATOM 526 CG PHE A 38 -4.006 20.429 4.070 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.213 20.789 5.176 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.205 21.128 3.831 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.589 21.866 5.998 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.579 22.211 4.644 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.766 22.585 5.728 1.00 0.00 C ATOM 0 H PHE A 38 -1.318 17.852 3.290 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.890 17.881 4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.736 19.609 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.421 19.155 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.312 20.235 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.844 20.828 3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.971 22.142 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.489 22.755 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.045 23.422 6.351 1.00 0.00 H new ATOM 541 N MET A 39 -4.342 15.757 3.516 1.00 0.00 N ATOM 542 CA MET A 39 -4.872 14.592 2.793 1.00 0.00 C ATOM 543 C MET A 39 -5.927 13.773 3.552 1.00 0.00 C ATOM 544 O MET A 39 -5.920 13.672 4.780 1.00 0.00 O ATOM 545 CB MET A 39 -3.764 13.650 2.278 1.00 0.00 C ATOM 546 CG MET A 39 -2.650 13.347 3.292 1.00 0.00 C ATOM 547 SD MET A 39 -1.015 14.002 2.861 1.00 0.00 S ATOM 548 CE MET A 39 -0.685 13.056 1.347 1.00 0.00 C ATOM 0 H MET A 39 -4.476 15.710 4.526 1.00 0.00 H new ATOM 0 HA MET A 39 -5.382 15.049 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.221 12.709 1.970 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.315 14.093 1.389 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.942 13.752 4.261 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.571 12.266 3.409 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.382 12.844 1.276 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.241 12.119 1.375 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.998 13.637 0.479 1.00 0.00 H new ATOM 558 N LEU A 40 -6.799 13.163 2.749 1.00 0.00 N ATOM 559 CA LEU A 40 -7.927 12.277 3.041 1.00 0.00 C ATOM 560 C LEU A 40 -7.784 10.987 2.208 1.00 0.00 C ATOM 561 O LEU A 40 -7.028 10.943 1.234 1.00 0.00 O ATOM 562 CB LEU A 40 -9.235 13.011 2.651 1.00 0.00 C ATOM 563 CG LEU A 40 -9.946 13.877 3.708 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.961 13.041 4.495 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.035 14.526 4.734 1.00 0.00 C ATOM 0 H LEU A 40 -6.719 13.298 1.741 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.948 12.018 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.012 13.650 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.946 12.259 2.309 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.411 14.669 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.453 13.670 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.707 12.635 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.446 12.222 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.633 15.113 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.494 13.754 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.323 15.178 4.228 1.00 0.00 H new ATOM 577 N ILE A 41 -8.556 9.957 2.556 1.00 0.00 N ATOM 578 CA ILE A 41 -8.641 8.669 1.856 1.00 0.00 C ATOM 579 C ILE A 41 -10.126 8.400 1.599 1.00 0.00 C ATOM 580 O ILE A 41 -10.957 8.573 2.496 1.00 0.00 O ATOM 581 CB ILE A 41 -7.990 7.546 2.699 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.456 7.740 2.757 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.344 6.143 2.151 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.750 6.842 3.781 1.00 0.00 C ATOM 0 H ILE A 41 -9.168 9.997 3.371 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.097 8.696 0.912 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.392 7.612 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.038 7.545 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.241 8.782 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.869 5.381 2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.425 6.006 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.988 6.053 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.678 7.039 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.138 7.052 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.932 5.796 3.534 1.00 0.00 H new ATOM 596 N THR A 42 -10.463 7.970 0.384 1.00 0.00 N ATOM 597 CA THR A 42 -11.846 7.647 -0.004 1.00 0.00 C ATOM 598 C THR A 42 -11.898 6.508 -1.027 1.00 0.00 C ATOM 599 O THR A 42 -10.861 6.078 -1.535 1.00 0.00 O ATOM 600 CB THR A 42 -12.590 8.907 -0.496 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.961 8.754 -0.196 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.492 9.166 -2.002 1.00 0.00 C ATOM 0 H THR A 42 -9.786 7.833 -0.366 1.00 0.00 H new ATOM 0 HA THR A 42 -12.366 7.288 0.884 1.00 0.00 H new ATOM 0 HB THR A 42 -12.116 9.749 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.453 9.546 -0.499 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.045 10.071 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.446 9.291 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.915 8.321 -2.545 1.00 0.00 H new ATOM 610 N ASN A 43 -13.105 6.023 -1.336 1.00 0.00 N ATOM 611 CA ASN A 43 -13.422 4.951 -2.300 1.00 0.00 C ATOM 612 C ASN A 43 -12.748 3.586 -2.012 1.00 0.00 C ATOM 613 O ASN A 43 -12.722 2.694 -2.863 1.00 0.00 O ATOM 614 CB ASN A 43 -13.302 5.507 -3.745 1.00 0.00 C ATOM 615 CG ASN A 43 -12.147 4.998 -4.600 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.335 4.445 -5.676 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.926 5.195 -4.171 1.00 0.00 N ATOM 0 H ASN A 43 -13.947 6.390 -0.892 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.464 4.660 -2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.232 5.286 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.222 6.592 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.132 4.888 -4.733 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.768 5.656 -3.275 1.00 0.00 H new ATOM 624 N LYS A 44 -12.209 3.430 -0.793 1.00 0.00 N ATOM 625 CA LYS A 44 -11.495 2.252 -0.292 1.00 0.00 C ATOM 626 C LYS A 44 -12.271 0.951 -0.484 1.00 0.00 C ATOM 627 O LYS A 44 -13.304 0.724 0.150 1.00 0.00 O ATOM 628 CB LYS A 44 -11.135 2.473 1.182 1.00 0.00 C ATOM 629 CG LYS A 44 -10.078 1.468 1.668 1.00 0.00 C ATOM 630 CD LYS A 44 -9.522 1.839 3.045 1.00 0.00 C ATOM 631 CE LYS A 44 -8.270 1.007 3.336 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.641 1.408 4.615 1.00 0.00 N ATOM 0 H LYS A 44 -12.265 4.168 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.586 2.137 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.761 3.488 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.033 2.381 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.518 0.472 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.261 1.424 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.280 2.901 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.275 1.661 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.534 -0.050 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.554 1.127 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.620 1.214 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.795 2.424 4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.066 0.867 5.395 1.00 0.00 H new ATOM 646 N SER A 45 -11.744 0.108 -1.359 1.00 0.00 N ATOM 647 CA SER A 45 -12.274 -1.209 -1.688 1.00 0.00 C ATOM 648 C SER A 45 -11.414 -2.336 -1.114 1.00 0.00 C ATOM 649 O SER A 45 -10.214 -2.177 -0.877 1.00 0.00 O ATOM 650 CB SER A 45 -12.389 -1.343 -3.211 1.00 0.00 C ATOM 651 OG SER A 45 -13.385 -0.465 -3.714 1.00 0.00 O ATOM 0 H SER A 45 -10.898 0.332 -1.883 1.00 0.00 H new ATOM 0 HA SER A 45 -13.260 -1.301 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.429 -1.117 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.636 -2.372 -3.474 1.00 0.00 H new ATOM 0 HG SER A 45 -13.156 0.458 -3.479 1.00 0.00 H new ATOM 657 N LEU A 46 -12.038 -3.498 -0.924 1.00 0.00 N ATOM 658 CA LEU A 46 -11.423 -4.723 -0.415 1.00 0.00 C ATOM 659 C LEU A 46 -11.965 -5.939 -1.177 1.00 0.00 C ATOM 660 O LEU A 46 -13.164 -6.028 -1.458 1.00 0.00 O ATOM 661 CB LEU A 46 -11.623 -4.827 1.110 1.00 0.00 C ATOM 662 CG LEU A 46 -11.184 -6.186 1.713 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.584 -5.988 3.106 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.342 -7.178 1.863 1.00 0.00 C ATOM 0 H LEU A 46 -13.030 -3.616 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.347 -4.696 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.062 -4.028 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.676 -4.662 1.340 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.453 -6.591 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.282 -6.953 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.714 -5.335 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.328 -5.535 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.970 -8.109 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.101 -6.755 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.780 -7.377 0.885 1.00 0.00 H new ATOM 676 N LYS A 47 -11.065 -6.863 -1.515 1.00 0.00 N ATOM 677 CA LYS A 47 -11.323 -8.100 -2.258 1.00 0.00 C ATOM 678 C LYS A 47 -10.682 -9.294 -1.569 1.00 0.00 C ATOM 679 O LYS A 47 -9.613 -9.160 -0.982 1.00 0.00 O ATOM 680 CB LYS A 47 -10.765 -7.983 -3.682 1.00 0.00 C ATOM 681 CG LYS A 47 -11.681 -8.622 -4.726 1.00 0.00 C ATOM 682 CD LYS A 47 -10.976 -8.754 -6.081 1.00 0.00 C ATOM 683 CE LYS A 47 -11.926 -9.372 -7.114 1.00 0.00 C ATOM 684 NZ LYS A 47 -11.195 -9.796 -8.334 1.00 0.00 N ATOM 0 H LYS A 47 -10.081 -6.764 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.402 -8.251 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.620 -6.931 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.785 -8.458 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.998 -9.606 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.582 -8.019 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.643 -7.774 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.086 -9.375 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.435 -10.231 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.696 -8.648 -7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.873 -10.147 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.675 -8.985 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.524 -10.553 -8.091 1.00 0.00 H new ATOM 698 N GLU A 48 -11.306 -10.460 -1.652 1.00 0.00 N ATOM 699 CA GLU A 48 -10.712 -11.691 -1.111 1.00 0.00 C ATOM 700 C GLU A 48 -10.934 -12.872 -2.073 1.00 0.00 C ATOM 701 O GLU A 48 -12.070 -13.292 -2.308 1.00 0.00 O ATOM 702 CB GLU A 48 -11.332 -12.004 0.264 1.00 0.00 C ATOM 703 CG GLU A 48 -11.126 -10.925 1.333 1.00 0.00 C ATOM 704 CD GLU A 48 -11.747 -11.373 2.671 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.096 -12.133 3.429 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.903 -10.984 2.970 1.00 0.00 O ATOM 0 H GLU A 48 -12.220 -10.588 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.638 -11.541 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.402 -12.165 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.911 -12.941 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.061 -10.732 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.581 -9.990 1.008 1.00 0.00 H new ATOM 713 N GLU A 49 -9.846 -13.430 -2.613 1.00 0.00 N ATOM 714 CA GLU A 49 -9.838 -14.632 -3.464 1.00 0.00 C ATOM 715 C GLU A 49 -9.022 -15.790 -2.870 1.00 0.00 C ATOM 716 O GLU A 49 -7.810 -15.672 -2.731 1.00 0.00 O ATOM 717 CB GLU A 49 -9.359 -14.312 -4.887 1.00 0.00 C ATOM 718 CG GLU A 49 -10.334 -13.392 -5.640 1.00 0.00 C ATOM 719 CD GLU A 49 -9.908 -13.165 -7.104 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.824 -14.146 -7.883 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.704 -11.992 -7.502 1.00 0.00 O ATOM 0 H GLU A 49 -8.912 -13.046 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.874 -14.967 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.379 -13.837 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.237 -15.241 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.333 -13.828 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.394 -12.432 -5.128 1.00 0.00 H new ATOM 728 N ASP A 50 -9.632 -16.952 -2.640 1.00 0.00 N ATOM 729 CA ASP A 50 -8.976 -18.218 -2.231 1.00 0.00 C ATOM 730 C ASP A 50 -7.908 -18.166 -1.097 1.00 0.00 C ATOM 731 O ASP A 50 -7.057 -19.052 -0.983 1.00 0.00 O ATOM 732 CB ASP A 50 -8.411 -18.852 -3.519 1.00 0.00 C ATOM 733 CG ASP A 50 -8.135 -20.363 -3.399 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.010 -21.107 -2.891 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.069 -20.827 -3.872 1.00 0.00 O ATOM 0 H ASP A 50 -10.643 -17.053 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.746 -18.819 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.115 -18.684 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.485 -18.343 -3.787 1.00 0.00 H new ATOM 740 N GLY A 51 -7.927 -17.120 -0.268 1.00 0.00 N ATOM 741 CA GLY A 51 -6.971 -16.857 0.826 1.00 0.00 C ATOM 742 C GLY A 51 -6.191 -15.546 0.646 1.00 0.00 C ATOM 743 O GLY A 51 -5.699 -14.980 1.623 1.00 0.00 O ATOM 0 H GLY A 51 -8.641 -16.395 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.512 -16.824 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.266 -17.686 0.891 1.00 0.00 H new ATOM 747 N GLU A 52 -6.109 -15.033 -0.583 1.00 0.00 N ATOM 748 CA GLU A 52 -5.509 -13.740 -0.915 1.00 0.00 C ATOM 749 C GLU A 52 -6.469 -12.621 -0.489 1.00 0.00 C ATOM 750 O GLU A 52 -7.670 -12.698 -0.748 1.00 0.00 O ATOM 751 CB GLU A 52 -5.208 -13.667 -2.430 1.00 0.00 C ATOM 752 CG GLU A 52 -4.646 -12.323 -2.937 1.00 0.00 C ATOM 753 CD GLU A 52 -4.462 -12.266 -4.474 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.903 -13.182 -5.213 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.883 -11.268 -4.970 1.00 0.00 O ATOM 0 H GLU A 52 -6.471 -15.523 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.566 -13.620 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.496 -14.454 -2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.127 -13.884 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.316 -11.520 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.685 -12.137 -2.458 1.00 0.00 H new ATOM 762 N GLU A 53 -5.942 -11.562 0.117 1.00 0.00 N ATOM 763 CA GLU A 53 -6.672 -10.367 0.535 1.00 0.00 C ATOM 764 C GLU A 53 -6.108 -9.162 -0.222 1.00 0.00 C ATOM 765 O GLU A 53 -4.897 -8.955 -0.251 1.00 0.00 O ATOM 766 CB GLU A 53 -6.556 -10.143 2.052 1.00 0.00 C ATOM 767 CG GLU A 53 -7.153 -11.284 2.886 1.00 0.00 C ATOM 768 CD GLU A 53 -7.118 -10.957 4.393 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.817 -10.012 4.835 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.397 -11.647 5.155 1.00 0.00 O ATOM 0 H GLU A 53 -4.948 -11.510 0.341 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.729 -10.496 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.505 -10.023 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.058 -9.211 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.182 -11.464 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.598 -12.203 2.698 1.00 0.00 H new ATOM 777 N ILE A 54 -6.967 -8.355 -0.841 1.00 0.00 N ATOM 778 CA ILE A 54 -6.568 -7.199 -1.635 1.00 0.00 C ATOM 779 C ILE A 54 -7.257 -5.950 -1.095 1.00 0.00 C ATOM 780 O ILE A 54 -8.441 -5.992 -0.764 1.00 0.00 O ATOM 781 CB ILE A 54 -6.903 -7.413 -3.131 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.322 -8.728 -3.709 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.323 -6.230 -3.910 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.307 -9.908 -3.693 1.00 0.00 C ATOM 0 H ILE A 54 -7.977 -8.490 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.488 -7.070 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.987 -7.483 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.000 -8.551 -4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.434 -9.002 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.542 -6.350 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.770 -5.303 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.243 -6.193 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.825 -10.790 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.610 -10.115 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.185 -9.657 -4.287 1.00 0.00 H new ATOM 796 N VAL A 55 -6.531 -4.835 -1.035 1.00 0.00 N ATOM 797 CA VAL A 55 -7.034 -3.531 -0.594 1.00 0.00 C ATOM 798 C VAL A 55 -6.598 -2.469 -1.597 1.00 0.00 C ATOM 799 O VAL A 55 -5.404 -2.237 -1.786 1.00 0.00 O ATOM 800 CB VAL A 55 -6.480 -3.183 0.799 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.058 -1.859 1.305 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.785 -4.282 1.825 1.00 0.00 C ATOM 0 H VAL A 55 -5.546 -4.811 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.122 -3.567 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.399 -3.093 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.650 -1.637 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.793 -1.059 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.143 -1.937 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.377 -3.998 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.864 -4.412 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.331 -5.218 1.501 1.00 0.00 H new ATOM 812 N THR A 56 -7.560 -1.808 -2.237 1.00 0.00 N ATOM 813 CA THR A 56 -7.300 -0.721 -3.196 1.00 0.00 C ATOM 814 C THR A 56 -7.986 0.586 -2.784 1.00 0.00 C ATOM 815 O THR A 56 -9.155 0.578 -2.396 1.00 0.00 O ATOM 816 CB THR A 56 -7.605 -1.153 -4.639 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.983 -1.395 -4.833 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.861 -2.447 -5.005 1.00 0.00 C ATOM 0 H THR A 56 -8.552 -2.008 -2.108 1.00 0.00 H new ATOM 0 HA THR A 56 -6.232 -0.505 -3.171 1.00 0.00 H new ATOM 0 HB THR A 56 -7.275 -0.330 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.140 -1.666 -5.762 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.098 -2.725 -6.032 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.787 -2.288 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.170 -3.247 -4.332 1.00 0.00 H new ATOM 826 N TYR A 57 -7.288 1.721 -2.857 1.00 0.00 N ATOM 827 CA TYR A 57 -7.841 3.042 -2.522 1.00 0.00 C ATOM 828 C TYR A 57 -7.145 4.204 -3.253 1.00 0.00 C ATOM 829 O TYR A 57 -6.302 4.004 -4.132 1.00 0.00 O ATOM 830 CB TYR A 57 -7.876 3.250 -1.000 1.00 0.00 C ATOM 831 CG TYR A 57 -6.571 3.265 -0.221 1.00 0.00 C ATOM 832 CD1 TYR A 57 -6.079 2.065 0.328 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.922 4.482 0.074 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.975 2.084 1.201 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.814 4.504 0.943 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.349 3.306 1.529 1.00 0.00 C ATOM 837 OH TYR A 57 -3.333 3.329 2.434 1.00 0.00 O ATOM 0 H TYR A 57 -6.312 1.753 -3.153 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.867 3.052 -2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.382 4.197 -0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.501 2.464 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.551 1.126 0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.276 5.401 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.606 1.160 1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.319 5.439 1.162 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.013 4.249 2.544 1.00 0.00 H new ATOM 847 N ASP A 58 -7.470 5.433 -2.852 1.00 0.00 N ATOM 848 CA ASP A 58 -6.952 6.669 -3.428 1.00 0.00 C ATOM 849 C ASP A 58 -6.719 7.685 -2.290 1.00 0.00 C ATOM 850 O ASP A 58 -7.359 7.616 -1.236 1.00 0.00 O ATOM 851 CB ASP A 58 -8.036 7.269 -4.362 1.00 0.00 C ATOM 852 CG ASP A 58 -8.324 6.526 -5.684 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.600 5.303 -5.684 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.370 7.200 -6.740 1.00 0.00 O ATOM 0 H ASP A 58 -8.126 5.599 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.028 6.467 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.968 7.331 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.743 8.290 -4.606 1.00 0.00 H new ATOM 859 N HIS A 59 -5.855 8.672 -2.537 1.00 0.00 N ATOM 860 CA HIS A 59 -5.544 9.772 -1.615 1.00 0.00 C ATOM 861 C HIS A 59 -6.070 11.075 -2.230 1.00 0.00 C ATOM 862 O HIS A 59 -5.977 11.264 -3.441 1.00 0.00 O ATOM 863 CB HIS A 59 -4.032 9.883 -1.353 1.00 0.00 C ATOM 864 CG HIS A 59 -3.343 8.635 -0.840 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.964 8.384 0.465 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.758 7.660 -1.611 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.160 7.305 0.467 1.00 0.00 C ATOM 868 NE2 HIS A 59 -2.003 6.826 -0.776 1.00 0.00 N ATOM 0 H HIS A 59 -5.334 8.732 -3.412 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.023 9.579 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.546 10.185 -2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.868 10.684 -0.632 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.245 8.923 1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.863 7.554 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.703 6.882 1.350 1.00 0.00 H new ATOM 876 N LEU A 60 -6.623 11.978 -1.420 1.00 0.00 N ATOM 877 CA LEU A 60 -7.246 13.229 -1.864 1.00 0.00 C ATOM 878 C LEU A 60 -6.755 14.406 -1.031 1.00 0.00 C ATOM 879 O LEU A 60 -6.738 14.321 0.193 1.00 0.00 O ATOM 880 CB LEU A 60 -8.783 13.167 -1.733 1.00 0.00 C ATOM 881 CG LEU A 60 -9.508 12.294 -2.768 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.551 10.818 -2.376 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.966 12.739 -2.893 1.00 0.00 C ATOM 0 H LEU A 60 -6.652 11.858 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.968 13.364 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.029 12.797 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.176 14.181 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.950 12.411 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.076 10.252 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.534 10.438 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.074 10.709 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.475 12.116 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.461 12.638 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.002 13.781 -3.212 1.00 0.00 H new ATOM 895 N CYS A 61 -6.407 15.507 -1.688 1.00 0.00 N ATOM 896 CA CYS A 61 -5.967 16.743 -1.053 1.00 0.00 C ATOM 897 C CYS A 61 -7.060 17.296 -0.121 1.00 0.00 C ATOM 898 O CYS A 61 -8.183 17.556 -0.547 1.00 0.00 O ATOM 899 CB CYS A 61 -5.603 17.698 -2.204 1.00 0.00 C ATOM 900 SG CYS A 61 -4.609 19.121 -1.664 1.00 0.00 S ATOM 0 H CYS A 61 -6.424 15.565 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.101 16.596 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.052 17.146 -2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.519 18.059 -2.672 1.00 0.00 H new ATOM 905 N LYS A 62 -6.770 17.496 1.170 1.00 0.00 N ATOM 906 CA LYS A 62 -7.743 18.068 2.126 1.00 0.00 C ATOM 907 C LYS A 62 -8.156 19.507 1.730 1.00 0.00 C ATOM 908 O LYS A 62 -9.148 20.024 2.246 1.00 0.00 O ATOM 909 CB LYS A 62 -7.140 17.971 3.546 1.00 0.00 C ATOM 910 CG LYS A 62 -7.778 18.789 4.683 1.00 0.00 C ATOM 911 CD LYS A 62 -9.209 18.361 5.024 1.00 0.00 C ATOM 912 CE LYS A 62 -9.785 19.299 6.093 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.162 18.904 6.493 1.00 0.00 N ATOM 0 H LYS A 62 -5.866 17.271 1.585 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.672 17.498 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.162 16.922 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.092 18.262 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.159 18.698 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.781 19.842 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.831 18.388 4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.216 17.333 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.137 19.293 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.796 20.320 5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.516 19.562 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.787 18.934 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.148 17.939 6.880 1.00 0.00 H new ATOM 927 N ASN A 63 -7.436 20.148 0.802 1.00 0.00 N ATOM 928 CA ASN A 63 -7.695 21.506 0.343 1.00 0.00 C ATOM 929 C ASN A 63 -8.547 21.531 -0.939 1.00 0.00 C ATOM 930 O ASN A 63 -9.689 21.996 -0.890 1.00 0.00 O ATOM 931 CB ASN A 63 -6.346 22.216 0.171 1.00 0.00 C ATOM 932 CG ASN A 63 -6.533 23.644 -0.286 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.062 24.478 0.438 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.062 24.000 -1.451 1.00 0.00 N ATOM 0 H ASN A 63 -6.635 19.718 0.340 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.289 22.040 1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.802 22.202 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.738 21.676 -0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.135 24.971 -1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.621 23.307 -2.056 1.00 0.00 H new ATOM 941 N CYS A 64 -8.026 21.030 -2.064 1.00 0.00 N ATOM 942 CA CYS A 64 -8.717 21.021 -3.357 1.00 0.00 C ATOM 943 C CYS A 64 -9.464 19.706 -3.687 1.00 0.00 C ATOM 944 O CYS A 64 -10.179 19.638 -4.694 1.00 0.00 O ATOM 945 CB CYS A 64 -7.718 21.435 -4.460 1.00 0.00 C ATOM 946 SG CYS A 64 -6.225 20.385 -4.567 1.00 0.00 S ATOM 0 H CYS A 64 -7.096 20.612 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.524 21.752 -3.299 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.230 21.415 -5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.410 22.466 -4.285 1.00 0.00 H new ATOM 951 N HIS A 65 -9.338 18.667 -2.846 1.00 0.00 N ATOM 952 CA HIS A 65 -9.933 17.322 -3.015 1.00 0.00 C ATOM 953 C HIS A 65 -9.628 16.635 -4.354 1.00 0.00 C ATOM 954 O HIS A 65 -10.282 15.667 -4.744 1.00 0.00 O ATOM 955 CB HIS A 65 -11.400 17.286 -2.564 1.00 0.00 C ATOM 956 CG HIS A 65 -11.542 17.596 -1.092 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.851 18.829 -0.544 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.314 16.725 -0.058 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.827 18.708 0.799 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.514 17.433 1.115 1.00 0.00 N ATOM 0 H HIS A 65 -8.793 18.741 -1.987 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.403 16.669 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.977 18.006 -3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.820 16.301 -2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.032 15.686 -0.142 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.025 19.500 1.505 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.438 17.055 2.059 1.00 0.00 H new ATOM 969 N HIS A 66 -8.569 17.086 -5.016 1.00 0.00 N ATOM 970 CA HIS A 66 -7.987 16.448 -6.187 1.00 0.00 C ATOM 971 C HIS A 66 -7.358 15.117 -5.726 1.00 0.00 C ATOM 972 O HIS A 66 -6.841 15.032 -4.607 1.00 0.00 O ATOM 973 CB HIS A 66 -6.940 17.396 -6.757 1.00 0.00 C ATOM 974 CG HIS A 66 -5.624 16.776 -7.100 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.271 16.195 -8.298 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.488 16.956 -6.362 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.929 16.133 -8.322 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.418 16.635 -7.183 1.00 0.00 N ATOM 0 H HIS A 66 -8.076 17.936 -4.741 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.725 16.238 -6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.347 17.860 -7.655 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.768 18.194 -6.035 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.907 15.873 -9.028 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.434 17.286 -5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.344 15.737 -9.139 1.00 0.00 H new ATOM 986 N VAL A 67 -7.373 14.081 -6.570 1.00 0.00 N ATOM 987 CA VAL A 67 -6.753 12.793 -6.236 1.00 0.00 C ATOM 988 C VAL A 67 -5.229 12.901 -6.360 1.00 0.00 C ATOM 989 O VAL A 67 -4.681 12.915 -7.465 1.00 0.00 O ATOM 990 CB VAL A 67 -7.320 11.650 -7.095 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.644 10.325 -6.745 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.829 11.476 -6.863 1.00 0.00 C ATOM 0 H VAL A 67 -7.809 14.108 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.995 12.549 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.130 11.913 -8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.060 9.530 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.572 10.404 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.817 10.095 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.201 10.661 -7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.012 11.245 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.346 12.398 -7.127 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.556 12.968 -5.209 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.096 13.074 -5.076 1.00 0.00 C ATOM 1004 C ILE A 68 -2.390 11.850 -5.679 1.00 0.00 C ATOM 1005 O ILE A 68 -1.400 11.978 -6.405 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.741 13.236 -3.578 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.155 14.666 -3.169 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.254 12.958 -3.261 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.975 14.962 -1.686 1.00 0.00 C ATOM 0 H ILE A 68 -5.030 12.949 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.748 13.946 -5.629 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.282 12.488 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.569 15.382 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.200 14.821 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.079 13.091 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.006 11.935 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.627 13.652 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.288 15.985 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.582 14.272 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.926 14.841 -1.416 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.891 10.653 -5.354 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.302 9.374 -5.744 1.00 0.00 C ATOM 1023 C ALA A 69 -3.290 8.197 -5.602 1.00 0.00 C ATOM 1024 O ALA A 69 -4.339 8.324 -4.962 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.081 9.171 -4.826 1.00 0.00 C ATOM 0 H ALA A 69 -3.740 10.548 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.025 9.395 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.595 8.226 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.376 9.990 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.407 9.153 -3.786 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.922 7.032 -6.154 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.653 5.758 -6.052 1.00 0.00 C ATOM 1033 C ARG A 70 -2.783 4.737 -5.322 1.00 0.00 C ATOM 1034 O ARG A 70 -1.583 4.666 -5.591 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.017 5.197 -7.435 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.362 5.689 -7.970 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.312 7.091 -8.584 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.676 7.532 -8.905 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.132 8.151 -9.973 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.374 8.467 -10.985 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.391 8.472 -10.025 1.00 0.00 N ATOM 0 H ARG A 70 -2.070 6.947 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.577 5.946 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.234 5.468 -8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.035 4.108 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.721 4.987 -8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.088 5.685 -7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.847 7.789 -7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.699 7.084 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.376 7.327 -8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.381 8.234 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.774 8.947 -11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.008 8.244 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.761 8.952 -10.845 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.416 3.945 -4.457 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.794 2.934 -3.594 1.00 0.00 C ATOM 1057 C HIS A 71 -3.378 1.540 -3.808 1.00 0.00 C ATOM 1058 O HIS A 71 -4.594 1.359 -3.903 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.060 3.321 -2.129 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.148 2.669 -1.109 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.162 3.369 -0.409 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.112 1.351 -0.718 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.555 2.471 0.379 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.120 1.259 0.237 1.00 0.00 N ATOM 0 H HIS A 71 -4.427 3.991 -4.331 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.732 2.904 -3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.968 4.403 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.091 3.066 -1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.735 0.549 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.273 2.690 1.037 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.860 0.415 0.748 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.517 0.533 -3.814 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.890 -0.871 -3.891 1.00 0.00 C ATOM 1074 C GLU A 72 -1.984 -1.678 -2.957 1.00 0.00 C ATOM 1075 O GLU A 72 -0.762 -1.564 -2.994 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.790 -1.360 -5.349 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.845 -2.888 -5.458 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.025 -3.334 -6.922 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.184 -3.433 -7.392 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.010 -3.590 -7.614 1.00 0.00 O ATOM 0 H GLU A 72 -1.508 0.675 -3.764 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.923 -1.008 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.604 -0.927 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.859 -1.001 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.928 -3.318 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.669 -3.269 -4.855 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.589 -2.530 -2.137 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.911 -3.478 -1.265 1.00 0.00 C ATOM 1089 C TYR A 73 -2.566 -4.837 -1.497 1.00 0.00 C ATOM 1090 O TYR A 73 -3.787 -4.965 -1.413 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.018 -3.042 0.198 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.806 -4.163 1.205 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.555 -4.800 1.355 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.901 -4.603 1.969 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.393 -5.843 2.286 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.741 -5.627 2.918 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.480 -6.236 3.097 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.311 -7.196 4.046 1.00 0.00 O ATOM 0 H TYR A 73 -3.605 -2.580 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.846 -3.529 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.284 -2.258 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.002 -2.603 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.283 -4.485 0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.871 -4.151 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.560 -6.342 2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.584 -5.949 3.511 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.551 -7.765 3.804 1.00 0.00 H new ATOM 1108 N THR A 74 -1.772 -5.854 -1.803 1.00 0.00 N ATOM 1109 CA THR A 74 -2.270 -7.215 -2.040 1.00 0.00 C ATOM 1110 C THR A 74 -1.459 -8.187 -1.178 1.00 0.00 C ATOM 1111 O THR A 74 -0.236 -8.085 -1.055 1.00 0.00 O ATOM 1112 CB THR A 74 -2.260 -7.616 -3.533 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.048 -8.222 -3.921 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.465 -6.447 -4.512 1.00 0.00 C ATOM 0 H THR A 74 -0.760 -5.765 -1.896 1.00 0.00 H new ATOM 0 HA THR A 74 -3.320 -7.254 -1.750 1.00 0.00 H new ATOM 0 HB THR A 74 -3.102 -8.305 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.315 -7.580 -3.822 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.443 -6.821 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.428 -5.975 -4.319 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.669 -5.715 -4.377 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.145 -9.122 -0.535 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.545 -10.121 0.351 1.00 0.00 C ATOM 1124 C PHE A 75 -2.012 -11.531 -0.052 1.00 0.00 C ATOM 1125 O PHE A 75 -3.210 -11.758 -0.138 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.933 -9.798 1.798 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.721 -10.965 2.730 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.419 -11.274 3.139 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.790 -11.811 3.092 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.175 -12.409 3.914 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.540 -12.967 3.850 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.228 -13.271 4.254 1.00 0.00 C ATOM 0 H PHE A 75 -3.158 -9.213 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.459 -10.095 0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.346 -8.948 2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.980 -9.497 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.401 -10.631 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.798 -11.571 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.828 -12.624 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.355 -13.622 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.031 -14.166 4.825 1.00 0.00 H new ATOM 1142 N SER A 76 -1.103 -12.481 -0.274 1.00 0.00 N ATOM 1143 CA SER A 76 -1.367 -13.862 -0.737 1.00 0.00 C ATOM 1144 C SER A 76 -0.725 -14.935 0.142 1.00 0.00 C ATOM 1145 O SER A 76 0.391 -14.766 0.610 1.00 0.00 O ATOM 1146 CB SER A 76 -0.821 -14.060 -2.161 1.00 0.00 C ATOM 1147 OG SER A 76 -1.783 -13.743 -3.146 1.00 0.00 O ATOM 0 H SER A 76 -0.108 -12.308 -0.131 1.00 0.00 H new ATOM 0 HA SER A 76 -2.450 -13.978 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.061 -13.435 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.502 -15.095 -2.286 1.00 0.00 H new ATOM 0 HG SER A 76 -1.397 -13.880 -4.036 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.395 -16.069 0.353 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.822 -17.218 1.090 1.00 0.00 C ATOM 1155 C ILE A 77 -0.552 -18.377 0.120 1.00 0.00 C ATOM 1156 O ILE A 77 -1.473 -18.857 -0.543 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.711 -17.652 2.275 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.970 -16.433 3.183 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.052 -18.836 3.013 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.442 -16.742 4.606 1.00 0.00 C ATOM 0 H ILE A 77 -2.347 -16.226 0.023 1.00 0.00 H new ATOM 0 HA ILE A 77 0.127 -16.905 1.526 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.681 -18.006 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.051 -15.850 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.717 -15.800 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.682 -19.140 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.933 -19.673 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.074 -18.533 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.591 -15.810 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.381 -17.293 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.690 -17.344 5.116 1.00 0.00 H new ATOM 1172 N MET A 78 0.707 -18.827 0.048 1.00 0.00 N ATOM 1173 CA MET A 78 1.144 -19.956 -0.786 1.00 0.00 C ATOM 1174 C MET A 78 1.752 -21.114 0.020 1.00 0.00 C ATOM 1175 O MET A 78 2.824 -20.957 0.595 1.00 0.00 O ATOM 1176 CB MET A 78 2.091 -19.488 -1.909 1.00 0.00 C ATOM 1177 CG MET A 78 3.247 -18.578 -1.454 1.00 0.00 C ATOM 1178 SD MET A 78 4.678 -18.480 -2.572 1.00 0.00 S ATOM 1179 CE MET A 78 3.877 -18.295 -4.187 1.00 0.00 C ATOM 0 H MET A 78 1.469 -18.407 0.580 1.00 0.00 H new ATOM 0 HA MET A 78 0.242 -20.358 -1.246 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.512 -20.367 -2.397 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.505 -18.957 -2.659 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.855 -17.571 -1.310 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.595 -18.926 -0.481 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.631 -18.081 -4.945 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.357 -19.218 -4.443 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.161 -17.474 -4.146 1.00 0.00 H new ATOM 1189 N ASP A 79 1.106 -22.286 0.001 1.00 0.00 N ATOM 1190 CA ASP A 79 1.506 -23.562 0.635 1.00 0.00 C ATOM 1191 C ASP A 79 1.905 -23.507 2.128 1.00 0.00 C ATOM 1192 O ASP A 79 1.144 -23.951 2.990 1.00 0.00 O ATOM 1193 CB ASP A 79 2.626 -24.211 -0.195 1.00 0.00 C ATOM 1194 CG ASP A 79 2.161 -24.609 -1.606 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.336 -25.547 -1.727 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.626 -24.000 -2.600 1.00 0.00 O ATOM 0 H ASP A 79 0.220 -22.381 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 79 0.598 -24.165 0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.463 -23.517 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.993 -25.095 0.326 1.00 0.00 H new ATOM 1201 N GLU A 80 3.081 -22.958 2.442 1.00 0.00 N ATOM 1202 CA GLU A 80 3.656 -22.811 3.787 1.00 0.00 C ATOM 1203 C GLU A 80 4.181 -21.389 4.044 1.00 0.00 C ATOM 1204 O GLU A 80 4.847 -21.160 5.052 1.00 0.00 O ATOM 1205 CB GLU A 80 4.847 -23.768 3.989 1.00 0.00 C ATOM 1206 CG GLU A 80 4.639 -25.235 3.593 1.00 0.00 C ATOM 1207 CD GLU A 80 3.519 -25.958 4.373 1.00 0.00 C ATOM 1208 OE1 GLU A 80 3.305 -25.670 5.576 1.00 0.00 O ATOM 1209 OE2 GLU A 80 2.884 -26.877 3.798 1.00 0.00 O ATOM 0 H GLU A 80 3.697 -22.580 1.722 1.00 0.00 H new ATOM 0 HA GLU A 80 2.845 -23.040 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.692 -23.381 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.130 -23.738 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.411 -25.282 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.574 -25.774 3.742 1.00 0.00 H new ATOM 1216 N PHE A 81 3.949 -20.428 3.145 1.00 0.00 N ATOM 1217 CA PHE A 81 4.493 -19.077 3.300 1.00 0.00 C ATOM 1218 C PHE A 81 3.386 -18.040 3.056 1.00 0.00 C ATOM 1219 O PHE A 81 2.309 -18.343 2.533 1.00 0.00 O ATOM 1220 CB PHE A 81 5.608 -18.809 2.264 1.00 0.00 C ATOM 1221 CG PHE A 81 6.425 -19.993 1.783 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.141 -20.830 2.657 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.390 -20.293 0.411 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.842 -21.941 2.149 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.073 -21.405 -0.100 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.810 -22.229 0.771 1.00 0.00 C ATOM 0 H PHE A 81 3.389 -20.561 2.303 1.00 0.00 H new ATOM 0 HA PHE A 81 4.893 -18.997 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.150 -18.342 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.295 -18.080 2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.153 -20.621 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.829 -19.658 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.406 -22.574 2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.034 -21.628 -1.156 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.350 -23.080 0.383 1.00 0.00 H new ATOM 1236 N GLN A 82 3.694 -16.786 3.357 1.00 0.00 N ATOM 1237 CA GLN A 82 2.831 -15.633 3.126 1.00 0.00 C ATOM 1238 C GLN A 82 3.566 -14.622 2.256 1.00 0.00 C ATOM 1239 O GLN A 82 4.757 -14.417 2.438 1.00 0.00 O ATOM 1240 CB GLN A 82 2.432 -14.961 4.442 1.00 0.00 C ATOM 1241 CG GLN A 82 2.255 -15.860 5.662 1.00 0.00 C ATOM 1242 CD GLN A 82 1.547 -15.131 6.799 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.366 -15.316 7.057 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.238 -14.274 7.517 1.00 0.00 N ATOM 0 H GLN A 82 4.585 -16.533 3.785 1.00 0.00 H new ATOM 0 HA GLN A 82 1.926 -15.981 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.188 -14.213 4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.496 -14.427 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.682 -16.744 5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.230 -16.207 6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.224 -14.113 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.789 -13.770 8.282 1.00 0.00 H new ATOM 1253 N GLU A 83 2.852 -13.954 1.365 1.00 0.00 N ATOM 1254 CA GLU A 83 3.344 -12.963 0.412 1.00 0.00 C ATOM 1255 C GLU A 83 2.626 -11.640 0.633 1.00 0.00 C ATOM 1256 O GLU A 83 1.399 -11.580 0.672 1.00 0.00 O ATOM 1257 CB GLU A 83 3.058 -13.395 -1.041 1.00 0.00 C ATOM 1258 CG GLU A 83 4.134 -14.281 -1.665 1.00 0.00 C ATOM 1259 CD GLU A 83 3.822 -14.579 -3.148 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.677 -14.980 -3.471 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.720 -14.401 -4.007 1.00 0.00 O ATOM 0 H GLU A 83 1.846 -14.097 1.280 1.00 0.00 H new ATOM 0 HA GLU A 83 4.419 -12.867 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.107 -13.928 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.940 -12.502 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.104 -13.790 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.205 -15.217 -1.110 1.00 0.00 H new ATOM 1268 N TYR A 84 3.401 -10.572 0.719 1.00 0.00 N ATOM 1269 CA TYR A 84 2.925 -9.207 0.899 1.00 0.00 C ATOM 1270 C TYR A 84 3.430 -8.351 -0.246 1.00 0.00 C ATOM 1271 O TYR A 84 4.626 -8.374 -0.535 1.00 0.00 O ATOM 1272 CB TYR A 84 3.491 -8.642 2.198 1.00 0.00 C ATOM 1273 CG TYR A 84 2.951 -9.317 3.442 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.543 -10.502 3.931 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.804 -8.791 4.066 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.005 -11.150 5.061 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.290 -9.408 5.222 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.897 -10.581 5.731 1.00 0.00 C ATOM 1279 OH TYR A 84 1.389 -11.192 6.836 1.00 0.00 O ATOM 0 H TYR A 84 4.418 -10.632 0.663 1.00 0.00 H new ATOM 0 HA TYR A 84 1.835 -9.205 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.576 -8.740 2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.268 -7.576 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.411 -10.913 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.319 -7.916 3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.436 -12.075 5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.431 -8.986 5.722 1.00 0.00 H new ATOM 0 HH TYR A 84 0.631 -10.673 7.177 1.00 0.00 H new ATOM 1289 N THR A 85 2.551 -7.593 -0.896 1.00 0.00 N ATOM 1290 CA THR A 85 2.954 -6.689 -1.974 1.00 0.00 C ATOM 1291 C THR A 85 2.167 -5.380 -1.850 1.00 0.00 C ATOM 1292 O THR A 85 0.990 -5.360 -1.494 1.00 0.00 O ATOM 1293 CB THR A 85 2.807 -7.298 -3.391 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.550 -7.059 -3.976 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.980 -8.825 -3.444 1.00 0.00 C ATOM 0 H THR A 85 1.551 -7.586 -0.695 1.00 0.00 H new ATOM 0 HA THR A 85 4.021 -6.500 -1.857 1.00 0.00 H new ATOM 0 HB THR A 85 3.608 -6.796 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.521 -7.466 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.862 -9.169 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.974 -9.091 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.227 -9.299 -2.814 1.00 0.00 H new ATOM 1303 N MET A 86 2.812 -4.263 -2.140 1.00 0.00 N ATOM 1304 CA MET A 86 2.240 -2.919 -2.129 1.00 0.00 C ATOM 1305 C MET A 86 2.735 -2.148 -3.351 1.00 0.00 C ATOM 1306 O MET A 86 3.865 -2.330 -3.806 1.00 0.00 O ATOM 1307 CB MET A 86 2.613 -2.230 -0.814 1.00 0.00 C ATOM 1308 CG MET A 86 2.153 -0.773 -0.739 1.00 0.00 C ATOM 1309 SD MET A 86 2.628 0.081 0.786 1.00 0.00 S ATOM 1310 CE MET A 86 4.334 0.530 0.358 1.00 0.00 C ATOM 0 H MET A 86 3.798 -4.264 -2.403 1.00 0.00 H new ATOM 0 HA MET A 86 1.152 -2.958 -2.187 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.174 -2.785 0.015 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.695 -2.269 -0.686 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.565 -0.230 -1.589 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.068 -0.741 -0.836 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.905 0.703 1.270 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.792 -0.281 -0.208 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.331 1.438 -0.246 1.00 0.00 H new ATOM 1320 N LEU A 87 1.864 -1.291 -3.869 1.00 0.00 N ATOM 1321 CA LEU A 87 2.078 -0.436 -5.034 1.00 0.00 C ATOM 1322 C LEU A 87 1.226 0.848 -4.918 1.00 0.00 C ATOM 1323 O LEU A 87 0.013 0.830 -5.130 1.00 0.00 O ATOM 1324 CB LEU A 87 1.682 -1.235 -6.290 1.00 0.00 C ATOM 1325 CG LEU A 87 2.048 -0.528 -7.595 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.474 -0.866 -7.999 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.116 -0.910 -8.742 1.00 0.00 C ATOM 0 H LEU A 87 0.936 -1.166 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 87 3.124 -0.137 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.171 -2.209 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.608 -1.418 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 87 1.947 0.541 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.719 -0.355 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.160 -0.543 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.566 -1.943 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.417 -0.382 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.172 -1.985 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.093 -0.636 -8.486 1.00 0.00 H new ATOM 1339 N CYS A 88 1.871 1.965 -4.604 1.00 0.00 N ATOM 1340 CA CYS A 88 1.280 3.294 -4.475 1.00 0.00 C ATOM 1341 C CYS A 88 2.244 4.354 -5.026 1.00 0.00 C ATOM 1342 O CYS A 88 3.448 4.313 -4.746 1.00 0.00 O ATOM 1343 CB CYS A 88 0.984 3.574 -2.998 1.00 0.00 C ATOM 1344 SG CYS A 88 0.370 5.280 -2.758 1.00 0.00 S ATOM 0 H CYS A 88 2.875 1.970 -4.422 1.00 0.00 H new ATOM 0 HA CYS A 88 0.352 3.335 -5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.243 2.863 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.888 3.424 -2.408 1.00 0.00 H new ATOM 1349 N LEU A 89 1.713 5.313 -5.790 1.00 0.00 N ATOM 1350 CA LEU A 89 2.471 6.439 -6.343 1.00 0.00 C ATOM 1351 C LEU A 89 3.131 7.280 -5.238 1.00 0.00 C ATOM 1352 O LEU A 89 4.245 7.771 -5.436 1.00 0.00 O ATOM 1353 CB LEU A 89 1.522 7.276 -7.230 1.00 0.00 C ATOM 1354 CG LEU A 89 2.067 8.639 -7.695 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.281 8.517 -8.596 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.041 9.430 -8.506 1.00 0.00 C ATOM 0 H LEU A 89 0.726 5.329 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 89 3.292 6.064 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.267 6.688 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.596 7.445 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 89 2.321 9.146 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.618 9.511 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.082 8.006 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.018 7.946 -9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.474 10.383 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.760 8.860 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.157 9.612 -7.895 1.00 0.00 H new ATOM 1368 N LEU A 90 2.477 7.407 -4.082 1.00 0.00 N ATOM 1369 CA LEU A 90 2.961 8.148 -2.923 1.00 0.00 C ATOM 1370 C LEU A 90 3.649 7.222 -1.923 1.00 0.00 C ATOM 1371 O LEU A 90 4.836 7.400 -1.645 1.00 0.00 O ATOM 1372 CB LEU A 90 1.758 8.836 -2.249 1.00 0.00 C ATOM 1373 CG LEU A 90 2.071 9.432 -0.861 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.182 10.472 -0.928 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.825 10.078 -0.260 1.00 0.00 C ATOM 0 H LEU A 90 1.564 6.980 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 90 3.692 8.886 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.396 9.631 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.949 8.113 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 90 2.403 8.607 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.371 10.867 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.091 10.010 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.880 11.285 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.066 10.493 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.476 10.876 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.042 9.328 -0.153 1.00 0.00 H new ATOM 1387 N CYS A 91 2.903 6.289 -1.346 1.00 0.00 N ATOM 1388 CA CYS A 91 3.361 5.429 -0.273 1.00 0.00 C ATOM 1389 C CYS A 91 4.497 4.488 -0.684 1.00 0.00 C ATOM 1390 O CYS A 91 5.416 4.268 0.111 1.00 0.00 O ATOM 1391 CB CYS A 91 2.159 4.693 0.321 1.00 0.00 C ATOM 1392 SG CYS A 91 0.929 5.881 0.939 1.00 0.00 S ATOM 0 H CYS A 91 1.938 6.108 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 91 3.809 6.054 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.707 4.052 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.487 4.044 1.133 1.00 0.00 H new ATOM 1397 N GLY A 92 4.470 3.978 -1.918 1.00 0.00 N ATOM 1398 CA GLY A 92 5.570 3.199 -2.483 1.00 0.00 C ATOM 1399 C GLY A 92 5.244 1.839 -3.086 1.00 0.00 C ATOM 1400 O GLY A 92 4.134 1.321 -2.971 1.00 0.00 O ATOM 0 H GLY A 92 3.681 4.095 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.044 3.803 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.311 3.048 -1.698 1.00 0.00 H new ATOM 1404 N LYS A 93 6.267 1.232 -3.697 1.00 0.00 N ATOM 1405 CA LYS A 93 6.240 -0.125 -4.250 1.00 0.00 C ATOM 1406 C LYS A 93 7.170 -1.032 -3.453 1.00 0.00 C ATOM 1407 O LYS A 93 8.382 -0.818 -3.422 1.00 0.00 O ATOM 1408 CB LYS A 93 6.583 -0.100 -5.741 1.00 0.00 C ATOM 1409 CG LYS A 93 6.785 -1.517 -6.316 1.00 0.00 C ATOM 1410 CD LYS A 93 7.084 -1.518 -7.824 1.00 0.00 C ATOM 1411 CE LYS A 93 8.442 -0.883 -8.155 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.721 -0.922 -9.615 1.00 0.00 N ATOM 0 H LYS A 93 7.170 1.690 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 93 5.234 -0.535 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.784 0.402 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.490 0.485 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.606 -2.003 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.890 -2.110 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.066 -2.543 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.296 -0.977 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.456 0.150 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.231 -1.410 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.646 -0.485 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.732 -1.910 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.981 -0.398 -10.124 1.00 0.00 H new ATOM 1426 N ALA A 94 6.599 -2.037 -2.802 1.00 0.00 N ATOM 1427 CA ALA A 94 7.316 -2.979 -1.954 1.00 0.00 C ATOM 1428 C ALA A 94 6.777 -4.418 -2.024 1.00 0.00 C ATOM 1429 O ALA A 94 5.621 -4.641 -2.383 1.00 0.00 O ATOM 1430 CB ALA A 94 7.282 -2.436 -0.524 1.00 0.00 C ATOM 0 H ALA A 94 5.597 -2.224 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 94 8.341 -3.058 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.812 -3.121 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.762 -1.458 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.247 -2.342 -0.195 1.00 0.00 H new ATOM 1436 N GLU A 95 7.613 -5.399 -1.676 1.00 0.00 N ATOM 1437 CA GLU A 95 7.244 -6.818 -1.613 1.00 0.00 C ATOM 1438 C GLU A 95 8.060 -7.557 -0.537 1.00 0.00 C ATOM 1439 O GLU A 95 9.264 -7.335 -0.393 1.00 0.00 O ATOM 1440 CB GLU A 95 7.453 -7.444 -3.001 1.00 0.00 C ATOM 1441 CG GLU A 95 7.185 -8.953 -3.075 1.00 0.00 C ATOM 1442 CD GLU A 95 7.354 -9.461 -4.521 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.385 -9.391 -5.315 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.464 -9.929 -4.878 1.00 0.00 O ATOM 0 H GLU A 95 8.586 -5.227 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 95 6.195 -6.909 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.801 -6.938 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.479 -7.256 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.871 -9.483 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.176 -9.167 -2.724 1.00 0.00 H new ATOM 1451 N ASP A 96 7.400 -8.443 0.213 1.00 0.00 N ATOM 1452 CA ASP A 96 7.979 -9.285 1.261 1.00 0.00 C ATOM 1453 C ASP A 96 7.361 -10.691 1.263 1.00 0.00 C ATOM 1454 O ASP A 96 6.195 -10.857 0.905 1.00 0.00 O ATOM 1455 CB ASP A 96 7.754 -8.641 2.639 1.00 0.00 C ATOM 1456 CG ASP A 96 8.667 -9.268 3.702 1.00 0.00 C ATOM 1457 OD1 ASP A 96 9.903 -9.292 3.488 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.158 -9.726 4.749 1.00 0.00 O ATOM 0 H ASP A 96 6.398 -8.600 0.100 1.00 0.00 H new ATOM 0 HA ASP A 96 9.046 -9.374 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.945 -7.570 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.712 -8.762 2.934 1.00 0.00 H new ATOM 1463 N THR A 97 8.106 -11.701 1.721 1.00 0.00 N ATOM 1464 CA THR A 97 7.588 -13.070 1.881 1.00 0.00 C ATOM 1465 C THR A 97 8.045 -13.666 3.216 1.00 0.00 C ATOM 1466 O THR A 97 9.217 -13.543 3.581 1.00 0.00 O ATOM 1467 CB THR A 97 7.987 -14.005 0.726 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.027 -13.348 -0.527 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.988 -15.149 0.577 1.00 0.00 C ATOM 0 H THR A 97 9.084 -11.597 1.992 1.00 0.00 H new ATOM 0 HA THR A 97 6.501 -12.990 1.866 1.00 0.00 H new ATOM 0 HB THR A 97 8.982 -14.367 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.287 -13.987 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.294 -15.794 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.958 -15.728 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.998 -14.743 0.371 1.00 0.00 H new ATOM 1477 N ILE A 98 7.127 -14.302 3.954 1.00 0.00 N ATOM 1478 CA ILE A 98 7.366 -14.891 5.283 1.00 0.00 C ATOM 1479 C ILE A 98 7.038 -16.381 5.280 1.00 0.00 C ATOM 1480 O ILE A 98 5.916 -16.763 4.965 1.00 0.00 O ATOM 1481 CB ILE A 98 6.498 -14.208 6.367 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.451 -12.676 6.213 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.008 -14.603 7.759 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.680 -11.925 7.309 1.00 0.00 C ATOM 0 H ILE A 98 6.166 -14.426 3.635 1.00 0.00 H new ATOM 0 HA ILE A 98 8.421 -14.739 5.512 1.00 0.00 H new ATOM 0 HB ILE A 98 5.474 -14.559 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.473 -12.299 6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.001 -12.439 5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.396 -14.121 8.521 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.947 -15.685 7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.044 -14.284 7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.708 -10.855 7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.644 -12.264 7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.139 -12.122 8.277 1.00 0.00 H new ATOM 1496 N SER A 99 7.969 -17.227 5.696 1.00 0.00 N ATOM 1497 CA SER A 99 7.721 -18.667 5.845 1.00 0.00 C ATOM 1498 C SER A 99 7.047 -18.940 7.195 1.00 0.00 C ATOM 1499 O SER A 99 7.479 -18.416 8.226 1.00 0.00 O ATOM 1500 CB SER A 99 9.013 -19.467 5.651 1.00 0.00 C ATOM 1501 OG SER A 99 10.084 -18.970 6.443 1.00 0.00 O ATOM 0 H SER A 99 8.917 -16.943 5.941 1.00 0.00 H new ATOM 0 HA SER A 99 7.037 -19.002 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.832 -20.511 5.905 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.299 -19.440 4.600 1.00 0.00 H new ATOM 0 HG SER A 99 10.885 -19.512 6.287 1.00 0.00 H new ATOM 1507 N ILE A 100 5.978 -19.740 7.197 1.00 0.00 N ATOM 1508 CA ILE A 100 5.160 -20.043 8.383 1.00 0.00 C ATOM 1509 C ILE A 100 4.898 -21.550 8.567 1.00 0.00 C ATOM 1510 O ILE A 100 5.415 -22.396 7.832 1.00 0.00 O ATOM 1511 CB ILE A 100 3.872 -19.166 8.409 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.956 -19.232 7.166 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.254 -17.690 8.635 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.191 -20.547 6.995 1.00 0.00 C ATOM 0 H ILE A 100 5.646 -20.209 6.354 1.00 0.00 H new ATOM 0 HA ILE A 100 5.740 -19.767 9.264 1.00 0.00 H new ATOM 0 HB ILE A 100 3.289 -19.592 9.225 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.237 -18.415 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.563 -19.064 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.351 -17.079 8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.778 -17.591 9.586 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.903 -17.354 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.577 -20.496 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.899 -21.371 6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.552 -20.712 7.862 1.00 0.00 H new ATOM 1526 N LEU A 101 4.118 -21.886 9.595 1.00 0.00 N ATOM 1527 CA LEU A 101 3.747 -23.237 10.020 1.00 0.00 C ATOM 1528 C LEU A 101 2.237 -23.309 10.329 1.00 0.00 C ATOM 1529 O LEU A 101 1.621 -22.259 10.549 1.00 0.00 O ATOM 1530 CB LEU A 101 4.574 -23.538 11.289 1.00 0.00 C ATOM 1531 CG LEU A 101 6.079 -23.778 11.061 1.00 0.00 C ATOM 1532 CD1 LEU A 101 6.780 -23.932 12.411 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.350 -25.041 10.241 1.00 0.00 C ATOM 0 H LEU A 101 3.700 -21.174 10.194 1.00 0.00 H new ATOM 0 HA LEU A 101 3.950 -23.967 9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.458 -22.705 11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.153 -24.418 11.775 1.00 0.00 H new ATOM 0 HG LEU A 101 6.459 -22.919 10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.845 -24.102 12.251 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.642 -23.024 12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.354 -24.780 12.948 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.425 -25.165 10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.946 -25.908 10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.872 -24.951 9.266 1.00 0.00 H new ATOM 1545 N PRO A 102 1.622 -24.510 10.401 1.00 0.00 N ATOM 1546 CA PRO A 102 0.197 -24.665 10.731 1.00 0.00 C ATOM 1547 C PRO A 102 -0.187 -24.111 12.119 1.00 0.00 C ATOM 1548 O PRO A 102 -1.361 -23.835 12.373 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.104 -26.161 10.586 1.00 0.00 C ATOM 1550 CG PRO A 102 1.256 -26.829 10.777 1.00 0.00 C ATOM 1551 CD PRO A 102 2.224 -25.818 10.168 1.00 0.00 C ATOM 0 HA PRO A 102 -0.414 -24.068 10.054 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.823 -26.498 11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.528 -26.390 9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.472 -27.011 11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.307 -27.793 10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.207 -25.886 10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.363 -26.001 9.103 1.00 0.00 H new ATOM 1559 N ASP A 103 0.793 -23.892 13.002 1.00 0.00 N ATOM 1560 CA ASP A 103 0.630 -23.263 14.323 1.00 0.00 C ATOM 1561 C ASP A 103 0.399 -21.730 14.238 1.00 0.00 C ATOM 1562 O ASP A 103 0.191 -21.076 15.262 1.00 0.00 O ATOM 1563 CB ASP A 103 1.876 -23.562 15.172 1.00 0.00 C ATOM 1564 CG ASP A 103 2.028 -25.065 15.462 1.00 0.00 C ATOM 1565 OD1 ASP A 103 1.326 -25.582 16.363 1.00 0.00 O ATOM 1566 OD2 ASP A 103 2.859 -25.729 14.796 1.00 0.00 O ATOM 0 H ASP A 103 1.759 -24.157 12.812 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.262 -23.685 14.785 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.764 -23.201 14.653 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.813 -23.016 16.113 1.00 0.00 H new ATOM 1571 N ASP A 104 0.432 -21.153 13.028 1.00 0.00 N ATOM 1572 CA ASP A 104 0.252 -19.726 12.714 1.00 0.00 C ATOM 1573 C ASP A 104 1.150 -18.755 13.536 1.00 0.00 C ATOM 1574 O ASP A 104 0.640 -17.832 14.182 1.00 0.00 O ATOM 1575 CB ASP A 104 -1.257 -19.407 12.750 1.00 0.00 C ATOM 1576 CG ASP A 104 -1.626 -18.041 12.151 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.883 -17.509 11.295 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -2.700 -17.497 12.498 1.00 0.00 O ATOM 0 H ASP A 104 0.596 -21.706 12.187 1.00 0.00 H new ATOM 0 HA ASP A 104 0.621 -19.543 11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.795 -20.186 12.209 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.600 -19.442 13.784 1.00 0.00 H new ATOM 1583 N PRO A 105 2.493 -18.946 13.551 1.00 0.00 N ATOM 1584 CA PRO A 105 3.423 -18.119 14.333 1.00 0.00 C ATOM 1585 C PRO A 105 3.707 -16.719 13.750 1.00 0.00 C ATOM 1586 O PRO A 105 4.087 -15.817 14.501 1.00 0.00 O ATOM 1587 CB PRO A 105 4.716 -18.943 14.388 1.00 0.00 C ATOM 1588 CG PRO A 105 4.713 -19.688 13.053 1.00 0.00 C ATOM 1589 CD PRO A 105 3.231 -19.994 12.851 1.00 0.00 C ATOM 0 HA PRO A 105 2.984 -17.905 15.307 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.595 -18.307 14.492 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.719 -19.631 15.233 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.115 -19.076 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.314 -20.597 13.094 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.978 -20.005 11.791 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.980 -20.977 13.249 1.00 0.00 H new ATOM 1597 N ARG A 106 3.540 -16.527 12.428 1.00 0.00 N ATOM 1598 CA ARG A 106 3.778 -15.268 11.672 1.00 0.00 C ATOM 1599 C ARG A 106 5.127 -14.573 11.964 1.00 0.00 C ATOM 1600 O ARG A 106 5.224 -13.346 11.904 1.00 0.00 O ATOM 1601 CB ARG A 106 2.572 -14.314 11.835 1.00 0.00 C ATOM 1602 CG ARG A 106 1.226 -14.986 11.529 1.00 0.00 C ATOM 1603 CD ARG A 106 0.071 -13.982 11.564 1.00 0.00 C ATOM 1604 NE ARG A 106 -1.217 -14.692 11.529 1.00 0.00 N ATOM 1605 CZ ARG A 106 -2.426 -14.173 11.563 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -2.640 -12.887 11.503 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -3.453 -14.960 11.673 1.00 0.00 N ATOM 0 H ARG A 106 3.219 -17.281 11.820 1.00 0.00 H new ATOM 0 HA ARG A 106 3.865 -15.556 10.624 1.00 0.00 H new ATOM 0 HB2 ARG A 106 2.556 -13.930 12.855 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.702 -13.457 11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.269 -15.457 10.547 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.042 -15.778 12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.135 -13.373 12.466 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.144 -13.302 10.715 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.167 -15.709 11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.853 -12.242 11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.594 -12.527 11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.318 -15.969 11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.395 -14.569 11.700 1.00 0.00 H new ATOM 1621 N GLN A 107 6.165 -15.354 12.285 1.00 0.00 N ATOM 1622 CA GLN A 107 7.525 -14.906 12.643 1.00 0.00 C ATOM 1623 C GLN A 107 7.537 -13.676 13.567 1.00 0.00 C ATOM 1624 O GLN A 107 7.864 -13.778 14.757 1.00 0.00 O ATOM 1625 CB GLN A 107 8.362 -14.638 11.377 1.00 0.00 C ATOM 1626 CG GLN A 107 8.542 -15.857 10.454 1.00 0.00 C ATOM 1627 CD GLN A 107 9.287 -17.036 11.087 1.00 0.00 C ATOM 1628 OE1 GLN A 107 10.054 -16.912 12.035 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.087 -18.234 10.584 1.00 0.00 N ATOM 0 H GLN A 107 6.079 -16.370 12.304 1.00 0.00 H new ATOM 0 HA GLN A 107 7.976 -15.722 13.207 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.890 -13.836 10.809 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.346 -14.279 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.559 -16.198 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.081 -15.542 9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.452 -18.356 9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.567 -19.041 10.983 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.747 17.541 -6.368 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.147 20.183 -3.637 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.560 5.334 -0.692 1.00 0.00 ZN