USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.6!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= -1.06 (180deg=-1.17) USER MOD Single : A 15 THR OG1 : rot 140:sc= 0.659 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.069 X(o=-0.069,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00356 X(o=-0.0036,f=-0.18) USER MOD Single : A 49 HIS : no HE2:sc= -2.04 K(o=-2,f=-4.2!) USER MOD Single : A 53 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-4.6!) USER MOD Single : A 69 SER OG : rot 23:sc= 0.088 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.001 -25.232 -5.437 1.00 0.00 N ATOM 2 CA GLY A 1 7.669 -24.887 -4.976 1.00 0.00 C ATOM 3 C GLY A 1 7.689 -24.084 -3.691 1.00 0.00 C ATOM 4 O GLY A 1 8.455 -23.129 -3.560 1.00 0.00 O ATOM 0 H1 GLY A 1 8.932 -25.780 -6.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.544 -24.362 -5.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.483 -25.801 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.157 -24.315 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.094 -25.800 -4.821 1.00 0.00 H new ATOM 8 N SER A 2 6.844 -24.469 -2.740 1.00 0.00 N ATOM 9 CA SER A 2 6.764 -23.774 -1.461 1.00 0.00 C ATOM 10 C SER A 2 7.584 -24.498 -0.398 1.00 0.00 C ATOM 11 O SER A 2 7.617 -25.727 -0.353 1.00 0.00 O ATOM 12 CB SER A 2 5.307 -23.660 -1.008 1.00 0.00 C ATOM 13 OG SER A 2 4.507 -23.057 -2.010 1.00 0.00 O ATOM 0 H SER A 2 6.205 -25.259 -2.831 1.00 0.00 H new ATOM 0 HA SER A 2 7.175 -22.773 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.917 -24.651 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.253 -23.072 -0.092 1.00 0.00 H new ATOM 0 HG SER A 2 3.580 -22.997 -1.697 1.00 0.00 H new ATOM 19 N SER A 3 8.245 -23.725 0.459 1.00 0.00 N ATOM 20 CA SER A 3 9.068 -24.291 1.521 1.00 0.00 C ATOM 21 C SER A 3 8.510 -23.929 2.893 1.00 0.00 C ATOM 22 O SER A 3 7.829 -22.916 3.051 1.00 0.00 O ATOM 23 CB SER A 3 10.511 -23.794 1.397 1.00 0.00 C ATOM 24 OG SER A 3 11.127 -24.306 0.228 1.00 0.00 O ATOM 0 H SER A 3 8.226 -22.705 0.438 1.00 0.00 H new ATOM 0 HA SER A 3 9.054 -25.376 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.523 -22.704 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.081 -24.098 2.275 1.00 0.00 H new ATOM 0 HG SER A 3 12.047 -23.973 0.170 1.00 0.00 H new ATOM 30 N GLY A 4 8.805 -24.764 3.885 1.00 0.00 N ATOM 31 CA GLY A 4 8.324 -24.516 5.232 1.00 0.00 C ATOM 32 C GLY A 4 9.261 -23.628 6.027 1.00 0.00 C ATOM 33 O GLY A 4 9.778 -24.033 7.067 1.00 0.00 O ATOM 0 H GLY A 4 9.368 -25.608 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.340 -24.049 5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.201 -25.466 5.751 1.00 0.00 H new ATOM 37 N SER A 5 9.480 -22.412 5.535 1.00 0.00 N ATOM 38 CA SER A 5 10.365 -21.466 6.204 1.00 0.00 C ATOM 39 C SER A 5 9.689 -20.107 6.361 1.00 0.00 C ATOM 40 O SER A 5 9.049 -19.609 5.434 1.00 0.00 O ATOM 41 CB SER A 5 11.669 -21.311 5.417 1.00 0.00 C ATOM 42 OG SER A 5 12.363 -22.543 5.333 1.00 0.00 O ATOM 0 H SER A 5 9.057 -22.060 4.676 1.00 0.00 H new ATOM 0 HA SER A 5 10.591 -21.857 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.451 -20.944 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.302 -20.566 5.899 1.00 0.00 H new ATOM 0 HG SER A 5 13.191 -22.418 4.824 1.00 0.00 H new ATOM 48 N SER A 6 9.835 -19.513 7.541 1.00 0.00 N ATOM 49 CA SER A 6 9.235 -18.214 7.823 1.00 0.00 C ATOM 50 C SER A 6 10.037 -17.093 7.170 1.00 0.00 C ATOM 51 O SER A 6 11.266 -17.078 7.229 1.00 0.00 O ATOM 52 CB SER A 6 9.151 -17.984 9.333 1.00 0.00 C ATOM 53 OG SER A 6 8.008 -18.617 9.882 1.00 0.00 O ATOM 0 H SER A 6 10.364 -19.911 8.317 1.00 0.00 H new ATOM 0 HA SER A 6 8.228 -18.208 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.050 -18.370 9.813 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.113 -16.914 9.540 1.00 0.00 H new ATOM 0 HG SER A 6 7.978 -18.457 10.848 1.00 0.00 H new ATOM 59 N GLY A 7 9.331 -16.154 6.546 1.00 0.00 N ATOM 60 CA GLY A 7 9.993 -15.041 5.891 1.00 0.00 C ATOM 61 C GLY A 7 9.549 -13.699 6.438 1.00 0.00 C ATOM 62 O GLY A 7 9.277 -13.567 7.630 1.00 0.00 O ATOM 0 H GLY A 7 8.313 -16.145 6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.072 -15.141 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.789 -15.079 4.821 1.00 0.00 H new ATOM 66 N ASN A 8 9.478 -12.699 5.565 1.00 0.00 N ATOM 67 CA ASN A 8 9.067 -11.360 5.968 1.00 0.00 C ATOM 68 C ASN A 8 7.571 -11.161 5.749 1.00 0.00 C ATOM 69 O ASN A 8 7.047 -11.438 4.669 1.00 0.00 O ATOM 70 CB ASN A 8 9.853 -10.306 5.186 1.00 0.00 C ATOM 71 CG ASN A 8 11.267 -10.132 5.707 1.00 0.00 C ATOM 72 OD1 ASN A 8 11.559 -10.456 6.859 1.00 0.00 O ATOM 73 ND2 ASN A 8 12.151 -9.619 4.862 1.00 0.00 N ATOM 0 H ASN A 8 9.700 -12.791 4.574 1.00 0.00 H new ATOM 0 HA ASN A 8 9.278 -11.247 7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.889 -10.590 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.329 -9.352 5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.117 -9.479 5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.865 -9.365 3.917 1.00 0.00 H new ATOM 80 N LYS A 9 6.887 -10.679 6.781 1.00 0.00 N ATOM 81 CA LYS A 9 5.450 -10.440 6.703 1.00 0.00 C ATOM 82 C LYS A 9 5.143 -9.267 5.778 1.00 0.00 C ATOM 83 O LYS A 9 5.232 -8.107 6.181 1.00 0.00 O ATOM 84 CB LYS A 9 4.881 -10.168 8.097 1.00 0.00 C ATOM 85 CG LYS A 9 4.568 -11.430 8.883 1.00 0.00 C ATOM 86 CD LYS A 9 3.287 -12.086 8.398 1.00 0.00 C ATOM 87 CE LYS A 9 2.066 -11.512 9.101 1.00 0.00 C ATOM 88 NZ LYS A 9 1.881 -12.098 10.458 1.00 0.00 N ATOM 0 H LYS A 9 7.305 -10.446 7.682 1.00 0.00 H new ATOM 0 HA LYS A 9 4.980 -11.334 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.594 -9.567 8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.971 -9.576 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.396 -12.133 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.475 -11.187 9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.189 -11.944 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.338 -13.160 8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.170 -10.430 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.177 -11.702 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.039 -11.681 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.757 -13.127 10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.718 -11.895 11.041 1.00 0.00 H new ATOM 102 N VAL A 10 4.779 -9.576 4.537 1.00 0.00 N ATOM 103 CA VAL A 10 4.456 -8.546 3.557 1.00 0.00 C ATOM 104 C VAL A 10 2.975 -8.188 3.603 1.00 0.00 C ATOM 105 O VAL A 10 2.148 -8.983 4.051 1.00 0.00 O ATOM 106 CB VAL A 10 4.820 -8.997 2.130 1.00 0.00 C ATOM 107 CG1 VAL A 10 6.266 -9.467 2.069 1.00 0.00 C ATOM 108 CG2 VAL A 10 3.875 -10.093 1.661 1.00 0.00 C ATOM 0 H VAL A 10 4.701 -10.531 4.187 1.00 0.00 H new ATOM 0 HA VAL A 10 5.047 -7.667 3.815 1.00 0.00 H new ATOM 0 HB VAL A 10 4.713 -8.144 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.504 -9.781 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.927 -8.650 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.405 -10.306 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.146 -10.400 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.948 -10.949 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.852 -9.717 1.663 1.00 0.00 H new ATOM 118 N ARG A 11 2.647 -6.988 3.137 1.00 0.00 N ATOM 119 CA ARG A 11 1.265 -6.524 3.126 1.00 0.00 C ATOM 120 C ARG A 11 0.938 -5.824 1.811 1.00 0.00 C ATOM 121 O ARG A 11 1.420 -4.723 1.545 1.00 0.00 O ATOM 122 CB ARG A 11 1.014 -5.574 4.299 1.00 0.00 C ATOM 123 CG ARG A 11 0.481 -6.268 5.542 1.00 0.00 C ATOM 124 CD ARG A 11 -1.040 -6.299 5.553 1.00 0.00 C ATOM 125 NE ARG A 11 -1.568 -6.740 6.841 1.00 0.00 N ATOM 126 CZ ARG A 11 -1.698 -8.016 7.185 1.00 0.00 C ATOM 127 NH1 ARG A 11 -1.337 -8.973 6.340 1.00 0.00 N ATOM 128 NH2 ARG A 11 -2.187 -8.338 8.375 1.00 0.00 N ATOM 0 H ARG A 11 3.319 -6.319 2.762 1.00 0.00 H new ATOM 0 HA ARG A 11 0.615 -7.393 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.945 -5.065 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.304 -4.807 3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.867 -7.286 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.842 -5.752 6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.425 -5.305 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.395 -6.967 4.768 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.853 -6.028 7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.959 -8.729 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.437 -9.953 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.464 -7.605 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.286 -9.319 8.637 1.00 0.00 H new ATOM 142 N ARG A 12 0.114 -6.470 0.991 1.00 0.00 N ATOM 143 CA ARG A 12 -0.277 -5.910 -0.297 1.00 0.00 C ATOM 144 C ARG A 12 -1.713 -5.394 -0.252 1.00 0.00 C ATOM 145 O ARG A 12 -2.618 -6.088 0.210 1.00 0.00 O ATOM 146 CB ARG A 12 -0.135 -6.962 -1.398 1.00 0.00 C ATOM 147 CG ARG A 12 0.186 -6.375 -2.762 1.00 0.00 C ATOM 148 CD ARG A 12 0.382 -7.465 -3.805 1.00 0.00 C ATOM 149 NE ARG A 12 0.035 -7.007 -5.148 1.00 0.00 N ATOM 150 CZ ARG A 12 0.440 -7.613 -6.259 1.00 0.00 C ATOM 151 NH1 ARG A 12 1.201 -8.696 -6.188 1.00 0.00 N ATOM 152 NH2 ARG A 12 0.081 -7.136 -7.444 1.00 0.00 N ATOM 0 H ARG A 12 -0.295 -7.381 1.196 1.00 0.00 H new ATOM 0 HA ARG A 12 0.385 -5.072 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.651 -7.664 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.062 -7.532 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.622 -5.713 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.089 -5.768 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.420 -7.796 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.231 -8.328 -3.547 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.550 -6.176 -5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.477 -9.066 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.510 -9.159 -7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.506 -6.304 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.392 -7.601 -8.297 1.00 0.00 H new ATOM 166 N VAL A 13 -1.912 -4.173 -0.736 1.00 0.00 N ATOM 167 CA VAL A 13 -3.237 -3.564 -0.753 1.00 0.00 C ATOM 168 C VAL A 13 -3.462 -2.771 -2.035 1.00 0.00 C ATOM 169 O VAL A 13 -2.521 -2.489 -2.777 1.00 0.00 O ATOM 170 CB VAL A 13 -3.442 -2.632 0.456 1.00 0.00 C ATOM 171 CG1 VAL A 13 -3.214 -3.387 1.757 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.518 -1.427 0.362 1.00 0.00 C ATOM 0 H VAL A 13 -1.173 -3.585 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.960 -4.379 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.472 -2.274 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.363 -2.712 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.919 -4.215 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.196 -3.775 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.676 -0.779 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.481 -1.764 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.734 -0.874 -0.552 1.00 0.00 H new ATOM 182 N LYS A 14 -4.716 -2.413 -2.291 1.00 0.00 N ATOM 183 CA LYS A 14 -5.066 -1.651 -3.483 1.00 0.00 C ATOM 184 C LYS A 14 -5.924 -0.442 -3.123 1.00 0.00 C ATOM 185 O LYS A 14 -6.806 -0.526 -2.267 1.00 0.00 O ATOM 186 CB LYS A 14 -5.811 -2.539 -4.481 1.00 0.00 C ATOM 187 CG LYS A 14 -6.457 -1.768 -5.620 1.00 0.00 C ATOM 188 CD LYS A 14 -7.313 -2.671 -6.491 1.00 0.00 C ATOM 189 CE LYS A 14 -6.508 -3.269 -7.635 1.00 0.00 C ATOM 190 NZ LYS A 14 -5.723 -4.457 -7.198 1.00 0.00 N ATOM 0 H LYS A 14 -5.507 -2.639 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.143 -1.296 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.115 -3.268 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.581 -3.100 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.071 -0.964 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.683 -1.301 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.734 -3.472 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.151 -2.102 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.182 -3.556 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.832 -2.514 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.339 -4.945 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.941 -4.150 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.341 -5.107 -6.671 1.00 0.00 H new ATOM 204 N THR A 15 -5.662 0.682 -3.783 1.00 0.00 N ATOM 205 CA THR A 15 -6.410 1.908 -3.533 1.00 0.00 C ATOM 206 C THR A 15 -7.811 1.828 -4.128 1.00 0.00 C ATOM 207 O THR A 15 -8.004 2.078 -5.318 1.00 0.00 O ATOM 208 CB THR A 15 -5.686 3.136 -4.115 1.00 0.00 C ATOM 209 OG1 THR A 15 -5.468 2.956 -5.519 1.00 0.00 O ATOM 210 CG2 THR A 15 -4.355 3.363 -3.415 1.00 0.00 C ATOM 0 H THR A 15 -4.937 0.768 -4.495 1.00 0.00 H new ATOM 0 HA THR A 15 -6.484 2.018 -2.451 1.00 0.00 H new ATOM 0 HB THR A 15 -6.316 4.011 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.622 3.804 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.863 4.236 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.527 3.529 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.720 2.487 -3.547 1.00 0.00 H new ATOM 218 N ILE A 16 -8.784 1.479 -3.294 1.00 0.00 N ATOM 219 CA ILE A 16 -10.168 1.369 -3.739 1.00 0.00 C ATOM 220 C ILE A 16 -10.785 2.745 -3.962 1.00 0.00 C ATOM 221 O ILE A 16 -11.895 2.862 -4.484 1.00 0.00 O ATOM 222 CB ILE A 16 -11.026 0.593 -2.722 1.00 0.00 C ATOM 223 CG1 ILE A 16 -10.778 1.119 -1.307 1.00 0.00 C ATOM 224 CG2 ILE A 16 -10.725 -0.896 -2.800 1.00 0.00 C ATOM 225 CD1 ILE A 16 -11.784 0.622 -0.292 1.00 0.00 C ATOM 0 H ILE A 16 -8.640 1.268 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.154 0.823 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.077 0.744 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.778 0.825 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.800 2.209 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.339 -1.430 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.948 -1.260 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.672 -1.066 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.546 1.035 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.785 0.939 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.747 -0.466 -0.246 1.00 0.00 H new ATOM 237 N TYR A 17 -10.058 3.784 -3.568 1.00 0.00 N ATOM 238 CA TYR A 17 -10.534 5.153 -3.725 1.00 0.00 C ATOM 239 C TYR A 17 -9.428 6.057 -4.260 1.00 0.00 C ATOM 240 O TYR A 17 -8.262 5.663 -4.314 1.00 0.00 O ATOM 241 CB TYR A 17 -11.047 5.694 -2.389 1.00 0.00 C ATOM 242 CG TYR A 17 -12.261 4.959 -1.864 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.404 4.823 -2.642 1.00 0.00 C ATOM 244 CD2 TYR A 17 -12.264 4.402 -0.592 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.515 4.152 -2.167 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.370 3.730 -0.109 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.493 3.607 -0.900 1.00 0.00 C ATOM 248 OH TYR A 17 -15.597 2.939 -0.423 1.00 0.00 O ATOM 0 H TYR A 17 -9.137 3.704 -3.138 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.352 5.145 -4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.248 5.632 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.293 6.749 -2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.425 5.249 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.386 4.496 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.396 4.055 -2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.355 3.303 0.883 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.417 2.616 0.484 1.00 0.00 H new ATOM 258 N ASP A 18 -9.802 7.270 -4.653 1.00 0.00 N ATOM 259 CA ASP A 18 -8.841 8.231 -5.183 1.00 0.00 C ATOM 260 C ASP A 18 -8.426 9.232 -4.109 1.00 0.00 C ATOM 261 O ASP A 18 -9.272 9.802 -3.418 1.00 0.00 O ATOM 262 CB ASP A 18 -9.437 8.969 -6.382 1.00 0.00 C ATOM 263 CG ASP A 18 -10.878 9.380 -6.153 1.00 0.00 C ATOM 264 OD1 ASP A 18 -11.729 8.484 -5.979 1.00 0.00 O ATOM 265 OD2 ASP A 18 -11.154 10.598 -6.149 1.00 0.00 O ATOM 0 H ASP A 18 -10.763 7.611 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.955 7.684 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.839 9.855 -6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.381 8.329 -7.263 1.00 0.00 H new ATOM 270 N CYS A 19 -7.121 9.439 -3.973 1.00 0.00 N ATOM 271 CA CYS A 19 -6.593 10.369 -2.982 1.00 0.00 C ATOM 272 C CYS A 19 -5.600 11.337 -3.619 1.00 0.00 C ATOM 273 O CYS A 19 -4.976 11.022 -4.631 1.00 0.00 O ATOM 274 CB CYS A 19 -5.919 9.604 -1.843 1.00 0.00 C ATOM 275 SG CYS A 19 -5.848 10.516 -0.283 1.00 0.00 S ATOM 0 H CYS A 19 -6.409 8.975 -4.537 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.426 10.945 -2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.455 8.669 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.905 9.342 -2.145 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.263 9.786 0.620 1.00 0.00 H new ATOM 281 N GLN A 20 -5.463 12.515 -3.019 1.00 0.00 N ATOM 282 CA GLN A 20 -4.549 13.529 -3.530 1.00 0.00 C ATOM 283 C GLN A 20 -3.705 14.117 -2.403 1.00 0.00 C ATOM 284 O GLN A 20 -4.084 15.109 -1.783 1.00 0.00 O ATOM 285 CB GLN A 20 -5.328 14.641 -4.233 1.00 0.00 C ATOM 286 CG GLN A 20 -5.622 14.348 -5.695 1.00 0.00 C ATOM 287 CD GLN A 20 -5.771 15.607 -6.525 1.00 0.00 C ATOM 288 OE1 GLN A 20 -6.841 15.883 -7.070 1.00 0.00 O ATOM 289 NE2 GLN A 20 -4.697 16.380 -6.626 1.00 0.00 N ATOM 0 H GLN A 20 -5.973 12.790 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.883 13.053 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.269 14.802 -3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.761 15.570 -4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.818 13.738 -6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.537 13.760 -5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.831 16.113 -6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.738 17.241 -7.172 1.00 0.00 H new ATOM 298 N ALA A 21 -2.558 13.498 -2.145 1.00 0.00 N ATOM 299 CA ALA A 21 -1.658 13.960 -1.095 1.00 0.00 C ATOM 300 C ALA A 21 -1.399 15.459 -1.215 1.00 0.00 C ATOM 301 O ALA A 21 -1.054 15.954 -2.288 1.00 0.00 O ATOM 302 CB ALA A 21 -0.348 13.190 -1.144 1.00 0.00 C ATOM 0 H ALA A 21 -2.230 12.674 -2.649 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.137 13.776 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.313 13.546 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.545 12.128 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.128 13.343 -2.112 1.00 0.00 H new ATOM 308 N ASP A 22 -1.568 16.174 -0.109 1.00 0.00 N ATOM 309 CA ASP A 22 -1.352 17.616 -0.091 1.00 0.00 C ATOM 310 C ASP A 22 0.122 17.942 0.129 1.00 0.00 C ATOM 311 O ASP A 22 0.651 18.889 -0.451 1.00 0.00 O ATOM 312 CB ASP A 22 -2.199 18.267 1.003 1.00 0.00 C ATOM 313 CG ASP A 22 -3.609 18.577 0.537 1.00 0.00 C ATOM 314 OD1 ASP A 22 -3.781 19.554 -0.221 1.00 0.00 O ATOM 315 OD2 ASP A 22 -4.540 17.842 0.931 1.00 0.00 O ATOM 0 H ASP A 22 -1.854 15.779 0.787 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.654 18.015 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.243 17.604 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.717 19.188 1.332 1.00 0.00 H new ATOM 320 N ASN A 23 0.778 17.150 0.971 1.00 0.00 N ATOM 321 CA ASN A 23 2.191 17.355 1.268 1.00 0.00 C ATOM 322 C ASN A 23 3.066 16.449 0.408 1.00 0.00 C ATOM 323 O ASN A 23 2.561 15.635 -0.366 1.00 0.00 O ATOM 324 CB ASN A 23 2.465 17.091 2.750 1.00 0.00 C ATOM 325 CG ASN A 23 2.077 18.264 3.629 1.00 0.00 C ATOM 326 OD1 ASN A 23 2.933 19.016 4.093 1.00 0.00 O ATOM 327 ND2 ASN A 23 0.779 18.424 3.860 1.00 0.00 N ATOM 0 H ASN A 23 0.354 16.361 1.459 1.00 0.00 H new ATOM 0 HA ASN A 23 2.438 18.392 1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.913 16.206 3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.524 16.873 2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.456 19.196 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.105 17.775 3.454 1.00 0.00 H new ATOM 334 N ASP A 24 4.378 16.594 0.550 1.00 0.00 N ATOM 335 CA ASP A 24 5.324 15.787 -0.213 1.00 0.00 C ATOM 336 C ASP A 24 5.496 14.409 0.420 1.00 0.00 C ATOM 337 O ASP A 24 5.574 13.399 -0.280 1.00 0.00 O ATOM 338 CB ASP A 24 6.677 16.494 -0.300 1.00 0.00 C ATOM 339 CG ASP A 24 6.545 17.947 -0.714 1.00 0.00 C ATOM 340 OD1 ASP A 24 6.230 18.785 0.156 1.00 0.00 O ATOM 341 OD2 ASP A 24 6.755 18.245 -1.908 1.00 0.00 O ATOM 0 H ASP A 24 4.812 17.263 1.186 1.00 0.00 H new ATOM 0 HA ASP A 24 4.925 15.658 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.176 16.439 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.312 15.971 -1.016 1.00 0.00 H new ATOM 346 N ASP A 25 5.557 14.376 1.747 1.00 0.00 N ATOM 347 CA ASP A 25 5.721 13.123 2.474 1.00 0.00 C ATOM 348 C ASP A 25 4.618 12.134 2.107 1.00 0.00 C ATOM 349 O ASP A 25 4.887 10.966 1.833 1.00 0.00 O ATOM 350 CB ASP A 25 5.713 13.379 3.982 1.00 0.00 C ATOM 351 CG ASP A 25 6.762 14.389 4.403 1.00 0.00 C ATOM 352 OD1 ASP A 25 7.956 14.026 4.433 1.00 0.00 O ATOM 353 OD2 ASP A 25 6.389 15.542 4.705 1.00 0.00 O ATOM 0 H ASP A 25 5.495 15.203 2.341 1.00 0.00 H new ATOM 0 HA ASP A 25 6.681 12.690 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.728 13.736 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.885 12.440 4.508 1.00 0.00 H new ATOM 358 N GLU A 26 3.378 12.612 2.107 1.00 0.00 N ATOM 359 CA GLU A 26 2.235 11.769 1.776 1.00 0.00 C ATOM 360 C GLU A 26 2.376 11.188 0.372 1.00 0.00 C ATOM 361 O GLU A 26 3.000 11.792 -0.502 1.00 0.00 O ATOM 362 CB GLU A 26 0.935 12.568 1.881 1.00 0.00 C ATOM 363 CG GLU A 26 0.386 12.655 3.295 1.00 0.00 C ATOM 364 CD GLU A 26 -0.534 11.499 3.635 1.00 0.00 C ATOM 365 OE1 GLU A 26 -1.508 11.276 2.887 1.00 0.00 O ATOM 366 OE2 GLU A 26 -0.280 10.818 4.650 1.00 0.00 O ATOM 0 H GLU A 26 3.139 13.578 2.332 1.00 0.00 H new ATOM 0 HA GLU A 26 2.205 10.946 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.107 13.576 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.184 12.111 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.215 12.675 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.156 13.593 3.413 1.00 0.00 H new ATOM 373 N LEU A 27 1.794 10.012 0.163 1.00 0.00 N ATOM 374 CA LEU A 27 1.855 9.347 -1.134 1.00 0.00 C ATOM 375 C LEU A 27 0.656 9.726 -1.996 1.00 0.00 C ATOM 376 O LEU A 27 -0.485 9.718 -1.532 1.00 0.00 O ATOM 377 CB LEU A 27 1.905 7.829 -0.950 1.00 0.00 C ATOM 378 CG LEU A 27 2.070 7.003 -2.226 1.00 0.00 C ATOM 379 CD1 LEU A 27 3.430 7.259 -2.855 1.00 0.00 C ATOM 380 CD2 LEU A 27 1.887 5.522 -1.930 1.00 0.00 C ATOM 0 H LEU A 27 1.274 9.499 0.875 1.00 0.00 H new ATOM 0 HA LEU A 27 2.763 9.675 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.730 7.592 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.988 7.513 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 27 1.301 7.308 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.529 6.663 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.523 8.316 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.215 6.982 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.008 4.950 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.633 5.202 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.889 5.352 -1.526 1.00 0.00 H new ATOM 392 N THR A 28 0.921 10.058 -3.256 1.00 0.00 N ATOM 393 CA THR A 28 -0.137 10.440 -4.185 1.00 0.00 C ATOM 394 C THR A 28 -0.533 9.269 -5.077 1.00 0.00 C ATOM 395 O THR A 28 0.258 8.805 -5.898 1.00 0.00 O ATOM 396 CB THR A 28 0.294 11.623 -5.070 1.00 0.00 C ATOM 397 OG1 THR A 28 0.930 12.627 -4.273 1.00 0.00 O ATOM 398 CG2 THR A 28 -0.903 12.224 -5.791 1.00 0.00 C ATOM 0 H THR A 28 1.859 10.070 -3.657 1.00 0.00 H new ATOM 0 HA THR A 28 -0.994 10.741 -3.583 1.00 0.00 H new ATOM 0 HB THR A 28 0.998 11.252 -5.815 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.202 13.375 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.573 13.058 -6.410 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.367 11.465 -6.421 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.628 12.580 -5.059 1.00 0.00 H new ATOM 406 N PHE A 29 -1.764 8.796 -4.912 1.00 0.00 N ATOM 407 CA PHE A 29 -2.266 7.678 -5.703 1.00 0.00 C ATOM 408 C PHE A 29 -3.679 7.958 -6.205 1.00 0.00 C ATOM 409 O PHE A 29 -4.267 8.993 -5.889 1.00 0.00 O ATOM 410 CB PHE A 29 -2.252 6.392 -4.874 1.00 0.00 C ATOM 411 CG PHE A 29 -3.069 6.481 -3.617 1.00 0.00 C ATOM 412 CD1 PHE A 29 -4.435 6.254 -3.645 1.00 0.00 C ATOM 413 CD2 PHE A 29 -2.470 6.791 -2.407 1.00 0.00 C ATOM 414 CE1 PHE A 29 -5.189 6.335 -2.489 1.00 0.00 C ATOM 415 CE2 PHE A 29 -3.218 6.874 -1.247 1.00 0.00 C ATOM 416 CZ PHE A 29 -4.579 6.646 -1.288 1.00 0.00 C ATOM 0 H PHE A 29 -2.432 9.169 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.611 7.553 -6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.628 5.571 -5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.222 6.149 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.917 6.011 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.406 6.970 -2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.253 6.156 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.738 7.117 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.166 6.710 -0.384 1.00 0.00 H new ATOM 426 N ILE A 30 -4.218 7.030 -6.987 1.00 0.00 N ATOM 427 CA ILE A 30 -5.562 7.177 -7.532 1.00 0.00 C ATOM 428 C ILE A 30 -6.296 5.839 -7.552 1.00 0.00 C ATOM 429 O ILE A 30 -5.675 4.779 -7.499 1.00 0.00 O ATOM 430 CB ILE A 30 -5.530 7.753 -8.960 1.00 0.00 C ATOM 431 CG1 ILE A 30 -4.715 6.844 -9.883 1.00 0.00 C ATOM 432 CG2 ILE A 30 -4.955 9.161 -8.951 1.00 0.00 C ATOM 433 CD1 ILE A 30 -5.172 6.879 -11.324 1.00 0.00 C ATOM 0 H ILE A 30 -3.745 6.168 -7.258 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.093 7.871 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.551 7.801 -9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.667 7.138 -9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.775 5.819 -9.516 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.939 9.554 -9.968 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.574 9.803 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.940 9.137 -8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.549 6.211 -11.919 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.211 6.556 -11.384 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.085 7.895 -11.709 1.00 0.00 H new ATOM 445 N GLU A 31 -7.622 5.900 -7.628 1.00 0.00 N ATOM 446 CA GLU A 31 -8.441 4.694 -7.655 1.00 0.00 C ATOM 447 C GLU A 31 -7.961 3.735 -8.741 1.00 0.00 C ATOM 448 O GLU A 31 -7.920 4.085 -9.919 1.00 0.00 O ATOM 449 CB GLU A 31 -9.909 5.052 -7.888 1.00 0.00 C ATOM 450 CG GLU A 31 -10.854 3.870 -7.749 1.00 0.00 C ATOM 451 CD GLU A 31 -12.115 4.031 -8.576 1.00 0.00 C ATOM 452 OE1 GLU A 31 -12.067 3.753 -9.793 1.00 0.00 O ATOM 453 OE2 GLU A 31 -13.151 4.434 -8.007 1.00 0.00 O ATOM 0 H GLU A 31 -8.151 6.771 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.345 4.199 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.202 5.826 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.017 5.477 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.338 2.959 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.125 3.747 -6.700 1.00 0.00 H new ATOM 460 N GLY A 32 -7.598 2.522 -8.334 1.00 0.00 N ATOM 461 CA GLY A 32 -7.125 1.531 -9.283 1.00 0.00 C ATOM 462 C GLY A 32 -5.617 1.374 -9.254 1.00 0.00 C ATOM 463 O GLY A 32 -4.990 1.159 -10.290 1.00 0.00 O ATOM 0 H GLY A 32 -7.623 2.208 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.592 0.571 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.438 1.816 -10.287 1.00 0.00 H new ATOM 467 N GLU A 33 -5.035 1.483 -8.064 1.00 0.00 N ATOM 468 CA GLU A 33 -3.592 1.353 -7.906 1.00 0.00 C ATOM 469 C GLU A 33 -3.252 0.341 -6.815 1.00 0.00 C ATOM 470 O GLU A 33 -4.044 0.106 -5.903 1.00 0.00 O ATOM 471 CB GLU A 33 -2.970 2.710 -7.568 1.00 0.00 C ATOM 472 CG GLU A 33 -2.871 3.648 -8.760 1.00 0.00 C ATOM 473 CD GLU A 33 -1.955 3.116 -9.846 1.00 0.00 C ATOM 474 OE1 GLU A 33 -0.772 2.853 -9.547 1.00 0.00 O ATOM 475 OE2 GLU A 33 -2.422 2.963 -10.994 1.00 0.00 O ATOM 0 H GLU A 33 -5.540 1.661 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.180 0.996 -8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.563 3.188 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.973 2.551 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.866 3.808 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.505 4.619 -8.425 1.00 0.00 H new ATOM 482 N VAL A 34 -2.069 -0.256 -6.917 1.00 0.00 N ATOM 483 CA VAL A 34 -1.623 -1.243 -5.941 1.00 0.00 C ATOM 484 C VAL A 34 -0.425 -0.731 -5.150 1.00 0.00 C ATOM 485 O VAL A 34 0.603 -0.371 -5.725 1.00 0.00 O ATOM 486 CB VAL A 34 -1.247 -2.572 -6.619 1.00 0.00 C ATOM 487 CG1 VAL A 34 -0.808 -3.595 -5.583 1.00 0.00 C ATOM 488 CG2 VAL A 34 -2.414 -3.101 -7.440 1.00 0.00 C ATOM 0 H VAL A 34 -1.402 -0.073 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.457 -1.415 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.410 -2.391 -7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.546 -4.528 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.060 -3.216 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.622 -3.775 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.130 -4.041 -7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.272 -3.267 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.677 -2.374 -8.208 1.00 0.00 H new ATOM 498 N ILE A 35 -0.564 -0.701 -3.829 1.00 0.00 N ATOM 499 CA ILE A 35 0.508 -0.235 -2.959 1.00 0.00 C ATOM 500 C ILE A 35 1.131 -1.392 -2.185 1.00 0.00 C ATOM 501 O ILE A 35 0.435 -2.314 -1.762 1.00 0.00 O ATOM 502 CB ILE A 35 0.002 0.823 -1.960 1.00 0.00 C ATOM 503 CG1 ILE A 35 -0.632 1.999 -2.705 1.00 0.00 C ATOM 504 CG2 ILE A 35 1.143 1.303 -1.075 1.00 0.00 C ATOM 505 CD1 ILE A 35 -1.342 2.978 -1.796 1.00 0.00 C ATOM 0 H ILE A 35 -1.409 -0.994 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 35 1.263 0.216 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.758 0.368 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.143 2.527 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.342 1.615 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.770 2.050 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.554 0.459 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.923 1.744 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.767 3.785 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.140 2.464 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.631 3.391 -1.080 1.00 0.00 H new ATOM 517 N ILE A 36 2.446 -1.334 -2.004 1.00 0.00 N ATOM 518 CA ILE A 36 3.163 -2.376 -1.279 1.00 0.00 C ATOM 519 C ILE A 36 3.562 -1.901 0.114 1.00 0.00 C ATOM 520 O ILE A 36 4.520 -1.145 0.273 1.00 0.00 O ATOM 521 CB ILE A 36 4.426 -2.824 -2.038 1.00 0.00 C ATOM 522 CG1 ILE A 36 4.053 -3.354 -3.424 1.00 0.00 C ATOM 523 CG2 ILE A 36 5.175 -3.883 -1.244 1.00 0.00 C ATOM 524 CD1 ILE A 36 3.186 -4.592 -3.384 1.00 0.00 C ATOM 0 H ILE A 36 3.036 -0.577 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 36 2.483 -3.223 -1.191 1.00 0.00 H new ATOM 0 HB ILE A 36 5.081 -1.962 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.530 -2.572 -3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.966 -3.577 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.065 -4.189 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.469 -3.473 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.529 -4.747 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.961 -4.912 -4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.714 -5.390 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.257 -4.369 -2.860 1.00 0.00 H new ATOM 536 N VAL A 37 2.822 -2.352 1.122 1.00 0.00 N ATOM 537 CA VAL A 37 3.100 -1.976 2.502 1.00 0.00 C ATOM 538 C VAL A 37 4.431 -2.554 2.972 1.00 0.00 C ATOM 539 O VAL A 37 4.603 -3.772 3.041 1.00 0.00 O ATOM 540 CB VAL A 37 1.983 -2.453 3.449 1.00 0.00 C ATOM 541 CG1 VAL A 37 2.358 -2.179 4.898 1.00 0.00 C ATOM 542 CG2 VAL A 37 0.663 -1.784 3.096 1.00 0.00 C ATOM 0 H VAL A 37 2.025 -2.978 1.008 1.00 0.00 H new ATOM 0 HA VAL A 37 3.150 -0.887 2.530 1.00 0.00 H new ATOM 0 HB VAL A 37 1.862 -3.529 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.557 -2.523 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.279 -2.709 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.508 -1.109 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.115 -2.133 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.767 -0.703 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.390 -2.036 2.071 1.00 0.00 H new ATOM 552 N THR A 38 5.372 -1.671 3.295 1.00 0.00 N ATOM 553 CA THR A 38 6.688 -2.093 3.757 1.00 0.00 C ATOM 554 C THR A 38 6.985 -1.542 5.147 1.00 0.00 C ATOM 555 O THR A 38 7.554 -2.232 5.990 1.00 0.00 O ATOM 556 CB THR A 38 7.796 -1.637 2.789 1.00 0.00 C ATOM 557 OG1 THR A 38 7.678 -0.232 2.536 1.00 0.00 O ATOM 558 CG2 THR A 38 7.717 -2.402 1.477 1.00 0.00 C ATOM 0 H THR A 38 5.246 -0.660 3.245 1.00 0.00 H new ATOM 0 HA THR A 38 6.675 -3.182 3.796 1.00 0.00 H new ATOM 0 HB THR A 38 8.761 -1.842 3.253 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.387 0.050 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.509 -2.063 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.837 -3.468 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.748 -2.224 1.010 1.00 0.00 H new ATOM 566 N GLY A 39 6.594 -0.292 5.379 1.00 0.00 N ATOM 567 CA GLY A 39 6.826 0.331 6.669 1.00 0.00 C ATOM 568 C GLY A 39 5.553 0.867 7.292 1.00 0.00 C ATOM 569 O GLY A 39 5.411 2.074 7.487 1.00 0.00 O ATOM 0 H GLY A 39 6.121 0.300 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.279 -0.396 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.540 1.146 6.552 1.00 0.00 H new ATOM 573 N GLU A 40 4.624 -0.032 7.604 1.00 0.00 N ATOM 574 CA GLU A 40 3.355 0.360 8.206 1.00 0.00 C ATOM 575 C GLU A 40 3.583 1.250 9.424 1.00 0.00 C ATOM 576 O GLU A 40 4.125 0.807 10.436 1.00 0.00 O ATOM 577 CB GLU A 40 2.553 -0.880 8.608 1.00 0.00 C ATOM 578 CG GLU A 40 3.158 -1.645 9.773 1.00 0.00 C ATOM 579 CD GLU A 40 4.659 -1.813 9.643 1.00 0.00 C ATOM 580 OE1 GLU A 40 5.097 -2.527 8.717 1.00 0.00 O ATOM 581 OE2 GLU A 40 5.395 -1.232 10.468 1.00 0.00 O ATOM 0 H GLU A 40 4.726 -1.035 7.450 1.00 0.00 H new ATOM 0 HA GLU A 40 2.789 0.926 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.539 -0.577 8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.475 -1.546 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.934 -1.121 10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.691 -2.627 9.840 1.00 0.00 H new ATOM 588 N GLU A 41 3.163 2.507 9.318 1.00 0.00 N ATOM 589 CA GLU A 41 3.322 3.460 10.410 1.00 0.00 C ATOM 590 C GLU A 41 2.398 3.112 11.574 1.00 0.00 C ATOM 591 O GLU A 41 2.853 2.695 12.639 1.00 0.00 O ATOM 592 CB GLU A 41 3.034 4.881 9.923 1.00 0.00 C ATOM 593 CG GLU A 41 3.812 5.951 10.672 1.00 0.00 C ATOM 594 CD GLU A 41 3.779 7.295 9.971 1.00 0.00 C ATOM 595 OE1 GLU A 41 4.191 7.359 8.794 1.00 0.00 O ATOM 596 OE2 GLU A 41 3.340 8.281 10.598 1.00 0.00 O ATOM 0 H GLU A 41 2.710 2.889 8.487 1.00 0.00 H new ATOM 0 HA GLU A 41 4.353 3.406 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.272 4.947 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.967 5.081 10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.400 6.059 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.847 5.630 10.785 1.00 0.00 H new ATOM 603 N ASP A 42 1.099 3.288 11.362 1.00 0.00 N ATOM 604 CA ASP A 42 0.109 2.994 12.392 1.00 0.00 C ATOM 605 C ASP A 42 -0.905 1.967 11.895 1.00 0.00 C ATOM 606 O ASP A 42 -0.799 1.471 10.773 1.00 0.00 O ATOM 607 CB ASP A 42 -0.610 4.274 12.819 1.00 0.00 C ATOM 608 CG ASP A 42 0.353 5.398 13.145 1.00 0.00 C ATOM 609 OD1 ASP A 42 1.059 5.297 14.171 1.00 0.00 O ATOM 610 OD2 ASP A 42 0.401 6.379 12.374 1.00 0.00 O ATOM 0 H ASP A 42 0.706 3.633 10.486 1.00 0.00 H new ATOM 0 HA ASP A 42 0.630 2.575 13.253 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.280 4.594 12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.229 4.066 13.691 1.00 0.00 H new ATOM 615 N GLN A 43 -1.884 1.654 12.737 1.00 0.00 N ATOM 616 CA GLN A 43 -2.914 0.686 12.383 1.00 0.00 C ATOM 617 C GLN A 43 -3.909 1.286 11.394 1.00 0.00 C ATOM 618 O GLN A 43 -4.672 0.565 10.753 1.00 0.00 O ATOM 619 CB GLN A 43 -3.648 0.209 13.638 1.00 0.00 C ATOM 620 CG GLN A 43 -2.806 -0.687 14.532 1.00 0.00 C ATOM 621 CD GLN A 43 -3.647 -1.632 15.367 1.00 0.00 C ATOM 622 OE1 GLN A 43 -4.494 -2.356 14.843 1.00 0.00 O ATOM 623 NE2 GLN A 43 -3.415 -1.633 16.674 1.00 0.00 N ATOM 0 H GLN A 43 -1.985 2.057 13.669 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.428 -0.167 11.909 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.973 1.078 14.211 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.547 -0.331 13.340 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.119 -1.266 13.916 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.198 -0.068 15.192 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.703 -1.016 17.066 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.948 -2.250 17.286 1.00 0.00 H new ATOM 632 N GLU A 44 -3.894 2.610 11.278 1.00 0.00 N ATOM 633 CA GLU A 44 -4.796 3.307 10.368 1.00 0.00 C ATOM 634 C GLU A 44 -4.047 3.805 9.136 1.00 0.00 C ATOM 635 O GLU A 44 -4.617 3.903 8.049 1.00 0.00 O ATOM 636 CB GLU A 44 -5.466 4.484 11.081 1.00 0.00 C ATOM 637 CG GLU A 44 -6.041 4.124 12.441 1.00 0.00 C ATOM 638 CD GLU A 44 -5.044 4.318 13.567 1.00 0.00 C ATOM 639 OE1 GLU A 44 -4.069 5.073 13.372 1.00 0.00 O ATOM 640 OE2 GLU A 44 -5.240 3.714 14.642 1.00 0.00 O ATOM 0 H GLU A 44 -3.268 3.221 11.802 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.563 2.602 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.738 5.285 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.265 4.873 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.922 4.736 12.632 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.371 3.085 12.428 1.00 0.00 H new ATOM 647 N TRP A 45 -2.769 4.118 9.313 1.00 0.00 N ATOM 648 CA TRP A 45 -1.942 4.605 8.215 1.00 0.00 C ATOM 649 C TRP A 45 -0.751 3.683 7.979 1.00 0.00 C ATOM 650 O TRP A 45 -0.004 3.369 8.906 1.00 0.00 O ATOM 651 CB TRP A 45 -1.454 6.025 8.510 1.00 0.00 C ATOM 652 CG TRP A 45 -2.558 7.038 8.547 1.00 0.00 C ATOM 653 CD1 TRP A 45 -3.469 7.221 9.546 1.00 0.00 C ATOM 654 CD2 TRP A 45 -2.866 8.005 7.536 1.00 0.00 C ATOM 655 NE1 TRP A 45 -4.327 8.243 9.219 1.00 0.00 N ATOM 656 CE2 TRP A 45 -3.977 8.742 7.992 1.00 0.00 C ATOM 657 CE3 TRP A 45 -2.311 8.322 6.295 1.00 0.00 C ATOM 658 CZ2 TRP A 45 -4.542 9.774 7.247 1.00 0.00 C ATOM 659 CZ3 TRP A 45 -2.873 9.346 5.556 1.00 0.00 C ATOM 660 CH2 TRP A 45 -3.978 10.062 6.034 1.00 0.00 C ATOM 0 H TRP A 45 -2.283 4.043 10.206 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.551 4.617 7.311 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.933 6.031 9.468 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.728 6.317 7.751 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.510 6.647 10.460 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -5.099 8.576 9.796 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.458 7.777 5.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -5.394 10.327 7.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.453 9.598 4.594 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.393 10.857 5.433 1.00 0.00 H new ATOM 671 N TRP A 46 -0.579 3.254 6.734 1.00 0.00 N ATOM 672 CA TRP A 46 0.523 2.368 6.377 1.00 0.00 C ATOM 673 C TRP A 46 1.427 3.015 5.335 1.00 0.00 C ATOM 674 O TRP A 46 1.038 3.980 4.675 1.00 0.00 O ATOM 675 CB TRP A 46 -0.018 1.039 5.846 1.00 0.00 C ATOM 676 CG TRP A 46 -0.600 0.164 6.915 1.00 0.00 C ATOM 677 CD1 TRP A 46 -0.514 0.353 8.264 1.00 0.00 C ATOM 678 CD2 TRP A 46 -1.357 -1.034 6.722 1.00 0.00 C ATOM 679 NE1 TRP A 46 -1.172 -0.658 8.923 1.00 0.00 N ATOM 680 CE2 TRP A 46 -1.699 -1.522 7.999 1.00 0.00 C ATOM 681 CE3 TRP A 46 -1.782 -1.744 5.596 1.00 0.00 C ATOM 682 CZ2 TRP A 46 -2.443 -2.685 8.178 1.00 0.00 C ATOM 683 CZ3 TRP A 46 -2.521 -2.899 5.774 1.00 0.00 C ATOM 684 CH2 TRP A 46 -2.845 -3.360 7.057 1.00 0.00 C ATOM 0 H TRP A 46 -1.188 3.505 5.955 1.00 0.00 H new ATOM 0 HA TRP A 46 1.112 2.181 7.275 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.782 1.240 5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.787 0.501 5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.004 1.176 8.743 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.255 -0.750 9.935 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.537 -1.396 4.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -2.694 -3.042 9.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.854 -3.455 4.910 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.423 -4.266 7.164 1.00 0.00 H new ATOM 695 N ILE A 47 2.636 2.482 5.192 1.00 0.00 N ATOM 696 CA ILE A 47 3.594 3.008 4.228 1.00 0.00 C ATOM 697 C ILE A 47 3.953 1.961 3.181 1.00 0.00 C ATOM 698 O ILE A 47 4.200 0.800 3.508 1.00 0.00 O ATOM 699 CB ILE A 47 4.883 3.489 4.921 1.00 0.00 C ATOM 700 CG1 ILE A 47 4.550 4.488 6.030 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.830 4.110 3.906 1.00 0.00 C ATOM 702 CD1 ILE A 47 5.741 4.865 6.882 1.00 0.00 C ATOM 0 H ILE A 47 2.975 1.686 5.732 1.00 0.00 H new ATOM 0 HA ILE A 47 3.116 3.857 3.739 1.00 0.00 H new ATOM 0 HB ILE A 47 5.379 2.629 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.134 5.390 5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.776 4.064 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.736 4.445 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.089 3.369 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.345 4.961 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.430 5.576 7.647 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.144 3.972 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.508 5.319 6.255 1.00 0.00 H new ATOM 714 N GLY A 48 3.982 2.378 1.919 1.00 0.00 N ATOM 715 CA GLY A 48 4.314 1.463 0.842 1.00 0.00 C ATOM 716 C GLY A 48 4.694 2.185 -0.436 1.00 0.00 C ATOM 717 O GLY A 48 4.578 3.409 -0.524 1.00 0.00 O ATOM 0 H GLY A 48 3.782 3.333 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.140 0.824 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.462 0.811 0.648 1.00 0.00 H new ATOM 721 N HIS A 49 5.151 1.428 -1.428 1.00 0.00 N ATOM 722 CA HIS A 49 5.550 2.003 -2.707 1.00 0.00 C ATOM 723 C HIS A 49 4.676 1.473 -3.839 1.00 0.00 C ATOM 724 O HIS A 49 4.340 0.289 -3.875 1.00 0.00 O ATOM 725 CB HIS A 49 7.019 1.692 -2.994 1.00 0.00 C ATOM 726 CG HIS A 49 7.359 0.239 -2.866 1.00 0.00 C ATOM 727 ND1 HIS A 49 6.784 -0.740 -3.650 1.00 0.00 N ATOM 728 CD2 HIS A 49 8.222 -0.400 -2.042 1.00 0.00 C ATOM 729 CE1 HIS A 49 7.277 -1.918 -3.311 1.00 0.00 C ATOM 730 NE2 HIS A 49 8.152 -1.738 -2.338 1.00 0.00 N ATOM 0 H HIS A 49 5.254 0.415 -1.371 1.00 0.00 H new ATOM 0 HA HIS A 49 5.419 3.083 -2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.262 2.026 -4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.644 2.265 -2.309 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.087 -0.579 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.849 0.058 -1.291 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.010 -2.866 -3.754 1.00 0.00 H new ATOM 739 N ILE A 50 4.307 2.357 -4.760 1.00 0.00 N ATOM 740 CA ILE A 50 3.471 1.978 -5.892 1.00 0.00 C ATOM 741 C ILE A 50 4.108 0.844 -6.690 1.00 0.00 C ATOM 742 O ILE A 50 5.181 1.008 -7.269 1.00 0.00 O ATOM 743 CB ILE A 50 3.219 3.172 -6.831 1.00 0.00 C ATOM 744 CG1 ILE A 50 2.516 4.303 -6.076 1.00 0.00 C ATOM 745 CG2 ILE A 50 2.392 2.736 -8.032 1.00 0.00 C ATOM 746 CD1 ILE A 50 1.169 3.908 -5.513 1.00 0.00 C ATOM 0 H ILE A 50 4.574 3.341 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 50 2.519 1.642 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 50 4.179 3.542 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.157 4.638 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.385 5.151 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.222 3.591 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.927 1.960 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.434 2.344 -7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.729 4.758 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.511 3.601 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.295 3.080 -4.815 1.00 0.00 H new ATOM 758 N GLU A 51 3.437 -0.303 -6.715 1.00 0.00 N ATOM 759 CA GLU A 51 3.937 -1.463 -7.443 1.00 0.00 C ATOM 760 C GLU A 51 4.671 -1.035 -8.711 1.00 0.00 C ATOM 761 O GLU A 51 4.202 -0.171 -9.451 1.00 0.00 O ATOM 762 CB GLU A 51 2.785 -2.405 -7.801 1.00 0.00 C ATOM 763 CG GLU A 51 3.239 -3.801 -8.191 1.00 0.00 C ATOM 764 CD GLU A 51 3.546 -3.921 -9.672 1.00 0.00 C ATOM 765 OE1 GLU A 51 3.866 -2.890 -10.298 1.00 0.00 O ATOM 766 OE2 GLU A 51 3.466 -5.049 -10.204 1.00 0.00 O ATOM 0 H GLU A 51 2.547 -0.454 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 51 4.640 -1.989 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.108 -2.477 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.217 -1.973 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.127 -4.064 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.463 -4.519 -7.925 1.00 0.00 H new ATOM 773 N GLY A 52 5.826 -1.648 -8.955 1.00 0.00 N ATOM 774 CA GLY A 52 6.606 -1.317 -10.133 1.00 0.00 C ATOM 775 C GLY A 52 7.431 -0.059 -9.948 1.00 0.00 C ATOM 776 O GLY A 52 8.592 -0.004 -10.351 1.00 0.00 O ATOM 0 H GLY A 52 6.235 -2.367 -8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.268 -2.150 -10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.937 -1.187 -10.983 1.00 0.00 H new ATOM 780 N GLN A 53 6.828 0.957 -9.338 1.00 0.00 N ATOM 781 CA GLN A 53 7.513 2.223 -9.103 1.00 0.00 C ATOM 782 C GLN A 53 7.909 2.363 -7.636 1.00 0.00 C ATOM 783 O GLN A 53 7.144 2.857 -6.808 1.00 0.00 O ATOM 784 CB GLN A 53 6.622 3.395 -9.519 1.00 0.00 C ATOM 785 CG GLN A 53 6.686 3.710 -11.005 1.00 0.00 C ATOM 786 CD GLN A 53 5.784 2.814 -11.830 1.00 0.00 C ATOM 787 OE1 GLN A 53 6.253 2.048 -12.672 1.00 0.00 O ATOM 788 NE2 GLN A 53 4.480 2.907 -11.593 1.00 0.00 N ATOM 0 H GLN A 53 5.867 0.928 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 53 8.420 2.235 -9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.590 3.171 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.914 4.281 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.403 4.750 -11.165 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.714 3.603 -11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.135 3.556 -10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.824 2.330 -12.119 1.00 0.00 H new ATOM 797 N PRO A 54 9.131 1.920 -7.307 1.00 0.00 N ATOM 798 CA PRO A 54 9.655 1.987 -5.939 1.00 0.00 C ATOM 799 C PRO A 54 9.948 3.417 -5.500 1.00 0.00 C ATOM 800 O PRO A 54 9.696 3.787 -4.354 1.00 0.00 O ATOM 801 CB PRO A 54 10.951 1.174 -6.017 1.00 0.00 C ATOM 802 CG PRO A 54 11.368 1.261 -7.445 1.00 0.00 C ATOM 803 CD PRO A 54 10.095 1.321 -8.244 1.00 0.00 C ATOM 0 HA PRO A 54 8.940 1.607 -5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.715 1.583 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.788 0.140 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.981 2.145 -7.620 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.968 0.397 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.213 1.928 -9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.777 0.330 -8.568 1.00 0.00 H new ATOM 811 N GLU A 55 10.482 4.217 -6.419 1.00 0.00 N ATOM 812 CA GLU A 55 10.810 5.606 -6.124 1.00 0.00 C ATOM 813 C GLU A 55 9.688 6.274 -5.334 1.00 0.00 C ATOM 814 O GLU A 55 9.940 7.052 -4.414 1.00 0.00 O ATOM 815 CB GLU A 55 11.066 6.379 -7.420 1.00 0.00 C ATOM 816 CG GLU A 55 9.892 6.355 -8.384 1.00 0.00 C ATOM 817 CD GLU A 55 10.114 7.240 -9.595 1.00 0.00 C ATOM 818 OE1 GLU A 55 10.803 8.272 -9.458 1.00 0.00 O ATOM 819 OE2 GLU A 55 9.599 6.900 -10.681 1.00 0.00 O ATOM 0 H GLU A 55 10.696 3.926 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 55 11.715 5.618 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.303 7.414 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.942 5.960 -7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.718 5.331 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.991 6.679 -7.862 1.00 0.00 H new ATOM 826 N ARG A 56 8.448 5.962 -5.699 1.00 0.00 N ATOM 827 CA ARG A 56 7.287 6.533 -5.027 1.00 0.00 C ATOM 828 C ARG A 56 6.954 5.750 -3.760 1.00 0.00 C ATOM 829 O ARG A 56 6.406 4.650 -3.822 1.00 0.00 O ATOM 830 CB ARG A 56 6.080 6.541 -5.967 1.00 0.00 C ATOM 831 CG ARG A 56 6.259 7.438 -7.181 1.00 0.00 C ATOM 832 CD ARG A 56 4.934 7.706 -7.876 1.00 0.00 C ATOM 833 NE ARG A 56 4.118 8.671 -7.143 1.00 0.00 N ATOM 834 CZ ARG A 56 4.279 9.986 -7.231 1.00 0.00 C ATOM 835 NH1 ARG A 56 5.221 10.491 -8.016 1.00 0.00 N ATOM 836 NH2 ARG A 56 3.497 10.800 -6.534 1.00 0.00 N ATOM 0 H ARG A 56 8.222 5.317 -6.456 1.00 0.00 H new ATOM 0 HA ARG A 56 7.527 7.559 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.886 5.523 -6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.200 6.866 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.707 8.383 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.950 6.970 -7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.121 8.080 -8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.384 6.771 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 56 3.384 8.315 -6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.824 9.869 -8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.342 11.502 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.771 10.416 -5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.622 11.810 -6.603 1.00 0.00 H new ATOM 850 N LYS A 57 7.289 6.326 -2.610 1.00 0.00 N ATOM 851 CA LYS A 57 7.026 5.685 -1.327 1.00 0.00 C ATOM 852 C LYS A 57 6.618 6.714 -0.278 1.00 0.00 C ATOM 853 O LYS A 57 7.403 7.587 0.087 1.00 0.00 O ATOM 854 CB LYS A 57 8.264 4.920 -0.853 1.00 0.00 C ATOM 855 CG LYS A 57 9.487 5.801 -0.661 1.00 0.00 C ATOM 856 CD LYS A 57 10.764 4.979 -0.616 1.00 0.00 C ATOM 857 CE LYS A 57 11.972 5.802 -1.038 1.00 0.00 C ATOM 858 NZ LYS A 57 13.227 5.003 -1.004 1.00 0.00 N ATOM 0 H LYS A 57 7.744 7.236 -2.541 1.00 0.00 H new ATOM 0 HA LYS A 57 6.202 4.984 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.034 4.421 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.498 4.140 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.547 6.524 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.386 6.369 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.917 4.598 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.665 4.114 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.814 6.188 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.072 6.664 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.026 5.600 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.391 4.656 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.141 4.194 -1.653 1.00 0.00 H new ATOM 872 N GLY A 58 5.384 6.604 0.204 1.00 0.00 N ATOM 873 CA GLY A 58 4.894 7.531 1.208 1.00 0.00 C ATOM 874 C GLY A 58 3.721 6.973 1.989 1.00 0.00 C ATOM 875 O GLY A 58 3.007 6.093 1.508 1.00 0.00 O ATOM 0 H GLY A 58 4.715 5.890 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.702 7.776 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.595 8.461 0.724 1.00 0.00 H new ATOM 879 N VAL A 59 3.523 7.482 3.201 1.00 0.00 N ATOM 880 CA VAL A 59 2.430 7.028 4.052 1.00 0.00 C ATOM 881 C VAL A 59 1.080 7.263 3.384 1.00 0.00 C ATOM 882 O VAL A 59 0.887 8.256 2.680 1.00 0.00 O ATOM 883 CB VAL A 59 2.447 7.743 5.416 1.00 0.00 C ATOM 884 CG1 VAL A 59 2.262 9.242 5.236 1.00 0.00 C ATOM 885 CG2 VAL A 59 1.373 7.172 6.330 1.00 0.00 C ATOM 0 H VAL A 59 4.106 8.209 3.615 1.00 0.00 H new ATOM 0 HA VAL A 59 2.573 5.959 4.209 1.00 0.00 H new ATOM 0 HB VAL A 59 3.417 7.574 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.277 9.730 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.070 9.637 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.306 9.435 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.399 7.689 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.394 7.309 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.555 6.109 6.486 1.00 0.00 H new ATOM 895 N PHE A 60 0.146 6.345 3.609 1.00 0.00 N ATOM 896 CA PHE A 60 -1.188 6.452 3.028 1.00 0.00 C ATOM 897 C PHE A 60 -2.236 5.854 3.961 1.00 0.00 C ATOM 898 O PHE A 60 -1.964 4.936 4.736 1.00 0.00 O ATOM 899 CB PHE A 60 -1.234 5.746 1.672 1.00 0.00 C ATOM 900 CG PHE A 60 -0.902 4.283 1.745 1.00 0.00 C ATOM 901 CD1 PHE A 60 0.406 3.864 1.930 1.00 0.00 C ATOM 902 CD2 PHE A 60 -1.899 3.327 1.631 1.00 0.00 C ATOM 903 CE1 PHE A 60 0.713 2.518 1.997 1.00 0.00 C ATOM 904 CE2 PHE A 60 -1.596 1.979 1.697 1.00 0.00 C ATOM 905 CZ PHE A 60 -0.289 1.575 1.883 1.00 0.00 C ATOM 0 H PHE A 60 0.288 5.518 4.190 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.413 7.509 2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.230 5.863 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.536 6.235 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.194 4.597 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.924 3.638 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.737 2.204 2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.381 1.243 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.051 0.523 1.939 1.00 0.00 H new ATOM 915 N PRO A 61 -3.465 6.387 3.888 1.00 0.00 N ATOM 916 CA PRO A 61 -4.580 5.922 4.719 1.00 0.00 C ATOM 917 C PRO A 61 -5.055 4.528 4.325 1.00 0.00 C ATOM 918 O PRO A 61 -5.459 4.298 3.185 1.00 0.00 O ATOM 919 CB PRO A 61 -5.677 6.956 4.451 1.00 0.00 C ATOM 920 CG PRO A 61 -5.360 7.503 3.102 1.00 0.00 C ATOM 921 CD PRO A 61 -3.861 7.483 2.989 1.00 0.00 C ATOM 0 HA PRO A 61 -4.299 5.840 5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.666 6.498 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.674 7.741 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.818 6.900 2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.746 8.516 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.538 7.299 1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.422 8.433 3.296 1.00 0.00 H new ATOM 929 N VAL A 62 -5.003 3.599 5.275 1.00 0.00 N ATOM 930 CA VAL A 62 -5.430 2.228 5.027 1.00 0.00 C ATOM 931 C VAL A 62 -6.920 2.164 4.710 1.00 0.00 C ATOM 932 O VAL A 62 -7.375 1.270 3.997 1.00 0.00 O ATOM 933 CB VAL A 62 -5.134 1.321 6.237 1.00 0.00 C ATOM 934 CG1 VAL A 62 -5.568 -0.109 5.952 1.00 0.00 C ATOM 935 CG2 VAL A 62 -3.657 1.377 6.597 1.00 0.00 C ATOM 0 H VAL A 62 -4.669 3.772 6.223 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.864 1.871 4.167 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.706 1.686 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.351 -0.735 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.639 -0.131 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.026 -0.488 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.467 0.730 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.063 1.039 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.382 2.402 6.848 1.00 0.00 H new ATOM 945 N SER A 63 -7.674 3.119 5.244 1.00 0.00 N ATOM 946 CA SER A 63 -9.114 3.170 5.020 1.00 0.00 C ATOM 947 C SER A 63 -9.426 3.463 3.556 1.00 0.00 C ATOM 948 O SER A 63 -10.581 3.404 3.132 1.00 0.00 O ATOM 949 CB SER A 63 -9.752 4.235 5.914 1.00 0.00 C ATOM 950 OG SER A 63 -9.119 5.491 5.741 1.00 0.00 O ATOM 0 H SER A 63 -7.312 3.868 5.835 1.00 0.00 H new ATOM 0 HA SER A 63 -9.532 2.196 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.813 4.323 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.681 3.929 6.958 1.00 0.00 H new ATOM 0 HG SER A 63 -9.546 6.155 6.322 1.00 0.00 H new ATOM 956 N PHE A 64 -8.389 3.780 2.788 1.00 0.00 N ATOM 957 CA PHE A 64 -8.551 4.084 1.371 1.00 0.00 C ATOM 958 C PHE A 64 -8.147 2.891 0.509 1.00 0.00 C ATOM 959 O PHE A 64 -8.485 2.822 -0.673 1.00 0.00 O ATOM 960 CB PHE A 64 -7.716 5.308 0.992 1.00 0.00 C ATOM 961 CG PHE A 64 -8.414 6.613 1.247 1.00 0.00 C ATOM 962 CD1 PHE A 64 -8.838 6.950 2.523 1.00 0.00 C ATOM 963 CD2 PHE A 64 -8.648 7.503 0.210 1.00 0.00 C ATOM 964 CE1 PHE A 64 -9.482 8.150 2.758 1.00 0.00 C ATOM 965 CE2 PHE A 64 -9.291 8.704 0.441 1.00 0.00 C ATOM 966 CZ PHE A 64 -9.707 9.028 1.717 1.00 0.00 C ATOM 0 H PHE A 64 -7.427 3.833 3.123 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.604 4.301 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.782 5.289 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.454 5.246 -0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.663 6.268 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.324 7.255 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.809 8.401 3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.468 9.388 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.208 9.967 1.900 1.00 0.00 H new ATOM 976 N VAL A 65 -7.421 1.953 1.110 1.00 0.00 N ATOM 977 CA VAL A 65 -6.970 0.763 0.399 1.00 0.00 C ATOM 978 C VAL A 65 -7.566 -0.500 1.010 1.00 0.00 C ATOM 979 O VAL A 65 -7.929 -0.522 2.187 1.00 0.00 O ATOM 980 CB VAL A 65 -5.435 0.651 0.410 1.00 0.00 C ATOM 981 CG1 VAL A 65 -4.802 1.926 -0.125 1.00 0.00 C ATOM 982 CG2 VAL A 65 -4.932 0.345 1.813 1.00 0.00 C ATOM 0 H VAL A 65 -7.133 1.995 2.088 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.312 0.861 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.145 -0.172 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.717 1.828 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.136 2.096 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.099 2.769 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.845 0.269 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.233 1.145 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.358 -0.599 2.154 1.00 0.00 H new ATOM 992 N HIS A 66 -7.663 -1.553 0.204 1.00 0.00 N ATOM 993 CA HIS A 66 -8.213 -2.822 0.666 1.00 0.00 C ATOM 994 C HIS A 66 -7.225 -3.961 0.428 1.00 0.00 C ATOM 995 O HIS A 66 -6.782 -4.186 -0.698 1.00 0.00 O ATOM 996 CB HIS A 66 -9.532 -3.119 -0.046 1.00 0.00 C ATOM 997 CG HIS A 66 -9.378 -3.982 -1.260 1.00 0.00 C ATOM 998 ND1 HIS A 66 -8.970 -3.495 -2.483 1.00 0.00 N ATOM 999 CD2 HIS A 66 -9.577 -5.310 -1.433 1.00 0.00 C ATOM 1000 CE1 HIS A 66 -8.926 -4.484 -3.357 1.00 0.00 C ATOM 1001 NE2 HIS A 66 -9.290 -5.597 -2.744 1.00 0.00 N ATOM 0 H HIS A 66 -7.368 -1.552 -0.772 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.397 -2.742 1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.210 -3.608 0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.998 -2.178 -0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.901 -6.013 -0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.641 -4.398 -4.395 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.348 -6.519 -3.175 1.00 0.00 H new ATOM 1010 N ILE A 67 -6.885 -4.675 1.496 1.00 0.00 N ATOM 1011 CA ILE A 67 -5.951 -5.790 1.402 1.00 0.00 C ATOM 1012 C ILE A 67 -6.447 -6.841 0.415 1.00 0.00 C ATOM 1013 O ILE A 67 -7.557 -7.359 0.547 1.00 0.00 O ATOM 1014 CB ILE A 67 -5.729 -6.454 2.774 1.00 0.00 C ATOM 1015 CG1 ILE A 67 -5.040 -5.481 3.731 1.00 0.00 C ATOM 1016 CG2 ILE A 67 -4.907 -7.726 2.620 1.00 0.00 C ATOM 1017 CD1 ILE A 67 -5.115 -5.904 5.182 1.00 0.00 C ATOM 0 H ILE A 67 -7.242 -4.501 2.436 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.005 -5.381 1.048 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.699 -6.720 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.993 -5.382 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.495 -4.496 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.758 -8.184 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.434 -8.423 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.939 -7.483 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.606 -5.167 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.159 -5.975 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.634 -6.875 5.303 1.00 0.00 H new ATOM 1029 N LEU A 68 -5.617 -7.153 -0.574 1.00 0.00 N ATOM 1030 CA LEU A 68 -5.969 -8.145 -1.585 1.00 0.00 C ATOM 1031 C LEU A 68 -5.839 -9.560 -1.028 1.00 0.00 C ATOM 1032 O LEU A 68 -4.821 -9.912 -0.432 1.00 0.00 O ATOM 1033 CB LEU A 68 -5.077 -7.986 -2.817 1.00 0.00 C ATOM 1034 CG LEU A 68 -4.861 -6.554 -3.309 1.00 0.00 C ATOM 1035 CD1 LEU A 68 -3.634 -6.476 -4.204 1.00 0.00 C ATOM 1036 CD2 LEU A 68 -6.094 -6.051 -4.046 1.00 0.00 C ATOM 0 H LEU A 68 -4.695 -6.734 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.007 -7.981 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.104 -8.423 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.509 -8.567 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.694 -5.914 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.497 -5.450 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.754 -6.794 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.770 -7.129 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.922 -5.031 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.292 -6.693 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.952 -6.068 -3.374 1.00 0.00 H new ATOM 1048 N SER A 69 -6.876 -10.366 -1.229 1.00 0.00 N ATOM 1049 CA SER A 69 -6.878 -11.743 -0.746 1.00 0.00 C ATOM 1050 C SER A 69 -7.171 -12.717 -1.883 1.00 0.00 C ATOM 1051 O SER A 69 -8.137 -12.548 -2.627 1.00 0.00 O ATOM 1052 CB SER A 69 -7.915 -11.913 0.366 1.00 0.00 C ATOM 1053 OG SER A 69 -9.225 -11.671 -0.116 1.00 0.00 O ATOM 0 H SER A 69 -7.725 -10.090 -1.722 1.00 0.00 H new ATOM 0 HA SER A 69 -5.888 -11.964 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.855 -12.923 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.692 -11.227 1.183 1.00 0.00 H new ATOM 0 HG SER A 69 -9.246 -11.803 -1.087 1.00 0.00 H new ATOM 1059 N ASP A 70 -6.329 -13.737 -2.010 1.00 0.00 N ATOM 1060 CA ASP A 70 -6.496 -14.740 -3.055 1.00 0.00 C ATOM 1061 C ASP A 70 -6.793 -16.109 -2.451 1.00 0.00 C ATOM 1062 O ASP A 70 -5.885 -16.909 -2.226 1.00 0.00 O ATOM 1063 CB ASP A 70 -5.242 -14.814 -3.926 1.00 0.00 C ATOM 1064 CG ASP A 70 -3.966 -14.814 -3.106 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -3.528 -15.907 -2.693 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -3.408 -13.720 -2.877 1.00 0.00 O ATOM 0 H ASP A 70 -5.524 -13.891 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.342 -14.445 -3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.279 -15.717 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.229 -13.967 -4.612 1.00 0.00 H new ATOM 1071 N SER A 71 -8.070 -16.371 -2.191 1.00 0.00 N ATOM 1072 CA SER A 71 -8.485 -17.643 -1.609 1.00 0.00 C ATOM 1073 C SER A 71 -8.985 -18.598 -2.689 1.00 0.00 C ATOM 1074 O SER A 71 -9.971 -18.320 -3.370 1.00 0.00 O ATOM 1075 CB SER A 71 -9.582 -17.415 -0.566 1.00 0.00 C ATOM 1076 OG SER A 71 -9.163 -16.488 0.421 1.00 0.00 O ATOM 0 H SER A 71 -8.834 -15.721 -2.374 1.00 0.00 H new ATOM 0 HA SER A 71 -7.619 -18.093 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.483 -17.047 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.841 -18.362 -0.093 1.00 0.00 H new ATOM 0 HG SER A 71 -9.882 -16.358 1.074 1.00 0.00 H new ATOM 1082 N GLY A 72 -8.296 -19.724 -2.838 1.00 0.00 N ATOM 1083 CA GLY A 72 -8.682 -20.704 -3.836 1.00 0.00 C ATOM 1084 C GLY A 72 -8.921 -22.077 -3.240 1.00 0.00 C ATOM 1085 O GLY A 72 -8.018 -22.911 -3.169 1.00 0.00 O ATOM 0 H GLY A 72 -7.477 -19.976 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.588 -20.367 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.902 -20.772 -4.595 1.00 0.00 H new ATOM 1089 N PRO A 73 -10.161 -22.327 -2.795 1.00 0.00 N ATOM 1090 CA PRO A 73 -10.543 -23.607 -2.193 1.00 0.00 C ATOM 1091 C PRO A 73 -10.574 -24.741 -3.210 1.00 0.00 C ATOM 1092 O PRO A 73 -11.248 -24.648 -4.237 1.00 0.00 O ATOM 1093 CB PRO A 73 -11.948 -23.339 -1.648 1.00 0.00 C ATOM 1094 CG PRO A 73 -12.475 -22.228 -2.492 1.00 0.00 C ATOM 1095 CD PRO A 73 -11.286 -21.378 -2.847 1.00 0.00 C ATOM 0 HA PRO A 73 -9.830 -23.927 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.577 -24.226 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.918 -23.057 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.960 -22.615 -3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.222 -21.647 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.391 -20.933 -3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.153 -20.558 -2.141 1.00 0.00 H new ATOM 1103 N SER A 74 -9.843 -25.812 -2.921 1.00 0.00 N ATOM 1104 CA SER A 74 -9.784 -26.964 -3.814 1.00 0.00 C ATOM 1105 C SER A 74 -10.710 -28.075 -3.328 1.00 0.00 C ATOM 1106 O SER A 74 -10.792 -28.352 -2.131 1.00 0.00 O ATOM 1107 CB SER A 74 -8.350 -27.486 -3.914 1.00 0.00 C ATOM 1108 OG SER A 74 -7.803 -27.723 -2.628 1.00 0.00 O ATOM 0 H SER A 74 -9.282 -25.907 -2.074 1.00 0.00 H new ATOM 0 HA SER A 74 -10.115 -26.645 -4.802 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.335 -28.408 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.733 -26.763 -4.448 1.00 0.00 H new ATOM 0 HG SER A 74 -6.886 -28.058 -2.719 1.00 0.00 H new ATOM 1114 N SER A 75 -11.406 -28.709 -4.267 1.00 0.00 N ATOM 1115 CA SER A 75 -12.329 -29.788 -3.935 1.00 0.00 C ATOM 1116 C SER A 75 -11.776 -31.135 -4.391 1.00 0.00 C ATOM 1117 O SER A 75 -10.754 -31.200 -5.074 1.00 0.00 O ATOM 1118 CB SER A 75 -13.692 -29.538 -4.583 1.00 0.00 C ATOM 1119 OG SER A 75 -13.566 -29.353 -5.983 1.00 0.00 O ATOM 0 H SER A 75 -11.348 -28.494 -5.262 1.00 0.00 H new ATOM 0 HA SER A 75 -12.448 -29.811 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.353 -30.381 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.154 -28.657 -4.137 1.00 0.00 H new ATOM 0 HG SER A 75 -14.451 -29.197 -6.373 1.00 0.00 H new ATOM 1125 N GLY A 76 -12.458 -32.210 -4.006 1.00 0.00 N ATOM 1126 CA GLY A 76 -12.020 -33.541 -4.383 1.00 0.00 C ATOM 1127 C GLY A 76 -11.743 -33.661 -5.868 1.00 0.00 C ATOM 1128 O GLY A 76 -12.654 -33.556 -6.688 1.00 0.00 O ATOM 0 H GLY A 76 -13.306 -32.182 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.118 -33.794 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.783 -34.265 -4.099 1.00 0.00 H new TER 1132 GLY A 76