USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1005 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 121 CYS SG : rot 180:sc= -0.464 USER MOD Set 1.2: A 125 ASN : amide:sc= -0.836 K(o=-1.3,f=-0.08!) USER MOD Set 2.1: A 80 CYS SG : rot 104:sc= -0.263! USER MOD Set 2.2: A 129 ASN : amide:sc= 0.968 K(o=0.71,f=-7.1!) USER MOD Single : A 20 ASN : amide:sc= -0.0637 K(o=-0.064,f=-0.92) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.101 (180deg=-0.766) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -2.66! (180deg=-2.95!) USER MOD Single : A 31 MET CE :methyl -166:sc= -0.832 (180deg=-1.41) USER MOD Single : A 32 SER OG : rot 180:sc= -0.987 USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= -0.541 (180deg=-2.4!) USER MOD Single : A 36 THR OG1 : rot 52:sc= 0.145 USER MOD Single : A 37 THR OG1 : rot 78:sc= 1.33 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -5.5! C(o=-5.5!,f=-4.3!) USER MOD Single : A 51 GLN : amide:sc= -0.798 K(o=-0.8,f=-5.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.37) USER MOD Single : A 60 CYS SG : rot -86:sc= 0.574 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 100:sc= -0.0639 USER MOD Single : A 66 SER OG : rot 180:sc= -0.515 USER MOD Single : A 68 ASN : amide:sc= -0.0245 K(o=-0.024,f=-1.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 1.55 K(o=1.6,f=-0.11) USER MOD Single : A 88 CYS SG : rot 29:sc= 0.044 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= -0.0261 (180deg=-0.447) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -108:sc= 0.922 (180deg=-0.15) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -4.21! C(o=-4.2!,f=-5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.725 K(o=-0.73,f=-2.8!) USER MOD Single : A 120 HIS : no HD1:sc= -3.34 K(o=-3.3,f=-5.4!) USER MOD Single : A 123 LYS NZ :NH3+ 173:sc= 0.292 (180deg=0.0742) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.787 X(o=-0.79,f=-0.87) USER MOD Single : B 940 GLN : amide:sc=-0.00504 X(o=-0.005,f=-0.35) USER MOD Single : B 950 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 20 102.436 4.975 13.859 1.00 0.00 N ATOM 2 CA ASN A 20 102.449 5.396 15.288 1.00 0.00 C ATOM 3 C ASN A 20 101.426 4.576 16.064 1.00 0.00 C ATOM 4 O ASN A 20 101.719 4.058 17.141 1.00 0.00 O ATOM 5 CB ASN A 20 102.105 6.885 15.381 1.00 0.00 C ATOM 6 CG ASN A 20 101.773 7.255 16.822 1.00 0.00 C ATOM 7 OD1 ASN A 20 100.613 7.184 17.230 1.00 0.00 O ATOM 8 ND2 ASN A 20 102.725 7.652 17.621 1.00 0.00 N ATOM 0 HA ASN A 20 103.439 5.230 15.714 1.00 0.00 H new ATOM 0 HB2 ASN A 20 102.945 7.483 15.028 1.00 0.00 H new ATOM 0 HB3 ASN A 20 101.257 7.112 14.734 1.00 0.00 H new ATOM 0 HD21 ASN A 20 102.509 7.904 18.585 1.00 0.00 H new ATOM 0 HD22 ASN A 20 103.685 7.710 17.281 1.00 0.00 H new ATOM 17 N LYS A 21 100.224 4.462 15.510 1.00 0.00 N ATOM 18 CA LYS A 21 99.165 3.700 16.161 1.00 0.00 C ATOM 19 C LYS A 21 98.288 3.011 15.117 1.00 0.00 C ATOM 20 O LYS A 21 97.111 3.339 14.969 1.00 0.00 O ATOM 21 CB LYS A 21 98.302 4.634 17.014 1.00 0.00 C ATOM 22 CG LYS A 21 97.502 3.814 18.029 1.00 0.00 C ATOM 23 CD LYS A 21 96.703 4.758 18.931 1.00 0.00 C ATOM 24 CE LYS A 21 96.051 3.954 20.057 1.00 0.00 C ATOM 25 NZ LYS A 21 97.114 3.377 20.927 1.00 0.00 N ATOM 0 H LYS A 21 99.960 4.883 14.619 1.00 0.00 H new ATOM 0 HA LYS A 21 99.622 2.943 16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 21 98.933 5.356 17.532 1.00 0.00 H new ATOM 0 HB3 LYS A 21 97.625 5.202 16.377 1.00 0.00 H new ATOM 0 HG2 LYS A 21 96.828 3.132 17.511 1.00 0.00 H new ATOM 0 HG3 LYS A 21 98.175 3.202 18.630 1.00 0.00 H new ATOM 0 HD2 LYS A 21 97.359 5.522 19.348 1.00 0.00 H new ATOM 0 HD3 LYS A 21 95.940 5.275 18.349 1.00 0.00 H new ATOM 0 HE2 LYS A 21 95.393 4.595 20.643 1.00 0.00 H new ATOM 0 HE3 LYS A 21 95.433 3.158 19.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 96.735 3.223 21.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 97.432 2.470 20.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 97.918 4.035 20.975 1.00 0.00 H new ATOM 39 N TYR A 22 98.871 2.054 14.396 1.00 0.00 N ATOM 40 CA TYR A 22 98.136 1.322 13.364 1.00 0.00 C ATOM 41 C TYR A 22 98.091 -0.161 13.706 1.00 0.00 C ATOM 42 O TYR A 22 99.113 -0.847 13.672 1.00 0.00 O ATOM 43 CB TYR A 22 98.821 1.512 12.014 1.00 0.00 C ATOM 44 CG TYR A 22 99.053 2.986 11.779 1.00 0.00 C ATOM 45 CD1 TYR A 22 100.360 3.483 11.679 1.00 0.00 C ATOM 46 CD2 TYR A 22 97.964 3.859 11.675 1.00 0.00 C ATOM 47 CE1 TYR A 22 100.575 4.849 11.467 1.00 0.00 C ATOM 48 CE2 TYR A 22 98.180 5.227 11.462 1.00 0.00 C ATOM 49 CZ TYR A 22 99.486 5.722 11.361 1.00 0.00 C ATOM 50 OH TYR A 22 99.698 7.070 11.150 1.00 0.00 O ATOM 0 H TYR A 22 99.844 1.768 14.506 1.00 0.00 H new ATOM 0 HA TYR A 22 97.118 1.708 13.314 1.00 0.00 H new ATOM 0 HB2 TYR A 22 99.769 0.975 11.995 1.00 0.00 H new ATOM 0 HB3 TYR A 22 98.203 1.097 11.217 1.00 0.00 H new ATOM 0 HD1 TYR A 22 101.201 2.811 11.766 1.00 0.00 H new ATOM 0 HD2 TYR A 22 96.957 3.478 11.759 1.00 0.00 H new ATOM 0 HE1 TYR A 22 101.582 5.230 11.385 1.00 0.00 H new ATOM 0 HE2 TYR A 22 97.339 5.900 11.376 1.00 0.00 H new ATOM 0 HH TYR A 22 98.836 7.533 11.100 1.00 0.00 H new ATOM 60 N LEU A 23 96.906 -0.654 14.042 1.00 0.00 N ATOM 61 CA LEU A 23 96.753 -2.059 14.392 1.00 0.00 C ATOM 62 C LEU A 23 96.426 -2.885 13.161 1.00 0.00 C ATOM 63 O LEU A 23 97.114 -3.858 12.852 1.00 0.00 O ATOM 64 CB LEU A 23 95.636 -2.215 15.422 1.00 0.00 C ATOM 65 CG LEU A 23 96.196 -2.768 16.731 1.00 0.00 C ATOM 66 CD1 LEU A 23 96.796 -4.157 16.496 1.00 0.00 C ATOM 67 CD2 LEU A 23 97.273 -1.822 17.276 1.00 0.00 C ATOM 0 H LEU A 23 96.045 -0.108 14.079 1.00 0.00 H new ATOM 0 HA LEU A 23 97.693 -2.415 14.813 1.00 0.00 H new ATOM 0 HB2 LEU A 23 95.160 -1.251 15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 23 94.867 -2.884 15.036 1.00 0.00 H new ATOM 0 HG LEU A 23 95.388 -2.848 17.458 1.00 0.00 H new ATOM 0 HD11 LEU A 23 97.193 -4.545 17.434 1.00 0.00 H new ATOM 0 HD12 LEU A 23 96.023 -4.829 16.124 1.00 0.00 H new ATOM 0 HD13 LEU A 23 97.600 -4.087 15.763 1.00 0.00 H new ATOM 0 HD21 LEU A 23 97.669 -2.221 18.210 1.00 0.00 H new ATOM 0 HD22 LEU A 23 98.080 -1.732 16.549 1.00 0.00 H new ATOM 0 HD23 LEU A 23 96.837 -0.840 17.457 1.00 0.00 H new ATOM 79 N VAL A 24 95.368 -2.490 12.466 1.00 0.00 N ATOM 80 CA VAL A 24 94.948 -3.201 11.261 1.00 0.00 C ATOM 81 C VAL A 24 94.963 -2.262 10.065 1.00 0.00 C ATOM 82 O VAL A 24 94.355 -1.191 10.085 1.00 0.00 O ATOM 83 CB VAL A 24 93.539 -3.764 11.439 1.00 0.00 C ATOM 84 CG1 VAL A 24 93.116 -4.510 10.170 1.00 0.00 C ATOM 85 CG2 VAL A 24 93.515 -4.724 12.631 1.00 0.00 C ATOM 0 H VAL A 24 94.787 -1.688 12.711 1.00 0.00 H new ATOM 0 HA VAL A 24 95.645 -4.021 11.088 1.00 0.00 H new ATOM 0 HB VAL A 24 92.845 -2.943 11.622 1.00 0.00 H new ATOM 0 HG11 VAL A 24 92.111 -4.910 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 24 93.126 -3.823 9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 24 93.810 -5.329 9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 24 92.509 -5.124 12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 24 94.212 -5.543 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 24 93.807 -4.189 13.535 1.00 0.00 H new ATOM 95 N GLU A 25 95.663 -2.674 9.020 1.00 0.00 N ATOM 96 CA GLU A 25 95.757 -1.867 7.813 1.00 0.00 C ATOM 97 C GLU A 25 96.042 -2.747 6.598 1.00 0.00 C ATOM 98 O GLU A 25 96.850 -3.673 6.666 1.00 0.00 O ATOM 99 CB GLU A 25 96.869 -0.831 7.973 1.00 0.00 C ATOM 100 CG GLU A 25 98.213 -1.542 8.167 1.00 0.00 C ATOM 101 CD GLU A 25 98.820 -1.927 6.817 1.00 0.00 C ATOM 102 OE1 GLU A 25 98.618 -1.196 5.863 1.00 0.00 O ATOM 103 OE2 GLU A 25 99.484 -2.950 6.763 1.00 0.00 O ATOM 0 H GLU A 25 96.172 -3.557 8.982 1.00 0.00 H new ATOM 0 HA GLU A 25 94.805 -1.359 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 25 96.910 -0.189 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 25 96.660 -0.188 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 25 98.900 -0.891 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 25 98.073 -2.435 8.777 1.00 0.00 H new ATOM 110 N PHE A 26 95.373 -2.447 5.488 1.00 0.00 N ATOM 111 CA PHE A 26 95.558 -3.213 4.258 1.00 0.00 C ATOM 112 C PHE A 26 95.080 -2.425 3.039 1.00 0.00 C ATOM 113 O PHE A 26 94.389 -1.415 3.168 1.00 0.00 O ATOM 114 CB PHE A 26 94.796 -4.536 4.345 1.00 0.00 C ATOM 115 CG PHE A 26 95.533 -5.487 5.258 1.00 0.00 C ATOM 116 CD1 PHE A 26 95.104 -5.669 6.578 1.00 0.00 C ATOM 117 CD2 PHE A 26 96.648 -6.188 4.782 1.00 0.00 C ATOM 118 CE1 PHE A 26 95.790 -6.553 7.422 1.00 0.00 C ATOM 119 CE2 PHE A 26 97.333 -7.072 5.624 1.00 0.00 C ATOM 120 CZ PHE A 26 96.904 -7.254 6.944 1.00 0.00 C ATOM 0 H PHE A 26 94.701 -1.683 5.414 1.00 0.00 H new ATOM 0 HA PHE A 26 96.624 -3.412 4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 26 93.788 -4.362 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 26 94.694 -4.975 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 26 94.245 -5.128 6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 26 96.980 -6.046 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 26 95.460 -6.693 8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 26 98.192 -7.613 5.255 1.00 0.00 H new ATOM 0 HZ PHE A 26 97.433 -7.935 7.594 1.00 0.00 H new ATOM 130 N ARG A 27 95.450 -2.897 1.853 1.00 0.00 N ATOM 131 CA ARG A 27 95.048 -2.236 0.616 1.00 0.00 C ATOM 132 C ARG A 27 93.738 -2.822 0.096 1.00 0.00 C ATOM 133 O ARG A 27 93.424 -3.985 0.352 1.00 0.00 O ATOM 134 CB ARG A 27 96.138 -2.396 -0.446 1.00 0.00 C ATOM 135 CG ARG A 27 97.370 -1.591 -0.035 1.00 0.00 C ATOM 136 CD ARG A 27 98.513 -1.877 -1.008 1.00 0.00 C ATOM 137 NE ARG A 27 99.678 -1.068 -0.671 1.00 0.00 N ATOM 138 CZ ARG A 27 100.838 -1.241 -1.295 1.00 0.00 C ATOM 139 NH1 ARG A 27 101.867 -0.504 -0.975 1.00 0.00 N ATOM 140 NH2 ARG A 27 100.948 -2.147 -2.227 1.00 0.00 N ATOM 0 H ARG A 27 96.024 -3.730 1.722 1.00 0.00 H new ATOM 0 HA ARG A 27 94.902 -1.176 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 27 96.399 -3.448 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 27 95.772 -2.052 -1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 27 97.138 -0.526 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 27 97.668 -1.854 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 27 98.774 -2.935 -0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 27 98.194 -1.661 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 27 99.601 -0.357 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 27 101.780 0.204 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 27 102.758 -0.636 -1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 27 100.144 -2.722 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 27 101.838 -2.280 -2.706 1.00 0.00 H new ATOM 154 N ALA A 28 92.980 -2.013 -0.635 1.00 0.00 N ATOM 155 CA ALA A 28 91.710 -2.459 -1.188 1.00 0.00 C ATOM 156 C ALA A 28 91.349 -1.637 -2.421 1.00 0.00 C ATOM 157 O ALA A 28 91.762 -0.486 -2.555 1.00 0.00 O ATOM 158 CB ALA A 28 90.605 -2.326 -0.138 1.00 0.00 C ATOM 0 H ALA A 28 93.223 -1.048 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 28 91.807 -3.505 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 28 89.658 -2.662 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 28 90.852 -2.938 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 28 90.516 -1.283 0.167 1.00 0.00 H new ATOM 164 N GLY A 29 90.580 -2.242 -3.316 1.00 0.00 N ATOM 165 CA GLY A 29 90.162 -1.566 -4.542 1.00 0.00 C ATOM 166 C GLY A 29 88.664 -1.276 -4.517 1.00 0.00 C ATOM 167 O GLY A 29 87.869 -2.112 -4.087 1.00 0.00 O ATOM 0 H GLY A 29 90.233 -3.196 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.716 -0.634 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 29 90.402 -2.187 -5.405 1.00 0.00 H new ATOM 171 N LYS A 30 88.282 -0.085 -4.974 1.00 0.00 N ATOM 172 CA LYS A 30 86.871 0.291 -4.984 1.00 0.00 C ATOM 173 C LYS A 30 86.217 -0.121 -6.302 1.00 0.00 C ATOM 174 O LYS A 30 86.905 -0.416 -7.276 1.00 0.00 O ATOM 175 CB LYS A 30 86.733 1.803 -4.795 1.00 0.00 C ATOM 176 CG LYS A 30 85.397 2.117 -4.115 1.00 0.00 C ATOM 177 CD LYS A 30 85.270 3.628 -3.919 1.00 0.00 C ATOM 178 CE LYS A 30 84.100 3.923 -2.979 1.00 0.00 C ATOM 179 NZ LYS A 30 82.837 3.407 -3.576 1.00 0.00 N ATOM 0 H LYS A 30 88.918 0.625 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 30 86.370 -0.225 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.558 2.181 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 30 86.788 2.307 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 30 84.571 1.747 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.337 1.608 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 30 86.194 4.031 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.111 4.118 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 30 84.273 3.456 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 30 84.021 4.996 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 82.023 3.821 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 82.796 3.668 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 82.808 2.371 -3.486 1.00 0.00 H new ATOM 193 N MET A 31 84.886 -0.145 -6.320 1.00 0.00 N ATOM 194 CA MET A 31 84.157 -0.528 -7.528 1.00 0.00 C ATOM 195 C MET A 31 83.551 0.710 -8.193 1.00 0.00 C ATOM 196 O MET A 31 83.086 1.622 -7.511 1.00 0.00 O ATOM 197 CB MET A 31 83.045 -1.513 -7.166 1.00 0.00 C ATOM 198 CG MET A 31 83.651 -2.741 -6.481 1.00 0.00 C ATOM 199 SD MET A 31 84.663 -3.673 -7.662 1.00 0.00 S ATOM 200 CE MET A 31 83.325 -4.454 -8.607 1.00 0.00 C ATOM 0 H MET A 31 84.296 0.093 -5.523 1.00 0.00 H new ATOM 0 HA MET A 31 84.849 -1.001 -8.225 1.00 0.00 H new ATOM 0 HB2 MET A 31 82.322 -1.035 -6.505 1.00 0.00 H new ATOM 0 HB3 MET A 31 82.505 -1.814 -8.064 1.00 0.00 H new ATOM 0 HG2 MET A 31 84.261 -2.431 -5.633 1.00 0.00 H new ATOM 0 HG3 MET A 31 82.858 -3.377 -6.088 1.00 0.00 H new ATOM 0 HE1 MET A 31 83.733 -5.258 -9.219 1.00 0.00 H new ATOM 0 HE2 MET A 31 82.584 -4.862 -7.919 1.00 0.00 H new ATOM 0 HE3 MET A 31 82.853 -3.712 -9.251 1.00 0.00 H new ATOM 210 N SER A 32 83.561 0.735 -9.524 1.00 0.00 N ATOM 211 CA SER A 32 83.013 1.862 -10.259 1.00 0.00 C ATOM 212 C SER A 32 81.491 1.790 -10.266 1.00 0.00 C ATOM 213 O SER A 32 80.918 0.752 -10.585 1.00 0.00 O ATOM 214 CB SER A 32 83.527 1.834 -11.696 1.00 0.00 C ATOM 215 OG SER A 32 84.931 2.050 -11.694 1.00 0.00 O ATOM 0 H SER A 32 83.941 -0.010 -10.108 1.00 0.00 H new ATOM 0 HA SER A 32 83.326 2.787 -9.775 1.00 0.00 H new ATOM 0 HB2 SER A 32 83.295 0.875 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.030 2.602 -12.288 1.00 0.00 H new ATOM 0 HG SER A 32 85.266 2.031 -12.615 1.00 0.00 H new ATOM 221 N LEU A 33 80.850 2.896 -9.909 1.00 0.00 N ATOM 222 CA LEU A 33 79.393 2.957 -9.867 1.00 0.00 C ATOM 223 C LEU A 33 78.868 3.940 -10.901 1.00 0.00 C ATOM 224 O LEU A 33 79.041 5.152 -10.768 1.00 0.00 O ATOM 225 CB LEU A 33 78.929 3.390 -8.471 1.00 0.00 C ATOM 226 CG LEU A 33 78.149 2.258 -7.795 1.00 0.00 C ATOM 227 CD1 LEU A 33 76.891 1.935 -8.611 1.00 0.00 C ATOM 228 CD2 LEU A 33 79.039 1.017 -7.698 1.00 0.00 C ATOM 0 H LEU A 33 81.316 3.764 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 33 79.001 1.965 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 33 79.791 3.661 -7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 78.301 4.278 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 33 77.851 2.569 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 33 76.340 1.129 -8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 33 76.259 2.821 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 33 77.179 1.625 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 33 78.486 0.210 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 33 79.339 0.706 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 33 79.926 1.251 -7.109 1.00 0.00 H new ATOM 240 N LYS A 34 78.231 3.407 -11.936 1.00 0.00 N ATOM 241 CA LYS A 34 77.688 4.242 -12.994 1.00 0.00 C ATOM 242 C LYS A 34 76.366 3.672 -13.504 1.00 0.00 C ATOM 243 O LYS A 34 76.297 2.505 -13.886 1.00 0.00 O ATOM 244 CB LYS A 34 78.693 4.320 -14.144 1.00 0.00 C ATOM 245 CG LYS A 34 79.891 3.403 -13.854 1.00 0.00 C ATOM 246 CD LYS A 34 80.873 3.436 -15.028 1.00 0.00 C ATOM 247 CE LYS A 34 81.611 2.096 -15.111 1.00 0.00 C ATOM 248 NZ LYS A 34 80.724 1.083 -15.750 1.00 0.00 N ATOM 0 H LYS A 34 78.079 2.406 -12.063 1.00 0.00 H new ATOM 0 HA LYS A 34 77.504 5.240 -12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 34 78.215 4.024 -15.077 1.00 0.00 H new ATOM 0 HB3 LYS A 34 79.033 5.348 -14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 34 80.392 3.724 -12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 34 79.546 2.383 -13.686 1.00 0.00 H new ATOM 0 HD2 LYS A 34 80.338 3.628 -15.958 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.587 4.249 -14.897 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.529 2.208 -15.688 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.901 1.765 -14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.300 0.416 -16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.203 0.564 -15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.049 1.561 -16.380 1.00 0.00 H new ATOM 262 N GLY A 35 75.320 4.501 -13.515 1.00 0.00 N ATOM 263 CA GLY A 35 74.008 4.060 -13.995 1.00 0.00 C ATOM 264 C GLY A 35 73.739 2.618 -13.590 1.00 0.00 C ATOM 265 O GLY A 35 73.665 1.727 -14.437 1.00 0.00 O ATOM 0 H GLY A 35 75.354 5.471 -13.201 1.00 0.00 H new ATOM 0 HA2 GLY A 35 73.231 4.707 -13.588 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.964 4.152 -15.080 1.00 0.00 H new ATOM 269 N THR A 36 73.625 2.390 -12.291 1.00 0.00 N ATOM 270 CA THR A 36 73.401 1.048 -11.777 1.00 0.00 C ATOM 271 C THR A 36 74.324 0.058 -12.482 1.00 0.00 C ATOM 272 O THR A 36 73.870 -0.862 -13.162 1.00 0.00 O ATOM 273 CB THR A 36 71.953 0.624 -12.007 1.00 0.00 C ATOM 274 OG1 THR A 36 71.528 1.088 -13.280 1.00 0.00 O ATOM 275 CG2 THR A 36 71.054 1.211 -10.919 1.00 0.00 C ATOM 0 H THR A 36 73.684 3.114 -11.575 1.00 0.00 H new ATOM 0 HA THR A 36 73.611 1.052 -10.707 1.00 0.00 H new ATOM 0 HB THR A 36 71.886 -0.463 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 36 72.172 0.805 -13.963 1.00 0.00 H new ATOM 0 HG21 THR A 36 70.023 0.902 -11.093 1.00 0.00 H new ATOM 0 HG22 THR A 36 71.381 0.851 -9.943 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.116 2.299 -10.944 1.00 0.00 H new ATOM 283 N THR A 37 75.620 0.251 -12.291 1.00 0.00 N ATOM 284 CA THR A 37 76.620 -0.631 -12.886 1.00 0.00 C ATOM 285 C THR A 37 77.837 -0.699 -11.974 1.00 0.00 C ATOM 286 O THR A 37 78.528 0.301 -11.774 1.00 0.00 O ATOM 287 CB THR A 37 77.038 -0.115 -14.263 1.00 0.00 C ATOM 288 OG1 THR A 37 75.886 0.316 -14.973 1.00 0.00 O ATOM 289 CG2 THR A 37 77.720 -1.238 -15.042 1.00 0.00 C ATOM 0 H THR A 37 76.007 1.009 -11.729 1.00 0.00 H new ATOM 0 HA THR A 37 76.190 -1.626 -13.003 1.00 0.00 H new ATOM 0 HB THR A 37 77.730 0.719 -14.145 1.00 0.00 H new ATOM 0 HG1 THR A 37 75.606 1.194 -14.640 1.00 0.00 H new ATOM 0 HG21 THR A 37 78.018 -0.871 -16.024 1.00 0.00 H new ATOM 0 HG22 THR A 37 78.602 -1.575 -14.497 1.00 0.00 H new ATOM 0 HG23 THR A 37 77.027 -2.071 -15.161 1.00 0.00 H new ATOM 297 N VAL A 38 78.086 -1.873 -11.418 1.00 0.00 N ATOM 298 CA VAL A 38 79.214 -2.056 -10.516 1.00 0.00 C ATOM 299 C VAL A 38 80.318 -2.842 -11.207 1.00 0.00 C ATOM 300 O VAL A 38 80.140 -4.013 -11.530 1.00 0.00 O ATOM 301 CB VAL A 38 78.764 -2.834 -9.283 1.00 0.00 C ATOM 302 CG1 VAL A 38 79.891 -2.851 -8.252 1.00 0.00 C ATOM 303 CG2 VAL A 38 77.518 -2.187 -8.683 1.00 0.00 C ATOM 0 H VAL A 38 77.526 -2.711 -11.573 1.00 0.00 H new ATOM 0 HA VAL A 38 79.589 -1.074 -10.226 1.00 0.00 H new ATOM 0 HB VAL A 38 78.524 -3.857 -9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.570 -3.407 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.771 -3.330 -8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 38 80.138 -1.829 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.204 -2.749 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 38 77.744 -1.160 -8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.716 -2.190 -9.421 1.00 0.00 H new ATOM 313 N THR A 39 81.453 -2.194 -11.430 1.00 0.00 N ATOM 314 CA THR A 39 82.572 -2.854 -12.088 1.00 0.00 C ATOM 315 C THR A 39 83.888 -2.483 -11.421 1.00 0.00 C ATOM 316 O THR A 39 83.958 -1.505 -10.687 1.00 0.00 O ATOM 317 CB THR A 39 82.613 -2.452 -13.557 1.00 0.00 C ATOM 318 OG1 THR A 39 83.919 -2.000 -13.886 1.00 0.00 O ATOM 319 CG2 THR A 39 81.594 -1.342 -13.828 1.00 0.00 C ATOM 0 H THR A 39 81.623 -1.223 -11.168 1.00 0.00 H new ATOM 0 HA THR A 39 82.433 -3.932 -12.005 1.00 0.00 H new ATOM 0 HB THR A 39 82.362 -3.316 -14.173 1.00 0.00 H new ATOM 0 HG1 THR A 39 83.948 -1.742 -14.831 1.00 0.00 H new ATOM 0 HG21 THR A 39 81.632 -1.062 -14.881 1.00 0.00 H new ATOM 0 HG22 THR A 39 80.594 -1.699 -13.583 1.00 0.00 H new ATOM 0 HG23 THR A 39 81.830 -0.473 -13.213 1.00 0.00 H new ATOM 327 N PRO A 40 84.925 -3.243 -11.654 1.00 0.00 N ATOM 328 CA PRO A 40 86.256 -2.969 -11.047 1.00 0.00 C ATOM 329 C PRO A 40 86.773 -1.577 -11.398 1.00 0.00 C ATOM 330 O PRO A 40 86.941 -1.239 -12.568 1.00 0.00 O ATOM 331 CB PRO A 40 87.167 -4.047 -11.643 1.00 0.00 C ATOM 332 CG PRO A 40 86.426 -4.608 -12.812 1.00 0.00 C ATOM 333 CD PRO A 40 84.948 -4.439 -12.502 1.00 0.00 C ATOM 0 HA PRO A 40 86.214 -2.995 -9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 40 88.122 -3.624 -11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 40 87.385 -4.823 -10.910 1.00 0.00 H new ATOM 0 HG2 PRO A 40 86.693 -4.084 -13.730 1.00 0.00 H new ATOM 0 HG3 PRO A 40 86.674 -5.659 -12.962 1.00 0.00 H new ATOM 0 HD2 PRO A 40 84.358 -4.303 -13.408 1.00 0.00 H new ATOM 0 HD3 PRO A 40 84.542 -5.308 -11.985 1.00 0.00 H new ATOM 341 N ASP A 41 87.029 -0.773 -10.369 1.00 0.00 N ATOM 342 CA ASP A 41 87.533 0.580 -10.575 1.00 0.00 C ATOM 343 C ASP A 41 89.049 0.617 -10.433 1.00 0.00 C ATOM 344 O ASP A 41 89.630 -0.107 -9.624 1.00 0.00 O ATOM 345 CB ASP A 41 86.906 1.543 -9.564 1.00 0.00 C ATOM 346 CG ASP A 41 87.045 2.984 -10.049 1.00 0.00 C ATOM 347 OD1 ASP A 41 87.599 3.181 -11.118 1.00 0.00 O ATOM 348 OD2 ASP A 41 86.593 3.869 -9.341 1.00 0.00 O ATOM 0 H ASP A 41 86.897 -1.033 -9.392 1.00 0.00 H new ATOM 0 HA ASP A 41 87.262 0.889 -11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 41 85.853 1.299 -9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 41 87.391 1.430 -8.594 1.00 0.00 H new ATOM 353 N LYS A 42 89.681 1.479 -11.217 1.00 0.00 N ATOM 354 CA LYS A 42 91.134 1.622 -11.169 1.00 0.00 C ATOM 355 C LYS A 42 91.553 2.423 -9.945 1.00 0.00 C ATOM 356 O LYS A 42 92.741 2.536 -9.640 1.00 0.00 O ATOM 357 CB LYS A 42 91.657 2.307 -12.437 1.00 0.00 C ATOM 358 CG LYS A 42 91.533 1.351 -13.625 1.00 0.00 C ATOM 359 CD LYS A 42 92.062 2.035 -14.888 1.00 0.00 C ATOM 360 CE LYS A 42 91.976 1.066 -16.067 1.00 0.00 C ATOM 361 NZ LYS A 42 92.481 1.737 -17.299 1.00 0.00 N ATOM 0 H LYS A 42 89.216 2.088 -11.891 1.00 0.00 H new ATOM 0 HA LYS A 42 91.566 0.623 -11.106 1.00 0.00 H new ATOM 0 HB2 LYS A 42 91.091 3.218 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 42 92.698 2.601 -12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 42 92.095 0.438 -13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 42 90.492 1.061 -13.765 1.00 0.00 H new ATOM 0 HD2 LYS A 42 91.481 2.933 -15.099 1.00 0.00 H new ATOM 0 HD3 LYS A 42 93.094 2.351 -14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 42 92.564 0.172 -15.860 1.00 0.00 H new ATOM 0 HE3 LYS A 42 90.945 0.743 -16.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 92.423 1.078 -18.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 91.902 2.578 -17.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 93.471 2.024 -17.157 1.00 0.00 H new ATOM 375 N ARG A 43 90.571 2.982 -9.247 1.00 0.00 N ATOM 376 CA ARG A 43 90.852 3.774 -8.060 1.00 0.00 C ATOM 377 C ARG A 43 91.269 2.877 -6.896 1.00 0.00 C ATOM 378 O ARG A 43 90.453 2.142 -6.324 1.00 0.00 O ATOM 379 CB ARG A 43 89.613 4.582 -7.670 1.00 0.00 C ATOM 380 CG ARG A 43 89.654 5.953 -8.358 1.00 0.00 C ATOM 381 CD ARG A 43 90.648 6.877 -7.645 1.00 0.00 C ATOM 382 NE ARG A 43 91.522 7.518 -8.621 1.00 0.00 N ATOM 383 CZ ARG A 43 91.165 8.642 -9.233 1.00 0.00 C ATOM 384 NH1 ARG A 43 91.969 9.196 -10.099 1.00 0.00 N ATOM 385 NH2 ARG A 43 90.009 9.190 -8.972 1.00 0.00 N ATOM 0 H ARG A 43 89.582 2.901 -9.481 1.00 0.00 H new ATOM 0 HA ARG A 43 91.674 4.453 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 43 88.710 4.045 -7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 43 89.575 4.708 -6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 43 89.942 5.835 -9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 43 88.660 6.401 -8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 43 90.109 7.634 -7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 43 91.242 6.305 -6.933 1.00 0.00 H new ATOM 0 HE ARG A 43 92.425 7.095 -8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 43 92.871 8.766 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 43 91.696 10.059 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 43 89.379 8.755 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 43 89.736 10.053 -9.442 1.00 0.00 H new ATOM 399 N LYS A 44 92.550 2.951 -6.543 1.00 0.00 N ATOM 400 CA LYS A 44 93.074 2.155 -5.440 1.00 0.00 C ATOM 401 C LYS A 44 92.797 2.859 -4.118 1.00 0.00 C ATOM 402 O LYS A 44 93.039 4.060 -3.983 1.00 0.00 O ATOM 403 CB LYS A 44 94.582 1.961 -5.616 1.00 0.00 C ATOM 404 CG LYS A 44 94.841 1.116 -6.867 1.00 0.00 C ATOM 405 CD LYS A 44 96.269 1.345 -7.372 1.00 0.00 C ATOM 406 CE LYS A 44 97.281 0.858 -6.334 1.00 0.00 C ATOM 407 NZ LYS A 44 98.659 1.009 -6.881 1.00 0.00 N ATOM 0 H LYS A 44 93.238 3.549 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 44 92.584 1.181 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 44 95.076 2.928 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.002 1.470 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 44 94.693 0.060 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 44 94.125 1.378 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 44 96.419 0.816 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 44 96.426 2.405 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 44 97.178 1.431 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 44 97.089 -0.185 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 99.350 0.679 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 98.752 0.444 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 98.838 2.010 -7.099 1.00 0.00 H new ATOM 421 N GLY A 45 92.291 2.108 -3.147 1.00 0.00 N ATOM 422 CA GLY A 45 91.979 2.670 -1.840 1.00 0.00 C ATOM 423 C GLY A 45 92.828 2.025 -0.759 1.00 0.00 C ATOM 424 O GLY A 45 93.241 0.872 -0.887 1.00 0.00 O ATOM 0 H GLY A 45 92.089 1.113 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 45 92.152 3.746 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 45 90.923 2.520 -1.617 1.00 0.00 H new ATOM 428 N LEU A 46 93.080 2.777 0.309 1.00 0.00 N ATOM 429 CA LEU A 46 93.881 2.260 1.417 1.00 0.00 C ATOM 430 C LEU A 46 93.012 2.139 2.662 1.00 0.00 C ATOM 431 O LEU A 46 92.379 3.104 3.071 1.00 0.00 O ATOM 432 CB LEU A 46 95.065 3.196 1.693 1.00 0.00 C ATOM 433 CG LEU A 46 95.916 2.636 2.840 1.00 0.00 C ATOM 434 CD1 LEU A 46 96.489 1.271 2.450 1.00 0.00 C ATOM 435 CD2 LEU A 46 97.066 3.599 3.145 1.00 0.00 C ATOM 0 H LEU A 46 92.747 3.733 0.431 1.00 0.00 H new ATOM 0 HA LEU A 46 94.267 1.276 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.674 3.302 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 46 94.701 4.191 1.950 1.00 0.00 H new ATOM 0 HG LEU A 46 95.288 2.523 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 46 97.092 0.881 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 46 95.672 0.580 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 46 97.111 1.378 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 46 97.669 3.199 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 46 97.688 3.716 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 46 96.661 4.569 3.435 1.00 0.00 H new ATOM 447 N VAL A 47 92.988 0.953 3.258 1.00 0.00 N ATOM 448 CA VAL A 47 92.185 0.727 4.455 1.00 0.00 C ATOM 449 C VAL A 47 93.038 0.825 5.713 1.00 0.00 C ATOM 450 O VAL A 47 93.967 0.042 5.904 1.00 0.00 O ATOM 451 CB VAL A 47 91.545 -0.660 4.391 1.00 0.00 C ATOM 452 CG1 VAL A 47 90.747 -0.921 5.671 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.605 -0.732 3.186 1.00 0.00 C ATOM 0 H VAL A 47 93.511 0.138 2.936 1.00 0.00 H new ATOM 0 HA VAL A 47 91.413 1.495 4.496 1.00 0.00 H new ATOM 0 HB VAL A 47 92.327 -1.412 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 47 90.293 -1.911 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 47 91.414 -0.871 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 47 89.966 -0.168 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 47 90.148 -1.721 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.826 0.023 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.170 -0.550 2.272 1.00 0.00 H new ATOM 463 N TYR A 48 92.701 1.783 6.575 1.00 0.00 N ATOM 464 CA TYR A 48 93.427 1.967 7.829 1.00 0.00 C ATOM 465 C TYR A 48 92.470 1.876 9.010 1.00 0.00 C ATOM 466 O TYR A 48 91.508 2.639 9.109 1.00 0.00 O ATOM 467 CB TYR A 48 94.125 3.329 7.837 1.00 0.00 C ATOM 468 CG TYR A 48 95.615 3.136 7.675 1.00 0.00 C ATOM 469 CD1 TYR A 48 96.104 2.379 6.608 1.00 0.00 C ATOM 470 CD2 TYR A 48 96.505 3.714 8.590 1.00 0.00 C ATOM 471 CE1 TYR A 48 97.484 2.203 6.448 1.00 0.00 C ATOM 472 CE2 TYR A 48 97.885 3.535 8.431 1.00 0.00 C ATOM 473 CZ TYR A 48 98.373 2.777 7.360 1.00 0.00 C ATOM 474 OH TYR A 48 99.733 2.597 7.202 1.00 0.00 O ATOM 0 H TYR A 48 91.934 2.440 6.429 1.00 0.00 H new ATOM 0 HA TYR A 48 94.176 1.180 7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 48 93.739 3.952 7.030 1.00 0.00 H new ATOM 0 HB3 TYR A 48 93.915 3.851 8.771 1.00 0.00 H new ATOM 0 HD1 TYR A 48 95.418 1.929 5.906 1.00 0.00 H new ATOM 0 HD2 TYR A 48 96.127 4.297 9.417 1.00 0.00 H new ATOM 0 HE1 TYR A 48 97.861 1.623 5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 48 98.572 3.982 9.134 1.00 0.00 H new ATOM 0 HH TYR A 48 100.210 3.062 7.920 1.00 0.00 H new ATOM 484 N ILE A 49 92.746 0.939 9.908 1.00 0.00 N ATOM 485 CA ILE A 49 91.918 0.745 11.091 1.00 0.00 C ATOM 486 C ILE A 49 92.764 0.586 12.346 1.00 0.00 C ATOM 487 O ILE A 49 93.753 -0.147 12.354 1.00 0.00 O ATOM 488 CB ILE A 49 91.022 -0.482 10.921 1.00 0.00 C ATOM 489 CG1 ILE A 49 89.879 -0.143 9.958 1.00 0.00 C ATOM 490 CG2 ILE A 49 90.465 -0.908 12.282 1.00 0.00 C ATOM 491 CD1 ILE A 49 89.127 -1.419 9.586 1.00 0.00 C ATOM 0 H ILE A 49 93.538 0.300 9.839 1.00 0.00 H new ATOM 0 HA ILE A 49 91.299 1.635 11.204 1.00 0.00 H new ATOM 0 HB ILE A 49 91.602 -1.308 10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 49 89.198 0.570 10.423 1.00 0.00 H new ATOM 0 HG13 ILE A 49 90.275 0.333 9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 49 89.827 -1.783 12.156 1.00 0.00 H new ATOM 0 HG22 ILE A 49 91.289 -1.153 12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 49 89.882 -0.092 12.708 1.00 0.00 H new ATOM 0 HD11 ILE A 49 88.315 -1.176 8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 49 89.811 -2.117 9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 49 88.718 -1.876 10.487 1.00 0.00 H new ATOM 503 N GLN A 50 92.356 1.259 13.415 1.00 0.00 N ATOM 504 CA GLN A 50 93.082 1.155 14.674 1.00 0.00 C ATOM 505 C GLN A 50 92.119 1.215 15.857 1.00 0.00 C ATOM 506 O GLN A 50 91.175 2.004 15.860 1.00 0.00 O ATOM 507 CB GLN A 50 94.102 2.292 14.787 1.00 0.00 C ATOM 508 CG GLN A 50 93.362 3.618 14.961 1.00 0.00 C ATOM 509 CD GLN A 50 93.107 3.876 16.442 1.00 0.00 C ATOM 510 OE1 GLN A 50 94.046 3.898 17.239 1.00 0.00 O ATOM 511 NE2 GLN A 50 91.887 4.055 16.863 1.00 0.00 N ATOM 0 H GLN A 50 91.541 1.872 13.437 1.00 0.00 H new ATOM 0 HA GLN A 50 93.602 0.197 14.691 1.00 0.00 H new ATOM 0 HB2 GLN A 50 94.765 2.118 15.634 1.00 0.00 H new ATOM 0 HB3 GLN A 50 94.727 2.325 13.895 1.00 0.00 H new ATOM 0 HG2 GLN A 50 93.950 4.432 14.537 1.00 0.00 H new ATOM 0 HG3 GLN A 50 92.417 3.591 14.419 1.00 0.00 H new ATOM 0 HE21 GLN A 50 91.111 4.036 16.201 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.708 4.214 17.854 1.00 0.00 H new ATOM 520 N GLN A 51 92.364 0.374 16.860 1.00 0.00 N ATOM 521 CA GLN A 51 91.518 0.341 18.046 1.00 0.00 C ATOM 522 C GLN A 51 92.242 0.946 19.240 1.00 0.00 C ATOM 523 O GLN A 51 93.370 0.565 19.556 1.00 0.00 O ATOM 524 CB GLN A 51 91.129 -1.100 18.371 1.00 0.00 C ATOM 525 CG GLN A 51 90.245 -1.128 19.623 1.00 0.00 C ATOM 526 CD GLN A 51 89.663 -2.525 19.815 1.00 0.00 C ATOM 527 OE1 GLN A 51 88.856 -2.977 19.003 1.00 0.00 O ATOM 528 NE2 GLN A 51 90.031 -3.243 20.840 1.00 0.00 N ATOM 0 H GLN A 51 93.138 -0.290 16.873 1.00 0.00 H new ATOM 0 HA GLN A 51 90.621 0.926 17.841 1.00 0.00 H new ATOM 0 HB2 GLN A 51 90.597 -1.542 17.529 1.00 0.00 H new ATOM 0 HB3 GLN A 51 92.024 -1.701 18.533 1.00 0.00 H new ATOM 0 HG2 GLN A 51 90.830 -0.844 20.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 89.440 -0.399 19.527 1.00 0.00 H new ATOM 0 HE21 GLN A 51 90.700 -2.867 21.512 1.00 0.00 H new ATOM 0 HE22 GLN A 51 89.650 -4.180 20.969 1.00 0.00 H new ATOM 537 N THR A 52 91.577 1.885 19.902 1.00 0.00 N ATOM 538 CA THR A 52 92.153 2.541 21.070 1.00 0.00 C ATOM 539 C THR A 52 91.472 2.056 22.344 1.00 0.00 C ATOM 540 O THR A 52 90.403 1.448 22.302 1.00 0.00 O ATOM 541 CB THR A 52 92.004 4.059 20.948 1.00 0.00 C ATOM 542 OG1 THR A 52 92.131 4.652 22.232 1.00 0.00 O ATOM 543 CG2 THR A 52 90.634 4.395 20.356 1.00 0.00 C ATOM 0 H THR A 52 90.643 2.208 19.652 1.00 0.00 H new ATOM 0 HA THR A 52 93.212 2.289 21.120 1.00 0.00 H new ATOM 0 HB THR A 52 92.783 4.449 20.292 1.00 0.00 H new ATOM 0 HG1 THR A 52 92.037 5.624 22.154 1.00 0.00 H new ATOM 0 HG21 THR A 52 90.530 5.477 20.270 1.00 0.00 H new ATOM 0 HG22 THR A 52 90.543 3.942 19.369 1.00 0.00 H new ATOM 0 HG23 THR A 52 89.851 4.006 21.007 1.00 0.00 H new ATOM 551 N ASP A 53 92.102 2.326 23.479 1.00 0.00 N ATOM 552 CA ASP A 53 91.550 1.907 24.761 1.00 0.00 C ATOM 553 C ASP A 53 90.323 2.737 25.103 1.00 0.00 C ATOM 554 O ASP A 53 89.675 2.515 26.125 1.00 0.00 O ATOM 555 CB ASP A 53 92.601 2.061 25.862 1.00 0.00 C ATOM 556 CG ASP A 53 93.052 3.515 25.951 1.00 0.00 C ATOM 557 OD1 ASP A 53 92.444 4.259 26.701 1.00 0.00 O ATOM 558 OD2 ASP A 53 94.003 3.862 25.268 1.00 0.00 O ATOM 0 H ASP A 53 92.988 2.829 23.539 1.00 0.00 H new ATOM 0 HA ASP A 53 91.260 0.859 24.688 1.00 0.00 H new ATOM 0 HB2 ASP A 53 92.188 1.740 26.818 1.00 0.00 H new ATOM 0 HB3 ASP A 53 93.456 1.418 25.653 1.00 0.00 H new ATOM 563 N ASP A 54 90.007 3.691 24.238 1.00 0.00 N ATOM 564 CA ASP A 54 88.851 4.546 24.452 1.00 0.00 C ATOM 565 C ASP A 54 87.555 3.759 24.248 1.00 0.00 C ATOM 566 O ASP A 54 86.477 4.240 24.597 1.00 0.00 O ATOM 567 CB ASP A 54 88.897 5.748 23.504 1.00 0.00 C ATOM 568 CG ASP A 54 87.860 6.785 23.926 1.00 0.00 C ATOM 569 OD1 ASP A 54 87.111 6.503 24.845 1.00 0.00 O ATOM 570 OD2 ASP A 54 87.831 7.845 23.321 1.00 0.00 O ATOM 0 H ASP A 54 90.532 3.891 23.387 1.00 0.00 H new ATOM 0 HA ASP A 54 88.876 4.909 25.479 1.00 0.00 H new ATOM 0 HB2 ASP A 54 89.892 6.192 23.514 1.00 0.00 H new ATOM 0 HB3 ASP A 54 88.703 5.423 22.482 1.00 0.00 H new ATOM 575 N SER A 55 87.667 2.550 23.677 1.00 0.00 N ATOM 576 CA SER A 55 86.496 1.705 23.430 1.00 0.00 C ATOM 577 C SER A 55 85.863 2.068 22.095 1.00 0.00 C ATOM 578 O SER A 55 84.649 2.248 21.994 1.00 0.00 O ATOM 579 CB SER A 55 85.466 1.863 24.554 1.00 0.00 C ATOM 580 OG SER A 55 84.762 0.639 24.719 1.00 0.00 O ATOM 0 H SER A 55 88.553 2.140 23.380 1.00 0.00 H new ATOM 0 HA SER A 55 86.823 0.666 23.402 1.00 0.00 H new ATOM 0 HB2 SER A 55 85.964 2.138 25.484 1.00 0.00 H new ATOM 0 HB3 SER A 55 84.770 2.667 24.315 1.00 0.00 H new ATOM 0 HG SER A 55 84.103 0.735 25.438 1.00 0.00 H new ATOM 586 N LEU A 56 86.703 2.181 21.075 1.00 0.00 N ATOM 587 CA LEU A 56 86.226 2.532 19.742 1.00 0.00 C ATOM 588 C LEU A 56 87.318 2.338 18.697 1.00 0.00 C ATOM 589 O LEU A 56 88.510 2.387 19.010 1.00 0.00 O ATOM 590 CB LEU A 56 85.757 3.992 19.720 1.00 0.00 C ATOM 591 CG LEU A 56 86.870 4.909 20.244 1.00 0.00 C ATOM 592 CD1 LEU A 56 87.593 5.584 19.076 1.00 0.00 C ATOM 593 CD2 LEU A 56 86.259 5.978 21.153 1.00 0.00 C ATOM 0 H LEU A 56 87.710 2.036 21.142 1.00 0.00 H new ATOM 0 HA LEU A 56 85.393 1.872 19.501 1.00 0.00 H new ATOM 0 HB2 LEU A 56 85.485 4.280 18.704 1.00 0.00 H new ATOM 0 HB3 LEU A 56 84.863 4.105 20.333 1.00 0.00 H new ATOM 0 HG LEU A 56 87.588 4.312 20.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 88.380 6.232 19.461 1.00 0.00 H new ATOM 0 HD12 LEU A 56 88.032 4.823 18.431 1.00 0.00 H new ATOM 0 HD13 LEU A 56 86.882 6.179 18.503 1.00 0.00 H new ATOM 0 HD21 LEU A 56 87.047 6.631 21.527 1.00 0.00 H new ATOM 0 HD22 LEU A 56 85.537 6.567 20.587 1.00 0.00 H new ATOM 0 HD23 LEU A 56 85.757 5.498 21.993 1.00 0.00 H new ATOM 605 N ILE A 57 86.896 2.131 17.453 1.00 0.00 N ATOM 606 CA ILE A 57 87.832 1.944 16.349 1.00 0.00 C ATOM 607 C ILE A 57 87.716 3.075 15.343 1.00 0.00 C ATOM 608 O ILE A 57 86.622 3.510 14.983 1.00 0.00 O ATOM 609 CB ILE A 57 87.594 0.592 15.660 1.00 0.00 C ATOM 610 CG1 ILE A 57 88.452 -0.467 16.347 1.00 0.00 C ATOM 611 CG2 ILE A 57 87.992 0.679 14.185 1.00 0.00 C ATOM 612 CD1 ILE A 57 87.719 -1.792 16.348 1.00 0.00 C ATOM 0 H ILE A 57 85.913 2.089 17.184 1.00 0.00 H new ATOM 0 HA ILE A 57 88.842 1.952 16.759 1.00 0.00 H new ATOM 0 HB ILE A 57 86.538 0.329 15.730 1.00 0.00 H new ATOM 0 HG12 ILE A 57 89.406 -0.568 15.830 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.674 -0.162 17.370 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.820 -0.284 13.704 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.392 1.443 13.691 1.00 0.00 H new ATOM 0 HG23 ILE A 57 89.048 0.940 14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 57 88.333 -2.547 16.839 1.00 0.00 H new ATOM 0 HD12 ILE A 57 86.776 -1.686 16.885 1.00 0.00 H new ATOM 0 HD13 ILE A 57 87.519 -2.098 15.321 1.00 0.00 H new ATOM 624 N HIS A 58 88.871 3.540 14.890 1.00 0.00 N ATOM 625 CA HIS A 58 88.916 4.620 13.911 1.00 0.00 C ATOM 626 C HIS A 58 89.082 4.041 12.513 1.00 0.00 C ATOM 627 O HIS A 58 90.042 3.311 12.244 1.00 0.00 O ATOM 628 CB HIS A 58 90.075 5.579 14.208 1.00 0.00 C ATOM 629 CG HIS A 58 89.723 6.959 13.715 1.00 0.00 C ATOM 630 ND1 HIS A 58 90.335 8.101 14.213 1.00 0.00 N ATOM 631 CD2 HIS A 58 88.822 7.397 12.775 1.00 0.00 C ATOM 632 CE1 HIS A 58 89.798 9.159 13.576 1.00 0.00 C ATOM 633 NE2 HIS A 58 88.873 8.786 12.689 1.00 0.00 N ATOM 0 H HIS A 58 89.784 3.191 15.181 1.00 0.00 H new ATOM 0 HA HIS A 58 87.980 5.176 13.971 1.00 0.00 H new ATOM 0 HB2 HIS A 58 90.275 5.604 15.279 1.00 0.00 H new ATOM 0 HB3 HIS A 58 90.985 5.228 13.721 1.00 0.00 H new ATOM 0 HD2 HIS A 58 88.173 6.761 12.192 1.00 0.00 H new ATOM 0 HE1 HIS A 58 90.081 10.185 13.760 1.00 0.00 H new ATOM 0 HE2 HIS A 58 88.322 9.389 12.079 1.00 0.00 H new ATOM 641 N PHE A 59 88.141 4.377 11.629 1.00 0.00 N ATOM 642 CA PHE A 59 88.184 3.895 10.250 1.00 0.00 C ATOM 643 C PHE A 59 88.607 5.010 9.302 1.00 0.00 C ATOM 644 O PHE A 59 87.926 6.030 9.183 1.00 0.00 O ATOM 645 CB PHE A 59 86.807 3.366 9.835 1.00 0.00 C ATOM 646 CG PHE A 59 86.779 3.131 8.343 1.00 0.00 C ATOM 647 CD1 PHE A 59 87.415 2.009 7.799 1.00 0.00 C ATOM 648 CD2 PHE A 59 86.115 4.035 7.506 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.386 1.792 6.417 1.00 0.00 C ATOM 650 CE2 PHE A 59 86.088 3.818 6.123 1.00 0.00 C ATOM 651 CZ PHE A 59 86.722 2.697 5.578 1.00 0.00 C ATOM 0 H PHE A 59 87.345 4.978 11.843 1.00 0.00 H new ATOM 0 HA PHE A 59 88.916 3.089 10.193 1.00 0.00 H new ATOM 0 HB2 PHE A 59 86.589 2.438 10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 59 86.033 4.081 10.115 1.00 0.00 H new ATOM 0 HD1 PHE A 59 87.927 1.312 8.445 1.00 0.00 H new ATOM 0 HD2 PHE A 59 85.624 4.900 7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 59 87.876 0.926 5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 59 85.577 4.517 5.477 1.00 0.00 H new ATOM 0 HZ PHE A 59 86.700 2.529 4.511 1.00 0.00 H new ATOM 661 N CYS A 60 89.737 4.805 8.632 1.00 0.00 N ATOM 662 CA CYS A 60 90.253 5.796 7.697 1.00 0.00 C ATOM 663 C CYS A 60 90.476 5.170 6.320 1.00 0.00 C ATOM 664 O CYS A 60 91.087 4.107 6.207 1.00 0.00 O ATOM 665 CB CYS A 60 91.578 6.352 8.222 1.00 0.00 C ATOM 666 SG CYS A 60 91.348 6.959 9.912 1.00 0.00 S ATOM 0 H CYS A 60 90.310 3.965 8.719 1.00 0.00 H new ATOM 0 HA CYS A 60 89.524 6.601 7.604 1.00 0.00 H new ATOM 0 HB2 CYS A 60 92.343 5.576 8.204 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.927 7.159 7.578 1.00 0.00 H new ATOM 0 HG CYS A 60 90.919 8.186 9.878 1.00 0.00 H new ATOM 672 N TRP A 61 89.991 5.846 5.280 1.00 0.00 N ATOM 673 CA TRP A 61 90.161 5.356 3.915 1.00 0.00 C ATOM 674 C TRP A 61 90.826 6.423 3.062 1.00 0.00 C ATOM 675 O TRP A 61 90.231 7.462 2.764 1.00 0.00 O ATOM 676 CB TRP A 61 88.807 4.986 3.315 1.00 0.00 C ATOM 677 CG TRP A 61 89.016 4.409 1.956 1.00 0.00 C ATOM 678 CD1 TRP A 61 89.618 3.227 1.701 1.00 0.00 C ATOM 679 CD2 TRP A 61 88.628 4.960 0.666 1.00 0.00 C ATOM 680 NE1 TRP A 61 89.635 3.018 0.336 1.00 0.00 N ATOM 681 CE2 TRP A 61 89.030 4.058 -0.347 1.00 0.00 C ATOM 682 CE3 TRP A 61 87.967 6.141 0.279 1.00 0.00 C ATOM 683 CZ2 TRP A 61 88.796 4.325 -1.697 1.00 0.00 C ATOM 684 CZ3 TRP A 61 87.728 6.410 -1.078 1.00 0.00 C ATOM 685 CH2 TRP A 61 88.137 5.502 -2.063 1.00 0.00 C ATOM 0 H TRP A 61 89.482 6.727 5.356 1.00 0.00 H new ATOM 0 HA TRP A 61 90.793 4.468 3.937 1.00 0.00 H new ATOM 0 HB2 TRP A 61 88.297 4.266 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 61 88.169 5.868 3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 61 90.021 2.555 2.444 1.00 0.00 H new ATOM 0 HE1 TRP A 61 90.043 2.198 -0.113 1.00 0.00 H new ATOM 0 HE3 TRP A 61 87.642 6.845 1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 89.122 3.627 -2.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 87.226 7.322 -1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 61 87.943 5.711 -3.105 1.00 0.00 H new ATOM 696 N LYS A 62 92.070 6.158 2.683 1.00 0.00 N ATOM 697 CA LYS A 62 92.835 7.097 1.874 1.00 0.00 C ATOM 698 C LYS A 62 93.097 6.535 0.485 1.00 0.00 C ATOM 699 O LYS A 62 93.419 5.359 0.325 1.00 0.00 O ATOM 700 CB LYS A 62 94.166 7.410 2.558 1.00 0.00 C ATOM 701 CG LYS A 62 94.879 8.529 1.796 1.00 0.00 C ATOM 702 CD LYS A 62 96.065 9.060 2.609 1.00 0.00 C ATOM 703 CE LYS A 62 97.154 7.990 2.727 1.00 0.00 C ATOM 704 NZ LYS A 62 98.380 8.597 3.322 1.00 0.00 N ATOM 0 H LYS A 62 92.570 5.302 2.923 1.00 0.00 H new ATOM 0 HA LYS A 62 92.250 8.011 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 62 93.994 7.711 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.792 6.518 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 62 95.228 8.156 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 62 94.180 9.339 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 62 96.472 9.951 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 62 95.729 9.357 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.804 7.166 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 62 97.380 7.575 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 99.122 7.872 3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 98.716 9.369 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.158 8.973 4.266 1.00 0.00 H new ATOM 718 N ASP A 63 92.954 7.392 -0.516 1.00 0.00 N ATOM 719 CA ASP A 63 93.178 6.981 -1.893 1.00 0.00 C ATOM 720 C ASP A 63 94.661 7.038 -2.229 1.00 0.00 C ATOM 721 O ASP A 63 95.297 8.068 -2.070 1.00 0.00 O ATOM 722 CB ASP A 63 92.398 7.886 -2.850 1.00 0.00 C ATOM 723 CG ASP A 63 90.906 7.596 -2.746 1.00 0.00 C ATOM 724 OD1 ASP A 63 90.557 6.593 -2.145 1.00 0.00 O ATOM 725 OD2 ASP A 63 90.133 8.379 -3.274 1.00 0.00 O ATOM 0 H ASP A 63 92.686 8.369 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 63 92.828 5.955 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 63 92.590 8.932 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 63 92.737 7.725 -3.873 1.00 0.00 H new ATOM 730 N ARG A 64 95.198 5.920 -2.690 1.00 0.00 N ATOM 731 CA ARG A 64 96.609 5.845 -3.052 1.00 0.00 C ATOM 732 C ARG A 64 96.893 6.649 -4.316 1.00 0.00 C ATOM 733 O ARG A 64 97.957 7.253 -4.451 1.00 0.00 O ATOM 734 CB ARG A 64 97.032 4.390 -3.267 1.00 0.00 C ATOM 735 CG ARG A 64 96.964 3.634 -1.938 1.00 0.00 C ATOM 736 CD ARG A 64 97.618 2.262 -2.103 1.00 0.00 C ATOM 737 NE ARG A 64 99.049 2.419 -2.344 1.00 0.00 N ATOM 738 CZ ARG A 64 99.783 1.413 -2.804 1.00 0.00 C ATOM 739 NH1 ARG A 64 101.062 1.578 -3.009 1.00 0.00 N ATOM 740 NH2 ARG A 64 99.228 0.260 -3.051 1.00 0.00 N ATOM 0 H ARG A 64 94.681 5.051 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 64 97.185 6.269 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 64 96.380 3.916 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 64 98.045 4.351 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 64 97.472 4.200 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 64 95.926 3.520 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 64 97.455 1.662 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 64 97.157 1.727 -2.934 1.00 0.00 H new ATOM 0 HE ARG A 64 99.493 3.318 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 64 101.497 2.480 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 64 101.626 0.805 -3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 64 98.229 0.130 -2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 64 99.793 -0.512 -3.404 1.00 0.00 H new ATOM 754 N THR A 65 95.945 6.634 -5.248 1.00 0.00 N ATOM 755 CA THR A 65 96.115 7.349 -6.507 1.00 0.00 C ATOM 756 C THR A 65 96.243 8.851 -6.264 1.00 0.00 C ATOM 757 O THR A 65 97.029 9.527 -6.930 1.00 0.00 O ATOM 758 CB THR A 65 94.913 7.086 -7.416 1.00 0.00 C ATOM 759 OG1 THR A 65 93.734 7.553 -6.778 1.00 0.00 O ATOM 760 CG2 THR A 65 94.787 5.585 -7.679 1.00 0.00 C ATOM 0 H THR A 65 95.058 6.139 -5.156 1.00 0.00 H new ATOM 0 HA THR A 65 97.027 6.991 -6.985 1.00 0.00 H new ATOM 0 HB THR A 65 95.051 7.608 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 65 93.490 8.429 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 65 93.930 5.400 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 65 95.694 5.223 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 65 94.647 5.060 -6.734 1.00 0.00 H new ATOM 768 N SER A 66 95.478 9.365 -5.307 1.00 0.00 N ATOM 769 CA SER A 66 95.527 10.788 -4.990 1.00 0.00 C ATOM 770 C SER A 66 96.310 11.024 -3.707 1.00 0.00 C ATOM 771 O SER A 66 96.842 12.112 -3.481 1.00 0.00 O ATOM 772 CB SER A 66 94.111 11.343 -4.841 1.00 0.00 C ATOM 773 OG SER A 66 93.495 10.755 -3.703 1.00 0.00 O ATOM 0 H SER A 66 94.823 8.824 -4.742 1.00 0.00 H new ATOM 0 HA SER A 66 96.030 11.305 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 66 94.142 12.427 -4.733 1.00 0.00 H new ATOM 0 HB3 SER A 66 93.528 11.129 -5.736 1.00 0.00 H new ATOM 0 HG SER A 66 92.587 11.110 -3.603 1.00 0.00 H new ATOM 779 N GLY A 67 96.379 10.000 -2.869 1.00 0.00 N ATOM 780 CA GLY A 67 97.101 10.110 -1.611 1.00 0.00 C ATOM 781 C GLY A 67 96.368 11.046 -0.660 1.00 0.00 C ATOM 782 O GLY A 67 96.940 11.514 0.325 1.00 0.00 O ATOM 0 H GLY A 67 95.948 9.091 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 67 97.203 9.125 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 67 98.109 10.483 -1.794 1.00 0.00 H new ATOM 786 N ASN A 68 95.100 11.321 -0.970 1.00 0.00 N ATOM 787 CA ASN A 68 94.299 12.221 -0.136 1.00 0.00 C ATOM 788 C ASN A 68 93.202 11.459 0.596 1.00 0.00 C ATOM 789 O ASN A 68 92.613 10.524 0.055 1.00 0.00 O ATOM 790 CB ASN A 68 93.667 13.317 -0.994 1.00 0.00 C ATOM 791 CG ASN A 68 94.590 14.531 -1.054 1.00 0.00 C ATOM 792 OD1 ASN A 68 95.806 14.392 -0.934 1.00 0.00 O ATOM 793 ND2 ASN A 68 94.079 15.720 -1.222 1.00 0.00 N ATOM 0 H ASN A 68 94.610 10.940 -1.780 1.00 0.00 H new ATOM 0 HA ASN A 68 94.964 12.672 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 68 93.482 12.941 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 68 92.701 13.604 -0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 68 94.689 16.537 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 68 93.070 15.832 -1.321 1.00 0.00 H new ATOM 800 N VAL A 69 92.934 11.859 1.836 1.00 0.00 N ATOM 801 CA VAL A 69 91.910 11.199 2.630 1.00 0.00 C ATOM 802 C VAL A 69 90.527 11.464 2.047 1.00 0.00 C ATOM 803 O VAL A 69 90.178 12.605 1.742 1.00 0.00 O ATOM 804 CB VAL A 69 91.962 11.694 4.074 1.00 0.00 C ATOM 805 CG1 VAL A 69 93.225 11.164 4.756 1.00 0.00 C ATOM 806 CG2 VAL A 69 91.975 13.226 4.093 1.00 0.00 C ATOM 0 H VAL A 69 93.408 12.630 2.307 1.00 0.00 H new ATOM 0 HA VAL A 69 92.101 10.126 2.611 1.00 0.00 H new ATOM 0 HB VAL A 69 91.084 11.332 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 69 93.259 11.519 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 69 93.213 10.074 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 69 94.105 11.521 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 69 92.012 13.577 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 69 92.850 13.589 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 69 91.072 13.603 3.614 1.00 0.00 H new ATOM 816 N GLU A 70 89.745 10.399 1.897 1.00 0.00 N ATOM 817 CA GLU A 70 88.396 10.516 1.350 1.00 0.00 C ATOM 818 C GLU A 70 87.348 10.286 2.434 1.00 0.00 C ATOM 819 O GLU A 70 86.330 10.977 2.480 1.00 0.00 O ATOM 820 CB GLU A 70 88.197 9.500 0.222 1.00 0.00 C ATOM 821 CG GLU A 70 88.298 10.209 -1.130 1.00 0.00 C ATOM 822 CD GLU A 70 89.660 10.881 -1.268 1.00 0.00 C ATOM 823 OE1 GLU A 70 90.652 10.171 -1.273 1.00 0.00 O ATOM 824 OE2 GLU A 70 89.691 12.098 -1.365 1.00 0.00 O ATOM 0 H GLU A 70 90.020 9.449 2.145 1.00 0.00 H new ATOM 0 HA GLU A 70 88.276 11.525 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 70 88.950 8.714 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 70 87.224 9.018 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 70 88.154 9.491 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 70 87.506 10.953 -1.220 1.00 0.00 H new ATOM 831 N ASP A 71 87.599 9.309 3.303 1.00 0.00 N ATOM 832 CA ASP A 71 86.658 9.001 4.378 1.00 0.00 C ATOM 833 C ASP A 71 87.404 8.738 5.684 1.00 0.00 C ATOM 834 O ASP A 71 88.302 7.900 5.739 1.00 0.00 O ATOM 835 CB ASP A 71 85.829 7.770 4.007 1.00 0.00 C ATOM 836 CG ASP A 71 84.517 7.773 4.784 1.00 0.00 C ATOM 837 OD1 ASP A 71 84.566 7.612 5.992 1.00 0.00 O ATOM 838 OD2 ASP A 71 83.482 7.931 4.158 1.00 0.00 O ATOM 0 H ASP A 71 88.434 8.724 3.286 1.00 0.00 H new ATOM 0 HA ASP A 71 85.998 9.857 4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 71 85.627 7.766 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.391 6.863 4.229 1.00 0.00 H new ATOM 843 N ASP A 72 87.028 9.461 6.731 1.00 0.00 N ATOM 844 CA ASP A 72 87.666 9.303 8.032 1.00 0.00 C ATOM 845 C ASP A 72 86.683 9.639 9.148 1.00 0.00 C ATOM 846 O ASP A 72 86.331 10.803 9.346 1.00 0.00 O ATOM 847 CB ASP A 72 88.894 10.210 8.119 1.00 0.00 C ATOM 848 CG ASP A 72 89.421 10.241 9.548 1.00 0.00 C ATOM 849 OD1 ASP A 72 89.917 9.225 9.998 1.00 0.00 O ATOM 850 OD2 ASP A 72 89.320 11.286 10.171 1.00 0.00 O ATOM 0 H ASP A 72 86.286 10.161 6.705 1.00 0.00 H new ATOM 0 HA ASP A 72 87.980 8.266 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 72 89.671 9.850 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.635 11.218 7.797 1.00 0.00 H new ATOM 855 N LEU A 73 86.230 8.616 9.870 1.00 0.00 N ATOM 856 CA LEU A 73 85.282 8.825 10.946 1.00 0.00 C ATOM 857 C LEU A 73 85.393 7.696 11.967 1.00 0.00 C ATOM 858 O LEU A 73 85.737 6.560 11.624 1.00 0.00 O ATOM 859 CB LEU A 73 83.857 8.879 10.383 1.00 0.00 C ATOM 860 CG LEU A 73 82.961 9.695 11.324 1.00 0.00 C ATOM 861 CD1 LEU A 73 83.340 11.184 11.278 1.00 0.00 C ATOM 862 CD2 LEU A 73 81.498 9.532 10.905 1.00 0.00 C ATOM 0 H LEU A 73 86.505 7.644 9.726 1.00 0.00 H new ATOM 0 HA LEU A 73 85.508 9.771 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 73 83.864 9.329 9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 73 83.461 7.870 10.272 1.00 0.00 H new ATOM 0 HG LEU A 73 83.100 9.329 12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 73 82.693 11.745 11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 73 84.378 11.305 11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 73 83.218 11.559 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.861 10.112 11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 73 81.370 9.888 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.219 8.480 10.960 1.00 0.00 H new ATOM 874 N ILE A 74 85.097 8.014 13.218 1.00 0.00 N ATOM 875 CA ILE A 74 85.152 7.032 14.288 1.00 0.00 C ATOM 876 C ILE A 74 83.995 6.052 14.172 1.00 0.00 C ATOM 877 O ILE A 74 82.890 6.427 13.783 1.00 0.00 O ATOM 878 CB ILE A 74 85.087 7.738 15.636 1.00 0.00 C ATOM 879 CG1 ILE A 74 86.432 8.408 15.933 1.00 0.00 C ATOM 880 CG2 ILE A 74 84.754 6.731 16.744 1.00 0.00 C ATOM 881 CD1 ILE A 74 86.281 9.338 17.136 1.00 0.00 C ATOM 0 H ILE A 74 84.815 8.948 13.517 1.00 0.00 H new ATOM 0 HA ILE A 74 86.089 6.481 14.207 1.00 0.00 H new ATOM 0 HB ILE A 74 84.305 8.497 15.601 1.00 0.00 H new ATOM 0 HG12 ILE A 74 87.190 7.652 16.137 1.00 0.00 H new ATOM 0 HG13 ILE A 74 86.770 8.972 15.064 1.00 0.00 H new ATOM 0 HG21 ILE A 74 84.710 7.247 17.703 1.00 0.00 H new ATOM 0 HG22 ILE A 74 83.789 6.268 16.537 1.00 0.00 H new ATOM 0 HG23 ILE A 74 85.526 5.962 16.781 1.00 0.00 H new ATOM 0 HD11 ILE A 74 87.237 9.816 17.349 1.00 0.00 H new ATOM 0 HD12 ILE A 74 85.535 10.102 16.914 1.00 0.00 H new ATOM 0 HD13 ILE A 74 85.962 8.761 18.004 1.00 0.00 H new ATOM 893 N ILE A 75 84.262 4.798 14.512 1.00 0.00 N ATOM 894 CA ILE A 75 83.240 3.768 14.447 1.00 0.00 C ATOM 895 C ILE A 75 82.905 3.265 15.842 1.00 0.00 C ATOM 896 O ILE A 75 83.782 2.790 16.575 1.00 0.00 O ATOM 897 CB ILE A 75 83.737 2.601 13.600 1.00 0.00 C ATOM 898 CG1 ILE A 75 84.080 3.085 12.187 1.00 0.00 C ATOM 899 CG2 ILE A 75 82.648 1.537 13.528 1.00 0.00 C ATOM 900 CD1 ILE A 75 82.828 3.096 11.304 1.00 0.00 C ATOM 0 H ILE A 75 85.174 4.473 14.834 1.00 0.00 H new ATOM 0 HA ILE A 75 82.345 4.196 13.997 1.00 0.00 H new ATOM 0 HB ILE A 75 84.634 2.180 14.055 1.00 0.00 H new ATOM 0 HG12 ILE A 75 84.508 4.086 12.233 1.00 0.00 H new ATOM 0 HG13 ILE A 75 84.836 2.435 11.747 1.00 0.00 H new ATOM 0 HG21 ILE A 75 82.997 0.700 12.924 1.00 0.00 H new ATOM 0 HG22 ILE A 75 82.415 1.187 14.533 1.00 0.00 H new ATOM 0 HG23 ILE A 75 81.753 1.963 13.075 1.00 0.00 H new ATOM 0 HD11 ILE A 75 83.091 3.442 10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 75 82.417 2.088 11.243 1.00 0.00 H new ATOM 0 HD13 ILE A 75 82.084 3.765 11.736 1.00 0.00 H new ATOM 912 N PHE A 76 81.635 3.378 16.204 1.00 0.00 N ATOM 913 CA PHE A 76 81.193 2.935 17.516 1.00 0.00 C ATOM 914 C PHE A 76 80.573 1.534 17.430 1.00 0.00 C ATOM 915 O PHE A 76 79.988 1.176 16.405 1.00 0.00 O ATOM 916 CB PHE A 76 80.157 3.917 18.067 1.00 0.00 C ATOM 917 CG PHE A 76 80.760 5.295 18.091 1.00 0.00 C ATOM 918 CD1 PHE A 76 80.698 6.085 16.942 1.00 0.00 C ATOM 919 CD2 PHE A 76 81.384 5.779 19.246 1.00 0.00 C ATOM 920 CE1 PHE A 76 81.259 7.361 16.941 1.00 0.00 C ATOM 921 CE2 PHE A 76 81.946 7.062 19.247 1.00 0.00 C ATOM 922 CZ PHE A 76 81.884 7.853 18.092 1.00 0.00 C ATOM 0 H PHE A 76 80.900 3.768 15.614 1.00 0.00 H new ATOM 0 HA PHE A 76 82.056 2.898 18.181 1.00 0.00 H new ATOM 0 HB2 PHE A 76 79.261 3.908 17.446 1.00 0.00 H new ATOM 0 HB3 PHE A 76 79.853 3.621 19.071 1.00 0.00 H new ATOM 0 HD1 PHE A 76 80.215 5.707 16.053 1.00 0.00 H new ATOM 0 HD2 PHE A 76 81.432 5.166 20.134 1.00 0.00 H new ATOM 0 HE1 PHE A 76 81.211 7.971 16.051 1.00 0.00 H new ATOM 0 HE2 PHE A 76 82.426 7.441 20.137 1.00 0.00 H new ATOM 0 HZ PHE A 76 82.318 8.842 18.090 1.00 0.00 H new ATOM 932 N PRO A 77 80.660 0.744 18.477 1.00 0.00 N ATOM 933 CA PRO A 77 80.057 -0.625 18.491 1.00 0.00 C ATOM 934 C PRO A 77 78.608 -0.616 18.004 1.00 0.00 C ATOM 935 O PRO A 77 77.870 0.335 18.248 1.00 0.00 O ATOM 936 CB PRO A 77 80.092 -1.013 19.967 1.00 0.00 C ATOM 937 CG PRO A 77 81.224 -0.249 20.558 1.00 0.00 C ATOM 938 CD PRO A 77 81.355 1.041 19.745 1.00 0.00 C ATOM 0 HA PRO A 77 80.593 -1.310 17.834 1.00 0.00 H new ATOM 0 HB2 PRO A 77 79.152 -0.764 20.460 1.00 0.00 H new ATOM 0 HB3 PRO A 77 80.240 -2.086 20.086 1.00 0.00 H new ATOM 0 HG2 PRO A 77 81.035 -0.027 21.608 1.00 0.00 H new ATOM 0 HG3 PRO A 77 82.146 -0.829 20.516 1.00 0.00 H new ATOM 0 HD2 PRO A 77 80.898 1.885 20.261 1.00 0.00 H new ATOM 0 HD3 PRO A 77 82.400 1.300 19.575 1.00 0.00 H new ATOM 946 N ASP A 78 78.215 -1.690 17.319 1.00 0.00 N ATOM 947 CA ASP A 78 76.855 -1.824 16.795 1.00 0.00 C ATOM 948 C ASP A 78 76.678 -0.990 15.529 1.00 0.00 C ATOM 949 O ASP A 78 75.735 -1.202 14.764 1.00 0.00 O ATOM 950 CB ASP A 78 75.828 -1.382 17.844 1.00 0.00 C ATOM 951 CG ASP A 78 76.302 -1.776 19.238 1.00 0.00 C ATOM 952 OD1 ASP A 78 76.407 -2.963 19.495 1.00 0.00 O ATOM 953 OD2 ASP A 78 76.552 -0.881 20.030 1.00 0.00 O ATOM 0 H ASP A 78 78.822 -2.483 17.113 1.00 0.00 H new ATOM 0 HA ASP A 78 76.692 -2.874 16.554 1.00 0.00 H new ATOM 0 HB2 ASP A 78 75.684 -0.303 17.792 1.00 0.00 H new ATOM 0 HB3 ASP A 78 74.862 -1.843 17.636 1.00 0.00 H new ATOM 958 N ASP A 79 77.589 -0.049 15.307 1.00 0.00 N ATOM 959 CA ASP A 79 77.524 0.800 14.126 1.00 0.00 C ATOM 960 C ASP A 79 78.494 0.301 13.056 1.00 0.00 C ATOM 961 O ASP A 79 79.601 0.821 12.923 1.00 0.00 O ATOM 962 CB ASP A 79 77.877 2.239 14.507 1.00 0.00 C ATOM 963 CG ASP A 79 77.203 2.607 15.823 1.00 0.00 C ATOM 964 OD1 ASP A 79 77.736 2.250 16.859 1.00 0.00 O ATOM 965 OD2 ASP A 79 76.162 3.242 15.775 1.00 0.00 O ATOM 0 H ASP A 79 78.376 0.144 15.926 1.00 0.00 H new ATOM 0 HA ASP A 79 76.511 0.766 13.725 1.00 0.00 H new ATOM 0 HB2 ASP A 79 78.958 2.345 14.600 1.00 0.00 H new ATOM 0 HB3 ASP A 79 77.556 2.922 13.720 1.00 0.00 H new ATOM 970 N CYS A 80 78.070 -0.706 12.297 1.00 0.00 N ATOM 971 CA CYS A 80 78.909 -1.267 11.246 1.00 0.00 C ATOM 972 C CYS A 80 78.277 -2.536 10.687 1.00 0.00 C ATOM 973 O CYS A 80 78.628 -3.643 11.093 1.00 0.00 O ATOM 974 CB CYS A 80 80.301 -1.591 11.794 1.00 0.00 C ATOM 975 SG CYS A 80 80.159 -2.143 13.513 1.00 0.00 S ATOM 0 H CYS A 80 77.155 -1.147 12.390 1.00 0.00 H new ATOM 0 HA CYS A 80 79.000 -0.529 10.449 1.00 0.00 H new ATOM 0 HB2 CYS A 80 80.770 -2.367 11.189 1.00 0.00 H new ATOM 0 HB3 CYS A 80 80.941 -0.711 11.735 1.00 0.00 H new ATOM 0 HG CYS A 80 80.304 -3.434 13.568 1.00 0.00 H new ATOM 981 N GLU A 81 77.341 -2.371 9.759 1.00 0.00 N ATOM 982 CA GLU A 81 76.671 -3.520 9.161 1.00 0.00 C ATOM 983 C GLU A 81 77.290 -3.839 7.805 1.00 0.00 C ATOM 984 O GLU A 81 77.439 -2.956 6.961 1.00 0.00 O ATOM 985 CB GLU A 81 75.176 -3.221 8.992 1.00 0.00 C ATOM 986 CG GLU A 81 74.439 -4.480 8.525 1.00 0.00 C ATOM 987 CD GLU A 81 74.439 -5.521 9.639 1.00 0.00 C ATOM 988 OE1 GLU A 81 74.703 -5.148 10.770 1.00 0.00 O ATOM 989 OE2 GLU A 81 74.174 -6.676 9.346 1.00 0.00 O ATOM 0 H GLU A 81 77.032 -1.465 9.408 1.00 0.00 H new ATOM 0 HA GLU A 81 76.793 -4.381 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 81 74.757 -2.874 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 81 75.037 -2.419 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 81 73.415 -4.231 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 81 74.921 -4.886 7.635 1.00 0.00 H new ATOM 996 N PHE A 82 77.649 -5.101 7.601 1.00 0.00 N ATOM 997 CA PHE A 82 78.253 -5.518 6.339 1.00 0.00 C ATOM 998 C PHE A 82 77.289 -6.398 5.555 1.00 0.00 C ATOM 999 O PHE A 82 76.507 -7.150 6.137 1.00 0.00 O ATOM 1000 CB PHE A 82 79.543 -6.297 6.607 1.00 0.00 C ATOM 1001 CG PHE A 82 79.207 -7.597 7.300 1.00 0.00 C ATOM 1002 CD1 PHE A 82 78.942 -8.745 6.542 1.00 0.00 C ATOM 1003 CD2 PHE A 82 79.165 -7.658 8.698 1.00 0.00 C ATOM 1004 CE1 PHE A 82 78.632 -9.950 7.181 1.00 0.00 C ATOM 1005 CE2 PHE A 82 78.855 -8.864 9.337 1.00 0.00 C ATOM 1006 CZ PHE A 82 78.590 -10.010 8.579 1.00 0.00 C ATOM 0 H PHE A 82 77.534 -5.848 8.286 1.00 0.00 H new ATOM 0 HA PHE A 82 78.480 -4.626 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 82 80.063 -6.495 5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 82 80.217 -5.705 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 82 78.977 -8.700 5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 82 79.372 -6.774 9.283 1.00 0.00 H new ATOM 0 HE1 PHE A 82 78.425 -10.834 6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 82 78.820 -8.910 10.415 1.00 0.00 H new ATOM 0 HZ PHE A 82 78.353 -10.941 9.073 1.00 0.00 H new ATOM 1016 N LYS A 83 77.360 -6.301 4.231 1.00 0.00 N ATOM 1017 CA LYS A 83 76.499 -7.096 3.368 1.00 0.00 C ATOM 1018 C LYS A 83 77.301 -7.748 2.253 1.00 0.00 C ATOM 1019 O LYS A 83 78.253 -7.167 1.732 1.00 0.00 O ATOM 1020 CB LYS A 83 75.383 -6.231 2.767 1.00 0.00 C ATOM 1021 CG LYS A 83 74.452 -5.735 3.876 1.00 0.00 C ATOM 1022 CD LYS A 83 73.315 -4.916 3.259 1.00 0.00 C ATOM 1023 CE LYS A 83 72.372 -4.434 4.364 1.00 0.00 C ATOM 1024 NZ LYS A 83 71.260 -3.646 3.760 1.00 0.00 N ATOM 0 H LYS A 83 78.002 -5.682 3.736 1.00 0.00 H new ATOM 0 HA LYS A 83 76.049 -7.878 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.815 -5.382 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 83 74.817 -6.809 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 83 74.046 -6.581 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 83 75.009 -5.126 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 83 73.721 -4.063 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.767 -5.522 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.972 -5.287 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 83 72.918 -3.821 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 70.619 -3.318 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.651 -2.825 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.733 -4.244 3.092 1.00 0.00 H new ATOM 1038 N ARG A 84 76.902 -8.964 1.896 1.00 0.00 N ATOM 1039 CA ARG A 84 77.574 -9.708 0.839 1.00 0.00 C ATOM 1040 C ARG A 84 76.602 -10.017 -0.291 1.00 0.00 C ATOM 1041 O ARG A 84 75.453 -10.389 -0.049 1.00 0.00 O ATOM 1042 CB ARG A 84 78.150 -11.012 1.404 1.00 0.00 C ATOM 1043 CG ARG A 84 77.026 -11.847 2.027 1.00 0.00 C ATOM 1044 CD ARG A 84 77.626 -13.067 2.730 1.00 0.00 C ATOM 1045 NE ARG A 84 76.594 -13.775 3.482 1.00 0.00 N ATOM 1046 CZ ARG A 84 75.812 -14.678 2.900 1.00 0.00 C ATOM 1047 NH1 ARG A 84 74.899 -15.294 3.600 1.00 0.00 N ATOM 1048 NH2 ARG A 84 75.955 -14.948 1.632 1.00 0.00 N ATOM 0 H ARG A 84 76.117 -9.455 2.324 1.00 0.00 H new ATOM 0 HA ARG A 84 78.387 -9.099 0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 84 78.640 -11.578 0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 84 78.910 -10.790 2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 84 76.463 -11.244 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 84 76.325 -12.167 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 84 78.073 -13.736 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 84 78.424 -12.752 3.402 1.00 0.00 H new ATOM 0 HE ARG A 84 76.471 -13.572 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 84 74.787 -15.082 4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 84 74.297 -15.988 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 84 76.668 -14.466 1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 84 75.354 -15.642 1.187 1.00 0.00 H new ATOM 1062 N VAL A 85 77.075 -9.868 -1.525 1.00 0.00 N ATOM 1063 CA VAL A 85 76.247 -10.144 -2.693 1.00 0.00 C ATOM 1064 C VAL A 85 76.811 -11.326 -3.480 1.00 0.00 C ATOM 1065 O VAL A 85 77.634 -11.147 -4.378 1.00 0.00 O ATOM 1066 CB VAL A 85 76.191 -8.904 -3.590 1.00 0.00 C ATOM 1067 CG1 VAL A 85 75.162 -7.925 -3.027 1.00 0.00 C ATOM 1068 CG2 VAL A 85 77.560 -8.220 -3.610 1.00 0.00 C ATOM 0 H VAL A 85 78.023 -9.559 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 85 75.241 -10.396 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 85 75.914 -9.203 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 85 75.117 -7.040 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 85 74.182 -8.402 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 85 75.451 -7.634 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 85 77.517 -7.338 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 85 77.832 -7.922 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 85 78.307 -8.913 -3.997 1.00 0.00 H new ATOM 1078 N PRO A 86 76.384 -12.532 -3.169 1.00 0.00 N ATOM 1079 CA PRO A 86 76.856 -13.758 -3.873 1.00 0.00 C ATOM 1080 C PRO A 86 76.094 -14.009 -5.173 1.00 0.00 C ATOM 1081 O PRO A 86 75.135 -14.781 -5.204 1.00 0.00 O ATOM 1082 CB PRO A 86 76.595 -14.869 -2.855 1.00 0.00 C ATOM 1083 CG PRO A 86 75.446 -14.396 -2.024 1.00 0.00 C ATOM 1084 CD PRO A 86 75.419 -12.865 -2.106 1.00 0.00 C ATOM 0 HA PRO A 86 77.900 -13.686 -4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 86 76.357 -15.809 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 86 77.476 -15.050 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 86 74.509 -14.816 -2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 86 75.560 -14.723 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 86 74.421 -12.499 -2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 86 75.704 -12.412 -1.156 1.00 0.00 H new ATOM 1092 N GLN A 87 76.532 -13.355 -6.245 1.00 0.00 N ATOM 1093 CA GLN A 87 75.888 -13.522 -7.543 1.00 0.00 C ATOM 1094 C GLN A 87 76.535 -14.659 -8.317 1.00 0.00 C ATOM 1095 O GLN A 87 75.851 -15.454 -8.962 1.00 0.00 O ATOM 1096 CB GLN A 87 76.004 -12.229 -8.347 1.00 0.00 C ATOM 1097 CG GLN A 87 75.247 -11.117 -7.623 1.00 0.00 C ATOM 1098 CD GLN A 87 75.448 -9.793 -8.347 1.00 0.00 C ATOM 1099 OE1 GLN A 87 74.968 -9.615 -9.466 1.00 0.00 O ATOM 1100 NE2 GLN A 87 76.142 -8.851 -7.771 1.00 0.00 N ATOM 0 H GLN A 87 77.323 -12.711 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 87 74.837 -13.760 -7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 87 77.052 -11.954 -8.466 1.00 0.00 H new ATOM 0 HB3 GLN A 87 75.596 -12.371 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 87 74.185 -11.359 -7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 87 75.599 -11.036 -6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 87 76.538 -9.004 -6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 87 76.289 -7.962 -8.248 1.00 0.00 H new ATOM 1109 N CYS A 88 77.859 -14.740 -8.243 1.00 0.00 N ATOM 1110 CA CYS A 88 78.576 -15.798 -8.936 1.00 0.00 C ATOM 1111 C CYS A 88 79.993 -15.966 -8.370 1.00 0.00 C ATOM 1112 O CYS A 88 80.623 -14.988 -7.953 1.00 0.00 O ATOM 1113 CB CYS A 88 78.651 -15.479 -10.430 1.00 0.00 C ATOM 1114 SG CYS A 88 79.364 -13.831 -10.663 1.00 0.00 S ATOM 0 H CYS A 88 78.449 -14.095 -7.717 1.00 0.00 H new ATOM 0 HA CYS A 88 78.035 -16.732 -8.788 1.00 0.00 H new ATOM 0 HB2 CYS A 88 79.259 -16.225 -10.942 1.00 0.00 H new ATOM 0 HB3 CYS A 88 77.655 -15.522 -10.872 1.00 0.00 H new ATOM 0 HG CYS A 88 80.177 -13.568 -9.684 1.00 0.00 H new ATOM 1120 N PRO A 89 80.513 -17.175 -8.362 1.00 0.00 N ATOM 1121 CA PRO A 89 81.886 -17.460 -7.840 1.00 0.00 C ATOM 1122 C PRO A 89 82.972 -16.817 -8.696 1.00 0.00 C ATOM 1123 O PRO A 89 84.133 -16.741 -8.294 1.00 0.00 O ATOM 1124 CB PRO A 89 81.986 -18.988 -7.870 1.00 0.00 C ATOM 1125 CG PRO A 89 80.991 -19.428 -8.889 1.00 0.00 C ATOM 1126 CD PRO A 89 79.858 -18.406 -8.844 1.00 0.00 C ATOM 0 HA PRO A 89 82.036 -17.046 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 89 82.992 -19.311 -8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.763 -19.416 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 89 81.441 -19.468 -9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.622 -20.429 -8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 89 79.410 -18.262 -9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 89 79.060 -18.723 -8.173 1.00 0.00 H new ATOM 1134 N SER A 90 82.584 -16.355 -9.878 1.00 0.00 N ATOM 1135 CA SER A 90 83.529 -15.718 -10.785 1.00 0.00 C ATOM 1136 C SER A 90 84.139 -14.481 -10.134 1.00 0.00 C ATOM 1137 O SER A 90 85.335 -14.221 -10.275 1.00 0.00 O ATOM 1138 CB SER A 90 82.829 -15.318 -12.083 1.00 0.00 C ATOM 1139 OG SER A 90 83.777 -14.719 -12.958 1.00 0.00 O ATOM 0 H SER A 90 81.628 -16.409 -10.229 1.00 0.00 H new ATOM 0 HA SER A 90 84.322 -16.431 -11.010 1.00 0.00 H new ATOM 0 HB2 SER A 90 82.383 -16.193 -12.555 1.00 0.00 H new ATOM 0 HB3 SER A 90 82.018 -14.621 -11.873 1.00 0.00 H new ATOM 0 HG SER A 90 83.334 -14.462 -13.793 1.00 0.00 H new ATOM 1145 N GLY A 91 83.311 -13.718 -9.423 1.00 0.00 N ATOM 1146 CA GLY A 91 83.795 -12.510 -8.761 1.00 0.00 C ATOM 1147 C GLY A 91 83.135 -12.339 -7.400 1.00 0.00 C ATOM 1148 O GLY A 91 81.993 -12.750 -7.199 1.00 0.00 O ATOM 0 H GLY A 91 82.318 -13.911 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 91 84.877 -12.564 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 91 83.586 -11.640 -9.384 1.00 0.00 H new ATOM 1152 N ARG A 92 83.863 -11.731 -6.466 1.00 0.00 N ATOM 1153 CA ARG A 92 83.339 -11.513 -5.122 1.00 0.00 C ATOM 1154 C ARG A 92 83.543 -10.064 -4.693 1.00 0.00 C ATOM 1155 O ARG A 92 84.543 -9.436 -5.042 1.00 0.00 O ATOM 1156 CB ARG A 92 84.043 -12.442 -4.129 1.00 0.00 C ATOM 1157 CG ARG A 92 83.842 -13.900 -4.554 1.00 0.00 C ATOM 1158 CD ARG A 92 85.176 -14.484 -5.019 1.00 0.00 C ATOM 1159 NE ARG A 92 86.131 -14.497 -3.917 1.00 0.00 N ATOM 1160 CZ ARG A 92 87.243 -15.222 -3.978 1.00 0.00 C ATOM 1161 NH1 ARG A 92 88.082 -15.213 -2.978 1.00 0.00 N ATOM 1162 NH2 ARG A 92 87.495 -15.943 -5.035 1.00 0.00 N ATOM 0 H ARG A 92 84.810 -11.383 -6.614 1.00 0.00 H new ATOM 0 HA ARG A 92 82.271 -11.731 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 92 85.107 -12.208 -4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 92 83.645 -12.287 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 92 83.449 -14.482 -3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 92 83.108 -13.958 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 92 85.027 -15.497 -5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 92 85.571 -13.894 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 92 85.942 -13.939 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 92 87.884 -14.650 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 92 88.936 -15.769 -3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 92 86.838 -15.951 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 92 88.349 -16.499 -5.081 1.00 0.00 H new ATOM 1176 N VAL A 93 82.588 -9.543 -3.931 1.00 0.00 N ATOM 1177 CA VAL A 93 82.667 -8.168 -3.452 1.00 0.00 C ATOM 1178 C VAL A 93 81.958 -8.028 -2.108 1.00 0.00 C ATOM 1179 O VAL A 93 80.979 -8.724 -1.839 1.00 0.00 O ATOM 1180 CB VAL A 93 82.032 -7.221 -4.469 1.00 0.00 C ATOM 1181 CG1 VAL A 93 80.567 -7.602 -4.677 1.00 0.00 C ATOM 1182 CG2 VAL A 93 82.110 -5.787 -3.941 1.00 0.00 C ATOM 0 H VAL A 93 81.754 -10.049 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 93 83.718 -7.908 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 93 82.565 -7.295 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 93 80.115 -6.926 -5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 93 80.506 -8.625 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 93 80.033 -7.527 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 93 81.658 -5.108 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 93 81.574 -5.718 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 93 83.154 -5.512 -3.788 1.00 0.00 H new ATOM 1192 N TYR A 94 82.460 -7.123 -1.271 1.00 0.00 N ATOM 1193 CA TYR A 94 81.872 -6.890 0.045 1.00 0.00 C ATOM 1194 C TYR A 94 81.286 -5.485 0.129 1.00 0.00 C ATOM 1195 O TYR A 94 81.851 -4.534 -0.424 1.00 0.00 O ATOM 1196 CB TYR A 94 82.935 -7.066 1.130 1.00 0.00 C ATOM 1197 CG TYR A 94 83.387 -8.506 1.165 1.00 0.00 C ATOM 1198 CD1 TYR A 94 84.484 -8.917 0.399 1.00 0.00 C ATOM 1199 CD2 TYR A 94 82.707 -9.430 1.966 1.00 0.00 C ATOM 1200 CE1 TYR A 94 84.901 -10.254 0.434 1.00 0.00 C ATOM 1201 CE2 TYR A 94 83.123 -10.766 2.001 1.00 0.00 C ATOM 1202 CZ TYR A 94 84.221 -11.178 1.235 1.00 0.00 C ATOM 1203 OH TYR A 94 84.630 -12.495 1.271 1.00 0.00 O ATOM 0 H TYR A 94 83.271 -6.540 -1.480 1.00 0.00 H new ATOM 0 HA TYR A 94 81.072 -7.615 0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 94 83.784 -6.412 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 94 82.531 -6.777 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 94 85.009 -8.204 -0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 94 81.861 -9.112 2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 94 85.747 -10.571 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 94 82.597 -11.479 2.619 1.00 0.00 H new ATOM 0 HH TYR A 94 84.050 -13.001 1.878 1.00 0.00 H new ATOM 1213 N VAL A 95 80.151 -5.357 0.818 1.00 0.00 N ATOM 1214 CA VAL A 95 79.498 -4.063 0.967 1.00 0.00 C ATOM 1215 C VAL A 95 79.431 -3.660 2.434 1.00 0.00 C ATOM 1216 O VAL A 95 78.943 -4.418 3.266 1.00 0.00 O ATOM 1217 CB VAL A 95 78.086 -4.143 0.391 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.327 -2.858 0.710 1.00 0.00 C ATOM 1219 CG2 VAL A 95 78.167 -4.310 -1.126 1.00 0.00 C ATOM 0 H VAL A 95 79.670 -6.130 1.278 1.00 0.00 H new ATOM 0 HA VAL A 95 80.076 -3.312 0.429 1.00 0.00 H new ATOM 0 HB VAL A 95 77.566 -4.994 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 95 76.320 -2.918 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 95 77.269 -2.728 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 95 77.849 -2.008 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 95 77.160 -4.367 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 95 78.689 -3.457 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 95 78.709 -5.225 -1.363 1.00 0.00 H new ATOM 1229 N LEU A 96 79.922 -2.464 2.744 1.00 0.00 N ATOM 1230 CA LEU A 96 79.907 -1.979 4.118 1.00 0.00 C ATOM 1231 C LEU A 96 78.897 -0.852 4.266 1.00 0.00 C ATOM 1232 O LEU A 96 78.906 0.103 3.490 1.00 0.00 O ATOM 1233 CB LEU A 96 81.301 -1.476 4.507 1.00 0.00 C ATOM 1234 CG LEU A 96 81.952 -2.440 5.503 1.00 0.00 C ATOM 1235 CD1 LEU A 96 81.150 -2.463 6.809 1.00 0.00 C ATOM 1236 CD2 LEU A 96 81.994 -3.848 4.901 1.00 0.00 C ATOM 0 H LEU A 96 80.331 -1.819 2.069 1.00 0.00 H new ATOM 0 HA LEU A 96 79.622 -2.799 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.924 -1.385 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 96 81.227 -0.482 4.947 1.00 0.00 H new ATOM 0 HG LEU A 96 82.967 -2.104 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 96 81.619 -3.151 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.128 -1.462 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.131 -2.792 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 96 82.458 -4.533 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.979 -4.181 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 96 82.575 -3.832 3.979 1.00 0.00 H new ATOM 1248 N LYS A 97 78.030 -0.966 5.270 1.00 0.00 N ATOM 1249 CA LYS A 97 77.024 0.051 5.509 1.00 0.00 C ATOM 1250 C LYS A 97 77.273 0.723 6.851 1.00 0.00 C ATOM 1251 O LYS A 97 77.110 0.111 7.908 1.00 0.00 O ATOM 1252 CB LYS A 97 75.637 -0.589 5.486 1.00 0.00 C ATOM 1253 CG LYS A 97 74.573 0.488 5.683 1.00 0.00 C ATOM 1254 CD LYS A 97 73.188 -0.144 5.571 1.00 0.00 C ATOM 1255 CE LYS A 97 72.123 0.914 5.864 1.00 0.00 C ATOM 1256 NZ LYS A 97 72.223 2.017 4.864 1.00 0.00 N ATOM 0 H LYS A 97 78.008 -1.749 5.924 1.00 0.00 H new ATOM 0 HA LYS A 97 77.080 0.807 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 97 75.478 -1.102 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 97 75.559 -1.340 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 97 74.692 0.959 6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 97 74.689 1.272 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 97 73.043 -0.555 4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 97 73.096 -0.973 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 97 71.130 0.465 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 97 72.257 1.309 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 71.340 2.566 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 73.018 2.640 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 72.381 1.615 3.918 1.00 0.00 H new ATOM 1270 N PHE A 98 77.670 1.990 6.800 1.00 0.00 N ATOM 1271 CA PHE A 98 77.940 2.736 8.018 1.00 0.00 C ATOM 1272 C PHE A 98 76.679 3.463 8.451 1.00 0.00 C ATOM 1273 O PHE A 98 76.177 4.325 7.729 1.00 0.00 O ATOM 1274 CB PHE A 98 79.052 3.757 7.769 1.00 0.00 C ATOM 1275 CG PHE A 98 80.315 3.035 7.369 1.00 0.00 C ATOM 1276 CD1 PHE A 98 80.576 2.789 6.016 1.00 0.00 C ATOM 1277 CD2 PHE A 98 81.224 2.616 8.345 1.00 0.00 C ATOM 1278 CE1 PHE A 98 81.745 2.121 5.639 1.00 0.00 C ATOM 1279 CE2 PHE A 98 82.396 1.948 7.968 1.00 0.00 C ATOM 1280 CZ PHE A 98 82.656 1.701 6.614 1.00 0.00 C ATOM 0 H PHE A 98 77.810 2.515 5.937 1.00 0.00 H new ATOM 0 HA PHE A 98 78.256 2.045 8.799 1.00 0.00 H new ATOM 0 HB2 PHE A 98 78.753 4.452 6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 98 79.227 4.347 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 98 79.874 3.115 5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 98 81.023 2.807 9.389 1.00 0.00 H new ATOM 0 HE1 PHE A 98 81.945 1.929 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 98 83.099 1.624 8.721 1.00 0.00 H new ATOM 0 HZ PHE A 98 83.560 1.186 6.323 1.00 0.00 H new ATOM 1290 N LYS A 99 76.173 3.105 9.627 1.00 0.00 N ATOM 1291 CA LYS A 99 74.960 3.722 10.149 1.00 0.00 C ATOM 1292 C LYS A 99 75.235 5.162 10.565 1.00 0.00 C ATOM 1293 O LYS A 99 74.330 5.996 10.592 1.00 0.00 O ATOM 1294 CB LYS A 99 74.446 2.930 11.355 1.00 0.00 C ATOM 1295 CG LYS A 99 74.164 1.484 10.935 1.00 0.00 C ATOM 1296 CD LYS A 99 73.302 0.797 11.998 1.00 0.00 C ATOM 1297 CE LYS A 99 71.822 0.997 11.656 1.00 0.00 C ATOM 1298 NZ LYS A 99 70.976 0.395 12.724 1.00 0.00 N ATOM 0 H LYS A 99 76.582 2.394 10.234 1.00 0.00 H new ATOM 0 HA LYS A 99 74.203 3.717 9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 99 75.184 2.949 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.538 3.390 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 99 73.653 1.468 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 99 75.101 0.943 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.537 -0.267 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 99 73.519 1.212 12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 99 71.601 2.060 11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 99 71.595 0.536 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 69.972 0.532 12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 71.179 -0.622 12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 71.185 0.855 13.633 1.00 0.00 H new ATOM 1312 N ALA A 100 76.493 5.448 10.890 1.00 0.00 N ATOM 1313 CA ALA A 100 76.876 6.792 11.306 1.00 0.00 C ATOM 1314 C ALA A 100 76.691 7.782 10.159 1.00 0.00 C ATOM 1315 O ALA A 100 76.415 8.961 10.384 1.00 0.00 O ATOM 1316 CB ALA A 100 78.337 6.800 11.758 1.00 0.00 C ATOM 0 H ALA A 100 77.258 4.773 10.873 1.00 0.00 H new ATOM 0 HA ALA A 100 76.236 7.092 12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 100 78.617 7.807 12.067 1.00 0.00 H new ATOM 0 HB2 ALA A 100 78.462 6.115 12.596 1.00 0.00 H new ATOM 0 HB3 ALA A 100 78.975 6.484 10.933 1.00 0.00 H new ATOM 1322 N GLY A 101 76.846 7.292 8.930 1.00 0.00 N ATOM 1323 CA GLY A 101 76.693 8.137 7.748 1.00 0.00 C ATOM 1324 C GLY A 101 75.655 7.556 6.794 1.00 0.00 C ATOM 1325 O GLY A 101 75.355 8.143 5.755 1.00 0.00 O ATOM 0 H GLY A 101 77.076 6.319 8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 101 76.394 9.141 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 101 77.651 8.230 7.236 1.00 0.00 H new ATOM 1329 N SER A 102 75.115 6.398 7.154 1.00 0.00 N ATOM 1330 CA SER A 102 74.116 5.741 6.321 1.00 0.00 C ATOM 1331 C SER A 102 74.579 5.694 4.872 1.00 0.00 C ATOM 1332 O SER A 102 73.866 6.136 3.970 1.00 0.00 O ATOM 1333 CB SER A 102 72.787 6.480 6.402 1.00 0.00 C ATOM 1334 OG SER A 102 72.350 6.518 7.752 1.00 0.00 O ATOM 0 H SER A 102 75.350 5.897 8.011 1.00 0.00 H new ATOM 0 HA SER A 102 73.984 4.723 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 102 72.898 7.493 6.015 1.00 0.00 H new ATOM 0 HB3 SER A 102 72.043 5.981 5.781 1.00 0.00 H new ATOM 0 HG SER A 102 71.496 6.995 7.806 1.00 0.00 H new ATOM 1340 N LYS A 103 75.775 5.157 4.658 1.00 0.00 N ATOM 1341 CA LYS A 103 76.327 5.060 3.305 1.00 0.00 C ATOM 1342 C LYS A 103 76.786 3.638 3.015 1.00 0.00 C ATOM 1343 O LYS A 103 77.180 2.914 3.923 1.00 0.00 O ATOM 1344 CB LYS A 103 77.518 6.006 3.148 1.00 0.00 C ATOM 1345 CG LYS A 103 78.509 5.774 4.291 1.00 0.00 C ATOM 1346 CD LYS A 103 79.940 5.850 3.756 1.00 0.00 C ATOM 1347 CE LYS A 103 80.900 6.124 4.915 1.00 0.00 C ATOM 1348 NZ LYS A 103 80.886 7.578 5.240 1.00 0.00 N ATOM 0 H LYS A 103 76.378 4.785 5.392 1.00 0.00 H new ATOM 0 HA LYS A 103 75.542 5.338 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 103 78.007 5.836 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 103 77.177 7.041 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 103 78.362 6.522 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 103 78.332 4.800 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 103 80.206 4.915 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 103 80.019 6.639 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 103 80.607 5.542 5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 103 81.909 5.810 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 81.778 8.012 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 80.089 8.035 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 80.780 7.703 6.267 1.00 0.00 H new ATOM 1362 N ARG A 104 76.738 3.249 1.744 1.00 0.00 N ATOM 1363 CA ARG A 104 77.155 1.909 1.347 1.00 0.00 C ATOM 1364 C ARG A 104 78.447 1.965 0.545 1.00 0.00 C ATOM 1365 O ARG A 104 78.505 2.582 -0.519 1.00 0.00 O ATOM 1366 CB ARG A 104 76.065 1.252 0.500 1.00 0.00 C ATOM 1367 CG ARG A 104 74.697 1.442 1.171 1.00 0.00 C ATOM 1368 CD ARG A 104 74.211 2.892 1.021 1.00 0.00 C ATOM 1369 NE ARG A 104 72.811 2.906 0.614 1.00 0.00 N ATOM 1370 CZ ARG A 104 72.463 2.636 -0.639 1.00 0.00 C ATOM 1371 NH1 ARG A 104 71.207 2.669 -0.987 1.00 0.00 N ATOM 1372 NH2 ARG A 104 73.377 2.333 -1.519 1.00 0.00 N ATOM 0 H ARG A 104 76.417 3.839 0.976 1.00 0.00 H new ATOM 0 HA ARG A 104 77.322 1.322 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 104 76.054 1.690 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 104 76.276 0.190 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 104 73.971 0.763 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 104 74.767 1.185 2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 104 74.330 3.424 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 104 74.819 3.414 0.282 1.00 0.00 H new ATOM 0 HE ARG A 104 72.089 3.126 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 104 70.493 2.902 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 104 70.939 2.462 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 104 74.359 2.303 -1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 104 73.110 2.126 -2.481 1.00 0.00 H new ATOM 1386 N LEU A 105 79.483 1.314 1.063 1.00 0.00 N ATOM 1387 CA LEU A 105 80.773 1.295 0.385 1.00 0.00 C ATOM 1388 C LEU A 105 80.987 -0.053 -0.294 1.00 0.00 C ATOM 1389 O LEU A 105 80.865 -1.102 0.339 1.00 0.00 O ATOM 1390 CB LEU A 105 81.894 1.545 1.396 1.00 0.00 C ATOM 1391 CG LEU A 105 82.939 2.477 0.776 1.00 0.00 C ATOM 1392 CD1 LEU A 105 82.393 3.908 0.728 1.00 0.00 C ATOM 1393 CD2 LEU A 105 84.213 2.449 1.623 1.00 0.00 C ATOM 0 H LEU A 105 79.456 0.797 1.942 1.00 0.00 H new ATOM 0 HA LEU A 105 80.786 2.081 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.487 1.990 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.357 0.601 1.683 1.00 0.00 H new ATOM 0 HG LEU A 105 83.164 2.142 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.140 4.568 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 105 81.486 3.931 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 105 82.165 4.244 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.957 3.112 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 105 83.984 2.782 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.606 1.433 1.655 1.00 0.00 H new ATOM 1405 N PHE A 106 81.305 -0.016 -1.585 1.00 0.00 N ATOM 1406 CA PHE A 106 81.531 -1.242 -2.346 1.00 0.00 C ATOM 1407 C PHE A 106 83.005 -1.384 -2.716 1.00 0.00 C ATOM 1408 O PHE A 106 83.547 -0.578 -3.477 1.00 0.00 O ATOM 1409 CB PHE A 106 80.682 -1.221 -3.618 1.00 0.00 C ATOM 1410 CG PHE A 106 80.173 0.182 -3.863 1.00 0.00 C ATOM 1411 CD1 PHE A 106 80.979 1.117 -4.527 1.00 0.00 C ATOM 1412 CD2 PHE A 106 78.894 0.545 -3.426 1.00 0.00 C ATOM 1413 CE1 PHE A 106 80.502 2.415 -4.752 1.00 0.00 C ATOM 1414 CE2 PHE A 106 78.419 1.843 -3.651 1.00 0.00 C ATOM 1415 CZ PHE A 106 79.223 2.777 -4.314 1.00 0.00 C ATOM 0 H PHE A 106 81.412 0.844 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 106 81.245 -2.092 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 106 81.274 -1.558 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 106 79.844 -1.911 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 106 81.966 0.837 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 106 78.273 -0.176 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 106 81.122 3.137 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 106 77.432 2.123 -3.313 1.00 0.00 H new ATOM 0 HZ PHE A 106 78.856 3.778 -4.488 1.00 0.00 H new ATOM 1425 N PHE A 107 83.645 -2.418 -2.179 1.00 0.00 N ATOM 1426 CA PHE A 107 85.054 -2.662 -2.466 1.00 0.00 C ATOM 1427 C PHE A 107 85.385 -4.139 -2.287 1.00 0.00 C ATOM 1428 O PHE A 107 84.615 -4.891 -1.686 1.00 0.00 O ATOM 1429 CB PHE A 107 85.940 -1.822 -1.543 1.00 0.00 C ATOM 1430 CG PHE A 107 85.840 -2.345 -0.132 1.00 0.00 C ATOM 1431 CD1 PHE A 107 86.745 -3.315 0.314 1.00 0.00 C ATOM 1432 CD2 PHE A 107 84.850 -1.861 0.731 1.00 0.00 C ATOM 1433 CE1 PHE A 107 86.658 -3.805 1.621 1.00 0.00 C ATOM 1434 CE2 PHE A 107 84.763 -2.351 2.040 1.00 0.00 C ATOM 1435 CZ PHE A 107 85.668 -3.323 2.485 1.00 0.00 C ATOM 0 H PHE A 107 83.215 -3.095 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 107 85.246 -2.377 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 107 86.975 -1.859 -1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.631 -0.777 -1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 107 87.511 -3.685 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 107 84.154 -1.110 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.355 -4.556 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 107 83.998 -1.980 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.602 -3.701 3.495 1.00 0.00 H new ATOM 1445 N TRP A 108 86.530 -4.550 -2.815 1.00 0.00 N ATOM 1446 CA TRP A 108 86.951 -5.942 -2.715 1.00 0.00 C ATOM 1447 C TRP A 108 88.457 -6.031 -2.497 1.00 0.00 C ATOM 1448 O TRP A 108 89.191 -5.080 -2.769 1.00 0.00 O ATOM 1449 CB TRP A 108 86.565 -6.691 -3.996 1.00 0.00 C ATOM 1450 CG TRP A 108 87.313 -6.112 -5.157 1.00 0.00 C ATOM 1451 CD1 TRP A 108 87.191 -4.837 -5.597 1.00 0.00 C ATOM 1452 CD2 TRP A 108 88.272 -6.762 -6.045 1.00 0.00 C ATOM 1453 NE1 TRP A 108 88.032 -4.656 -6.679 1.00 0.00 N ATOM 1454 CE2 TRP A 108 88.717 -5.813 -6.996 1.00 0.00 C ATOM 1455 CE3 TRP A 108 88.800 -8.066 -6.116 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 89.651 -6.142 -7.978 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 89.741 -8.402 -7.107 1.00 0.00 C ATOM 1458 CH2 TRP A 108 90.164 -7.441 -8.035 1.00 0.00 C ATOM 0 H TRP A 108 87.181 -3.944 -3.314 1.00 0.00 H new ATOM 0 HA TRP A 108 86.450 -6.399 -1.862 1.00 0.00 H new ATOM 0 HB2 TRP A 108 86.795 -7.751 -3.893 1.00 0.00 H new ATOM 0 HB3 TRP A 108 85.491 -6.613 -4.166 1.00 0.00 H new ATOM 0 HD1 TRP A 108 86.543 -4.085 -5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 108 88.134 -3.775 -7.182 1.00 0.00 H new ATOM 0 HE3 TRP A 108 88.480 -8.813 -5.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 89.976 -5.398 -8.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 90.139 -9.405 -7.153 1.00 0.00 H new ATOM 0 HH2 TRP A 108 90.886 -7.704 -8.794 1.00 0.00 H new ATOM 1469 N MET A 109 88.903 -7.179 -1.998 1.00 0.00 N ATOM 1470 CA MET A 109 90.319 -7.416 -1.729 1.00 0.00 C ATOM 1471 C MET A 109 91.123 -7.385 -3.030 1.00 0.00 C ATOM 1472 O MET A 109 91.716 -8.381 -3.443 1.00 0.00 O ATOM 1473 CB MET A 109 90.507 -8.749 -0.984 1.00 0.00 C ATOM 1474 CG MET A 109 91.217 -8.489 0.348 1.00 0.00 C ATOM 1475 SD MET A 109 90.117 -7.550 1.435 1.00 0.00 S ATOM 1476 CE MET A 109 91.124 -7.685 2.929 1.00 0.00 C ATOM 0 H MET A 109 88.298 -7.968 -1.769 1.00 0.00 H new ATOM 0 HA MET A 109 90.694 -6.619 -1.087 1.00 0.00 H new ATOM 0 HB2 MET A 109 89.540 -9.220 -0.808 1.00 0.00 H new ATOM 0 HB3 MET A 109 91.092 -9.439 -1.592 1.00 0.00 H new ATOM 0 HG2 MET A 109 91.492 -9.433 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 109 92.141 -7.935 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 109 90.629 -7.166 3.750 1.00 0.00 H new ATOM 0 HE2 MET A 109 91.251 -8.736 3.188 1.00 0.00 H new ATOM 0 HE3 MET A 109 92.101 -7.235 2.751 1.00 0.00 H new ATOM 1486 N GLN A 110 91.132 -6.231 -3.684 1.00 0.00 N ATOM 1487 CA GLN A 110 91.855 -6.094 -4.936 1.00 0.00 C ATOM 1488 C GLN A 110 93.337 -6.314 -4.699 1.00 0.00 C ATOM 1489 O GLN A 110 94.099 -6.547 -5.635 1.00 0.00 O ATOM 1490 CB GLN A 110 91.636 -4.699 -5.529 1.00 0.00 C ATOM 1491 CG GLN A 110 92.319 -4.601 -6.898 1.00 0.00 C ATOM 1492 CD GLN A 110 93.787 -4.212 -6.729 1.00 0.00 C ATOM 1493 OE1 GLN A 110 94.124 -3.421 -5.848 1.00 0.00 O ATOM 1494 NE2 GLN A 110 94.688 -4.736 -7.516 1.00 0.00 N ATOM 0 H GLN A 110 90.652 -5.387 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 110 91.481 -6.840 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 110 90.569 -4.501 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 110 92.039 -3.941 -4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 110 92.246 -5.556 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 110 91.808 -3.862 -7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 110 94.409 -5.391 -8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 110 95.671 -4.490 -7.401 1.00 0.00 H new ATOM 1503 N GLU A 111 93.749 -6.228 -3.442 1.00 0.00 N ATOM 1504 CA GLU A 111 95.153 -6.409 -3.117 1.00 0.00 C ATOM 1505 C GLU A 111 95.646 -7.777 -3.638 1.00 0.00 C ATOM 1506 O GLU A 111 94.972 -8.789 -3.435 1.00 0.00 O ATOM 1507 CB GLU A 111 95.352 -6.333 -1.597 1.00 0.00 C ATOM 1508 CG GLU A 111 96.849 -6.251 -1.277 1.00 0.00 C ATOM 1509 CD GLU A 111 97.077 -6.258 0.233 1.00 0.00 C ATOM 1510 OE1 GLU A 111 96.103 -6.158 0.960 1.00 0.00 O ATOM 1511 OE2 GLU A 111 98.223 -6.364 0.638 1.00 0.00 O ATOM 0 H GLU A 111 93.142 -6.037 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 111 95.729 -5.617 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 111 94.836 -5.461 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 111 94.915 -7.210 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 111 97.370 -7.093 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 111 97.270 -5.343 -1.710 1.00 0.00 H new ATOM 1518 N PRO A 112 96.789 -7.840 -4.308 1.00 0.00 N ATOM 1519 CA PRO A 112 97.330 -9.132 -4.851 1.00 0.00 C ATOM 1520 C PRO A 112 97.652 -10.155 -3.759 1.00 0.00 C ATOM 1521 O PRO A 112 97.811 -11.344 -4.036 1.00 0.00 O ATOM 1522 CB PRO A 112 98.600 -8.720 -5.609 1.00 0.00 C ATOM 1523 CG PRO A 112 98.985 -7.395 -5.048 1.00 0.00 C ATOM 1524 CD PRO A 112 97.689 -6.712 -4.634 1.00 0.00 C ATOM 0 HA PRO A 112 96.595 -9.631 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 112 99.396 -9.452 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 112 98.413 -8.653 -6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 112 99.652 -7.514 -4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 112 99.519 -6.800 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 112 97.838 -6.057 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 112 97.285 -6.097 -5.438 1.00 0.00 H new ATOM 1532 N LYS A 113 97.742 -9.689 -2.520 1.00 0.00 N ATOM 1533 CA LYS A 113 98.038 -10.571 -1.399 1.00 0.00 C ATOM 1534 C LYS A 113 96.746 -11.118 -0.808 1.00 0.00 C ATOM 1535 O LYS A 113 96.090 -10.454 -0.004 1.00 0.00 O ATOM 1536 CB LYS A 113 98.809 -9.797 -0.326 1.00 0.00 C ATOM 1537 CG LYS A 113 100.113 -9.254 -0.920 1.00 0.00 C ATOM 1538 CD LYS A 113 101.217 -10.301 -0.769 1.00 0.00 C ATOM 1539 CE LYS A 113 102.503 -9.784 -1.415 1.00 0.00 C ATOM 1540 NZ LYS A 113 102.914 -10.714 -2.504 1.00 0.00 N ATOM 0 H LYS A 113 97.615 -8.709 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 113 98.646 -11.404 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 113 98.200 -8.976 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 113 99.027 -10.448 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 113 99.971 -9.009 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 113 100.400 -8.332 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 113 101.388 -10.515 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 113 100.912 -11.236 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 113 102.345 -8.783 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 113 103.294 -9.707 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 103.789 -10.366 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 103.080 -11.661 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 102.161 -10.765 -3.220 1.00 0.00 H new ATOM 1554 N THR A 114 96.384 -12.328 -1.223 1.00 0.00 N ATOM 1555 CA THR A 114 95.162 -12.962 -0.744 1.00 0.00 C ATOM 1556 C THR A 114 95.475 -14.251 0.001 1.00 0.00 C ATOM 1557 O THR A 114 94.709 -15.214 -0.055 1.00 0.00 O ATOM 1558 CB THR A 114 94.225 -13.251 -1.920 1.00 0.00 C ATOM 1559 OG1 THR A 114 94.874 -14.117 -2.842 1.00 0.00 O ATOM 1560 CG2 THR A 114 93.861 -11.938 -2.617 1.00 0.00 C ATOM 0 H THR A 114 96.918 -12.887 -1.888 1.00 0.00 H new ATOM 0 HA THR A 114 94.670 -12.278 -0.053 1.00 0.00 H new ATOM 0 HB THR A 114 93.317 -13.729 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 114 94.274 -14.303 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 114 93.194 -12.143 -3.454 1.00 0.00 H new ATOM 0 HG22 THR A 114 93.362 -11.276 -1.909 1.00 0.00 H new ATOM 0 HG23 THR A 114 94.768 -11.458 -2.985 1.00 0.00 H new ATOM 1568 N ASP A 115 96.605 -14.265 0.692 1.00 0.00 N ATOM 1569 CA ASP A 115 97.012 -15.447 1.445 1.00 0.00 C ATOM 1570 C ASP A 115 96.464 -15.411 2.872 1.00 0.00 C ATOM 1571 O ASP A 115 96.455 -16.430 3.564 1.00 0.00 O ATOM 1572 CB ASP A 115 98.539 -15.545 1.480 1.00 0.00 C ATOM 1573 CG ASP A 115 98.963 -16.891 2.059 1.00 0.00 C ATOM 1574 OD1 ASP A 115 99.141 -16.965 3.264 1.00 0.00 O ATOM 1575 OD2 ASP A 115 99.104 -17.826 1.290 1.00 0.00 O ATOM 0 H ASP A 115 97.253 -13.480 0.749 1.00 0.00 H new ATOM 0 HA ASP A 115 96.601 -16.323 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 115 98.942 -15.430 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 115 98.950 -14.735 2.083 1.00 0.00 H new ATOM 1580 N GLN A 116 96.015 -14.238 3.309 1.00 0.00 N ATOM 1581 CA GLN A 116 95.479 -14.088 4.653 1.00 0.00 C ATOM 1582 C GLN A 116 94.159 -13.328 4.617 1.00 0.00 C ATOM 1583 O GLN A 116 93.766 -12.687 5.592 1.00 0.00 O ATOM 1584 CB GLN A 116 96.497 -13.347 5.527 1.00 0.00 C ATOM 1585 CG GLN A 116 97.122 -14.324 6.525 1.00 0.00 C ATOM 1586 CD GLN A 116 97.893 -15.409 5.784 1.00 0.00 C ATOM 1587 OE1 GLN A 116 97.514 -16.580 5.826 1.00 0.00 O ATOM 1588 NE2 GLN A 116 98.960 -15.089 5.106 1.00 0.00 N ATOM 0 H GLN A 116 96.013 -13.383 2.753 1.00 0.00 H new ATOM 0 HA GLN A 116 95.292 -15.075 5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 116 97.272 -12.903 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 116 96.009 -12.530 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 116 97.790 -13.789 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 116 96.343 -14.776 7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 116 99.271 -14.118 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 116 99.483 -15.809 4.608 1.00 0.00 H new ATOM 1597 N ASP A 117 93.470 -13.406 3.486 1.00 0.00 N ATOM 1598 CA ASP A 117 92.195 -12.716 3.350 1.00 0.00 C ATOM 1599 C ASP A 117 91.182 -13.216 4.371 1.00 0.00 C ATOM 1600 O ASP A 117 90.425 -12.429 4.935 1.00 0.00 O ATOM 1601 CB ASP A 117 91.621 -12.907 1.944 1.00 0.00 C ATOM 1602 CG ASP A 117 92.341 -12.013 0.942 1.00 0.00 C ATOM 1603 OD1 ASP A 117 93.104 -11.163 1.369 1.00 0.00 O ATOM 1604 OD2 ASP A 117 92.112 -12.188 -0.245 1.00 0.00 O ATOM 0 H ASP A 117 93.766 -13.931 2.663 1.00 0.00 H new ATOM 0 HA ASP A 117 92.383 -11.657 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 117 91.719 -13.950 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 117 90.556 -12.675 1.946 1.00 0.00 H new ATOM 1609 N GLU A 118 91.162 -14.523 4.600 1.00 0.00 N ATOM 1610 CA GLU A 118 90.225 -15.104 5.545 1.00 0.00 C ATOM 1611 C GLU A 118 90.506 -14.605 6.954 1.00 0.00 C ATOM 1612 O GLU A 118 89.587 -14.252 7.693 1.00 0.00 O ATOM 1613 CB GLU A 118 90.335 -16.630 5.505 1.00 0.00 C ATOM 1614 CG GLU A 118 89.300 -17.252 6.447 1.00 0.00 C ATOM 1615 CD GLU A 118 89.369 -18.773 6.364 1.00 0.00 C ATOM 1616 OE1 GLU A 118 90.431 -19.314 6.623 1.00 0.00 O ATOM 1617 OE2 GLU A 118 88.358 -19.376 6.043 1.00 0.00 O ATOM 0 H GLU A 118 91.781 -15.195 4.146 1.00 0.00 H new ATOM 0 HA GLU A 118 89.215 -14.803 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 118 90.176 -16.988 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 118 91.338 -16.939 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 118 89.485 -16.926 7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 118 88.300 -16.910 6.180 1.00 0.00 H new ATOM 1624 N GLU A 119 91.778 -14.587 7.323 1.00 0.00 N ATOM 1625 CA GLU A 119 92.169 -14.142 8.647 1.00 0.00 C ATOM 1626 C GLU A 119 91.936 -12.647 8.802 1.00 0.00 C ATOM 1627 O GLU A 119 91.458 -12.191 9.835 1.00 0.00 O ATOM 1628 CB GLU A 119 93.647 -14.450 8.886 1.00 0.00 C ATOM 1629 CG GLU A 119 93.982 -14.278 10.368 1.00 0.00 C ATOM 1630 CD GLU A 119 93.362 -15.409 11.183 1.00 0.00 C ATOM 1631 OE1 GLU A 119 92.864 -16.345 10.577 1.00 0.00 O ATOM 1632 OE2 GLU A 119 93.398 -15.327 12.399 1.00 0.00 O ATOM 0 H GLU A 119 92.553 -14.875 6.725 1.00 0.00 H new ATOM 0 HA GLU A 119 91.560 -14.673 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 119 93.871 -15.469 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 119 94.268 -13.786 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 119 95.063 -14.271 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 119 93.609 -13.317 10.723 1.00 0.00 H new ATOM 1639 N HIS A 120 92.285 -11.889 7.767 1.00 0.00 N ATOM 1640 CA HIS A 120 92.121 -10.440 7.804 1.00 0.00 C ATOM 1641 C HIS A 120 90.648 -10.061 7.857 1.00 0.00 C ATOM 1642 O HIS A 120 90.257 -9.168 8.606 1.00 0.00 O ATOM 1643 CB HIS A 120 92.763 -9.807 6.568 1.00 0.00 C ATOM 1644 CG HIS A 120 94.256 -9.969 6.635 1.00 0.00 C ATOM 1645 ND1 HIS A 120 94.928 -10.147 7.835 1.00 0.00 N ATOM 1646 CD2 HIS A 120 95.223 -9.976 5.660 1.00 0.00 C ATOM 1647 CE1 HIS A 120 96.239 -10.255 7.554 1.00 0.00 C ATOM 1648 NE2 HIS A 120 96.475 -10.157 6.243 1.00 0.00 N ATOM 0 H HIS A 120 92.680 -12.250 6.899 1.00 0.00 H new ATOM 0 HA HIS A 120 92.612 -10.068 8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 120 92.376 -10.278 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 120 92.504 -8.750 6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 120 95.040 -9.859 4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 120 97.008 -10.403 8.298 1.00 0.00 H new ATOM 0 HE2 HIS A 120 97.378 -10.204 5.770 1.00 0.00 H new ATOM 1656 N CYS A 121 89.840 -10.747 7.061 1.00 0.00 N ATOM 1657 CA CYS A 121 88.413 -10.476 7.025 1.00 0.00 C ATOM 1658 C CYS A 121 87.791 -10.766 8.381 1.00 0.00 C ATOM 1659 O CYS A 121 87.044 -9.953 8.924 1.00 0.00 O ATOM 1660 CB CYS A 121 87.742 -11.337 5.954 1.00 0.00 C ATOM 1661 SG CYS A 121 85.971 -10.965 5.896 1.00 0.00 S ATOM 0 H CYS A 121 90.148 -11.491 6.435 1.00 0.00 H new ATOM 0 HA CYS A 121 88.263 -9.424 6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 121 88.196 -11.145 4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 121 87.895 -12.394 6.174 1.00 0.00 H new ATOM 0 HG CYS A 121 85.403 -11.697 4.984 1.00 0.00 H new ATOM 1667 N ARG A 122 88.110 -11.934 8.923 1.00 0.00 N ATOM 1668 CA ARG A 122 87.583 -12.328 10.220 1.00 0.00 C ATOM 1669 C ARG A 122 88.142 -11.434 11.316 1.00 0.00 C ATOM 1670 O ARG A 122 87.429 -11.037 12.236 1.00 0.00 O ATOM 1671 CB ARG A 122 87.944 -13.788 10.510 1.00 0.00 C ATOM 1672 CG ARG A 122 87.140 -14.734 9.602 1.00 0.00 C ATOM 1673 CD ARG A 122 85.644 -14.653 9.934 1.00 0.00 C ATOM 1674 NE ARG A 122 85.001 -15.927 9.643 1.00 0.00 N ATOM 1675 CZ ARG A 122 85.025 -16.916 10.528 1.00 0.00 C ATOM 1676 NH1 ARG A 122 84.431 -18.047 10.263 1.00 0.00 N ATOM 1677 NH2 ARG A 122 85.647 -16.757 11.664 1.00 0.00 N ATOM 0 H ARG A 122 88.727 -12.620 8.487 1.00 0.00 H new ATOM 0 HA ARG A 122 86.498 -12.222 10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 122 89.011 -13.943 10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 122 87.740 -14.018 11.556 1.00 0.00 H new ATOM 0 HG2 ARG A 122 87.302 -14.470 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 122 87.492 -15.758 9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 122 85.509 -14.400 10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 122 85.176 -13.859 9.352 1.00 0.00 H new ATOM 0 HE ARG A 122 84.527 -16.061 8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 122 83.947 -18.173 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 122 84.451 -18.805 10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 122 86.114 -15.874 11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 122 85.667 -17.516 12.345 1.00 0.00 H new ATOM 1691 N LYS A 123 89.426 -11.121 11.211 1.00 0.00 N ATOM 1692 CA LYS A 123 90.071 -10.272 12.202 1.00 0.00 C ATOM 1693 C LYS A 123 89.478 -8.876 12.179 1.00 0.00 C ATOM 1694 O LYS A 123 89.208 -8.287 13.224 1.00 0.00 O ATOM 1695 CB LYS A 123 91.574 -10.193 11.935 1.00 0.00 C ATOM 1696 CG LYS A 123 92.262 -11.441 12.498 1.00 0.00 C ATOM 1697 CD LYS A 123 92.408 -11.327 14.021 1.00 0.00 C ATOM 1698 CE LYS A 123 91.849 -12.583 14.697 1.00 0.00 C ATOM 1699 NZ LYS A 123 92.674 -13.763 14.313 1.00 0.00 N ATOM 0 H LYS A 123 90.036 -11.438 10.458 1.00 0.00 H new ATOM 0 HA LYS A 123 89.902 -10.711 13.185 1.00 0.00 H new ATOM 0 HB2 LYS A 123 91.760 -10.115 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 123 91.989 -9.297 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 123 91.682 -12.329 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 123 93.244 -11.561 12.040 1.00 0.00 H new ATOM 0 HD2 LYS A 123 93.458 -11.199 14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 123 91.879 -10.445 14.380 1.00 0.00 H new ATOM 0 HE2 LYS A 123 91.854 -12.459 15.780 1.00 0.00 H new ATOM 0 HE3 LYS A 123 90.812 -12.738 14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 92.370 -14.592 14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 92.553 -13.956 13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 93.676 -13.565 14.511 1.00 0.00 H new ATOM 1713 N VAL A 124 89.275 -8.354 10.978 1.00 0.00 N ATOM 1714 CA VAL A 124 88.711 -7.030 10.832 1.00 0.00 C ATOM 1715 C VAL A 124 87.288 -7.023 11.345 1.00 0.00 C ATOM 1716 O VAL A 124 86.881 -6.116 12.064 1.00 0.00 O ATOM 1717 CB VAL A 124 88.737 -6.609 9.363 1.00 0.00 C ATOM 1718 CG1 VAL A 124 87.952 -5.306 9.186 1.00 0.00 C ATOM 1719 CG2 VAL A 124 90.186 -6.394 8.925 1.00 0.00 C ATOM 0 H VAL A 124 89.492 -8.826 10.100 1.00 0.00 H new ATOM 0 HA VAL A 124 89.305 -6.323 11.412 1.00 0.00 H new ATOM 0 HB VAL A 124 88.281 -7.389 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 124 87.972 -5.008 8.138 1.00 0.00 H new ATOM 0 HG12 VAL A 124 86.919 -5.458 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 124 88.405 -4.523 9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 124 90.209 -6.094 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 124 90.639 -5.613 9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 124 90.745 -7.322 9.049 1.00 0.00 H new ATOM 1729 N ASN A 125 86.527 -8.042 10.960 1.00 0.00 N ATOM 1730 CA ASN A 125 85.143 -8.123 11.385 1.00 0.00 C ATOM 1731 C ASN A 125 85.033 -8.267 12.896 1.00 0.00 C ATOM 1732 O ASN A 125 84.173 -7.652 13.527 1.00 0.00 O ATOM 1733 CB ASN A 125 84.441 -9.293 10.699 1.00 0.00 C ATOM 1734 CG ASN A 125 84.230 -8.977 9.223 1.00 0.00 C ATOM 1735 OD1 ASN A 125 83.995 -7.824 8.861 1.00 0.00 O ATOM 1736 ND2 ASN A 125 84.307 -9.937 8.344 1.00 0.00 N ATOM 0 H ASN A 125 86.842 -8.808 10.365 1.00 0.00 H new ATOM 0 HA ASN A 125 84.655 -7.193 11.095 1.00 0.00 H new ATOM 0 HB2 ASN A 125 85.038 -10.199 10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 125 83.482 -9.485 11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 125 84.172 -9.734 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 125 84.502 -10.891 8.647 1.00 0.00 H new ATOM 1743 N GLU A 126 85.907 -9.081 13.471 1.00 0.00 N ATOM 1744 CA GLU A 126 85.902 -9.302 14.911 1.00 0.00 C ATOM 1745 C GLU A 126 86.243 -8.016 15.654 1.00 0.00 C ATOM 1746 O GLU A 126 85.633 -7.691 16.667 1.00 0.00 O ATOM 1747 CB GLU A 126 86.914 -10.392 15.263 1.00 0.00 C ATOM 1748 CG GLU A 126 86.853 -10.684 16.762 1.00 0.00 C ATOM 1749 CD GLU A 126 87.779 -11.846 17.105 1.00 0.00 C ATOM 1750 OE1 GLU A 126 88.340 -12.422 16.187 1.00 0.00 O ATOM 1751 OE2 GLU A 126 87.915 -12.141 18.281 1.00 0.00 O ATOM 0 H GLU A 126 86.626 -9.598 12.965 1.00 0.00 H new ATOM 0 HA GLU A 126 84.904 -9.619 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 126 86.699 -11.298 14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 126 87.919 -10.073 14.985 1.00 0.00 H new ATOM 0 HG2 GLU A 126 87.144 -9.798 17.326 1.00 0.00 H new ATOM 0 HG3 GLU A 126 85.830 -10.925 17.053 1.00 0.00 H new ATOM 1758 N TYR A 127 87.223 -7.284 15.147 1.00 0.00 N ATOM 1759 CA TYR A 127 87.619 -6.035 15.778 1.00 0.00 C ATOM 1760 C TYR A 127 86.531 -4.984 15.616 1.00 0.00 C ATOM 1761 O TYR A 127 86.296 -4.173 16.511 1.00 0.00 O ATOM 1762 CB TYR A 127 88.931 -5.538 15.172 1.00 0.00 C ATOM 1763 CG TYR A 127 90.088 -6.161 15.917 1.00 0.00 C ATOM 1764 CD1 TYR A 127 90.188 -7.553 16.016 1.00 0.00 C ATOM 1765 CD2 TYR A 127 91.068 -5.346 16.498 1.00 0.00 C ATOM 1766 CE1 TYR A 127 91.264 -8.131 16.703 1.00 0.00 C ATOM 1767 CE2 TYR A 127 92.142 -5.924 17.185 1.00 0.00 C ATOM 1768 CZ TYR A 127 92.242 -7.316 17.284 1.00 0.00 C ATOM 1769 OH TYR A 127 93.302 -7.886 17.959 1.00 0.00 O ATOM 0 H TYR A 127 87.753 -7.529 14.311 1.00 0.00 H new ATOM 0 HA TYR A 127 87.766 -6.214 16.843 1.00 0.00 H new ATOM 0 HB2 TYR A 127 88.980 -5.800 14.115 1.00 0.00 H new ATOM 0 HB3 TYR A 127 88.986 -4.451 15.234 1.00 0.00 H new ATOM 0 HD1 TYR A 127 89.436 -8.182 15.563 1.00 0.00 H new ATOM 0 HD2 TYR A 127 90.995 -4.272 16.416 1.00 0.00 H new ATOM 0 HE1 TYR A 127 91.338 -9.205 16.784 1.00 0.00 H new ATOM 0 HE2 TYR A 127 92.894 -5.295 17.639 1.00 0.00 H new ATOM 0 HH TYR A 127 93.890 -7.180 18.300 1.00 0.00 H new ATOM 1779 N LEU A 128 85.871 -5.000 14.465 1.00 0.00 N ATOM 1780 CA LEU A 128 84.811 -4.039 14.193 1.00 0.00 C ATOM 1781 C LEU A 128 83.558 -4.344 15.010 1.00 0.00 C ATOM 1782 O LEU A 128 82.927 -3.433 15.543 1.00 0.00 O ATOM 1783 CB LEU A 128 84.449 -4.061 12.705 1.00 0.00 C ATOM 1784 CG LEU A 128 84.939 -2.786 12.016 1.00 0.00 C ATOM 1785 CD1 LEU A 128 84.197 -1.570 12.579 1.00 0.00 C ATOM 1786 CD2 LEU A 128 86.440 -2.625 12.249 1.00 0.00 C ATOM 0 H LEU A 128 86.049 -5.663 13.710 1.00 0.00 H new ATOM 0 HA LEU A 128 85.182 -3.054 14.474 1.00 0.00 H new ATOM 0 HB2 LEU A 128 84.896 -4.934 12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 128 83.369 -4.152 12.589 1.00 0.00 H new ATOM 0 HG LEU A 128 84.743 -2.859 10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 128 84.551 -0.666 12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 128 83.127 -1.684 12.405 1.00 0.00 H new ATOM 0 HD13 LEU A 128 84.384 -1.494 13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 128 86.789 -1.717 11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 128 86.637 -2.558 13.319 1.00 0.00 H new ATOM 0 HD23 LEU A 128 86.967 -3.486 11.836 1.00 0.00 H new ATOM 1798 N ASN A 129 83.188 -5.621 15.080 1.00 0.00 N ATOM 1799 CA ASN A 129 81.987 -6.011 15.814 1.00 0.00 C ATOM 1800 C ASN A 129 82.336 -6.750 17.101 1.00 0.00 C ATOM 1801 O ASN A 129 81.788 -6.452 18.165 1.00 0.00 O ATOM 1802 CB ASN A 129 81.138 -6.928 14.935 1.00 0.00 C ATOM 1803 CG ASN A 129 80.542 -6.140 13.776 1.00 0.00 C ATOM 1804 OD1 ASN A 129 80.403 -4.921 13.856 1.00 0.00 O ATOM 1805 ND2 ASN A 129 80.189 -6.773 12.690 1.00 0.00 N ATOM 0 H ASN A 129 83.694 -6.392 14.645 1.00 0.00 H new ATOM 0 HA ASN A 129 81.438 -5.105 16.073 1.00 0.00 H new ATOM 0 HB2 ASN A 129 81.749 -7.745 14.553 1.00 0.00 H new ATOM 0 HB3 ASN A 129 80.341 -7.376 15.528 1.00 0.00 H new ATOM 0 HD21 ASN A 129 79.796 -6.256 11.903 1.00 0.00 H new ATOM 0 HD22 ASN A 129 80.306 -7.784 12.628 1.00 0.00 H new ATOM 1812 N ASN A 130 83.250 -7.704 17.003 1.00 0.00 N ATOM 1813 CA ASN A 130 83.667 -8.478 18.166 1.00 0.00 C ATOM 1814 C ASN A 130 82.454 -9.052 18.894 1.00 0.00 C ATOM 1815 O ASN A 130 81.412 -9.162 18.270 1.00 0.00 O ATOM 1816 CB ASN A 130 84.473 -7.584 19.111 1.00 0.00 C ATOM 1817 CG ASN A 130 85.823 -8.226 19.411 1.00 0.00 C ATOM 1818 OD1 ASN A 130 85.885 -9.407 19.755 1.00 0.00 O ATOM 1819 ND2 ASN A 130 86.912 -7.519 19.292 1.00 0.00 N ATOM 1820 OXT ASN A 130 82.587 -9.378 20.063 1.00 0.00 O ATOM 0 H ASN A 130 83.717 -7.961 16.133 1.00 0.00 H new ATOM 0 HA ASN A 130 84.289 -9.308 17.833 1.00 0.00 H new ATOM 0 HB2 ASN A 130 84.620 -6.603 18.660 1.00 0.00 H new ATOM 0 HB3 ASN A 130 83.921 -7.429 20.038 1.00 0.00 H new ATOM 0 HD21 ASN A 130 87.819 -7.944 19.484 1.00 0.00 H new ATOM 0 HD22 ASN A 130 86.857 -6.541 19.007 1.00 0.00 H new TER 1827 ASN A 130 ATOM 1828 N GLN B 940 98.991 -9.659 -11.975 1.00 0.00 N ATOM 1829 CA GLN B 940 98.360 -8.391 -12.437 1.00 0.00 C ATOM 1830 C GLN B 940 96.870 -8.424 -12.142 1.00 0.00 C ATOM 1831 O GLN B 940 96.084 -9.010 -12.890 1.00 0.00 O ATOM 1832 CB GLN B 940 98.586 -8.219 -13.937 1.00 0.00 C ATOM 1833 CG GLN B 940 97.985 -6.886 -14.391 1.00 0.00 C ATOM 1834 CD GLN B 940 98.391 -6.600 -15.831 1.00 0.00 C ATOM 1835 OE1 GLN B 940 99.569 -6.694 -16.173 1.00 0.00 O ATOM 1836 NE2 GLN B 940 97.482 -6.254 -16.702 1.00 0.00 N ATOM 0 HA GLN B 940 98.812 -7.551 -11.909 1.00 0.00 H new ATOM 0 HB2 GLN B 940 99.652 -8.245 -14.161 1.00 0.00 H new ATOM 0 HB3 GLN B 940 98.126 -9.043 -14.482 1.00 0.00 H new ATOM 0 HG2 GLN B 940 96.899 -6.920 -14.310 1.00 0.00 H new ATOM 0 HG3 GLN B 940 98.328 -6.082 -13.740 1.00 0.00 H new ATOM 0 HE21 GLN B 940 96.506 -6.177 -16.417 1.00 0.00 H new ATOM 0 HE22 GLN B 940 97.748 -6.061 -17.668 1.00 0.00 H new ATOM 1847 N GLU B 941 96.490 -7.790 -11.041 1.00 0.00 N ATOM 1848 CA GLU B 941 95.094 -7.740 -10.635 1.00 0.00 C ATOM 1849 C GLU B 941 94.593 -9.141 -10.246 1.00 0.00 C ATOM 1850 O GLU B 941 94.500 -10.022 -11.101 1.00 0.00 O ATOM 1851 CB GLU B 941 94.228 -7.193 -11.766 1.00 0.00 C ATOM 1852 CG GLU B 941 92.973 -6.557 -11.165 1.00 0.00 C ATOM 1853 CD GLU B 941 93.316 -5.213 -10.532 1.00 0.00 C ATOM 1854 OE1 GLU B 941 94.419 -4.738 -10.750 1.00 0.00 O ATOM 1855 OE2 GLU B 941 92.471 -4.678 -9.834 1.00 0.00 O ATOM 0 H GLU B 941 97.130 -7.303 -10.413 1.00 0.00 H new ATOM 0 HA GLU B 941 95.019 -7.079 -9.771 1.00 0.00 H new ATOM 0 HB2 GLU B 941 94.785 -6.455 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU B 941 93.953 -7.994 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU B 941 92.219 -6.420 -11.940 1.00 0.00 H new ATOM 0 HG3 GLU B 941 92.543 -7.221 -10.415 1.00 0.00 H new ATOM 1862 N PRO B 942 94.276 -9.387 -8.985 1.00 0.00 N ATOM 1863 CA PRO B 942 93.794 -10.733 -8.537 1.00 0.00 C ATOM 1864 C PRO B 942 92.352 -10.988 -8.966 1.00 0.00 C ATOM 1865 O PRO B 942 91.533 -10.070 -8.918 1.00 0.00 O ATOM 1866 CB PRO B 942 93.899 -10.667 -7.010 1.00 0.00 C ATOM 1867 CG PRO B 942 93.759 -9.223 -6.672 1.00 0.00 C ATOM 1868 CD PRO B 942 94.322 -8.435 -7.858 1.00 0.00 C ATOM 0 HA PRO B 942 94.376 -11.545 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO B 942 93.117 -11.260 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO B 942 94.854 -11.062 -6.663 1.00 0.00 H new ATOM 0 HG2 PRO B 942 92.714 -8.966 -6.498 1.00 0.00 H new ATOM 0 HG3 PRO B 942 94.302 -8.986 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO B 942 93.726 -7.546 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO B 942 95.340 -8.098 -7.664 1.00 0.00 H new ATOM 1876 N GLU B 943 92.063 -12.236 -9.375 1.00 0.00 N ATOM 1877 CA GLU B 943 90.715 -12.639 -9.814 1.00 0.00 C ATOM 1878 C GLU B 943 89.777 -11.445 -9.882 1.00 0.00 C ATOM 1879 O GLU B 943 88.913 -11.268 -9.018 1.00 0.00 O ATOM 1880 CB GLU B 943 90.152 -13.693 -8.857 1.00 0.00 C ATOM 1881 CG GLU B 943 90.482 -15.090 -9.391 1.00 0.00 C ATOM 1882 CD GLU B 943 89.607 -15.405 -10.600 1.00 0.00 C ATOM 1883 OE1 GLU B 943 88.707 -14.628 -10.874 1.00 0.00 O ATOM 1884 OE2 GLU B 943 89.848 -16.420 -11.233 1.00 0.00 O ATOM 0 H GLU B 943 92.751 -12.988 -9.411 1.00 0.00 H new ATOM 0 HA GLU B 943 90.795 -13.062 -10.816 1.00 0.00 H new ATOM 0 HB2 GLU B 943 90.577 -13.562 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU B 943 89.073 -13.574 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU B 943 91.534 -15.143 -9.670 1.00 0.00 H new ATOM 0 HG3 GLU B 943 90.321 -15.834 -8.611 1.00 0.00 H new ATOM 1891 N PRO B 944 89.957 -10.606 -10.867 1.00 0.00 N ATOM 1892 CA PRO B 944 89.140 -9.375 -11.016 1.00 0.00 C ATOM 1893 C PRO B 944 87.640 -9.676 -11.164 1.00 0.00 C ATOM 1894 O PRO B 944 87.259 -10.643 -11.824 1.00 0.00 O ATOM 1895 CB PRO B 944 89.689 -8.717 -12.282 1.00 0.00 C ATOM 1896 CG PRO B 944 91.037 -9.325 -12.489 1.00 0.00 C ATOM 1897 CD PRO B 944 90.942 -10.743 -11.949 1.00 0.00 C ATOM 0 HA PRO B 944 89.211 -8.739 -10.134 1.00 0.00 H new ATOM 0 HB2 PRO B 944 89.038 -8.903 -13.136 1.00 0.00 H new ATOM 0 HB3 PRO B 944 89.759 -7.636 -12.165 1.00 0.00 H new ATOM 0 HG2 PRO B 944 91.307 -9.327 -13.545 1.00 0.00 H new ATOM 0 HG3 PRO B 944 91.806 -8.758 -11.964 1.00 0.00 H new ATOM 0 HD2 PRO B 944 90.611 -11.447 -12.713 1.00 0.00 H new ATOM 0 HD3 PRO B 944 91.903 -11.102 -11.580 1.00 0.00 H new ATOM 1905 N PRO B 945 86.784 -8.863 -10.581 1.00 0.00 N ATOM 1906 CA PRO B 945 85.307 -9.048 -10.680 1.00 0.00 C ATOM 1907 C PRO B 945 84.797 -8.705 -12.074 1.00 0.00 C ATOM 1908 O PRO B 945 85.583 -8.379 -12.963 1.00 0.00 O ATOM 1909 CB PRO B 945 84.740 -8.087 -9.637 1.00 0.00 C ATOM 1910 CG PRO B 945 85.778 -7.029 -9.468 1.00 0.00 C ATOM 1911 CD PRO B 945 87.123 -7.685 -9.761 1.00 0.00 C ATOM 0 HA PRO B 945 85.007 -10.081 -10.505 1.00 0.00 H new ATOM 0 HB2 PRO B 945 83.794 -7.660 -9.970 1.00 0.00 H new ATOM 0 HB3 PRO B 945 84.545 -8.600 -8.695 1.00 0.00 H new ATOM 0 HG2 PRO B 945 85.597 -6.197 -10.148 1.00 0.00 H new ATOM 0 HG3 PRO B 945 85.757 -6.624 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO B 945 87.788 -7.007 -10.295 1.00 0.00 H new ATOM 0 HD3 PRO B 945 87.633 -7.974 -8.842 1.00 0.00 H new ATOM 1919 N GLU B 946 83.481 -8.779 -12.259 1.00 0.00 N ATOM 1920 CA GLU B 946 82.890 -8.474 -13.553 1.00 0.00 C ATOM 1921 C GLU B 946 81.763 -7.447 -13.400 1.00 0.00 C ATOM 1922 O GLU B 946 81.106 -7.403 -12.358 1.00 0.00 O ATOM 1923 CB GLU B 946 82.343 -9.752 -14.192 1.00 0.00 C ATOM 1924 CG GLU B 946 81.367 -10.436 -13.233 1.00 0.00 C ATOM 1925 CD GLU B 946 80.851 -11.727 -13.860 1.00 0.00 C ATOM 1926 OE1 GLU B 946 81.653 -12.439 -14.442 1.00 0.00 O ATOM 1927 OE2 GLU B 946 79.662 -11.981 -13.756 1.00 0.00 O ATOM 0 H GLU B 946 82.812 -9.045 -11.536 1.00 0.00 H new ATOM 0 HA GLU B 946 83.663 -8.052 -14.196 1.00 0.00 H new ATOM 0 HB2 GLU B 946 81.839 -9.514 -15.129 1.00 0.00 H new ATOM 0 HB3 GLU B 946 83.163 -10.428 -14.434 1.00 0.00 H new ATOM 0 HG2 GLU B 946 81.863 -10.653 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU B 946 80.533 -9.770 -13.011 1.00 0.00 H new ATOM 1934 N PRO B 947 81.516 -6.628 -14.400 1.00 0.00 N ATOM 1935 CA PRO B 947 80.429 -5.599 -14.331 1.00 0.00 C ATOM 1936 C PRO B 947 79.072 -6.197 -13.949 1.00 0.00 C ATOM 1937 O PRO B 947 78.610 -7.147 -14.581 1.00 0.00 O ATOM 1938 CB PRO B 947 80.361 -5.051 -15.761 1.00 0.00 C ATOM 1939 CG PRO B 947 81.699 -5.309 -16.358 1.00 0.00 C ATOM 1940 CD PRO B 947 82.237 -6.570 -15.695 1.00 0.00 C ATOM 0 HA PRO B 947 80.643 -4.848 -13.570 1.00 0.00 H new ATOM 0 HB2 PRO B 947 79.576 -5.546 -16.332 1.00 0.00 H new ATOM 0 HB3 PRO B 947 80.132 -3.985 -15.761 1.00 0.00 H new ATOM 0 HG2 PRO B 947 81.622 -5.441 -17.437 1.00 0.00 H new ATOM 0 HG3 PRO B 947 82.368 -4.466 -16.187 1.00 0.00 H new ATOM 0 HD2 PRO B 947 82.041 -7.455 -16.301 1.00 0.00 H new ATOM 0 HD3 PRO B 947 83.316 -6.516 -15.549 1.00 0.00 H new ATOM 1948 N PHE B 948 78.418 -5.615 -12.940 1.00 0.00 N ATOM 1949 CA PHE B 948 77.100 -6.095 -12.539 1.00 0.00 C ATOM 1950 C PHE B 948 76.309 -4.946 -11.921 1.00 0.00 C ATOM 1951 O PHE B 948 76.880 -4.095 -11.251 1.00 0.00 O ATOM 1952 CB PHE B 948 77.232 -7.233 -11.527 1.00 0.00 C ATOM 1953 CG PHE B 948 77.618 -6.678 -10.176 1.00 0.00 C ATOM 1954 CD1 PHE B 948 76.612 -6.247 -9.306 1.00 0.00 C ATOM 1955 CD2 PHE B 948 78.964 -6.612 -9.779 1.00 0.00 C ATOM 1956 CE1 PHE B 948 76.942 -5.748 -8.043 1.00 0.00 C ATOM 1957 CE2 PHE B 948 79.293 -6.109 -8.513 1.00 0.00 C ATOM 1958 CZ PHE B 948 78.280 -5.679 -7.644 1.00 0.00 C ATOM 0 H PHE B 948 78.773 -4.827 -12.398 1.00 0.00 H new ATOM 0 HA PHE B 948 76.577 -6.470 -13.419 1.00 0.00 H new ATOM 0 HB2 PHE B 948 76.289 -7.775 -11.451 1.00 0.00 H new ATOM 0 HB3 PHE B 948 77.984 -7.946 -11.865 1.00 0.00 H new ATOM 0 HD1 PHE B 948 75.577 -6.300 -9.611 1.00 0.00 H new ATOM 0 HD2 PHE B 948 79.743 -6.948 -10.447 1.00 0.00 H new ATOM 0 HE1 PHE B 948 76.162 -5.415 -7.374 1.00 0.00 H new ATOM 0 HE2 PHE B 948 80.327 -6.053 -8.207 1.00 0.00 H new ATOM 0 HZ PHE B 948 78.533 -5.295 -6.667 1.00 0.00 H new ATOM 1968 N GLU B 949 75.002 -4.921 -12.145 1.00 0.00 N ATOM 1969 CA GLU B 949 74.170 -3.853 -11.608 1.00 0.00 C ATOM 1970 C GLU B 949 73.737 -4.160 -10.179 1.00 0.00 C ATOM 1971 O GLU B 949 73.271 -5.257 -9.880 1.00 0.00 O ATOM 1972 CB GLU B 949 72.931 -3.681 -12.486 1.00 0.00 C ATOM 1973 CG GLU B 949 72.143 -4.996 -12.524 1.00 0.00 C ATOM 1974 CD GLU B 949 71.097 -5.022 -11.411 1.00 0.00 C ATOM 1975 OE1 GLU B 949 70.449 -4.009 -11.210 1.00 0.00 O ATOM 1976 OE2 GLU B 949 70.963 -6.055 -10.778 1.00 0.00 O ATOM 0 H GLU B 949 74.499 -5.621 -12.690 1.00 0.00 H new ATOM 0 HA GLU B 949 74.755 -2.934 -11.602 1.00 0.00 H new ATOM 0 HB2 GLU B 949 72.304 -2.880 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU B 949 73.225 -3.392 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU B 949 71.656 -5.107 -13.493 1.00 0.00 H new ATOM 0 HG3 GLU B 949 72.824 -5.839 -12.411 1.00 0.00 H new ATOM 1983 N TYR B 950 73.884 -3.168 -9.308 1.00 0.00 N ATOM 1984 CA TYR B 950 73.493 -3.316 -7.914 1.00 0.00 C ATOM 1985 C TYR B 950 72.116 -2.731 -7.689 1.00 0.00 C ATOM 1986 O TYR B 950 71.924 -1.516 -7.750 1.00 0.00 O ATOM 1987 CB TYR B 950 74.513 -2.620 -7.011 1.00 0.00 C ATOM 1988 CG TYR B 950 73.869 -2.280 -5.692 1.00 0.00 C ATOM 1989 CD1 TYR B 950 73.612 -3.287 -4.755 1.00 0.00 C ATOM 1990 CD2 TYR B 950 73.527 -0.953 -5.407 1.00 0.00 C ATOM 1991 CE1 TYR B 950 73.011 -2.966 -3.534 1.00 0.00 C ATOM 1992 CE2 TYR B 950 72.928 -0.632 -4.187 1.00 0.00 C ATOM 1993 CZ TYR B 950 72.669 -1.638 -3.250 1.00 0.00 C ATOM 1994 OH TYR B 950 72.075 -1.325 -2.045 1.00 0.00 O ATOM 0 H TYR B 950 74.271 -2.254 -9.544 1.00 0.00 H new ATOM 0 HA TYR B 950 73.465 -4.377 -7.668 1.00 0.00 H new ATOM 0 HB2 TYR B 950 75.374 -3.268 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR B 950 74.881 -1.714 -7.492 1.00 0.00 H new ATOM 0 HD1 TYR B 950 73.877 -4.311 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR B 950 73.726 -0.177 -6.131 1.00 0.00 H new ATOM 0 HE1 TYR B 950 72.811 -3.742 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR B 950 72.665 0.392 -3.967 1.00 0.00 H new ATOM 0 HH TYR B 950 71.903 -0.361 -2.006 1.00 0.00 H new ATOM 2004 N ILE B 951 71.161 -3.611 -7.421 1.00 0.00 N ATOM 2005 CA ILE B 951 69.799 -3.186 -7.184 1.00 0.00 C ATOM 2006 C ILE B 951 69.263 -3.865 -5.936 1.00 0.00 C ATOM 2007 O ILE B 951 69.253 -5.092 -5.842 1.00 0.00 O ATOM 2008 CB ILE B 951 68.928 -3.543 -8.389 1.00 0.00 C ATOM 2009 CG1 ILE B 951 67.545 -2.920 -8.209 1.00 0.00 C ATOM 2010 CG2 ILE B 951 68.788 -5.058 -8.501 1.00 0.00 C ATOM 2011 CD1 ILE B 951 66.759 -3.009 -9.518 1.00 0.00 C ATOM 0 H ILE B 951 71.309 -4.619 -7.364 1.00 0.00 H new ATOM 0 HA ILE B 951 69.778 -2.106 -7.040 1.00 0.00 H new ATOM 0 HB ILE B 951 69.394 -3.160 -9.297 1.00 0.00 H new ATOM 0 HG12 ILE B 951 67.005 -3.436 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE B 951 67.643 -1.878 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE B 951 68.166 -5.303 -9.362 1.00 0.00 H new ATOM 0 HG22 ILE B 951 69.774 -5.506 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE B 951 68.324 -5.448 -7.595 1.00 0.00 H new ATOM 0 HD11 ILE B 951 65.774 -2.563 -9.382 1.00 0.00 H new ATOM 0 HD12 ILE B 951 67.295 -2.473 -10.301 1.00 0.00 H new ATOM 0 HD13 ILE B 951 66.647 -4.055 -9.805 1.00 0.00 H new ATOM 2023 N ASP B 952 68.834 -3.061 -4.978 1.00 0.00 N ATOM 2024 CA ASP B 952 68.314 -3.598 -3.729 1.00 0.00 C ATOM 2025 C ASP B 952 67.164 -4.557 -4.001 1.00 0.00 C ATOM 2026 O ASP B 952 65.994 -4.191 -3.898 1.00 0.00 O ATOM 2027 CB ASP B 952 67.815 -2.453 -2.848 1.00 0.00 C ATOM 2028 CG ASP B 952 67.379 -2.983 -1.486 1.00 0.00 C ATOM 2029 OD1 ASP B 952 67.350 -4.191 -1.321 1.00 0.00 O ATOM 2030 OD2 ASP B 952 67.078 -2.170 -0.626 1.00 0.00 O ATOM 0 H ASP B 952 68.834 -2.043 -5.038 1.00 0.00 H new ATOM 0 HA ASP B 952 69.114 -4.136 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP B 952 68.604 -1.712 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP B 952 66.980 -1.949 -3.334 1.00 0.00 H new ATOM 2035 N ASP B 953 67.518 -5.792 -4.337 1.00 0.00 N ATOM 2036 CA ASP B 953 66.520 -6.819 -4.615 1.00 0.00 C ATOM 2037 C ASP B 953 65.655 -7.075 -3.385 1.00 0.00 C ATOM 2038 O ASP B 953 64.572 -6.518 -3.320 1.00 0.00 O ATOM 2039 CB ASP B 953 67.217 -8.117 -5.032 1.00 0.00 C ATOM 2040 CG ASP B 953 68.039 -7.897 -6.297 1.00 0.00 C ATOM 2041 OD1 ASP B 953 67.449 -7.567 -7.310 1.00 0.00 O ATOM 2042 OD2 ASP B 953 69.246 -8.060 -6.231 1.00 0.00 O ATOM 2043 OXT ASP B 953 66.086 -7.828 -2.527 1.00 0.00 O ATOM 0 H ASP B 953 68.485 -6.106 -4.423 1.00 0.00 H new ATOM 0 HA ASP B 953 65.880 -6.471 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP B 953 67.864 -8.465 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP B 953 66.475 -8.897 -5.204 1.00 0.00 H new TER 2048 ASP B 953