USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.7 K(o=1.7,f=-3.8!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 25 SER OG : rot 30:sc= 1.06 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 0.0195 (180deg=0.0037) USER MOD Single : A 32 MET CE :methyl -129:sc= -0.649 (180deg=-1.48) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 59:sc= 0.105 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.011) USER MOD Single : A 60 ASN : amide:sc= 0.592 K(o=0.59,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0.599) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.394 1.920 0.128 1.00 25.00 N ATOM 60 CA TYR A 5 13.892 0.614 0.553 1.00 25.00 C ATOM 61 C TYR A 5 13.404 -0.586 -0.276 1.00 25.00 C ATOM 62 O TYR A 5 12.493 -0.489 -1.093 1.00 25.00 O ATOM 63 CB TYR A 5 13.601 0.413 2.037 1.00 25.00 C ATOM 64 CG TYR A 5 14.409 1.324 2.939 1.00 25.00 C ATOM 65 CD1 TYR A 5 15.810 1.447 2.781 1.00 25.00 C ATOM 66 CD2 TYR A 5 13.788 2.050 3.974 1.00 25.00 C ATOM 67 CE1 TYR A 5 16.569 2.279 3.636 1.00 25.00 C ATOM 68 CE2 TYR A 5 14.550 2.885 4.836 1.00 25.00 C ATOM 69 CZ TYR A 5 15.935 2.989 4.657 1.00 25.00 C ATOM 70 OH TYR A 5 16.672 3.786 5.493 1.00 25.00 O ATOM 0 HA TYR A 5 14.967 0.637 0.372 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.540 0.584 2.218 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.807 -0.624 2.303 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.307 0.897 1.995 1.00 25.00 H new ATOM 0 HD2 TYR A 5 12.720 1.971 4.114 1.00 25.00 H new ATOM 0 HE1 TYR A 5 17.637 2.365 3.499 1.00 25.00 H new ATOM 0 HE2 TYR A 5 14.063 3.437 5.626 1.00 25.00 H new ATOM 0 HH TYR A 5 16.079 4.210 6.147 1.00 25.00 H new ATOM 80 N LEU A 6 14.094 -1.703 -0.098 1.00 25.00 N ATOM 81 CA LEU A 6 13.827 -2.933 -0.843 1.00 25.00 C ATOM 82 C LEU A 6 12.599 -3.654 -0.287 1.00 25.00 C ATOM 83 O LEU A 6 11.789 -4.181 -1.040 1.00 25.00 O ATOM 84 CB LEU A 6 15.041 -3.870 -0.746 1.00 25.00 C ATOM 85 CG LEU A 6 16.407 -3.359 -1.230 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.481 -4.405 -0.901 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.411 -3.067 -2.727 1.00 25.00 C ATOM 0 H LEU A 6 14.860 -1.786 0.570 1.00 25.00 H new ATOM 0 HA LEU A 6 13.639 -2.666 -1.883 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.149 -4.164 0.298 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.807 -4.773 -1.309 1.00 25.00 H new ATOM 0 HG LEU A 6 16.620 -2.422 -0.715 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.453 -4.048 -1.242 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.512 -4.568 0.176 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.242 -5.342 -1.403 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.396 -2.708 -3.025 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.175 -3.979 -3.276 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.664 -2.305 -2.951 1.00 25.00 H new ATOM 99 N ASN A 7 12.489 -3.663 1.039 1.00 25.00 N ATOM 100 CA ASN A 7 11.365 -4.274 1.771 1.00 25.00 C ATOM 101 C ASN A 7 11.116 -5.745 1.404 1.00 25.00 C ATOM 102 O ASN A 7 9.995 -6.142 1.091 1.00 25.00 O ATOM 103 CB ASN A 7 10.096 -3.440 1.563 1.00 25.00 C ATOM 104 CG ASN A 7 10.296 -2.004 1.943 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.617 -1.690 3.078 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.151 -1.131 0.994 1.00 25.00 N ATOM 0 H ASN A 7 13.186 -3.241 1.652 1.00 25.00 H new ATOM 0 HA ASN A 7 11.640 -4.275 2.826 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.791 -3.499 0.518 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.284 -3.862 2.156 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.307 -0.141 1.184 1.00 25.00 H new ATOM 0 HD22 ASN A 7 9.882 -1.435 0.058 1.00 25.00 H new ATOM 113 N VAL A 8 12.168 -6.548 1.463 1.00 25.00 N ATOM 114 CA VAL A 8 12.089 -7.978 1.135 1.00 25.00 C ATOM 115 C VAL A 8 12.238 -8.744 2.444 1.00 25.00 C ATOM 116 O VAL A 8 12.718 -8.194 3.417 1.00 25.00 O ATOM 117 CB VAL A 8 13.196 -8.392 0.083 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.715 -7.169 -0.661 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.382 -9.105 0.728 1.00 25.00 C ATOM 0 H VAL A 8 13.100 -6.236 1.737 1.00 25.00 H new ATOM 0 HA VAL A 8 11.133 -8.213 0.666 1.00 25.00 H new ATOM 0 HB VAL A 8 12.713 -9.082 -0.609 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.475 -7.476 -1.379 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.891 -6.687 -1.188 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.150 -6.468 0.051 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.111 -9.366 -0.039 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.847 -8.446 1.461 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.036 -10.012 1.223 1.00 25.00 H new ATOM 129 N LEU A 9 11.845 -10.005 2.484 1.00 25.00 N ATOM 130 CA LEU A 9 11.995 -10.800 3.703 1.00 25.00 C ATOM 131 C LEU A 9 13.266 -11.641 3.624 1.00 25.00 C ATOM 132 O LEU A 9 13.638 -12.102 2.552 1.00 25.00 O ATOM 133 CB LEU A 9 10.779 -11.711 3.893 1.00 25.00 C ATOM 134 CG LEU A 9 9.423 -10.999 4.045 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.319 -12.045 4.185 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.399 -10.058 5.255 1.00 25.00 C ATOM 0 H LEU A 9 11.423 -10.502 1.699 1.00 25.00 H new ATOM 0 HA LEU A 9 12.067 -10.125 4.556 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.719 -12.387 3.040 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.945 -12.327 4.777 1.00 25.00 H new ATOM 0 HG LEU A 9 9.261 -10.392 3.155 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.356 -11.546 4.293 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.302 -12.677 3.297 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.510 -12.660 5.065 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.423 -9.577 5.323 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.586 -10.629 6.164 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.171 -9.297 5.140 1.00 25.00 H new ATOM 148 N ALA A 10 13.922 -11.859 4.754 1.00 25.00 N ATOM 149 CA ALA A 10 15.116 -12.704 4.801 1.00 25.00 C ATOM 150 C ALA A 10 15.097 -13.574 6.062 1.00 25.00 C ATOM 151 O ALA A 10 14.660 -13.118 7.112 1.00 25.00 O ATOM 152 CB ALA A 10 16.363 -11.835 4.769 1.00 25.00 C ATOM 0 H ALA A 10 13.651 -11.464 5.654 1.00 25.00 H new ATOM 0 HA ALA A 10 15.125 -13.361 3.931 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.249 -12.469 4.804 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.373 -11.247 3.851 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.362 -11.165 5.629 1.00 25.00 H new ATOM 158 N LYS A 11 15.578 -14.811 5.951 1.00 25.00 N ATOM 159 CA LYS A 11 15.631 -15.746 7.085 1.00 25.00 C ATOM 160 C LYS A 11 17.036 -15.874 7.652 1.00 25.00 C ATOM 161 O LYS A 11 18.001 -16.020 6.901 1.00 25.00 O ATOM 162 CB LYS A 11 15.159 -17.141 6.659 1.00 25.00 C ATOM 163 CG LYS A 11 15.306 -18.205 7.764 1.00 25.00 C ATOM 164 CD LYS A 11 14.499 -19.475 7.510 1.00 25.00 C ATOM 165 CE LYS A 11 13.017 -19.255 7.808 1.00 25.00 C ATOM 166 NZ LYS A 11 12.247 -20.540 7.932 1.00 25.00 N ATOM 0 H LYS A 11 15.941 -15.197 5.079 1.00 25.00 H new ATOM 0 HA LYS A 11 14.972 -15.339 7.852 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.113 -17.085 6.357 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.727 -17.457 5.784 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.359 -18.469 7.863 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.995 -17.773 8.715 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.622 -19.786 6.473 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.882 -20.283 8.133 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.918 -18.688 8.733 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.578 -18.650 7.015 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.249 -20.329 8.134 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.315 -21.073 7.041 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.644 -21.109 8.707 1.00 25.00 H new ATOM 180 N ALA A 12 17.136 -15.883 8.972 1.00 25.00 N ATOM 181 CA ALA A 12 18.401 -16.094 9.664 1.00 25.00 C ATOM 182 C ALA A 12 18.817 -17.567 9.575 1.00 25.00 C ATOM 183 O ALA A 12 18.051 -18.448 9.958 1.00 25.00 O ATOM 184 CB ALA A 12 18.235 -15.682 11.126 1.00 25.00 C ATOM 0 H ALA A 12 16.341 -15.744 9.596 1.00 25.00 H new ATOM 0 HA ALA A 12 19.179 -15.491 9.196 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.175 -15.835 11.656 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.956 -14.630 11.178 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.455 -16.287 11.588 1.00 25.00 H new ATOM 190 N LEU A 13 20.031 -17.840 9.113 1.00 25.00 N ATOM 191 CA LEU A 13 20.552 -19.212 9.093 1.00 25.00 C ATOM 192 C LEU A 13 21.281 -19.494 10.376 1.00 25.00 C ATOM 193 O LEU A 13 21.581 -20.637 10.687 1.00 25.00 O ATOM 194 CB LEU A 13 21.556 -19.417 7.962 1.00 25.00 C ATOM 195 CG LEU A 13 21.134 -19.308 6.499 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.697 -19.769 6.246 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.337 -17.912 5.994 1.00 25.00 C ATOM 0 H LEU A 13 20.674 -17.138 8.748 1.00 25.00 H new ATOM 0 HA LEU A 13 19.698 -19.876 8.956 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.360 -18.697 8.116 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.987 -20.409 8.096 1.00 25.00 H new ATOM 0 HG LEU A 13 21.777 -19.990 5.943 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.463 -19.665 5.187 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.593 -20.813 6.540 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.010 -19.157 6.831 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.030 -17.855 4.950 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.738 -17.220 6.586 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.390 -17.644 6.078 1.00 25.00 H new ATOM 209 N TYR A 14 21.593 -18.436 11.099 1.00 25.00 N ATOM 210 CA TYR A 14 22.320 -18.542 12.353 1.00 25.00 C ATOM 211 C TYR A 14 21.789 -17.510 13.316 1.00 25.00 C ATOM 212 O TYR A 14 21.284 -16.472 12.899 1.00 25.00 O ATOM 213 CB TYR A 14 23.809 -18.287 12.123 1.00 25.00 C ATOM 214 CG TYR A 14 24.428 -19.245 11.132 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.928 -20.496 11.552 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.503 -18.918 9.764 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.493 -21.401 10.620 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.050 -19.828 8.826 1.00 25.00 C ATOM 219 CZ TYR A 14 25.544 -21.061 9.265 1.00 25.00 C ATOM 220 OH TYR A 14 26.085 -21.940 8.362 1.00 25.00 O ATOM 0 H TYR A 14 21.351 -17.480 10.836 1.00 25.00 H new ATOM 0 HA TYR A 14 22.188 -19.545 12.760 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.946 -17.266 11.767 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.336 -18.366 13.074 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.879 -20.767 12.596 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.138 -17.960 9.425 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.883 -22.351 10.955 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.085 -19.571 7.778 1.00 25.00 H new ATOM 0 HH TYR A 14 26.043 -21.552 7.463 1.00 25.00 H new ATOM 230 N ASP A 15 21.929 -17.789 14.599 1.00 25.00 N ATOM 231 CA ASP A 15 21.606 -16.843 15.644 1.00 25.00 C ATOM 232 C ASP A 15 22.598 -15.693 15.551 1.00 25.00 C ATOM 233 O ASP A 15 23.725 -15.871 15.073 1.00 25.00 O ATOM 234 CB ASP A 15 21.746 -17.539 16.998 1.00 25.00 C ATOM 235 CG ASP A 15 20.882 -18.776 17.096 1.00 25.00 C ATOM 236 OD1 ASP A 15 19.723 -18.651 17.521 1.00 25.00 O ATOM 237 OD2 ASP A 15 21.312 -19.857 16.644 1.00 25.00 O ATOM 0 H ASP A 15 22.273 -18.685 14.944 1.00 25.00 H new ATOM 0 HA ASP A 15 20.587 -16.470 15.537 1.00 25.00 H new ATOM 0 HB2 ASP A 15 22.789 -17.813 17.158 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.474 -16.844 17.792 1.00 25.00 H new ATOM 242 N ASN A 16 22.197 -14.520 16.011 1.00 25.00 N ATOM 243 CA ASN A 16 23.083 -13.363 15.988 1.00 25.00 C ATOM 244 C ASN A 16 22.959 -12.573 17.268 1.00 25.00 C ATOM 245 O ASN A 16 21.858 -12.220 17.690 1.00 25.00 O ATOM 246 CB ASN A 16 22.772 -12.451 14.802 1.00 25.00 C ATOM 247 CG ASN A 16 23.908 -11.506 14.501 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.018 -11.946 14.234 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.656 -10.232 14.556 1.00 25.00 N ATOM 0 H ASN A 16 21.272 -14.342 16.402 1.00 25.00 H new ATOM 0 HA ASN A 16 24.103 -13.735 15.888 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.564 -13.059 13.922 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.870 -11.877 15.013 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.398 -9.557 14.373 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.716 -9.907 14.782 1.00 25.00 H new ATOM 256 N VAL A 17 24.095 -12.268 17.863 1.00 25.00 N ATOM 257 CA VAL A 17 24.154 -11.444 19.053 1.00 25.00 C ATOM 258 C VAL A 17 24.724 -10.138 18.556 1.00 25.00 C ATOM 259 O VAL A 17 25.747 -10.114 17.869 1.00 25.00 O ATOM 260 CB VAL A 17 25.048 -12.075 20.151 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.126 -11.162 21.383 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.484 -13.453 20.555 1.00 25.00 C ATOM 0 H VAL A 17 25.006 -12.586 17.533 1.00 25.00 H new ATOM 0 HA VAL A 17 23.179 -11.326 19.525 1.00 25.00 H new ATOM 0 HB VAL A 17 26.054 -12.197 19.749 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.759 -11.626 22.140 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.549 -10.199 21.096 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.125 -11.012 21.789 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.116 -13.893 21.327 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.471 -13.333 20.940 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.466 -14.108 19.684 1.00 25.00 H new ATOM 272 N ALA A 18 24.002 -9.069 18.829 1.00 25.00 N ATOM 273 CA ALA A 18 24.387 -7.748 18.382 1.00 25.00 C ATOM 274 C ALA A 18 25.550 -7.258 19.242 1.00 25.00 C ATOM 275 O ALA A 18 25.470 -7.279 20.468 1.00 25.00 O ATOM 276 CB ALA A 18 23.198 -6.809 18.496 1.00 25.00 C ATOM 0 H ALA A 18 23.135 -9.093 19.365 1.00 25.00 H new ATOM 0 HA ALA A 18 24.703 -7.776 17.339 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.487 -5.813 18.159 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.382 -7.179 17.876 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.871 -6.760 19.535 1.00 25.00 H new ATOM 282 N GLU A 19 26.626 -6.846 18.592 1.00 25.00 N ATOM 283 CA GLU A 19 27.819 -6.353 19.289 1.00 25.00 C ATOM 284 C GLU A 19 27.911 -4.842 19.112 1.00 25.00 C ATOM 285 O GLU A 19 28.536 -4.136 19.895 1.00 25.00 O ATOM 286 CB GLU A 19 29.067 -7.041 18.727 1.00 25.00 C ATOM 287 CG GLU A 19 29.064 -8.547 18.971 1.00 25.00 C ATOM 288 CD GLU A 19 30.281 -9.247 18.385 1.00 25.00 C ATOM 289 OE1 GLU A 19 31.413 -8.980 18.821 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.089 -10.075 17.458 1.00 25.00 O ATOM 0 H GLU A 19 26.705 -6.841 17.575 1.00 25.00 H new ATOM 0 HA GLU A 19 27.750 -6.582 20.352 1.00 25.00 H new ATOM 0 HB2 GLU A 19 29.132 -6.850 17.656 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.955 -6.604 19.183 1.00 25.00 H new ATOM 0 HG2 GLU A 19 29.025 -8.736 20.044 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.161 -8.978 18.539 1.00 25.00 H new ATOM 297 N SER A 20 27.229 -4.357 18.087 1.00 25.00 N ATOM 298 CA SER A 20 27.129 -2.928 17.802 1.00 25.00 C ATOM 299 C SER A 20 25.725 -2.477 18.185 1.00 25.00 C ATOM 300 O SER A 20 24.770 -3.241 18.044 1.00 25.00 O ATOM 301 CB SER A 20 27.371 -2.684 16.309 1.00 25.00 C ATOM 302 OG SER A 20 27.038 -1.358 15.933 1.00 25.00 O ATOM 0 H SER A 20 26.725 -4.945 17.423 1.00 25.00 H new ATOM 0 HA SER A 20 27.874 -2.368 18.368 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.418 -2.877 16.074 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.778 -3.388 15.725 1.00 25.00 H new ATOM 0 HG SER A 20 27.206 -1.238 14.975 1.00 25.00 H new ATOM 308 N PRO A 21 25.566 -1.223 18.645 1.00 25.00 N ATOM 309 CA PRO A 21 24.225 -0.737 18.997 1.00 25.00 C ATOM 310 C PRO A 21 23.302 -0.558 17.788 1.00 25.00 C ATOM 311 O PRO A 21 22.081 -0.416 17.945 1.00 25.00 O ATOM 312 CB PRO A 21 24.522 0.606 19.669 1.00 25.00 C ATOM 313 CG PRO A 21 25.789 1.055 19.026 1.00 25.00 C ATOM 314 CD PRO A 21 26.591 -0.186 18.883 1.00 25.00 C ATOM 0 HA PRO A 21 23.687 -1.445 19.627 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.716 1.321 19.506 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.638 0.496 20.747 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.600 1.520 18.058 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.306 1.793 19.639 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.295 -0.117 18.054 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.174 -0.394 19.780 1.00 25.00 H new ATOM 322 N ASP A 22 23.880 -0.591 16.593 1.00 25.00 N ATOM 323 CA ASP A 22 23.128 -0.473 15.352 1.00 25.00 C ATOM 324 C ASP A 22 22.841 -1.848 14.787 1.00 25.00 C ATOM 325 O ASP A 22 22.217 -1.960 13.761 1.00 25.00 O ATOM 326 CB ASP A 22 23.937 0.315 14.314 1.00 25.00 C ATOM 327 CG ASP A 22 23.745 1.807 14.442 1.00 25.00 C ATOM 328 OD1 ASP A 22 24.742 2.519 14.659 1.00 25.00 O ATOM 329 OD2 ASP A 22 22.590 2.269 14.313 1.00 25.00 O ATOM 0 H ASP A 22 24.885 -0.701 16.458 1.00 25.00 H new ATOM 0 HA ASP A 22 22.194 0.047 15.568 1.00 25.00 H new ATOM 0 HB2 ASP A 22 24.995 0.077 14.426 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.643 -0.001 13.313 1.00 25.00 H new ATOM 334 N GLU A 23 23.324 -2.898 15.429 1.00 25.00 N ATOM 335 CA GLU A 23 23.150 -4.254 14.915 1.00 25.00 C ATOM 336 C GLU A 23 21.910 -4.906 15.529 1.00 25.00 C ATOM 337 O GLU A 23 21.568 -4.657 16.685 1.00 25.00 O ATOM 338 CB GLU A 23 24.408 -5.085 15.213 1.00 25.00 C ATOM 339 CG GLU A 23 24.421 -6.454 14.548 1.00 25.00 C ATOM 340 CD GLU A 23 25.680 -7.250 14.838 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.846 -8.320 14.208 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.484 -6.860 15.719 1.00 25.00 O ATOM 0 H GLU A 23 23.840 -2.842 16.307 1.00 25.00 H new ATOM 0 HA GLU A 23 23.005 -4.210 13.836 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.285 -4.526 14.887 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.497 -5.216 16.291 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.554 -7.022 14.885 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.319 -6.328 13.470 1.00 25.00 H new ATOM 349 N LEU A 24 21.239 -5.754 14.762 1.00 25.00 N ATOM 350 CA LEU A 24 20.094 -6.498 15.277 1.00 25.00 C ATOM 351 C LEU A 24 20.523 -7.827 15.863 1.00 25.00 C ATOM 352 O LEU A 24 21.389 -8.518 15.326 1.00 25.00 O ATOM 353 CB LEU A 24 19.069 -6.776 14.179 1.00 25.00 C ATOM 354 CG LEU A 24 18.299 -5.559 13.658 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.360 -5.989 12.542 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.508 -4.897 14.787 1.00 25.00 C ATOM 0 H LEU A 24 21.465 -5.945 13.786 1.00 25.00 H new ATOM 0 HA LEU A 24 19.645 -5.876 16.052 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.583 -7.243 13.339 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.349 -7.503 14.556 1.00 25.00 H new ATOM 0 HG LEU A 24 19.012 -4.832 13.269 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.813 -5.122 12.172 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.938 -6.427 11.728 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.655 -6.727 12.924 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.968 -4.035 14.396 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.798 -5.612 15.202 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.194 -4.572 15.569 1.00 25.00 H new ATOM 368 N SER A 25 19.847 -8.217 16.928 1.00 25.00 N ATOM 369 CA SER A 25 20.059 -9.513 17.542 1.00 25.00 C ATOM 370 C SER A 25 18.812 -10.315 17.249 1.00 25.00 C ATOM 371 O SER A 25 17.696 -9.807 17.359 1.00 25.00 O ATOM 372 CB SER A 25 20.286 -9.384 19.048 1.00 25.00 C ATOM 373 OG SER A 25 20.575 -10.645 19.630 1.00 25.00 O ATOM 0 H SER A 25 19.139 -7.646 17.389 1.00 25.00 H new ATOM 0 HA SER A 25 20.950 -9.998 17.144 1.00 25.00 H new ATOM 0 HB2 SER A 25 21.109 -8.695 19.237 1.00 25.00 H new ATOM 0 HB3 SER A 25 19.399 -8.958 19.518 1.00 25.00 H new ATOM 0 HG SER A 25 21.023 -11.215 18.970 1.00 25.00 H new ATOM 379 N PHE A 26 19.016 -11.545 16.818 1.00 25.00 N ATOM 380 CA PHE A 26 17.922 -12.428 16.415 1.00 25.00 C ATOM 381 C PHE A 26 18.312 -13.897 16.528 1.00 25.00 C ATOM 382 O PHE A 26 19.468 -14.240 16.783 1.00 25.00 O ATOM 383 CB PHE A 26 17.484 -12.114 14.983 1.00 25.00 C ATOM 384 CG PHE A 26 18.601 -12.097 13.995 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.142 -13.294 13.494 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.106 -10.873 13.534 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.173 -13.268 12.529 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.122 -10.836 12.577 1.00 25.00 C ATOM 389 CZ PHE A 26 20.654 -12.045 12.062 1.00 25.00 C ATOM 0 H PHE A 26 19.941 -11.966 16.735 1.00 25.00 H new ATOM 0 HA PHE A 26 17.089 -12.248 17.095 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.747 -12.853 14.669 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.987 -11.144 14.971 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.766 -14.242 13.850 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.705 -9.949 13.923 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.588 -14.192 12.154 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.502 -9.887 12.229 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.429 -12.019 11.310 1.00 25.00 H new ATOM 399 N ARG A 27 17.321 -14.754 16.345 1.00 25.00 N ATOM 400 CA ARG A 27 17.447 -16.196 16.505 1.00 25.00 C ATOM 401 C ARG A 27 17.454 -16.866 15.133 1.00 25.00 C ATOM 402 O ARG A 27 16.869 -16.380 14.173 1.00 25.00 O ATOM 403 CB ARG A 27 16.248 -16.634 17.388 1.00 25.00 C ATOM 404 CG ARG A 27 15.682 -18.040 17.204 1.00 25.00 C ATOM 405 CD ARG A 27 16.618 -19.054 17.780 1.00 25.00 C ATOM 406 NE ARG A 27 16.203 -20.437 17.518 1.00 25.00 N ATOM 407 CZ ARG A 27 17.015 -21.488 17.552 1.00 25.00 C ATOM 408 NH1 ARG A 27 18.299 -21.375 17.805 1.00 25.00 N ATOM 409 NH2 ARG A 27 16.526 -22.676 17.320 1.00 25.00 N ATOM 0 H ARG A 27 16.383 -14.460 16.074 1.00 25.00 H new ATOM 0 HA ARG A 27 18.380 -16.490 16.985 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.550 -16.532 18.430 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.437 -15.926 17.220 1.00 25.00 H new ATOM 0 HG2 ARG A 27 14.709 -18.115 17.690 1.00 25.00 H new ATOM 0 HG3 ARG A 27 15.525 -18.241 16.144 1.00 25.00 H new ATOM 0 HD2 ARG A 27 17.614 -18.896 17.367 1.00 25.00 H new ATOM 0 HD3 ARG A 27 16.692 -18.901 18.857 1.00 25.00 H new ATOM 0 HE ARG A 27 15.222 -20.603 17.294 1.00 25.00 H new ATOM 0 HH11 ARG A 27 18.705 -20.456 17.984 1.00 25.00 H new ATOM 0 HH12 ARG A 27 18.890 -22.206 17.822 1.00 25.00 H new ATOM 0 HH21 ARG A 27 15.533 -22.788 17.116 1.00 25.00 H new ATOM 0 HH22 ARG A 27 17.137 -23.492 17.343 1.00 25.00 H new ATOM 423 N LYS A 28 18.138 -17.993 15.052 1.00 25.00 N ATOM 424 CA LYS A 28 18.183 -18.803 13.835 1.00 25.00 C ATOM 425 C LYS A 28 16.772 -19.216 13.439 1.00 25.00 C ATOM 426 O LYS A 28 16.045 -19.820 14.223 1.00 25.00 O ATOM 427 CB LYS A 28 19.042 -20.033 14.119 1.00 25.00 C ATOM 428 CG LYS A 28 19.193 -21.022 12.988 1.00 25.00 C ATOM 429 CD LYS A 28 20.364 -21.944 13.334 1.00 25.00 C ATOM 430 CE LYS A 28 20.616 -23.046 12.316 1.00 25.00 C ATOM 431 NZ LYS A 28 22.102 -23.273 12.227 1.00 25.00 N ATOM 0 H LYS A 28 18.680 -18.378 15.825 1.00 25.00 H new ATOM 0 HA LYS A 28 18.613 -18.234 13.010 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.036 -19.695 14.412 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.617 -20.556 14.976 1.00 25.00 H new ATOM 0 HG2 LYS A 28 18.277 -21.598 12.858 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.379 -20.503 12.048 1.00 25.00 H new ATOM 0 HD2 LYS A 28 21.268 -21.343 13.432 1.00 25.00 H new ATOM 0 HD3 LYS A 28 20.177 -22.400 14.306 1.00 25.00 H new ATOM 0 HE2 LYS A 28 20.109 -23.963 12.615 1.00 25.00 H new ATOM 0 HE3 LYS A 28 20.216 -22.763 11.342 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 22.286 -24.198 11.788 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 22.534 -22.523 11.650 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 22.514 -23.255 13.182 1.00 25.00 H new ATOM 445 N GLY A 29 16.401 -18.879 12.214 1.00 25.00 N ATOM 446 CA GLY A 29 15.071 -19.166 11.705 1.00 25.00 C ATOM 447 C GLY A 29 14.170 -17.945 11.675 1.00 25.00 C ATOM 448 O GLY A 29 13.092 -18.006 11.078 1.00 25.00 O ATOM 0 H GLY A 29 17.010 -18.402 11.549 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.154 -19.574 10.698 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.610 -19.936 12.324 1.00 25.00 H new ATOM 452 N ASP A 30 14.602 -16.847 12.282 1.00 25.00 N ATOM 453 CA ASP A 30 13.791 -15.624 12.345 1.00 25.00 C ATOM 454 C ASP A 30 13.691 -14.993 10.974 1.00 25.00 C ATOM 455 O ASP A 30 14.545 -15.226 10.115 1.00 25.00 O ATOM 456 CB ASP A 30 14.413 -14.581 13.285 1.00 25.00 C ATOM 457 CG ASP A 30 14.217 -14.914 14.754 1.00 25.00 C ATOM 458 OD1 ASP A 30 14.674 -14.108 15.595 1.00 25.00 O ATOM 459 OD2 ASP A 30 13.625 -15.965 15.077 1.00 25.00 O ATOM 0 H ASP A 30 15.510 -16.772 12.740 1.00 25.00 H new ATOM 0 HA ASP A 30 12.808 -15.915 12.717 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.480 -14.501 13.075 1.00 25.00 H new ATOM 0 HB3 ASP A 30 13.974 -13.605 13.078 1.00 25.00 H new ATOM 464 N ILE A 31 12.675 -14.163 10.789 1.00 25.00 N ATOM 465 CA ILE A 31 12.472 -13.436 9.540 1.00 25.00 C ATOM 466 C ILE A 31 12.555 -11.945 9.832 1.00 25.00 C ATOM 467 O ILE A 31 11.857 -11.447 10.710 1.00 25.00 O ATOM 468 CB ILE A 31 11.075 -13.728 8.918 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.894 -15.235 8.647 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.886 -12.924 7.607 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.946 -15.870 7.750 1.00 25.00 C ATOM 0 H ILE A 31 11.967 -13.973 11.499 1.00 25.00 H new ATOM 0 HA ILE A 31 13.238 -13.756 8.834 1.00 25.00 H new ATOM 0 HB ILE A 31 10.316 -13.416 9.636 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.891 -15.760 9.602 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.914 -15.390 8.195 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.904 -13.140 7.186 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.963 -11.858 7.820 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.658 -13.208 6.892 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.725 -16.930 7.624 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.938 -15.380 6.777 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.930 -15.756 8.206 1.00 25.00 H new ATOM 483 N MET A 32 13.375 -11.234 9.074 1.00 25.00 N ATOM 484 CA MET A 32 13.479 -9.784 9.192 1.00 25.00 C ATOM 485 C MET A 32 13.265 -9.158 7.831 1.00 25.00 C ATOM 486 O MET A 32 13.461 -9.803 6.798 1.00 25.00 O ATOM 487 CB MET A 32 14.837 -9.372 9.761 1.00 25.00 C ATOM 488 CG MET A 32 16.033 -9.924 9.015 1.00 25.00 C ATOM 489 SD MET A 32 17.322 -10.384 10.184 1.00 25.00 S ATOM 490 CE MET A 32 16.607 -11.909 10.917 1.00 25.00 C ATOM 0 H MET A 32 13.984 -11.640 8.364 1.00 25.00 H new ATOM 0 HA MET A 32 12.713 -9.431 9.882 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.899 -8.284 9.763 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.893 -9.697 10.800 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.737 -10.792 8.426 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.413 -9.179 8.316 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.631 -11.836 12.004 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.576 -12.024 10.584 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.190 -12.773 10.599 1.00 25.00 H new ATOM 500 N THR A 33 12.840 -7.908 7.842 1.00 25.00 N ATOM 501 CA THR A 33 12.573 -7.168 6.610 1.00 25.00 C ATOM 502 C THR A 33 13.831 -6.443 6.167 1.00 25.00 C ATOM 503 O THR A 33 14.271 -5.538 6.845 1.00 25.00 O ATOM 504 CB THR A 33 11.469 -6.116 6.835 1.00 25.00 C ATOM 505 OG1 THR A 33 10.277 -6.770 7.276 1.00 25.00 O ATOM 506 CG2 THR A 33 11.163 -5.357 5.563 1.00 25.00 C ATOM 0 H THR A 33 12.669 -7.375 8.695 1.00 25.00 H new ATOM 0 HA THR A 33 12.251 -7.881 5.850 1.00 25.00 H new ATOM 0 HB THR A 33 11.823 -5.410 7.586 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.573 -6.104 7.422 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.380 -4.623 5.756 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.062 -4.846 5.219 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.825 -6.054 4.796 1.00 25.00 H new ATOM 514 N VAL A 34 14.410 -6.838 5.045 1.00 25.00 N ATOM 515 CA VAL A 34 15.612 -6.196 4.519 1.00 25.00 C ATOM 516 C VAL A 34 15.220 -4.905 3.840 1.00 25.00 C ATOM 517 O VAL A 34 14.411 -4.892 2.911 1.00 25.00 O ATOM 518 CB VAL A 34 16.343 -7.082 3.494 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.670 -6.446 3.052 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.597 -8.452 4.089 1.00 25.00 C ATOM 0 H VAL A 34 14.065 -7.609 4.473 1.00 25.00 H new ATOM 0 HA VAL A 34 16.286 -6.018 5.357 1.00 25.00 H new ATOM 0 HB VAL A 34 15.708 -7.179 2.614 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.162 -7.096 2.328 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.474 -5.476 2.594 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.317 -6.314 3.919 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.115 -9.075 3.360 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.213 -8.352 4.983 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.647 -8.916 4.353 1.00 25.00 H new ATOM 530 N LEU A 35 15.787 -3.821 4.323 1.00 25.00 N ATOM 531 CA LEU A 35 15.497 -2.497 3.821 1.00 25.00 C ATOM 532 C LEU A 35 16.531 -2.103 2.789 1.00 25.00 C ATOM 533 O LEU A 35 16.180 -1.668 1.708 1.00 25.00 O ATOM 534 CB LEU A 35 15.503 -1.520 4.986 1.00 25.00 C ATOM 535 CG LEU A 35 14.447 -1.828 6.055 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.707 -0.953 7.235 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.027 -1.616 5.536 1.00 25.00 C ATOM 0 H LEU A 35 16.468 -3.835 5.082 1.00 25.00 H new ATOM 0 HA LEU A 35 14.517 -2.483 3.345 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.489 -1.527 5.450 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.338 -0.512 4.604 1.00 25.00 H new ATOM 0 HG LEU A 35 14.523 -2.879 6.334 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.966 -1.156 8.009 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.704 -1.156 7.625 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.641 0.093 6.934 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.313 -1.846 6.326 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.904 -0.578 5.226 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.849 -2.272 4.684 1.00 25.00 H new ATOM 549 N GLU A 36 17.800 -2.330 3.078 1.00 25.00 N ATOM 550 CA GLU A 36 18.845 -2.112 2.077 1.00 25.00 C ATOM 551 C GLU A 36 20.031 -3.011 2.377 1.00 25.00 C ATOM 552 O GLU A 36 20.046 -3.695 3.395 1.00 25.00 O ATOM 553 CB GLU A 36 19.247 -0.632 1.985 1.00 25.00 C ATOM 554 CG GLU A 36 20.160 -0.099 3.019 1.00 25.00 C ATOM 555 CD GLU A 36 20.316 1.418 2.918 1.00 25.00 C ATOM 556 OE1 GLU A 36 21.016 2.000 3.773 1.00 25.00 O ATOM 557 OE2 GLU A 36 19.716 2.028 2.007 1.00 25.00 O ATOM 0 H GLU A 36 18.135 -2.661 3.983 1.00 25.00 H new ATOM 0 HA GLU A 36 18.452 -2.377 1.095 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.712 -0.471 1.013 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.335 -0.036 2.004 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.780 -0.359 4.007 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.137 -0.571 2.918 1.00 25.00 H new ATOM 564 N ARG A 37 21.011 -3.036 1.489 1.00 25.00 N ATOM 565 CA ARG A 37 22.194 -3.867 1.668 1.00 25.00 C ATOM 566 C ARG A 37 23.380 -2.967 1.473 1.00 25.00 C ATOM 567 O ARG A 37 23.263 -1.987 0.747 1.00 25.00 O ATOM 568 CB ARG A 37 22.244 -4.978 0.628 1.00 25.00 C ATOM 569 CG ARG A 37 21.029 -5.896 0.633 1.00 25.00 C ATOM 570 CD ARG A 37 21.285 -7.107 -0.245 1.00 25.00 C ATOM 571 NE ARG A 37 21.774 -6.704 -1.576 1.00 25.00 N ATOM 572 CZ ARG A 37 22.155 -7.530 -2.540 1.00 25.00 C ATOM 573 NH1 ARG A 37 22.101 -8.833 -2.407 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.602 -7.032 -3.658 1.00 25.00 N ATOM 0 H ARG A 37 21.012 -2.486 0.630 1.00 25.00 H new ATOM 0 HA ARG A 37 22.183 -4.331 2.654 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.342 -4.530 -0.361 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.139 -5.578 0.797 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.810 -6.216 1.652 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.154 -5.355 0.273 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.017 -7.758 0.233 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.366 -7.684 -0.351 1.00 25.00 H new ATOM 0 HE ARG A 37 21.823 -5.704 -1.772 1.00 25.00 H new ATOM 0 HH11 ARG A 37 21.757 -9.243 -1.539 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.403 -9.437 -3.172 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.655 -6.021 -3.781 1.00 25.00 H new ATOM 0 HH22 ARG A 37 22.899 -7.653 -4.410 1.00 25.00 H new ATOM 588 N ASP A 38 24.482 -3.306 2.126 1.00 25.00 N ATOM 589 CA ASP A 38 25.740 -2.560 2.037 1.00 25.00 C ATOM 590 C ASP A 38 25.464 -1.126 2.508 1.00 25.00 C ATOM 591 O ASP A 38 25.987 -0.127 2.012 1.00 25.00 O ATOM 592 CB ASP A 38 26.307 -2.701 0.621 1.00 25.00 C ATOM 593 CG ASP A 38 26.308 -4.165 0.159 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.637 -4.479 -0.860 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.825 -5.034 0.914 1.00 25.00 O ATOM 0 H ASP A 38 24.534 -4.117 2.742 1.00 25.00 H new ATOM 0 HA ASP A 38 26.522 -2.950 2.688 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.716 -2.101 -0.070 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.324 -2.309 0.594 1.00 25.00 H new ATOM 600 N THR A 39 24.570 -1.078 3.487 1.00 25.00 N ATOM 601 CA THR A 39 24.070 0.158 4.078 1.00 25.00 C ATOM 602 C THR A 39 25.185 0.925 4.762 1.00 25.00 C ATOM 603 O THR A 39 26.084 0.335 5.326 1.00 25.00 O ATOM 604 CB THR A 39 22.959 -0.164 5.109 1.00 25.00 C ATOM 605 OG1 THR A 39 22.511 1.030 5.750 1.00 25.00 O ATOM 606 CG2 THR A 39 23.403 -1.138 6.145 1.00 25.00 C ATOM 0 H THR A 39 24.163 -1.916 3.902 1.00 25.00 H new ATOM 0 HA THR A 39 23.664 0.776 3.278 1.00 25.00 H new ATOM 0 HB THR A 39 22.141 -0.619 4.550 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.854 1.481 5.179 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.586 -1.327 6.841 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.694 -2.072 5.665 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.254 -0.728 6.688 1.00 25.00 H new ATOM 614 N GLN A 40 25.121 2.248 4.686 1.00 25.00 N ATOM 615 CA GLN A 40 26.126 3.154 5.265 1.00 25.00 C ATOM 616 C GLN A 40 27.548 2.904 4.731 1.00 25.00 C ATOM 617 O GLN A 40 28.521 3.371 5.313 1.00 25.00 O ATOM 618 CB GLN A 40 26.118 3.091 6.805 1.00 25.00 C ATOM 619 CG GLN A 40 24.727 2.979 7.421 1.00 25.00 C ATOM 620 CD GLN A 40 24.702 3.397 8.875 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.832 4.567 9.192 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.513 2.452 9.759 1.00 25.00 N ATOM 0 H GLN A 40 24.360 2.737 4.215 1.00 25.00 H new ATOM 0 HA GLN A 40 25.838 4.156 4.948 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.714 2.237 7.125 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.605 3.984 7.196 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.032 3.600 6.856 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.377 1.950 7.336 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.408 1.484 9.456 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.470 2.683 10.752 1.00 25.00 H new ATOM 631 N GLY A 41 27.662 2.164 3.633 1.00 25.00 N ATOM 632 CA GLY A 41 28.966 1.829 3.079 1.00 25.00 C ATOM 633 C GLY A 41 29.582 0.645 3.800 1.00 25.00 C ATOM 634 O GLY A 41 30.771 0.368 3.660 1.00 25.00 O ATOM 0 H GLY A 41 26.870 1.787 3.112 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.865 1.599 2.018 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.629 2.691 3.157 1.00 25.00 H new ATOM 638 N LEU A 42 28.778 -0.048 4.595 1.00 25.00 N ATOM 639 CA LEU A 42 29.236 -1.190 5.353 1.00 25.00 C ATOM 640 C LEU A 42 29.011 -2.427 4.502 1.00 25.00 C ATOM 641 O LEU A 42 27.954 -3.051 4.553 1.00 25.00 O ATOM 642 CB LEU A 42 28.455 -1.280 6.660 1.00 25.00 C ATOM 643 CG LEU A 42 28.516 -0.053 7.571 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.445 -0.177 8.624 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.869 0.066 8.236 1.00 25.00 C ATOM 0 H LEU A 42 27.791 0.171 4.728 1.00 25.00 H new ATOM 0 HA LEU A 42 30.294 -1.100 5.600 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.410 -1.477 6.421 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.822 -2.140 7.220 1.00 25.00 H new ATOM 0 HG LEU A 42 28.356 0.841 6.969 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.478 0.692 9.281 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.468 -0.233 8.144 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.614 -1.081 9.210 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.883 0.947 8.877 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.058 -0.823 8.837 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.642 0.160 7.473 1.00 25.00 H new ATOM 657 N ASP A 43 29.989 -2.752 3.680 1.00 25.00 N ATOM 658 CA ASP A 43 29.875 -3.894 2.771 1.00 25.00 C ATOM 659 C ASP A 43 29.555 -5.165 3.547 1.00 25.00 C ATOM 660 O ASP A 43 30.196 -5.489 4.554 1.00 25.00 O ATOM 661 CB ASP A 43 31.173 -4.110 1.989 1.00 25.00 C ATOM 662 CG ASP A 43 31.156 -3.444 0.620 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.390 -2.481 0.417 1.00 25.00 O ATOM 664 OD2 ASP A 43 31.911 -3.909 -0.263 1.00 25.00 O ATOM 0 H ASP A 43 30.873 -2.248 3.617 1.00 25.00 H new ATOM 0 HA ASP A 43 29.068 -3.673 2.072 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.010 -3.719 2.568 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.343 -5.179 1.865 1.00 25.00 H new ATOM 669 N GLY A 44 28.543 -5.882 3.085 1.00 25.00 N ATOM 670 CA GLY A 44 28.143 -7.118 3.731 1.00 25.00 C ATOM 671 C GLY A 44 27.131 -6.933 4.847 1.00 25.00 C ATOM 672 O GLY A 44 26.501 -7.908 5.259 1.00 25.00 O ATOM 0 H GLY A 44 27.987 -5.629 2.268 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.723 -7.788 2.981 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.029 -7.608 4.135 1.00 25.00 H new ATOM 676 N TRP A 45 26.941 -5.714 5.335 1.00 25.00 N ATOM 677 CA TRP A 45 25.948 -5.440 6.354 1.00 25.00 C ATOM 678 C TRP A 45 24.643 -5.057 5.670 1.00 25.00 C ATOM 679 O TRP A 45 24.622 -4.231 4.770 1.00 25.00 O ATOM 680 CB TRP A 45 26.456 -4.297 7.221 1.00 25.00 C ATOM 681 CG TRP A 45 27.533 -4.741 8.168 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.871 -4.535 8.061 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.359 -5.472 9.391 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.548 -5.056 9.122 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.650 -5.660 9.961 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.239 -5.977 10.070 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.839 -6.347 11.178 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.422 -6.645 11.295 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.719 -6.830 11.833 1.00 25.00 C ATOM 0 H TRP A 45 27.470 -4.895 5.035 1.00 25.00 H new ATOM 0 HA TRP A 45 25.774 -6.315 6.981 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.841 -3.502 6.582 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.626 -3.877 7.789 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.341 -4.021 7.236 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.556 -5.005 9.267 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.249 -5.854 9.657 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.828 -6.492 11.587 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.563 -7.021 11.831 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.836 -7.356 12.769 1.00 25.00 H new ATOM 700 N TRP A 46 23.549 -5.686 6.066 1.00 25.00 N ATOM 701 CA TRP A 46 22.249 -5.431 5.450 1.00 25.00 C ATOM 702 C TRP A 46 21.344 -4.772 6.475 1.00 25.00 C ATOM 703 O TRP A 46 21.167 -5.293 7.568 1.00 25.00 O ATOM 704 CB TRP A 46 21.626 -6.744 4.948 1.00 25.00 C ATOM 705 CG TRP A 46 22.441 -7.444 3.863 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.579 -6.999 3.259 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.182 -8.734 3.263 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.050 -7.884 2.343 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.226 -8.975 2.319 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.176 -9.714 3.425 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.289 -10.153 1.546 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.250 -10.907 2.662 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.302 -11.108 1.727 1.00 25.00 C ATOM 0 H TRP A 46 23.531 -6.380 6.813 1.00 25.00 H new ATOM 0 HA TRP A 46 22.373 -4.770 4.593 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.506 -7.423 5.792 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.628 -6.536 4.561 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.051 -6.054 3.483 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.882 -7.756 1.767 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.364 -9.556 4.119 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.085 -10.306 0.832 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.499 -11.672 2.793 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.332 -12.020 1.149 1.00 25.00 H new ATOM 724 N LEU A 47 20.784 -3.625 6.128 1.00 25.00 N ATOM 725 CA LEU A 47 19.868 -2.916 7.013 1.00 25.00 C ATOM 726 C LEU A 47 18.570 -3.677 7.006 1.00 25.00 C ATOM 727 O LEU A 47 17.984 -3.882 5.950 1.00 25.00 O ATOM 728 CB LEU A 47 19.620 -1.497 6.501 1.00 25.00 C ATOM 729 CG LEU A 47 18.646 -0.629 7.306 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.076 -0.484 8.755 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.529 0.744 6.654 1.00 25.00 C ATOM 0 H LEU A 47 20.948 -3.161 5.235 1.00 25.00 H new ATOM 0 HA LEU A 47 20.288 -2.848 8.016 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.579 -0.980 6.457 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.248 -1.565 5.479 1.00 25.00 H new ATOM 0 HG LEU A 47 17.675 -1.125 7.304 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.357 0.139 9.287 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.120 -1.468 9.222 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.061 -0.018 8.797 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.836 1.361 7.227 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.509 1.222 6.633 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.158 0.633 5.635 1.00 25.00 H new ATOM 743 N CYS A 48 18.121 -4.107 8.169 1.00 25.00 N ATOM 744 CA CYS A 48 16.874 -4.833 8.279 1.00 25.00 C ATOM 745 C CYS A 48 16.053 -4.313 9.438 1.00 25.00 C ATOM 746 O CYS A 48 16.531 -3.527 10.252 1.00 25.00 O ATOM 747 CB CYS A 48 17.144 -6.337 8.455 1.00 25.00 C ATOM 748 SG CYS A 48 18.316 -7.028 7.255 1.00 25.00 S ATOM 0 H CYS A 48 18.606 -3.964 9.055 1.00 25.00 H new ATOM 0 HA CYS A 48 16.309 -4.682 7.359 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.526 -6.511 9.461 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.200 -6.876 8.375 1.00 25.00 H new ATOM 0 HG CYS A 48 19.451 -6.401 7.347 1.00 25.00 H new ATOM 754 N SER A 49 14.815 -4.762 9.505 1.00 25.00 N ATOM 755 CA SER A 49 13.906 -4.398 10.573 1.00 25.00 C ATOM 756 C SER A 49 13.332 -5.679 11.166 1.00 25.00 C ATOM 757 O SER A 49 12.914 -6.591 10.441 1.00 25.00 O ATOM 758 CB SER A 49 12.822 -3.471 10.024 1.00 25.00 C ATOM 759 OG SER A 49 11.560 -4.107 9.931 1.00 25.00 O ATOM 0 H SER A 49 14.409 -5.394 8.815 1.00 25.00 H new ATOM 0 HA SER A 49 14.420 -3.854 11.366 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.737 -2.595 10.668 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.119 -3.114 9.038 1.00 25.00 H new ATOM 0 HG SER A 49 10.900 -3.475 9.577 1.00 25.00 H new ATOM 765 N LEU A 50 13.393 -5.772 12.486 1.00 25.00 N ATOM 766 CA LEU A 50 12.954 -6.951 13.222 1.00 25.00 C ATOM 767 C LEU A 50 12.408 -6.489 14.563 1.00 25.00 C ATOM 768 O LEU A 50 13.032 -5.670 15.224 1.00 25.00 O ATOM 769 CB LEU A 50 14.144 -7.882 13.455 1.00 25.00 C ATOM 770 CG LEU A 50 13.828 -9.186 14.194 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.923 -10.360 13.275 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.775 -9.341 15.369 1.00 25.00 C ATOM 0 H LEU A 50 13.751 -5.026 13.082 1.00 25.00 H new ATOM 0 HA LEU A 50 12.189 -7.486 12.659 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.583 -8.130 12.489 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.902 -7.339 14.020 1.00 25.00 H new ATOM 0 HG LEU A 50 12.804 -9.144 14.564 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.694 -11.272 13.825 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.212 -10.241 12.458 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.933 -10.424 12.870 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.552 -10.268 15.896 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.803 -9.368 15.007 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.652 -8.498 16.049 1.00 25.00 H new ATOM 784 N HIS A 51 11.231 -6.982 14.935 1.00 25.00 N ATOM 785 CA HIS A 51 10.579 -6.645 16.215 1.00 25.00 C ATOM 786 C HIS A 51 10.414 -5.127 16.413 1.00 25.00 C ATOM 787 O HIS A 51 10.448 -4.633 17.533 1.00 25.00 O ATOM 788 CB HIS A 51 11.372 -7.236 17.399 1.00 25.00 C ATOM 789 CG HIS A 51 11.550 -8.724 17.329 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.491 -9.424 18.043 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.883 -9.671 16.612 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.370 -10.715 17.743 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.400 -10.922 16.877 1.00 25.00 N ATOM 0 H HIS A 51 10.693 -7.631 14.361 1.00 25.00 H new ATOM 0 HA HIS A 51 9.582 -7.085 16.181 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.354 -6.764 17.438 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.860 -6.984 18.328 1.00 25.00 H new ATOM 0 HD2 HIS A 51 10.067 -9.471 15.934 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.990 -11.496 18.158 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.097 -11.814 16.487 1.00 25.00 H new ATOM 801 N GLY A 52 10.243 -4.393 15.321 1.00 25.00 N ATOM 802 CA GLY A 52 10.072 -2.948 15.409 1.00 25.00 C ATOM 803 C GLY A 52 11.363 -2.174 15.639 1.00 25.00 C ATOM 804 O GLY A 52 11.326 -0.978 15.914 1.00 25.00 O ATOM 0 H GLY A 52 10.219 -4.769 14.373 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.609 -2.593 14.489 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.380 -2.725 16.221 1.00 25.00 H new ATOM 808 N ARG A 53 12.507 -2.836 15.511 1.00 25.00 N ATOM 809 CA ARG A 53 13.808 -2.201 15.694 1.00 25.00 C ATOM 810 C ARG A 53 14.492 -2.319 14.347 1.00 25.00 C ATOM 811 O ARG A 53 14.399 -3.352 13.696 1.00 25.00 O ATOM 812 CB ARG A 53 14.601 -2.951 16.785 1.00 25.00 C ATOM 813 CG ARG A 53 15.548 -2.084 17.652 1.00 25.00 C ATOM 814 CD ARG A 53 16.633 -1.393 16.821 1.00 25.00 C ATOM 815 NE ARG A 53 17.827 -0.970 17.579 1.00 25.00 N ATOM 816 CZ ARG A 53 17.957 0.164 18.260 1.00 25.00 C ATOM 817 NH1 ARG A 53 16.971 1.021 18.400 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.108 0.448 18.803 1.00 25.00 N ATOM 0 H ARG A 53 12.560 -3.828 15.278 1.00 25.00 H new ATOM 0 HA ARG A 53 13.731 -1.162 16.014 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.891 -3.449 17.445 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.192 -3.731 16.305 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.964 -1.330 18.180 1.00 25.00 H new ATOM 0 HG3 ARG A 53 16.019 -2.711 18.409 1.00 25.00 H new ATOM 0 HD2 ARG A 53 16.947 -2.070 16.027 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.198 -0.517 16.340 1.00 25.00 H new ATOM 0 HE ARG A 53 18.625 -1.606 17.580 1.00 25.00 H new ATOM 0 HH11 ARG A 53 16.063 0.827 17.978 1.00 25.00 H new ATOM 0 HH12 ARG A 53 17.114 1.880 18.931 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.892 -0.196 18.702 1.00 25.00 H new ATOM 0 HH22 ARG A 53 19.224 1.314 19.329 1.00 25.00 H new ATOM 832 N GLN A 54 15.156 -1.261 13.921 1.00 25.00 N ATOM 833 CA GLN A 54 15.897 -1.269 12.668 1.00 25.00 C ATOM 834 C GLN A 54 17.374 -1.367 12.995 1.00 25.00 C ATOM 835 O GLN A 54 17.818 -0.784 13.974 1.00 25.00 O ATOM 836 CB GLN A 54 15.635 0.026 11.911 1.00 25.00 C ATOM 837 CG GLN A 54 14.900 -0.178 10.626 1.00 25.00 C ATOM 838 CD GLN A 54 14.655 1.125 9.886 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.532 1.444 9.540 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.702 1.871 9.634 1.00 25.00 N ATOM 0 H GLN A 54 15.199 -0.377 14.427 1.00 25.00 H new ATOM 0 HA GLN A 54 15.585 -2.112 12.051 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.061 0.700 12.547 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.586 0.516 11.703 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.470 -0.853 9.988 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.945 -0.662 10.830 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.628 1.571 9.940 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.592 2.752 9.132 1.00 25.00 H new ATOM 849 N GLY A 55 18.128 -2.086 12.182 1.00 25.00 N ATOM 850 CA GLY A 55 19.555 -2.204 12.410 1.00 25.00 C ATOM 851 C GLY A 55 20.244 -3.041 11.356 1.00 25.00 C ATOM 852 O GLY A 55 19.582 -3.646 10.517 1.00 25.00 O ATOM 0 H GLY A 55 17.780 -2.591 11.367 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.000 -1.209 12.427 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.727 -2.647 13.391 1.00 25.00 H new ATOM 856 N ILE A 56 21.565 -3.062 11.376 1.00 25.00 N ATOM 857 CA ILE A 56 22.342 -3.809 10.395 1.00 25.00 C ATOM 858 C ILE A 56 22.457 -5.267 10.822 1.00 25.00 C ATOM 859 O ILE A 56 22.299 -5.610 11.996 1.00 25.00 O ATOM 860 CB ILE A 56 23.755 -3.177 10.191 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.582 -3.276 11.490 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.591 -1.703 9.786 1.00 25.00 C ATOM 863 CD1 ILE A 56 25.969 -2.681 11.402 1.00 25.00 C ATOM 0 H ILE A 56 22.129 -2.566 12.066 1.00 25.00 H new ATOM 0 HA ILE A 56 21.822 -3.763 9.438 1.00 25.00 H new ATOM 0 HB ILE A 56 24.282 -3.719 9.406 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.037 -2.776 12.291 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.669 -4.326 11.770 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.574 -1.254 9.642 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.024 -1.642 8.857 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.059 -1.167 10.572 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.476 -2.796 12.360 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.537 -3.195 10.627 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.896 -1.622 11.155 1.00 25.00 H new ATOM 875 N VAL A 57 22.686 -6.124 9.846 1.00 25.00 N ATOM 876 CA VAL A 57 22.792 -7.566 10.059 1.00 25.00 C ATOM 877 C VAL A 57 23.870 -8.098 9.126 1.00 25.00 C ATOM 878 O VAL A 57 23.932 -7.686 7.971 1.00 25.00 O ATOM 879 CB VAL A 57 21.465 -8.273 9.680 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.567 -9.760 9.825 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.302 -7.722 10.501 1.00 25.00 C ATOM 0 H VAL A 57 22.806 -5.843 8.873 1.00 25.00 H new ATOM 0 HA VAL A 57 23.022 -7.755 11.108 1.00 25.00 H new ATOM 0 HB VAL A 57 21.271 -8.062 8.628 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.617 -10.218 9.550 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.354 -10.136 9.171 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.804 -10.009 10.859 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.382 -8.233 10.217 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.496 -7.885 11.561 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.197 -6.654 10.311 1.00 25.00 H new ATOM 891 N PRO A 58 24.711 -9.036 9.585 1.00 25.00 N ATOM 892 CA PRO A 58 25.672 -9.584 8.629 1.00 25.00 C ATOM 893 C PRO A 58 24.975 -10.466 7.585 1.00 25.00 C ATOM 894 O PRO A 58 24.334 -11.470 7.917 1.00 25.00 O ATOM 895 CB PRO A 58 26.615 -10.386 9.525 1.00 25.00 C ATOM 896 CG PRO A 58 25.769 -10.813 10.673 1.00 25.00 C ATOM 897 CD PRO A 58 24.820 -9.677 10.908 1.00 25.00 C ATOM 0 HA PRO A 58 26.190 -8.825 8.043 1.00 25.00 H new ATOM 0 HB2 PRO A 58 27.029 -11.245 8.997 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.458 -9.780 9.857 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.232 -11.734 10.445 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.375 -11.008 11.557 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.852 -10.030 11.263 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.202 -8.985 11.659 1.00 25.00 H new ATOM 905 N GLY A 59 25.113 -10.102 6.318 1.00 25.00 N ATOM 906 CA GLY A 59 24.483 -10.848 5.237 1.00 25.00 C ATOM 907 C GLY A 59 24.973 -12.278 5.167 1.00 25.00 C ATOM 908 O GLY A 59 24.269 -13.167 4.709 1.00 25.00 O ATOM 0 H GLY A 59 25.656 -9.294 6.013 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.402 -10.843 5.376 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.685 -10.350 4.289 1.00 25.00 H new ATOM 912 N ASN A 60 26.169 -12.509 5.692 1.00 25.00 N ATOM 913 CA ASN A 60 26.772 -13.845 5.738 1.00 25.00 C ATOM 914 C ASN A 60 25.979 -14.834 6.614 1.00 25.00 C ATOM 915 O ASN A 60 26.214 -16.036 6.578 1.00 25.00 O ATOM 916 CB ASN A 60 28.207 -13.721 6.270 1.00 25.00 C ATOM 917 CG ASN A 60 29.083 -14.885 5.864 1.00 25.00 C ATOM 918 OD1 ASN A 60 28.801 -15.589 4.914 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.170 -15.058 6.558 1.00 25.00 N ATOM 0 H ASN A 60 26.753 -11.779 6.100 1.00 25.00 H new ATOM 0 HA ASN A 60 26.762 -14.246 4.725 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.648 -12.794 5.902 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.182 -13.652 7.358 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.819 -15.805 6.311 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.373 -14.447 7.349 1.00 25.00 H new ATOM 926 N ARG A 61 25.041 -14.323 7.408 1.00 25.00 N ATOM 927 CA ARG A 61 24.206 -15.165 8.273 1.00 25.00 C ATOM 928 C ARG A 61 22.731 -15.080 7.870 1.00 25.00 C ATOM 929 O ARG A 61 21.857 -15.593 8.578 1.00 25.00 O ATOM 930 CB ARG A 61 24.391 -14.739 9.736 1.00 25.00 C ATOM 931 CG ARG A 61 25.829 -14.919 10.233 1.00 25.00 C ATOM 932 CD ARG A 61 25.985 -14.502 11.688 1.00 25.00 C ATOM 933 NE ARG A 61 27.363 -14.739 12.154 1.00 25.00 N ATOM 934 CZ ARG A 61 27.828 -14.473 13.370 1.00 25.00 C ATOM 935 NH1 ARG A 61 27.104 -13.915 14.303 1.00 25.00 N ATOM 936 NH2 ARG A 61 29.061 -14.785 13.647 1.00 25.00 N ATOM 0 H ARG A 61 24.837 -13.326 7.473 1.00 25.00 H new ATOM 0 HA ARG A 61 24.519 -16.203 8.158 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.103 -13.693 9.844 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.719 -15.321 10.366 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.123 -15.963 10.121 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.504 -14.329 9.612 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.735 -13.447 11.798 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.285 -15.061 12.309 1.00 25.00 H new ATOM 0 HE ARG A 61 28.017 -15.143 11.484 1.00 25.00 H new ATOM 0 HH11 ARG A 61 26.134 -13.663 14.113 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.509 -13.732 15.221 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.648 -15.224 12.937 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.440 -14.591 14.574 1.00 25.00 H new ATOM 950 N LEU A 62 22.457 -14.453 6.732 1.00 25.00 N ATOM 951 CA LEU A 62 21.087 -14.270 6.247 1.00 25.00 C ATOM 952 C LEU A 62 20.846 -14.862 4.873 1.00 25.00 C ATOM 953 O LEU A 62 21.738 -14.952 4.041 1.00 25.00 O ATOM 954 CB LEU A 62 20.752 -12.783 6.146 1.00 25.00 C ATOM 955 CG LEU A 62 20.007 -12.164 7.325 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.760 -10.701 7.004 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.683 -12.848 7.633 1.00 25.00 C ATOM 0 H LEU A 62 23.171 -14.058 6.120 1.00 25.00 H new ATOM 0 HA LEU A 62 20.458 -14.787 6.972 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.683 -12.234 6.006 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.154 -12.630 5.248 1.00 25.00 H new ATOM 0 HG LEU A 62 20.626 -12.287 8.214 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.228 -10.232 7.831 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.714 -10.196 6.853 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.161 -10.624 6.097 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.208 -12.356 8.482 1.00 25.00 H new ATOM 0 HD22 LEU A 62 18.029 -12.783 6.764 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.862 -13.896 7.874 1.00 25.00 H new ATOM 969 N LYS A 63 19.591 -15.202 4.627 1.00 25.00 N ATOM 970 CA LYS A 63 19.159 -15.669 3.310 1.00 25.00 C ATOM 971 C LYS A 63 17.969 -14.879 2.851 1.00 25.00 C ATOM 972 O LYS A 63 16.925 -14.912 3.482 1.00 25.00 O ATOM 973 CB LYS A 63 18.786 -17.150 3.356 1.00 25.00 C ATOM 974 CG LYS A 63 18.251 -17.691 2.025 1.00 25.00 C ATOM 975 CD LYS A 63 18.021 -19.197 2.071 1.00 25.00 C ATOM 976 CE LYS A 63 19.345 -19.944 2.062 1.00 25.00 C ATOM 977 NZ LYS A 63 19.175 -21.433 1.965 1.00 25.00 N ATOM 0 H LYS A 63 18.846 -15.165 5.323 1.00 25.00 H new ATOM 0 HA LYS A 63 19.986 -15.531 2.614 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.663 -17.728 3.647 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.033 -17.302 4.129 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.315 -17.189 1.780 1.00 25.00 H new ATOM 0 HG3 LYS A 63 18.957 -17.456 1.228 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.458 -19.456 2.967 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.419 -19.504 1.216 1.00 25.00 H new ATOM 0 HE2 LYS A 63 19.947 -19.597 1.222 1.00 25.00 H new ATOM 0 HE3 LYS A 63 19.898 -19.705 2.971 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 20.109 -21.890 1.963 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 18.625 -21.773 2.779 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.673 -21.668 1.085 1.00 25.00 H new ATOM 991 N ILE A 64 18.120 -14.209 1.725 1.00 25.00 N ATOM 992 CA ILE A 64 17.031 -13.450 1.133 1.00 25.00 C ATOM 993 C ILE A 64 15.972 -14.430 0.643 1.00 25.00 C ATOM 994 O ILE A 64 16.280 -15.372 -0.088 1.00 25.00 O ATOM 995 CB ILE A 64 17.533 -12.613 -0.076 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.659 -11.643 0.340 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.392 -11.826 -0.698 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.252 -10.550 1.349 1.00 25.00 C ATOM 0 H ILE A 64 18.992 -14.174 1.197 1.00 25.00 H new ATOM 0 HA ILE A 64 16.623 -12.772 1.882 1.00 25.00 H new ATOM 0 HB ILE A 64 17.930 -13.313 -0.811 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.475 -12.224 0.769 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.048 -11.160 -0.556 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.767 -11.248 -1.542 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.621 -12.515 -1.044 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.968 -11.150 0.045 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.115 -9.923 1.574 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.460 -9.936 0.921 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.893 -11.017 2.266 1.00 25.00 H new ATOM 1010 N LEU A 65 14.732 -14.207 1.044 1.00 25.00 N ATOM 1011 CA LEU A 65 13.615 -15.031 0.609 1.00 25.00 C ATOM 1012 C LEU A 65 12.849 -14.244 -0.447 1.00 25.00 C ATOM 1013 O LEU A 65 12.107 -13.314 -0.129 1.00 25.00 O ATOM 1014 CB LEU A 65 12.701 -15.361 1.794 1.00 25.00 C ATOM 1015 CG LEU A 65 13.369 -15.992 3.026 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.282 -16.241 4.070 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.125 -17.299 2.705 1.00 25.00 C ATOM 0 H LEU A 65 14.471 -13.452 1.678 1.00 25.00 H new ATOM 0 HA LEU A 65 13.975 -15.974 0.197 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.206 -14.442 2.108 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.922 -16.039 1.445 1.00 25.00 H new ATOM 0 HG LEU A 65 14.125 -15.302 3.401 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.727 -16.690 4.958 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.811 -15.295 4.338 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.531 -16.916 3.660 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.573 -17.693 3.617 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.428 -18.031 2.297 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.908 -17.096 1.974 1.00 25.00 H new ATOM 1327 N PRO A 89 29.257 -18.487 10.701 1.00 25.00 N ATOM 1328 CA PRO A 89 30.452 -17.947 10.051 1.00 25.00 C ATOM 1329 C PRO A 89 30.715 -16.507 10.502 1.00 25.00 C ATOM 1330 O PRO A 89 29.812 -15.844 11.037 1.00 25.00 O ATOM 1331 CB PRO A 89 30.090 -18.025 8.565 1.00 25.00 C ATOM 1332 CG PRO A 89 28.624 -17.844 8.545 1.00 25.00 C ATOM 1333 CD PRO A 89 28.146 -18.626 9.739 1.00 25.00 C ATOM 0 HA PRO A 89 31.367 -18.487 10.292 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.596 -17.250 7.990 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.380 -18.983 8.133 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.350 -16.792 8.621 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.188 -18.221 7.620 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.215 -18.223 10.138 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.959 -19.670 9.488 1.00 25.00 H new ATOM 1341 N PRO A 90 31.951 -16.006 10.328 1.00 25.00 N ATOM 1342 CA PRO A 90 32.235 -14.645 10.808 1.00 25.00 C ATOM 1343 C PRO A 90 31.375 -13.551 10.181 1.00 25.00 C ATOM 1344 O PRO A 90 30.923 -13.664 9.036 1.00 25.00 O ATOM 1345 CB PRO A 90 33.704 -14.439 10.414 1.00 25.00 C ATOM 1346 CG PRO A 90 34.262 -15.808 10.316 1.00 25.00 C ATOM 1347 CD PRO A 90 33.152 -16.622 9.733 1.00 25.00 C ATOM 0 HA PRO A 90 32.020 -14.565 11.874 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.789 -13.908 9.466 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.235 -13.847 11.160 1.00 25.00 H new ATOM 0 HG2 PRO A 90 35.148 -15.831 9.681 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.561 -16.186 11.294 1.00 25.00 H new ATOM 0 HD2 PRO A 90 33.138 -16.567 8.644 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.240 -17.676 9.998 1.00 25.00 H new ATOM 1355 N LYS A 91 31.182 -12.475 10.931 1.00 25.00 N ATOM 1356 CA LYS A 91 30.494 -11.288 10.432 1.00 25.00 C ATOM 1357 C LYS A 91 31.583 -10.388 9.841 1.00 25.00 C ATOM 1358 O LYS A 91 32.737 -10.465 10.268 1.00 25.00 O ATOM 1359 CB LYS A 91 29.742 -10.569 11.576 1.00 25.00 C ATOM 1360 CG LYS A 91 30.592 -10.264 12.827 1.00 25.00 C ATOM 1361 CD LYS A 91 29.834 -9.432 13.885 1.00 25.00 C ATOM 1362 CE LYS A 91 28.637 -10.179 14.500 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.042 -9.411 15.649 1.00 25.00 N ATOM 0 H LYS A 91 31.496 -12.398 11.899 1.00 25.00 H new ATOM 0 HA LYS A 91 29.745 -11.546 9.683 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.339 -9.632 11.192 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.892 -11.183 11.874 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.917 -11.203 13.276 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.491 -9.726 12.526 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.525 -9.150 14.679 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.481 -8.508 13.427 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.876 -10.342 13.736 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.958 -11.162 14.845 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.090 -9.776 15.855 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.644 -9.522 16.490 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.980 -8.404 15.398 1.00 25.00 H new ATOM 1377 N PRO A 92 31.241 -9.550 8.844 1.00 25.00 N ATOM 1378 CA PRO A 92 32.266 -8.626 8.347 1.00 25.00 C ATOM 1379 C PRO A 92 32.592 -7.577 9.423 1.00 25.00 C ATOM 1380 O PRO A 92 31.841 -7.427 10.390 1.00 25.00 O ATOM 1381 CB PRO A 92 31.605 -8.019 7.100 1.00 25.00 C ATOM 1382 CG PRO A 92 30.164 -8.098 7.363 1.00 25.00 C ATOM 1383 CD PRO A 92 29.951 -9.351 8.159 1.00 25.00 C ATOM 0 HA PRO A 92 33.222 -9.092 8.110 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.923 -6.988 6.946 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.874 -8.573 6.201 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.821 -7.223 7.915 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.599 -8.128 6.431 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.132 -9.240 8.870 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.703 -10.196 7.517 1.00 25.00 H new