USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 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= -0.0502 X(o=-0.05,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= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.154 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -126:sc= -0.374 (180deg=-1.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 57:sc= -0.0411 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00904 X(o=-0.009,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.091) USER MOD Single : A 60 ASN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 2.23 (180deg=1.98) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.447 2.017 0.078 1.00 25.00 N ATOM 60 CA TYR A 5 13.993 0.711 0.430 1.00 25.00 C ATOM 61 C TYR A 5 13.521 -0.469 -0.442 1.00 25.00 C ATOM 62 O TYR A 5 12.748 -0.314 -1.377 1.00 25.00 O ATOM 63 CB TYR A 5 13.724 0.439 1.913 1.00 25.00 C ATOM 64 CG TYR A 5 14.514 1.356 2.822 1.00 25.00 C ATOM 65 CD1 TYR A 5 15.923 1.432 2.721 1.00 25.00 C ATOM 66 CD2 TYR A 5 13.873 2.134 3.802 1.00 25.00 C ATOM 67 CE1 TYR A 5 16.671 2.269 3.578 1.00 25.00 C ATOM 68 CE2 TYR A 5 14.628 2.975 4.669 1.00 25.00 C ATOM 69 CZ TYR A 5 16.021 3.029 4.544 1.00 25.00 C ATOM 70 OH TYR A 5 16.759 3.840 5.370 1.00 25.00 O ATOM 0 HA TYR A 5 15.063 0.771 0.229 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.660 0.561 2.115 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.974 -0.597 2.141 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.435 0.840 1.976 1.00 25.00 H new ATOM 0 HD2 TYR A 5 12.798 2.094 3.898 1.00 25.00 H new ATOM 0 HE1 TYR A 5 17.746 2.319 3.483 1.00 25.00 H new ATOM 0 HE2 TYR A 5 14.128 3.569 5.420 1.00 25.00 H new ATOM 0 HH TYR A 5 16.161 4.307 5.990 1.00 25.00 H new ATOM 80 N LEU A 6 14.100 -1.634 -0.172 1.00 25.00 N ATOM 81 CA LEU A 6 13.831 -2.858 -0.924 1.00 25.00 C ATOM 82 C LEU A 6 12.598 -3.580 -0.372 1.00 25.00 C ATOM 83 O LEU A 6 11.827 -4.171 -1.118 1.00 25.00 O ATOM 84 CB LEU A 6 15.043 -3.800 -0.816 1.00 25.00 C ATOM 85 CG LEU A 6 16.416 -3.294 -1.286 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.483 -4.347 -0.938 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.433 -3.018 -2.781 1.00 25.00 C ATOM 0 H LEU A 6 14.776 -1.758 0.582 1.00 25.00 H new ATOM 0 HA LEU A 6 13.648 -2.587 -1.964 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.140 -4.095 0.229 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.812 -4.702 -1.382 1.00 25.00 H new ATOM 0 HG LEU A 6 16.629 -2.354 -0.776 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.461 -3.997 -1.268 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.499 -4.506 0.140 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.246 -5.285 -1.440 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.421 -2.662 -3.074 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.202 -3.935 -3.323 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.688 -2.259 -3.019 1.00 25.00 H new ATOM 99 N ASN A 7 12.458 -3.547 0.954 1.00 25.00 N ATOM 100 CA ASN A 7 11.349 -4.191 1.689 1.00 25.00 C ATOM 101 C ASN A 7 11.141 -5.684 1.338 1.00 25.00 C ATOM 102 O ASN A 7 10.024 -6.115 1.063 1.00 25.00 O ATOM 103 CB ASN A 7 10.029 -3.428 1.466 1.00 25.00 C ATOM 104 CG ASN A 7 10.109 -1.984 1.899 1.00 25.00 C ATOM 105 OD1 ASN A 7 9.798 -1.089 1.148 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.505 -1.756 3.126 1.00 25.00 N ATOM 0 H ASN A 7 13.119 -3.066 1.565 1.00 25.00 H new ATOM 0 HA ASN A 7 11.640 -4.150 2.739 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.763 -3.472 0.410 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.230 -3.924 2.017 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.558 -0.799 3.475 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.760 -2.535 3.733 1.00 25.00 H new ATOM 113 N VAL A 8 12.206 -6.473 1.383 1.00 25.00 N ATOM 114 CA VAL A 8 12.132 -7.907 1.059 1.00 25.00 C ATOM 115 C VAL A 8 12.295 -8.680 2.356 1.00 25.00 C ATOM 116 O VAL A 8 12.809 -8.145 3.320 1.00 25.00 O ATOM 117 CB VAL A 8 13.226 -8.318 0.010 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.749 -7.096 -0.726 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.408 -9.054 0.637 1.00 25.00 C ATOM 0 H VAL A 8 13.139 -6.151 1.641 1.00 25.00 H new ATOM 0 HA VAL A 8 11.170 -8.136 0.601 1.00 25.00 H new ATOM 0 HB VAL A 8 12.734 -9.000 -0.684 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.506 -7.402 -1.448 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.927 -6.606 -1.248 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.190 -6.402 -0.011 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.129 -9.311 -0.139 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.885 -8.412 1.378 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.055 -9.965 1.120 1.00 25.00 H new ATOM 129 N LEU A 9 11.874 -9.930 2.397 1.00 25.00 N ATOM 130 CA LEU A 9 12.025 -10.731 3.616 1.00 25.00 C ATOM 131 C LEU A 9 13.267 -11.612 3.538 1.00 25.00 C ATOM 132 O LEU A 9 13.617 -12.132 2.480 1.00 25.00 O ATOM 133 CB LEU A 9 10.780 -11.592 3.851 1.00 25.00 C ATOM 134 CG LEU A 9 9.463 -10.813 4.043 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.322 -11.804 4.225 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.532 -9.869 5.245 1.00 25.00 C ATOM 0 H LEU A 9 11.430 -10.415 1.617 1.00 25.00 H new ATOM 0 HA LEU A 9 12.142 -10.047 4.456 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.662 -12.269 3.005 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.948 -12.211 4.733 1.00 25.00 H new ATOM 0 HG LEU A 9 9.293 -10.201 3.157 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.387 -11.261 4.361 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.247 -12.439 3.342 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.514 -12.423 5.102 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.585 -9.339 5.346 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.723 -10.446 6.150 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.337 -9.149 5.096 1.00 25.00 H new ATOM 148 N ALA A 10 13.913 -11.795 4.677 1.00 25.00 N ATOM 149 CA ALA A 10 15.090 -12.657 4.772 1.00 25.00 C ATOM 150 C ALA A 10 15.018 -13.526 6.027 1.00 25.00 C ATOM 151 O ALA A 10 14.504 -13.081 7.044 1.00 25.00 O ATOM 152 CB ALA A 10 16.346 -11.806 4.798 1.00 25.00 C ATOM 0 H ALA A 10 13.643 -11.357 5.558 1.00 25.00 H new ATOM 0 HA ALA A 10 15.118 -13.312 3.901 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.221 -12.451 4.869 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.404 -11.215 3.884 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.316 -11.139 5.660 1.00 25.00 H new ATOM 158 N LYS A 11 15.560 -14.739 5.952 1.00 25.00 N ATOM 159 CA LYS A 11 15.603 -15.654 7.094 1.00 25.00 C ATOM 160 C LYS A 11 17.014 -15.772 7.647 1.00 25.00 C ATOM 161 O LYS A 11 17.980 -15.876 6.887 1.00 25.00 O ATOM 162 CB LYS A 11 15.138 -17.055 6.676 1.00 25.00 C ATOM 163 CG LYS A 11 15.272 -18.109 7.793 1.00 25.00 C ATOM 164 CD LYS A 11 14.488 -19.389 7.528 1.00 25.00 C ATOM 165 CE LYS A 11 13.005 -19.183 7.794 1.00 25.00 C ATOM 166 NZ LYS A 11 12.215 -20.461 7.814 1.00 25.00 N ATOM 0 H LYS A 11 15.981 -15.116 5.103 1.00 25.00 H new ATOM 0 HA LYS A 11 14.941 -15.248 7.859 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.096 -17.004 6.360 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.718 -17.378 5.812 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.325 -18.359 7.920 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.932 -17.674 8.733 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.636 -19.703 6.495 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.867 -20.190 8.162 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.883 -18.675 8.751 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.595 -18.524 7.029 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.214 -20.248 8.000 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.302 -20.937 6.894 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.581 -21.084 8.562 1.00 25.00 H new ATOM 180 N ALA A 12 17.130 -15.821 8.960 1.00 25.00 N ATOM 181 CA ALA A 12 18.403 -16.057 9.625 1.00 25.00 C ATOM 182 C ALA A 12 18.818 -17.532 9.503 1.00 25.00 C ATOM 183 O ALA A 12 18.049 -18.424 9.855 1.00 25.00 O ATOM 184 CB ALA A 12 18.266 -15.678 11.081 1.00 25.00 C ATOM 0 H ALA A 12 16.345 -15.698 9.599 1.00 25.00 H new ATOM 0 HA ALA A 12 19.175 -15.451 9.151 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.213 -15.850 11.592 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.997 -14.625 11.159 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.488 -16.286 11.544 1.00 25.00 H new ATOM 190 N LEU A 13 20.035 -17.787 9.036 1.00 25.00 N ATOM 191 CA LEU A 13 20.559 -19.157 8.965 1.00 25.00 C ATOM 192 C LEU A 13 21.205 -19.531 10.282 1.00 25.00 C ATOM 193 O LEU A 13 21.404 -20.708 10.564 1.00 25.00 O ATOM 194 CB LEU A 13 21.651 -19.287 7.900 1.00 25.00 C ATOM 195 CG LEU A 13 21.324 -19.158 6.411 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.891 -19.574 6.051 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.602 -17.763 5.945 1.00 25.00 C ATOM 0 H LEU A 13 20.679 -17.071 8.701 1.00 25.00 H new ATOM 0 HA LEU A 13 19.715 -19.804 8.725 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.407 -18.536 8.126 1.00 25.00 H new ATOM 0 HB3 LEU A 13 22.118 -20.262 8.040 1.00 25.00 H new ATOM 0 HG LEU A 13 21.975 -19.861 5.890 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.736 -19.455 4.979 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.735 -20.617 6.326 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.183 -18.946 6.592 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.366 -17.680 4.884 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.987 -17.062 6.509 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.655 -17.530 6.102 1.00 25.00 H new ATOM 209 N TYR A 14 21.573 -18.518 11.054 1.00 25.00 N ATOM 210 CA TYR A 14 22.271 -18.706 12.315 1.00 25.00 C ATOM 211 C TYR A 14 21.780 -17.649 13.294 1.00 25.00 C ATOM 212 O TYR A 14 21.150 -16.678 12.887 1.00 25.00 O ATOM 213 CB TYR A 14 23.776 -18.519 12.125 1.00 25.00 C ATOM 214 CG TYR A 14 24.375 -19.436 11.080 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.575 -18.985 9.765 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.753 -20.760 11.401 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.129 -19.836 8.774 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.321 -21.610 10.419 1.00 25.00 C ATOM 219 CZ TYR A 14 25.501 -21.140 9.115 1.00 25.00 C ATOM 220 OH TYR A 14 26.040 -21.962 8.163 1.00 25.00 O ATOM 0 H TYR A 14 21.395 -17.541 10.822 1.00 25.00 H new ATOM 0 HA TYR A 14 22.078 -19.713 12.686 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.972 -17.484 11.843 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.278 -18.691 13.077 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.302 -17.973 9.504 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.607 -21.128 12.406 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.262 -19.479 7.763 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.614 -22.617 10.677 1.00 25.00 H new ATOM 0 HH TYR A 14 26.245 -22.833 8.561 1.00 25.00 H new ATOM 230 N ASP A 15 22.112 -17.822 14.563 1.00 25.00 N ATOM 231 CA ASP A 15 21.866 -16.810 15.588 1.00 25.00 C ATOM 232 C ASP A 15 22.780 -15.617 15.332 1.00 25.00 C ATOM 233 O ASP A 15 23.834 -15.744 14.682 1.00 25.00 O ATOM 234 CB ASP A 15 22.203 -17.404 16.956 1.00 25.00 C ATOM 235 CG ASP A 15 21.686 -16.570 18.110 1.00 25.00 C ATOM 236 OD1 ASP A 15 20.615 -16.910 18.640 1.00 25.00 O ATOM 237 OD2 ASP A 15 22.399 -15.659 18.556 1.00 25.00 O ATOM 0 H ASP A 15 22.560 -18.667 14.916 1.00 25.00 H new ATOM 0 HA ASP A 15 20.823 -16.495 15.561 1.00 25.00 H new ATOM 0 HB2 ASP A 15 21.782 -18.407 17.023 1.00 25.00 H new ATOM 0 HB3 ASP A 15 23.285 -17.505 17.045 1.00 25.00 H new ATOM 242 N ASN A 16 22.419 -14.483 15.896 1.00 25.00 N ATOM 243 CA ASN A 16 23.265 -13.305 15.878 1.00 25.00 C ATOM 244 C ASN A 16 23.075 -12.517 17.155 1.00 25.00 C ATOM 245 O ASN A 16 21.950 -12.180 17.521 1.00 25.00 O ATOM 246 CB ASN A 16 22.939 -12.402 14.691 1.00 25.00 C ATOM 247 CG ASN A 16 24.033 -11.414 14.433 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.172 -11.806 14.208 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.728 -10.154 14.505 1.00 25.00 N ATOM 0 H ASN A 16 21.531 -14.351 16.380 1.00 25.00 H new ATOM 0 HA ASN A 16 24.298 -13.641 15.789 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.782 -13.012 13.802 1.00 25.00 H new ATOM 0 HB3 ASN A 16 22.006 -11.871 14.882 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.450 -9.446 14.372 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.766 -9.872 14.694 1.00 25.00 H new ATOM 256 N VAL A 17 24.177 -12.183 17.802 1.00 25.00 N ATOM 257 CA VAL A 17 24.165 -11.351 18.989 1.00 25.00 C ATOM 258 C VAL A 17 24.693 -10.015 18.521 1.00 25.00 C ATOM 259 O VAL A 17 25.748 -9.947 17.893 1.00 25.00 O ATOM 260 CB VAL A 17 25.068 -11.936 20.121 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.100 -10.987 21.337 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.550 -13.313 20.552 1.00 25.00 C ATOM 0 H VAL A 17 25.109 -12.483 17.517 1.00 25.00 H new ATOM 0 HA VAL A 17 23.166 -11.282 19.420 1.00 25.00 H new ATOM 0 HB VAL A 17 26.081 -12.039 19.731 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.734 -11.413 22.114 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.499 -10.019 21.033 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.089 -10.857 21.724 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.188 -13.711 21.342 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.529 -13.218 20.923 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.564 -13.991 19.698 1.00 25.00 H new ATOM 272 N ALA A 18 23.917 -8.981 18.762 1.00 25.00 N ATOM 273 CA ALA A 18 24.270 -7.637 18.340 1.00 25.00 C ATOM 274 C ALA A 18 25.403 -7.123 19.225 1.00 25.00 C ATOM 275 O ALA A 18 25.301 -7.162 20.447 1.00 25.00 O ATOM 276 CB ALA A 18 23.049 -6.735 18.452 1.00 25.00 C ATOM 0 H ALA A 18 23.026 -9.044 19.254 1.00 25.00 H new ATOM 0 HA ALA A 18 24.603 -7.641 17.302 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.312 -5.726 18.136 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.253 -7.119 17.814 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.706 -6.713 19.487 1.00 25.00 H new ATOM 282 N GLU A 19 26.475 -6.659 18.599 1.00 25.00 N ATOM 283 CA GLU A 19 27.620 -6.114 19.323 1.00 25.00 C ATOM 284 C GLU A 19 27.677 -4.607 19.123 1.00 25.00 C ATOM 285 O GLU A 19 28.103 -3.857 19.996 1.00 25.00 O ATOM 286 CB GLU A 19 28.915 -6.768 18.827 1.00 25.00 C ATOM 287 CG GLU A 19 28.996 -8.251 19.171 1.00 25.00 C ATOM 288 CD GLU A 19 30.260 -8.916 18.634 1.00 25.00 C ATOM 289 OE1 GLU A 19 31.282 -8.939 19.338 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.204 -9.450 17.499 1.00 25.00 O ATOM 0 H GLU A 19 26.578 -6.648 17.584 1.00 25.00 H new ATOM 0 HA GLU A 19 27.510 -6.327 20.386 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.988 -6.646 17.746 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.769 -6.251 19.265 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.961 -8.370 20.254 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.122 -8.761 18.765 1.00 25.00 H new ATOM 297 N SER A 20 27.189 -4.161 17.977 1.00 25.00 N ATOM 298 CA SER A 20 27.077 -2.736 17.691 1.00 25.00 C ATOM 299 C SER A 20 25.696 -2.303 18.149 1.00 25.00 C ATOM 300 O SER A 20 24.737 -3.069 18.029 1.00 25.00 O ATOM 301 CB SER A 20 27.240 -2.487 16.185 1.00 25.00 C ATOM 302 OG SER A 20 26.886 -1.164 15.841 1.00 25.00 O ATOM 0 H SER A 20 26.862 -4.767 17.225 1.00 25.00 H new ATOM 0 HA SER A 20 27.853 -2.170 18.207 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.273 -2.677 15.893 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.618 -3.188 15.629 1.00 25.00 H new ATOM 0 HG SER A 20 27.002 -1.035 14.876 1.00 25.00 H new ATOM 308 N PRO A 21 25.558 -1.056 18.627 1.00 25.00 N ATOM 309 CA PRO A 21 24.220 -0.587 19.006 1.00 25.00 C ATOM 310 C PRO A 21 23.310 -0.414 17.788 1.00 25.00 C ATOM 311 O PRO A 21 22.089 -0.275 17.928 1.00 25.00 O ATOM 312 CB PRO A 21 24.510 0.757 19.680 1.00 25.00 C ATOM 313 CG PRO A 21 25.758 1.224 19.017 1.00 25.00 C ATOM 314 CD PRO A 21 26.574 -0.007 18.848 1.00 25.00 C ATOM 0 HA PRO A 21 23.690 -1.290 19.649 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.692 1.462 19.535 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.646 0.644 20.756 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.545 1.694 18.057 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.278 1.964 19.626 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.258 0.076 18.003 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.180 -0.213 19.730 1.00 25.00 H new ATOM 322 N ASP A 22 23.893 -0.467 16.598 1.00 25.00 N ATOM 323 CA ASP A 22 23.141 -0.347 15.363 1.00 25.00 C ATOM 324 C ASP A 22 22.851 -1.714 14.775 1.00 25.00 C ATOM 325 O ASP A 22 22.280 -1.797 13.712 1.00 25.00 O ATOM 326 CB ASP A 22 23.944 0.469 14.352 1.00 25.00 C ATOM 327 CG ASP A 22 23.968 1.937 14.696 1.00 25.00 C ATOM 328 OD1 ASP A 22 22.880 2.520 14.889 1.00 25.00 O ATOM 329 OD2 ASP A 22 25.069 2.508 14.786 1.00 25.00 O ATOM 0 H ASP A 22 24.896 -0.594 16.465 1.00 25.00 H new ATOM 0 HA ASP A 22 22.197 0.151 15.583 1.00 25.00 H new ATOM 0 HB2 ASP A 22 24.965 0.090 14.311 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.515 0.337 13.359 1.00 25.00 H new ATOM 334 N GLU A 23 23.263 -2.785 15.436 1.00 25.00 N ATOM 335 CA GLU A 23 23.077 -4.140 14.911 1.00 25.00 C ATOM 336 C GLU A 23 21.827 -4.805 15.501 1.00 25.00 C ATOM 337 O GLU A 23 21.427 -4.523 16.630 1.00 25.00 O ATOM 338 CB GLU A 23 24.328 -4.974 15.220 1.00 25.00 C ATOM 339 CG GLU A 23 24.386 -6.332 14.534 1.00 25.00 C ATOM 340 CD GLU A 23 25.655 -7.100 14.849 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.850 -8.180 14.245 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.434 -6.679 15.737 1.00 25.00 O ATOM 0 H GLU A 23 23.731 -2.747 16.341 1.00 25.00 H new ATOM 0 HA GLU A 23 22.932 -4.081 13.832 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.208 -4.400 14.930 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.387 -5.126 16.298 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.524 -6.925 14.840 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.311 -6.192 13.456 1.00 25.00 H new ATOM 349 N LEU A 24 21.216 -5.712 14.743 1.00 25.00 N ATOM 350 CA LEU A 24 20.088 -6.494 15.248 1.00 25.00 C ATOM 351 C LEU A 24 20.526 -7.843 15.772 1.00 25.00 C ATOM 352 O LEU A 24 21.360 -8.527 15.183 1.00 25.00 O ATOM 353 CB LEU A 24 19.048 -6.748 14.154 1.00 25.00 C ATOM 354 CG LEU A 24 18.220 -5.533 13.720 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.303 -5.944 12.586 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.409 -4.965 14.888 1.00 25.00 C ATOM 0 H LEU A 24 21.481 -5.924 13.781 1.00 25.00 H new ATOM 0 HA LEU A 24 19.656 -5.902 16.055 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.561 -7.145 13.278 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.365 -7.523 14.502 1.00 25.00 H new ATOM 0 HG LEU A 24 18.895 -4.747 13.382 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.709 -5.087 12.269 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.900 -6.302 11.747 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.640 -6.740 12.925 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.833 -4.105 14.547 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.730 -5.730 15.265 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.086 -4.656 15.685 1.00 25.00 H new ATOM 368 N SER A 25 19.895 -8.245 16.857 1.00 25.00 N ATOM 369 CA SER A 25 20.108 -9.544 17.453 1.00 25.00 C ATOM 370 C SER A 25 18.881 -10.369 17.135 1.00 25.00 C ATOM 371 O SER A 25 17.750 -9.883 17.243 1.00 25.00 O ATOM 372 CB SER A 25 20.277 -9.408 18.968 1.00 25.00 C ATOM 373 OG SER A 25 19.729 -8.177 19.418 1.00 25.00 O ATOM 0 H SER A 25 19.213 -7.671 17.353 1.00 25.00 H new ATOM 0 HA SER A 25 21.010 -10.015 17.062 1.00 25.00 H new ATOM 0 HB2 SER A 25 19.783 -10.239 19.472 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.334 -9.460 19.229 1.00 25.00 H new ATOM 0 HG SER A 25 19.842 -8.104 20.389 1.00 25.00 H new ATOM 379 N PHE A 26 19.110 -11.603 16.717 1.00 25.00 N ATOM 380 CA PHE A 26 18.029 -12.527 16.359 1.00 25.00 C ATOM 381 C PHE A 26 18.456 -13.992 16.435 1.00 25.00 C ATOM 382 O PHE A 26 19.639 -14.301 16.539 1.00 25.00 O ATOM 383 CB PHE A 26 17.516 -12.216 14.950 1.00 25.00 C ATOM 384 CG PHE A 26 18.589 -12.164 13.897 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.216 -13.340 13.430 1.00 25.00 C ATOM 386 CD2 PHE A 26 18.959 -10.933 13.338 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.195 -13.283 12.403 1.00 25.00 C ATOM 388 CE2 PHE A 26 19.914 -10.874 12.310 1.00 25.00 C ATOM 389 CZ PHE A 26 20.527 -12.053 11.833 1.00 25.00 C ATOM 0 H PHE A 26 20.045 -11.998 16.614 1.00 25.00 H new ATOM 0 HA PHE A 26 17.234 -12.380 17.090 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.783 -12.972 14.668 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.995 -11.259 14.969 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.948 -14.294 13.859 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.506 -10.022 13.701 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.680 -14.187 12.065 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.182 -9.920 11.881 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.249 -12.003 11.031 1.00 25.00 H new ATOM 399 N ARG A 27 17.479 -14.887 16.374 1.00 25.00 N ATOM 400 CA ARG A 27 17.707 -16.324 16.468 1.00 25.00 C ATOM 401 C ARG A 27 17.717 -16.937 15.076 1.00 25.00 C ATOM 402 O ARG A 27 17.116 -16.404 14.147 1.00 25.00 O ATOM 403 CB ARG A 27 16.548 -16.922 17.302 1.00 25.00 C ATOM 404 CG ARG A 27 16.722 -18.374 17.775 1.00 25.00 C ATOM 405 CD ARG A 27 17.917 -18.477 18.692 1.00 25.00 C ATOM 406 NE ARG A 27 18.162 -19.825 19.225 1.00 25.00 N ATOM 407 CZ ARG A 27 19.231 -20.168 19.933 1.00 25.00 C ATOM 408 NH1 ARG A 27 20.193 -19.320 20.212 1.00 25.00 N ATOM 409 NH2 ARG A 27 19.346 -21.387 20.360 1.00 25.00 N ATOM 0 H ARG A 27 16.498 -14.635 16.257 1.00 25.00 H new ATOM 0 HA ARG A 27 18.667 -16.534 16.939 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.399 -16.293 18.180 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.635 -16.863 16.709 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.824 -18.706 18.296 1.00 25.00 H new ATOM 0 HG3 ARG A 27 16.854 -19.032 16.916 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.804 -18.147 18.151 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.779 -17.790 19.527 1.00 25.00 H new ATOM 0 HE ARG A 27 17.464 -20.545 19.038 1.00 25.00 H new ATOM 0 HH11 ARG A 27 20.136 -18.357 19.881 1.00 25.00 H new ATOM 0 HH12 ARG A 27 20.998 -19.624 20.759 1.00 25.00 H new ATOM 0 HH21 ARG A 27 18.619 -22.071 20.151 1.00 25.00 H new ATOM 0 HH22 ARG A 27 20.163 -21.662 20.905 1.00 25.00 H new ATOM 423 N LYS A 28 18.335 -18.099 14.939 1.00 25.00 N ATOM 424 CA LYS A 28 18.260 -18.854 13.689 1.00 25.00 C ATOM 425 C LYS A 28 16.791 -19.111 13.378 1.00 25.00 C ATOM 426 O LYS A 28 16.036 -19.572 14.238 1.00 25.00 O ATOM 427 CB LYS A 28 18.991 -20.193 13.811 1.00 25.00 C ATOM 428 CG LYS A 28 18.817 -21.091 12.578 1.00 25.00 C ATOM 429 CD LYS A 28 19.635 -22.367 12.680 1.00 25.00 C ATOM 430 CE LYS A 28 19.435 -23.213 11.423 1.00 25.00 C ATOM 431 NZ LYS A 28 20.713 -23.863 10.972 1.00 25.00 N ATOM 0 H LYS A 28 18.892 -18.542 15.670 1.00 25.00 H new ATOM 0 HA LYS A 28 18.734 -18.280 12.893 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.053 -20.007 13.970 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.625 -20.721 14.692 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.763 -21.345 12.461 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.114 -20.541 11.685 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.691 -22.124 12.802 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.334 -22.933 13.562 1.00 25.00 H new ATOM 0 HE2 LYS A 28 18.687 -23.981 11.618 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.045 -22.585 10.622 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 20.533 -24.427 10.117 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.420 -23.130 10.760 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.072 -24.483 11.726 1.00 25.00 H new ATOM 445 N GLY A 29 16.397 -18.834 12.145 1.00 25.00 N ATOM 446 CA GLY A 29 15.034 -19.059 11.712 1.00 25.00 C ATOM 447 C GLY A 29 14.166 -17.820 11.706 1.00 25.00 C ATOM 448 O GLY A 29 13.098 -17.846 11.091 1.00 25.00 O ATOM 0 H GLY A 29 17.009 -18.451 11.425 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.050 -19.481 10.707 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.577 -19.804 12.363 1.00 25.00 H new ATOM 452 N ASP A 30 14.620 -16.745 12.333 1.00 25.00 N ATOM 453 CA ASP A 30 13.854 -15.497 12.391 1.00 25.00 C ATOM 454 C ASP A 30 13.709 -14.888 11.016 1.00 25.00 C ATOM 455 O ASP A 30 14.544 -15.113 10.139 1.00 25.00 O ATOM 456 CB ASP A 30 14.546 -14.458 13.279 1.00 25.00 C ATOM 457 CG ASP A 30 14.001 -14.441 14.689 1.00 25.00 C ATOM 458 OD1 ASP A 30 14.802 -14.354 15.646 1.00 25.00 O ATOM 459 OD2 ASP A 30 12.766 -14.498 14.837 1.00 25.00 O ATOM 0 H ASP A 30 15.519 -16.707 12.813 1.00 25.00 H new ATOM 0 HA ASP A 30 12.877 -15.752 12.802 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.615 -14.666 13.310 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.427 -13.469 12.836 1.00 25.00 H new ATOM 464 N ILE A 31 12.659 -14.099 10.844 1.00 25.00 N ATOM 465 CA ILE A 31 12.402 -13.402 9.587 1.00 25.00 C ATOM 466 C ILE A 31 12.467 -11.914 9.848 1.00 25.00 C ATOM 467 O ILE A 31 11.803 -11.410 10.746 1.00 25.00 O ATOM 468 CB ILE A 31 10.998 -13.743 8.999 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.861 -15.253 8.722 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.743 -12.940 7.689 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.910 -15.835 7.785 1.00 25.00 C ATOM 0 H ILE A 31 11.962 -13.922 11.567 1.00 25.00 H new ATOM 0 HA ILE A 31 13.153 -13.720 8.863 1.00 25.00 H new ATOM 0 HB ILE A 31 10.252 -13.460 9.741 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.908 -15.787 9.671 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.874 -15.441 8.299 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.759 -13.191 7.294 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.786 -11.872 7.903 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.505 -13.194 6.952 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.728 -16.902 7.653 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.852 -15.335 6.818 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.902 -15.686 8.212 1.00 25.00 H new ATOM 483 N MET A 32 13.243 -11.213 9.039 1.00 25.00 N ATOM 484 CA MET A 32 13.365 -9.764 9.141 1.00 25.00 C ATOM 485 C MET A 32 13.167 -9.134 7.786 1.00 25.00 C ATOM 486 O MET A 32 13.370 -9.768 6.745 1.00 25.00 O ATOM 487 CB MET A 32 14.725 -9.377 9.713 1.00 25.00 C ATOM 488 CG MET A 32 15.907 -9.917 8.931 1.00 25.00 C ATOM 489 SD MET A 32 17.242 -10.295 10.054 1.00 25.00 S ATOM 490 CE MET A 32 16.602 -11.858 10.815 1.00 25.00 C ATOM 0 H MET A 32 13.805 -11.627 8.295 1.00 25.00 H new ATOM 0 HA MET A 32 12.594 -9.397 9.818 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.795 -8.290 9.750 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.789 -9.736 10.740 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.615 -10.812 8.382 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.234 -9.184 8.194 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.598 -11.759 11.901 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.587 -12.044 10.464 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.244 -12.691 10.529 1.00 25.00 H new ATOM 500 N THR A 33 12.751 -7.882 7.812 1.00 25.00 N ATOM 501 CA THR A 33 12.492 -7.120 6.599 1.00 25.00 C ATOM 502 C THR A 33 13.756 -6.395 6.173 1.00 25.00 C ATOM 503 O THR A 33 14.199 -5.494 6.856 1.00 25.00 O ATOM 504 CB THR A 33 11.390 -6.064 6.847 1.00 25.00 C ATOM 505 OG1 THR A 33 10.184 -6.724 7.235 1.00 25.00 O ATOM 506 CG2 THR A 33 11.113 -5.254 5.599 1.00 25.00 C ATOM 0 H THR A 33 12.582 -7.362 8.673 1.00 25.00 H new ATOM 0 HA THR A 33 12.168 -7.813 5.823 1.00 25.00 H new ATOM 0 HB THR A 33 11.736 -5.393 7.633 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.483 -6.058 7.395 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.334 -4.521 5.807 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.023 -4.739 5.290 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.783 -5.918 4.800 1.00 25.00 H new ATOM 514 N VAL A 34 14.337 -6.785 5.049 1.00 25.00 N ATOM 515 CA VAL A 34 15.548 -6.153 4.536 1.00 25.00 C ATOM 516 C VAL A 34 15.173 -4.871 3.842 1.00 25.00 C ATOM 517 O VAL A 34 14.402 -4.860 2.876 1.00 25.00 O ATOM 518 CB VAL A 34 16.306 -7.059 3.554 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.623 -6.414 3.124 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.560 -8.398 4.205 1.00 25.00 C ATOM 0 H VAL A 34 13.986 -7.545 4.467 1.00 25.00 H new ATOM 0 HA VAL A 34 16.209 -5.960 5.381 1.00 25.00 H new ATOM 0 HB VAL A 34 15.698 -7.201 2.660 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.142 -7.074 2.429 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.419 -5.461 2.636 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.249 -6.246 4.000 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.098 -9.044 3.511 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.157 -8.257 5.106 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.609 -8.861 4.468 1.00 25.00 H new ATOM 530 N LEU A 35 15.708 -3.785 4.352 1.00 25.00 N ATOM 531 CA LEU A 35 15.450 -2.471 3.832 1.00 25.00 C ATOM 532 C LEU A 35 16.487 -2.145 2.780 1.00 25.00 C ATOM 533 O LEU A 35 16.141 -1.739 1.688 1.00 25.00 O ATOM 534 CB LEU A 35 15.493 -1.461 4.973 1.00 25.00 C ATOM 535 CG LEU A 35 14.462 -1.729 6.072 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.708 -0.780 7.201 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.034 -1.575 5.555 1.00 25.00 C ATOM 0 H LEU A 35 16.343 -3.795 5.151 1.00 25.00 H new ATOM 0 HA LEU A 35 14.462 -2.430 3.373 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.490 -1.466 5.414 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.328 -0.462 4.569 1.00 25.00 H new ATOM 0 HG LEU A 35 14.572 -2.758 6.413 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.980 -0.959 7.992 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.714 -0.933 7.592 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.609 0.245 6.843 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.331 -1.773 6.364 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.888 -0.559 5.188 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.862 -2.283 4.744 1.00 25.00 H new ATOM 549 N GLU A 36 17.751 -2.394 3.067 1.00 25.00 N ATOM 550 CA GLU A 36 18.790 -2.224 2.055 1.00 25.00 C ATOM 551 C GLU A 36 19.975 -3.109 2.390 1.00 25.00 C ATOM 552 O GLU A 36 20.031 -3.684 3.469 1.00 25.00 O ATOM 553 CB GLU A 36 19.200 -0.749 1.921 1.00 25.00 C ATOM 554 CG GLU A 36 20.080 -0.197 2.972 1.00 25.00 C ATOM 555 CD GLU A 36 20.100 1.327 2.970 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.519 1.912 3.992 1.00 25.00 O ATOM 557 OE2 GLU A 36 19.649 1.939 1.981 1.00 25.00 O ATOM 0 H GLU A 36 18.085 -2.710 3.977 1.00 25.00 H new ATOM 0 HA GLU A 36 18.395 -2.529 1.086 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.700 -0.623 0.961 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.292 -0.147 1.889 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.745 -0.552 3.946 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.093 -0.571 2.827 1.00 25.00 H new ATOM 564 N ARG A 37 20.910 -3.238 1.465 1.00 25.00 N ATOM 565 CA ARG A 37 22.095 -4.060 1.678 1.00 25.00 C ATOM 566 C ARG A 37 23.291 -3.164 1.454 1.00 25.00 C ATOM 567 O ARG A 37 23.182 -2.206 0.697 1.00 25.00 O ATOM 568 CB ARG A 37 22.120 -5.224 0.697 1.00 25.00 C ATOM 569 CG ARG A 37 20.934 -6.157 0.867 1.00 25.00 C ATOM 570 CD ARG A 37 21.094 -7.404 0.027 1.00 25.00 C ATOM 571 NE ARG A 37 21.095 -7.088 -1.411 1.00 25.00 N ATOM 572 CZ ARG A 37 20.036 -7.143 -2.211 1.00 25.00 C ATOM 573 NH1 ARG A 37 18.852 -7.514 -1.786 1.00 25.00 N ATOM 574 NH2 ARG A 37 20.174 -6.821 -3.469 1.00 25.00 N ATOM 0 H ARG A 37 20.873 -2.782 0.553 1.00 25.00 H new ATOM 0 HA ARG A 37 22.100 -4.480 2.684 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.129 -4.836 -0.321 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.043 -5.788 0.831 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.833 -6.433 1.917 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.017 -5.640 0.584 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.025 -7.905 0.291 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.284 -8.099 0.248 1.00 25.00 H new ATOM 0 HE ARG A 37 21.982 -6.803 -1.827 1.00 25.00 H new ATOM 0 HH11 ARG A 37 18.719 -7.774 -0.809 1.00 25.00 H new ATOM 0 HH12 ARG A 37 18.064 -7.543 -2.433 1.00 25.00 H new ATOM 0 HH21 ARG A 37 21.085 -6.532 -3.825 1.00 25.00 H new ATOM 0 HH22 ARG A 37 19.370 -6.858 -4.096 1.00 25.00 H new ATOM 588 N ASP A 38 24.385 -3.470 2.138 1.00 25.00 N ATOM 589 CA ASP A 38 25.632 -2.709 2.060 1.00 25.00 C ATOM 590 C ASP A 38 25.341 -1.263 2.485 1.00 25.00 C ATOM 591 O ASP A 38 25.823 -0.269 1.932 1.00 25.00 O ATOM 592 CB ASP A 38 26.247 -2.889 0.675 1.00 25.00 C ATOM 593 CG ASP A 38 26.295 -4.369 0.266 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.635 -4.742 -0.738 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.836 -5.186 1.057 1.00 25.00 O ATOM 0 H ASP A 38 24.435 -4.266 2.774 1.00 25.00 H new ATOM 0 HA ASP A 38 26.395 -3.072 2.749 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.667 -2.327 -0.057 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.256 -2.476 0.668 1.00 25.00 H new ATOM 600 N THR A 39 24.473 -1.186 3.483 1.00 25.00 N ATOM 601 CA THR A 39 23.965 0.074 4.023 1.00 25.00 C ATOM 602 C THR A 39 25.078 0.875 4.661 1.00 25.00 C ATOM 603 O THR A 39 25.992 0.313 5.227 1.00 25.00 O ATOM 604 CB THR A 39 22.875 -0.204 5.075 1.00 25.00 C ATOM 605 OG1 THR A 39 22.425 1.016 5.663 1.00 25.00 O ATOM 606 CG2 THR A 39 23.343 -1.131 6.158 1.00 25.00 C ATOM 0 H THR A 39 24.093 -2.009 3.951 1.00 25.00 H new ATOM 0 HA THR A 39 23.544 0.649 3.198 1.00 25.00 H new ATOM 0 HB THR A 39 22.054 -0.691 4.549 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.585 1.293 5.240 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.536 -1.293 6.872 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.636 -2.085 5.719 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.198 -0.690 6.670 1.00 25.00 H new ATOM 614 N GLN A 40 24.992 2.193 4.545 1.00 25.00 N ATOM 615 CA GLN A 40 26.004 3.131 5.069 1.00 25.00 C ATOM 616 C GLN A 40 27.410 2.883 4.496 1.00 25.00 C ATOM 617 O GLN A 40 28.390 3.406 5.016 1.00 25.00 O ATOM 618 CB GLN A 40 26.052 3.107 6.612 1.00 25.00 C ATOM 619 CG GLN A 40 24.696 2.967 7.281 1.00 25.00 C ATOM 620 CD GLN A 40 24.730 3.302 8.753 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.850 4.455 9.129 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.605 2.306 9.591 1.00 25.00 N ATOM 0 H GLN A 40 24.212 2.657 4.080 1.00 25.00 H new ATOM 0 HA GLN A 40 25.688 4.120 4.738 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.687 2.281 6.931 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.523 4.025 6.963 1.00 25.00 H new ATOM 0 HG2 GLN A 40 23.981 3.620 6.781 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.338 1.945 7.154 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.507 1.353 9.240 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.606 2.482 10.596 1.00 25.00 H new ATOM 631 N GLY A 41 27.502 2.082 3.440 1.00 25.00 N ATOM 632 CA GLY A 41 28.791 1.733 2.856 1.00 25.00 C ATOM 633 C GLY A 41 29.449 0.599 3.615 1.00 25.00 C ATOM 634 O GLY A 41 30.632 0.327 3.446 1.00 25.00 O ATOM 0 H GLY A 41 26.699 1.662 2.971 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.655 1.445 1.814 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.444 2.606 2.863 1.00 25.00 H new ATOM 638 N LEU A 42 28.684 -0.061 4.472 1.00 25.00 N ATOM 639 CA LEU A 42 29.194 -1.159 5.272 1.00 25.00 C ATOM 640 C LEU A 42 29.039 -2.440 4.460 1.00 25.00 C ATOM 641 O LEU A 42 27.974 -3.046 4.439 1.00 25.00 O ATOM 642 CB LEU A 42 28.407 -1.251 6.578 1.00 25.00 C ATOM 643 CG LEU A 42 28.423 0.004 7.457 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.361 -0.115 8.539 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.763 0.190 8.083 1.00 25.00 C ATOM 0 H LEU A 42 27.699 0.149 4.630 1.00 25.00 H new ATOM 0 HA LEU A 42 30.244 -1.003 5.520 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.371 -1.491 6.339 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.801 -2.084 7.160 1.00 25.00 H new ATOM 0 HG LEU A 42 28.210 0.871 6.831 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.375 0.779 9.162 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.380 -0.219 8.076 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.566 -0.990 9.155 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.754 1.086 8.703 1.00 25.00 H new ATOM 0 HD22 LEU A 42 29.999 -0.676 8.701 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.517 0.296 7.303 1.00 25.00 H new ATOM 657 N ASP A 43 30.095 -2.827 3.768 1.00 25.00 N ATOM 658 CA ASP A 43 30.055 -4.012 2.914 1.00 25.00 C ATOM 659 C ASP A 43 29.652 -5.245 3.716 1.00 25.00 C ATOM 660 O ASP A 43 30.211 -5.541 4.769 1.00 25.00 O ATOM 661 CB ASP A 43 31.418 -4.271 2.266 1.00 25.00 C ATOM 662 CG ASP A 43 31.648 -3.420 1.036 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.785 -3.425 0.132 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.719 -2.785 0.948 1.00 25.00 O ATOM 0 H ASP A 43 30.992 -2.342 3.777 1.00 25.00 H new ATOM 0 HA ASP A 43 29.315 -3.823 2.136 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.206 -4.073 2.993 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.493 -5.324 1.994 1.00 25.00 H new ATOM 669 N GLY A 44 28.663 -5.966 3.210 1.00 25.00 N ATOM 670 CA GLY A 44 28.212 -7.187 3.858 1.00 25.00 C ATOM 671 C GLY A 44 27.179 -6.971 4.946 1.00 25.00 C ATOM 672 O GLY A 44 26.534 -7.936 5.376 1.00 25.00 O ATOM 0 H GLY A 44 28.159 -5.728 2.356 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.793 -7.852 3.103 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.075 -7.696 4.288 1.00 25.00 H new ATOM 676 N TRP A 45 26.986 -5.740 5.389 1.00 25.00 N ATOM 677 CA TRP A 45 25.996 -5.440 6.406 1.00 25.00 C ATOM 678 C TRP A 45 24.690 -5.046 5.744 1.00 25.00 C ATOM 679 O TRP A 45 24.661 -4.215 4.850 1.00 25.00 O ATOM 680 CB TRP A 45 26.518 -4.290 7.246 1.00 25.00 C ATOM 681 CG TRP A 45 27.604 -4.721 8.169 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.942 -4.542 8.027 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.445 -5.442 9.400 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.634 -5.062 9.078 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.745 -5.634 9.951 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.334 -5.940 10.098 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.953 -6.299 11.171 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.533 -6.600 11.322 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.839 -6.775 11.845 1.00 25.00 C ATOM 0 H TRP A 45 27.506 -4.928 5.057 1.00 25.00 H new ATOM 0 HA TRP A 45 25.818 -6.313 7.034 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.890 -3.502 6.591 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.699 -3.863 7.824 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.401 -4.048 7.184 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.647 -5.031 9.196 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.338 -5.817 9.699 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.947 -6.435 11.570 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.683 -6.978 11.870 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.968 -7.289 12.786 1.00 25.00 H new ATOM 700 N TRP A 46 23.602 -5.663 6.164 1.00 25.00 N ATOM 701 CA TRP A 46 22.300 -5.426 5.547 1.00 25.00 C ATOM 702 C TRP A 46 21.361 -4.768 6.547 1.00 25.00 C ATOM 703 O TRP A 46 21.183 -5.266 7.648 1.00 25.00 O ATOM 704 CB TRP A 46 21.714 -6.752 5.045 1.00 25.00 C ATOM 705 CG TRP A 46 22.553 -7.436 3.966 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.684 -6.974 3.367 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.304 -8.719 3.353 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.162 -7.841 2.435 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.343 -8.936 2.398 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.305 -9.703 3.500 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.411 -10.104 1.609 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.377 -10.885 2.724 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.424 -11.070 1.779 1.00 25.00 C ATOM 0 H TRP A 46 23.589 -6.335 6.931 1.00 25.00 H new ATOM 0 HA TRP A 46 22.421 -4.755 4.697 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.604 -7.432 5.890 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.714 -6.569 4.651 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.148 -6.028 3.604 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.992 -7.699 1.860 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.493 -9.557 4.197 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.207 -10.244 0.893 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.629 -11.654 2.851 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.453 -11.972 1.186 1.00 25.00 H new ATOM 724 N LEU A 47 20.775 -3.644 6.169 1.00 25.00 N ATOM 725 CA LEU A 47 19.842 -2.935 7.030 1.00 25.00 C ATOM 726 C LEU A 47 18.541 -3.698 7.014 1.00 25.00 C ATOM 727 O LEU A 47 17.926 -3.851 5.962 1.00 25.00 O ATOM 728 CB LEU A 47 19.593 -1.522 6.507 1.00 25.00 C ATOM 729 CG LEU A 47 18.630 -0.649 7.317 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.063 -0.502 8.763 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.513 0.726 6.666 1.00 25.00 C ATOM 0 H LEU A 47 20.931 -3.200 5.264 1.00 25.00 H new ATOM 0 HA LEU A 47 20.251 -2.862 8.038 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.552 -1.007 6.448 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.209 -1.598 5.490 1.00 25.00 H new ATOM 0 HG LEU A 47 17.659 -1.145 7.319 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.348 0.126 9.295 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.103 -1.485 9.233 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.050 -0.041 8.802 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.827 1.345 7.244 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.494 1.200 6.638 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.134 0.616 5.650 1.00 25.00 H new ATOM 743 N CYS A 48 18.115 -4.174 8.168 1.00 25.00 N ATOM 744 CA CYS A 48 16.858 -4.888 8.276 1.00 25.00 C ATOM 745 C CYS A 48 16.050 -4.368 9.438 1.00 25.00 C ATOM 746 O CYS A 48 16.529 -3.570 10.241 1.00 25.00 O ATOM 747 CB CYS A 48 17.118 -6.393 8.452 1.00 25.00 C ATOM 748 SG CYS A 48 18.362 -7.049 7.311 1.00 25.00 S ATOM 0 H CYS A 48 18.623 -4.078 9.047 1.00 25.00 H new ATOM 0 HA CYS A 48 16.292 -4.728 7.359 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.441 -6.581 9.476 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.183 -6.935 8.308 1.00 25.00 H new ATOM 0 HG CYS A 48 19.475 -6.394 7.459 1.00 25.00 H new ATOM 754 N SER A 49 14.816 -4.824 9.524 1.00 25.00 N ATOM 755 CA SER A 49 13.929 -4.460 10.609 1.00 25.00 C ATOM 756 C SER A 49 13.338 -5.743 11.193 1.00 25.00 C ATOM 757 O SER A 49 12.882 -6.620 10.457 1.00 25.00 O ATOM 758 CB SER A 49 12.863 -3.486 10.108 1.00 25.00 C ATOM 759 OG SER A 49 11.575 -4.069 10.045 1.00 25.00 O ATOM 0 H SER A 49 14.400 -5.458 8.842 1.00 25.00 H new ATOM 0 HA SER A 49 14.467 -3.942 11.403 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.832 -2.618 10.766 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.143 -3.126 9.118 1.00 25.00 H new ATOM 0 HG SER A 49 10.931 -3.405 9.721 1.00 25.00 H new ATOM 765 N LEU A 50 13.429 -5.882 12.507 1.00 25.00 N ATOM 766 CA LEU A 50 12.960 -7.069 13.224 1.00 25.00 C ATOM 767 C LEU A 50 12.389 -6.594 14.551 1.00 25.00 C ATOM 768 O LEU A 50 12.984 -5.741 15.194 1.00 25.00 O ATOM 769 CB LEU A 50 14.130 -8.021 13.479 1.00 25.00 C ATOM 770 CG LEU A 50 13.738 -9.319 14.199 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.933 -10.495 13.301 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.545 -9.477 15.484 1.00 25.00 C ATOM 0 H LEU A 50 13.833 -5.170 13.116 1.00 25.00 H new ATOM 0 HA LEU A 50 12.207 -7.600 12.641 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.593 -8.273 12.525 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.883 -7.503 14.072 1.00 25.00 H new ATOM 0 HG LEU A 50 12.682 -9.266 14.463 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.650 -11.406 13.828 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.311 -10.382 12.413 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.980 -10.557 13.005 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.256 -10.402 15.984 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.608 -9.511 15.244 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.348 -8.632 16.143 1.00 25.00 H new ATOM 784 N HIS A 51 11.210 -7.087 14.912 1.00 25.00 N ATOM 785 CA HIS A 51 10.504 -6.681 16.146 1.00 25.00 C ATOM 786 C HIS A 51 10.281 -5.156 16.212 1.00 25.00 C ATOM 787 O HIS A 51 10.216 -4.577 17.289 1.00 25.00 O ATOM 788 CB HIS A 51 11.270 -7.145 17.406 1.00 25.00 C ATOM 789 CG HIS A 51 11.401 -8.629 17.528 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.210 -9.255 18.442 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.804 -9.638 16.834 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.072 -10.570 18.283 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.227 -10.858 17.318 1.00 25.00 N ATOM 0 H HIS A 51 10.706 -7.783 14.363 1.00 25.00 H new ATOM 0 HA HIS A 51 9.529 -7.168 16.119 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.266 -6.703 17.396 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.760 -6.762 18.290 1.00 25.00 H new ATOM 0 HD2 HIS A 51 10.103 -9.502 16.024 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.591 -11.310 18.875 1.00 25.00 H new ATOM 0 HE2 HIS A 51 10.945 -11.784 16.997 1.00 25.00 H new ATOM 801 N GLY A 52 10.168 -4.515 15.050 1.00 25.00 N ATOM 802 CA GLY A 52 9.968 -3.076 15.003 1.00 25.00 C ATOM 803 C GLY A 52 11.225 -2.261 15.275 1.00 25.00 C ATOM 804 O GLY A 52 11.152 -1.044 15.410 1.00 25.00 O ATOM 0 H GLY A 52 10.212 -4.969 14.138 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.579 -2.807 14.021 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.206 -2.802 15.733 1.00 25.00 H new ATOM 808 N ARG A 53 12.374 -2.920 15.335 1.00 25.00 N ATOM 809 CA ARG A 53 13.651 -2.263 15.580 1.00 25.00 C ATOM 810 C ARG A 53 14.438 -2.407 14.300 1.00 25.00 C ATOM 811 O ARG A 53 14.405 -3.449 13.667 1.00 25.00 O ATOM 812 CB ARG A 53 14.371 -2.961 16.743 1.00 25.00 C ATOM 813 CG ARG A 53 15.219 -2.055 17.643 1.00 25.00 C ATOM 814 CD ARG A 53 16.581 -1.741 17.042 1.00 25.00 C ATOM 815 NE ARG A 53 17.466 -1.113 18.027 1.00 25.00 N ATOM 816 CZ ARG A 53 18.737 -0.781 17.820 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.341 -0.941 16.674 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.414 -0.271 18.804 1.00 25.00 N ATOM 0 H ARG A 53 12.447 -3.930 15.215 1.00 25.00 H new ATOM 0 HA ARG A 53 13.532 -1.214 15.851 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.624 -3.459 17.361 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.015 -3.739 16.332 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.682 -1.124 17.823 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.356 -2.537 18.611 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.038 -2.659 16.672 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.459 -1.078 16.185 1.00 25.00 H new ATOM 0 HE ARG A 53 17.075 -0.914 18.948 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.835 -1.338 15.882 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.319 -0.669 16.570 1.00 25.00 H new ATOM 0 HH21 ARG A 53 18.969 -0.133 19.712 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.390 -0.009 18.669 1.00 25.00 H new ATOM 832 N GLN A 54 15.123 -1.353 13.906 1.00 25.00 N ATOM 833 CA GLN A 54 15.931 -1.366 12.691 1.00 25.00 C ATOM 834 C GLN A 54 17.397 -1.511 13.055 1.00 25.00 C ATOM 835 O GLN A 54 17.823 -1.020 14.096 1.00 25.00 O ATOM 836 CB GLN A 54 15.731 -0.060 11.926 1.00 25.00 C ATOM 837 CG GLN A 54 14.935 -0.225 10.663 1.00 25.00 C ATOM 838 CD GLN A 54 14.700 1.088 9.940 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.578 1.416 9.596 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.744 1.839 9.718 1.00 25.00 N ATOM 0 H GLN A 54 15.140 -0.467 14.411 1.00 25.00 H new ATOM 0 HA GLN A 54 15.624 -2.205 12.067 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.227 0.658 12.573 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.706 0.361 11.680 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.457 -0.913 9.997 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.974 -0.680 10.902 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.668 1.531 10.021 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.636 2.734 9.242 1.00 25.00 H new ATOM 849 N GLY A 55 18.170 -2.155 12.192 1.00 25.00 N ATOM 850 CA GLY A 55 19.600 -2.266 12.413 1.00 25.00 C ATOM 851 C GLY A 55 20.323 -3.055 11.341 1.00 25.00 C ATOM 852 O GLY A 55 19.680 -3.665 10.480 1.00 25.00 O ATOM 0 H GLY A 55 17.833 -2.604 11.341 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.029 -1.265 12.467 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.774 -2.739 13.379 1.00 25.00 H new ATOM 856 N ILE A 56 21.646 -3.040 11.377 1.00 25.00 N ATOM 857 CA ILE A 56 22.463 -3.770 10.414 1.00 25.00 C ATOM 858 C ILE A 56 22.533 -5.237 10.828 1.00 25.00 C ATOM 859 O ILE A 56 22.305 -5.586 11.986 1.00 25.00 O ATOM 860 CB ILE A 56 23.902 -3.161 10.275 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.681 -3.289 11.604 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.793 -1.682 9.860 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.110 -2.765 11.568 1.00 25.00 C ATOM 0 H ILE A 56 22.185 -2.523 12.072 1.00 25.00 H new ATOM 0 HA ILE A 56 21.994 -3.685 9.434 1.00 25.00 H new ATOM 0 HB ILE A 56 24.448 -3.713 9.510 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.134 -2.755 12.381 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.703 -4.339 11.895 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.792 -1.257 9.763 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.273 -1.610 8.905 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.237 -1.131 10.618 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.572 -2.899 12.546 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.680 -3.315 10.819 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.103 -1.705 11.313 1.00 25.00 H new ATOM 875 N VAL A 57 22.807 -6.091 9.860 1.00 25.00 N ATOM 876 CA VAL A 57 22.854 -7.535 10.069 1.00 25.00 C ATOM 877 C VAL A 57 23.981 -8.103 9.211 1.00 25.00 C ATOM 878 O VAL A 57 24.118 -7.713 8.056 1.00 25.00 O ATOM 879 CB VAL A 57 21.531 -8.189 9.595 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.586 -9.692 9.643 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.341 -7.659 10.403 1.00 25.00 C ATOM 0 H VAL A 57 23.005 -5.806 8.901 1.00 25.00 H new ATOM 0 HA VAL A 57 23.008 -7.739 11.128 1.00 25.00 H new ATOM 0 HB VAL A 57 21.394 -7.910 8.550 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.636 -10.102 9.301 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.388 -10.048 8.996 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.774 -10.017 10.666 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.424 -8.132 10.053 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.487 -7.888 11.459 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.265 -6.579 10.273 1.00 25.00 H new ATOM 891 N PRO A 58 24.769 -9.056 9.734 1.00 25.00 N ATOM 892 CA PRO A 58 25.782 -9.687 8.891 1.00 25.00 C ATOM 893 C PRO A 58 25.129 -10.574 7.823 1.00 25.00 C ATOM 894 O PRO A 58 24.554 -11.621 8.128 1.00 25.00 O ATOM 895 CB PRO A 58 26.602 -10.498 9.900 1.00 25.00 C ATOM 896 CG PRO A 58 25.637 -10.839 10.969 1.00 25.00 C ATOM 897 CD PRO A 58 24.741 -9.644 11.086 1.00 25.00 C ATOM 0 HA PRO A 58 26.392 -8.981 8.327 1.00 25.00 H new ATOM 0 HB2 PRO A 58 27.021 -11.394 9.442 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.438 -9.918 10.290 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.069 -11.734 10.715 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.148 -11.042 11.910 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.730 -9.928 11.379 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.105 -8.942 11.836 1.00 25.00 H new ATOM 905 N GLY A 59 25.204 -10.153 6.571 1.00 25.00 N ATOM 906 CA GLY A 59 24.573 -10.878 5.474 1.00 25.00 C ATOM 907 C GLY A 59 25.054 -12.310 5.322 1.00 25.00 C ATOM 908 O GLY A 59 24.342 -13.155 4.801 1.00 25.00 O ATOM 0 H GLY A 59 25.698 -9.308 6.285 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.494 -10.883 5.628 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.760 -10.342 4.543 1.00 25.00 H new ATOM 912 N ASN A 60 26.237 -12.608 5.838 1.00 25.00 N ATOM 913 CA ASN A 60 26.784 -13.967 5.793 1.00 25.00 C ATOM 914 C ASN A 60 25.951 -14.959 6.630 1.00 25.00 C ATOM 915 O ASN A 60 26.071 -16.173 6.466 1.00 25.00 O ATOM 916 CB ASN A 60 28.234 -13.971 6.299 1.00 25.00 C ATOM 917 CG ASN A 60 29.128 -14.902 5.505 1.00 25.00 C ATOM 918 OD1 ASN A 60 30.162 -14.499 5.024 1.00 25.00 O ATOM 919 ND2 ASN A 60 28.727 -16.134 5.360 1.00 25.00 N ATOM 0 H ASN A 60 26.843 -11.928 6.296 1.00 25.00 H new ATOM 0 HA ASN A 60 26.748 -14.291 4.753 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.635 -12.959 6.249 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.248 -14.268 7.348 1.00 25.00 H new ATOM 0 HD21 ASN A 60 29.292 -16.795 4.826 1.00 25.00 H new ATOM 0 HD22 ASN A 60 27.849 -16.437 5.781 1.00 25.00 H new ATOM 926 N ARG A 61 25.101 -14.444 7.514 1.00 25.00 N ATOM 927 CA ARG A 61 24.237 -15.277 8.347 1.00 25.00 C ATOM 928 C ARG A 61 22.780 -15.106 7.946 1.00 25.00 C ATOM 929 O ARG A 61 21.878 -15.595 8.634 1.00 25.00 O ATOM 930 CB ARG A 61 24.408 -14.909 9.826 1.00 25.00 C ATOM 931 CG ARG A 61 25.826 -15.101 10.360 1.00 25.00 C ATOM 932 CD ARG A 61 25.875 -14.825 11.858 1.00 25.00 C ATOM 933 NE ARG A 61 27.237 -15.010 12.391 1.00 25.00 N ATOM 934 CZ ARG A 61 27.580 -14.922 13.672 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.715 -14.661 14.611 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.823 -15.112 14.004 1.00 25.00 N ATOM 0 H ARG A 61 24.991 -13.442 7.673 1.00 25.00 H new ATOM 0 HA ARG A 61 24.525 -16.318 8.200 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.117 -13.868 9.965 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.723 -15.514 10.421 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.161 -16.119 10.161 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.511 -14.432 9.839 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.541 -13.806 12.054 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.186 -15.492 12.376 1.00 25.00 H new ATOM 0 HE ARG A 61 27.977 -15.223 11.722 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.734 -14.516 14.374 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.019 -14.602 15.583 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.516 -15.324 13.286 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.105 -15.048 14.982 1.00 25.00 H new ATOM 950 N LEU A 62 22.539 -14.427 6.834 1.00 25.00 N ATOM 951 CA LEU A 62 21.180 -14.133 6.395 1.00 25.00 C ATOM 952 C LEU A 62 20.896 -14.614 4.985 1.00 25.00 C ATOM 953 O LEU A 62 21.757 -14.584 4.116 1.00 25.00 O ATOM 954 CB LEU A 62 20.948 -12.625 6.460 1.00 25.00 C ATOM 955 CG LEU A 62 19.517 -12.200 6.797 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.081 -12.649 8.150 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.382 -10.698 6.678 1.00 25.00 C ATOM 0 H LEU A 62 23.268 -14.068 6.217 1.00 25.00 H new ATOM 0 HA LEU A 62 20.504 -14.667 7.063 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.621 -12.202 7.206 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.223 -12.189 5.499 1.00 25.00 H new ATOM 0 HG LEU A 62 18.862 -12.690 6.077 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.058 -12.318 8.331 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.125 -13.737 8.204 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.740 -12.221 8.905 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.360 -10.404 6.920 1.00 25.00 H new ATOM 0 HD22 LEU A 62 20.072 -10.215 7.370 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.616 -10.391 5.659 1.00 25.00 H new ATOM 969 N LYS A 63 19.668 -15.056 4.756 1.00 25.00 N ATOM 970 CA LYS A 63 19.244 -15.515 3.433 1.00 25.00 C ATOM 971 C LYS A 63 18.052 -14.751 2.942 1.00 25.00 C ATOM 972 O LYS A 63 16.977 -14.833 3.520 1.00 25.00 O ATOM 973 CB LYS A 63 18.889 -17.000 3.477 1.00 25.00 C ATOM 974 CG LYS A 63 18.417 -17.561 2.131 1.00 25.00 C ATOM 975 CD LYS A 63 18.555 -19.079 2.058 1.00 25.00 C ATOM 976 CE LYS A 63 20.009 -19.451 1.838 1.00 25.00 C ATOM 977 NZ LYS A 63 20.243 -20.933 1.727 1.00 25.00 N ATOM 0 H LYS A 63 18.942 -15.108 5.470 1.00 25.00 H new ATOM 0 HA LYS A 63 20.077 -15.347 2.750 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.761 -17.563 3.810 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.107 -17.156 4.220 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.375 -17.285 1.970 1.00 25.00 H new ATOM 0 HG3 LYS A 63 18.996 -17.106 1.327 1.00 25.00 H new ATOM 0 HD2 LYS A 63 18.189 -19.532 2.980 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.943 -19.471 1.246 1.00 25.00 H new ATOM 0 HE2 LYS A 63 20.365 -18.967 0.929 1.00 25.00 H new ATOM 0 HE3 LYS A 63 20.604 -19.059 2.663 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 21.256 -21.114 1.578 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 19.933 -21.400 2.603 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 19.702 -21.311 0.923 1.00 25.00 H new ATOM 991 N ILE A 64 18.233 -14.077 1.826 1.00 25.00 N ATOM 992 CA ILE A 64 17.143 -13.365 1.182 1.00 25.00 C ATOM 993 C ILE A 64 16.188 -14.413 0.640 1.00 25.00 C ATOM 994 O ILE A 64 16.598 -15.323 -0.086 1.00 25.00 O ATOM 995 CB ILE A 64 17.665 -12.484 0.024 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.732 -11.494 0.528 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.513 -11.728 -0.632 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.267 -10.512 1.630 1.00 25.00 C ATOM 0 H ILE A 64 19.128 -14.006 1.342 1.00 25.00 H new ATOM 0 HA ILE A 64 16.648 -12.707 1.896 1.00 25.00 H new ATOM 0 HB ILE A 64 18.124 -13.137 -0.719 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.580 -12.064 0.909 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.094 -10.914 -0.321 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.898 -11.113 -1.445 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.789 -12.440 -1.027 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.028 -11.090 0.107 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.095 -9.862 1.911 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.442 -9.907 1.254 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.936 -11.075 2.503 1.00 25.00 H new ATOM 1010 N LEU A 65 14.926 -14.310 1.006 1.00 25.00 N ATOM 1011 CA LEU A 65 13.920 -15.264 0.559 1.00 25.00 C ATOM 1012 C LEU A 65 13.291 -14.734 -0.727 1.00 25.00 C ATOM 1013 O LEU A 65 12.158 -14.293 -0.748 1.00 25.00 O ATOM 1014 CB LEU A 65 12.879 -15.489 1.657 1.00 25.00 C ATOM 1015 CG LEU A 65 13.450 -15.963 3.008 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.294 -16.123 3.994 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.246 -17.294 2.882 1.00 25.00 C ATOM 0 H LEU A 65 14.568 -13.574 1.614 1.00 25.00 H new ATOM 0 HA LEU A 65 14.375 -16.233 0.353 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.334 -14.559 1.816 1.00 25.00 H new ATOM 0 HB3 LEU A 65 12.156 -16.226 1.306 1.00 25.00 H new ATOM 0 HG LEU A 65 14.156 -15.214 3.366 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.680 -16.458 4.956 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.788 -15.166 4.120 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.588 -16.859 3.610 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.627 -17.584 3.861 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.589 -18.076 2.502 1.00 25.00 H new ATOM 0 HD23 LEU A 65 15.080 -17.155 2.195 1.00 25.00 H new ATOM 1327 N PRO A 89 29.291 -18.524 10.574 1.00 25.00 N ATOM 1328 CA PRO A 89 30.459 -17.842 10.007 1.00 25.00 C ATOM 1329 C PRO A 89 30.738 -16.493 10.689 1.00 25.00 C ATOM 1330 O PRO A 89 29.873 -15.950 11.393 1.00 25.00 O ATOM 1331 CB PRO A 89 30.050 -17.647 8.546 1.00 25.00 C ATOM 1332 CG PRO A 89 28.586 -17.505 8.598 1.00 25.00 C ATOM 1333 CD PRO A 89 28.145 -18.480 9.646 1.00 25.00 C ATOM 0 HA PRO A 89 31.382 -18.407 10.138 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.521 -16.764 8.115 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.346 -18.498 7.932 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.296 -16.487 8.858 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.132 -17.729 7.633 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.235 -18.148 10.146 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.935 -19.461 9.220 1.00 25.00 H new ATOM 1341 N PRO A 90 31.947 -15.932 10.494 1.00 25.00 N ATOM 1342 CA PRO A 90 32.246 -14.652 11.146 1.00 25.00 C ATOM 1343 C PRO A 90 31.475 -13.481 10.530 1.00 25.00 C ATOM 1344 O PRO A 90 30.923 -13.581 9.431 1.00 25.00 O ATOM 1345 CB PRO A 90 33.757 -14.511 10.931 1.00 25.00 C ATOM 1346 CG PRO A 90 34.007 -15.205 9.649 1.00 25.00 C ATOM 1347 CD PRO A 90 33.091 -16.403 9.684 1.00 25.00 C ATOM 0 HA PRO A 90 31.950 -14.635 12.195 1.00 25.00 H new ATOM 0 HB2 PRO A 90 34.056 -13.464 10.882 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.320 -14.966 11.746 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.785 -14.560 8.799 1.00 25.00 H new ATOM 0 HG3 PRO A 90 35.051 -15.506 9.557 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.780 -16.701 8.683 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.576 -17.267 10.137 1.00 25.00 H new ATOM 1355 N LYS A 91 31.436 -12.372 11.256 1.00 25.00 N ATOM 1356 CA LYS A 91 30.788 -11.151 10.778 1.00 25.00 C ATOM 1357 C LYS A 91 31.750 -10.400 9.858 1.00 25.00 C ATOM 1358 O LYS A 91 32.967 -10.472 10.048 1.00 25.00 O ATOM 1359 CB LYS A 91 30.466 -10.239 11.968 1.00 25.00 C ATOM 1360 CG LYS A 91 29.457 -10.818 12.941 1.00 25.00 C ATOM 1361 CD LYS A 91 29.194 -9.828 14.055 1.00 25.00 C ATOM 1362 CE LYS A 91 28.138 -10.332 15.017 1.00 25.00 C ATOM 1363 NZ LYS A 91 27.837 -9.282 16.031 1.00 25.00 N ATOM 0 H LYS A 91 31.848 -12.290 12.186 1.00 25.00 H new ATOM 0 HA LYS A 91 29.874 -11.417 10.247 1.00 25.00 H new ATOM 0 HB2 LYS A 91 31.389 -10.023 12.506 1.00 25.00 H new ATOM 0 HB3 LYS A 91 30.087 -9.289 11.591 1.00 25.00 H new ATOM 0 HG2 LYS A 91 28.528 -11.050 12.421 1.00 25.00 H new ATOM 0 HG3 LYS A 91 29.832 -11.754 13.355 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.120 -9.638 14.598 1.00 25.00 H new ATOM 0 HD3 LYS A 91 28.873 -8.877 13.629 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.231 -10.594 14.472 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.486 -11.239 15.511 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 26.990 -9.553 16.570 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.644 -9.185 16.680 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.667 -8.375 15.551 1.00 25.00 H new ATOM 1377 N PRO A 92 31.221 -9.620 8.901 1.00 25.00 N ATOM 1378 CA PRO A 92 32.116 -8.734 8.146 1.00 25.00 C ATOM 1379 C PRO A 92 32.620 -7.605 9.066 1.00 25.00 C ATOM 1380 O PRO A 92 32.053 -7.382 10.144 1.00 25.00 O ATOM 1381 CB PRO A 92 31.219 -8.216 7.018 1.00 25.00 C ATOM 1382 CG PRO A 92 29.862 -8.278 7.559 1.00 25.00 C ATOM 1383 CD PRO A 92 29.814 -9.437 8.496 1.00 25.00 C ATOM 0 HA PRO A 92 33.013 -9.217 7.759 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.486 -7.197 6.737 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.316 -8.830 6.122 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.612 -7.353 8.078 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.133 -8.401 6.758 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.174 -9.232 9.354 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.418 -10.329 8.010 1.00 25.00 H new