USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 574 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 3 SER OG : rot 33:sc= 0.153 USER MOD Single : A 4 TYR OH : rot 110:sc= -0.0098 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.09) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.921 USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= -0.399 (180deg=-2.16!) USER MOD Single : A 29 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.6!) USER MOD Single : A 31 HIS : no HE2:sc= -1.09! C(o=-1.1!,f=-8.8!) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 1.28 (180deg=0.0976) USER MOD Single : A 35 ASN : amide:sc= -2.26 K(o=-2.3,f=-3.1!) USER MOD Single : A 38 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.034) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.141 (180deg=-0.57) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0317 (180deg=-0.302) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.17) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= 0.926 K(o=0.93,f=-6!) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0.621 (180deg=0.619) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.773 2.702 8.701 1.00 0.00 N ATOM 31 CA SER A 3 -7.412 2.325 9.108 1.00 0.00 C ATOM 32 C SER A 3 -6.406 2.460 7.961 1.00 0.00 C ATOM 33 O SER A 3 -5.210 2.250 8.147 1.00 0.00 O ATOM 34 CB SER A 3 -7.408 0.900 9.664 1.00 0.00 C ATOM 35 OG SER A 3 -8.383 0.759 10.683 1.00 0.00 O ATOM 0 HA SER A 3 -7.098 3.017 9.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.608 0.190 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.421 0.662 10.062 1.00 0.00 H new ATOM 0 HG SER A 3 -9.148 1.340 10.487 1.00 0.00 H new ATOM 41 N TYR A 4 -6.898 2.839 6.789 1.00 0.00 N ATOM 42 CA TYR A 4 -6.068 2.990 5.598 1.00 0.00 C ATOM 43 C TYR A 4 -4.999 4.054 5.813 1.00 0.00 C ATOM 44 O TYR A 4 -3.867 3.922 5.353 1.00 0.00 O ATOM 45 CB TYR A 4 -6.973 3.320 4.403 1.00 0.00 C ATOM 46 CG TYR A 4 -6.613 4.573 3.634 1.00 0.00 C ATOM 47 CD1 TYR A 4 -5.671 4.548 2.615 1.00 0.00 C ATOM 48 CD2 TYR A 4 -7.240 5.775 3.922 1.00 0.00 C ATOM 49 CE1 TYR A 4 -5.364 5.692 1.905 1.00 0.00 C ATOM 50 CE2 TYR A 4 -6.935 6.920 3.221 1.00 0.00 C ATOM 51 CZ TYR A 4 -5.999 6.875 2.213 1.00 0.00 C ATOM 52 OH TYR A 4 -5.702 8.016 1.509 1.00 0.00 O ATOM 0 H TYR A 4 -7.884 3.051 6.636 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.542 2.058 5.392 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.956 2.476 3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -7.997 3.418 4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.171 3.621 2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.979 5.814 4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.630 5.659 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.428 7.850 3.461 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.466 8.261 0.946 1.00 0.00 H new ATOM 62 N TYR A 5 -5.372 5.099 6.529 1.00 0.00 N ATOM 63 CA TYR A 5 -4.437 6.152 6.903 1.00 0.00 C ATOM 64 C TYR A 5 -3.251 5.585 7.684 1.00 0.00 C ATOM 65 O TYR A 5 -2.114 6.007 7.488 1.00 0.00 O ATOM 66 CB TYR A 5 -5.156 7.236 7.718 1.00 0.00 C ATOM 67 CG TYR A 5 -6.259 6.705 8.617 1.00 0.00 C ATOM 68 CD1 TYR A 5 -7.564 6.589 8.148 1.00 0.00 C ATOM 69 CD2 TYR A 5 -5.997 6.311 9.923 1.00 0.00 C ATOM 70 CE1 TYR A 5 -8.570 6.093 8.954 1.00 0.00 C ATOM 71 CE2 TYR A 5 -7.002 5.818 10.735 1.00 0.00 C ATOM 72 CZ TYR A 5 -8.284 5.708 10.244 1.00 0.00 C ATOM 73 OH TYR A 5 -9.286 5.204 11.041 1.00 0.00 O ATOM 0 H TYR A 5 -6.323 5.244 6.867 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.048 6.603 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.423 7.761 8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.582 7.969 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.794 6.892 7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.992 6.391 10.311 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.577 6.008 8.573 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.782 5.521 11.750 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.921 4.978 11.922 1.00 0.00 H new ATOM 83 N GLU A 6 -3.525 4.624 8.560 1.00 0.00 N ATOM 84 CA GLU A 6 -2.483 3.982 9.355 1.00 0.00 C ATOM 85 C GLU A 6 -1.645 3.026 8.510 1.00 0.00 C ATOM 86 O GLU A 6 -0.416 3.018 8.597 1.00 0.00 O ATOM 87 CB GLU A 6 -3.110 3.213 10.514 1.00 0.00 C ATOM 88 CG GLU A 6 -3.860 4.098 11.488 1.00 0.00 C ATOM 89 CD GLU A 6 -2.942 4.895 12.386 1.00 0.00 C ATOM 90 OE1 GLU A 6 -2.446 5.954 11.953 1.00 0.00 O ATOM 91 OE2 GLU A 6 -2.721 4.468 13.539 1.00 0.00 O ATOM 0 H GLU A 6 -4.465 4.271 8.738 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.830 4.765 9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.794 2.463 10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.327 2.677 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.499 4.783 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.515 3.480 12.103 1.00 0.00 H new ATOM 98 N ILE A 7 -2.318 2.230 7.685 1.00 0.00 N ATOM 99 CA ILE A 7 -1.649 1.184 6.921 1.00 0.00 C ATOM 100 C ILE A 7 -0.782 1.765 5.807 1.00 0.00 C ATOM 101 O ILE A 7 0.257 1.200 5.462 1.00 0.00 O ATOM 102 CB ILE A 7 -2.658 0.150 6.344 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.571 0.764 5.276 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.501 -0.442 7.461 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.071 0.572 3.860 1.00 0.00 C ATOM 0 H ILE A 7 -3.324 2.289 7.529 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.996 0.660 7.619 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.074 -0.637 5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.564 0.323 5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.677 1.831 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.203 -1.164 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.852 -0.941 8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.053 0.354 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.770 1.033 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.091 1.038 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.992 -0.493 3.643 1.00 0.00 H new ATOM 117 N LEU A 8 -1.195 2.900 5.253 1.00 0.00 N ATOM 118 CA LEU A 8 -0.464 3.509 4.155 1.00 0.00 C ATOM 119 C LEU A 8 0.462 4.605 4.664 1.00 0.00 C ATOM 120 O LEU A 8 1.667 4.384 4.820 1.00 0.00 O ATOM 121 CB LEU A 8 -1.426 4.075 3.102 1.00 0.00 C ATOM 122 CG LEU A 8 -0.755 4.690 1.872 1.00 0.00 C ATOM 123 CD1 LEU A 8 0.045 3.639 1.115 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.795 5.333 0.969 1.00 0.00 C ATOM 0 H LEU A 8 -2.027 3.412 5.546 1.00 0.00 H new ATOM 0 HA LEU A 8 0.141 2.733 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.090 3.276 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.050 4.834 3.574 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.064 5.464 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.514 4.096 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.815 3.228 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.621 2.839 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.303 5.766 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.511 4.578 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.318 6.116 1.517 1.00 0.00 H new ATOM 136 N ASP A 9 -0.114 5.769 4.950 1.00 0.00 N ATOM 137 CA ASP A 9 0.658 6.945 5.350 1.00 0.00 C ATOM 138 C ASP A 9 -0.266 8.137 5.552 1.00 0.00 C ATOM 139 O ASP A 9 -0.172 8.857 6.547 1.00 0.00 O ATOM 140 CB ASP A 9 1.706 7.290 4.279 1.00 0.00 C ATOM 141 CG ASP A 9 2.651 8.404 4.697 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.233 9.577 4.711 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.829 8.109 4.986 1.00 0.00 O ATOM 0 H ASP A 9 -1.121 5.925 4.912 1.00 0.00 H new ATOM 0 HA ASP A 9 1.166 6.717 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.288 6.397 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.195 7.582 3.362 1.00 0.00 H new ATOM 148 N VAL A 10 -1.192 8.303 4.621 1.00 0.00 N ATOM 149 CA VAL A 10 -2.026 9.500 4.564 1.00 0.00 C ATOM 150 C VAL A 10 -3.510 9.159 4.686 1.00 0.00 C ATOM 151 O VAL A 10 -3.927 8.035 4.400 1.00 0.00 O ATOM 152 CB VAL A 10 -1.795 10.276 3.244 1.00 0.00 C ATOM 153 CG1 VAL A 10 -0.369 10.799 3.165 1.00 0.00 C ATOM 154 CG2 VAL A 10 -2.108 9.400 2.038 1.00 0.00 C ATOM 0 H VAL A 10 -1.388 7.621 3.889 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.737 10.125 5.409 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.474 11.129 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.231 11.340 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.180 11.470 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.328 9.962 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.938 9.967 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.460 8.523 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.150 9.082 2.080 1.00 0.00 H new ATOM 164 N PRO A 11 -4.323 10.134 5.137 1.00 0.00 N ATOM 165 CA PRO A 11 -5.775 9.981 5.245 1.00 0.00 C ATOM 166 C PRO A 11 -6.478 10.213 3.906 1.00 0.00 C ATOM 167 O PRO A 11 -5.854 10.602 2.921 1.00 0.00 O ATOM 168 CB PRO A 11 -6.152 11.071 6.243 1.00 0.00 C ATOM 169 CG PRO A 11 -5.159 12.155 6.001 1.00 0.00 C ATOM 170 CD PRO A 11 -3.881 11.471 5.589 1.00 0.00 C ATOM 0 HA PRO A 11 -6.070 8.977 5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.171 11.422 6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.100 10.706 7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.506 12.834 5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.008 12.753 6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.376 12.016 4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.180 11.400 6.420 1.00 0.00 H new ATOM 178 N ARG A 12 -7.790 9.985 3.891 1.00 0.00 N ATOM 179 CA ARG A 12 -8.579 10.044 2.658 1.00 0.00 C ATOM 180 C ARG A 12 -8.886 11.473 2.234 1.00 0.00 C ATOM 181 O ARG A 12 -9.415 11.707 1.149 1.00 0.00 O ATOM 182 CB ARG A 12 -9.888 9.272 2.822 1.00 0.00 C ATOM 183 CG ARG A 12 -10.533 9.416 4.191 1.00 0.00 C ATOM 184 CD ARG A 12 -11.869 8.693 4.253 1.00 0.00 C ATOM 185 NE ARG A 12 -12.886 9.358 3.443 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.494 8.801 2.393 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.157 7.586 1.984 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.433 9.466 1.740 1.00 0.00 N ATOM 0 H ARG A 12 -8.333 9.756 4.723 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.973 9.585 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.594 9.611 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.699 8.215 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.865 9.016 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.678 10.472 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.743 7.667 3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.206 8.641 5.288 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.149 10.310 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.427 7.068 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.628 7.169 1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.694 10.406 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.896 9.039 0.938 1.00 0.00 H new ATOM 202 N SER A 13 -8.574 12.418 3.101 1.00 0.00 N ATOM 203 CA SER A 13 -8.742 13.831 2.792 1.00 0.00 C ATOM 204 C SER A 13 -7.735 14.278 1.726 1.00 0.00 C ATOM 205 O SER A 13 -7.864 15.354 1.141 1.00 0.00 O ATOM 206 CB SER A 13 -8.568 14.658 4.066 1.00 0.00 C ATOM 207 OG SER A 13 -9.346 14.119 5.123 1.00 0.00 O ATOM 0 H SER A 13 -8.200 12.234 4.032 1.00 0.00 H new ATOM 0 HA SER A 13 -9.745 13.987 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.517 14.675 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.864 15.690 3.879 1.00 0.00 H new ATOM 0 HG SER A 13 -9.221 14.660 5.930 1.00 0.00 H new ATOM 213 N ALA A 14 -6.734 13.440 1.484 1.00 0.00 N ATOM 214 CA ALA A 14 -5.725 13.712 0.474 1.00 0.00 C ATOM 215 C ALA A 14 -6.203 13.253 -0.899 1.00 0.00 C ATOM 216 O ALA A 14 -6.905 12.249 -1.018 1.00 0.00 O ATOM 217 CB ALA A 14 -4.419 13.025 0.845 1.00 0.00 C ATOM 0 H ALA A 14 -6.601 12.559 1.980 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.554 14.788 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.669 13.234 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.072 13.399 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.580 11.949 0.910 1.00 0.00 H new ATOM 223 N SER A 15 -5.837 14.005 -1.929 1.00 0.00 N ATOM 224 CA SER A 15 -6.209 13.667 -3.294 1.00 0.00 C ATOM 225 C SER A 15 -5.410 12.465 -3.790 1.00 0.00 C ATOM 226 O SER A 15 -4.380 12.129 -3.204 1.00 0.00 O ATOM 227 CB SER A 15 -5.977 14.869 -4.209 1.00 0.00 C ATOM 228 OG SER A 15 -6.575 16.040 -3.676 1.00 0.00 O ATOM 0 H SER A 15 -5.281 14.856 -1.843 1.00 0.00 H new ATOM 0 HA SER A 15 -7.267 13.404 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.907 15.030 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.390 14.663 -5.197 1.00 0.00 H new ATOM 0 HG SER A 15 -6.411 16.795 -4.279 1.00 0.00 H new ATOM 234 N ALA A 16 -5.868 11.844 -4.868 1.00 0.00 N ATOM 235 CA ALA A 16 -5.280 10.592 -5.356 1.00 0.00 C ATOM 236 C ALA A 16 -3.765 10.696 -5.536 1.00 0.00 C ATOM 237 O ALA A 16 -3.026 9.773 -5.191 1.00 0.00 O ATOM 238 CB ALA A 16 -5.936 10.184 -6.667 1.00 0.00 C ATOM 0 H ALA A 16 -6.649 12.185 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.465 9.828 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.493 9.253 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.005 10.040 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.781 10.966 -7.410 1.00 0.00 H new ATOM 244 N ASP A 17 -3.308 11.835 -6.046 1.00 0.00 N ATOM 245 CA ASP A 17 -1.884 12.050 -6.301 1.00 0.00 C ATOM 246 C ASP A 17 -1.069 11.962 -5.013 1.00 0.00 C ATOM 247 O ASP A 17 0.070 11.494 -5.021 1.00 0.00 O ATOM 248 CB ASP A 17 -1.653 13.411 -6.943 1.00 0.00 C ATOM 249 CG ASP A 17 -0.230 13.592 -7.433 1.00 0.00 C ATOM 250 OD1 ASP A 17 0.058 13.212 -8.586 1.00 0.00 O ATOM 251 OD2 ASP A 17 0.605 14.117 -6.668 1.00 0.00 O ATOM 0 H ASP A 17 -3.903 12.626 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.555 11.264 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.340 13.535 -7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.887 14.193 -6.221 1.00 0.00 H new ATOM 256 N ASP A 18 -1.653 12.412 -3.909 1.00 0.00 N ATOM 257 CA ASP A 18 -0.957 12.393 -2.627 1.00 0.00 C ATOM 258 C ASP A 18 -0.794 10.959 -2.145 1.00 0.00 C ATOM 259 O ASP A 18 0.253 10.585 -1.617 1.00 0.00 O ATOM 260 CB ASP A 18 -1.702 13.221 -1.586 1.00 0.00 C ATOM 261 CG ASP A 18 -0.831 13.559 -0.392 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.185 14.268 -0.575 1.00 0.00 O ATOM 263 OD2 ASP A 18 -1.162 13.150 0.733 1.00 0.00 O ATOM 0 H ASP A 18 -2.599 12.792 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 18 0.029 12.837 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.059 14.143 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.581 12.672 -1.248 1.00 0.00 H new ATOM 268 N ILE A 19 -1.833 10.154 -2.343 1.00 0.00 N ATOM 269 CA ILE A 19 -1.750 8.721 -2.078 1.00 0.00 C ATOM 270 C ILE A 19 -0.696 8.089 -2.979 1.00 0.00 C ATOM 271 O ILE A 19 0.084 7.236 -2.547 1.00 0.00 O ATOM 272 CB ILE A 19 -3.110 8.008 -2.286 1.00 0.00 C ATOM 273 CG1 ILE A 19 -4.034 8.273 -1.107 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.939 6.509 -2.496 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.687 9.628 -1.167 1.00 0.00 C ATOM 0 H ILE A 19 -2.741 10.468 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.470 8.598 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.559 8.418 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.806 7.504 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.466 8.190 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.916 6.048 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.323 6.333 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.455 6.072 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.334 9.759 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.920 10.402 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.281 9.706 -2.078 1.00 0.00 H new ATOM 287 N LYS A 20 -0.675 8.528 -4.235 1.00 0.00 N ATOM 288 CA LYS A 20 0.329 8.086 -5.187 1.00 0.00 C ATOM 289 C LYS A 20 1.732 8.393 -4.668 1.00 0.00 C ATOM 290 O LYS A 20 2.627 7.553 -4.745 1.00 0.00 O ATOM 291 CB LYS A 20 0.087 8.730 -6.557 1.00 0.00 C ATOM 292 CG LYS A 20 1.138 8.377 -7.600 1.00 0.00 C ATOM 293 CD LYS A 20 0.600 8.522 -9.019 1.00 0.00 C ATOM 294 CE LYS A 20 0.101 9.927 -9.299 1.00 0.00 C ATOM 295 NZ LYS A 20 1.194 10.927 -9.261 1.00 0.00 N ATOM 0 H LYS A 20 -1.348 9.194 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 20 0.248 7.006 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.892 8.422 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.057 9.813 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.007 9.023 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.476 7.353 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.385 8.268 -9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.212 7.812 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.378 9.952 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.659 10.194 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.804 11.874 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.647 10.911 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.899 10.699 -9.991 1.00 0.00 H new ATOM 309 N LYS A 21 1.908 9.587 -4.117 1.00 0.00 N ATOM 310 CA LYS A 21 3.174 9.955 -3.484 1.00 0.00 C ATOM 311 C LYS A 21 3.471 9.075 -2.270 1.00 0.00 C ATOM 312 O LYS A 21 4.625 8.732 -2.012 1.00 0.00 O ATOM 313 CB LYS A 21 3.157 11.422 -3.057 1.00 0.00 C ATOM 314 CG LYS A 21 3.332 12.414 -4.197 1.00 0.00 C ATOM 315 CD LYS A 21 4.792 12.557 -4.618 1.00 0.00 C ATOM 316 CE LYS A 21 5.301 11.360 -5.409 1.00 0.00 C ATOM 317 NZ LYS A 21 6.701 11.560 -5.866 1.00 0.00 N ATOM 0 H LYS A 21 1.195 10.316 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 21 3.961 9.802 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.213 11.630 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.950 11.584 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.739 12.090 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.947 13.387 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.904 13.458 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.410 12.688 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.244 10.464 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.656 11.193 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.014 10.725 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.750 12.401 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.320 11.694 -5.041 1.00 0.00 H new ATOM 331 N ALA A 22 2.427 8.707 -1.533 1.00 0.00 N ATOM 332 CA ALA A 22 2.589 7.935 -0.306 1.00 0.00 C ATOM 333 C ALA A 22 3.165 6.547 -0.579 1.00 0.00 C ATOM 334 O ALA A 22 4.112 6.120 0.087 1.00 0.00 O ATOM 335 CB ALA A 22 1.259 7.825 0.427 1.00 0.00 C ATOM 0 H ALA A 22 1.459 8.931 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 22 3.302 8.465 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.394 7.246 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.899 8.822 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.531 7.327 -0.213 1.00 0.00 H new ATOM 341 N TYR A 23 2.613 5.833 -1.555 1.00 0.00 N ATOM 342 CA TYR A 23 3.157 4.534 -1.896 1.00 0.00 C ATOM 343 C TYR A 23 4.514 4.701 -2.561 1.00 0.00 C ATOM 344 O TYR A 23 5.414 3.898 -2.350 1.00 0.00 O ATOM 345 CB TYR A 23 2.193 3.666 -2.728 1.00 0.00 C ATOM 346 CG TYR A 23 1.869 4.142 -4.131 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.801 4.035 -5.149 1.00 0.00 C ATOM 348 CD2 TYR A 23 0.611 4.637 -4.444 1.00 0.00 C ATOM 349 CE1 TYR A 23 2.499 4.413 -6.442 1.00 0.00 C ATOM 350 CE2 TYR A 23 0.300 5.024 -5.734 1.00 0.00 C ATOM 351 CZ TYR A 23 1.247 4.909 -6.728 1.00 0.00 C ATOM 352 OH TYR A 23 0.937 5.289 -8.013 1.00 0.00 O ATOM 0 H TYR A 23 1.809 6.127 -2.109 1.00 0.00 H new ATOM 0 HA TYR A 23 3.293 3.979 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.617 2.664 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.257 3.577 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.785 3.648 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.136 4.721 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.239 4.320 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.681 5.415 -5.962 1.00 0.00 H new ATOM 0 HH TYR A 23 0.014 5.616 -8.044 1.00 0.00 H new ATOM 362 N ARG A 24 4.647 5.748 -3.372 1.00 0.00 N ATOM 363 CA ARG A 24 5.878 6.030 -4.081 1.00 0.00 C ATOM 364 C ARG A 24 7.060 6.190 -3.128 1.00 0.00 C ATOM 365 O ARG A 24 8.123 5.620 -3.356 1.00 0.00 O ATOM 366 CB ARG A 24 5.690 7.312 -4.883 1.00 0.00 C ATOM 367 CG ARG A 24 5.449 7.097 -6.365 1.00 0.00 C ATOM 368 CD ARG A 24 6.662 6.492 -7.032 1.00 0.00 C ATOM 369 NE ARG A 24 6.578 6.568 -8.490 1.00 0.00 N ATOM 370 CZ ARG A 24 6.825 5.548 -9.305 1.00 0.00 C ATOM 371 NH1 ARG A 24 7.118 4.357 -8.805 1.00 0.00 N ATOM 372 NH2 ARG A 24 6.772 5.717 -10.623 1.00 0.00 N ATOM 0 H ARG A 24 3.901 6.420 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 24 6.101 5.189 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.848 7.865 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.575 7.937 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.589 6.442 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.206 8.048 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.559 7.010 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.761 5.450 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 24 6.313 7.460 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.154 4.223 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.308 3.574 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.541 6.632 -11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.962 4.932 -11.246 1.00 0.00 H new ATOM 386 N ARG A 25 6.865 6.945 -2.054 1.00 0.00 N ATOM 387 CA ARG A 25 7.924 7.145 -1.065 1.00 0.00 C ATOM 388 C ARG A 25 8.230 5.837 -0.336 1.00 0.00 C ATOM 389 O ARG A 25 9.392 5.520 -0.068 1.00 0.00 O ATOM 390 CB ARG A 25 7.542 8.246 -0.068 1.00 0.00 C ATOM 391 CG ARG A 25 6.385 7.882 0.846 1.00 0.00 C ATOM 392 CD ARG A 25 5.994 9.034 1.754 1.00 0.00 C ATOM 393 NE ARG A 25 5.406 10.151 1.013 1.00 0.00 N ATOM 394 CZ ARG A 25 4.365 10.861 1.450 1.00 0.00 C ATOM 395 NH1 ARG A 25 3.816 10.577 2.626 1.00 0.00 N ATOM 396 NH2 ARG A 25 3.891 11.871 0.727 1.00 0.00 N ATOM 0 H ARG A 25 5.991 7.427 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 25 8.824 7.465 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.412 8.485 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.283 9.149 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.526 7.587 0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.660 7.019 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.282 8.680 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.874 9.383 2.294 1.00 0.00 H new ATOM 0 HE ARG A 25 5.815 10.400 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.191 9.817 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.020 11.119 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.324 12.106 -0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.095 12.411 1.066 1.00 0.00 H new ATOM 410 N LYS A 26 7.184 5.069 -0.036 1.00 0.00 N ATOM 411 CA LYS A 26 7.346 3.766 0.599 1.00 0.00 C ATOM 412 C LYS A 26 8.088 2.810 -0.337 1.00 0.00 C ATOM 413 O LYS A 26 8.933 2.023 0.090 1.00 0.00 O ATOM 414 CB LYS A 26 5.975 3.197 0.985 1.00 0.00 C ATOM 415 CG LYS A 26 6.035 1.815 1.618 1.00 0.00 C ATOM 416 CD LYS A 26 4.657 1.308 2.030 1.00 0.00 C ATOM 417 CE LYS A 26 4.241 1.801 3.415 1.00 0.00 C ATOM 418 NZ LYS A 26 4.015 3.271 3.460 1.00 0.00 N ATOM 0 H LYS A 26 6.215 5.328 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 26 7.939 3.883 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.491 3.883 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.348 3.151 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.482 1.114 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.685 1.846 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.920 1.633 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.657 0.218 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.328 1.288 3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.012 1.534 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.295 3.490 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.904 3.752 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.688 3.601 2.529 1.00 0.00 H new ATOM 432 N ALA A 27 7.774 2.912 -1.621 1.00 0.00 N ATOM 433 CA ALA A 27 8.429 2.119 -2.653 1.00 0.00 C ATOM 434 C ALA A 27 9.921 2.425 -2.715 1.00 0.00 C ATOM 435 O ALA A 27 10.736 1.545 -2.975 1.00 0.00 O ATOM 436 CB ALA A 27 7.787 2.388 -4.007 1.00 0.00 C ATOM 0 H ALA A 27 7.059 3.546 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 27 8.306 1.066 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.284 1.790 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.731 2.121 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.886 3.445 -4.253 1.00 0.00 H new ATOM 442 N LEU A 28 10.259 3.689 -2.494 1.00 0.00 N ATOM 443 CA LEU A 28 11.646 4.140 -2.510 1.00 0.00 C ATOM 444 C LEU A 28 12.422 3.598 -1.312 1.00 0.00 C ATOM 445 O LEU A 28 13.603 3.271 -1.429 1.00 0.00 O ATOM 446 CB LEU A 28 11.715 5.670 -2.537 1.00 0.00 C ATOM 447 CG LEU A 28 11.910 6.296 -3.924 1.00 0.00 C ATOM 448 CD1 LEU A 28 10.857 5.802 -4.905 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.876 7.813 -3.825 1.00 0.00 C ATOM 0 H LEU A 28 9.583 4.428 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 28 12.109 3.750 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.796 6.066 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.534 5.991 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 28 12.886 5.989 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.022 6.263 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.928 4.719 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.865 6.070 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.016 8.245 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.914 8.130 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.674 8.153 -3.165 1.00 0.00 H new ATOM 461 N GLN A 29 11.753 3.503 -0.167 1.00 0.00 N ATOM 462 CA GLN A 29 12.382 3.006 1.054 1.00 0.00 C ATOM 463 C GLN A 29 12.850 1.558 0.902 1.00 0.00 C ATOM 464 O GLN A 29 13.901 1.180 1.418 1.00 0.00 O ATOM 465 CB GLN A 29 11.414 3.114 2.232 1.00 0.00 C ATOM 466 CG GLN A 29 11.209 4.537 2.714 1.00 0.00 C ATOM 467 CD GLN A 29 10.138 4.646 3.784 1.00 0.00 C ATOM 468 OE1 GLN A 29 8.970 4.895 3.486 1.00 0.00 O ATOM 469 NE2 GLN A 29 10.522 4.440 5.033 1.00 0.00 N ATOM 0 H GLN A 29 10.773 3.764 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 29 13.258 3.626 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.451 2.694 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.789 2.509 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.150 4.922 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.936 5.167 1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.500 4.236 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.840 4.485 5.790 1.00 0.00 H new ATOM 478 N TRP A 30 12.070 0.756 0.194 1.00 0.00 N ATOM 479 CA TRP A 30 12.415 -0.643 -0.034 1.00 0.00 C ATOM 480 C TRP A 30 12.836 -0.875 -1.482 1.00 0.00 C ATOM 481 O TRP A 30 12.796 -2.000 -1.977 1.00 0.00 O ATOM 482 CB TRP A 30 11.252 -1.566 0.339 1.00 0.00 C ATOM 483 CG TRP A 30 11.026 -1.667 1.815 1.00 0.00 C ATOM 484 CD1 TRP A 30 11.931 -2.070 2.754 1.00 0.00 C ATOM 485 CD2 TRP A 30 9.814 -1.376 2.522 1.00 0.00 C ATOM 486 NE1 TRP A 30 11.360 -2.042 4.002 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.061 -1.619 3.887 1.00 0.00 C ATOM 488 CE3 TRP A 30 8.547 -0.928 2.138 1.00 0.00 C ATOM 489 CZ2 TRP A 30 9.090 -1.426 4.865 1.00 0.00 C ATOM 490 CZ3 TRP A 30 7.584 -0.742 3.112 1.00 0.00 C ATOM 491 CH2 TRP A 30 7.859 -0.992 4.459 1.00 0.00 C ATOM 0 H TRP A 30 11.192 1.048 -0.234 1.00 0.00 H new ATOM 0 HA TRP A 30 13.261 -0.883 0.611 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.341 -1.202 -0.137 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.445 -2.561 -0.061 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.948 -2.368 2.545 1.00 0.00 H new ATOM 0 HE1 TRP A 30 11.826 -2.295 4.873 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.325 -0.731 1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 9.301 -1.612 5.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 6.601 -0.397 2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 30 7.083 -0.839 5.194 1.00 0.00 H new ATOM 502 N HIS A 31 13.226 0.193 -2.164 1.00 0.00 N ATOM 503 CA HIS A 31 13.615 0.096 -3.562 1.00 0.00 C ATOM 504 C HIS A 31 14.964 -0.608 -3.647 1.00 0.00 C ATOM 505 O HIS A 31 15.821 -0.364 -2.803 1.00 0.00 O ATOM 506 CB HIS A 31 13.686 1.497 -4.182 1.00 0.00 C ATOM 507 CG HIS A 31 13.384 1.538 -5.652 1.00 0.00 C ATOM 508 ND1 HIS A 31 14.344 1.771 -6.606 1.00 0.00 N ATOM 509 CD2 HIS A 31 12.218 1.391 -6.325 1.00 0.00 C ATOM 510 CE1 HIS A 31 13.791 1.767 -7.801 1.00 0.00 C ATOM 511 NE2 HIS A 31 12.501 1.539 -7.660 1.00 0.00 N ATOM 0 H HIS A 31 13.281 1.133 -1.773 1.00 0.00 H new ATOM 0 HA HIS A 31 12.877 -0.480 -4.119 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.985 2.148 -3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.683 1.905 -4.016 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.335 1.924 -6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.248 1.194 -5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.307 1.924 -8.737 1.00 0.00 H new ATOM 520 N PRO A 32 15.174 -1.488 -4.642 1.00 0.00 N ATOM 521 CA PRO A 32 16.317 -2.416 -4.656 1.00 0.00 C ATOM 522 C PRO A 32 17.661 -1.721 -4.472 1.00 0.00 C ATOM 523 O PRO A 32 18.541 -2.233 -3.775 1.00 0.00 O ATOM 524 CB PRO A 32 16.243 -3.069 -6.046 1.00 0.00 C ATOM 525 CG PRO A 32 15.269 -2.250 -6.822 1.00 0.00 C ATOM 526 CD PRO A 32 14.316 -1.683 -5.815 1.00 0.00 C ATOM 0 HA PRO A 32 16.256 -3.123 -3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.221 -3.077 -6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.915 -4.106 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.776 -1.456 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.744 -2.860 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.875 -0.746 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.492 -2.366 -5.606 1.00 0.00 H new ATOM 534 N ASP A 33 17.797 -0.539 -5.054 1.00 0.00 N ATOM 535 CA ASP A 33 19.046 0.216 -4.987 1.00 0.00 C ATOM 536 C ASP A 33 19.321 0.700 -3.568 1.00 0.00 C ATOM 537 O ASP A 33 20.471 0.906 -3.179 1.00 0.00 O ATOM 538 CB ASP A 33 18.993 1.410 -5.944 1.00 0.00 C ATOM 539 CG ASP A 33 17.848 2.356 -5.640 1.00 0.00 C ATOM 540 OD1 ASP A 33 16.687 1.915 -5.690 1.00 0.00 O ATOM 541 OD2 ASP A 33 18.100 3.541 -5.346 1.00 0.00 O ATOM 0 H ASP A 33 17.056 -0.077 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 33 19.857 -0.448 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.934 1.957 -5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.896 1.046 -6.967 1.00 0.00 H new ATOM 546 N LYS A 34 18.259 0.873 -2.799 1.00 0.00 N ATOM 547 CA LYS A 34 18.355 1.330 -1.424 1.00 0.00 C ATOM 548 C LYS A 34 18.063 0.189 -0.462 1.00 0.00 C ATOM 549 O LYS A 34 17.821 0.402 0.726 1.00 0.00 O ATOM 550 CB LYS A 34 17.382 2.484 -1.205 1.00 0.00 C ATOM 551 CG LYS A 34 17.695 3.681 -2.083 1.00 0.00 C ATOM 552 CD LYS A 34 19.074 4.220 -1.767 1.00 0.00 C ATOM 553 CE LYS A 34 19.754 4.822 -2.988 1.00 0.00 C ATOM 554 NZ LYS A 34 18.821 5.629 -3.817 1.00 0.00 N ATOM 0 H LYS A 34 17.304 0.700 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 34 19.369 1.679 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.367 2.143 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.412 2.787 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.642 3.394 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.948 4.460 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.995 4.978 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.693 3.416 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.584 5.450 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.177 4.022 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.363 6.313 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.288 5.000 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.159 6.139 -3.198 1.00 0.00 H new ATOM 568 N ASN A 35 18.091 -1.024 -0.987 1.00 0.00 N ATOM 569 CA ASN A 35 17.850 -2.210 -0.182 1.00 0.00 C ATOM 570 C ASN A 35 19.162 -2.962 0.016 1.00 0.00 C ATOM 571 O ASN A 35 19.918 -3.162 -0.938 1.00 0.00 O ATOM 572 CB ASN A 35 16.811 -3.104 -0.868 1.00 0.00 C ATOM 573 CG ASN A 35 16.417 -4.295 -0.021 1.00 0.00 C ATOM 574 OD1 ASN A 35 15.530 -4.200 0.824 1.00 0.00 O ATOM 575 ND2 ASN A 35 17.064 -5.428 -0.247 1.00 0.00 N ATOM 0 H ASN A 35 18.279 -1.214 -1.971 1.00 0.00 H new ATOM 0 HA ASN A 35 17.460 -1.919 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.923 -2.514 -1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.211 -3.456 -1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.832 -6.264 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.794 -5.465 -0.958 1.00 0.00 H new ATOM 582 N PRO A 36 19.446 -3.393 1.258 1.00 0.00 N ATOM 583 CA PRO A 36 20.713 -4.035 1.607 1.00 0.00 C ATOM 584 C PRO A 36 20.758 -5.524 1.242 1.00 0.00 C ATOM 585 O PRO A 36 20.593 -5.890 0.076 1.00 0.00 O ATOM 586 CB PRO A 36 20.780 -3.832 3.119 1.00 0.00 C ATOM 587 CG PRO A 36 19.358 -3.876 3.556 1.00 0.00 C ATOM 588 CD PRO A 36 18.551 -3.281 2.430 1.00 0.00 C ATOM 0 HA PRO A 36 21.556 -3.611 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.369 -4.613 3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.245 -2.880 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 36 19.045 -4.900 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 36 19.217 -3.310 4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.619 -3.824 2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.285 -2.244 2.633 1.00 0.00 H new ATOM 596 N ASP A 37 20.970 -6.387 2.231 1.00 0.00 N ATOM 597 CA ASP A 37 21.175 -7.808 1.959 1.00 0.00 C ATOM 598 C ASP A 37 19.891 -8.601 2.129 1.00 0.00 C ATOM 599 O ASP A 37 19.821 -9.772 1.765 1.00 0.00 O ATOM 600 CB ASP A 37 22.257 -8.385 2.871 1.00 0.00 C ATOM 601 CG ASP A 37 23.629 -7.822 2.577 1.00 0.00 C ATOM 602 OD1 ASP A 37 24.261 -8.267 1.597 1.00 0.00 O ATOM 603 OD2 ASP A 37 24.081 -6.922 3.318 1.00 0.00 O ATOM 0 H ASP A 37 21.004 -6.132 3.218 1.00 0.00 H new ATOM 0 HA ASP A 37 21.497 -7.892 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 37 21.999 -8.179 3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.282 -9.469 2.758 1.00 0.00 H new ATOM 608 N ASN A 38 18.867 -7.963 2.664 1.00 0.00 N ATOM 609 CA ASN A 38 17.576 -8.612 2.817 1.00 0.00 C ATOM 610 C ASN A 38 16.645 -8.162 1.707 1.00 0.00 C ATOM 611 O ASN A 38 16.096 -7.067 1.754 1.00 0.00 O ATOM 612 CB ASN A 38 16.963 -8.292 4.184 1.00 0.00 C ATOM 613 CG ASN A 38 17.759 -8.873 5.340 1.00 0.00 C ATOM 614 OD1 ASN A 38 17.819 -8.287 6.420 1.00 0.00 O ATOM 615 ND2 ASN A 38 18.360 -10.035 5.132 1.00 0.00 N ATOM 0 H ASN A 38 18.902 -7.000 2.999 1.00 0.00 H new ATOM 0 HA ASN A 38 17.718 -9.691 2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.897 -7.210 4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.945 -8.680 4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.895 -10.474 5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.288 -10.491 4.223 1.00 0.00 H new ATOM 622 N LYS A 39 16.476 -9.008 0.703 1.00 0.00 N ATOM 623 CA LYS A 39 15.701 -8.642 -0.473 1.00 0.00 C ATOM 624 C LYS A 39 14.256 -9.078 -0.338 1.00 0.00 C ATOM 625 O LYS A 39 13.362 -8.436 -0.882 1.00 0.00 O ATOM 626 CB LYS A 39 16.292 -9.260 -1.744 1.00 0.00 C ATOM 627 CG LYS A 39 17.631 -8.678 -2.168 1.00 0.00 C ATOM 628 CD LYS A 39 18.783 -9.190 -1.320 1.00 0.00 C ATOM 629 CE LYS A 39 20.123 -8.800 -1.919 1.00 0.00 C ATOM 630 NZ LYS A 39 20.315 -9.390 -3.272 1.00 0.00 N ATOM 0 H LYS A 39 16.864 -9.951 0.678 1.00 0.00 H new ATOM 0 HA LYS A 39 15.742 -7.556 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.410 -10.333 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.580 -9.131 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.816 -8.925 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.589 -7.591 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.702 -8.787 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.722 -10.275 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.191 -7.714 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.926 -9.131 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.331 -9.430 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.919 -10.351 -3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.830 -8.802 -3.979 1.00 0.00 H new ATOM 644 N GLU A 40 14.038 -10.158 0.399 1.00 0.00 N ATOM 645 CA GLU A 40 12.712 -10.752 0.524 1.00 0.00 C ATOM 646 C GLU A 40 11.697 -9.723 0.990 1.00 0.00 C ATOM 647 O GLU A 40 10.605 -9.616 0.436 1.00 0.00 O ATOM 648 CB GLU A 40 12.752 -11.906 1.518 1.00 0.00 C ATOM 649 CG GLU A 40 11.406 -12.564 1.747 1.00 0.00 C ATOM 650 CD GLU A 40 11.432 -13.532 2.907 1.00 0.00 C ATOM 651 OE1 GLU A 40 11.574 -13.073 4.058 1.00 0.00 O ATOM 652 OE2 GLU A 40 11.321 -14.753 2.675 1.00 0.00 O ATOM 0 H GLU A 40 14.766 -10.644 0.923 1.00 0.00 H new ATOM 0 HA GLU A 40 12.412 -11.120 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.457 -12.657 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.133 -11.539 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.656 -11.796 1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.103 -13.092 0.843 1.00 0.00 H new ATOM 659 N PHE A 41 12.083 -8.946 1.986 1.00 0.00 N ATOM 660 CA PHE A 41 11.209 -7.923 2.535 1.00 0.00 C ATOM 661 C PHE A 41 10.872 -6.873 1.487 1.00 0.00 C ATOM 662 O PHE A 41 9.720 -6.474 1.357 1.00 0.00 O ATOM 663 CB PHE A 41 11.858 -7.263 3.752 1.00 0.00 C ATOM 664 CG PHE A 41 12.200 -8.231 4.844 1.00 0.00 C ATOM 665 CD1 PHE A 41 11.228 -8.666 5.727 1.00 0.00 C ATOM 666 CD2 PHE A 41 13.494 -8.704 4.989 1.00 0.00 C ATOM 667 CE1 PHE A 41 11.538 -9.556 6.734 1.00 0.00 C ATOM 668 CE2 PHE A 41 13.811 -9.595 5.995 1.00 0.00 C ATOM 669 CZ PHE A 41 12.831 -10.022 6.869 1.00 0.00 C ATOM 0 H PHE A 41 12.998 -9.004 2.433 1.00 0.00 H new ATOM 0 HA PHE A 41 10.282 -8.404 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.765 -6.748 3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.183 -6.504 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.215 -8.305 5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.263 -8.372 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.770 -9.888 7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 41 14.823 -9.957 6.098 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.075 -10.719 7.657 1.00 0.00 H new ATOM 679 N ALA A 42 11.873 -6.454 0.723 1.00 0.00 N ATOM 680 CA ALA A 42 11.673 -5.435 -0.300 1.00 0.00 C ATOM 681 C ALA A 42 10.663 -5.899 -1.344 1.00 0.00 C ATOM 682 O ALA A 42 9.759 -5.155 -1.714 1.00 0.00 O ATOM 683 CB ALA A 42 12.997 -5.087 -0.965 1.00 0.00 C ATOM 0 H ALA A 42 12.829 -6.803 0.792 1.00 0.00 H new ATOM 0 HA ALA A 42 11.276 -4.543 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.832 -4.325 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.692 -4.707 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.417 -5.979 -1.429 1.00 0.00 H new ATOM 689 N GLU A 43 10.802 -7.141 -1.790 1.00 0.00 N ATOM 690 CA GLU A 43 9.909 -7.690 -2.804 1.00 0.00 C ATOM 691 C GLU A 43 8.516 -7.894 -2.228 1.00 0.00 C ATOM 692 O GLU A 43 7.515 -7.558 -2.857 1.00 0.00 O ATOM 693 CB GLU A 43 10.443 -9.021 -3.330 1.00 0.00 C ATOM 694 CG GLU A 43 11.942 -9.029 -3.526 1.00 0.00 C ATOM 695 CD GLU A 43 12.440 -10.308 -4.163 1.00 0.00 C ATOM 696 OE1 GLU A 43 12.310 -11.378 -3.539 1.00 0.00 O ATOM 697 OE2 GLU A 43 12.953 -10.250 -5.303 1.00 0.00 O ATOM 0 H GLU A 43 11.523 -7.786 -1.467 1.00 0.00 H new ATOM 0 HA GLU A 43 9.857 -6.979 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.170 -9.814 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.958 -9.249 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.227 -8.182 -4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.431 -8.894 -2.561 1.00 0.00 H new ATOM 704 N LYS A 44 8.464 -8.441 -1.019 1.00 0.00 N ATOM 705 CA LYS A 44 7.187 -8.722 -0.368 1.00 0.00 C ATOM 706 C LYS A 44 6.425 -7.438 -0.068 1.00 0.00 C ATOM 707 O LYS A 44 5.214 -7.368 -0.271 1.00 0.00 O ATOM 708 CB LYS A 44 7.391 -9.532 0.916 1.00 0.00 C ATOM 709 CG LYS A 44 7.877 -10.953 0.667 1.00 0.00 C ATOM 710 CD LYS A 44 6.862 -11.762 -0.126 1.00 0.00 C ATOM 711 CE LYS A 44 7.396 -13.146 -0.466 1.00 0.00 C ATOM 712 NZ LYS A 44 8.598 -13.083 -1.344 1.00 0.00 N ATOM 0 H LYS A 44 9.285 -8.698 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 44 6.591 -9.317 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.111 -9.016 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.451 -9.569 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.823 -10.925 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.070 -11.444 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.941 -11.857 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.610 -11.232 -1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.647 -13.673 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.616 -13.724 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.777 -14.021 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.435 -12.396 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.423 -12.788 -0.783 1.00 0.00 H new ATOM 726 N LYS A 45 7.134 -6.417 0.395 1.00 0.00 N ATOM 727 CA LYS A 45 6.503 -5.141 0.706 1.00 0.00 C ATOM 728 C LYS A 45 6.101 -4.425 -0.573 1.00 0.00 C ATOM 729 O LYS A 45 5.079 -3.743 -0.615 1.00 0.00 O ATOM 730 CB LYS A 45 7.416 -4.265 1.566 1.00 0.00 C ATOM 731 CG LYS A 45 7.704 -4.880 2.924 1.00 0.00 C ATOM 732 CD LYS A 45 6.441 -5.439 3.537 1.00 0.00 C ATOM 733 CE LYS A 45 6.714 -6.178 4.830 1.00 0.00 C ATOM 734 NZ LYS A 45 5.478 -6.791 5.388 1.00 0.00 N ATOM 0 H LYS A 45 8.140 -6.446 0.563 1.00 0.00 H new ATOM 0 HA LYS A 45 5.602 -5.339 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.356 -4.099 1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.952 -3.289 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.445 -5.673 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.133 -4.128 3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.740 -4.626 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.963 -6.115 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.458 -6.955 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.139 -5.489 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.712 -7.316 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.790 -6.044 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.067 -7.442 4.689 1.00 0.00 H new ATOM 748 N PHE A 46 6.907 -4.590 -1.617 1.00 0.00 N ATOM 749 CA PHE A 46 6.574 -4.065 -2.937 1.00 0.00 C ATOM 750 C PHE A 46 5.271 -4.695 -3.430 1.00 0.00 C ATOM 751 O PHE A 46 4.435 -4.030 -4.040 1.00 0.00 O ATOM 752 CB PHE A 46 7.711 -4.338 -3.928 1.00 0.00 C ATOM 753 CG PHE A 46 7.588 -3.587 -5.221 1.00 0.00 C ATOM 754 CD1 PHE A 46 8.021 -2.273 -5.315 1.00 0.00 C ATOM 755 CD2 PHE A 46 7.045 -4.190 -6.343 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.913 -1.577 -6.504 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.935 -3.500 -7.534 1.00 0.00 C ATOM 758 CZ PHE A 46 7.371 -2.191 -7.615 1.00 0.00 C ATOM 0 H PHE A 46 7.798 -5.085 -1.574 1.00 0.00 H new ATOM 0 HA PHE A 46 6.440 -2.986 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.659 -4.078 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.744 -5.406 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.447 -1.788 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.703 -5.213 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.252 -0.553 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.509 -3.983 -8.401 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.288 -1.650 -8.546 1.00 0.00 H new ATOM 768 N LYS A 47 5.111 -5.984 -3.157 1.00 0.00 N ATOM 769 CA LYS A 47 3.871 -6.686 -3.466 1.00 0.00 C ATOM 770 C LYS A 47 2.720 -6.127 -2.636 1.00 0.00 C ATOM 771 O LYS A 47 1.639 -5.853 -3.162 1.00 0.00 O ATOM 772 CB LYS A 47 4.018 -8.184 -3.190 1.00 0.00 C ATOM 773 CG LYS A 47 4.972 -8.899 -4.130 1.00 0.00 C ATOM 774 CD LYS A 47 4.391 -9.023 -5.528 1.00 0.00 C ATOM 775 CE LYS A 47 5.311 -9.819 -6.435 1.00 0.00 C ATOM 776 NZ LYS A 47 4.649 -10.192 -7.710 1.00 0.00 N ATOM 0 H LYS A 47 5.826 -6.566 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 47 3.654 -6.538 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.364 -8.321 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.037 -8.653 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.916 -8.355 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.194 -9.892 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.416 -9.508 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.232 -8.030 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.205 -9.233 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.637 -10.722 -5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.312 -10.734 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.810 -10.773 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.360 -9.331 -8.216 1.00 0.00 H new ATOM 790 N GLU A 48 2.971 -5.940 -1.343 1.00 0.00 N ATOM 791 CA GLU A 48 1.952 -5.462 -0.415 1.00 0.00 C ATOM 792 C GLU A 48 1.491 -4.054 -0.770 1.00 0.00 C ATOM 793 O GLU A 48 0.300 -3.770 -0.763 1.00 0.00 O ATOM 794 CB GLU A 48 2.479 -5.483 1.022 1.00 0.00 C ATOM 795 CG GLU A 48 2.604 -6.878 1.608 1.00 0.00 C ATOM 796 CD GLU A 48 3.248 -6.881 2.980 1.00 0.00 C ATOM 797 OE1 GLU A 48 2.948 -5.979 3.790 1.00 0.00 O ATOM 798 OE2 GLU A 48 4.071 -7.782 3.253 1.00 0.00 O ATOM 0 H GLU A 48 3.879 -6.114 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 48 1.098 -6.134 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.455 -4.999 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.814 -4.893 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.614 -7.329 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.193 -7.499 0.933 1.00 0.00 H new ATOM 805 N VAL A 49 2.431 -3.177 -1.088 1.00 0.00 N ATOM 806 CA VAL A 49 2.084 -1.811 -1.446 1.00 0.00 C ATOM 807 C VAL A 49 1.326 -1.774 -2.772 1.00 0.00 C ATOM 808 O VAL A 49 0.405 -0.982 -2.932 1.00 0.00 O ATOM 809 CB VAL A 49 3.318 -0.873 -1.505 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.313 -1.326 -2.557 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.892 0.563 -1.769 1.00 0.00 C ATOM 0 H VAL A 49 3.430 -3.384 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 49 1.437 -1.438 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 49 3.810 -0.921 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.164 -0.645 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.657 -2.333 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.833 -1.325 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.774 1.203 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.364 0.617 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.233 0.900 -0.969 1.00 0.00 H new ATOM 821 N ALA A 50 1.702 -2.640 -3.709 1.00 0.00 N ATOM 822 CA ALA A 50 1.070 -2.653 -5.027 1.00 0.00 C ATOM 823 C ALA A 50 -0.410 -3.019 -4.941 1.00 0.00 C ATOM 824 O ALA A 50 -1.267 -2.344 -5.526 1.00 0.00 O ATOM 825 CB ALA A 50 1.796 -3.620 -5.950 1.00 0.00 C ATOM 0 H ALA A 50 2.436 -3.337 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 50 1.139 -1.645 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.315 -3.620 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.836 -3.310 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.758 -4.624 -5.527 1.00 0.00 H new ATOM 831 N GLU A 51 -0.717 -4.052 -4.174 1.00 0.00 N ATOM 832 CA GLU A 51 -2.098 -4.480 -4.007 1.00 0.00 C ATOM 833 C GLU A 51 -2.860 -3.462 -3.176 1.00 0.00 C ATOM 834 O GLU A 51 -4.028 -3.162 -3.435 1.00 0.00 O ATOM 835 CB GLU A 51 -2.162 -5.862 -3.348 1.00 0.00 C ATOM 836 CG GLU A 51 -1.500 -5.932 -1.979 1.00 0.00 C ATOM 837 CD GLU A 51 -1.536 -7.332 -1.394 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.622 -8.132 -1.698 1.00 0.00 O ATOM 839 OE2 GLU A 51 -2.484 -7.650 -0.642 1.00 0.00 O ATOM 0 H GLU A 51 -0.034 -4.608 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.561 -4.551 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.207 -6.157 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.686 -6.589 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.465 -5.601 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.002 -5.243 -1.299 1.00 0.00 H new ATOM 846 N ALA A 52 -2.169 -2.904 -2.198 1.00 0.00 N ATOM 847 CA ALA A 52 -2.776 -1.976 -1.277 1.00 0.00 C ATOM 848 C ALA A 52 -3.024 -0.621 -1.926 1.00 0.00 C ATOM 849 O ALA A 52 -4.116 -0.085 -1.817 1.00 0.00 O ATOM 850 CB ALA A 52 -1.913 -1.851 -0.034 1.00 0.00 C ATOM 0 H ALA A 52 -1.180 -3.083 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.752 -2.364 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.375 -1.149 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.820 -2.826 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.924 -1.488 -0.313 1.00 0.00 H new ATOM 856 N TYR A 53 -2.044 -0.084 -2.647 1.00 0.00 N ATOM 857 CA TYR A 53 -2.206 1.229 -3.256 1.00 0.00 C ATOM 858 C TYR A 53 -3.333 1.180 -4.272 1.00 0.00 C ATOM 859 O TYR A 53 -4.087 2.142 -4.435 1.00 0.00 O ATOM 860 CB TYR A 53 -0.893 1.738 -3.891 1.00 0.00 C ATOM 861 CG TYR A 53 -0.657 1.374 -5.353 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.285 2.069 -6.386 1.00 0.00 C ATOM 863 CD2 TYR A 53 0.221 0.358 -5.698 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.048 1.749 -7.711 1.00 0.00 C ATOM 865 CE2 TYR A 53 0.466 0.038 -7.019 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.171 0.732 -8.021 1.00 0.00 C ATOM 867 OH TYR A 53 0.079 0.409 -9.337 1.00 0.00 O ATOM 0 H TYR A 53 -1.144 -0.530 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.465 1.943 -2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.870 2.824 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.059 1.352 -3.305 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.968 2.871 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.724 -0.194 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.548 2.293 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.156 -0.755 -7.265 1.00 0.00 H new ATOM 0 HH TYR A 53 0.722 -0.330 -9.376 1.00 0.00 H new ATOM 877 N GLU A 54 -3.450 0.037 -4.937 1.00 0.00 N ATOM 878 CA GLU A 54 -4.506 -0.172 -5.909 1.00 0.00 C ATOM 879 C GLU A 54 -5.878 -0.087 -5.231 1.00 0.00 C ATOM 880 O GLU A 54 -6.754 0.658 -5.672 1.00 0.00 O ATOM 881 CB GLU A 54 -4.320 -1.533 -6.582 1.00 0.00 C ATOM 882 CG GLU A 54 -4.480 -1.501 -8.093 1.00 0.00 C ATOM 883 CD GLU A 54 -5.919 -1.344 -8.536 1.00 0.00 C ATOM 884 OE1 GLU A 54 -6.624 -2.367 -8.645 1.00 0.00 O ATOM 885 OE2 GLU A 54 -6.346 -0.196 -8.791 1.00 0.00 O ATOM 0 H GLU A 54 -2.823 -0.759 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.455 0.608 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.328 -1.914 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.042 -2.235 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.890 -0.678 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.075 -2.421 -8.515 1.00 0.00 H new ATOM 892 N VAL A 55 -6.056 -0.835 -4.146 1.00 0.00 N ATOM 893 CA VAL A 55 -7.335 -0.855 -3.439 1.00 0.00 C ATOM 894 C VAL A 55 -7.608 0.450 -2.670 1.00 0.00 C ATOM 895 O VAL A 55 -8.735 0.936 -2.656 1.00 0.00 O ATOM 896 CB VAL A 55 -7.457 -2.074 -2.486 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.435 -2.027 -1.363 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.866 -2.176 -1.925 1.00 0.00 C ATOM 0 H VAL A 55 -5.337 -1.432 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.096 -0.949 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.248 -2.967 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.559 -2.900 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.430 -2.026 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.582 -1.121 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.931 -3.037 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.103 -1.269 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.576 -2.296 -2.744 1.00 0.00 H new ATOM 908 N LEU A 56 -6.575 1.025 -2.051 1.00 0.00 N ATOM 909 CA LEU A 56 -6.749 2.182 -1.163 1.00 0.00 C ATOM 910 C LEU A 56 -7.164 3.431 -1.922 1.00 0.00 C ATOM 911 O LEU A 56 -7.776 4.336 -1.351 1.00 0.00 O ATOM 912 CB LEU A 56 -5.457 2.489 -0.398 1.00 0.00 C ATOM 913 CG LEU A 56 -4.891 1.367 0.450 1.00 0.00 C ATOM 914 CD1 LEU A 56 -3.490 1.739 0.894 1.00 0.00 C ATOM 915 CD2 LEU A 56 -5.785 1.092 1.641 1.00 0.00 C ATOM 0 H LEU A 56 -5.609 0.711 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.542 1.912 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.697 2.789 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.639 3.347 0.249 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.846 0.453 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.077 0.936 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.859 1.891 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.526 2.658 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.360 0.283 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.863 1.991 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.777 0.804 1.293 1.00 0.00 H new ATOM 927 N SER A 57 -6.838 3.476 -3.203 1.00 0.00 N ATOM 928 CA SER A 57 -7.089 4.661 -4.005 1.00 0.00 C ATOM 929 C SER A 57 -8.560 4.729 -4.406 1.00 0.00 C ATOM 930 O SER A 57 -9.090 5.806 -4.691 1.00 0.00 O ATOM 931 CB SER A 57 -6.190 4.644 -5.250 1.00 0.00 C ATOM 932 OG SER A 57 -6.228 5.883 -5.945 1.00 0.00 O ATOM 0 H SER A 57 -6.400 2.707 -3.709 1.00 0.00 H new ATOM 0 HA SER A 57 -6.856 5.547 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.164 4.424 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.508 3.843 -5.917 1.00 0.00 H new ATOM 0 HG SER A 57 -5.643 5.836 -6.730 1.00 0.00 H new ATOM 938 N ASP A 58 -9.226 3.581 -4.412 1.00 0.00 N ATOM 939 CA ASP A 58 -10.621 3.527 -4.823 1.00 0.00 C ATOM 940 C ASP A 58 -11.521 3.136 -3.655 1.00 0.00 C ATOM 941 O ASP A 58 -11.367 2.065 -3.063 1.00 0.00 O ATOM 942 CB ASP A 58 -10.796 2.549 -5.979 1.00 0.00 C ATOM 943 CG ASP A 58 -12.143 2.699 -6.650 1.00 0.00 C ATOM 944 OD1 ASP A 58 -12.256 3.530 -7.573 1.00 0.00 O ATOM 945 OD2 ASP A 58 -13.091 1.990 -6.264 1.00 0.00 O ATOM 0 H ASP A 58 -8.826 2.683 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.914 4.522 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.006 2.710 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.686 1.529 -5.611 1.00 0.00 H new ATOM 950 N LYS A 59 -12.472 4.009 -3.344 1.00 0.00 N ATOM 951 CA LYS A 59 -13.389 3.800 -2.224 1.00 0.00 C ATOM 952 C LYS A 59 -14.288 2.600 -2.452 1.00 0.00 C ATOM 953 O LYS A 59 -14.623 1.870 -1.522 1.00 0.00 O ATOM 954 CB LYS A 59 -14.245 5.050 -2.011 1.00 0.00 C ATOM 955 CG LYS A 59 -15.257 5.361 -3.112 1.00 0.00 C ATOM 956 CD LYS A 59 -14.598 6.094 -4.271 1.00 0.00 C ATOM 957 CE LYS A 59 -15.613 6.643 -5.256 1.00 0.00 C ATOM 958 NZ LYS A 59 -14.962 7.489 -6.288 1.00 0.00 N ATOM 0 H LYS A 59 -12.631 4.877 -3.856 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.788 3.607 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.783 4.942 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.581 5.907 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.704 4.434 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.065 5.969 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.992 6.913 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.922 5.415 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.138 5.818 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.361 7.229 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.682 7.849 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.482 8.289 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.266 6.922 -6.813 1.00 0.00 H new ATOM 972 N HIS A 60 -14.673 2.418 -3.694 1.00 0.00 N ATOM 973 CA HIS A 60 -15.509 1.277 -4.080 1.00 0.00 C ATOM 974 C HIS A 60 -14.730 -0.025 -3.975 1.00 0.00 C ATOM 975 O HIS A 60 -15.248 -1.038 -3.505 1.00 0.00 O ATOM 976 CB HIS A 60 -16.069 1.438 -5.494 1.00 0.00 C ATOM 977 CG HIS A 60 -17.083 2.530 -5.624 1.00 0.00 C ATOM 978 ND1 HIS A 60 -18.047 2.781 -4.674 1.00 0.00 N ATOM 979 CD2 HIS A 60 -17.274 3.445 -6.601 1.00 0.00 C ATOM 980 CE1 HIS A 60 -18.792 3.800 -5.065 1.00 0.00 C ATOM 981 NE2 HIS A 60 -18.344 4.223 -6.232 1.00 0.00 N ATOM 0 H HIS A 60 -14.426 3.040 -4.464 1.00 0.00 H new ATOM 0 HA HIS A 60 -16.349 1.245 -3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -15.245 1.637 -6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -16.522 0.496 -5.804 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -18.167 2.262 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -16.692 3.546 -7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -19.627 4.216 -4.521 1.00 0.00 H new ATOM 990 N LYS A 61 -13.482 0.007 -4.415 1.00 0.00 N ATOM 991 CA LYS A 61 -12.612 -1.155 -4.342 1.00 0.00 C ATOM 992 C LYS A 61 -12.379 -1.544 -2.885 1.00 0.00 C ATOM 993 O LYS A 61 -12.254 -2.726 -2.560 1.00 0.00 O ATOM 994 CB LYS A 61 -11.291 -0.851 -5.047 1.00 0.00 C ATOM 995 CG LYS A 61 -10.518 -2.086 -5.469 1.00 0.00 C ATOM 996 CD LYS A 61 -9.456 -1.743 -6.501 1.00 0.00 C ATOM 997 CE LYS A 61 -10.068 -1.049 -7.708 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.086 -0.840 -8.801 1.00 0.00 N ATOM 0 H LYS A 61 -13.047 0.831 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.087 -1.998 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.493 -0.243 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.666 -0.253 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.048 -2.540 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.205 -2.825 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.702 -1.098 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.948 -2.653 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.901 -1.644 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.476 -0.086 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.576 -0.473 -9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.365 -0.156 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.628 -1.744 -9.034 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.336 -0.542 -2.009 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.244 -0.785 -0.573 1.00 0.00 C ATOM 1014 C ARG A 62 -13.466 -1.546 -0.073 1.00 0.00 C ATOM 1015 O ARG A 62 -13.348 -2.407 0.793 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.102 0.528 0.202 1.00 0.00 C ATOM 1017 CG ARG A 62 -10.675 1.046 0.282 1.00 0.00 C ATOM 1018 CD ARG A 62 -9.763 0.066 1.011 1.00 0.00 C ATOM 1019 NE ARG A 62 -10.258 -0.257 2.353 1.00 0.00 N ATOM 1020 CZ ARG A 62 -9.477 -0.541 3.396 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -8.156 -0.527 3.274 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -10.023 -0.842 4.566 1.00 0.00 N ATOM 0 H ARG A 62 -12.363 0.444 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.354 -1.390 -0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.727 1.286 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.483 0.385 1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.293 1.220 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.664 2.006 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.676 -0.850 0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.762 0.491 1.087 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.268 -0.265 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.729 -0.298 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.567 -0.746 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.038 -0.856 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.428 -1.060 5.365 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.631 -1.231 -0.632 1.00 0.00 N ATOM 1037 CA GLU A 63 -15.867 -1.911 -0.257 1.00 0.00 C ATOM 1038 C GLU A 63 -15.784 -3.389 -0.618 1.00 0.00 C ATOM 1039 O GLU A 63 -16.154 -4.261 0.174 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.068 -1.278 -0.964 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.251 0.201 -0.670 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.450 0.784 -1.390 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -19.588 0.576 -0.920 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -18.266 1.444 -2.434 1.00 0.00 O ATOM 0 H GLU A 63 -14.745 -0.511 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.998 -1.809 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.955 -1.413 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.972 -1.811 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.369 0.344 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.353 0.742 -0.967 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.259 -3.663 -1.809 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.083 -5.033 -2.278 1.00 0.00 C ATOM 1053 C ILE A 64 -14.068 -5.772 -1.408 1.00 0.00 C ATOM 1054 O ILE A 64 -14.305 -6.901 -0.984 1.00 0.00 O ATOM 1055 CB ILE A 64 -14.639 -5.073 -3.770 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -15.854 -5.011 -4.702 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -13.809 -6.310 -4.072 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -16.672 -3.746 -4.573 1.00 0.00 C ATOM 0 H ILE A 64 -14.947 -2.951 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.048 -5.533 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.016 -4.197 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.512 -5.105 -5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -16.497 -5.868 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.517 -6.305 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.916 -6.311 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.398 -7.203 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.512 -3.783 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -17.047 -3.658 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -16.047 -2.884 -4.806 1.00 0.00 H new ATOM 1070 N TYR A 65 -12.961 -5.107 -1.116 1.00 0.00 N ATOM 1071 CA TYR A 65 -11.894 -5.693 -0.316 1.00 0.00 C ATOM 1072 C TYR A 65 -12.353 -5.943 1.117 1.00 0.00 C ATOM 1073 O TYR A 65 -11.961 -6.930 1.739 1.00 0.00 O ATOM 1074 CB TYR A 65 -10.666 -4.773 -0.336 1.00 0.00 C ATOM 1075 CG TYR A 65 -9.507 -5.245 0.521 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -8.706 -6.310 0.122 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -9.209 -4.619 1.728 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -7.644 -6.734 0.899 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -8.150 -5.040 2.508 1.00 0.00 C ATOM 1080 CZ TYR A 65 -7.371 -6.097 2.090 1.00 0.00 C ATOM 1081 OH TYR A 65 -6.311 -6.515 2.862 1.00 0.00 O ATOM 0 H TYR A 65 -12.776 -4.152 -1.424 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.626 -6.656 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.322 -4.672 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.967 -3.780 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.917 -6.814 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.816 -3.790 2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.031 -7.561 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.933 -4.543 3.442 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.255 -5.961 3.668 1.00 0.00 H new ATOM 1091 N ASP A 66 -13.192 -5.057 1.635 1.00 0.00 N ATOM 1092 CA ASP A 66 -13.632 -5.150 3.020 1.00 0.00 C ATOM 1093 C ASP A 66 -14.518 -6.375 3.231 1.00 0.00 C ATOM 1094 O ASP A 66 -14.299 -7.151 4.161 1.00 0.00 O ATOM 1095 CB ASP A 66 -14.398 -3.886 3.419 1.00 0.00 C ATOM 1096 CG ASP A 66 -14.501 -3.702 4.922 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -15.021 -4.604 5.615 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -14.057 -2.648 5.418 1.00 0.00 O ATOM 0 H ASP A 66 -13.581 -4.268 1.119 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.747 -5.249 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.904 -3.017 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.401 -3.927 2.994 1.00 0.00 H new ATOM 1103 N ARG A 67 -15.491 -6.573 2.347 1.00 0.00 N ATOM 1104 CA ARG A 67 -16.411 -7.689 2.494 1.00 0.00 C ATOM 1105 C ARG A 67 -15.837 -8.993 1.941 1.00 0.00 C ATOM 1106 O ARG A 67 -15.956 -10.042 2.573 1.00 0.00 O ATOM 1107 CB ARG A 67 -17.725 -7.356 1.803 1.00 0.00 C ATOM 1108 CG ARG A 67 -17.582 -7.112 0.314 1.00 0.00 C ATOM 1109 CD ARG A 67 -18.772 -6.357 -0.211 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.019 -7.067 0.071 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.071 -7.093 -0.741 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.067 -6.408 -1.876 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.136 -7.809 -0.410 1.00 0.00 N ATOM 0 H ARG A 67 -15.660 -5.982 1.533 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.579 -7.844 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.428 -8.174 1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.156 -6.470 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -16.670 -6.548 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.487 -8.063 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.805 -5.366 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.668 -6.213 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.086 -7.577 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.251 -5.853 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.880 -6.436 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.145 -8.336 0.463 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.947 -7.833 -1.029 1.00 0.00 H new ATOM 1127 N TYR A 68 -15.171 -8.922 0.793 1.00 0.00 N ATOM 1128 CA TYR A 68 -14.741 -10.126 0.092 1.00 0.00 C ATOM 1129 C TYR A 68 -13.322 -10.490 0.500 1.00 0.00 C ATOM 1130 O TYR A 68 -12.679 -11.350 -0.102 1.00 0.00 O ATOM 1131 CB TYR A 68 -14.838 -9.921 -1.422 1.00 0.00 C ATOM 1132 CG TYR A 68 -14.995 -11.206 -2.198 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -16.116 -12.005 -2.017 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -14.033 -11.618 -3.108 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -16.275 -13.180 -2.725 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -14.186 -12.790 -3.822 1.00 0.00 C ATOM 1137 CZ TYR A 68 -15.309 -13.567 -3.627 1.00 0.00 C ATOM 1138 OH TYR A 68 -15.467 -14.734 -4.340 1.00 0.00 O ATOM 0 H TYR A 68 -14.919 -8.049 0.331 1.00 0.00 H new ATOM 0 HA TYR A 68 -15.399 -10.950 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.685 -9.270 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.943 -9.405 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.876 -11.703 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.151 -11.013 -3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.152 -13.792 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -13.430 -13.097 -4.530 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.698 -14.861 -4.934 1.00 0.00 H new ATOM 1148 N GLY A 69 -12.836 -9.811 1.521 1.00 0.00 N ATOM 1149 CA GLY A 69 -11.596 -10.198 2.147 1.00 0.00 C ATOM 1150 C GLY A 69 -11.849 -11.224 3.216 1.00 0.00 C ATOM 1151 O GLY A 69 -11.183 -12.259 3.288 1.00 0.00 O ATOM 0 H GLY A 69 -13.283 -8.991 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.914 -10.603 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.111 -9.323 2.580 1.00 0.00 H new ATOM 1155 N ARG A 70 -12.836 -10.920 4.041 1.00 0.00 N ATOM 1156 CA ARG A 70 -13.278 -11.812 5.106 1.00 0.00 C ATOM 1157 C ARG A 70 -13.908 -13.075 4.524 1.00 0.00 C ATOM 1158 O ARG A 70 -13.675 -14.182 5.007 1.00 0.00 O ATOM 1159 CB ARG A 70 -14.299 -11.104 6.005 1.00 0.00 C ATOM 1160 CG ARG A 70 -13.868 -9.714 6.436 1.00 0.00 C ATOM 1161 CD ARG A 70 -12.617 -9.744 7.294 1.00 0.00 C ATOM 1162 NE ARG A 70 -12.120 -8.397 7.566 1.00 0.00 N ATOM 1163 CZ ARG A 70 -10.897 -8.126 8.015 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -10.051 -9.114 8.288 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -10.519 -6.866 8.186 1.00 0.00 N ATOM 0 H ARG A 70 -13.357 -10.045 3.993 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.405 -12.089 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.249 -11.033 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.473 -11.713 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.687 -9.101 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.677 -9.240 6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.832 -10.250 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.843 -10.323 6.790 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.752 -7.613 7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.338 -10.083 8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.114 -8.903 8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.166 -6.106 7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.582 -6.657 8.530 1.00 0.00 H new ATOM 1179 N GLU A 71 -14.719 -12.892 3.488 1.00 0.00 N ATOM 1180 CA GLU A 71 -15.411 -14.002 2.847 1.00 0.00 C ATOM 1181 C GLU A 71 -14.480 -14.759 1.901 1.00 0.00 C ATOM 1182 O GLU A 71 -14.333 -14.338 0.737 1.00 0.00 O ATOM 1183 CB GLU A 71 -16.643 -13.496 2.093 1.00 0.00 C ATOM 1184 CG GLU A 71 -17.700 -12.890 3.004 1.00 0.00 C ATOM 1185 CD GLU A 71 -18.905 -12.368 2.246 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -19.830 -13.161 1.969 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -18.943 -11.155 1.938 1.00 0.00 O ATOM 0 H GLU A 71 -14.913 -11.981 3.073 1.00 0.00 H new ATOM 0 HA GLU A 71 -15.735 -14.694 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.332 -12.749 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -17.084 -14.323 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.027 -13.642 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.256 -12.075 3.575 1.00 0.00 H new