USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HE2:sc= 1.11 K(o=3.3,f=-5.9!) USER MOD Set 1.2: A 86 THR OG1 : rot -32:sc= 2.23 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= -0.843 USER MOD Set 3.1: A 14 THR OG1 : rot 150:sc= 1.01 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -112:sc= 1.19 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 1.2 K(o=1.2,f=-0.026) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.25! X(o=-1.3!,f=-1.3) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00721 X(o=-0.0072,f=-0.021) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 66 THR OG1 : rot -150:sc= -2.55! USER MOD Single : A 68 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.0058) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 76 SER OG : rot 74:sc= 1.27 USER MOD Single : A 77 ASN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 84 MET CE :methyl -165:sc= -2.71 (180deg=-3.37) USER MOD Single : A 87 MET CE :methyl 163:sc= -0.115 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.974 -7.846 3.921 1.00 0.00 N ATOM 55 CA ASN A 11 13.939 -7.466 2.993 1.00 0.00 C ATOM 56 C ASN A 11 12.750 -7.102 3.814 1.00 0.00 C ATOM 57 O ASN A 11 12.136 -7.959 4.419 1.00 0.00 O ATOM 58 CB ASN A 11 13.586 -8.619 2.030 1.00 0.00 C ATOM 59 CG ASN A 11 14.781 -9.163 1.278 1.00 0.00 C ATOM 60 OD1 ASN A 11 15.162 -8.640 0.234 1.00 0.00 O ATOM 61 ND2 ASN A 11 15.323 -10.257 1.741 1.00 0.00 N ATOM 0 HA ASN A 11 14.274 -6.634 2.373 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.125 -9.427 2.597 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.844 -8.269 1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.086 -10.703 1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.983 -10.666 2.611 1.00 0.00 H new ATOM 68 N VAL A 12 12.446 -5.849 3.877 1.00 0.00 N ATOM 69 CA VAL A 12 11.434 -5.367 4.756 1.00 0.00 C ATOM 70 C VAL A 12 10.458 -4.467 4.047 1.00 0.00 C ATOM 71 O VAL A 12 10.823 -3.580 3.269 1.00 0.00 O ATOM 72 CB VAL A 12 12.042 -4.647 5.997 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.984 -3.921 6.807 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.731 -5.639 6.897 1.00 0.00 C ATOM 0 H VAL A 12 12.896 -5.125 3.316 1.00 0.00 H new ATOM 0 HA VAL A 12 10.887 -6.241 5.109 1.00 0.00 H new ATOM 0 HB VAL A 12 12.757 -3.918 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.452 -3.433 7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.499 -3.171 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.241 -4.636 7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.150 -5.119 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.011 -6.383 7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.532 -6.134 6.347 1.00 0.00 H new ATOM 84 N THR A 13 9.247 -4.734 4.312 1.00 0.00 N ATOM 85 CA THR A 13 8.139 -4.025 3.857 1.00 0.00 C ATOM 86 C THR A 13 7.304 -3.684 5.076 1.00 0.00 C ATOM 87 O THR A 13 6.909 -4.568 5.859 1.00 0.00 O ATOM 88 CB THR A 13 7.381 -4.917 2.882 1.00 0.00 C ATOM 89 OG1 THR A 13 8.164 -5.102 1.688 1.00 0.00 O ATOM 90 CG2 THR A 13 5.994 -4.397 2.571 1.00 0.00 C ATOM 0 H THR A 13 8.988 -5.523 4.904 1.00 0.00 H new ATOM 0 HA THR A 13 8.406 -3.105 3.338 1.00 0.00 H new ATOM 0 HB THR A 13 7.230 -5.885 3.359 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.676 -5.677 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.501 -5.072 1.872 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.412 -4.339 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.069 -3.405 2.126 1.00 0.00 H new ATOM 98 N THR A 14 7.094 -2.441 5.258 1.00 0.00 N ATOM 99 CA THR A 14 6.411 -1.942 6.378 1.00 0.00 C ATOM 100 C THR A 14 4.922 -2.032 6.144 1.00 0.00 C ATOM 101 O THR A 14 4.436 -1.836 5.028 1.00 0.00 O ATOM 102 CB THR A 14 6.795 -0.480 6.592 1.00 0.00 C ATOM 103 OG1 THR A 14 8.227 -0.359 6.530 1.00 0.00 O ATOM 104 CG2 THR A 14 6.285 0.046 7.936 1.00 0.00 C ATOM 0 H THR A 14 7.404 -1.719 4.608 1.00 0.00 H new ATOM 0 HA THR A 14 6.679 -2.529 7.257 1.00 0.00 H new ATOM 0 HB THR A 14 6.331 0.118 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.466 0.528 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.577 1.090 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.198 -0.032 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.716 -0.544 8.745 1.00 0.00 H new ATOM 112 N VAL A 15 4.231 -2.351 7.155 1.00 0.00 N ATOM 113 CA VAL A 15 2.824 -2.402 7.127 1.00 0.00 C ATOM 114 C VAL A 15 2.302 -1.384 8.066 1.00 0.00 C ATOM 115 O VAL A 15 2.845 -1.212 9.161 1.00 0.00 O ATOM 116 CB VAL A 15 2.316 -3.787 7.527 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.816 -3.769 7.745 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.667 -4.773 6.445 1.00 0.00 C ATOM 0 H VAL A 15 4.636 -2.593 8.059 1.00 0.00 H new ATOM 0 HA VAL A 15 2.477 -2.201 6.114 1.00 0.00 H new ATOM 0 HB VAL A 15 2.790 -4.081 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.478 -4.766 8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.572 -3.063 8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.318 -3.465 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.307 -5.763 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.199 -4.468 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.749 -4.803 6.317 1.00 0.00 H new ATOM 128 N LEU A 16 1.310 -0.678 7.657 1.00 0.00 N ATOM 129 CA LEU A 16 0.713 0.227 8.522 1.00 0.00 C ATOM 130 C LEU A 16 -0.741 -0.092 8.668 1.00 0.00 C ATOM 131 O LEU A 16 -1.519 -0.047 7.711 1.00 0.00 O ATOM 132 CB LEU A 16 0.892 1.651 8.085 1.00 0.00 C ATOM 133 CG LEU A 16 0.386 2.663 9.085 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.258 2.710 10.306 1.00 0.00 C ATOM 135 CD2 LEU A 16 0.278 3.992 8.474 1.00 0.00 C ATOM 0 H LEU A 16 0.906 -0.722 6.722 1.00 0.00 H new ATOM 0 HA LEU A 16 1.211 0.129 9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.950 1.834 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.373 1.799 7.138 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.609 2.347 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.866 3.448 11.005 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.270 1.730 10.782 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.272 2.986 10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.088 4.704 9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.258 4.310 8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.416 3.951 7.635 1.00 0.00 H new ATOM 147 N ILE A 17 -1.106 -0.364 9.848 1.00 0.00 N ATOM 148 CA ILE A 17 -2.441 -0.659 10.174 1.00 0.00 C ATOM 149 C ILE A 17 -3.081 0.577 10.697 1.00 0.00 C ATOM 150 O ILE A 17 -2.461 1.339 11.421 1.00 0.00 O ATOM 151 CB ILE A 17 -2.510 -1.829 11.222 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.761 -3.148 10.530 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.575 -1.606 12.296 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.120 -3.185 9.893 1.00 0.00 C ATOM 0 H ILE A 17 -0.468 -0.390 10.644 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.978 -0.994 9.286 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.541 -1.849 11.721 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.997 -3.313 9.770 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.674 -3.961 11.251 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.574 -2.447 12.989 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.356 -0.687 12.840 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.555 -1.525 11.825 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.267 -4.148 9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.884 -3.046 10.658 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.197 -2.388 9.154 1.00 0.00 H new ATOM 166 N ARG A 18 -4.260 0.833 10.209 1.00 0.00 N ATOM 167 CA ARG A 18 -5.072 1.885 10.736 1.00 0.00 C ATOM 168 C ARG A 18 -6.206 1.217 11.437 1.00 0.00 C ATOM 169 O ARG A 18 -7.124 0.713 10.810 1.00 0.00 O ATOM 170 CB ARG A 18 -5.607 2.811 9.627 1.00 0.00 C ATOM 171 CG ARG A 18 -4.739 4.028 9.271 1.00 0.00 C ATOM 172 CD ARG A 18 -3.295 3.692 8.900 1.00 0.00 C ATOM 173 NE ARG A 18 -3.158 2.701 7.808 1.00 0.00 N ATOM 174 CZ ARG A 18 -2.701 2.968 6.565 1.00 0.00 C ATOM 175 NH1 ARG A 18 -2.660 4.220 6.113 1.00 0.00 N ATOM 176 NH2 ARG A 18 -2.334 1.962 5.770 1.00 0.00 N ATOM 0 H ARG A 18 -4.683 0.318 9.436 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.488 2.516 11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.747 2.216 8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.591 3.170 9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.201 4.556 8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.733 4.714 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.785 4.610 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.784 3.312 9.785 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.431 1.739 8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.975 4.987 6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.313 4.412 5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.399 1.000 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.988 2.155 4.830 1.00 0.00 H new ATOM 190 N ARG A 19 -6.108 1.157 12.714 1.00 0.00 N ATOM 191 CA ARG A 19 -7.109 0.524 13.509 1.00 0.00 C ATOM 192 C ARG A 19 -7.926 1.545 14.294 1.00 0.00 C ATOM 193 O ARG A 19 -7.427 2.132 15.225 1.00 0.00 O ATOM 194 CB ARG A 19 -6.446 -0.474 14.438 1.00 0.00 C ATOM 195 CG ARG A 19 -7.410 -1.221 15.309 1.00 0.00 C ATOM 196 CD ARG A 19 -6.724 -2.338 16.039 1.00 0.00 C ATOM 197 NE ARG A 19 -7.683 -3.163 16.730 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.395 -4.140 17.568 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.203 -4.218 18.088 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.340 -5.007 17.925 1.00 0.00 N ATOM 0 H ARG A 19 -5.329 1.546 13.246 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.804 0.000 12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.879 -1.190 13.843 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.731 0.052 15.071 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.862 -0.537 16.027 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.219 -1.623 14.700 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.157 -2.945 15.334 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.010 -1.927 16.753 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.670 -2.975 16.556 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.495 -3.524 17.847 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.978 -4.973 18.736 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.284 -4.915 17.551 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.120 -5.763 18.573 1.00 0.00 H new ATOM 214 N PRO A 20 -9.185 1.776 13.914 1.00 0.00 N ATOM 215 CA PRO A 20 -10.062 2.749 14.606 1.00 0.00 C ATOM 216 C PRO A 20 -10.252 2.444 16.110 1.00 0.00 C ATOM 217 O PRO A 20 -10.211 3.344 16.939 1.00 0.00 O ATOM 218 CB PRO A 20 -11.393 2.610 13.865 1.00 0.00 C ATOM 219 CG PRO A 20 -11.019 2.092 12.523 1.00 0.00 C ATOM 220 CD PRO A 20 -9.862 1.168 12.751 1.00 0.00 C ATOM 0 HA PRO A 20 -9.636 3.752 14.584 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.065 1.925 14.382 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.908 3.568 13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.854 1.566 12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.743 2.906 11.852 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.192 0.150 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.206 1.118 11.882 1.00 0.00 H new ATOM 228 N ASP A 21 -10.417 1.173 16.445 1.00 0.00 N ATOM 229 CA ASP A 21 -10.652 0.729 17.830 1.00 0.00 C ATOM 230 C ASP A 21 -10.473 -0.775 17.873 1.00 0.00 C ATOM 231 O ASP A 21 -10.270 -1.400 16.831 1.00 0.00 O ATOM 232 CB ASP A 21 -12.091 1.110 18.315 1.00 0.00 C ATOM 233 CG ASP A 21 -12.396 0.757 19.778 1.00 0.00 C ATOM 234 OD1 ASP A 21 -12.100 1.569 20.680 1.00 0.00 O ATOM 235 OD2 ASP A 21 -12.915 -0.345 20.044 1.00 0.00 O ATOM 0 H ASP A 21 -10.393 0.410 15.768 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.944 1.224 18.495 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.232 2.182 18.178 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.818 0.609 17.676 1.00 0.00 H new ATOM 240 N LEU A 22 -10.578 -1.337 19.044 1.00 0.00 N ATOM 241 CA LEU A 22 -10.443 -2.742 19.301 1.00 0.00 C ATOM 242 C LEU A 22 -11.592 -3.514 18.718 1.00 0.00 C ATOM 243 O LEU A 22 -11.471 -4.711 18.461 1.00 0.00 O ATOM 244 CB LEU A 22 -10.379 -2.949 20.780 1.00 0.00 C ATOM 245 CG LEU A 22 -9.275 -2.176 21.450 1.00 0.00 C ATOM 246 CD1 LEU A 22 -9.258 -2.461 22.916 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.947 -2.520 20.816 1.00 0.00 C ATOM 0 H LEU A 22 -10.770 -0.799 19.889 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.531 -3.107 18.829 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.333 -2.659 21.220 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.243 -4.011 20.984 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.454 -1.109 21.316 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.454 -1.895 23.387 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.213 -2.170 23.354 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.095 -3.526 23.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.153 -1.957 21.306 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.756 -3.587 20.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.972 -2.264 19.757 1.00 0.00 H new ATOM 259 N ARG A 23 -12.709 -2.812 18.505 1.00 0.00 N ATOM 260 CA ARG A 23 -13.894 -3.373 17.826 1.00 0.00 C ATOM 261 C ARG A 23 -13.525 -3.840 16.419 1.00 0.00 C ATOM 262 O ARG A 23 -14.186 -4.696 15.836 1.00 0.00 O ATOM 263 CB ARG A 23 -15.007 -2.322 17.730 1.00 0.00 C ATOM 264 CG ARG A 23 -15.608 -1.876 19.061 1.00 0.00 C ATOM 265 CD ARG A 23 -16.565 -2.907 19.673 1.00 0.00 C ATOM 266 NE ARG A 23 -15.943 -4.203 19.955 1.00 0.00 N ATOM 267 CZ ARG A 23 -15.576 -4.630 21.163 1.00 0.00 C ATOM 268 NH1 ARG A 23 -15.761 -3.862 22.231 1.00 0.00 N ATOM 269 NH2 ARG A 23 -15.030 -5.837 21.299 1.00 0.00 N ATOM 0 H ARG A 23 -12.823 -1.841 18.795 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.250 -4.221 18.411 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.611 -1.445 17.218 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.807 -2.721 17.106 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.802 -1.676 19.767 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.143 -0.938 18.914 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.974 -2.503 20.599 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.403 -3.058 18.993 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.778 -4.827 19.165 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.186 -2.940 22.129 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.478 -4.194 23.153 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.894 -6.430 20.481 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.748 -6.168 22.222 1.00 0.00 H new ATOM 283 N TYR A 24 -12.453 -3.291 15.912 1.00 0.00 N ATOM 284 CA TYR A 24 -11.943 -3.629 14.627 1.00 0.00 C ATOM 285 C TYR A 24 -10.764 -4.495 14.899 1.00 0.00 C ATOM 286 O TYR A 24 -9.860 -4.067 15.571 1.00 0.00 O ATOM 287 CB TYR A 24 -11.481 -2.368 13.873 1.00 0.00 C ATOM 288 CG TYR A 24 -12.570 -1.355 13.554 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.130 -0.559 14.544 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.027 -1.195 12.255 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.112 0.362 14.248 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.007 -0.275 11.948 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.549 0.500 12.950 1.00 0.00 C ATOM 294 OH TYR A 24 -15.526 1.423 12.653 1.00 0.00 O ATOM 0 H TYR A 24 -11.904 -2.582 16.398 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.699 -4.118 14.013 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.712 -1.873 14.467 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.012 -2.677 12.939 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.790 -0.663 15.564 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.607 -1.803 11.468 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.537 0.973 15.031 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.347 -0.163 10.929 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.721 1.396 11.693 1.00 0.00 H new ATOM 304 N GLN A 25 -10.787 -5.696 14.461 1.00 0.00 N ATOM 305 CA GLN A 25 -9.680 -6.589 14.706 1.00 0.00 C ATOM 306 C GLN A 25 -8.749 -6.527 13.517 1.00 0.00 C ATOM 307 O GLN A 25 -9.122 -5.975 12.490 1.00 0.00 O ATOM 308 CB GLN A 25 -10.185 -8.000 15.022 1.00 0.00 C ATOM 309 CG GLN A 25 -11.031 -8.588 13.927 1.00 0.00 C ATOM 310 CD GLN A 25 -10.264 -9.424 12.915 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.608 -9.451 11.746 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.277 -10.169 13.358 1.00 0.00 N ATOM 0 H GLN A 25 -11.556 -6.101 13.927 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.116 -6.282 15.587 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.331 -8.652 15.202 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.765 -7.973 15.945 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.806 -9.208 14.378 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.536 -7.778 13.401 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.009 -10.128 14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.779 -10.789 12.719 1.00 0.00 H new ATOM 321 N LEU A 26 -7.580 -7.091 13.644 1.00 0.00 N ATOM 322 CA LEU A 26 -6.525 -6.931 12.639 1.00 0.00 C ATOM 323 C LEU A 26 -6.935 -7.543 11.304 1.00 0.00 C ATOM 324 O LEU A 26 -7.015 -6.854 10.281 1.00 0.00 O ATOM 325 CB LEU A 26 -5.189 -7.541 13.123 1.00 0.00 C ATOM 326 CG LEU A 26 -4.705 -7.197 14.557 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.991 -5.754 14.929 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.257 -8.168 15.603 1.00 0.00 C ATOM 0 H LEU A 26 -7.316 -7.675 14.437 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.378 -5.861 12.493 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.272 -8.625 13.050 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.410 -7.233 12.425 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.622 -7.316 14.551 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.634 -5.562 15.941 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.480 -5.090 14.232 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.065 -5.572 14.882 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.891 -7.886 16.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.346 -8.130 15.596 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.928 -9.180 15.369 1.00 0.00 H new ATOM 340 N GLY A 27 -7.201 -8.812 11.315 1.00 0.00 N ATOM 341 CA GLY A 27 -7.647 -9.461 10.120 1.00 0.00 C ATOM 342 C GLY A 27 -6.563 -10.270 9.474 1.00 0.00 C ATOM 343 O GLY A 27 -6.484 -10.338 8.261 1.00 0.00 O ATOM 0 H GLY A 27 -7.118 -9.417 12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.491 -10.110 10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.007 -8.712 9.415 1.00 0.00 H new ATOM 347 N PHE A 28 -5.713 -10.858 10.275 1.00 0.00 N ATOM 348 CA PHE A 28 -4.677 -11.737 9.779 1.00 0.00 C ATOM 349 C PHE A 28 -4.282 -12.696 10.887 1.00 0.00 C ATOM 350 O PHE A 28 -4.510 -12.413 12.064 1.00 0.00 O ATOM 351 CB PHE A 28 -3.435 -10.964 9.226 1.00 0.00 C ATOM 352 CG PHE A 28 -2.601 -10.217 10.254 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.881 -8.913 10.588 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.527 -10.834 10.867 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.115 -8.229 11.507 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.752 -10.157 11.792 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.049 -8.851 12.110 1.00 0.00 C ATOM 0 H PHE A 28 -5.716 -10.744 11.289 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.076 -12.292 8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.789 -11.675 8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.780 -10.249 8.479 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.718 -8.415 10.121 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.289 -11.858 10.621 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.353 -7.205 11.753 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.084 -10.652 12.263 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.447 -8.318 12.830 1.00 0.00 H new ATOM 367 N SER A 29 -3.730 -13.802 10.523 1.00 0.00 N ATOM 368 CA SER A 29 -3.328 -14.804 11.477 1.00 0.00 C ATOM 369 C SER A 29 -1.807 -15.001 11.415 1.00 0.00 C ATOM 370 O SER A 29 -1.227 -15.092 10.316 1.00 0.00 O ATOM 371 CB SER A 29 -4.074 -16.095 11.177 1.00 0.00 C ATOM 372 OG SER A 29 -5.485 -15.856 11.150 1.00 0.00 O ATOM 0 H SER A 29 -3.539 -14.048 9.552 1.00 0.00 H new ATOM 0 HA SER A 29 -3.577 -14.487 12.490 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.748 -16.498 10.218 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.839 -16.844 11.934 1.00 0.00 H new ATOM 0 HG SER A 29 -5.955 -16.693 10.954 1.00 0.00 H new ATOM 378 N VAL A 30 -1.177 -15.084 12.573 1.00 0.00 N ATOM 379 CA VAL A 30 0.265 -15.133 12.682 1.00 0.00 C ATOM 380 C VAL A 30 0.756 -16.278 13.564 1.00 0.00 C ATOM 381 O VAL A 30 0.320 -16.452 14.706 1.00 0.00 O ATOM 382 CB VAL A 30 0.832 -13.737 13.147 1.00 0.00 C ATOM 383 CG1 VAL A 30 2.090 -13.834 13.980 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.158 -12.914 11.942 1.00 0.00 C ATOM 0 H VAL A 30 -1.659 -15.119 13.471 1.00 0.00 H new ATOM 0 HA VAL A 30 0.658 -15.344 11.688 1.00 0.00 H new ATOM 0 HB VAL A 30 0.055 -13.288 13.766 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.418 -12.833 14.261 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.887 -14.415 14.879 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.873 -14.323 13.401 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.551 -11.947 12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.906 -13.431 11.340 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.256 -12.763 11.349 1.00 0.00 H new ATOM 394 N GLN A 31 1.666 -17.047 13.017 1.00 0.00 N ATOM 395 CA GLN A 31 2.293 -18.126 13.718 1.00 0.00 C ATOM 396 C GLN A 31 3.801 -17.905 13.746 1.00 0.00 C ATOM 397 O GLN A 31 4.456 -17.824 12.701 1.00 0.00 O ATOM 398 CB GLN A 31 1.907 -19.498 13.125 1.00 0.00 C ATOM 399 CG GLN A 31 2.100 -19.629 11.621 1.00 0.00 C ATOM 400 CD GLN A 31 1.726 -21.004 11.101 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.869 -21.690 11.657 1.00 0.00 O ATOM 402 NE2 GLN A 31 2.341 -21.411 10.033 1.00 0.00 N ATOM 0 H GLN A 31 1.992 -16.934 12.057 1.00 0.00 H new ATOM 0 HA GLN A 31 1.931 -18.138 14.746 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.497 -20.269 13.620 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.861 -19.697 13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.496 -18.877 11.114 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.141 -19.422 11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.047 -20.820 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.118 -22.322 9.632 1.00 0.00 H new ATOM 411 N ASN A 32 4.321 -17.714 14.953 1.00 0.00 N ATOM 412 CA ASN A 32 5.762 -17.470 15.247 1.00 0.00 C ATOM 413 C ASN A 32 6.230 -16.114 14.748 1.00 0.00 C ATOM 414 O ASN A 32 7.393 -15.750 14.900 1.00 0.00 O ATOM 415 CB ASN A 32 6.678 -18.594 14.710 1.00 0.00 C ATOM 416 CG ASN A 32 6.354 -19.956 15.298 1.00 0.00 C ATOM 417 OD1 ASN A 32 5.847 -20.063 16.419 1.00 0.00 O ATOM 418 ND2 ASN A 32 6.651 -21.000 14.569 1.00 0.00 N ATOM 0 H ASN A 32 3.746 -17.722 15.795 1.00 0.00 H new ATOM 0 HA ASN A 32 5.844 -17.473 16.334 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.587 -18.642 13.625 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.716 -18.346 14.932 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.465 -21.938 14.922 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.069 -20.876 13.647 1.00 0.00 H new ATOM 425 N GLY A 33 5.312 -15.360 14.198 1.00 0.00 N ATOM 426 CA GLY A 33 5.631 -14.072 13.650 1.00 0.00 C ATOM 427 C GLY A 33 5.337 -14.031 12.177 1.00 0.00 C ATOM 428 O GLY A 33 5.307 -12.978 11.571 1.00 0.00 O ATOM 0 H GLY A 33 4.329 -15.622 14.119 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.055 -13.301 14.162 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.684 -13.850 13.822 1.00 0.00 H new ATOM 432 N ILE A 34 5.103 -15.184 11.595 1.00 0.00 N ATOM 433 CA ILE A 34 4.829 -15.257 10.180 1.00 0.00 C ATOM 434 C ILE A 34 3.325 -15.293 9.927 1.00 0.00 C ATOM 435 O ILE A 34 2.590 -16.071 10.553 1.00 0.00 O ATOM 436 CB ILE A 34 5.544 -16.467 9.450 1.00 0.00 C ATOM 437 CG1 ILE A 34 7.094 -16.355 9.473 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.086 -16.561 7.998 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.761 -16.530 10.823 1.00 0.00 C ATOM 0 H ILE A 34 5.097 -16.082 12.079 1.00 0.00 H new ATOM 0 HA ILE A 34 5.252 -14.351 9.745 1.00 0.00 H new ATOM 0 HB ILE A 34 5.260 -17.363 10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.501 -17.102 8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.372 -15.378 9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.587 -17.398 7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.008 -16.716 7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.335 -15.636 7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.841 -16.431 10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.396 -15.767 11.511 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.527 -17.518 11.219 1.00 0.00 H new ATOM 451 N ILE A 35 2.890 -14.405 9.066 1.00 0.00 N ATOM 452 CA ILE A 35 1.516 -14.296 8.626 1.00 0.00 C ATOM 453 C ILE A 35 1.152 -15.509 7.784 1.00 0.00 C ATOM 454 O ILE A 35 1.710 -15.708 6.694 1.00 0.00 O ATOM 455 CB ILE A 35 1.349 -13.021 7.781 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.729 -11.809 8.630 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.097 -12.897 7.264 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.936 -10.560 7.845 1.00 0.00 C ATOM 0 H ILE A 35 3.503 -13.713 8.636 1.00 0.00 H new ATOM 0 HA ILE A 35 0.861 -14.248 9.496 1.00 0.00 H new ATOM 0 HB ILE A 35 2.005 -13.072 6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.946 -11.636 9.369 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.642 -12.036 9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.194 -11.989 6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.338 -13.763 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.783 -12.852 8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.203 -9.746 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.740 -10.712 7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.017 -10.306 7.316 1.00 0.00 H new ATOM 470 N CYS A 36 0.248 -16.304 8.278 1.00 0.00 N ATOM 471 CA CYS A 36 -0.134 -17.514 7.596 1.00 0.00 C ATOM 472 C CYS A 36 -1.428 -17.309 6.794 1.00 0.00 C ATOM 473 O CYS A 36 -1.680 -18.017 5.816 1.00 0.00 O ATOM 474 CB CYS A 36 -0.272 -18.663 8.605 1.00 0.00 C ATOM 475 SG CYS A 36 -0.517 -20.305 7.877 1.00 0.00 S ATOM 0 H CYS A 36 -0.243 -16.138 9.156 1.00 0.00 H new ATOM 0 HA CYS A 36 0.647 -17.778 6.883 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.623 -18.689 9.227 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.112 -18.447 9.265 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.617 -21.189 8.825 1.00 0.00 H new ATOM 481 N SER A 37 -2.232 -16.337 7.188 1.00 0.00 N ATOM 482 CA SER A 37 -3.466 -16.046 6.482 1.00 0.00 C ATOM 483 C SER A 37 -3.916 -14.603 6.720 1.00 0.00 C ATOM 484 O SER A 37 -3.577 -14.006 7.750 1.00 0.00 O ATOM 485 CB SER A 37 -4.548 -17.060 6.860 1.00 0.00 C ATOM 486 OG SER A 37 -4.663 -17.187 8.270 1.00 0.00 O ATOM 0 H SER A 37 -2.052 -15.737 7.993 1.00 0.00 H new ATOM 0 HA SER A 37 -3.284 -16.142 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.505 -16.748 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.310 -18.030 6.423 1.00 0.00 H new ATOM 0 HG SER A 37 -5.362 -17.839 8.484 1.00 0.00 H new ATOM 492 N LEU A 38 -4.627 -14.057 5.759 1.00 0.00 N ATOM 493 CA LEU A 38 -5.132 -12.700 5.786 1.00 0.00 C ATOM 494 C LEU A 38 -6.642 -12.724 5.547 1.00 0.00 C ATOM 495 O LEU A 38 -7.156 -13.623 4.864 1.00 0.00 O ATOM 496 CB LEU A 38 -4.410 -11.876 4.694 1.00 0.00 C ATOM 497 CG LEU A 38 -4.887 -10.437 4.436 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.795 -9.590 5.681 1.00 0.00 C ATOM 499 CD2 LEU A 38 -4.049 -9.814 3.363 1.00 0.00 C ATOM 0 H LEU A 38 -4.879 -14.561 4.909 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.943 -12.238 6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.352 -11.835 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.488 -12.426 3.756 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.931 -10.484 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.140 -8.580 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.418 -10.024 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.760 -9.553 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.389 -8.794 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.006 -9.798 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.141 -10.395 2.446 1.00 0.00 H new ATOM 511 N MET A 39 -7.346 -11.789 6.127 1.00 0.00 N ATOM 512 CA MET A 39 -8.776 -11.720 5.986 1.00 0.00 C ATOM 513 C MET A 39 -9.172 -10.577 5.052 1.00 0.00 C ATOM 514 O MET A 39 -8.795 -9.406 5.262 1.00 0.00 O ATOM 515 CB MET A 39 -9.440 -11.536 7.348 1.00 0.00 C ATOM 516 CG MET A 39 -10.956 -11.651 7.319 1.00 0.00 C ATOM 517 SD MET A 39 -11.515 -13.320 6.913 1.00 0.00 S ATOM 518 CE MET A 39 -13.290 -13.096 6.996 1.00 0.00 C ATOM 0 H MET A 39 -6.945 -11.054 6.710 1.00 0.00 H new ATOM 0 HA MET A 39 -9.119 -12.659 5.552 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.043 -12.281 8.038 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.168 -10.558 7.744 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.358 -11.363 8.290 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.357 -10.949 6.588 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.787 -14.039 6.769 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.569 -12.770 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.596 -12.342 6.271 1.00 0.00 H new ATOM 528 N ARG A 40 -9.899 -10.936 4.028 1.00 0.00 N ATOM 529 CA ARG A 40 -10.448 -10.018 3.053 1.00 0.00 C ATOM 530 C ARG A 40 -11.379 -9.028 3.730 1.00 0.00 C ATOM 531 O ARG A 40 -12.242 -9.414 4.526 1.00 0.00 O ATOM 532 CB ARG A 40 -11.217 -10.839 2.020 1.00 0.00 C ATOM 533 CG ARG A 40 -12.094 -10.079 1.033 1.00 0.00 C ATOM 534 CD ARG A 40 -11.302 -9.173 0.117 1.00 0.00 C ATOM 535 NE ARG A 40 -10.231 -9.885 -0.593 1.00 0.00 N ATOM 536 CZ ARG A 40 -10.403 -10.693 -1.658 1.00 0.00 C ATOM 537 NH1 ARG A 40 -11.618 -10.880 -2.167 1.00 0.00 N ATOM 538 NH2 ARG A 40 -9.365 -11.293 -2.217 1.00 0.00 N ATOM 0 H ARG A 40 -10.137 -11.910 3.839 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.648 -9.454 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.495 -11.423 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.849 -11.548 2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.657 -10.792 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.821 -9.483 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.975 -8.719 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.869 -8.361 0.701 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.278 -9.757 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.423 -10.411 -1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.745 -11.492 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.428 -11.145 -1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.502 -11.903 -3.023 1.00 0.00 H new ATOM 552 N GLY A 41 -11.183 -7.762 3.441 1.00 0.00 N ATOM 553 CA GLY A 41 -12.025 -6.735 4.010 1.00 0.00 C ATOM 554 C GLY A 41 -11.588 -6.359 5.404 1.00 0.00 C ATOM 555 O GLY A 41 -12.257 -5.581 6.100 1.00 0.00 O ATOM 0 H GLY A 41 -10.451 -7.420 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.002 -5.852 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.057 -7.084 4.035 1.00 0.00 H new ATOM 559 N GLY A 42 -10.482 -6.907 5.822 1.00 0.00 N ATOM 560 CA GLY A 42 -9.964 -6.589 7.109 1.00 0.00 C ATOM 561 C GLY A 42 -9.017 -5.443 6.999 1.00 0.00 C ATOM 562 O GLY A 42 -8.525 -5.145 5.881 1.00 0.00 O ATOM 0 H GLY A 42 -9.927 -7.574 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.779 -6.336 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.455 -7.455 7.531 1.00 0.00 H new ATOM 566 N ILE A 43 -8.747 -4.785 8.106 1.00 0.00 N ATOM 567 CA ILE A 43 -7.808 -3.674 8.101 1.00 0.00 C ATOM 568 C ILE A 43 -6.434 -4.100 7.653 1.00 0.00 C ATOM 569 O ILE A 43 -5.743 -3.344 7.008 1.00 0.00 O ATOM 570 CB ILE A 43 -7.705 -2.904 9.443 1.00 0.00 C ATOM 571 CG1 ILE A 43 -7.810 -3.828 10.658 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.686 -1.760 9.508 1.00 0.00 C ATOM 573 CD1 ILE A 43 -7.611 -3.127 11.991 1.00 0.00 C ATOM 0 H ILE A 43 -9.158 -4.994 9.016 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.230 -2.977 7.377 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.706 -2.469 9.479 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.790 -4.306 10.654 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.068 -4.621 10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.582 -1.246 10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.484 -1.061 8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.701 -2.145 9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.701 -3.852 12.800 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.620 -2.673 12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.369 -2.353 12.112 1.00 0.00 H new ATOM 585 N ALA A 44 -6.064 -5.331 7.965 1.00 0.00 N ATOM 586 CA ALA A 44 -4.776 -5.878 7.611 1.00 0.00 C ATOM 587 C ALA A 44 -4.570 -5.908 6.108 1.00 0.00 C ATOM 588 O ALA A 44 -3.479 -5.586 5.608 1.00 0.00 O ATOM 589 CB ALA A 44 -4.649 -7.253 8.194 1.00 0.00 C ATOM 0 H ALA A 44 -6.660 -5.981 8.477 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.000 -5.233 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.678 -7.672 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.738 -7.198 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.439 -7.891 7.797 1.00 0.00 H new ATOM 595 N GLU A 45 -5.625 -6.231 5.388 1.00 0.00 N ATOM 596 CA GLU A 45 -5.572 -6.319 3.943 1.00 0.00 C ATOM 597 C GLU A 45 -5.274 -4.946 3.354 1.00 0.00 C ATOM 598 O GLU A 45 -4.502 -4.812 2.401 1.00 0.00 O ATOM 599 CB GLU A 45 -6.885 -6.900 3.399 1.00 0.00 C ATOM 600 CG GLU A 45 -6.942 -7.026 1.891 1.00 0.00 C ATOM 601 CD GLU A 45 -8.216 -7.661 1.413 1.00 0.00 C ATOM 602 OE1 GLU A 45 -9.309 -7.051 1.581 1.00 0.00 O ATOM 603 OE2 GLU A 45 -8.159 -8.761 0.815 1.00 0.00 O ATOM 0 H GLU A 45 -6.541 -6.439 5.786 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.768 -6.993 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.041 -7.885 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.710 -6.269 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.843 -6.037 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.094 -7.618 1.547 1.00 0.00 H new ATOM 610 N ARG A 46 -5.863 -3.942 3.950 1.00 0.00 N ATOM 611 CA ARG A 46 -5.649 -2.546 3.538 1.00 0.00 C ATOM 612 C ARG A 46 -4.485 -1.875 4.282 1.00 0.00 C ATOM 613 O ARG A 46 -4.178 -0.706 4.058 1.00 0.00 O ATOM 614 CB ARG A 46 -6.954 -1.770 3.645 1.00 0.00 C ATOM 615 CG ARG A 46 -7.908 -2.215 2.572 1.00 0.00 C ATOM 616 CD ARG A 46 -9.344 -1.761 2.765 1.00 0.00 C ATOM 617 NE ARG A 46 -10.160 -2.248 1.641 1.00 0.00 N ATOM 618 CZ ARG A 46 -10.228 -3.543 1.255 1.00 0.00 C ATOM 619 NH1 ARG A 46 -9.934 -4.527 2.122 1.00 0.00 N ATOM 620 NH2 ARG A 46 -10.649 -3.848 0.034 1.00 0.00 N ATOM 0 H ARG A 46 -6.506 -4.050 4.734 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.342 -2.543 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.400 -1.927 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.760 -0.702 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.551 -1.843 1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.890 -3.304 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.736 -2.144 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.390 -0.673 2.819 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.710 -1.565 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.658 -4.299 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.987 -5.501 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.921 -3.107 -0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.701 -4.824 -0.259 1.00 0.00 H new ATOM 634 N GLY A 47 -3.863 -2.617 5.166 1.00 0.00 N ATOM 635 CA GLY A 47 -2.705 -2.141 5.864 1.00 0.00 C ATOM 636 C GLY A 47 -1.426 -2.522 5.150 1.00 0.00 C ATOM 637 O GLY A 47 -0.367 -1.924 5.386 1.00 0.00 O ATOM 0 H GLY A 47 -4.148 -3.564 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.759 -1.057 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.694 -2.551 6.874 1.00 0.00 H new ATOM 641 N GLY A 48 -1.519 -3.524 4.283 1.00 0.00 N ATOM 642 CA GLY A 48 -0.362 -3.965 3.531 1.00 0.00 C ATOM 643 C GLY A 48 0.133 -5.318 3.990 1.00 0.00 C ATOM 644 O GLY A 48 1.202 -5.779 3.575 1.00 0.00 O ATOM 0 H GLY A 48 -2.378 -4.039 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.615 -4.012 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.438 -3.232 3.635 1.00 0.00 H new ATOM 648 N VAL A 49 -0.646 -5.958 4.844 1.00 0.00 N ATOM 649 CA VAL A 49 -0.316 -7.261 5.379 1.00 0.00 C ATOM 650 C VAL A 49 -0.427 -8.312 4.268 1.00 0.00 C ATOM 651 O VAL A 49 -1.324 -8.231 3.424 1.00 0.00 O ATOM 652 CB VAL A 49 -1.276 -7.599 6.549 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.146 -9.023 7.025 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.053 -6.662 7.714 1.00 0.00 C ATOM 0 H VAL A 49 -1.531 -5.583 5.186 1.00 0.00 H new ATOM 0 HA VAL A 49 0.706 -7.258 5.757 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.285 -7.472 6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.843 -9.198 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.373 -9.703 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.128 -9.199 7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.737 -6.918 8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.025 -6.756 8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.235 -5.636 7.396 1.00 0.00 H new ATOM 664 N ARG A 50 0.505 -9.250 4.252 1.00 0.00 N ATOM 665 CA ARG A 50 0.554 -10.312 3.262 1.00 0.00 C ATOM 666 C ARG A 50 1.057 -11.579 3.863 1.00 0.00 C ATOM 667 O ARG A 50 1.958 -11.570 4.702 1.00 0.00 O ATOM 668 CB ARG A 50 1.413 -9.921 2.051 1.00 0.00 C ATOM 669 CG ARG A 50 0.715 -9.002 1.068 1.00 0.00 C ATOM 670 CD ARG A 50 -0.391 -9.741 0.339 1.00 0.00 C ATOM 671 NE ARG A 50 -1.168 -8.880 -0.544 1.00 0.00 N ATOM 672 CZ ARG A 50 -1.625 -9.236 -1.755 1.00 0.00 C ATOM 673 NH1 ARG A 50 -1.230 -10.390 -2.326 1.00 0.00 N ATOM 674 NH2 ARG A 50 -2.449 -8.429 -2.404 1.00 0.00 N ATOM 0 H ARG A 50 1.260 -9.296 4.937 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.466 -10.472 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.321 -9.434 2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.720 -10.827 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.300 -8.144 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.437 -8.615 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.045 -10.551 -0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.058 -10.198 1.070 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.380 -7.937 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.577 -11.003 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.584 -10.651 -3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.732 -7.544 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.801 -8.692 -3.325 1.00 0.00 H new ATOM 688 N VAL A 51 0.468 -12.644 3.429 1.00 0.00 N ATOM 689 CA VAL A 51 0.787 -13.976 3.852 1.00 0.00 C ATOM 690 C VAL A 51 2.169 -14.352 3.362 1.00 0.00 C ATOM 691 O VAL A 51 2.555 -14.012 2.232 1.00 0.00 O ATOM 692 CB VAL A 51 -0.273 -14.938 3.298 1.00 0.00 C ATOM 693 CG1 VAL A 51 0.091 -16.404 3.499 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.602 -14.651 3.940 1.00 0.00 C ATOM 0 H VAL A 51 -0.283 -12.613 2.739 1.00 0.00 H new ATOM 0 HA VAL A 51 0.787 -14.036 4.940 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.326 -14.769 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.697 -17.034 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.031 -16.619 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.200 -16.609 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.352 -15.336 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.521 -14.785 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.897 -13.624 3.723 1.00 0.00 H new ATOM 704 N GLY A 52 2.910 -15.026 4.199 1.00 0.00 N ATOM 705 CA GLY A 52 4.266 -15.382 3.861 1.00 0.00 C ATOM 706 C GLY A 52 5.215 -14.304 4.310 1.00 0.00 C ATOM 707 O GLY A 52 6.365 -14.236 3.878 1.00 0.00 O ATOM 0 H GLY A 52 2.601 -15.340 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.530 -16.328 4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.354 -15.528 2.784 1.00 0.00 H new ATOM 711 N HIS A 53 4.717 -13.433 5.146 1.00 0.00 N ATOM 712 CA HIS A 53 5.506 -12.374 5.688 1.00 0.00 C ATOM 713 C HIS A 53 5.802 -12.594 7.143 1.00 0.00 C ATOM 714 O HIS A 53 4.930 -12.937 7.922 1.00 0.00 O ATOM 715 CB HIS A 53 4.884 -10.993 5.481 1.00 0.00 C ATOM 716 CG HIS A 53 5.167 -10.346 4.155 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.350 -8.983 4.003 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.274 -10.869 2.921 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.548 -8.706 2.733 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.508 -9.830 2.055 1.00 0.00 N ATOM 0 H HIS A 53 3.749 -13.443 5.468 1.00 0.00 H new ATOM 0 HA HIS A 53 6.442 -12.392 5.130 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.804 -11.079 5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.240 -10.332 6.271 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.334 -8.299 4.759 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.191 -11.914 2.659 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.715 -7.723 2.319 1.00 0.00 H new ATOM 729 N ARG A 54 7.032 -12.396 7.474 1.00 0.00 N ATOM 730 CA ARG A 54 7.533 -12.493 8.817 1.00 0.00 C ATOM 731 C ARG A 54 7.481 -11.120 9.436 1.00 0.00 C ATOM 732 O ARG A 54 8.138 -10.204 8.946 1.00 0.00 O ATOM 733 CB ARG A 54 8.987 -12.995 8.755 1.00 0.00 C ATOM 734 CG ARG A 54 9.829 -12.803 10.011 1.00 0.00 C ATOM 735 CD ARG A 54 11.251 -13.290 9.763 1.00 0.00 C ATOM 736 NE ARG A 54 12.220 -12.723 10.716 1.00 0.00 N ATOM 737 CZ ARG A 54 13.534 -13.017 10.736 1.00 0.00 C ATOM 738 NH1 ARG A 54 13.995 -14.063 10.059 1.00 0.00 N ATOM 739 NH2 ARG A 54 14.371 -12.300 11.478 1.00 0.00 N ATOM 0 H ARG A 54 7.752 -12.152 6.794 1.00 0.00 H new ATOM 0 HA ARG A 54 6.939 -13.184 9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.970 -14.058 8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.487 -12.489 7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.840 -11.750 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.387 -13.352 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.275 -14.378 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.549 -13.027 8.748 1.00 0.00 H new ATOM 0 HE ARG A 54 11.871 -12.061 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.353 -14.646 9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.991 -14.283 10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.019 -11.522 12.036 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.365 -12.527 11.489 1.00 0.00 H new ATOM 753 N ILE A 55 6.675 -10.952 10.437 1.00 0.00 N ATOM 754 CA ILE A 55 6.604 -9.693 11.123 1.00 0.00 C ATOM 755 C ILE A 55 7.773 -9.573 12.060 1.00 0.00 C ATOM 756 O ILE A 55 8.002 -10.436 12.903 1.00 0.00 O ATOM 757 CB ILE A 55 5.312 -9.525 11.930 1.00 0.00 C ATOM 758 CG1 ILE A 55 4.096 -9.737 11.044 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.264 -8.135 12.571 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.818 -9.471 11.757 1.00 0.00 C ATOM 0 H ILE A 55 6.052 -11.673 10.802 1.00 0.00 H new ATOM 0 HA ILE A 55 6.622 -8.914 10.361 1.00 0.00 H new ATOM 0 HB ILE A 55 5.299 -10.277 12.719 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.166 -9.084 10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.095 -10.762 10.673 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.341 -8.029 13.141 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.118 -8.012 13.237 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.298 -7.374 11.792 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.981 -9.637 11.078 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.731 -10.142 12.611 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.803 -8.438 12.105 1.00 0.00 H new ATOM 772 N ILE A 56 8.532 -8.542 11.883 1.00 0.00 N ATOM 773 CA ILE A 56 9.647 -8.312 12.713 1.00 0.00 C ATOM 774 C ILE A 56 9.421 -7.182 13.686 1.00 0.00 C ATOM 775 O ILE A 56 10.176 -7.033 14.631 1.00 0.00 O ATOM 776 CB ILE A 56 10.941 -8.103 11.932 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.876 -6.833 11.125 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.195 -9.298 11.014 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.155 -6.524 10.460 1.00 0.00 C ATOM 0 H ILE A 56 8.389 -7.841 11.156 1.00 0.00 H new ATOM 0 HA ILE A 56 9.765 -9.229 13.291 1.00 0.00 H new ATOM 0 HB ILE A 56 11.764 -8.017 12.641 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.091 -6.923 10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.599 -6.005 11.777 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.121 -9.141 10.460 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.280 -10.205 11.612 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.366 -9.402 10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.055 -5.599 9.891 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.936 -6.406 11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.420 -7.338 9.785 1.00 0.00 H new ATOM 791 N GLU A 57 8.363 -6.420 13.491 1.00 0.00 N ATOM 792 CA GLU A 57 8.106 -5.263 14.350 1.00 0.00 C ATOM 793 C GLU A 57 6.661 -4.949 14.361 1.00 0.00 C ATOM 794 O GLU A 57 5.997 -5.147 13.369 1.00 0.00 O ATOM 795 CB GLU A 57 8.893 -4.022 13.874 1.00 0.00 C ATOM 796 CG GLU A 57 8.572 -2.750 14.661 1.00 0.00 C ATOM 797 CD GLU A 57 9.191 -1.510 14.091 1.00 0.00 C ATOM 798 OE1 GLU A 57 8.547 -0.846 13.243 1.00 0.00 O ATOM 799 OE2 GLU A 57 10.301 -1.149 14.511 1.00 0.00 O ATOM 0 H GLU A 57 7.671 -6.571 12.757 1.00 0.00 H new ATOM 0 HA GLU A 57 8.437 -5.519 15.357 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.961 -4.228 13.953 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.679 -3.850 12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.490 -2.620 14.697 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.913 -2.875 15.689 1.00 0.00 H new ATOM 806 N ILE A 58 6.188 -4.504 15.499 1.00 0.00 N ATOM 807 CA ILE A 58 4.846 -4.040 15.684 1.00 0.00 C ATOM 808 C ILE A 58 4.900 -2.849 16.617 1.00 0.00 C ATOM 809 O ILE A 58 5.523 -2.923 17.666 1.00 0.00 O ATOM 810 CB ILE A 58 3.951 -5.102 16.344 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.859 -6.352 15.482 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.549 -4.523 16.578 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.348 -7.546 16.225 1.00 0.00 C ATOM 0 H ILE A 58 6.751 -4.456 16.348 1.00 0.00 H new ATOM 0 HA ILE A 58 4.429 -3.797 14.707 1.00 0.00 H new ATOM 0 HB ILE A 58 4.395 -5.381 17.300 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.204 -6.153 14.634 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.845 -6.579 15.077 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.917 -5.278 17.046 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.619 -3.653 17.231 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.114 -4.226 15.624 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.307 -8.403 15.553 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.015 -7.770 17.057 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.349 -7.337 16.607 1.00 0.00 H new ATOM 825 N ASN A 59 4.345 -1.742 16.177 1.00 0.00 N ATOM 826 CA ASN A 59 4.148 -0.517 16.978 1.00 0.00 C ATOM 827 C ASN A 59 5.480 0.205 17.312 1.00 0.00 C ATOM 828 O ASN A 59 5.486 1.290 17.884 1.00 0.00 O ATOM 829 CB ASN A 59 3.338 -0.853 18.258 1.00 0.00 C ATOM 830 CG ASN A 59 2.767 0.351 18.976 1.00 0.00 C ATOM 831 OD1 ASN A 59 3.384 0.928 19.872 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.573 0.732 18.594 1.00 0.00 N ATOM 0 H ASN A 59 4.001 -1.649 15.221 1.00 0.00 H new ATOM 0 HA ASN A 59 3.577 0.188 16.373 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.520 -1.521 17.989 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.982 -1.399 18.947 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.125 1.531 19.043 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.092 0.230 17.848 1.00 0.00 H new ATOM 839 N GLY A 60 6.586 -0.376 16.902 1.00 0.00 N ATOM 840 CA GLY A 60 7.878 0.200 17.197 1.00 0.00 C ATOM 841 C GLY A 60 8.767 -0.762 17.955 1.00 0.00 C ATOM 842 O GLY A 60 9.939 -0.464 18.232 1.00 0.00 O ATOM 0 H GLY A 60 6.616 -1.243 16.366 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.367 0.489 16.267 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.744 1.109 17.783 1.00 0.00 H new ATOM 846 N GLN A 61 8.229 -1.913 18.302 1.00 0.00 N ATOM 847 CA GLN A 61 8.992 -2.921 18.996 1.00 0.00 C ATOM 848 C GLN A 61 9.194 -4.114 18.100 1.00 0.00 C ATOM 849 O GLN A 61 8.248 -4.569 17.434 1.00 0.00 O ATOM 850 CB GLN A 61 8.342 -3.301 20.341 1.00 0.00 C ATOM 851 CG GLN A 61 6.950 -3.895 20.231 1.00 0.00 C ATOM 852 CD GLN A 61 6.316 -4.161 21.570 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.614 -3.311 22.125 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.576 -5.313 22.122 1.00 0.00 N ATOM 0 H GLN A 61 7.261 -2.171 18.112 1.00 0.00 H new ATOM 0 HA GLN A 61 9.973 -2.513 19.241 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.987 -4.016 20.851 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.293 -2.411 20.969 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.315 -3.215 19.663 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.002 -4.827 19.668 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.160 -5.992 21.634 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.195 -5.535 23.042 1.00 0.00 H new ATOM 863 N SER A 62 10.422 -4.563 18.004 1.00 0.00 N ATOM 864 CA SER A 62 10.727 -5.713 17.219 1.00 0.00 C ATOM 865 C SER A 62 10.228 -6.979 17.917 1.00 0.00 C ATOM 866 O SER A 62 10.788 -7.433 18.918 1.00 0.00 O ATOM 867 CB SER A 62 12.228 -5.750 16.869 1.00 0.00 C ATOM 868 OG SER A 62 13.042 -5.482 18.009 1.00 0.00 O ATOM 0 H SER A 62 11.226 -4.139 18.467 1.00 0.00 H new ATOM 0 HA SER A 62 10.198 -5.658 16.267 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.483 -6.728 16.462 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.438 -5.016 16.091 1.00 0.00 H new ATOM 0 HG SER A 62 13.987 -5.515 17.751 1.00 0.00 H new ATOM 874 N VAL A 63 9.183 -7.556 17.365 1.00 0.00 N ATOM 875 CA VAL A 63 8.487 -8.658 17.967 1.00 0.00 C ATOM 876 C VAL A 63 8.942 -9.951 17.354 1.00 0.00 C ATOM 877 O VAL A 63 8.347 -11.005 17.535 1.00 0.00 O ATOM 878 CB VAL A 63 6.983 -8.476 17.764 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.548 -7.150 18.391 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.654 -8.514 16.277 1.00 0.00 C ATOM 0 H VAL A 63 8.791 -7.263 16.470 1.00 0.00 H new ATOM 0 HA VAL A 63 8.705 -8.686 19.035 1.00 0.00 H new ATOM 0 HB VAL A 63 6.440 -9.287 18.250 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.476 -7.015 18.249 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.775 -7.160 19.457 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.083 -6.329 17.914 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.581 -8.384 16.138 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.186 -7.711 15.766 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.960 -9.474 15.861 1.00 0.00 H new ATOM 890 N VAL A 64 10.050 -9.867 16.697 1.00 0.00 N ATOM 891 CA VAL A 64 10.615 -10.973 16.007 1.00 0.00 C ATOM 892 C VAL A 64 11.261 -11.948 17.010 1.00 0.00 C ATOM 893 O VAL A 64 11.642 -13.060 16.670 1.00 0.00 O ATOM 894 CB VAL A 64 11.638 -10.466 14.985 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.968 -10.113 15.614 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.756 -11.400 13.823 1.00 0.00 C ATOM 0 H VAL A 64 10.598 -9.009 16.624 1.00 0.00 H new ATOM 0 HA VAL A 64 9.833 -11.514 15.474 1.00 0.00 H new ATOM 0 HB VAL A 64 11.260 -9.525 14.587 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.653 -9.760 14.843 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.822 -9.329 16.357 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.388 -10.996 16.096 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.490 -11.011 13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.076 -12.381 14.175 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.789 -11.490 13.329 1.00 0.00 H new ATOM 906 N ALA A 65 11.362 -11.495 18.242 1.00 0.00 N ATOM 907 CA ALA A 65 11.897 -12.263 19.335 1.00 0.00 C ATOM 908 C ALA A 65 10.834 -12.359 20.425 1.00 0.00 C ATOM 909 O ALA A 65 11.109 -12.695 21.580 1.00 0.00 O ATOM 910 CB ALA A 65 13.147 -11.578 19.859 1.00 0.00 C ATOM 0 H ALA A 65 11.065 -10.557 18.513 1.00 0.00 H new ATOM 0 HA ALA A 65 12.165 -13.268 19.008 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.558 -12.155 20.688 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.887 -11.511 19.061 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.895 -10.575 20.205 1.00 0.00 H new ATOM 916 N THR A 66 9.628 -12.058 20.041 1.00 0.00 N ATOM 917 CA THR A 66 8.510 -12.060 20.896 1.00 0.00 C ATOM 918 C THR A 66 7.693 -13.337 20.612 1.00 0.00 C ATOM 919 O THR A 66 7.548 -13.728 19.451 1.00 0.00 O ATOM 920 CB THR A 66 7.715 -10.771 20.582 1.00 0.00 C ATOM 921 OG1 THR A 66 8.586 -9.645 20.799 1.00 0.00 O ATOM 922 CG2 THR A 66 6.502 -10.613 21.444 1.00 0.00 C ATOM 0 H THR A 66 9.403 -11.796 19.081 1.00 0.00 H new ATOM 0 HA THR A 66 8.775 -12.067 21.953 1.00 0.00 H new ATOM 0 HB THR A 66 7.372 -10.831 19.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.055 -8.869 21.077 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.984 -9.691 21.178 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.834 -11.461 21.291 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.803 -10.572 22.491 1.00 0.00 H new ATOM 930 N PRO A 67 7.239 -14.051 21.655 1.00 0.00 N ATOM 931 CA PRO A 67 6.450 -15.271 21.482 1.00 0.00 C ATOM 932 C PRO A 67 5.042 -14.991 20.925 1.00 0.00 C ATOM 933 O PRO A 67 4.534 -13.860 21.027 1.00 0.00 O ATOM 934 CB PRO A 67 6.371 -15.859 22.896 1.00 0.00 C ATOM 935 CG PRO A 67 6.569 -14.699 23.805 1.00 0.00 C ATOM 936 CD PRO A 67 7.483 -13.750 23.080 1.00 0.00 C ATOM 0 HA PRO A 67 6.906 -15.946 20.757 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.408 -16.338 23.071 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.138 -16.618 23.052 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.618 -14.221 24.039 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.008 -15.016 24.751 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.251 -12.711 23.316 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.526 -13.913 23.351 1.00 0.00 H new ATOM 944 N HIS A 68 4.436 -16.039 20.355 1.00 0.00 N ATOM 945 CA HIS A 68 3.099 -16.029 19.725 1.00 0.00 C ATOM 946 C HIS A 68 2.086 -15.259 20.546 1.00 0.00 C ATOM 947 O HIS A 68 1.449 -14.339 20.042 1.00 0.00 O ATOM 948 CB HIS A 68 2.608 -17.497 19.538 1.00 0.00 C ATOM 949 CG HIS A 68 1.197 -17.676 18.975 1.00 0.00 C ATOM 950 ND1 HIS A 68 0.951 -18.159 17.718 1.00 0.00 N ATOM 951 CD2 HIS A 68 -0.031 -17.469 19.534 1.00 0.00 C ATOM 952 CE1 HIS A 68 -0.350 -18.233 17.517 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.967 -17.822 18.604 1.00 0.00 N ATOM 0 H HIS A 68 4.877 -16.958 20.315 1.00 0.00 H new ATOM 0 HA HIS A 68 3.189 -15.529 18.761 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.307 -18.009 18.877 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.656 -17.999 20.504 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.226 -17.095 20.528 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.829 -18.574 16.611 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.978 -17.775 18.731 1.00 0.00 H new ATOM 962 N GLU A 69 1.956 -15.646 21.797 1.00 0.00 N ATOM 963 CA GLU A 69 0.963 -15.092 22.705 1.00 0.00 C ATOM 964 C GLU A 69 1.108 -13.605 22.803 1.00 0.00 C ATOM 965 O GLU A 69 0.138 -12.875 22.683 1.00 0.00 O ATOM 966 CB GLU A 69 1.150 -15.674 24.076 1.00 0.00 C ATOM 967 CG GLU A 69 0.114 -15.238 25.096 1.00 0.00 C ATOM 968 CD GLU A 69 0.352 -15.850 26.451 1.00 0.00 C ATOM 969 OE1 GLU A 69 1.171 -15.308 27.232 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.269 -16.876 26.771 1.00 0.00 O ATOM 0 H GLU A 69 2.543 -16.364 22.222 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.026 -15.338 22.317 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.131 -16.761 24.000 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.139 -15.398 24.442 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.128 -14.152 25.183 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.879 -15.517 24.744 1.00 0.00 H new ATOM 977 N LYS A 70 2.332 -13.176 22.983 1.00 0.00 N ATOM 978 CA LYS A 70 2.634 -11.791 23.140 1.00 0.00 C ATOM 979 C LYS A 70 2.291 -11.034 21.903 1.00 0.00 C ATOM 980 O LYS A 70 1.503 -10.108 21.965 1.00 0.00 O ATOM 981 CB LYS A 70 4.085 -11.603 23.487 1.00 0.00 C ATOM 982 CG LYS A 70 4.309 -11.057 24.869 1.00 0.00 C ATOM 983 CD LYS A 70 3.732 -11.943 25.938 1.00 0.00 C ATOM 984 CE LYS A 70 3.927 -11.310 27.288 1.00 0.00 C ATOM 985 NZ LYS A 70 3.340 -12.124 28.356 1.00 0.00 N ATOM 0 H LYS A 70 3.146 -13.789 23.024 1.00 0.00 H new ATOM 0 HA LYS A 70 2.030 -11.401 23.959 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.598 -12.560 23.396 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.539 -10.928 22.761 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.379 -10.936 25.040 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.861 -10.066 24.942 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.670 -12.106 25.753 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.214 -12.920 25.912 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.992 -11.175 27.477 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.474 -10.319 27.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.493 -11.657 29.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.319 -12.232 28.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.790 -13.061 28.365 1.00 0.00 H new ATOM 999 N ILE A 71 2.826 -11.479 20.777 1.00 0.00 N ATOM 1000 CA ILE A 71 2.575 -10.855 19.481 1.00 0.00 C ATOM 1001 C ILE A 71 1.069 -10.692 19.258 1.00 0.00 C ATOM 1002 O ILE A 71 0.593 -9.612 18.909 1.00 0.00 O ATOM 1003 CB ILE A 71 3.186 -11.706 18.320 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.695 -11.863 18.505 1.00 0.00 C ATOM 1005 CG2 ILE A 71 2.903 -11.068 16.974 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.380 -12.655 17.409 1.00 0.00 C ATOM 0 H ILE A 71 3.449 -12.285 20.733 1.00 0.00 H new ATOM 0 HA ILE A 71 3.052 -9.875 19.482 1.00 0.00 H new ATOM 0 HB ILE A 71 2.718 -12.690 18.348 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.147 -10.873 18.558 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.883 -12.351 19.461 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.338 -11.679 16.183 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.826 -10.995 16.825 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.341 -10.070 16.945 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.448 -12.718 17.619 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.958 -13.659 17.368 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.227 -12.158 16.451 1.00 0.00 H new ATOM 1018 N VAL A 72 0.327 -11.735 19.568 1.00 0.00 N ATOM 1019 CA VAL A 72 -1.107 -11.727 19.382 1.00 0.00 C ATOM 1020 C VAL A 72 -1.808 -10.816 20.401 1.00 0.00 C ATOM 1021 O VAL A 72 -2.747 -10.090 20.054 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.684 -13.175 19.439 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.208 -13.191 19.429 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.156 -13.974 18.267 1.00 0.00 C ATOM 0 H VAL A 72 0.698 -12.604 19.952 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.305 -11.319 18.391 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.361 -13.623 20.379 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.561 -14.221 19.470 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.583 -12.644 20.294 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.571 -12.719 18.516 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.559 -14.986 18.306 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.461 -13.498 17.335 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.068 -14.014 18.315 1.00 0.00 H new ATOM 1034 N HIS A 73 -1.305 -10.790 21.622 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.952 -10.051 22.697 1.00 0.00 C ATOM 1036 C HIS A 73 -1.750 -8.565 22.476 1.00 0.00 C ATOM 1037 O HIS A 73 -2.673 -7.760 22.657 1.00 0.00 O ATOM 1038 CB HIS A 73 -1.381 -10.459 24.065 1.00 0.00 C ATOM 1039 CG HIS A 73 -2.237 -10.026 25.228 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.233 -8.758 25.754 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -3.144 -10.716 25.955 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -3.089 -8.691 26.745 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -3.650 -9.855 26.884 1.00 0.00 N ATOM 0 H HIS A 73 -0.449 -11.272 21.897 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.017 -10.284 22.691 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.265 -11.542 24.093 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.386 -10.029 24.177 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.416 -11.753 25.825 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.293 -7.816 27.344 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.359 -10.088 27.580 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.554 -8.229 22.055 1.00 0.00 N ATOM 1053 CA ILE A 74 -0.165 -6.883 21.767 1.00 0.00 C ATOM 1054 C ILE A 74 -0.949 -6.362 20.572 1.00 0.00 C ATOM 1055 O ILE A 74 -1.514 -5.266 20.625 1.00 0.00 O ATOM 1056 CB ILE A 74 1.349 -6.850 21.520 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.048 -7.209 22.830 1.00 0.00 C ATOM 1058 CG2 ILE A 74 1.803 -5.485 21.019 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.418 -7.760 22.645 1.00 0.00 C ATOM 0 H ILE A 74 0.191 -8.909 21.901 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.391 -6.230 22.610 1.00 0.00 H new ATOM 0 HB ILE A 74 1.609 -7.570 20.744 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.105 -6.319 23.457 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.442 -7.939 23.367 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.880 -5.498 20.855 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.296 -5.254 20.082 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.558 -4.725 21.761 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.852 -7.992 23.618 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.367 -8.669 22.045 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.041 -7.024 22.136 1.00 0.00 H new ATOM 1071 N LEU A 75 -1.030 -7.177 19.520 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.831 -6.830 18.339 1.00 0.00 C ATOM 1073 C LEU A 75 -3.281 -6.602 18.699 1.00 0.00 C ATOM 1074 O LEU A 75 -3.902 -5.679 18.214 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.733 -7.898 17.254 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.427 -7.944 16.484 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.414 -9.136 15.547 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.239 -6.646 15.703 1.00 0.00 C ATOM 0 H LEU A 75 -0.555 -8.078 19.458 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.417 -5.901 17.947 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.895 -8.872 17.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.545 -7.742 16.544 1.00 0.00 H new ATOM 0 HG LEU A 75 0.398 -8.051 17.188 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.528 -9.158 15.000 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.520 -10.054 16.125 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.241 -9.054 14.842 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.701 -6.686 15.152 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.065 -6.520 15.003 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.219 -5.804 16.395 1.00 0.00 H new ATOM 1090 N SER A 76 -3.799 -7.433 19.565 1.00 0.00 N ATOM 1091 CA SER A 76 -5.167 -7.331 20.011 1.00 0.00 C ATOM 1092 C SER A 76 -5.462 -6.016 20.766 1.00 0.00 C ATOM 1093 O SER A 76 -6.575 -5.521 20.710 1.00 0.00 O ATOM 1094 CB SER A 76 -5.542 -8.545 20.864 1.00 0.00 C ATOM 1095 OG SER A 76 -5.398 -9.759 20.117 1.00 0.00 O ATOM 0 H SER A 76 -3.281 -8.205 19.985 1.00 0.00 H new ATOM 0 HA SER A 76 -5.789 -7.316 19.116 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.909 -8.581 21.750 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.571 -8.447 21.211 1.00 0.00 H new ATOM 0 HG SER A 76 -4.446 -9.970 20.016 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.458 -5.426 21.408 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.696 -4.228 22.229 1.00 0.00 C ATOM 1103 C ASN A 77 -4.236 -2.929 21.592 1.00 0.00 C ATOM 1104 O ASN A 77 -4.566 -1.850 22.093 1.00 0.00 O ATOM 1105 CB ASN A 77 -4.103 -4.373 23.632 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.897 -5.320 24.497 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.820 -4.901 25.206 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.564 -6.581 24.454 1.00 0.00 N ATOM 0 H ASN A 77 -3.489 -5.744 21.382 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.781 -4.160 22.306 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.076 -4.730 23.554 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.064 -3.394 24.110 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.072 -7.262 25.019 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.796 -6.886 23.856 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.503 -3.004 20.517 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.999 -1.806 19.874 1.00 0.00 C ATOM 1117 C ALA A 78 -3.940 -1.348 18.779 1.00 0.00 C ATOM 1118 O ALA A 78 -4.412 -2.167 17.996 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.585 -2.042 19.312 1.00 0.00 C ATOM 0 H ALA A 78 -3.237 -3.877 20.062 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.940 -1.018 20.624 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.227 -1.130 18.834 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.911 -2.315 20.124 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.615 -2.848 18.579 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.247 -0.051 18.750 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.067 0.528 17.692 1.00 0.00 C ATOM 1127 C VAL A 79 -4.359 1.767 17.121 1.00 0.00 C ATOM 1128 O VAL A 79 -3.257 2.116 17.570 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.526 0.906 18.155 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -7.136 -0.143 18.949 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.661 2.244 18.810 1.00 0.00 C ATOM 0 H VAL A 79 -3.937 0.620 19.453 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.182 -0.239 16.926 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.084 0.998 17.223 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.140 0.162 19.245 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.194 -1.058 18.360 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.534 -0.322 19.840 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.701 2.408 19.091 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.035 2.277 19.702 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.345 3.023 18.116 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.986 2.427 16.170 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.427 3.590 15.541 1.00 0.00 C ATOM 1143 C GLY A 80 -3.478 3.198 14.464 1.00 0.00 C ATOM 1144 O GLY A 80 -3.626 2.112 13.879 1.00 0.00 O ATOM 0 H GLY A 80 -5.905 2.164 15.814 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.225 4.204 15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.911 4.199 16.283 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.549 4.069 14.169 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.489 3.786 13.237 1.00 0.00 C ATOM 1150 C GLU A 81 -0.496 2.842 13.867 1.00 0.00 C ATOM 1151 O GLU A 81 0.201 3.183 14.837 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.801 5.060 12.795 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.628 5.906 11.865 1.00 0.00 C ATOM 1154 CD GLU A 81 -0.987 7.228 11.594 1.00 0.00 C ATOM 1155 OE1 GLU A 81 0.020 7.288 10.844 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -1.473 8.239 12.119 1.00 0.00 O ATOM 0 H GLU A 81 -2.506 5.005 14.573 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.919 3.315 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.546 5.649 13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.136 4.803 12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.775 5.374 10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.615 6.064 12.299 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.445 1.672 13.346 1.00 0.00 N ATOM 1164 CA ILE A 82 0.412 0.652 13.859 1.00 0.00 C ATOM 1165 C ILE A 82 1.396 0.268 12.792 1.00 0.00 C ATOM 1166 O ILE A 82 1.009 -0.196 11.716 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.413 -0.585 14.283 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.447 -0.181 15.338 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.503 -1.687 14.829 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.479 -1.234 15.612 1.00 0.00 C ATOM 0 H ILE A 82 -1.002 1.385 12.541 1.00 0.00 H new ATOM 0 HA ILE A 82 0.939 1.028 14.736 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.931 -0.977 13.408 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.929 0.057 16.267 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.949 0.729 15.011 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.098 -2.548 15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.213 -1.985 14.058 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.046 -1.312 15.697 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.175 -0.873 16.370 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.024 -1.456 14.695 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.989 -2.139 15.971 1.00 0.00 H new ATOM 1182 N HIS A 83 2.643 0.492 13.078 1.00 0.00 N ATOM 1183 CA HIS A 83 3.716 0.152 12.171 1.00 0.00 C ATOM 1184 C HIS A 83 4.142 -1.235 12.423 1.00 0.00 C ATOM 1185 O HIS A 83 4.338 -1.618 13.553 1.00 0.00 O ATOM 1186 CB HIS A 83 4.947 1.050 12.376 1.00 0.00 C ATOM 1187 CG HIS A 83 4.816 2.454 11.913 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.636 2.999 10.954 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.985 3.444 12.300 1.00 0.00 C ATOM 1190 CE1 HIS A 83 5.304 4.259 10.773 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.308 4.548 11.575 1.00 0.00 N ATOM 0 H HIS A 83 2.955 0.918 13.951 1.00 0.00 H new ATOM 0 HA HIS A 83 3.338 0.285 11.157 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.191 1.061 13.438 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.793 0.596 11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.208 3.373 13.047 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.773 4.941 10.080 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.849 5.456 11.644 1.00 0.00 H new ATOM 1200 N MET A 84 4.223 -1.989 11.414 1.00 0.00 N ATOM 1201 CA MET A 84 4.794 -3.274 11.509 1.00 0.00 C ATOM 1202 C MET A 84 5.808 -3.390 10.432 1.00 0.00 C ATOM 1203 O MET A 84 5.688 -2.741 9.402 1.00 0.00 O ATOM 1204 CB MET A 84 3.790 -4.386 11.320 1.00 0.00 C ATOM 1205 CG MET A 84 2.615 -4.404 12.267 1.00 0.00 C ATOM 1206 SD MET A 84 1.648 -5.900 12.062 1.00 0.00 S ATOM 1207 CE MET A 84 1.671 -6.026 10.282 1.00 0.00 C ATOM 0 H MET A 84 3.893 -1.738 10.482 1.00 0.00 H new ATOM 0 HA MET A 84 5.215 -3.380 12.509 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.406 -4.329 10.302 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.314 -5.337 11.410 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.971 -4.335 13.295 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.986 -3.532 12.088 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.908 -6.734 9.957 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.468 -5.048 9.845 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.651 -6.373 9.954 1.00 0.00 H new ATOM 1217 N LYS A 85 6.769 -4.193 10.628 1.00 0.00 N ATOM 1218 CA LYS A 85 7.760 -4.402 9.625 1.00 0.00 C ATOM 1219 C LYS A 85 7.696 -5.829 9.276 1.00 0.00 C ATOM 1220 O LYS A 85 7.780 -6.678 10.146 1.00 0.00 O ATOM 1221 CB LYS A 85 9.156 -4.047 10.118 1.00 0.00 C ATOM 1222 CG LYS A 85 9.396 -2.602 10.448 1.00 0.00 C ATOM 1223 CD LYS A 85 9.429 -1.731 9.219 1.00 0.00 C ATOM 1224 CE LYS A 85 10.183 -0.459 9.513 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.186 0.488 8.376 1.00 0.00 N ATOM 0 H LYS A 85 6.905 -4.732 11.483 1.00 0.00 H new ATOM 0 HA LYS A 85 7.566 -3.760 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.366 -4.641 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.875 -4.348 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.612 -2.250 11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.341 -2.506 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.905 -2.265 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.413 -1.497 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.740 0.027 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.212 -0.706 9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.149 0.567 7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.545 0.141 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.865 1.422 8.701 1.00 0.00 H new ATOM 1239 N THR A 86 7.477 -6.106 8.059 1.00 0.00 N ATOM 1240 CA THR A 86 7.344 -7.459 7.649 1.00 0.00 C ATOM 1241 C THR A 86 8.371 -7.812 6.585 1.00 0.00 C ATOM 1242 O THR A 86 8.714 -6.983 5.750 1.00 0.00 O ATOM 1243 CB THR A 86 5.913 -7.755 7.140 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.624 -7.016 5.933 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.872 -7.401 8.191 1.00 0.00 C ATOM 0 H THR A 86 7.383 -5.416 7.314 1.00 0.00 H new ATOM 0 HA THR A 86 7.528 -8.084 8.523 1.00 0.00 H new ATOM 0 HB THR A 86 5.867 -8.823 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.098 -6.159 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.876 -7.620 7.805 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.049 -7.989 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.943 -6.340 8.431 1.00 0.00 H new ATOM 1253 N MET A 87 8.870 -9.015 6.634 1.00 0.00 N ATOM 1254 CA MET A 87 9.819 -9.497 5.671 1.00 0.00 C ATOM 1255 C MET A 87 9.116 -10.546 4.864 1.00 0.00 C ATOM 1256 O MET A 87 8.105 -11.044 5.313 1.00 0.00 O ATOM 1257 CB MET A 87 11.017 -10.158 6.391 1.00 0.00 C ATOM 1258 CG MET A 87 11.823 -9.242 7.289 1.00 0.00 C ATOM 1259 SD MET A 87 13.155 -10.106 8.156 1.00 0.00 S ATOM 1260 CE MET A 87 14.165 -10.678 6.787 1.00 0.00 C ATOM 0 H MET A 87 8.626 -9.697 7.353 1.00 0.00 H new ATOM 0 HA MET A 87 10.187 -8.678 5.052 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.645 -10.990 6.989 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.684 -10.579 5.639 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.248 -8.436 6.691 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.159 -8.781 8.020 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.153 -10.954 7.154 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.694 -11.546 6.325 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.262 -9.882 6.049 1.00 0.00 H new ATOM 1270 N PRO A 88 9.625 -10.957 3.692 1.00 0.00 N ATOM 1271 CA PRO A 88 9.066 -12.097 2.931 1.00 0.00 C ATOM 1272 C PRO A 88 9.542 -13.417 3.568 1.00 0.00 C ATOM 1273 O PRO A 88 9.721 -14.434 2.896 1.00 0.00 O ATOM 1274 CB PRO A 88 9.685 -11.924 1.527 1.00 0.00 C ATOM 1275 CG PRO A 88 10.359 -10.593 1.544 1.00 0.00 C ATOM 1276 CD PRO A 88 10.742 -10.355 2.967 1.00 0.00 C ATOM 0 HA PRO A 88 7.976 -12.123 2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.397 -12.721 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.918 -11.965 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.236 -10.589 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.692 -9.811 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.692 -10.827 3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.846 -9.293 3.188 1.00 0.00 H new ATOM 1284 N ALA A 89 9.763 -13.331 4.892 1.00 0.00 N ATOM 1285 CA ALA A 89 10.240 -14.388 5.771 1.00 0.00 C ATOM 1286 C ALA A 89 11.681 -14.768 5.475 1.00 0.00 C ATOM 1287 O ALA A 89 12.212 -15.740 6.021 1.00 0.00 O ATOM 1288 CB ALA A 89 9.289 -15.564 5.777 1.00 0.00 C ATOM 0 H ALA A 89 9.599 -12.461 5.399 1.00 0.00 H new ATOM 0 HA ALA A 89 10.250 -14.002 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.672 -16.338 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.309 -15.238 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.200 -15.965 4.767 1.00 0.00 H new ATOM 1294 N ALA A 90 12.306 -13.935 4.666 1.00 0.00 N ATOM 1295 CA ALA A 90 13.669 -14.043 4.235 1.00 0.00 C ATOM 1296 C ALA A 90 13.895 -12.906 3.260 1.00 0.00 C ATOM 1297 O ALA A 90 13.713 -13.124 2.046 1.00 0.00 O ATOM 1298 CB ALA A 90 13.934 -15.387 3.544 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.145 -11.778 3.701 1.00 0.00 O ATOM 0 H ALA A 90 11.839 -13.118 4.273 1.00 0.00 H new ATOM 0 HA ALA A 90 14.345 -13.989 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.977 -15.435 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.726 -16.201 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.288 -15.481 2.671 1.00 0.00 H new