USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 80 HIS :FLIP no HD1:sc= 0.322 F(o=-3,f=-2.1) USER MOD Set 1.2: A 103 ACO O2B : rot 29:sc= -2.47! USER MOD Set 2.1: A 37 ASN : amide:sc= 0.87 K(o=1.9,f=-0.03) USER MOD Set 2.2: A 74 SER OG : rot 121:sc= 1.04 USER MOD Set 3.1: A 63 HIS : no HD1:sc= -0.332 K(o=-0.68,f=-2.1) USER MOD Set 3.2: A 67 ASN :FLIP amide:sc= -0.348 F(o=-1.3!,f=-0.68) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.527 (180deg=0.0283!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0778 (180deg=-0.349) USER MOD Single : A 8 GLN : amide:sc= 0.0665 K(o=0.066,f=-3.5!) USER MOD Single : A 11 ASN : amide:sc= 1.6 K(o=1.6,f=-0.058) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 1.22 (180deg=0.513) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0203 K(o=-0.02,f=-0.57) USER MOD Single : A 21 ASN : amide:sc= 0.078 K(o=0.078,f=-0.66) USER MOD Single : A 27 THR OG1 : rot 95:sc= -2.9! USER MOD Single : A 28 TYR OH : rot -38:sc= 0.0232 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 34 ASN : amide:sc= 0.0772 K(o=0.077,f=-4.1!) USER MOD Single : A 40 HIS : no HE2:sc= 0.975 K(o=0.98,f=-6.1!) USER MOD Single : A 41 THR OG1 : rot -89:sc= -1.12 USER MOD Single : A 44 SER OG : rot 79:sc= 0.303 USER MOD Single : A 50 GLN : amide:sc= 0.457 K(o=0.46,f=-0.37) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 1.15 (180deg=-1.08) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.97) USER MOD Single : A 58 LYS NZ :NH3+ -131:sc= 1.25 (180deg=0.276) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= -0.0392 (180deg=-0.203) USER MOD Single : A 75 CYS SG : rot -65:sc= 0.0865 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0072 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 0.0992 (180deg=0.0899) USER MOD Single : A 81 MET CE :methyl -151:sc= -0.836 (180deg=-2.44!) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0914 (180deg=-0.371) USER MOD Single : A 87 SER OG : rot -74:sc= -0.345 USER MOD Single : A 88 TYR OH : rot 180:sc=-0.00366 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.193 F(o=-0.98,f=-0.19) USER MOD Single : A 92 TYR OH : rot 150:sc= 2.27 USER MOD Single : A 97 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.1!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 99 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.0015) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ACO OAP : rot 180:sc= -0.037 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.442 1.572 7.998 1.00 6.95 N ATOM 2 CA MET A 1 20.345 0.152 8.387 1.00 6.01 C ATOM 3 C MET A 1 20.101 -0.709 7.153 1.00 5.28 C ATOM 4 O MET A 1 18.962 -1.093 6.870 1.00 5.28 O ATOM 5 CB MET A 1 19.219 -0.043 9.401 1.00 5.80 C ATOM 6 CG MET A 1 19.273 -1.384 10.109 1.00 6.10 C ATOM 7 SD MET A 1 20.864 -1.674 10.898 1.00 6.20 S ATOM 8 CE MET A 1 20.631 -3.330 11.530 1.00 6.73 C ATOM 0 H1 MET A 1 20.027 2.166 8.745 1.00 6.95 H new ATOM 0 H2 MET A 1 21.441 1.828 7.867 1.00 6.95 H new ATOM 0 H3 MET A 1 19.926 1.724 7.108 1.00 6.95 H new ATOM 0 HA MET A 1 21.284 -0.153 8.849 1.00 6.01 H new ATOM 0 HB2 MET A 1 19.266 0.754 10.143 1.00 5.80 H new ATOM 0 HB3 MET A 1 18.260 0.052 8.891 1.00 5.80 H new ATOM 0 HG2 MET A 1 18.484 -1.428 10.860 1.00 6.10 H new ATOM 0 HG3 MET A 1 19.075 -2.180 9.391 1.00 6.10 H new ATOM 0 HE1 MET A 1 21.535 -3.652 12.047 1.00 6.73 H new ATOM 0 HE2 MET A 1 19.792 -3.339 12.225 1.00 6.73 H new ATOM 0 HE3 MET A 1 20.425 -4.009 10.703 1.00 6.73 H new ATOM 20 N SER A 2 21.182 -0.990 6.422 1.00 5.03 N ATOM 21 CA SER A 2 21.132 -1.785 5.197 1.00 4.69 C ATOM 22 C SER A 2 20.378 -1.031 4.101 1.00 3.60 C ATOM 23 O SER A 2 20.990 -0.415 3.229 1.00 3.51 O ATOM 24 CB SER A 2 20.490 -3.155 5.458 1.00 5.46 C ATOM 25 OG SER A 2 21.068 -3.783 6.593 1.00 6.47 O ATOM 0 H SER A 2 22.119 -0.670 6.666 1.00 5.03 H new ATOM 0 HA SER A 2 22.154 -1.954 4.857 1.00 4.69 H new ATOM 0 HB2 SER A 2 19.418 -3.034 5.612 1.00 5.46 H new ATOM 0 HB3 SER A 2 20.616 -3.792 4.582 1.00 5.46 H new ATOM 0 HG SER A 2 20.641 -4.653 6.739 1.00 6.47 H new ATOM 31 N ASN A 3 19.054 -1.058 4.170 1.00 3.10 N ATOM 32 CA ASN A 3 18.206 -0.382 3.196 1.00 2.27 C ATOM 33 C ASN A 3 16.761 -0.404 3.673 1.00 2.15 C ATOM 34 O ASN A 3 15.833 -0.231 2.890 1.00 2.83 O ATOM 35 CB ASN A 3 18.314 -1.049 1.812 1.00 2.40 C ATOM 36 CG ASN A 3 17.898 -2.512 1.812 1.00 2.63 C ATOM 37 OD1 ASN A 3 16.715 -2.836 1.734 1.00 2.70 O ATOM 38 ND2 ASN A 3 18.874 -3.408 1.873 1.00 3.35 N ATOM 0 H ASN A 3 18.538 -1.548 4.901 1.00 3.10 H new ATOM 0 HA ASN A 3 18.543 0.650 3.102 1.00 2.27 H new ATOM 0 HB2 ASN A 3 17.692 -0.502 1.104 1.00 2.40 H new ATOM 0 HB3 ASN A 3 19.342 -0.971 1.459 1.00 2.40 H new ATOM 0 HD21 ASN A 3 18.654 -4.404 1.856 1.00 3.35 H new ATOM 0 HD22 ASN A 3 19.845 -3.101 1.937 1.00 3.35 H new ATOM 45 N LEU A 4 16.589 -0.573 4.983 1.00 1.64 N ATOM 46 CA LEU A 4 15.262 -0.660 5.584 1.00 1.54 C ATOM 47 C LEU A 4 14.622 0.712 5.767 1.00 1.65 C ATOM 48 O LEU A 4 13.463 0.810 6.171 1.00 2.49 O ATOM 49 CB LEU A 4 15.347 -1.367 6.938 1.00 1.47 C ATOM 50 CG LEU A 4 16.010 -2.743 6.912 1.00 1.63 C ATOM 51 CD1 LEU A 4 16.214 -3.259 8.326 1.00 2.06 C ATOM 52 CD2 LEU A 4 15.174 -3.725 6.104 1.00 2.10 C ATOM 0 H LEU A 4 17.357 -0.653 5.650 1.00 1.64 H new ATOM 0 HA LEU A 4 14.634 -1.232 4.901 1.00 1.54 H new ATOM 0 HB2 LEU A 4 15.898 -0.729 7.629 1.00 1.47 H new ATOM 0 HB3 LEU A 4 14.339 -1.475 7.338 1.00 1.47 H new ATOM 0 HG LEU A 4 16.985 -2.646 6.433 1.00 1.63 H new ATOM 0 HD11 LEU A 4 16.687 -4.240 8.290 1.00 2.06 H new ATOM 0 HD12 LEU A 4 16.852 -2.568 8.877 1.00 2.06 H new ATOM 0 HD13 LEU A 4 15.249 -3.340 8.827 1.00 2.06 H new ATOM 0 HD21 LEU A 4 15.663 -4.699 6.097 1.00 2.10 H new ATOM 0 HD22 LEU A 4 14.186 -3.818 6.554 1.00 2.10 H new ATOM 0 HD23 LEU A 4 15.074 -3.362 5.081 1.00 2.10 H new ATOM 64 N GLU A 5 15.384 1.767 5.501 1.00 1.13 N ATOM 65 CA GLU A 5 14.876 3.128 5.637 1.00 1.19 C ATOM 66 C GLU A 5 13.877 3.442 4.526 1.00 1.05 C ATOM 67 O GLU A 5 14.232 3.450 3.343 1.00 1.01 O ATOM 68 CB GLU A 5 16.022 4.145 5.611 1.00 1.48 C ATOM 69 CG GLU A 5 17.069 3.925 6.692 1.00 1.61 C ATOM 70 CD GLU A 5 18.220 3.068 6.217 1.00 2.22 C ATOM 71 OE1 GLU A 5 19.125 3.600 5.544 1.00 2.91 O ATOM 72 OE2 GLU A 5 18.234 1.860 6.513 1.00 2.57 O ATOM 0 H GLU A 5 16.354 1.707 5.191 1.00 1.13 H new ATOM 0 HA GLU A 5 14.369 3.201 6.599 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.507 4.105 4.636 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.607 5.147 5.720 1.00 1.48 H new ATOM 0 HG2 GLU A 5 17.452 4.890 7.024 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.601 3.453 7.556 1.00 1.61 H new ATOM 79 N ILE A 6 12.633 3.704 4.918 1.00 1.00 N ATOM 80 CA ILE A 6 11.566 4.014 3.971 1.00 0.88 C ATOM 81 C ILE A 6 11.891 5.269 3.169 1.00 0.86 C ATOM 82 O ILE A 6 12.011 6.362 3.721 1.00 0.90 O ATOM 83 CB ILE A 6 10.209 4.212 4.685 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.902 3.024 5.598 1.00 0.94 C ATOM 85 CG2 ILE A 6 9.094 4.395 3.661 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.789 3.291 6.587 1.00 0.92 C ATOM 0 H ILE A 6 12.337 3.708 5.894 1.00 1.00 H new ATOM 0 HA ILE A 6 11.489 3.161 3.297 1.00 0.88 H new ATOM 0 HB ILE A 6 10.271 5.110 5.299 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.632 2.165 4.984 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.805 2.754 6.145 1.00 0.94 H new ATOM 0 HG21 ILE A 6 8.144 4.533 4.178 1.00 0.79 H new ATOM 0 HG22 ILE A 6 9.304 5.271 3.047 1.00 0.79 H new ATOM 0 HG23 ILE A 6 9.036 3.512 3.025 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.627 2.405 7.200 1.00 0.92 H new ATOM 0 HD12 ILE A 6 9.064 4.130 7.227 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.873 3.531 6.048 1.00 0.92 H new ATOM 98 N LYS A 7 12.050 5.103 1.867 1.00 0.86 N ATOM 99 CA LYS A 7 12.358 6.218 0.988 1.00 0.89 C ATOM 100 C LYS A 7 11.076 6.828 0.441 1.00 0.79 C ATOM 101 O LYS A 7 10.129 6.111 0.110 1.00 0.74 O ATOM 102 CB LYS A 7 13.248 5.755 -0.166 1.00 0.99 C ATOM 103 CG LYS A 7 14.657 5.376 0.254 1.00 1.10 C ATOM 104 CD LYS A 7 15.491 6.603 0.578 1.00 1.61 C ATOM 105 CE LYS A 7 16.872 6.222 1.079 1.00 1.77 C ATOM 106 NZ LYS A 7 16.808 5.418 2.327 1.00 2.23 N ATOM 0 H LYS A 7 11.970 4.203 1.394 1.00 0.86 H new ATOM 0 HA LYS A 7 12.892 6.974 1.563 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.781 4.897 -0.650 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.303 6.550 -0.910 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.615 4.723 1.126 1.00 1.10 H new ATOM 0 HG3 LYS A 7 15.136 4.810 -0.545 1.00 1.10 H new ATOM 0 HD2 LYS A 7 15.585 7.225 -0.312 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.981 7.201 1.333 1.00 1.61 H new ATOM 0 HE2 LYS A 7 17.394 5.655 0.308 1.00 1.77 H new ATOM 0 HE3 LYS A 7 17.455 7.125 1.259 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.739 5.422 2.790 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 16.100 5.829 2.969 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 16.540 4.440 2.097 1.00 2.23 H new ATOM 120 N GLN A 8 11.052 8.147 0.354 1.00 0.81 N ATOM 121 CA GLN A 8 9.887 8.854 -0.153 1.00 0.78 C ATOM 122 C GLN A 8 10.002 9.053 -1.660 1.00 0.90 C ATOM 123 O GLN A 8 11.093 9.289 -2.183 1.00 1.15 O ATOM 124 CB GLN A 8 9.723 10.209 0.554 1.00 0.93 C ATOM 125 CG GLN A 8 10.867 11.187 0.310 1.00 1.29 C ATOM 126 CD GLN A 8 12.042 10.965 1.243 1.00 1.76 C ATOM 127 OE1 GLN A 8 12.942 10.177 0.952 1.00 2.52 O ATOM 128 NE2 GLN A 8 12.040 11.654 2.370 1.00 1.94 N ATOM 0 H GLN A 8 11.827 8.751 0.628 1.00 0.81 H new ATOM 0 HA GLN A 8 9.003 8.250 0.054 1.00 0.78 H new ATOM 0 HB2 GLN A 8 8.791 10.668 0.223 1.00 0.93 H new ATOM 0 HB3 GLN A 8 9.630 10.037 1.626 1.00 0.93 H new ATOM 0 HG2 GLN A 8 11.206 11.092 -0.722 1.00 1.29 H new ATOM 0 HG3 GLN A 8 10.500 12.206 0.432 1.00 1.29 H new ATOM 0 HE21 GLN A 8 11.275 12.297 2.573 1.00 1.94 H new ATOM 0 HE22 GLN A 8 12.804 11.543 3.037 1.00 1.94 H new ATOM 137 N GLY A 9 8.882 8.933 -2.351 1.00 0.87 N ATOM 138 CA GLY A 9 8.869 9.113 -3.787 1.00 1.04 C ATOM 139 C GLY A 9 7.665 9.908 -4.233 1.00 0.71 C ATOM 140 O GLY A 9 6.893 10.375 -3.396 1.00 0.83 O ATOM 0 H GLY A 9 7.975 8.713 -1.941 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.780 9.624 -4.099 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.866 8.139 -4.277 1.00 1.04 H new ATOM 144 N GLU A 10 7.497 10.062 -5.538 1.00 1.04 N ATOM 145 CA GLU A 10 6.369 10.811 -6.079 1.00 0.82 C ATOM 146 C GLU A 10 5.055 10.078 -5.821 1.00 0.70 C ATOM 147 O GLU A 10 4.677 9.176 -6.573 1.00 0.72 O ATOM 148 CB GLU A 10 6.558 11.055 -7.575 1.00 0.79 C ATOM 149 CG GLU A 10 7.452 12.243 -7.881 1.00 1.82 C ATOM 150 CD GLU A 10 7.850 12.310 -9.336 1.00 2.48 C ATOM 151 OE1 GLU A 10 6.991 12.650 -10.175 1.00 2.65 O ATOM 152 OE2 GLU A 10 9.029 12.036 -9.650 1.00 3.19 O ATOM 0 H GLU A 10 8.127 9.679 -6.243 1.00 1.04 H new ATOM 0 HA GLU A 10 6.327 11.775 -5.571 1.00 0.82 H new ATOM 0 HB2 GLU A 10 6.984 10.161 -8.031 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.583 11.214 -8.036 1.00 0.79 H new ATOM 0 HG2 GLU A 10 6.935 13.162 -7.607 1.00 1.82 H new ATOM 0 HG3 GLU A 10 8.349 12.186 -7.265 1.00 1.82 H new ATOM 159 N ASN A 11 4.380 10.468 -4.738 1.00 0.63 N ATOM 160 CA ASN A 11 3.104 9.871 -4.337 1.00 0.59 C ATOM 161 C ASN A 11 3.272 8.383 -4.063 1.00 0.47 C ATOM 162 O ASN A 11 2.373 7.581 -4.330 1.00 0.44 O ATOM 163 CB ASN A 11 2.040 10.099 -5.412 1.00 0.71 C ATOM 164 CG ASN A 11 0.962 11.065 -4.965 1.00 0.73 C ATOM 165 OD1 ASN A 11 1.089 12.281 -5.136 1.00 1.10 O ATOM 166 ND2 ASN A 11 -0.111 10.535 -4.399 1.00 1.38 N ATOM 0 H ASN A 11 4.703 11.207 -4.114 1.00 0.63 H new ATOM 0 HA ASN A 11 2.774 10.356 -3.418 1.00 0.59 H new ATOM 0 HB2 ASN A 11 2.516 10.483 -6.314 1.00 0.71 H new ATOM 0 HB3 ASN A 11 1.583 9.145 -5.674 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -0.872 11.137 -4.086 1.00 1.38 H new ATOM 0 HD22 ASN A 11 -0.176 9.525 -4.276 1.00 1.38 H new ATOM 173 N LYS A 12 4.427 8.020 -3.515 1.00 0.45 N ATOM 174 CA LYS A 12 4.720 6.627 -3.221 1.00 0.43 C ATOM 175 C LYS A 12 5.831 6.494 -2.186 1.00 0.46 C ATOM 176 O LYS A 12 6.491 7.473 -1.829 1.00 0.55 O ATOM 177 CB LYS A 12 5.133 5.896 -4.502 1.00 0.50 C ATOM 178 CG LYS A 12 6.529 6.256 -4.982 1.00 0.65 C ATOM 179 CD LYS A 12 6.933 5.438 -6.195 1.00 0.59 C ATOM 180 CE LYS A 12 8.440 5.345 -6.316 1.00 0.73 C ATOM 181 NZ LYS A 12 8.859 4.821 -7.640 1.00 0.94 N ATOM 0 H LYS A 12 5.172 8.671 -3.267 1.00 0.45 H new ATOM 0 HA LYS A 12 3.814 6.179 -2.812 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.083 4.821 -4.330 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.416 6.127 -5.290 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.567 7.317 -5.229 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.245 6.091 -4.177 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.509 4.437 -6.119 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.520 5.891 -7.096 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.878 6.331 -6.161 1.00 0.73 H new ATOM 0 HE3 LYS A 12 8.828 4.697 -5.530 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.804 4.395 -7.561 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.180 4.101 -7.959 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.887 5.600 -8.329 1.00 0.94 H new ATOM 195 N PHE A 13 6.029 5.269 -1.724 1.00 0.46 N ATOM 196 CA PHE A 13 7.067 4.952 -0.756 1.00 0.50 C ATOM 197 C PHE A 13 7.776 3.685 -1.210 1.00 0.50 C ATOM 198 O PHE A 13 7.128 2.757 -1.698 1.00 0.46 O ATOM 199 CB PHE A 13 6.473 4.744 0.645 1.00 0.51 C ATOM 200 CG PHE A 13 5.872 5.981 1.246 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.666 7.077 1.542 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.515 6.049 1.509 1.00 0.54 C ATOM 203 CE1 PHE A 13 6.116 8.218 2.091 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.958 7.187 2.058 1.00 0.59 C ATOM 205 CZ PHE A 13 4.758 8.266 2.365 1.00 0.65 C ATOM 0 H PHE A 13 5.472 4.464 -2.011 1.00 0.46 H new ATOM 0 HA PHE A 13 7.770 5.783 -0.699 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.707 3.970 0.592 1.00 0.51 H new ATOM 0 HB3 PHE A 13 7.255 4.374 1.308 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.726 7.038 1.341 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.884 5.202 1.282 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.742 9.071 2.306 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.896 7.231 2.247 1.00 0.59 H new ATOM 0 HZ PHE A 13 4.328 9.147 2.818 1.00 0.65 H new ATOM 215 N TYR A 14 9.093 3.643 -1.083 1.00 0.60 N ATOM 216 CA TYR A 14 9.840 2.468 -1.508 1.00 0.64 C ATOM 217 C TYR A 14 10.980 2.142 -0.551 1.00 0.69 C ATOM 218 O TYR A 14 11.547 3.026 0.090 1.00 0.75 O ATOM 219 CB TYR A 14 10.369 2.633 -2.946 1.00 0.67 C ATOM 220 CG TYR A 14 11.227 3.864 -3.186 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.653 5.122 -3.335 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.611 3.765 -3.275 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.432 6.241 -3.562 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.394 4.880 -3.500 1.00 1.04 C ATOM 225 CZ TYR A 14 12.802 6.115 -3.643 1.00 1.03 C ATOM 226 OH TYR A 14 13.584 7.229 -3.860 1.00 1.16 O ATOM 0 H TYR A 14 9.661 4.396 -0.695 1.00 0.60 H new ATOM 0 HA TYR A 14 9.146 1.628 -1.492 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.951 1.749 -3.205 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.518 2.665 -3.627 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.580 5.226 -3.272 1.00 0.79 H new ATOM 0 HD2 TYR A 14 13.082 2.799 -3.166 1.00 0.93 H new ATOM 0 HE1 TYR A 14 10.969 7.210 -3.675 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.468 4.784 -3.564 1.00 1.04 H new ATOM 0 HH TYR A 14 14.528 6.966 -3.889 1.00 1.16 H new ATOM 236 N ILE A 15 11.286 0.860 -0.455 1.00 0.71 N ATOM 237 CA ILE A 15 12.353 0.364 0.396 1.00 0.78 C ATOM 238 C ILE A 15 13.269 -0.533 -0.427 1.00 0.92 C ATOM 239 O ILE A 15 12.800 -1.446 -1.113 1.00 0.92 O ATOM 240 CB ILE A 15 11.798 -0.433 1.607 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.209 0.516 2.652 1.00 0.67 C ATOM 242 CG2 ILE A 15 12.881 -1.303 2.236 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.496 -0.197 3.781 1.00 0.71 C ATOM 0 H ILE A 15 10.797 0.128 -0.970 1.00 0.71 H new ATOM 0 HA ILE A 15 12.905 1.219 0.785 1.00 0.78 H new ATOM 0 HB ILE A 15 11.006 -1.086 1.241 1.00 0.73 H new ATOM 0 HG12 ILE A 15 12.009 1.128 3.068 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.510 1.194 2.162 1.00 0.67 H new ATOM 0 HG21 ILE A 15 12.463 -1.849 3.082 1.00 0.80 H new ATOM 0 HG22 ILE A 15 13.255 -2.010 1.496 1.00 0.80 H new ATOM 0 HG23 ILE A 15 13.700 -0.672 2.581 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.104 0.537 4.485 1.00 0.71 H new ATOM 0 HD12 ILE A 15 9.674 -0.788 3.377 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.196 -0.855 4.296 1.00 0.71 H new ATOM 255 N GLY A 16 14.561 -0.270 -0.383 1.00 1.09 N ATOM 256 CA GLY A 16 15.491 -1.072 -1.137 1.00 1.26 C ATOM 257 C GLY A 16 16.814 -0.377 -1.340 1.00 1.42 C ATOM 258 O GLY A 16 17.116 0.607 -0.664 1.00 1.52 O ATOM 0 H GLY A 16 14.982 0.484 0.161 1.00 1.09 H new ATOM 0 HA2 GLY A 16 15.655 -2.017 -0.619 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.057 -1.312 -2.108 1.00 1.26 H new ATOM 262 N ASP A 17 17.592 -0.883 -2.282 1.00 1.55 N ATOM 263 CA ASP A 17 18.907 -0.332 -2.584 1.00 1.74 C ATOM 264 C ASP A 17 18.811 1.089 -3.136 1.00 1.66 C ATOM 265 O ASP A 17 19.541 1.983 -2.707 1.00 1.78 O ATOM 266 CB ASP A 17 19.620 -1.234 -3.595 1.00 1.95 C ATOM 267 CG ASP A 17 20.981 -0.707 -4.000 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.907 -0.737 -3.162 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.126 -0.242 -5.151 1.00 2.14 O ATOM 0 H ASP A 17 17.333 -1.684 -2.858 1.00 1.55 H new ATOM 0 HA ASP A 17 19.476 -0.290 -1.655 1.00 1.74 H new ATOM 0 HB2 ASP A 17 19.734 -2.230 -3.168 1.00 1.95 H new ATOM 0 HB3 ASP A 17 18.997 -1.338 -4.484 1.00 1.95 H new ATOM 274 N ASP A 18 17.900 1.298 -4.068 1.00 1.53 N ATOM 275 CA ASP A 18 17.729 2.604 -4.692 1.00 1.48 C ATOM 276 C ASP A 18 16.357 2.682 -5.352 1.00 1.37 C ATOM 277 O ASP A 18 15.635 1.695 -5.370 1.00 1.29 O ATOM 278 CB ASP A 18 18.845 2.812 -5.732 1.00 1.53 C ATOM 279 CG ASP A 18 18.790 4.161 -6.421 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.305 5.145 -5.850 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.231 4.245 -7.532 1.00 1.41 O ATOM 0 H ASP A 18 17.263 0.580 -4.413 1.00 1.53 H new ATOM 0 HA ASP A 18 17.793 3.390 -3.939 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.812 2.703 -5.241 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.780 2.026 -6.485 1.00 1.53 H new ATOM 286 N GLU A 19 15.992 3.849 -5.865 1.00 1.41 N ATOM 287 CA GLU A 19 14.720 4.020 -6.554 1.00 1.38 C ATOM 288 C GLU A 19 14.697 3.128 -7.796 1.00 1.34 C ATOM 289 O GLU A 19 13.659 2.585 -8.175 1.00 1.34 O ATOM 290 CB GLU A 19 14.532 5.495 -6.933 1.00 1.49 C ATOM 291 CG GLU A 19 13.423 5.753 -7.941 1.00 1.76 C ATOM 292 CD GLU A 19 12.035 5.617 -7.354 1.00 2.08 C ATOM 293 OE1 GLU A 19 11.479 4.501 -7.390 1.00 2.72 O ATOM 294 OE2 GLU A 19 11.480 6.628 -6.875 1.00 2.43 O ATOM 0 H GLU A 19 16.561 4.694 -5.817 1.00 1.41 H new ATOM 0 HA GLU A 19 13.898 3.729 -5.899 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.322 6.065 -6.028 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.470 5.875 -7.339 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.540 6.757 -8.350 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.528 5.056 -8.772 1.00 1.76 H new ATOM 301 N ASN A 20 15.867 2.957 -8.404 1.00 1.37 N ATOM 302 CA ASN A 20 16.006 2.125 -9.595 1.00 1.39 C ATOM 303 C ASN A 20 16.188 0.657 -9.209 1.00 1.40 C ATOM 304 O ASN A 20 16.094 -0.237 -10.048 1.00 1.52 O ATOM 305 CB ASN A 20 17.203 2.588 -10.432 1.00 1.48 C ATOM 306 CG ASN A 20 17.239 1.939 -11.801 1.00 2.08 C ATOM 307 OD1 ASN A 20 16.203 1.761 -12.444 1.00 2.92 O ATOM 308 ND2 ASN A 20 18.426 1.583 -12.256 1.00 2.15 N ATOM 0 H ASN A 20 16.737 3.386 -8.089 1.00 1.37 H new ATOM 0 HA ASN A 20 15.095 2.225 -10.186 1.00 1.39 H new ATOM 0 HB2 ASN A 20 17.164 3.671 -10.548 1.00 1.48 H new ATOM 0 HB3 ASN A 20 18.126 2.357 -9.900 1.00 1.48 H new ATOM 0 HD21 ASN A 20 18.510 1.143 -13.172 1.00 2.15 H new ATOM 0 HD22 ASN A 20 19.259 1.748 -11.691 1.00 2.15 H new ATOM 315 N ASN A 21 16.432 0.422 -7.929 1.00 1.36 N ATOM 316 CA ASN A 21 16.641 -0.929 -7.409 1.00 1.38 C ATOM 317 C ASN A 21 15.807 -1.137 -6.153 1.00 1.25 C ATOM 318 O ASN A 21 16.316 -1.592 -5.126 1.00 1.23 O ATOM 319 CB ASN A 21 18.120 -1.154 -7.068 1.00 1.54 C ATOM 320 CG ASN A 21 19.009 -1.275 -8.291 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.605 -1.822 -9.319 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.228 -0.766 -8.188 1.00 2.45 N ATOM 0 H ASN A 21 16.491 1.154 -7.222 1.00 1.36 H new ATOM 0 HA ASN A 21 16.338 -1.640 -8.177 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.473 -0.327 -6.452 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.213 -2.060 -6.469 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.871 -0.819 -8.978 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.523 -0.321 -7.319 1.00 2.45 H new ATOM 329 N ALA A 22 14.534 -0.785 -6.232 1.00 1.19 N ATOM 330 CA ALA A 22 13.636 -0.907 -5.093 1.00 1.09 C ATOM 331 C ALA A 22 13.181 -2.340 -4.881 1.00 1.06 C ATOM 332 O ALA A 22 12.754 -3.019 -5.818 1.00 1.14 O ATOM 333 CB ALA A 22 12.428 0.004 -5.268 1.00 1.04 C ATOM 0 H ALA A 22 14.098 -0.411 -7.075 1.00 1.19 H new ATOM 0 HA ALA A 22 14.192 -0.601 -4.207 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.767 -0.099 -4.408 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.761 1.039 -5.347 1.00 1.04 H new ATOM 0 HB3 ALA A 22 11.890 -0.275 -6.174 1.00 1.04 H new ATOM 339 N LEU A 23 13.289 -2.799 -3.645 1.00 0.99 N ATOM 340 CA LEU A 23 12.862 -4.138 -3.291 1.00 0.99 C ATOM 341 C LEU A 23 11.360 -4.121 -3.074 1.00 0.87 C ATOM 342 O LEU A 23 10.608 -4.829 -3.741 1.00 0.95 O ATOM 343 CB LEU A 23 13.570 -4.614 -2.022 1.00 1.05 C ATOM 344 CG LEU A 23 15.067 -4.888 -2.171 1.00 1.25 C ATOM 345 CD1 LEU A 23 15.719 -5.024 -0.806 1.00 1.39 C ATOM 346 CD2 LEU A 23 15.301 -6.146 -2.994 1.00 1.37 C ATOM 0 H LEU A 23 13.671 -2.259 -2.868 1.00 0.99 H new ATOM 0 HA LEU A 23 13.118 -4.827 -4.096 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.431 -3.863 -1.245 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.084 -5.526 -1.675 1.00 1.05 H new ATOM 0 HG LEU A 23 15.520 -4.044 -2.692 1.00 1.25 H new ATOM 0 HD11 LEU A 23 16.784 -5.219 -0.929 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.582 -4.100 -0.244 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.259 -5.851 -0.264 1.00 1.39 H new ATOM 0 HD21 LEU A 23 16.372 -6.325 -3.089 1.00 1.37 H new ATOM 0 HD22 LEU A 23 14.834 -6.997 -2.499 1.00 1.37 H new ATOM 0 HD23 LEU A 23 14.865 -6.019 -3.985 1.00 1.37 H new ATOM 358 N ALA A 24 10.936 -3.276 -2.152 1.00 0.77 N ATOM 359 CA ALA A 24 9.532 -3.120 -1.834 1.00 0.66 C ATOM 360 C ALA A 24 9.069 -1.739 -2.252 1.00 0.60 C ATOM 361 O ALA A 24 9.795 -0.764 -2.075 1.00 0.67 O ATOM 362 CB ALA A 24 9.293 -3.328 -0.350 1.00 0.71 C ATOM 0 H ALA A 24 11.556 -2.680 -1.604 1.00 0.77 H new ATOM 0 HA ALA A 24 8.961 -3.872 -2.378 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.232 -3.206 -0.132 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.609 -4.332 -0.068 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.866 -2.595 0.217 1.00 0.71 H new ATOM 368 N GLU A 25 7.879 -1.656 -2.811 1.00 0.54 N ATOM 369 CA GLU A 25 7.344 -0.383 -3.256 1.00 0.52 C ATOM 370 C GLU A 25 5.828 -0.349 -3.118 1.00 0.43 C ATOM 371 O GLU A 25 5.146 -1.360 -3.319 1.00 0.45 O ATOM 372 CB GLU A 25 7.748 -0.124 -4.711 1.00 0.65 C ATOM 373 CG GLU A 25 7.076 -1.055 -5.709 1.00 0.84 C ATOM 374 CD GLU A 25 7.820 -1.143 -7.022 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.854 -1.840 -7.079 1.00 1.33 O ATOM 376 OE2 GLU A 25 7.376 -0.517 -8.007 1.00 1.02 O ATOM 0 H GLU A 25 7.263 -2.454 -2.968 1.00 0.54 H new ATOM 0 HA GLU A 25 7.760 0.402 -2.624 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.504 0.907 -4.968 1.00 0.65 H new ATOM 0 HB3 GLU A 25 8.829 -0.228 -4.802 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.998 -2.051 -5.274 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.060 -0.708 -5.895 1.00 0.84 H new ATOM 383 N ILE A 26 5.314 0.813 -2.753 1.00 0.40 N ATOM 384 CA ILE A 26 3.883 1.011 -2.610 1.00 0.33 C ATOM 385 C ILE A 26 3.497 2.358 -3.206 1.00 0.33 C ATOM 386 O ILE A 26 4.132 3.379 -2.929 1.00 0.38 O ATOM 387 CB ILE A 26 3.422 0.924 -1.130 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.896 0.992 -1.036 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.057 2.024 -0.290 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.357 0.601 0.323 1.00 0.34 C ATOM 0 H ILE A 26 5.874 1.641 -2.549 1.00 0.40 H new ATOM 0 HA ILE A 26 3.378 0.208 -3.147 1.00 0.33 H new ATOM 0 HB ILE A 26 3.752 -0.036 -0.733 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.570 2.006 -1.269 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.464 0.336 -1.792 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.715 1.937 0.741 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.142 1.926 -0.322 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.769 2.997 -0.687 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.269 0.672 0.317 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.652 -0.423 0.551 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.761 1.272 1.081 1.00 0.34 H new ATOM 402 N THR A 27 2.490 2.363 -4.059 1.00 0.33 N ATOM 403 CA THR A 27 2.050 3.590 -4.687 1.00 0.35 C ATOM 404 C THR A 27 0.608 3.894 -4.328 1.00 0.37 C ATOM 405 O THR A 27 -0.248 3.006 -4.341 1.00 0.41 O ATOM 406 CB THR A 27 2.181 3.524 -6.220 1.00 0.40 C ATOM 407 OG1 THR A 27 1.353 2.476 -6.737 1.00 0.60 O ATOM 408 CG2 THR A 27 3.628 3.285 -6.639 1.00 0.51 C ATOM 0 H THR A 27 1.964 1.533 -4.331 1.00 0.33 H new ATOM 0 HA THR A 27 2.696 4.384 -4.313 1.00 0.35 H new ATOM 0 HB THR A 27 1.858 4.482 -6.628 1.00 0.40 H new ATOM 0 HG1 THR A 27 0.492 2.849 -7.020 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.690 3.243 -7.726 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.252 4.099 -6.271 1.00 0.51 H new ATOM 0 HG23 THR A 27 3.977 2.342 -6.219 1.00 0.51 H new ATOM 416 N TYR A 28 0.344 5.143 -3.998 1.00 0.39 N ATOM 417 CA TYR A 28 -0.996 5.566 -3.652 1.00 0.45 C ATOM 418 C TYR A 28 -1.337 6.835 -4.417 1.00 0.48 C ATOM 419 O TYR A 28 -0.759 7.896 -4.187 1.00 0.68 O ATOM 420 CB TYR A 28 -1.156 5.757 -2.131 1.00 0.48 C ATOM 421 CG TYR A 28 -0.262 6.815 -1.517 1.00 0.49 C ATOM 422 CD1 TYR A 28 1.092 6.572 -1.316 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.769 8.053 -1.139 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.915 7.532 -0.760 1.00 0.60 C ATOM 425 CE2 TYR A 28 0.050 9.019 -0.583 1.00 0.66 C ATOM 426 CZ TYR A 28 1.370 8.765 -0.387 1.00 0.65 C ATOM 427 OH TYR A 28 2.208 9.713 0.157 1.00 0.76 O ATOM 0 H TYR A 28 1.044 5.884 -3.963 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.698 4.783 -3.939 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.194 6.014 -1.920 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.957 4.805 -1.638 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.508 5.616 -1.599 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.819 8.264 -1.282 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.967 7.333 -0.615 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.361 9.978 -0.304 1.00 0.66 H new ATOM 0 HH TYR A 28 2.866 9.274 0.736 1.00 0.76 H new ATOM 437 N ARG A 29 -2.244 6.709 -5.364 1.00 0.42 N ATOM 438 CA ARG A 29 -2.652 7.843 -6.173 1.00 0.48 C ATOM 439 C ARG A 29 -4.010 8.348 -5.730 1.00 0.48 C ATOM 440 O ARG A 29 -4.874 7.570 -5.321 1.00 0.49 O ATOM 441 CB ARG A 29 -2.680 7.482 -7.658 1.00 0.56 C ATOM 442 CG ARG A 29 -1.328 7.614 -8.347 1.00 0.93 C ATOM 443 CD ARG A 29 -0.364 6.505 -7.950 1.00 1.22 C ATOM 444 NE ARG A 29 0.912 6.617 -8.654 1.00 1.83 N ATOM 445 CZ ARG A 29 1.474 5.623 -9.345 1.00 2.81 C ATOM 446 NH1 ARG A 29 0.918 4.421 -9.373 1.00 3.23 N ATOM 447 NH2 ARG A 29 2.607 5.834 -9.995 1.00 3.63 N ATOM 0 H ARG A 29 -2.714 5.833 -5.594 1.00 0.42 H new ATOM 0 HA ARG A 29 -1.918 8.636 -6.032 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -3.035 6.457 -7.767 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -3.400 8.124 -8.165 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -1.471 7.598 -9.427 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -0.889 8.580 -8.098 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -0.190 6.542 -6.875 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -0.815 5.537 -8.167 1.00 1.22 H new ATOM 0 HE ARG A 29 1.403 7.510 -8.615 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.052 4.248 -8.863 1.00 3.23 H new ATOM 0 HH12 ARG A 29 1.356 3.669 -9.904 1.00 3.23 H new ATOM 0 HH21 ARG A 29 3.048 6.754 -9.967 1.00 3.63 H new ATOM 0 HH22 ARG A 29 3.040 5.077 -10.524 1.00 3.63 H new ATOM 461 N PHE A 30 -4.189 9.648 -5.819 1.00 0.56 N ATOM 462 CA PHE A 30 -5.432 10.281 -5.419 1.00 0.60 C ATOM 463 C PHE A 30 -6.490 10.135 -6.503 1.00 0.68 C ATOM 464 O PHE A 30 -6.300 10.584 -7.636 1.00 0.83 O ATOM 465 CB PHE A 30 -5.205 11.767 -5.123 1.00 0.66 C ATOM 466 CG PHE A 30 -4.505 12.032 -3.818 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.136 11.863 -3.706 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.217 12.454 -2.706 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.488 12.110 -2.512 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.574 12.704 -1.509 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.208 12.531 -1.412 1.00 0.82 C ATOM 0 H PHE A 30 -3.482 10.295 -6.169 1.00 0.56 H new ATOM 0 HA PHE A 30 -5.784 9.783 -4.515 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -4.619 12.203 -5.932 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.168 12.277 -5.117 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.567 11.534 -4.563 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.286 12.589 -2.776 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.419 11.974 -2.439 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.139 13.034 -0.650 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.703 12.725 -0.477 1.00 0.82 H new ATOM 481 N VAL A 31 -7.586 9.474 -6.162 1.00 0.62 N ATOM 482 CA VAL A 31 -8.694 9.305 -7.095 1.00 0.70 C ATOM 483 C VAL A 31 -9.700 10.423 -6.867 1.00 0.73 C ATOM 484 O VAL A 31 -10.585 10.677 -7.684 1.00 0.83 O ATOM 485 CB VAL A 31 -9.392 7.932 -6.943 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.521 6.824 -7.517 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.733 7.650 -5.487 1.00 0.67 C ATOM 0 H VAL A 31 -7.734 9.046 -5.248 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.292 9.346 -8.107 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.325 7.963 -7.505 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.028 5.866 -7.401 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.341 7.014 -8.575 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.569 6.797 -6.986 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.222 6.679 -5.409 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -8.819 7.644 -4.894 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.403 8.425 -5.113 1.00 0.67 H new ATOM 497 N ASP A 32 -9.531 11.087 -5.734 1.00 0.72 N ATOM 498 CA ASP A 32 -10.368 12.203 -5.339 1.00 0.84 C ATOM 499 C ASP A 32 -9.550 13.112 -4.426 1.00 0.97 C ATOM 500 O ASP A 32 -8.319 13.057 -4.448 1.00 1.74 O ATOM 501 CB ASP A 32 -11.639 11.708 -4.639 1.00 0.84 C ATOM 502 CG ASP A 32 -12.698 12.786 -4.530 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.363 13.072 -5.548 1.00 1.16 O ATOM 504 OD2 ASP A 32 -12.886 13.338 -3.426 1.00 1.16 O ATOM 0 H ASP A 32 -8.801 10.862 -5.058 1.00 0.72 H new ATOM 0 HA ASP A 32 -10.688 12.762 -6.219 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.045 10.858 -5.188 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -11.385 11.351 -3.641 1.00 0.84 H new ATOM 509 N ASN A 33 -10.206 13.929 -3.623 1.00 0.89 N ATOM 510 CA ASN A 33 -9.502 14.842 -2.731 1.00 0.95 C ATOM 511 C ASN A 33 -9.180 14.161 -1.410 1.00 0.84 C ATOM 512 O ASN A 33 -8.095 14.334 -0.856 1.00 1.07 O ATOM 513 CB ASN A 33 -10.341 16.101 -2.490 1.00 1.09 C ATOM 514 CG ASN A 33 -10.617 16.860 -3.773 1.00 1.82 C ATOM 515 OD1 ASN A 33 -9.821 16.827 -4.711 1.00 2.09 O ATOM 516 ND2 ASN A 33 -11.746 17.552 -3.824 1.00 2.72 N ATOM 0 H ASN A 33 -11.223 13.982 -3.567 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.564 15.131 -3.205 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -11.286 15.822 -2.025 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -9.821 16.753 -1.789 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -11.981 18.083 -4.663 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -12.380 17.554 -3.025 1.00 2.72 H new ATOM 523 N ASN A 34 -10.124 13.375 -0.911 1.00 0.73 N ATOM 524 CA ASN A 34 -9.936 12.667 0.349 1.00 0.86 C ATOM 525 C ASN A 34 -9.994 11.159 0.136 1.00 0.88 C ATOM 526 O ASN A 34 -10.306 10.401 1.054 1.00 1.22 O ATOM 527 CB ASN A 34 -10.984 13.096 1.388 1.00 1.01 C ATOM 528 CG ASN A 34 -12.405 12.727 0.996 1.00 1.35 C ATOM 529 OD1 ASN A 34 -12.788 12.822 -0.171 1.00 1.84 O ATOM 530 ND2 ASN A 34 -13.203 12.316 1.971 1.00 1.83 N ATOM 0 H ASN A 34 -11.026 13.211 -1.358 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.949 12.928 0.731 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -10.747 12.633 2.346 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -10.923 14.175 1.532 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -14.170 12.066 1.767 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -12.850 12.250 2.926 1.00 1.83 H new ATOM 537 N GLU A 35 -9.685 10.724 -1.079 1.00 0.64 N ATOM 538 CA GLU A 35 -9.704 9.305 -1.407 1.00 0.62 C ATOM 539 C GLU A 35 -8.444 8.921 -2.179 1.00 0.57 C ATOM 540 O GLU A 35 -8.114 9.545 -3.191 1.00 0.59 O ATOM 541 CB GLU A 35 -10.953 8.957 -2.225 1.00 0.68 C ATOM 542 CG GLU A 35 -12.252 9.428 -1.586 1.00 1.01 C ATOM 543 CD GLU A 35 -13.480 8.848 -2.251 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.838 7.690 -1.952 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.092 9.549 -3.085 1.00 2.25 O ATOM 0 H GLU A 35 -9.419 11.333 -1.853 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.731 8.738 -0.476 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.863 9.402 -3.216 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.997 7.877 -2.363 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.252 9.153 -0.531 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -12.300 10.516 -1.632 1.00 1.01 H new ATOM 552 N ILE A 36 -7.749 7.894 -1.701 1.00 0.52 N ATOM 553 CA ILE A 36 -6.523 7.426 -2.338 1.00 0.48 C ATOM 554 C ILE A 36 -6.622 5.948 -2.691 1.00 0.46 C ATOM 555 O ILE A 36 -7.323 5.185 -2.026 1.00 0.53 O ATOM 556 CB ILE A 36 -5.282 7.642 -1.444 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.529 7.100 -0.033 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.917 9.115 -1.394 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.294 7.095 0.844 1.00 0.51 C ATOM 0 H ILE A 36 -8.016 7.367 -0.869 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.405 8.017 -3.246 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.446 7.092 -1.877 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.302 7.701 0.447 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.915 6.083 -0.107 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.041 9.251 -0.760 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.695 9.469 -2.401 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.752 9.683 -0.985 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.547 6.698 1.827 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.526 6.471 0.387 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.919 8.113 0.950 1.00 0.51 H new ATOM 571 N ASN A 37 -5.920 5.549 -3.737 1.00 0.44 N ATOM 572 CA ASN A 37 -5.927 4.164 -4.171 1.00 0.46 C ATOM 573 C ASN A 37 -4.507 3.621 -4.254 1.00 0.42 C ATOM 574 O ASN A 37 -3.597 4.296 -4.737 1.00 0.50 O ATOM 575 CB ASN A 37 -6.648 4.026 -5.525 1.00 0.54 C ATOM 576 CG ASN A 37 -5.708 3.855 -6.710 1.00 0.86 C ATOM 577 OD1 ASN A 37 -5.379 2.731 -7.101 1.00 1.82 O ATOM 578 ND2 ASN A 37 -5.284 4.964 -7.300 1.00 0.98 N ATOM 0 H ASN A 37 -5.337 6.166 -4.302 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.472 3.574 -3.434 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.321 3.170 -5.481 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -7.266 4.909 -5.688 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -4.663 4.907 -8.107 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.579 5.874 -6.947 1.00 0.98 H new ATOM 585 N ILE A 38 -4.323 2.415 -3.747 1.00 0.36 N ATOM 586 CA ILE A 38 -3.026 1.760 -3.775 1.00 0.33 C ATOM 587 C ILE A 38 -2.999 0.772 -4.929 1.00 0.41 C ATOM 588 O ILE A 38 -3.541 -0.328 -4.828 1.00 0.53 O ATOM 589 CB ILE A 38 -2.724 1.027 -2.453 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.812 2.001 -1.275 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.348 0.377 -2.504 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.800 1.321 0.076 1.00 0.69 C ATOM 0 H ILE A 38 -5.061 1.865 -3.308 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.259 2.523 -3.908 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.468 0.243 -2.314 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.976 2.699 -1.328 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.725 2.589 -1.368 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.153 -0.136 -1.562 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.316 -0.342 -3.322 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.589 1.143 -2.664 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.865 2.073 0.862 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.651 0.644 0.150 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.875 0.755 0.190 1.00 0.69 H new ATOM 604 N ASP A 39 -2.381 1.175 -6.024 1.00 0.52 N ATOM 605 CA ASP A 39 -2.328 0.342 -7.217 1.00 0.73 C ATOM 606 C ASP A 39 -1.106 -0.566 -7.244 1.00 0.50 C ATOM 607 O ASP A 39 -1.118 -1.599 -7.910 1.00 0.64 O ATOM 608 CB ASP A 39 -2.364 1.211 -8.479 1.00 1.08 C ATOM 609 CG ASP A 39 -1.135 2.084 -8.632 1.00 1.73 C ATOM 610 OD1 ASP A 39 -1.101 3.184 -8.040 1.00 2.47 O ATOM 611 OD2 ASP A 39 -0.200 1.682 -9.350 1.00 2.16 O ATOM 0 H ASP A 39 -1.908 2.074 -6.115 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.208 -0.301 -7.191 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -2.457 0.568 -9.354 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -3.251 1.844 -8.453 1.00 1.08 H new ATOM 616 N HIS A 40 -0.054 -0.200 -6.530 1.00 0.37 N ATOM 617 CA HIS A 40 1.152 -1.017 -6.519 1.00 0.44 C ATOM 618 C HIS A 40 1.601 -1.357 -5.109 1.00 0.39 C ATOM 619 O HIS A 40 1.617 -0.505 -4.221 1.00 0.42 O ATOM 620 CB HIS A 40 2.297 -0.318 -7.260 1.00 0.72 C ATOM 621 CG HIS A 40 2.404 -0.699 -8.702 1.00 0.72 C ATOM 622 ND1 HIS A 40 1.632 -0.130 -9.688 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.204 -1.596 -9.326 1.00 0.92 C ATOM 624 CE1 HIS A 40 1.946 -0.661 -10.853 1.00 2.12 C ATOM 625 NE2 HIS A 40 2.897 -1.553 -10.661 1.00 1.64 N ATOM 0 H HIS A 40 -0.008 0.643 -5.958 1.00 0.37 H new ATOM 0 HA HIS A 40 0.900 -1.946 -7.031 1.00 0.44 H new ATOM 0 HB2 HIS A 40 2.159 0.761 -7.188 1.00 0.72 H new ATOM 0 HB3 HIS A 40 3.237 -0.553 -6.761 1.00 0.72 H new ATOM 0 HD1 HIS A 40 0.926 0.591 -9.541 1.00 1.59 H new ATOM 0 HD2 HIS A 40 3.945 -2.227 -8.859 1.00 0.92 H new ATOM 0 HE1 HIS A 40 1.500 -0.408 -11.803 1.00 2.12 H new ATOM 634 N THR A 41 1.928 -2.624 -4.914 1.00 0.41 N ATOM 635 CA THR A 41 2.420 -3.129 -3.640 1.00 0.45 C ATOM 636 C THR A 41 3.268 -4.368 -3.895 1.00 0.54 C ATOM 637 O THR A 41 2.771 -5.496 -3.860 1.00 0.73 O ATOM 638 CB THR A 41 1.285 -3.494 -2.665 1.00 0.48 C ATOM 639 OG1 THR A 41 0.095 -2.771 -3.001 1.00 0.48 O ATOM 640 CG2 THR A 41 1.686 -3.169 -1.233 1.00 0.55 C ATOM 0 H THR A 41 1.859 -3.337 -5.640 1.00 0.41 H new ATOM 0 HA THR A 41 3.005 -2.334 -3.178 1.00 0.45 H new ATOM 0 HB THR A 41 1.095 -4.564 -2.747 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.090 -1.912 -2.529 1.00 0.48 H new ATOM 0 HG21 THR A 41 0.872 -3.434 -0.558 1.00 0.55 H new ATOM 0 HG22 THR A 41 2.577 -3.737 -0.967 1.00 0.55 H new ATOM 0 HG23 THR A 41 1.897 -2.103 -1.147 1.00 0.55 H new ATOM 648 N GLY A 42 4.539 -4.155 -4.185 1.00 0.55 N ATOM 649 CA GLY A 42 5.423 -5.262 -4.465 1.00 0.66 C ATOM 650 C GLY A 42 6.580 -5.332 -3.500 1.00 0.64 C ATOM 651 O GLY A 42 7.165 -4.311 -3.151 1.00 0.70 O ATOM 0 H GLY A 42 4.975 -3.234 -4.232 1.00 0.55 H new ATOM 0 HA2 GLY A 42 4.859 -6.194 -4.420 1.00 0.66 H new ATOM 0 HA3 GLY A 42 5.806 -5.170 -5.481 1.00 0.66 H new ATOM 655 N VAL A 43 6.898 -6.539 -3.063 1.00 0.67 N ATOM 656 CA VAL A 43 7.997 -6.763 -2.140 1.00 0.71 C ATOM 657 C VAL A 43 8.921 -7.831 -2.705 1.00 0.74 C ATOM 658 O VAL A 43 8.652 -9.026 -2.589 1.00 0.82 O ATOM 659 CB VAL A 43 7.510 -7.199 -0.739 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.692 -7.443 0.190 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.570 -6.159 -0.142 1.00 0.80 C ATOM 0 H VAL A 43 6.404 -7.388 -3.337 1.00 0.67 H new ATOM 0 HA VAL A 43 8.526 -5.817 -2.025 1.00 0.71 H new ATOM 0 HB VAL A 43 6.959 -8.133 -0.850 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.327 -7.749 1.171 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.324 -8.229 -0.224 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.272 -6.526 0.289 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.241 -6.489 0.844 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.092 -5.207 -0.050 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.703 -6.037 -0.791 1.00 0.80 H new ATOM 671 N SER A 44 9.985 -7.391 -3.342 1.00 0.82 N ATOM 672 CA SER A 44 10.955 -8.295 -3.929 1.00 0.90 C ATOM 673 C SER A 44 12.068 -8.577 -2.930 1.00 1.01 C ATOM 674 O SER A 44 12.462 -7.693 -2.175 1.00 1.32 O ATOM 675 CB SER A 44 11.518 -7.676 -5.208 1.00 1.27 C ATOM 676 OG SER A 44 10.520 -6.918 -5.879 1.00 1.83 O ATOM 0 H SER A 44 10.203 -6.403 -3.468 1.00 0.82 H new ATOM 0 HA SER A 44 10.472 -9.240 -4.180 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.367 -7.036 -4.966 1.00 1.27 H new ATOM 0 HB3 SER A 44 11.889 -8.462 -5.866 1.00 1.27 H new ATOM 0 HG SER A 44 10.417 -6.049 -5.437 1.00 1.83 H new ATOM 682 N ASP A 45 12.551 -9.809 -2.914 1.00 1.10 N ATOM 683 CA ASP A 45 13.617 -10.200 -2.004 1.00 1.45 C ATOM 684 C ASP A 45 14.229 -11.515 -2.445 1.00 1.27 C ATOM 685 O ASP A 45 13.519 -12.479 -2.739 1.00 1.73 O ATOM 686 CB ASP A 45 13.111 -10.329 -0.565 1.00 2.05 C ATOM 687 CG ASP A 45 14.204 -10.795 0.376 1.00 2.57 C ATOM 688 OD1 ASP A 45 15.339 -10.290 0.271 1.00 3.12 O ATOM 689 OD2 ASP A 45 13.938 -11.686 1.207 1.00 2.90 O ATOM 0 H ASP A 45 12.221 -10.558 -3.523 1.00 1.10 H new ATOM 0 HA ASP A 45 14.374 -9.416 -2.031 1.00 1.45 H new ATOM 0 HB2 ASP A 45 12.726 -9.367 -0.227 1.00 2.05 H new ATOM 0 HB3 ASP A 45 12.280 -11.033 -0.534 1.00 2.05 H new ATOM 694 N GLU A 46 15.547 -11.543 -2.486 1.00 1.36 N ATOM 695 CA GLU A 46 16.280 -12.731 -2.888 1.00 1.66 C ATOM 696 C GLU A 46 16.593 -13.612 -1.681 1.00 1.96 C ATOM 697 O GLU A 46 17.036 -14.752 -1.834 1.00 2.52 O ATOM 698 CB GLU A 46 17.579 -12.333 -3.593 1.00 2.19 C ATOM 699 CG GLU A 46 17.373 -11.358 -4.740 1.00 2.65 C ATOM 700 CD GLU A 46 18.654 -11.051 -5.485 1.00 3.34 C ATOM 701 OE1 GLU A 46 19.433 -11.989 -5.751 1.00 3.80 O ATOM 702 OE2 GLU A 46 18.884 -9.873 -5.816 1.00 3.79 O ATOM 0 H GLU A 46 16.139 -10.748 -2.243 1.00 1.36 H new ATOM 0 HA GLU A 46 15.656 -13.300 -3.577 1.00 1.66 H new ATOM 0 HB2 GLU A 46 18.256 -11.887 -2.865 1.00 2.19 H new ATOM 0 HB3 GLU A 46 18.066 -13.231 -3.973 1.00 2.19 H new ATOM 0 HG2 GLU A 46 16.643 -11.772 -5.436 1.00 2.65 H new ATOM 0 HG3 GLU A 46 16.953 -10.430 -4.351 1.00 2.65 H new ATOM 709 N LEU A 47 16.373 -13.080 -0.485 1.00 2.08 N ATOM 710 CA LEU A 47 16.637 -13.827 0.737 1.00 2.74 C ATOM 711 C LEU A 47 15.540 -14.854 0.989 1.00 2.84 C ATOM 712 O LEU A 47 15.807 -16.055 1.039 1.00 3.61 O ATOM 713 CB LEU A 47 16.764 -12.880 1.936 1.00 3.16 C ATOM 714 CG LEU A 47 17.869 -11.825 1.822 1.00 3.70 C ATOM 715 CD1 LEU A 47 17.818 -10.871 3.007 1.00 4.35 C ATOM 716 CD2 LEU A 47 19.236 -12.488 1.730 1.00 4.47 C ATOM 0 H LEU A 47 16.014 -12.137 -0.336 1.00 2.08 H new ATOM 0 HA LEU A 47 17.583 -14.355 0.612 1.00 2.74 H new ATOM 0 HB2 LEU A 47 15.811 -12.370 2.078 1.00 3.16 H new ATOM 0 HB3 LEU A 47 16.944 -13.476 2.831 1.00 3.16 H new ATOM 0 HG LEU A 47 17.704 -11.252 0.909 1.00 3.70 H new ATOM 0 HD11 LEU A 47 18.610 -10.128 2.910 1.00 4.35 H new ATOM 0 HD12 LEU A 47 16.850 -10.370 3.029 1.00 4.35 H new ATOM 0 HD13 LEU A 47 17.957 -11.431 3.931 1.00 4.35 H new ATOM 0 HD21 LEU A 47 20.007 -11.722 1.650 1.00 4.47 H new ATOM 0 HD22 LEU A 47 19.411 -13.087 2.624 1.00 4.47 H new ATOM 0 HD23 LEU A 47 19.270 -13.131 0.850 1.00 4.47 H new ATOM 728 N GLY A 48 14.305 -14.385 1.125 1.00 2.46 N ATOM 729 CA GLY A 48 13.200 -15.299 1.369 1.00 3.19 C ATOM 730 C GLY A 48 11.882 -14.599 1.648 1.00 3.20 C ATOM 731 O GLY A 48 10.844 -15.252 1.772 1.00 3.86 O ATOM 0 H GLY A 48 14.048 -13.399 1.072 1.00 2.46 H new ATOM 0 HA2 GLY A 48 13.080 -15.950 0.503 1.00 3.19 H new ATOM 0 HA3 GLY A 48 13.449 -15.938 2.216 1.00 3.19 H new ATOM 735 N GLY A 49 11.910 -13.279 1.738 1.00 2.85 N ATOM 736 CA GLY A 49 10.702 -12.534 2.009 1.00 3.05 C ATOM 737 C GLY A 49 10.847 -11.653 3.226 1.00 2.17 C ATOM 738 O GLY A 49 11.017 -12.146 4.343 1.00 2.73 O ATOM 0 H GLY A 49 12.750 -12.710 1.628 1.00 2.85 H new ATOM 0 HA2 GLY A 49 10.452 -11.920 1.144 1.00 3.05 H new ATOM 0 HA3 GLY A 49 9.874 -13.227 2.158 1.00 3.05 H new ATOM 742 N GLN A 50 10.783 -10.351 3.020 1.00 1.42 N ATOM 743 CA GLN A 50 10.919 -9.403 4.112 1.00 1.52 C ATOM 744 C GLN A 50 9.595 -8.706 4.379 1.00 1.37 C ATOM 745 O GLN A 50 8.862 -8.370 3.448 1.00 2.20 O ATOM 746 CB GLN A 50 12.000 -8.368 3.788 1.00 2.43 C ATOM 747 CG GLN A 50 13.328 -8.986 3.381 1.00 2.96 C ATOM 748 CD GLN A 50 13.840 -9.987 4.399 1.00 3.04 C ATOM 749 OE1 GLN A 50 13.694 -9.795 5.610 1.00 3.39 O ATOM 750 NE2 GLN A 50 14.422 -11.072 3.917 1.00 3.44 N ATOM 0 H GLN A 50 10.637 -9.924 2.105 1.00 1.42 H new ATOM 0 HA GLN A 50 11.213 -9.951 5.007 1.00 1.52 H new ATOM 0 HB2 GLN A 50 11.646 -7.724 2.983 1.00 2.43 H new ATOM 0 HB3 GLN A 50 12.156 -7.732 4.659 1.00 2.43 H new ATOM 0 HG2 GLN A 50 13.214 -9.480 2.416 1.00 2.96 H new ATOM 0 HG3 GLN A 50 14.067 -8.196 3.250 1.00 2.96 H new ATOM 0 HE21 GLN A 50 14.523 -11.192 2.909 1.00 3.44 H new ATOM 0 HE22 GLN A 50 14.770 -11.789 4.553 1.00 3.44 H new ATOM 759 N GLY A 51 9.298 -8.477 5.650 1.00 1.01 N ATOM 760 CA GLY A 51 8.058 -7.821 6.022 1.00 1.11 C ATOM 761 C GLY A 51 8.153 -6.312 5.938 1.00 0.88 C ATOM 762 O GLY A 51 7.643 -5.596 6.799 1.00 0.86 O ATOM 0 H GLY A 51 9.896 -8.735 6.435 1.00 1.01 H new ATOM 0 HA2 GLY A 51 7.257 -8.168 5.370 1.00 1.11 H new ATOM 0 HA3 GLY A 51 7.789 -8.109 7.038 1.00 1.11 H new ATOM 766 N VAL A 52 8.801 -5.824 4.893 1.00 0.80 N ATOM 767 CA VAL A 52 8.962 -4.391 4.697 1.00 0.68 C ATOM 768 C VAL A 52 7.671 -3.769 4.177 1.00 0.58 C ATOM 769 O VAL A 52 7.401 -2.590 4.405 1.00 0.56 O ATOM 770 CB VAL A 52 10.119 -4.071 3.725 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.452 -4.119 4.454 1.00 0.91 C ATOM 772 CG2 VAL A 52 10.129 -5.035 2.548 1.00 1.14 C ATOM 0 H VAL A 52 9.225 -6.400 4.166 1.00 0.80 H new ATOM 0 HA VAL A 52 9.204 -3.961 5.669 1.00 0.68 H new ATOM 0 HB VAL A 52 9.964 -3.064 3.338 1.00 0.70 H new ATOM 0 HG11 VAL A 52 12.257 -3.891 3.755 1.00 0.91 H new ATOM 0 HG12 VAL A 52 11.453 -3.385 5.260 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.603 -5.115 4.870 1.00 0.91 H new ATOM 0 HG21 VAL A 52 10.954 -4.786 1.881 1.00 1.14 H new ATOM 0 HG22 VAL A 52 10.253 -6.054 2.914 1.00 1.14 H new ATOM 0 HG23 VAL A 52 9.187 -4.957 2.005 1.00 1.14 H new ATOM 782 N GLY A 53 6.863 -4.580 3.500 1.00 0.59 N ATOM 783 CA GLY A 53 5.603 -4.099 2.964 1.00 0.58 C ATOM 784 C GLY A 53 4.647 -3.669 4.060 1.00 0.51 C ATOM 785 O GLY A 53 3.807 -2.792 3.853 1.00 0.50 O ATOM 0 H GLY A 53 7.059 -5.563 3.313 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.790 -3.258 2.296 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.140 -4.884 2.366 1.00 0.58 H new ATOM 789 N LYS A 54 4.798 -4.275 5.234 1.00 0.52 N ATOM 790 CA LYS A 54 3.958 -3.964 6.382 1.00 0.50 C ATOM 791 C LYS A 54 4.180 -2.527 6.839 1.00 0.48 C ATOM 792 O LYS A 54 3.241 -1.837 7.237 1.00 0.48 O ATOM 793 CB LYS A 54 4.256 -4.929 7.530 1.00 0.59 C ATOM 794 CG LYS A 54 3.501 -6.242 7.429 1.00 0.75 C ATOM 795 CD LYS A 54 3.921 -7.209 8.526 1.00 1.08 C ATOM 796 CE LYS A 54 2.809 -8.189 8.873 1.00 1.49 C ATOM 797 NZ LYS A 54 1.684 -7.521 9.580 1.00 2.02 N ATOM 0 H LYS A 54 5.502 -4.991 5.414 1.00 0.52 H new ATOM 0 HA LYS A 54 2.915 -4.075 6.084 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.326 -5.135 7.552 1.00 0.59 H new ATOM 0 HB3 LYS A 54 4.005 -4.446 8.474 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.430 -6.054 7.498 1.00 0.75 H new ATOM 0 HG3 LYS A 54 3.683 -6.694 6.454 1.00 0.75 H new ATOM 0 HD2 LYS A 54 4.805 -7.761 8.205 1.00 1.08 H new ATOM 0 HD3 LYS A 54 4.202 -6.648 9.417 1.00 1.08 H new ATOM 0 HE2 LYS A 54 2.439 -8.656 7.961 1.00 1.49 H new ATOM 0 HE3 LYS A 54 3.210 -8.986 9.499 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 1.569 -7.942 10.524 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 1.888 -6.506 9.676 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 0.807 -7.648 9.035 1.00 2.02 H new ATOM 811 N LYS A 55 5.428 -2.076 6.764 1.00 0.51 N ATOM 812 CA LYS A 55 5.776 -0.719 7.175 1.00 0.54 C ATOM 813 C LYS A 55 5.294 0.295 6.146 1.00 0.47 C ATOM 814 O LYS A 55 4.940 1.427 6.486 1.00 0.48 O ATOM 815 CB LYS A 55 7.289 -0.583 7.374 1.00 0.65 C ATOM 816 CG LYS A 55 7.752 -0.913 8.785 1.00 1.28 C ATOM 817 CD LYS A 55 7.774 -2.412 9.041 1.00 1.72 C ATOM 818 CE LYS A 55 9.096 -3.031 8.615 1.00 2.30 C ATOM 819 NZ LYS A 55 9.141 -4.490 8.898 1.00 2.57 N ATOM 0 H LYS A 55 6.215 -2.629 6.423 1.00 0.51 H new ATOM 0 HA LYS A 55 5.279 -0.518 8.124 1.00 0.54 H new ATOM 0 HB2 LYS A 55 7.800 -1.240 6.670 1.00 0.65 H new ATOM 0 HB3 LYS A 55 7.588 0.437 7.132 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.749 -0.503 8.944 1.00 1.28 H new ATOM 0 HG3 LYS A 55 7.091 -0.432 9.506 1.00 1.28 H new ATOM 0 HD2 LYS A 55 7.606 -2.604 10.101 1.00 1.72 H new ATOM 0 HD3 LYS A 55 6.957 -2.887 8.498 1.00 1.72 H new ATOM 0 HE2 LYS A 55 9.249 -2.863 7.549 1.00 2.30 H new ATOM 0 HE3 LYS A 55 9.914 -2.534 9.137 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 10.118 -4.832 8.803 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 8.805 -4.666 9.866 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 8.531 -4.994 8.223 1.00 2.57 H new ATOM 833 N LEU A 56 5.281 -0.127 4.890 1.00 0.46 N ATOM 834 CA LEU A 56 4.847 0.728 3.795 1.00 0.45 C ATOM 835 C LEU A 56 3.346 0.992 3.873 1.00 0.38 C ATOM 836 O LEU A 56 2.907 2.141 3.835 1.00 0.37 O ATOM 837 CB LEU A 56 5.202 0.089 2.450 1.00 0.54 C ATOM 838 CG LEU A 56 6.700 -0.025 2.154 1.00 0.65 C ATOM 839 CD1 LEU A 56 6.926 -0.691 0.805 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.356 1.348 2.192 1.00 0.85 C ATOM 0 H LEU A 56 5.568 -1.063 4.603 1.00 0.46 H new ATOM 0 HA LEU A 56 5.367 1.682 3.881 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.764 -0.909 2.414 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.735 0.671 1.656 1.00 0.54 H new ATOM 0 HG LEU A 56 7.159 -0.645 2.924 1.00 0.65 H new ATOM 0 HD11 LEU A 56 7.996 -0.764 0.610 1.00 0.86 H new ATOM 0 HD12 LEU A 56 6.490 -1.690 0.815 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.454 -0.097 0.022 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.420 1.249 1.980 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.895 1.992 1.443 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.223 1.788 3.180 1.00 0.85 H new ATOM 852 N LEU A 57 2.566 -0.075 4.002 1.00 0.37 N ATOM 853 CA LEU A 57 1.117 0.047 4.077 1.00 0.36 C ATOM 854 C LEU A 57 0.700 0.820 5.324 1.00 0.34 C ATOM 855 O LEU A 57 -0.219 1.637 5.280 1.00 0.37 O ATOM 856 CB LEU A 57 0.464 -1.337 4.067 1.00 0.43 C ATOM 857 CG LEU A 57 -1.059 -1.332 3.923 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.471 -0.711 2.602 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.609 -2.739 4.033 1.00 0.71 C ATOM 0 H LEU A 57 2.913 -1.033 4.057 1.00 0.37 H new ATOM 0 HA LEU A 57 0.777 0.601 3.202 1.00 0.36 H new ATOM 0 HB2 LEU A 57 0.889 -1.917 3.248 1.00 0.43 H new ATOM 0 HB3 LEU A 57 0.725 -1.852 4.992 1.00 0.43 H new ATOM 0 HG LEU A 57 -1.474 -0.731 4.732 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.558 -0.718 2.520 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -1.110 0.316 2.554 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -1.042 -1.285 1.781 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.694 -2.715 3.928 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -1.182 -3.359 3.245 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.348 -3.157 5.005 1.00 0.71 H new ATOM 871 N LYS A 58 1.401 0.573 6.428 1.00 0.36 N ATOM 872 CA LYS A 58 1.111 1.240 7.695 1.00 0.42 C ATOM 873 C LYS A 58 1.222 2.755 7.553 1.00 0.41 C ATOM 874 O LYS A 58 0.379 3.498 8.057 1.00 0.44 O ATOM 875 CB LYS A 58 2.065 0.750 8.785 1.00 0.50 C ATOM 876 CG LYS A 58 1.748 1.300 10.169 1.00 0.74 C ATOM 877 CD LYS A 58 2.706 0.760 11.219 1.00 1.10 C ATOM 878 CE LYS A 58 4.121 1.281 11.015 1.00 1.13 C ATOM 879 NZ LYS A 58 4.264 2.712 11.404 1.00 1.39 N ATOM 0 H LYS A 58 2.177 -0.087 6.471 1.00 0.36 H new ATOM 0 HA LYS A 58 0.088 0.993 7.978 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.033 -0.339 8.821 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.084 1.031 8.517 1.00 0.50 H new ATOM 0 HG2 LYS A 58 1.804 2.388 10.150 1.00 0.74 H new ATOM 0 HG3 LYS A 58 0.725 1.038 10.440 1.00 0.74 H new ATOM 0 HD2 LYS A 58 2.354 1.042 12.211 1.00 1.10 H new ATOM 0 HD3 LYS A 58 2.711 -0.329 11.181 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.815 0.678 11.601 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.401 1.163 9.968 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 4.744 3.232 10.642 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 3.323 3.124 11.564 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 4.825 2.780 12.277 1.00 1.39 H new ATOM 893 N ALA A 59 2.257 3.203 6.850 1.00 0.43 N ATOM 894 CA ALA A 59 2.482 4.626 6.632 1.00 0.48 C ATOM 895 C ALA A 59 1.318 5.246 5.870 1.00 0.44 C ATOM 896 O ALA A 59 0.875 6.354 6.184 1.00 0.47 O ATOM 897 CB ALA A 59 3.783 4.850 5.877 1.00 0.56 C ATOM 0 H ALA A 59 2.956 2.597 6.420 1.00 0.43 H new ATOM 0 HA ALA A 59 2.555 5.111 7.605 1.00 0.48 H new ATOM 0 HB1 ALA A 59 3.935 5.918 5.723 1.00 0.56 H new ATOM 0 HB2 ALA A 59 4.614 4.445 6.455 1.00 0.56 H new ATOM 0 HB3 ALA A 59 3.734 4.347 4.911 1.00 0.56 H new ATOM 903 N VAL A 60 0.819 4.520 4.877 1.00 0.39 N ATOM 904 CA VAL A 60 -0.302 4.990 4.075 1.00 0.38 C ATOM 905 C VAL A 60 -1.561 5.088 4.932 1.00 0.37 C ATOM 906 O VAL A 60 -2.281 6.086 4.884 1.00 0.40 O ATOM 907 CB VAL A 60 -0.564 4.067 2.868 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.676 4.623 1.989 1.00 0.44 C ATOM 909 CG2 VAL A 60 0.708 3.870 2.056 1.00 0.41 C ATOM 0 H VAL A 60 1.174 3.602 4.608 1.00 0.39 H new ATOM 0 HA VAL A 60 -0.042 5.978 3.695 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.884 3.097 3.249 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.841 3.954 1.145 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.593 4.706 2.572 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.390 5.608 1.620 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.501 3.216 1.209 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.060 4.835 1.692 1.00 0.41 H new ATOM 0 HG23 VAL A 60 1.475 3.418 2.685 1.00 0.41 H new ATOM 919 N VAL A 61 -1.808 4.050 5.728 1.00 0.36 N ATOM 920 CA VAL A 61 -2.966 4.015 6.616 1.00 0.40 C ATOM 921 C VAL A 61 -2.904 5.173 7.611 1.00 0.44 C ATOM 922 O VAL A 61 -3.892 5.877 7.831 1.00 0.49 O ATOM 923 CB VAL A 61 -3.044 2.679 7.387 1.00 0.43 C ATOM 924 CG1 VAL A 61 -4.159 2.700 8.421 1.00 0.53 C ATOM 925 CG2 VAL A 61 -3.243 1.521 6.423 1.00 0.43 C ATOM 0 H VAL A 61 -1.218 3.219 5.776 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.859 4.110 5.998 1.00 0.40 H new ATOM 0 HB VAL A 61 -2.099 2.543 7.914 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -4.187 1.745 8.946 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.977 3.502 9.136 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -5.114 2.868 7.923 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -3.296 0.587 6.982 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -4.170 1.665 5.868 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -2.406 1.480 5.726 1.00 0.43 H new ATOM 935 N GLU A 62 -1.724 5.374 8.185 1.00 0.47 N ATOM 936 CA GLU A 62 -1.500 6.443 9.147 1.00 0.54 C ATOM 937 C GLU A 62 -1.765 7.805 8.519 1.00 0.55 C ATOM 938 O GLU A 62 -2.436 8.654 9.109 1.00 0.61 O ATOM 939 CB GLU A 62 -0.069 6.376 9.676 1.00 0.61 C ATOM 940 CG GLU A 62 0.109 5.374 10.804 1.00 1.05 C ATOM 941 CD GLU A 62 1.512 5.370 11.368 1.00 1.17 C ATOM 942 OE1 GLU A 62 2.031 6.457 11.691 1.00 1.53 O ATOM 943 OE2 GLU A 62 2.103 4.277 11.493 1.00 1.76 O ATOM 0 H GLU A 62 -0.900 4.803 7.997 1.00 0.47 H new ATOM 0 HA GLU A 62 -2.195 6.311 9.976 1.00 0.54 H new ATOM 0 HB2 GLU A 62 0.602 6.114 8.858 1.00 0.61 H new ATOM 0 HB3 GLU A 62 0.228 7.364 10.027 1.00 0.61 H new ATOM 0 HG2 GLU A 62 -0.598 5.602 11.602 1.00 1.05 H new ATOM 0 HG3 GLU A 62 -0.134 4.376 10.439 1.00 1.05 H new ATOM 950 N HIS A 63 -1.245 8.000 7.311 1.00 0.54 N ATOM 951 CA HIS A 63 -1.422 9.255 6.585 1.00 0.61 C ATOM 952 C HIS A 63 -2.895 9.471 6.251 1.00 0.61 C ATOM 953 O HIS A 63 -3.411 10.586 6.348 1.00 0.69 O ATOM 954 CB HIS A 63 -0.582 9.244 5.303 1.00 0.67 C ATOM 955 CG HIS A 63 -0.495 10.576 4.617 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.490 11.498 4.886 1.00 0.85 N ATOM 957 CD2 HIS A 63 -1.274 11.134 3.657 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.314 12.564 4.127 1.00 0.97 C ATOM 959 NE2 HIS A 63 -0.750 12.368 3.372 1.00 1.04 N ATOM 0 H HIS A 63 -0.695 7.301 6.811 1.00 0.54 H new ATOM 0 HA HIS A 63 -1.086 10.077 7.218 1.00 0.61 H new ATOM 0 HB2 HIS A 63 0.425 8.905 5.544 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -1.006 8.517 4.610 1.00 0.67 H new ATOM 0 HD2 HIS A 63 -2.146 10.688 3.201 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.936 13.447 4.125 1.00 0.97 H new ATOM 0 HE2 HIS A 63 -1.122 13.027 2.688 1.00 1.04 H new ATOM 968 N ALA A 64 -3.567 8.396 5.856 1.00 0.56 N ATOM 969 CA ALA A 64 -4.979 8.463 5.513 1.00 0.62 C ATOM 970 C ALA A 64 -5.815 8.831 6.728 1.00 0.70 C ATOM 971 O ALA A 64 -6.651 9.721 6.661 1.00 0.85 O ATOM 972 CB ALA A 64 -5.450 7.147 4.927 1.00 0.61 C ATOM 0 H ALA A 64 -3.155 7.467 5.766 1.00 0.56 H new ATOM 0 HA ALA A 64 -5.106 9.242 4.761 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -6.509 7.218 4.677 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.879 6.925 4.026 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -5.302 6.350 5.656 1.00 0.61 H new ATOM 978 N ARG A 65 -5.573 8.153 7.838 1.00 0.69 N ATOM 979 CA ARG A 65 -6.304 8.415 9.072 1.00 0.82 C ATOM 980 C ARG A 65 -6.085 9.852 9.539 1.00 0.85 C ATOM 981 O ARG A 65 -7.015 10.519 9.985 1.00 0.96 O ATOM 982 CB ARG A 65 -5.857 7.431 10.162 1.00 0.89 C ATOM 983 CG ARG A 65 -6.210 7.864 11.579 1.00 1.36 C ATOM 984 CD ARG A 65 -7.664 7.570 11.921 1.00 1.44 C ATOM 985 NE ARG A 65 -7.915 6.137 12.094 1.00 2.20 N ATOM 986 CZ ARG A 65 -7.471 5.412 13.124 1.00 2.25 C ATOM 987 NH1 ARG A 65 -6.745 5.971 14.085 1.00 1.87 N ATOM 988 NH2 ARG A 65 -7.753 4.117 13.184 1.00 3.12 N ATOM 0 H ARG A 65 -4.874 7.414 7.912 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.368 8.278 8.879 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -6.312 6.460 9.967 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.777 7.297 10.094 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.560 7.350 12.287 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.021 8.932 11.689 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -7.933 8.097 12.836 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -8.306 7.956 11.130 1.00 1.44 H new ATOM 0 HE ARG A 65 -8.466 5.661 11.380 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -6.520 6.965 14.042 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -6.412 5.406 14.866 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -8.306 3.681 12.446 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -7.417 3.558 13.968 1.00 3.12 H new ATOM 1002 N GLU A 66 -4.856 10.328 9.407 1.00 0.79 N ATOM 1003 CA GLU A 66 -4.502 11.672 9.841 1.00 0.88 C ATOM 1004 C GLU A 66 -5.147 12.756 8.972 1.00 0.89 C ATOM 1005 O GLU A 66 -5.520 13.819 9.471 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.982 11.836 9.832 1.00 0.90 C ATOM 1007 CG GLU A 66 -2.490 13.035 10.624 1.00 1.05 C ATOM 1008 CD GLU A 66 -2.702 12.881 12.117 1.00 1.33 C ATOM 1009 OE1 GLU A 66 -3.823 13.141 12.596 1.00 1.82 O ATOM 1010 OE2 GLU A 66 -1.740 12.512 12.822 1.00 1.38 O ATOM 0 H GLU A 66 -4.083 9.801 9.001 1.00 0.79 H new ATOM 0 HA GLU A 66 -4.885 11.798 10.854 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -2.526 10.933 10.237 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -2.642 11.929 8.801 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -1.429 13.184 10.426 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -3.008 13.930 10.279 1.00 1.05 H new ATOM 1017 N ASN A 67 -5.286 12.493 7.677 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.862 13.480 6.762 1.00 0.87 C ATOM 1019 C ASN A 67 -7.303 13.149 6.390 1.00 0.89 C ATOM 1020 O ASN A 67 -7.877 13.785 5.503 1.00 0.97 O ATOM 1021 CB ASN A 67 -5.016 13.586 5.489 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.618 14.122 5.744 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.466 14.945 6.769 1.00 1.40 O flip ATOM 1024 ND2 ASN A 67 -2.679 13.795 5.021 1.00 1.09 N flip ATOM 0 H ASN A 67 -5.012 11.614 7.237 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.863 14.436 7.285 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.942 12.602 5.026 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.523 14.236 4.776 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -2.835 13.158 4.240 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -1.744 14.161 5.202 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.882 12.165 7.074 1.00 0.88 N ATOM 1032 CA ASN A 68 -9.262 11.739 6.820 1.00 0.94 C ATOM 1033 C ASN A 68 -9.440 11.329 5.359 1.00 0.87 C ATOM 1034 O ASN A 68 -10.279 11.877 4.639 1.00 0.94 O ATOM 1035 CB ASN A 68 -10.252 12.854 7.183 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.232 13.194 8.661 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.914 12.563 9.467 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -9.460 14.207 9.027 1.00 2.18 N ATOM 0 H ASN A 68 -7.415 11.642 7.815 1.00 0.88 H new ATOM 0 HA ASN A 68 -9.469 10.875 7.451 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -10.015 13.747 6.605 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -11.259 12.548 6.898 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -9.417 14.487 10.007 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -8.909 14.706 8.329 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.628 10.374 4.928 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.670 9.880 3.561 1.00 0.73 C ATOM 1047 C LEU A 69 -9.162 8.439 3.526 1.00 0.70 C ATOM 1048 O LEU A 69 -8.930 7.665 4.458 1.00 0.70 O ATOM 1049 CB LEU A 69 -7.282 9.952 2.911 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.512 11.256 3.121 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -5.086 11.113 2.614 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -7.201 12.409 2.412 1.00 0.77 C ATOM 0 H LEU A 69 -7.925 9.922 5.513 1.00 0.78 H new ATOM 0 HA LEU A 69 -9.360 10.513 3.003 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.679 9.130 3.297 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.395 9.788 1.839 1.00 0.66 H new ATOM 0 HG LEU A 69 -6.490 11.470 4.190 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.549 12.049 2.770 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.585 10.312 3.158 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -5.100 10.875 1.550 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.636 13.326 2.575 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.253 12.200 1.343 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -8.209 12.529 2.808 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.848 8.093 2.452 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.362 6.747 2.265 1.00 0.70 C ATOM 1066 C LYS A 70 -9.370 5.951 1.430 1.00 0.62 C ATOM 1067 O LYS A 70 -8.826 6.471 0.454 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.732 6.787 1.581 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.888 7.066 2.535 1.00 0.80 C ATOM 1070 CD LYS A 70 -12.932 8.524 2.966 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.121 8.806 3.872 1.00 1.93 C ATOM 1072 NZ LYS A 70 -14.107 7.966 5.100 1.00 3.05 N ATOM 0 H LYS A 70 -10.064 8.733 1.688 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.487 6.266 3.235 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.719 7.554 0.807 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.907 5.834 1.082 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.829 6.802 2.052 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.793 6.430 3.415 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -12.009 8.778 3.487 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -12.986 9.163 2.084 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.118 9.859 4.155 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -15.045 8.626 3.322 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -14.822 8.317 5.769 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -14.323 6.980 4.849 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -13.167 8.013 5.542 1.00 3.05 H new ATOM 1086 N ILE A 71 -9.124 4.702 1.806 1.00 0.62 N ATOM 1087 CA ILE A 71 -8.161 3.878 1.082 1.00 0.57 C ATOM 1088 C ILE A 71 -8.821 2.739 0.315 1.00 0.56 C ATOM 1089 O ILE A 71 -9.543 1.918 0.883 1.00 0.62 O ATOM 1090 CB ILE A 71 -7.096 3.270 2.023 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.360 4.370 2.782 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.102 2.423 1.229 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.253 3.850 3.667 1.00 0.86 C ATOM 0 H ILE A 71 -9.571 4.241 2.598 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.685 4.557 0.374 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.603 2.629 2.744 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.941 5.077 2.066 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -7.075 4.921 3.393 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.359 2.003 1.907 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.633 1.615 0.726 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.604 3.047 0.487 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.772 4.685 4.177 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.669 3.165 4.406 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.517 3.324 3.058 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.568 2.707 -0.986 1.00 0.53 N ATOM 1106 CA ILE A 72 -9.075 1.654 -1.853 1.00 0.54 C ATOM 1107 C ILE A 72 -7.901 1.007 -2.580 1.00 0.50 C ATOM 1108 O ILE A 72 -7.419 1.513 -3.593 1.00 0.75 O ATOM 1109 CB ILE A 72 -10.112 2.174 -2.876 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.714 3.554 -3.408 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.493 2.228 -2.243 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.301 3.869 -4.763 1.00 0.99 C ATOM 0 H ILE A 72 -8.007 3.409 -1.469 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.590 0.923 -1.229 1.00 0.54 H new ATOM 0 HB ILE A 72 -10.137 1.482 -3.718 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -10.034 4.315 -2.696 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.627 3.612 -3.469 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.214 2.596 -2.973 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.783 1.229 -1.918 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.473 2.898 -1.384 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.978 4.861 -5.078 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -9.961 3.129 -5.488 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.389 3.844 -4.703 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.419 -0.097 -2.037 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.281 -0.795 -2.614 1.00 0.43 C ATOM 1126 C ALA A 73 -6.672 -1.596 -3.848 1.00 0.43 C ATOM 1127 O ALA A 73 -7.472 -2.526 -3.770 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.645 -1.704 -1.579 1.00 0.50 C ATOM 0 H ALA A 73 -7.798 -0.531 -1.195 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.558 -0.042 -2.927 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.794 -2.221 -2.023 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.306 -1.109 -0.731 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.377 -2.436 -1.239 1.00 0.50 H new ATOM 1134 N SER A 74 -6.099 -1.225 -4.983 1.00 0.48 N ATOM 1135 CA SER A 74 -6.360 -1.907 -6.237 1.00 0.53 C ATOM 1136 C SER A 74 -5.436 -3.116 -6.361 1.00 0.46 C ATOM 1137 O SER A 74 -5.701 -4.048 -7.124 1.00 0.55 O ATOM 1138 CB SER A 74 -6.148 -0.949 -7.414 1.00 0.69 C ATOM 1139 OG SER A 74 -6.722 0.322 -7.144 1.00 0.94 O ATOM 0 H SER A 74 -5.444 -0.447 -5.059 1.00 0.48 H new ATOM 0 HA SER A 74 -7.395 -2.247 -6.254 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.081 -0.837 -7.609 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.594 -1.370 -8.315 1.00 0.69 H new ATOM 0 HG SER A 74 -6.027 1.011 -7.190 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.348 -3.083 -5.598 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.385 -4.170 -5.588 1.00 0.48 C ATOM 1147 C CYS A 75 -3.863 -5.265 -4.636 1.00 0.45 C ATOM 1148 O CYS A 75 -4.368 -4.974 -3.547 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.004 -3.658 -5.169 1.00 0.59 C ATOM 1150 SG CYS A 75 -0.624 -4.460 -6.023 1.00 1.31 S ATOM 0 H CYS A 75 -4.114 -2.309 -4.976 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.301 -4.583 -6.593 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -1.956 -2.585 -5.353 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.886 -3.803 -4.095 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.582 -5.717 -5.695 1.00 1.31 H new ATOM 1156 N SER A 76 -3.691 -6.512 -5.050 1.00 0.57 N ATOM 1157 CA SER A 76 -4.132 -7.658 -4.265 1.00 0.64 C ATOM 1158 C SER A 76 -3.447 -7.742 -2.897 1.00 0.61 C ATOM 1159 O SER A 76 -4.113 -7.954 -1.882 1.00 0.61 O ATOM 1160 CB SER A 76 -3.878 -8.941 -5.057 1.00 0.82 C ATOM 1161 OG SER A 76 -4.298 -8.792 -6.407 1.00 1.12 O ATOM 0 H SER A 76 -3.245 -6.758 -5.934 1.00 0.57 H new ATOM 0 HA SER A 76 -5.198 -7.533 -4.074 1.00 0.64 H new ATOM 0 HB2 SER A 76 -2.817 -9.188 -5.027 1.00 0.82 H new ATOM 0 HB3 SER A 76 -4.412 -9.771 -4.595 1.00 0.82 H new ATOM 0 HG SER A 76 -4.125 -9.623 -6.897 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.127 -7.563 -2.868 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.370 -7.650 -1.619 1.00 0.62 C ATOM 1169 C PHE A 77 -1.828 -6.618 -0.588 1.00 0.55 C ATOM 1170 O PHE A 77 -2.117 -6.964 0.561 1.00 0.58 O ATOM 1171 CB PHE A 77 0.126 -7.479 -1.883 1.00 0.68 C ATOM 1172 CG PHE A 77 0.961 -7.623 -0.642 1.00 0.74 C ATOM 1173 CD1 PHE A 77 1.110 -8.854 -0.025 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.608 -6.527 -0.103 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.890 -8.987 1.106 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.385 -6.652 1.028 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.479 -7.897 1.667 1.00 0.95 C ATOM 0 H PHE A 77 -1.561 -7.358 -3.691 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.559 -8.641 -1.207 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.447 -8.218 -2.618 1.00 0.68 H new ATOM 0 HB3 PHE A 77 0.302 -6.497 -2.321 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.610 -9.720 -0.434 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.503 -5.561 -0.574 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.033 -9.962 1.548 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.918 -5.798 1.419 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.016 -7.990 2.599 1.00 0.95 H new ATOM 1187 N ALA A 78 -1.884 -5.358 -1.002 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.290 -4.277 -0.112 1.00 0.46 C ATOM 1189 C ALA A 78 -3.678 -4.529 0.460 1.00 0.44 C ATOM 1190 O ALA A 78 -3.893 -4.410 1.669 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.249 -2.944 -0.844 1.00 0.47 C ATOM 0 H ALA A 78 -1.653 -5.059 -1.950 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.586 -4.241 0.719 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.555 -2.147 -0.166 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.235 -2.753 -1.195 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.928 -2.976 -1.696 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.609 -4.905 -0.406 1.00 0.44 N ATOM 1198 CA LYS A 79 -5.979 -5.169 0.008 1.00 0.47 C ATOM 1199 C LYS A 79 -6.038 -6.367 0.957 1.00 0.52 C ATOM 1200 O LYS A 79 -6.837 -6.395 1.894 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.859 -5.424 -1.217 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.328 -5.138 -0.972 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.223 -6.185 -1.614 1.00 0.87 C ATOM 1204 CE LYS A 79 -8.895 -7.587 -1.116 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.109 -8.426 -0.971 1.00 1.27 N ATOM 0 H LYS A 79 -4.439 -5.034 -1.403 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.352 -4.293 0.538 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.508 -4.805 -2.043 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.745 -6.463 -1.527 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.518 -5.106 0.101 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.578 -4.154 -1.369 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -10.266 -5.956 -1.396 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.108 -6.147 -2.697 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -8.205 -8.066 -1.811 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -8.385 -7.520 -0.155 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -9.836 -9.381 -0.663 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.742 -8.001 -0.263 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.601 -8.485 -1.885 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.178 -7.347 0.703 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.114 -8.560 1.513 1.00 0.64 C ATOM 1221 C HIS A 80 -4.798 -8.234 2.973 1.00 0.60 C ATOM 1222 O HIS A 80 -5.388 -8.811 3.888 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.055 -9.515 0.942 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.026 -10.865 1.595 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -3.396 -11.295 2.715 1.00 1.09 N flip ATOM 1226 CD2 HIS A 80 -4.690 -11.961 1.089 1.00 0.99 C flip ATOM 1227 CE1 HIS A 80 -3.689 -12.626 2.861 1.00 1.21 C flip ATOM 1228 NE2 HIS A 80 -4.472 -13.004 1.868 1.00 1.13 N flip ATOM 0 H HIS A 80 -4.508 -7.325 -0.066 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.090 -9.044 1.481 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -4.236 -9.644 -0.125 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.073 -9.053 1.045 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -5.295 -11.966 0.194 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -3.336 -13.262 3.659 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -4.845 -13.943 1.727 1.00 1.13 H new ATOM 1237 N MET A 81 -3.875 -7.307 3.184 1.00 0.58 N ATOM 1238 CA MET A 81 -3.482 -6.918 4.532 1.00 0.59 C ATOM 1239 C MET A 81 -4.523 -5.999 5.164 1.00 0.54 C ATOM 1240 O MET A 81 -4.798 -6.095 6.360 1.00 0.58 O ATOM 1241 CB MET A 81 -2.116 -6.229 4.512 1.00 0.64 C ATOM 1242 CG MET A 81 -1.533 -5.995 5.900 1.00 1.25 C ATOM 1243 SD MET A 81 0.130 -5.295 5.857 1.00 1.51 S ATOM 1244 CE MET A 81 0.921 -6.389 4.685 1.00 1.09 C ATOM 0 H MET A 81 -3.384 -6.810 2.440 1.00 0.58 H new ATOM 0 HA MET A 81 -3.414 -7.823 5.136 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.420 -6.836 3.932 1.00 0.64 H new ATOM 0 HB3 MET A 81 -2.208 -5.272 3.999 1.00 0.64 H new ATOM 0 HG2 MET A 81 -2.189 -5.325 6.455 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.510 -6.940 6.442 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.986 -6.454 4.909 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.474 -7.381 4.755 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.786 -6.000 3.676 1.00 1.09 H new ATOM 1254 N LEU A 82 -5.111 -5.125 4.350 1.00 0.50 N ATOM 1255 CA LEU A 82 -6.124 -4.185 4.827 1.00 0.51 C ATOM 1256 C LEU A 82 -7.323 -4.917 5.423 1.00 0.56 C ATOM 1257 O LEU A 82 -7.865 -4.506 6.446 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.593 -3.270 3.692 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.569 -2.244 3.200 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -6.116 -1.485 2.004 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -5.191 -1.282 4.317 1.00 0.49 C ATOM 0 H LEU A 82 -4.903 -5.048 3.354 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.664 -3.579 5.608 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.891 -3.892 2.848 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.483 -2.737 4.025 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.669 -2.776 2.891 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.377 -0.759 1.665 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.334 -2.185 1.197 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -7.031 -0.965 2.290 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.462 -0.561 3.946 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -6.081 -0.754 4.659 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.758 -1.840 5.147 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.721 -6.010 4.782 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.862 -6.800 5.241 1.00 0.70 C ATOM 1275 C GLU A 83 -8.497 -7.700 6.420 1.00 0.68 C ATOM 1276 O GLU A 83 -9.376 -8.221 7.107 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.417 -7.645 4.095 1.00 0.85 C ATOM 1278 CG GLU A 83 -10.476 -6.924 3.283 1.00 1.15 C ATOM 1279 CD GLU A 83 -10.907 -7.696 2.056 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -10.851 -8.940 2.074 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -11.294 -7.057 1.057 1.00 1.45 O ATOM 0 H GLU A 83 -7.271 -6.371 3.941 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.625 -6.100 5.581 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.598 -7.936 3.437 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.841 -8.563 4.501 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -11.346 -6.739 3.913 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -10.091 -5.951 2.977 1.00 1.15 H new ATOM 1288 N LYS A 84 -7.206 -7.897 6.644 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.751 -8.740 7.743 1.00 0.69 C ATOM 1290 C LYS A 84 -6.571 -7.926 9.020 1.00 0.68 C ATOM 1291 O LYS A 84 -7.082 -8.291 10.079 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.443 -9.445 7.383 1.00 0.76 C ATOM 1293 CG LYS A 84 -5.648 -10.779 6.680 1.00 0.99 C ATOM 1294 CD LYS A 84 -4.337 -11.526 6.480 1.00 1.43 C ATOM 1295 CE LYS A 84 -3.732 -11.979 7.803 1.00 1.94 C ATOM 1296 NZ LYS A 84 -4.667 -12.828 8.591 1.00 2.33 N ATOM 0 H LYS A 84 -6.458 -7.488 6.084 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.518 -9.494 7.919 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.852 -8.792 6.741 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.864 -9.607 8.292 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -6.331 -11.396 7.264 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -6.120 -10.610 5.712 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -4.508 -12.394 5.843 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -3.629 -10.882 5.959 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.815 -12.536 7.609 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -3.455 -11.104 8.392 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -4.145 -13.303 9.355 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -5.415 -12.233 9.001 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -5.095 -13.543 7.969 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.852 -6.819 8.916 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.606 -5.969 10.066 1.00 0.96 C ATOM 1312 C GLU A 85 -6.868 -5.203 10.440 1.00 0.93 C ATOM 1313 O GLU A 85 -7.411 -4.446 9.634 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.466 -4.997 9.772 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.698 -4.577 11.013 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.997 -5.745 11.671 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -3.636 -6.440 12.487 1.00 1.60 O ATOM 1318 OE2 GLU A 85 -1.810 -5.983 11.362 1.00 1.49 O ATOM 0 H GLU A 85 -5.430 -6.490 8.048 1.00 0.84 H new ATOM 0 HA GLU A 85 -5.320 -6.599 10.908 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.776 -5.460 9.066 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.871 -4.109 9.286 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.963 -3.818 10.744 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.384 -4.118 11.725 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.335 -5.405 11.666 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.540 -4.741 12.156 1.00 1.10 C ATOM 1327 C ASP A 86 -8.347 -3.227 12.222 1.00 1.02 C ATOM 1328 O ASP A 86 -9.295 -2.462 12.050 1.00 0.99 O ATOM 1329 CB ASP A 86 -8.937 -5.289 13.531 1.00 1.36 C ATOM 1330 CG ASP A 86 -7.992 -4.863 14.637 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -6.818 -5.287 14.620 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -8.421 -4.113 15.535 1.00 2.27 O ATOM 0 H ASP A 86 -6.895 -6.027 12.344 1.00 1.07 H new ATOM 0 HA ASP A 86 -9.346 -4.949 11.452 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -9.945 -4.952 13.773 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -8.967 -6.378 13.487 1.00 1.36 H new ATOM 1337 N SER A 87 -7.113 -2.800 12.451 1.00 1.05 N ATOM 1338 CA SER A 87 -6.792 -1.383 12.528 1.00 1.08 C ATOM 1339 C SER A 87 -6.816 -0.744 11.141 1.00 0.93 C ATOM 1340 O SER A 87 -7.204 0.412 10.981 1.00 0.97 O ATOM 1341 CB SER A 87 -5.414 -1.213 13.162 1.00 1.27 C ATOM 1342 OG SER A 87 -4.793 -2.479 13.330 1.00 1.46 O ATOM 0 H SER A 87 -6.314 -3.419 12.587 1.00 1.05 H new ATOM 0 HA SER A 87 -7.542 -0.883 13.142 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.792 -0.575 12.533 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.508 -0.715 14.127 1.00 1.27 H new ATOM 0 HG SER A 87 -5.216 -2.954 14.076 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.417 -1.512 10.131 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.392 -1.016 8.759 1.00 0.88 C ATOM 1350 C TYR A 88 -7.800 -0.998 8.168 1.00 0.89 C ATOM 1351 O TYR A 88 -8.084 -0.261 7.226 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.484 -1.879 7.880 1.00 0.93 C ATOM 1353 CG TYR A 88 -4.011 -1.853 8.258 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.542 -1.100 9.331 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.087 -2.600 7.533 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.199 -1.091 9.667 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.744 -2.596 7.867 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.307 -1.841 8.935 1.00 0.93 C ATOM 1359 OH TYR A 88 0.029 -1.841 9.273 1.00 1.00 O ATOM 0 H TYR A 88 -6.107 -2.478 10.237 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.998 0.000 8.783 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.836 -2.910 7.921 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.584 -1.549 6.846 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.238 -0.513 9.911 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.424 -3.193 6.695 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.853 -0.498 10.500 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -1.041 -3.182 7.293 1.00 0.97 H new ATOM 0 HH TYR A 88 0.522 -2.422 8.657 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.681 -1.804 8.750 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.065 -1.899 8.296 1.00 1.18 C ATOM 1371 C GLN A 89 -10.846 -0.630 8.628 1.00 1.16 C ATOM 1372 O GLN A 89 -11.999 -0.476 8.232 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.747 -3.120 8.914 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.492 -4.403 8.142 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.035 -5.630 8.843 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -10.189 -6.291 9.618 1.00 2.42 O flip ATOM 1377 NE2 GLN A 89 -12.202 -5.986 8.683 1.00 2.33 N flip ATOM 0 H GLN A 89 -8.460 -2.406 9.543 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.054 -2.013 7.212 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.396 -3.244 9.938 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.821 -2.941 8.964 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.947 -4.324 7.155 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.419 -4.523 7.990 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.821 -5.448 8.077 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -12.550 -6.819 9.157 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.204 0.273 9.358 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.823 1.537 9.737 1.00 1.17 C ATOM 1388 C ASP A 90 -10.895 2.477 8.536 1.00 1.09 C ATOM 1389 O ASP A 90 -11.932 3.086 8.274 1.00 1.33 O ATOM 1390 CB ASP A 90 -10.035 2.192 10.877 1.00 1.18 C ATOM 1391 CG ASP A 90 -10.386 3.653 11.078 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -11.502 3.937 11.557 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -9.554 4.522 10.749 1.00 2.03 O ATOM 0 H ASP A 90 -9.251 0.153 9.701 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.838 1.337 10.082 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -10.225 1.648 11.802 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -8.968 2.106 10.670 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.792 2.579 7.803 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.727 3.443 6.626 1.00 0.79 C ATOM 1400 C VAL A 91 -10.129 2.681 5.367 1.00 0.73 C ATOM 1401 O VAL A 91 -10.261 3.261 4.286 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.316 4.037 6.433 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -8.027 5.096 7.488 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -7.262 2.942 6.477 1.00 0.78 C ATOM 0 H VAL A 91 -8.928 2.074 8.002 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.429 4.260 6.794 1.00 0.79 H new ATOM 0 HB VAL A 91 -8.280 4.511 5.452 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -7.027 5.501 7.333 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.760 5.899 7.408 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.087 4.647 8.480 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.274 3.382 6.339 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.302 2.437 7.442 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.453 2.221 5.682 1.00 0.78 H new ATOM 1414 N TYR A 92 -10.314 1.378 5.518 1.00 0.72 N ATOM 1415 CA TYR A 92 -10.706 0.523 4.413 1.00 0.71 C ATOM 1416 C TYR A 92 -12.228 0.467 4.313 1.00 0.80 C ATOM 1417 O TYR A 92 -12.921 0.340 5.323 1.00 0.98 O ATOM 1418 CB TYR A 92 -10.123 -0.878 4.613 1.00 0.76 C ATOM 1419 CG TYR A 92 -10.435 -1.846 3.495 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.888 -1.670 2.233 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -11.276 -2.932 3.702 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -10.169 -2.548 1.207 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -11.561 -3.814 2.680 1.00 1.02 C ATOM 1424 CZ TYR A 92 -11.016 -3.633 1.451 1.00 1.02 C ATOM 1425 OH TYR A 92 -11.281 -4.497 0.415 1.00 1.14 O ATOM 0 H TYR A 92 -10.197 0.888 6.405 1.00 0.72 H new ATOM 0 HA TYR A 92 -10.316 0.932 3.481 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -9.041 -0.797 4.717 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -10.503 -1.287 5.549 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -9.231 -0.832 2.051 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -11.713 -3.088 4.677 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.740 -2.399 0.227 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -12.220 -4.651 2.859 1.00 1.02 H new ATOM 0 HH TYR A 92 -11.453 -5.393 0.772 1.00 1.14 H new ATOM 1435 N LEU A 93 -12.743 0.582 3.098 1.00 0.74 N ATOM 1436 CA LEU A 93 -14.186 0.555 2.874 1.00 0.84 C ATOM 1437 C LEU A 93 -14.681 -0.857 2.588 1.00 1.05 C ATOM 1438 O LEU A 93 -15.561 -1.368 3.282 1.00 1.14 O ATOM 1439 CB LEU A 93 -14.566 1.487 1.721 1.00 0.87 C ATOM 1440 CG LEU A 93 -14.314 2.975 1.978 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -12.875 3.342 1.651 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -15.281 3.829 1.170 1.00 1.42 C ATOM 0 H LEU A 93 -12.186 0.695 2.251 1.00 0.74 H new ATOM 0 HA LEU A 93 -14.667 0.903 3.788 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -14.008 1.188 0.834 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -15.623 1.347 1.495 1.00 0.87 H new ATOM 0 HG LEU A 93 -14.484 3.172 3.037 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -12.718 4.404 1.841 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -12.200 2.758 2.276 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -12.674 3.128 0.601 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -15.086 4.883 1.366 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.145 3.626 0.108 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -16.305 3.590 1.457 1.00 1.42 H new ATOM 1454 N GLY A 94 -14.120 -1.486 1.566 1.00 1.78 N ATOM 1455 CA GLY A 94 -14.523 -2.835 1.220 1.00 2.31 C ATOM 1456 C GLY A 94 -14.590 -3.047 -0.278 1.00 3.01 C ATOM 1457 O GLY A 94 -15.487 -2.530 -0.945 1.00 3.64 O ATOM 0 H GLY A 94 -13.394 -1.088 0.970 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -13.819 -3.545 1.654 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -15.499 -3.044 1.659 1.00 2.31 H new ATOM 1461 N LEU A 95 -13.642 -3.801 -0.811 1.00 3.25 N ATOM 1462 CA LEU A 95 -13.595 -4.070 -2.241 1.00 3.98 C ATOM 1463 C LEU A 95 -13.846 -5.544 -2.527 1.00 3.60 C ATOM 1464 O LEU A 95 -13.745 -5.995 -3.669 1.00 3.99 O ATOM 1465 CB LEU A 95 -12.242 -3.644 -2.818 1.00 4.97 C ATOM 1466 CG LEU A 95 -11.928 -2.149 -2.715 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -10.594 -1.839 -3.375 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -13.042 -1.316 -3.337 1.00 6.50 C ATOM 0 H LEU A 95 -12.893 -4.239 -0.275 1.00 3.25 H new ATOM 0 HA LEU A 95 -14.383 -3.490 -2.721 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -11.456 -4.200 -2.306 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -12.206 -3.935 -3.868 1.00 4.97 H new ATOM 0 HG LEU A 95 -11.860 -1.887 -1.659 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -10.387 -0.772 -3.293 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -9.803 -2.402 -2.879 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -10.635 -2.121 -4.427 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -12.796 -0.258 -3.252 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -13.149 -1.580 -4.389 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -13.979 -1.514 -2.816 1.00 6.50 H new ATOM 1480 N GLU A 96 -14.169 -6.299 -1.488 1.00 3.30 N ATOM 1481 CA GLU A 96 -14.446 -7.718 -1.645 1.00 3.30 C ATOM 1482 C GLU A 96 -15.918 -8.003 -1.388 1.00 3.83 C ATOM 1483 O GLU A 96 -16.699 -8.131 -2.330 1.00 4.33 O ATOM 1484 CB GLU A 96 -13.565 -8.560 -0.718 1.00 3.38 C ATOM 1485 CG GLU A 96 -13.281 -9.962 -1.246 1.00 3.76 C ATOM 1486 CD GLU A 96 -14.463 -10.903 -1.100 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -14.616 -11.507 -0.018 1.00 5.15 O ATOM 1488 OE2 GLU A 96 -15.248 -11.041 -2.062 1.00 5.06 O ATOM 0 H GLU A 96 -14.245 -5.954 -0.531 1.00 3.30 H new ATOM 0 HA GLU A 96 -14.211 -7.996 -2.672 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -12.619 -8.042 -0.562 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -14.049 -8.639 0.255 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -13.002 -9.898 -2.298 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -12.425 -10.378 -0.714 1.00 3.76 H new ATOM 1495 N HIS A 97 -16.312 -8.074 -0.123 1.00 4.10 N ATOM 1496 CA HIS A 97 -17.698 -8.357 0.211 1.00 4.81 C ATOM 1497 C HIS A 97 -18.139 -7.634 1.473 1.00 4.91 C ATOM 1498 O HIS A 97 -18.016 -8.162 2.579 1.00 5.78 O ATOM 1499 CB HIS A 97 -17.910 -9.860 0.377 1.00 5.50 C ATOM 1500 CG HIS A 97 -18.597 -10.494 -0.788 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -17.921 -11.039 -1.856 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -19.911 -10.659 -1.054 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -18.787 -11.513 -2.729 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -20.003 -11.295 -2.265 1.00 5.53 N ATOM 0 H HIS A 97 -15.697 -7.941 0.680 1.00 4.10 H new ATOM 0 HA HIS A 97 -18.309 -7.992 -0.615 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -16.944 -10.342 0.526 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -18.497 -10.039 1.278 1.00 5.50 H new ATOM 0 HD1 HIS A 97 -16.906 -11.071 -1.956 1.00 5.86 H new ATOM 0 HD2 HIS A 97 -20.735 -10.348 -0.429 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -18.543 -11.997 -3.663 1.00 5.88 H new ATOM 1513 N HIS A 98 -18.642 -6.419 1.307 1.00 4.24 N ATOM 1514 CA HIS A 98 -19.137 -5.642 2.434 1.00 4.57 C ATOM 1515 C HIS A 98 -20.600 -5.998 2.674 1.00 5.57 C ATOM 1516 O HIS A 98 -21.181 -5.670 3.706 1.00 6.29 O ATOM 1517 CB HIS A 98 -18.981 -4.143 2.167 1.00 4.01 C ATOM 1518 CG HIS A 98 -18.898 -3.312 3.411 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -17.766 -3.234 4.191 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -19.812 -2.510 4.002 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -17.987 -2.422 5.206 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -19.223 -1.967 5.114 1.00 5.02 N ATOM 0 H HIS A 98 -18.718 -5.951 0.404 1.00 4.24 H new ATOM 0 HA HIS A 98 -18.555 -5.881 3.324 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -18.082 -3.981 1.573 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -19.825 -3.800 1.568 1.00 4.01 H new ATOM 0 HD2 HIS A 98 -20.821 -2.330 3.661 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -17.278 -2.172 5.981 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -19.667 -1.318 5.764 1.00 5.02 H new ATOM 1531 N HIS A 99 -21.183 -6.671 1.688 1.00 5.88 N ATOM 1532 CA HIS A 99 -22.569 -7.117 1.746 1.00 7.00 C ATOM 1533 C HIS A 99 -22.811 -8.164 0.660 1.00 7.19 C ATOM 1534 O HIS A 99 -22.100 -8.189 -0.346 1.00 6.84 O ATOM 1535 CB HIS A 99 -23.544 -5.935 1.585 1.00 7.91 C ATOM 1536 CG HIS A 99 -23.343 -5.121 0.336 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -22.717 -3.893 0.330 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -23.692 -5.366 -0.950 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -22.686 -3.423 -0.903 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -23.272 -4.296 -1.696 1.00 10.32 N ATOM 0 H HIS A 99 -20.705 -6.923 0.823 1.00 5.88 H new ATOM 0 HA HIS A 99 -22.752 -7.561 2.725 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -24.564 -6.319 1.592 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -23.445 -5.279 2.450 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -24.206 -6.242 -1.319 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -22.253 -2.482 -1.210 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -23.394 -4.192 -2.703 1.00 10.32 H new ATOM 1549 N HIS A 100 -23.794 -9.030 0.863 1.00 7.91 N ATOM 1550 CA HIS A 100 -24.109 -10.060 -0.119 1.00 8.32 C ATOM 1551 C HIS A 100 -24.842 -9.439 -1.301 1.00 8.49 C ATOM 1552 O HIS A 100 -24.357 -9.466 -2.431 1.00 8.85 O ATOM 1553 CB HIS A 100 -24.966 -11.164 0.511 1.00 8.84 C ATOM 1554 CG HIS A 100 -24.964 -12.453 -0.258 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -24.922 -13.688 0.350 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -25.004 -12.694 -1.588 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -24.935 -14.631 -0.572 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -24.986 -14.054 -1.758 1.00 10.32 N ATOM 0 H HIS A 100 -24.385 -9.041 1.694 1.00 7.91 H new ATOM 0 HA HIS A 100 -23.177 -10.506 -0.468 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -24.607 -11.356 1.522 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -25.992 -10.807 0.599 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -25.043 -11.952 -2.372 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -24.908 -15.695 -0.388 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -25.008 -14.540 -2.654 1.00 10.32 H new ATOM 1567 N HIS A 101 -26.005 -8.865 -1.023 1.00 8.41 N ATOM 1568 CA HIS A 101 -26.815 -8.227 -2.053 1.00 8.73 C ATOM 1569 C HIS A 101 -27.819 -7.281 -1.412 1.00 9.24 C ATOM 1570 O HIS A 101 -28.004 -6.153 -1.861 1.00 9.03 O ATOM 1571 CB HIS A 101 -27.543 -9.277 -2.900 1.00 8.88 C ATOM 1572 CG HIS A 101 -28.100 -8.737 -4.185 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -29.435 -8.813 -4.521 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -27.488 -8.120 -5.226 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -29.620 -8.268 -5.710 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -28.454 -7.839 -6.158 1.00 9.49 N ATOM 0 H HIS A 101 -26.410 -8.828 -0.088 1.00 8.41 H new ATOM 0 HA HIS A 101 -26.156 -7.657 -2.708 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -26.853 -10.090 -3.127 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -28.356 -9.704 -2.313 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -26.435 -7.892 -5.306 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -30.564 -8.187 -6.228 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -28.297 -7.374 -7.052 1.00 9.49 H new ATOM 1585 N HIS A 102 -28.459 -7.748 -0.355 1.00 10.03 N ATOM 1586 CA HIS A 102 -29.438 -6.950 0.360 1.00 10.75 C ATOM 1587 C HIS A 102 -28.969 -6.716 1.783 1.00 11.48 C ATOM 1588 O HIS A 102 -28.646 -5.559 2.120 1.00 11.72 O ATOM 1589 CB HIS A 102 -30.802 -7.642 0.371 1.00 11.25 C ATOM 1590 CG HIS A 102 -31.823 -6.951 -0.474 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -32.862 -6.212 0.047 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -31.961 -6.893 -1.816 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -33.594 -5.730 -0.938 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -33.070 -6.128 -2.082 1.00 12.14 N ATOM 1595 OXT HIS A 102 -28.904 -7.695 2.553 1.00 11.93 O ATOM 0 H HIS A 102 -28.317 -8.682 0.029 1.00 10.03 H new ATOM 0 HA HIS A 102 -29.542 -5.993 -0.151 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -30.684 -8.667 0.020 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -31.166 -7.696 1.397 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -31.318 -7.362 -2.546 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -34.474 -5.114 -0.827 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -33.429 -5.904 -3.010 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -1.712 -12.975 -1.078 1.00 1.26 N HETATM 1606 C2A ACO A 103 -1.569 -11.670 -0.619 1.00 1.17 C HETATM 1607 N3A ACO A 103 -0.912 -11.455 0.591 1.00 1.07 N HETATM 1608 C4A ACO A 103 -0.442 -12.508 1.285 1.00 1.07 C HETATM 1609 C5A ACO A 103 -0.594 -13.756 0.823 1.00 1.24 C HETATM 1610 C6A ACO A 103 -1.222 -13.979 -0.338 1.00 1.33 C HETATM 1611 N6A ACO A 103 -1.334 -15.245 -0.725 1.00 1.58 N HETATM 1612 N7A ACO A 103 -0.038 -14.585 1.704 1.00 1.38 N HETATM 1613 C8A ACO A 103 0.455 -13.855 2.704 1.00 1.26 C HETATM 1614 N9A ACO A 103 0.205 -12.579 2.439 1.00 1.07 N HETATM 1615 C1B ACO A 103 0.580 -11.417 3.275 1.00 1.03 C HETATM 1616 C2B ACO A 103 0.207 -11.579 4.727 1.00 1.11 C HETATM 1617 O2B ACO A 103 -1.142 -11.144 4.941 1.00 1.48 O HETATM 1618 C3B ACO A 103 1.186 -10.661 5.437 1.00 1.01 C HETATM 1619 O3B ACO A 103 0.521 -9.466 5.885 1.00 1.23 O HETATM 1620 P3B ACO A 103 -0.632 -9.537 7.007 1.00 1.16 P HETATM 1621 O7A ACO A 103 -0.213 -8.456 8.121 1.00 1.71 O HETATM 1622 O8A ACO A 103 -0.543 -10.980 7.704 1.00 1.81 O HETATM 1623 O9A ACO A 103 -1.974 -9.266 6.451 1.00 2.04 O HETATM 1624 C4B ACO A 103 2.212 -10.304 4.365 1.00 1.04 C HETATM 1625 O4B ACO A 103 2.003 -11.254 3.303 1.00 1.04 O HETATM 1626 C5B ACO A 103 3.629 -10.404 4.911 1.00 1.18 C HETATM 1627 O5B ACO A 103 4.430 -11.203 4.032 1.00 1.28 O HETATM 1628 P1A ACO A 103 5.733 -10.574 3.323 1.00 1.52 P HETATM 1629 O1A ACO A 103 5.382 -9.279 2.699 1.00 2.30 O HETATM 1630 O2A ACO A 103 6.875 -10.583 4.273 1.00 2.20 O HETATM 1631 O3A ACO A 103 6.071 -11.633 2.162 1.00 1.44 O HETATM 1632 P2A ACO A 103 7.072 -11.235 0.965 1.00 1.59 P HETATM 1633 O4A ACO A 103 7.391 -12.439 0.156 1.00 2.35 O HETATM 1634 O5A ACO A 103 8.213 -10.456 1.492 1.00 2.24 O HETATM 1635 O6A ACO A 103 6.171 -10.273 0.042 1.00 1.29 O HETATM 1636 CBP ACO A 103 4.426 -10.031 -1.631 1.00 0.94 C HETATM 1637 CCP ACO A 103 4.835 -10.657 -0.293 1.00 1.05 C HETATM 1638 CDP ACO A 103 3.047 -10.564 -2.028 1.00 1.01 C HETATM 1639 CEP ACO A 103 4.370 -8.500 -1.488 1.00 0.88 C HETATM 1640 CAP ACO A 103 5.460 -10.408 -2.701 1.00 0.97 C HETATM 1641 OAP ACO A 103 5.394 -11.814 -2.953 1.00 1.11 O HETATM 1642 C9P ACO A 103 5.183 -9.638 -3.996 1.00 0.94 C HETATM 1643 O9P ACO A 103 5.975 -8.785 -4.399 1.00 0.99 O HETATM 1644 N8P ACO A 103 4.045 -9.959 -4.631 1.00 1.53 N HETATM 1645 C7P ACO A 103 3.244 -8.956 -5.350 1.00 1.93 C HETATM 1646 C6P ACO A 103 2.017 -8.576 -4.518 1.00 2.42 C HETATM 1647 C5P ACO A 103 1.085 -7.669 -5.327 1.00 2.41 C HETATM 1648 O5P ACO A 103 -0.124 -7.635 -5.092 1.00 3.30 O HETATM 1649 N4P ACO A 103 1.684 -6.943 -6.282 1.00 1.79 N HETATM 1650 C3P ACO A 103 1.894 -7.467 -7.639 1.00 2.18 C HETATM 1651 C2P ACO A 103 1.225 -6.547 -8.663 1.00 2.07 C HETATM 1652 S1P ACO A 103 2.461 -5.594 -9.617 1.00 2.13 S HETATM 1653 C ACO A 103 3.357 -4.833 -8.282 1.00 1.95 C HETATM 1654 O ACO A 103 2.674 -3.986 -7.353 1.00 1.49 O HETATM 1655 CH3 ACO A 103 4.856 -5.092 -8.121 1.00 3.07 C HETATM 0 HO2A ACO A 103 -1.664 -11.281 4.123 1.00 1.48 H new HETATM 0 HH33 ACO A 103 5.028 -6.159 -7.978 1.00 3.07 H new HETATM 0 HH32 ACO A 103 5.381 -4.756 -9.015 1.00 3.07 H new HETATM 0 HH31 ACO A 103 5.229 -4.545 -7.255 1.00 3.07 H new HETATM 0 H62A ACO A 103 -0.953 -15.992 -0.144 1.00 1.58 H new HETATM 0 H61A ACO A 103 -1.801 -15.470 -1.603 1.00 1.58 H new HETATM 0 H52A ACO A 103 4.062 -9.409 5.009 1.00 1.18 H new HETATM 0 H51A ACO A 103 3.615 -10.845 5.908 1.00 1.18 H new HETATM 0 H143 ACO A 103 3.640 -8.232 -0.725 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.352 -8.126 -1.198 1.00 0.88 H new HETATM 0 H141 ACO A 103 4.079 -8.056 -2.440 1.00 0.88 H new HETATM 0 H133 ACO A 103 3.091 -11.649 -2.127 1.00 1.01 H new HETATM 0 H132 ACO A 103 2.320 -10.299 -1.260 1.00 1.01 H new HETATM 0 H131 ACO A 103 2.747 -10.124 -2.979 1.00 1.01 H new HETATM 0 H122 ACO A 103 4.765 -11.743 -0.354 1.00 1.05 H new HETATM 0 H121 ACO A 103 4.149 -10.337 0.492 1.00 1.05 H new HETATM 0 HO1 ACO A 103 6.053 -12.055 -3.637 1.00 1.11 H new HETATM 0 HN8 ACO A 103 3.726 -10.928 -4.615 1.00 1.53 H new HETATM 0 HN4 ACO A 103 2.003 -6.000 -6.060 1.00 1.79 H new HETATM 0 H8A ACO A 103 0.972 -14.238 3.584 1.00 1.26 H new HETATM 0 H72 ACO A 103 3.848 -8.071 -5.549 1.00 1.93 H new HETATM 0 H71 ACO A 103 2.931 -9.352 -6.316 1.00 1.93 H new HETATM 0 H62 ACO A 103 1.484 -9.476 -4.212 1.00 2.42 H new HETATM 0 H61 ACO A 103 2.331 -8.066 -3.607 1.00 2.42 H new HETATM 0 H4B ACO A 103 2.090 -9.278 4.019 1.00 1.04 H new HETATM 0 H3B ACO A 103 1.630 -11.131 6.315 1.00 1.01 H new HETATM 0 H32 ACO A 103 2.961 -7.542 -7.848 1.00 2.18 H new HETATM 0 H31 ACO A 103 1.482 -8.473 -7.717 1.00 2.18 H new HETATM 0 H2B ACO A 103 0.257 -12.610 5.078 1.00 1.11 H new HETATM 0 H2A ACO A 103 -1.963 -10.832 -1.194 1.00 1.17 H new HETATM 0 H22 ACO A 103 0.617 -7.141 -9.345 1.00 2.07 H new HETATM 0 H21 ACO A 103 0.551 -5.860 -8.151 1.00 2.07 H new HETATM 0 H1B ACO A 103 0.049 -10.578 2.825 1.00 1.03 H new HETATM 0 H10 ACO A 103 6.456 -10.148 -2.342 1.00 0.97 H new