USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HE2:sc= 1.15 K(o=3.9,f=-5.4!) USER MOD Set 1.2: A 74 GLN : amide:sc= 1.55 K(o=3.9,f=-4.8!) USER MOD Set 1.3: A 109 THR OG1 : rot 77:sc= 1.24 USER MOD Set 2.1: A 88 GLN : amide:sc= -1.47 K(o=-1.8,f=-5.5!) USER MOD Set 2.2: A 93 HIS : no HD1:sc= -0.316 K(o=-1.8,f=-1) USER MOD Set 3.1: A 68 LYS NZ :NH3+ -163:sc= 1.61 (180deg=0.0662) USER MOD Set 3.2: A 69 TYR OH : rot -155:sc= 1.98 USER MOD Single : A 9 MET CE :methyl 163:sc= -0.113 (180deg=-0.597) USER MOD Single : A 10 THR OG1 : rot 72:sc= 0.792 USER MOD Single : A 12 GLN : amide:sc= -0.0819 K(o=-0.082,f=-0.69) USER MOD Single : A 13 MET CE :methyl 177:sc= -2.76! (180deg=-2.91!) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.15) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.672 K(o=0.67,f=-6.3!) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.17) USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.131 (180deg=-0.799) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 1.15 K(o=1.2,f=-2.1!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-1.4) USER MOD Single : A 95 HIS : no HD1:sc= -0.371 K(o=-0.37,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 105 SER OG : rot 71:sc= 1.12 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -2.004 10.918 -9.581 1.00 0.00 N ATOM 82 CA LEU A 6 -1.319 10.327 -8.435 1.00 0.00 C ATOM 83 C LEU A 6 -2.314 9.815 -7.393 1.00 0.00 C ATOM 84 O LEU A 6 -1.980 8.961 -6.567 1.00 0.00 O ATOM 85 CB LEU A 6 -0.376 11.360 -7.804 1.00 0.00 C ATOM 86 CG LEU A 6 0.512 10.841 -6.670 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.429 9.735 -7.168 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.324 11.981 -6.076 1.00 0.00 C ATOM 0 HA LEU A 6 -0.739 9.474 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.265 11.766 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.975 12.187 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.128 10.426 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.051 9.381 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.829 8.910 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.065 10.121 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.952 11.600 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.954 12.421 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.650 12.741 -5.682 1.00 0.00 H new ATOM 100 N LEU A 7 -3.541 10.316 -7.443 1.00 0.00 N ATOM 101 CA LEU A 7 -4.545 9.946 -6.453 1.00 0.00 C ATOM 102 C LEU A 7 -4.993 8.508 -6.673 1.00 0.00 C ATOM 103 O LEU A 7 -5.019 7.715 -5.736 1.00 0.00 O ATOM 104 CB LEU A 7 -5.749 10.892 -6.515 1.00 0.00 C ATOM 105 CG LEU A 7 -6.469 11.156 -5.182 1.00 0.00 C ATOM 106 CD1 LEU A 7 -7.046 9.880 -4.590 1.00 0.00 C ATOM 107 CD2 LEU A 7 -5.526 11.824 -4.195 1.00 0.00 C ATOM 0 H LEU A 7 -3.864 10.974 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.097 10.030 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.415 11.847 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.472 10.482 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.303 11.828 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.546 10.109 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.764 9.448 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.242 9.167 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.050 12.005 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.670 11.175 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.181 12.773 -4.606 1.00 0.00 H new ATOM 119 N GLU A 8 -5.331 8.169 -7.914 1.00 0.00 N ATOM 120 CA GLU A 8 -5.803 6.829 -8.226 1.00 0.00 C ATOM 121 C GLU A 8 -4.704 5.798 -8.001 1.00 0.00 C ATOM 122 O GLU A 8 -4.984 4.638 -7.695 1.00 0.00 O ATOM 123 CB GLU A 8 -6.326 6.759 -9.659 1.00 0.00 C ATOM 124 CG GLU A 8 -5.283 7.005 -10.736 1.00 0.00 C ATOM 125 CD GLU A 8 -5.859 6.857 -12.129 1.00 0.00 C ATOM 126 OE1 GLU A 8 -6.560 7.780 -12.587 1.00 0.00 O ATOM 127 OE2 GLU A 8 -5.636 5.805 -12.764 1.00 0.00 O ATOM 0 H GLU A 8 -5.286 8.801 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.627 6.596 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.768 5.776 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.125 7.491 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.871 8.007 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.458 6.304 -10.609 1.00 0.00 H new ATOM 134 N MET A 9 -3.456 6.227 -8.155 1.00 0.00 N ATOM 135 CA MET A 9 -2.311 5.384 -7.825 1.00 0.00 C ATOM 136 C MET A 9 -2.346 5.026 -6.344 1.00 0.00 C ATOM 137 O MET A 9 -2.192 3.863 -5.967 1.00 0.00 O ATOM 138 CB MET A 9 -0.999 6.100 -8.153 1.00 0.00 C ATOM 139 CG MET A 9 -0.763 6.319 -9.640 1.00 0.00 C ATOM 140 SD MET A 9 0.709 7.315 -9.973 1.00 0.00 S ATOM 141 CE MET A 9 1.977 6.351 -9.149 1.00 0.00 C ATOM 0 H MET A 9 -3.211 7.153 -8.506 1.00 0.00 H new ATOM 0 HA MET A 9 -2.367 4.474 -8.422 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.990 7.066 -7.649 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.170 5.520 -7.746 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.662 5.353 -10.134 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.634 6.809 -10.074 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.959 6.658 -9.509 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.918 6.516 -8.073 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.826 5.293 -9.363 1.00 0.00 H new ATOM 151 N THR A 10 -2.570 6.037 -5.517 1.00 0.00 N ATOM 152 CA THR A 10 -2.684 5.847 -4.081 1.00 0.00 C ATOM 153 C THR A 10 -3.899 4.979 -3.753 1.00 0.00 C ATOM 154 O THR A 10 -3.785 3.997 -3.020 1.00 0.00 O ATOM 155 CB THR A 10 -2.794 7.205 -3.355 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.709 8.059 -3.750 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.773 7.021 -1.845 1.00 0.00 C ATOM 0 H THR A 10 -2.677 7.005 -5.821 1.00 0.00 H new ATOM 0 HA THR A 10 -1.783 5.341 -3.734 1.00 0.00 H new ATOM 0 HB THR A 10 -3.743 7.663 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.849 8.360 -4.672 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.852 7.993 -1.359 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.613 6.395 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.839 6.542 -1.550 1.00 0.00 H new ATOM 165 N GLU A 11 -5.052 5.338 -4.323 1.00 0.00 N ATOM 166 CA GLU A 11 -6.285 4.564 -4.152 1.00 0.00 C ATOM 167 C GLU A 11 -6.072 3.093 -4.498 1.00 0.00 C ATOM 168 O GLU A 11 -6.589 2.207 -3.819 1.00 0.00 O ATOM 169 CB GLU A 11 -7.395 5.135 -5.034 1.00 0.00 C ATOM 170 CG GLU A 11 -7.912 6.485 -4.573 1.00 0.00 C ATOM 171 CD GLU A 11 -8.801 6.387 -3.352 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.275 6.362 -2.225 1.00 0.00 O ATOM 173 OE2 GLU A 11 -10.040 6.360 -3.518 1.00 0.00 O ATOM 0 H GLU A 11 -5.158 6.165 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.575 4.635 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.023 5.228 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.225 4.429 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.067 7.136 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.468 6.953 -5.385 1.00 0.00 H new ATOM 180 N GLN A 12 -5.300 2.841 -5.549 1.00 0.00 N ATOM 181 CA GLN A 12 -5.023 1.480 -5.986 1.00 0.00 C ATOM 182 C GLN A 12 -4.306 0.694 -4.891 1.00 0.00 C ATOM 183 O GLN A 12 -4.662 -0.446 -4.600 1.00 0.00 O ATOM 184 CB GLN A 12 -4.181 1.488 -7.265 1.00 0.00 C ATOM 185 CG GLN A 12 -3.952 0.103 -7.856 1.00 0.00 C ATOM 186 CD GLN A 12 -5.245 -0.576 -8.272 1.00 0.00 C ATOM 187 OE1 GLN A 12 -6.208 0.083 -8.665 1.00 0.00 O ATOM 188 NE2 GLN A 12 -5.281 -1.896 -8.187 1.00 0.00 N ATOM 0 H GLN A 12 -4.855 3.564 -6.114 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.975 0.992 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.673 2.114 -8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.215 1.946 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.295 0.186 -8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.438 -0.520 -7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.463 -2.408 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.127 -2.401 -8.452 1.00 0.00 H new ATOM 197 N MET A 13 -3.303 1.316 -4.278 1.00 0.00 N ATOM 198 CA MET A 13 -2.548 0.669 -3.209 1.00 0.00 C ATOM 199 C MET A 13 -3.419 0.503 -1.967 1.00 0.00 C ATOM 200 O MET A 13 -3.327 -0.502 -1.261 1.00 0.00 O ATOM 201 CB MET A 13 -1.289 1.476 -2.871 1.00 0.00 C ATOM 202 CG MET A 13 -0.389 0.799 -1.846 1.00 0.00 C ATOM 203 SD MET A 13 1.120 1.729 -1.520 1.00 0.00 S ATOM 204 CE MET A 13 1.850 1.767 -3.155 1.00 0.00 C ATOM 0 H MET A 13 -2.995 2.262 -4.501 1.00 0.00 H new ATOM 0 HA MET A 13 -2.242 -0.318 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.720 1.647 -3.785 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.585 2.454 -2.492 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.940 0.670 -0.914 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.127 -0.198 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.767 2.355 -3.130 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.079 0.751 -3.475 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.148 2.218 -3.856 1.00 0.00 H new ATOM 214 N ILE A 14 -4.278 1.486 -1.716 1.00 0.00 N ATOM 215 CA ILE A 14 -5.196 1.426 -0.585 1.00 0.00 C ATOM 216 C ILE A 14 -6.168 0.262 -0.759 1.00 0.00 C ATOM 217 O ILE A 14 -6.432 -0.486 0.184 1.00 0.00 O ATOM 218 CB ILE A 14 -5.991 2.743 -0.423 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.040 3.927 -0.223 1.00 0.00 C ATOM 220 CG2 ILE A 14 -6.958 2.639 0.750 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.744 5.264 -0.104 1.00 0.00 C ATOM 0 H ILE A 14 -4.357 2.332 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.599 1.277 0.315 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.564 2.911 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.448 3.757 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.343 3.967 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.510 3.574 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.657 1.822 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.399 2.447 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.005 6.053 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.314 5.457 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.420 5.244 0.751 1.00 0.00 H new ATOM 233 N GLU A 15 -6.670 0.103 -1.979 1.00 0.00 N ATOM 234 CA GLU A 15 -7.591 -0.976 -2.298 1.00 0.00 C ATOM 235 C GLU A 15 -6.962 -2.332 -2.003 1.00 0.00 C ATOM 236 O GLU A 15 -7.620 -3.219 -1.476 1.00 0.00 O ATOM 237 CB GLU A 15 -8.001 -0.913 -3.767 1.00 0.00 C ATOM 238 CG GLU A 15 -8.972 -2.013 -4.164 1.00 0.00 C ATOM 239 CD GLU A 15 -9.257 -2.048 -5.648 1.00 0.00 C ATOM 240 OE1 GLU A 15 -9.674 -1.014 -6.206 1.00 0.00 O ATOM 241 OE2 GLU A 15 -9.095 -3.129 -6.255 1.00 0.00 O ATOM 0 H GLU A 15 -6.451 0.713 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.476 -0.855 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.457 0.056 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.109 -0.982 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.566 -2.976 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.909 -1.875 -3.624 1.00 0.00 H new ATOM 248 N VAL A 16 -5.688 -2.488 -2.349 1.00 0.00 N ATOM 249 CA VAL A 16 -4.986 -3.744 -2.107 1.00 0.00 C ATOM 250 C VAL A 16 -4.850 -4.006 -0.611 1.00 0.00 C ATOM 251 O VAL A 16 -5.030 -5.136 -0.150 1.00 0.00 O ATOM 252 CB VAL A 16 -3.589 -3.761 -2.768 1.00 0.00 C ATOM 253 CG1 VAL A 16 -2.907 -5.103 -2.562 1.00 0.00 C ATOM 254 CG2 VAL A 16 -3.697 -3.451 -4.248 1.00 0.00 C ATOM 0 H VAL A 16 -5.123 -1.765 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.584 -4.535 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.982 -2.991 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.926 -5.089 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.791 -5.292 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.514 -5.892 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.704 -3.467 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.326 -4.199 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.139 -2.464 -4.382 1.00 0.00 H new ATOM 264 N ALA A 17 -4.558 -2.957 0.145 1.00 0.00 N ATOM 265 CA ALA A 17 -4.455 -3.067 1.595 1.00 0.00 C ATOM 266 C ALA A 17 -5.801 -3.457 2.199 1.00 0.00 C ATOM 267 O ALA A 17 -5.888 -4.392 2.996 1.00 0.00 O ATOM 268 CB ALA A 17 -3.959 -1.758 2.190 1.00 0.00 C ATOM 0 H ALA A 17 -4.388 -2.020 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.735 -3.849 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.887 -1.855 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.977 -1.521 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.657 -0.958 1.943 1.00 0.00 H new ATOM 274 N GLU A 18 -6.848 -2.743 1.802 1.00 0.00 N ATOM 275 CA GLU A 18 -8.198 -3.040 2.237 1.00 0.00 C ATOM 276 C GLU A 18 -8.610 -4.449 1.831 1.00 0.00 C ATOM 277 O GLU A 18 -9.183 -5.187 2.627 1.00 0.00 O ATOM 278 CB GLU A 18 -9.170 -2.030 1.641 1.00 0.00 C ATOM 279 CG GLU A 18 -9.148 -0.672 2.318 1.00 0.00 C ATOM 280 CD GLU A 18 -10.209 0.255 1.768 1.00 0.00 C ATOM 281 OE1 GLU A 18 -11.357 -0.194 1.582 1.00 0.00 O ATOM 282 OE2 GLU A 18 -9.906 1.440 1.525 1.00 0.00 O ATOM 0 H GLU A 18 -6.780 -1.945 1.171 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.224 -2.975 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.939 -1.900 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.180 -2.436 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.299 -0.799 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.166 -0.217 2.186 1.00 0.00 H new ATOM 289 N LYS A 19 -8.306 -4.810 0.592 1.00 0.00 N ATOM 290 CA LYS A 19 -8.653 -6.109 0.048 1.00 0.00 C ATOM 291 C LYS A 19 -8.027 -7.222 0.885 1.00 0.00 C ATOM 292 O LYS A 19 -8.684 -8.210 1.216 1.00 0.00 O ATOM 293 CB LYS A 19 -8.158 -6.189 -1.395 1.00 0.00 C ATOM 294 CG LYS A 19 -8.938 -7.146 -2.271 1.00 0.00 C ATOM 295 CD LYS A 19 -8.300 -7.281 -3.649 1.00 0.00 C ATOM 296 CE LYS A 19 -8.178 -5.937 -4.362 1.00 0.00 C ATOM 297 NZ LYS A 19 -9.496 -5.416 -4.816 1.00 0.00 N ATOM 0 H LYS A 19 -7.810 -4.206 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.735 -6.236 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.201 -5.194 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.111 -6.491 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.985 -8.124 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.964 -6.793 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.311 -7.728 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.896 -7.961 -4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.715 -5.213 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.516 -6.043 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.351 -4.575 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.988 -6.148 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.072 -5.161 -3.989 1.00 0.00 H new ATOM 311 N GLY A 20 -6.757 -7.044 1.230 1.00 0.00 N ATOM 312 CA GLY A 20 -6.069 -8.013 2.060 1.00 0.00 C ATOM 313 C GLY A 20 -6.605 -8.040 3.477 1.00 0.00 C ATOM 314 O GLY A 20 -6.808 -9.112 4.051 1.00 0.00 O ATOM 0 H GLY A 20 -6.191 -6.244 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.169 -9.004 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.005 -7.779 2.081 1.00 0.00 H new ATOM 318 N ALA A 21 -6.848 -6.858 4.036 1.00 0.00 N ATOM 319 CA ALA A 21 -7.372 -6.740 5.392 1.00 0.00 C ATOM 320 C ALA A 21 -8.752 -7.379 5.502 1.00 0.00 C ATOM 321 O ALA A 21 -9.039 -8.095 6.462 1.00 0.00 O ATOM 322 CB ALA A 21 -7.429 -5.278 5.815 1.00 0.00 C ATOM 0 H ALA A 21 -6.689 -5.966 3.568 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.697 -7.272 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.822 -5.208 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.427 -4.851 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.079 -4.728 5.135 1.00 0.00 H new ATOM 328 N ASP A 22 -9.601 -7.128 4.510 1.00 0.00 N ATOM 329 CA ASP A 22 -10.943 -7.706 4.478 1.00 0.00 C ATOM 330 C ASP A 22 -10.863 -9.223 4.368 1.00 0.00 C ATOM 331 O ASP A 22 -11.610 -9.946 5.026 1.00 0.00 O ATOM 332 CB ASP A 22 -11.746 -7.140 3.304 1.00 0.00 C ATOM 333 CG ASP A 22 -13.143 -7.724 3.209 1.00 0.00 C ATOM 334 OD1 ASP A 22 -14.056 -7.224 3.904 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.347 -8.679 2.437 1.00 0.00 O ATOM 0 H ASP A 22 -9.384 -6.527 3.715 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.450 -7.444 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.816 -6.057 3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.211 -7.338 2.375 1.00 0.00 H new ATOM 340 N ARG A 23 -9.935 -9.694 3.545 1.00 0.00 N ATOM 341 CA ARG A 23 -9.726 -11.123 3.354 1.00 0.00 C ATOM 342 C ARG A 23 -9.234 -11.768 4.649 1.00 0.00 C ATOM 343 O ARG A 23 -9.660 -12.866 5.013 1.00 0.00 O ATOM 344 CB ARG A 23 -8.708 -11.357 2.237 1.00 0.00 C ATOM 345 CG ARG A 23 -8.792 -12.739 1.610 1.00 0.00 C ATOM 346 CD ARG A 23 -10.088 -12.915 0.833 1.00 0.00 C ATOM 347 NE ARG A 23 -10.156 -12.036 -0.336 1.00 0.00 N ATOM 348 CZ ARG A 23 -11.148 -11.176 -0.568 1.00 0.00 C ATOM 349 NH1 ARG A 23 -12.131 -11.036 0.315 1.00 0.00 N ATOM 350 NH2 ARG A 23 -11.148 -10.448 -1.678 1.00 0.00 N ATOM 0 H ARG A 23 -9.311 -9.102 2.996 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.676 -11.580 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.856 -10.606 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.704 -11.210 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.943 -12.891 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.726 -13.499 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.179 -13.952 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.934 -12.710 1.489 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.397 -12.085 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.128 -11.587 1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.889 -10.377 0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.389 -10.547 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.907 -9.790 -1.856 1.00 0.00 H new ATOM 364 N TYR A 24 -8.335 -11.070 5.335 1.00 0.00 N ATOM 365 CA TYR A 24 -7.790 -11.531 6.607 1.00 0.00 C ATOM 366 C TYR A 24 -8.879 -11.555 7.675 1.00 0.00 C ATOM 367 O TYR A 24 -8.965 -12.495 8.468 1.00 0.00 O ATOM 368 CB TYR A 24 -6.638 -10.616 7.039 1.00 0.00 C ATOM 369 CG TYR A 24 -5.948 -11.030 8.322 1.00 0.00 C ATOM 370 CD1 TYR A 24 -5.033 -12.072 8.336 1.00 0.00 C ATOM 371 CD2 TYR A 24 -6.203 -10.365 9.514 1.00 0.00 C ATOM 372 CE1 TYR A 24 -4.389 -12.441 9.503 1.00 0.00 C ATOM 373 CE2 TYR A 24 -5.567 -10.729 10.686 1.00 0.00 C ATOM 374 CZ TYR A 24 -4.660 -11.767 10.675 1.00 0.00 C ATOM 375 OH TYR A 24 -4.015 -12.131 11.837 1.00 0.00 O ATOM 0 H TYR A 24 -7.964 -10.171 5.026 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.410 -12.545 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.898 -10.583 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.022 -9.603 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.820 -12.604 7.421 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.911 -9.549 9.526 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.677 -13.253 9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.779 -10.203 11.605 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.317 -11.557 12.572 1.00 0.00 H new ATOM 385 N GLN A 25 -9.716 -10.523 7.679 1.00 0.00 N ATOM 386 CA GLN A 25 -10.803 -10.419 8.646 1.00 0.00 C ATOM 387 C GLN A 25 -11.860 -11.486 8.384 1.00 0.00 C ATOM 388 O GLN A 25 -12.357 -12.122 9.319 1.00 0.00 O ATOM 389 CB GLN A 25 -11.429 -9.023 8.593 1.00 0.00 C ATOM 390 CG GLN A 25 -12.623 -8.843 9.515 1.00 0.00 C ATOM 391 CD GLN A 25 -13.133 -7.418 9.528 1.00 0.00 C ATOM 392 OE1 GLN A 25 -13.005 -6.686 8.546 1.00 0.00 O ATOM 393 NE2 GLN A 25 -13.727 -7.017 10.637 1.00 0.00 N ATOM 0 H GLN A 25 -9.662 -9.745 7.022 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.394 -10.580 9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.669 -8.286 8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.739 -8.814 7.569 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.425 -9.510 9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.344 -9.135 10.527 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.813 -7.654 11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.100 -6.070 10.702 1.00 0.00 H new ATOM 635 N LYS A 41 2.139 -13.491 -8.237 1.00 0.00 N ATOM 636 CA LYS A 41 3.096 -13.232 -9.305 1.00 0.00 C ATOM 637 C LYS A 41 2.714 -11.976 -10.101 1.00 0.00 C ATOM 638 O LYS A 41 3.497 -11.028 -10.142 1.00 0.00 O ATOM 639 CB LYS A 41 3.253 -14.468 -10.206 1.00 0.00 C ATOM 640 CG LYS A 41 3.993 -14.223 -11.509 1.00 0.00 C ATOM 641 CD LYS A 41 4.237 -15.532 -12.246 1.00 0.00 C ATOM 642 CE LYS A 41 2.935 -16.256 -12.565 1.00 0.00 C ATOM 643 NZ LYS A 41 2.250 -15.696 -13.765 1.00 0.00 N ATOM 0 HA LYS A 41 4.069 -13.034 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.779 -15.242 -9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.262 -14.859 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.415 -13.548 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.945 -13.732 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.777 -15.332 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.872 -16.177 -11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.142 -17.314 -12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.267 -16.191 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.370 -16.222 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.027 -14.694 -13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.874 -15.781 -14.592 1.00 0.00 H new ATOM 657 N PRO A 42 1.504 -11.904 -10.712 1.00 0.00 N ATOM 658 CA PRO A 42 1.097 -10.709 -11.461 1.00 0.00 C ATOM 659 C PRO A 42 0.866 -9.528 -10.528 1.00 0.00 C ATOM 660 O PRO A 42 1.305 -8.407 -10.789 1.00 0.00 O ATOM 661 CB PRO A 42 -0.217 -11.117 -12.141 1.00 0.00 C ATOM 662 CG PRO A 42 -0.318 -12.597 -11.978 1.00 0.00 C ATOM 663 CD PRO A 42 0.446 -12.932 -10.735 1.00 0.00 C ATOM 0 HA PRO A 42 1.860 -10.391 -12.171 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.068 -10.614 -11.681 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.214 -10.839 -13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.359 -12.909 -11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.099 -13.113 -12.843 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.185 -12.883 -9.847 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.862 -13.939 -10.775 1.00 0.00 H new ATOM 671 N ALA A 43 0.189 -9.800 -9.418 1.00 0.00 N ATOM 672 CA ALA A 43 -0.090 -8.780 -8.423 1.00 0.00 C ATOM 673 C ALA A 43 1.196 -8.278 -7.781 1.00 0.00 C ATOM 674 O ALA A 43 1.289 -7.117 -7.387 1.00 0.00 O ATOM 675 CB ALA A 43 -1.036 -9.320 -7.364 1.00 0.00 C ATOM 0 H ALA A 43 -0.177 -10.724 -9.187 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.569 -7.938 -8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.236 -8.544 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.972 -9.624 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.580 -10.180 -6.873 1.00 0.00 H new ATOM 681 N VAL A 44 2.193 -9.154 -7.692 1.00 0.00 N ATOM 682 CA VAL A 44 3.471 -8.795 -7.095 1.00 0.00 C ATOM 683 C VAL A 44 4.166 -7.729 -7.930 1.00 0.00 C ATOM 684 O VAL A 44 4.578 -6.695 -7.407 1.00 0.00 O ATOM 685 CB VAL A 44 4.398 -10.021 -6.950 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.729 -9.630 -6.321 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.718 -11.101 -6.126 1.00 0.00 C ATOM 0 H VAL A 44 2.138 -10.116 -8.026 1.00 0.00 H new ATOM 0 HA VAL A 44 3.265 -8.403 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 44 4.600 -10.414 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.362 -10.513 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.225 -8.890 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.554 -9.207 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.383 -11.960 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.486 -10.711 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.796 -11.409 -6.619 1.00 0.00 H new ATOM 697 N GLU A 45 4.265 -7.981 -9.231 1.00 0.00 N ATOM 698 CA GLU A 45 4.907 -7.055 -10.147 1.00 0.00 C ATOM 699 C GLU A 45 4.247 -5.682 -10.085 1.00 0.00 C ATOM 700 O GLU A 45 4.928 -4.658 -10.002 1.00 0.00 O ATOM 701 CB GLU A 45 4.834 -7.591 -11.574 1.00 0.00 C ATOM 702 CG GLU A 45 5.534 -8.924 -11.777 1.00 0.00 C ATOM 703 CD GLU A 45 5.480 -9.386 -13.218 1.00 0.00 C ATOM 704 OE1 GLU A 45 4.386 -9.776 -13.681 1.00 0.00 O ATOM 705 OE2 GLU A 45 6.528 -9.362 -13.897 1.00 0.00 O ATOM 0 H GLU A 45 3.905 -8.826 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 45 5.951 -6.955 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.787 -7.697 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.274 -6.856 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.574 -8.837 -11.464 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.071 -9.676 -11.139 1.00 0.00 H new ATOM 712 N GLU A 46 2.916 -5.672 -10.119 1.00 0.00 N ATOM 713 CA GLU A 46 2.155 -4.448 -10.049 1.00 0.00 C ATOM 714 C GLU A 46 2.445 -3.685 -8.764 1.00 0.00 C ATOM 715 O GLU A 46 2.862 -2.537 -8.808 1.00 0.00 O ATOM 716 CB GLU A 46 0.666 -4.762 -10.140 1.00 0.00 C ATOM 717 CG GLU A 46 0.209 -5.205 -11.519 1.00 0.00 C ATOM 718 CD GLU A 46 0.364 -4.117 -12.566 1.00 0.00 C ATOM 719 OE1 GLU A 46 -0.569 -3.305 -12.733 1.00 0.00 O ATOM 720 OE2 GLU A 46 1.413 -4.082 -13.241 1.00 0.00 O ATOM 0 H GLU A 46 2.346 -6.514 -10.196 1.00 0.00 H new ATOM 0 HA GLU A 46 2.450 -3.818 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.426 -5.545 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.100 -3.877 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.783 -6.080 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.836 -5.510 -11.470 1.00 0.00 H new ATOM 727 N ASN A 47 2.249 -4.337 -7.624 1.00 0.00 N ATOM 728 CA ASN A 47 2.362 -3.665 -6.329 1.00 0.00 C ATOM 729 C ASN A 47 3.797 -3.249 -6.024 1.00 0.00 C ATOM 730 O ASN A 47 4.022 -2.191 -5.439 1.00 0.00 O ATOM 731 CB ASN A 47 1.814 -4.545 -5.201 1.00 0.00 C ATOM 732 CG ASN A 47 0.297 -4.582 -5.181 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.346 -3.745 -4.555 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.287 -5.554 -5.863 1.00 0.00 N ATOM 0 H ASN A 47 2.012 -5.327 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 47 1.759 -2.759 -6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.198 -5.559 -5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.178 -4.172 -4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.304 -5.625 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.280 -6.232 -6.372 1.00 0.00 H new ATOM 741 N ASP A 48 4.764 -4.068 -6.423 1.00 0.00 N ATOM 742 CA ASP A 48 6.175 -3.733 -6.224 1.00 0.00 C ATOM 743 C ASP A 48 6.526 -2.430 -6.932 1.00 0.00 C ATOM 744 O ASP A 48 7.050 -1.496 -6.318 1.00 0.00 O ATOM 745 CB ASP A 48 7.082 -4.860 -6.733 1.00 0.00 C ATOM 746 CG ASP A 48 8.554 -4.481 -6.705 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.154 -4.443 -5.608 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.123 -4.228 -7.788 1.00 0.00 O ATOM 0 H ASP A 48 4.602 -4.964 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 48 6.338 -3.608 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.928 -5.750 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.796 -5.119 -7.752 1.00 0.00 H new ATOM 753 N GLU A 49 6.211 -2.356 -8.217 1.00 0.00 N ATOM 754 CA GLU A 49 6.514 -1.168 -8.998 1.00 0.00 C ATOM 755 C GLU A 49 5.556 -0.037 -8.658 1.00 0.00 C ATOM 756 O GLU A 49 5.900 1.135 -8.798 1.00 0.00 O ATOM 757 CB GLU A 49 6.475 -1.467 -10.494 1.00 0.00 C ATOM 758 CG GLU A 49 7.532 -2.464 -10.930 1.00 0.00 C ATOM 759 CD GLU A 49 7.777 -2.437 -12.421 1.00 0.00 C ATOM 760 OE1 GLU A 49 8.471 -1.510 -12.891 1.00 0.00 O ATOM 761 OE2 GLU A 49 7.285 -3.335 -13.131 1.00 0.00 O ATOM 0 H GLU A 49 5.748 -3.101 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 49 7.525 -0.853 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.490 -1.853 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.610 -0.538 -11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.465 -2.250 -10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.224 -3.467 -10.634 1.00 0.00 H new ATOM 768 N LEU A 50 4.356 -0.393 -8.217 1.00 0.00 N ATOM 769 CA LEU A 50 3.383 0.587 -7.748 1.00 0.00 C ATOM 770 C LEU A 50 3.952 1.323 -6.553 1.00 0.00 C ATOM 771 O LEU A 50 3.946 2.547 -6.508 1.00 0.00 O ATOM 772 CB LEU A 50 2.076 -0.099 -7.341 1.00 0.00 C ATOM 773 CG LEU A 50 0.862 0.823 -7.197 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.421 1.332 -8.560 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.275 0.092 -6.502 1.00 0.00 C ATOM 0 H LEU A 50 4.031 -1.359 -8.174 1.00 0.00 H new ATOM 0 HA LEU A 50 3.174 1.287 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.843 -0.865 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.235 -0.611 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 50 1.143 1.681 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.443 1.986 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.237 1.888 -9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.152 0.487 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.132 0.759 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.559 -0.781 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.049 -0.227 -5.511 1.00 0.00 H new ATOM 787 N ALA A 51 4.459 0.557 -5.594 1.00 0.00 N ATOM 788 CA ALA A 51 5.087 1.121 -4.408 1.00 0.00 C ATOM 789 C ALA A 51 6.320 1.934 -4.786 1.00 0.00 C ATOM 790 O ALA A 51 6.554 3.007 -4.240 1.00 0.00 O ATOM 791 CB ALA A 51 5.451 0.017 -3.426 1.00 0.00 C ATOM 0 H ALA A 51 4.446 -0.463 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 51 4.375 1.791 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.920 0.454 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.549 -0.518 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.146 -0.677 -3.900 1.00 0.00 H new ATOM 797 N ALA A 52 7.097 1.421 -5.736 1.00 0.00 N ATOM 798 CA ALA A 52 8.289 2.116 -6.213 1.00 0.00 C ATOM 799 C ALA A 52 7.920 3.452 -6.859 1.00 0.00 C ATOM 800 O ALA A 52 8.536 4.482 -6.578 1.00 0.00 O ATOM 801 CB ALA A 52 9.052 1.240 -7.198 1.00 0.00 C ATOM 0 H ALA A 52 6.922 0.525 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 52 8.931 2.321 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.938 1.770 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.352 0.315 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.412 1.006 -8.049 1.00 0.00 H new ATOM 807 N ARG A 53 6.906 3.428 -7.711 1.00 0.00 N ATOM 808 CA ARG A 53 6.443 4.615 -8.393 1.00 0.00 C ATOM 809 C ARG A 53 5.745 5.574 -7.429 1.00 0.00 C ATOM 810 O ARG A 53 5.886 6.790 -7.539 1.00 0.00 O ATOM 811 CB ARG A 53 5.495 4.199 -9.514 1.00 0.00 C ATOM 812 CG ARG A 53 6.192 3.809 -10.809 1.00 0.00 C ATOM 813 CD ARG A 53 7.006 4.962 -11.379 1.00 0.00 C ATOM 814 NE ARG A 53 7.590 4.626 -12.678 1.00 0.00 N ATOM 815 CZ ARG A 53 8.385 5.434 -13.377 1.00 0.00 C ATOM 816 NH1 ARG A 53 8.737 6.621 -12.895 1.00 0.00 N ATOM 817 NH2 ARG A 53 8.848 5.041 -14.555 1.00 0.00 N ATOM 0 H ARG A 53 6.385 2.583 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 53 7.301 5.143 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.893 3.358 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.808 5.021 -9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.846 2.956 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.449 3.491 -11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.369 5.840 -11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.800 5.226 -10.681 1.00 0.00 H new ATOM 0 HE ARG A 53 7.374 3.712 -13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.398 6.921 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.346 7.232 -13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.595 4.124 -14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.457 5.656 -15.094 1.00 0.00 H new ATOM 831 N TRP A 54 4.996 5.015 -6.485 1.00 0.00 N ATOM 832 CA TRP A 54 4.301 5.809 -5.481 1.00 0.00 C ATOM 833 C TRP A 54 5.309 6.495 -4.564 1.00 0.00 C ATOM 834 O TRP A 54 5.165 7.672 -4.241 1.00 0.00 O ATOM 835 CB TRP A 54 3.353 4.923 -4.667 1.00 0.00 C ATOM 836 CG TRP A 54 2.523 5.678 -3.679 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.365 6.353 -3.933 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.784 5.832 -2.281 1.00 0.00 C ATOM 839 NE1 TRP A 54 0.891 6.923 -2.778 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.743 6.615 -1.748 1.00 0.00 C ATOM 841 CE3 TRP A 54 3.797 5.379 -1.426 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.692 6.961 -0.400 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.743 5.723 -0.090 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.697 6.504 0.413 1.00 0.00 C ATOM 0 H TRP A 54 4.855 4.009 -6.395 1.00 0.00 H new ATOM 0 HA TRP A 54 3.711 6.575 -5.985 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.692 4.389 -5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.938 4.171 -4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.891 6.428 -4.901 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.043 7.484 -2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.606 4.772 -1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.889 7.568 -0.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.521 5.384 0.578 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.681 6.752 1.464 1.00 0.00 H new ATOM 855 N ALA A 55 6.336 5.752 -4.162 1.00 0.00 N ATOM 856 CA ALA A 55 7.407 6.301 -3.345 1.00 0.00 C ATOM 857 C ALA A 55 8.075 7.461 -4.063 1.00 0.00 C ATOM 858 O ALA A 55 8.285 8.524 -3.483 1.00 0.00 O ATOM 859 CB ALA A 55 8.426 5.221 -3.006 1.00 0.00 C ATOM 0 H ALA A 55 6.447 4.764 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 55 6.979 6.672 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.220 5.649 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.936 4.419 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.852 4.821 -3.926 1.00 0.00 H new ATOM 865 N GLU A 56 8.382 7.253 -5.339 1.00 0.00 N ATOM 866 CA GLU A 56 8.962 8.257 -6.174 1.00 0.00 C ATOM 867 C GLU A 56 8.069 9.494 -6.239 1.00 0.00 C ATOM 868 O GLU A 56 8.535 10.620 -6.055 1.00 0.00 O ATOM 869 CB GLU A 56 9.145 7.653 -7.558 1.00 0.00 C ATOM 870 CG GLU A 56 9.846 8.578 -8.492 1.00 0.00 C ATOM 871 CD GLU A 56 9.933 8.051 -9.911 1.00 0.00 C ATOM 872 OE1 GLU A 56 10.926 7.368 -10.239 1.00 0.00 O ATOM 873 OE2 GLU A 56 9.019 8.338 -10.713 1.00 0.00 O ATOM 0 H GLU A 56 8.226 6.364 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 56 9.922 8.576 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.712 6.726 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.170 7.394 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.327 9.536 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.853 8.764 -8.119 1.00 0.00 H new ATOM 880 N GLY A 57 6.783 9.273 -6.486 1.00 0.00 N ATOM 881 CA GLY A 57 5.835 10.366 -6.559 1.00 0.00 C ATOM 882 C GLY A 57 5.713 11.116 -5.246 1.00 0.00 C ATOM 883 O GLY A 57 5.651 12.346 -5.228 1.00 0.00 O ATOM 0 H GLY A 57 6.379 8.349 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.143 11.059 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.858 9.977 -6.844 1.00 0.00 H new ATOM 887 N ALA A 58 5.684 10.373 -4.146 1.00 0.00 N ATOM 888 CA ALA A 58 5.602 10.969 -2.818 1.00 0.00 C ATOM 889 C ALA A 58 6.858 11.776 -2.505 1.00 0.00 C ATOM 890 O ALA A 58 6.773 12.905 -2.022 1.00 0.00 O ATOM 891 CB ALA A 58 5.379 9.891 -1.769 1.00 0.00 C ATOM 0 H ALA A 58 5.716 9.354 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 58 4.752 11.651 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.320 10.350 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.448 9.364 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.209 9.185 -1.791 1.00 0.00 H new ATOM 897 N LEU A 59 8.022 11.200 -2.797 1.00 0.00 N ATOM 898 CA LEU A 59 9.287 11.877 -2.588 1.00 0.00 C ATOM 899 C LEU A 59 9.362 13.148 -3.424 1.00 0.00 C ATOM 900 O LEU A 59 9.853 14.180 -2.966 1.00 0.00 O ATOM 901 CB LEU A 59 10.434 10.943 -2.950 1.00 0.00 C ATOM 902 CG LEU A 59 10.665 9.782 -1.980 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.792 8.891 -2.478 1.00 0.00 C ATOM 904 CD2 LEU A 59 10.974 10.299 -0.584 1.00 0.00 C ATOM 0 H LEU A 59 8.109 10.259 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 59 9.366 12.155 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.247 10.533 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.351 11.529 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 59 9.750 9.191 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.944 8.070 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.532 8.489 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.709 9.475 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.135 9.457 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.873 10.915 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.137 10.897 -0.224 1.00 0.00 H new ATOM 916 N GLU A 60 8.872 13.060 -4.653 1.00 0.00 N ATOM 917 CA GLU A 60 8.798 14.209 -5.542 1.00 0.00 C ATOM 918 C GLU A 60 7.910 15.294 -4.924 1.00 0.00 C ATOM 919 O GLU A 60 8.289 16.467 -4.856 1.00 0.00 O ATOM 920 CB GLU A 60 8.231 13.771 -6.897 1.00 0.00 C ATOM 921 CG GLU A 60 8.376 14.807 -7.997 1.00 0.00 C ATOM 922 CD GLU A 60 9.818 15.026 -8.409 1.00 0.00 C ATOM 923 OE1 GLU A 60 10.295 14.322 -9.322 1.00 0.00 O ATOM 924 OE2 GLU A 60 10.475 15.915 -7.835 1.00 0.00 O ATOM 0 H GLU A 60 8.517 12.195 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 60 9.798 14.618 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.732 12.854 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.175 13.532 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.798 14.492 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.952 15.752 -7.658 1.00 0.00 H new ATOM 931 N LEU A 61 6.740 14.874 -4.445 1.00 0.00 N ATOM 932 CA LEU A 61 5.750 15.785 -3.873 1.00 0.00 C ATOM 933 C LEU A 61 6.284 16.498 -2.631 1.00 0.00 C ATOM 934 O LEU A 61 6.209 17.723 -2.536 1.00 0.00 O ATOM 935 CB LEU A 61 4.471 15.016 -3.520 1.00 0.00 C ATOM 936 CG LEU A 61 3.334 15.863 -2.938 1.00 0.00 C ATOM 937 CD1 LEU A 61 2.841 16.873 -3.963 1.00 0.00 C ATOM 938 CD2 LEU A 61 2.196 14.971 -2.473 1.00 0.00 C ATOM 0 H LEU A 61 6.452 13.895 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 61 5.528 16.543 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.107 14.518 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.723 14.235 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 61 3.716 16.411 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.034 17.465 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.661 17.532 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.474 16.347 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.396 15.587 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.815 14.397 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.559 14.288 -1.705 1.00 0.00 H new ATOM 950 N ILE A 62 6.832 15.735 -1.687 1.00 0.00 N ATOM 951 CA ILE A 62 7.302 16.308 -0.424 1.00 0.00 C ATOM 952 C ILE A 62 8.530 17.194 -0.626 1.00 0.00 C ATOM 953 O ILE A 62 8.821 18.063 0.197 1.00 0.00 O ATOM 954 CB ILE A 62 7.633 15.224 0.631 1.00 0.00 C ATOM 955 CG1 ILE A 62 8.750 14.300 0.135 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.389 14.422 0.980 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.202 13.281 1.162 1.00 0.00 C ATOM 0 H ILE A 62 6.962 14.727 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 62 6.476 16.914 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 62 7.985 15.725 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.406 13.776 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.605 14.907 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.641 13.665 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.628 15.089 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.005 13.936 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.994 12.664 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.578 13.797 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.360 12.648 1.442 1.00 0.00 H new ATOM 969 N LYS A 63 9.246 16.978 -1.720 1.00 0.00 N ATOM 970 CA LYS A 63 10.431 17.743 -2.021 1.00 0.00 C ATOM 971 C LYS A 63 10.034 19.094 -2.611 1.00 0.00 C ATOM 972 O LYS A 63 10.587 20.131 -2.244 1.00 0.00 O ATOM 973 CB LYS A 63 11.303 16.921 -2.979 1.00 0.00 C ATOM 974 CG LYS A 63 12.598 17.582 -3.415 1.00 0.00 C ATOM 975 CD LYS A 63 12.378 18.556 -4.557 1.00 0.00 C ATOM 976 CE LYS A 63 11.688 17.904 -5.747 1.00 0.00 C ATOM 977 NZ LYS A 63 12.444 16.740 -6.284 1.00 0.00 N ATOM 0 H LYS A 63 9.017 16.269 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 63 11.008 17.947 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.543 15.972 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.716 16.689 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.040 18.108 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.311 16.817 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.777 19.395 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.338 18.963 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.691 17.578 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.559 18.644 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.913 16.314 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.374 17.058 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.574 16.034 -5.532 1.00 0.00 H new ATOM 991 N VAL A 64 9.062 19.077 -3.518 1.00 0.00 N ATOM 992 CA VAL A 64 8.566 20.307 -4.124 1.00 0.00 C ATOM 993 C VAL A 64 7.724 21.091 -3.126 1.00 0.00 C ATOM 994 O VAL A 64 7.962 22.277 -2.890 1.00 0.00 O ATOM 995 CB VAL A 64 7.723 20.024 -5.386 1.00 0.00 C ATOM 996 CG1 VAL A 64 7.146 21.313 -5.951 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.557 19.315 -6.438 1.00 0.00 C ATOM 0 H VAL A 64 8.604 18.228 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 64 9.437 20.895 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 64 6.896 19.373 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.556 21.089 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.510 21.786 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.958 21.990 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.945 19.124 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.405 19.942 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.921 18.369 -6.037 1.00 0.00 H new ATOM 1007 N ARG A 65 6.752 20.418 -2.532 1.00 0.00 N ATOM 1008 CA ARG A 65 5.843 21.061 -1.599 1.00 0.00 C ATOM 1009 C ARG A 65 6.356 20.959 -0.166 1.00 0.00 C ATOM 1010 O ARG A 65 7.078 21.840 0.305 1.00 0.00 O ATOM 1011 CB ARG A 65 4.443 20.446 -1.695 1.00 0.00 C ATOM 1012 CG ARG A 65 3.764 20.651 -3.041 1.00 0.00 C ATOM 1013 CD ARG A 65 3.645 22.125 -3.380 1.00 0.00 C ATOM 1014 NE ARG A 65 2.677 22.370 -4.445 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.085 23.547 -4.646 1.00 0.00 C ATOM 1016 NH1 ARG A 65 2.411 24.594 -3.892 1.00 0.00 N ATOM 1017 NH2 ARG A 65 1.181 23.676 -5.599 1.00 0.00 N ATOM 0 H ARG A 65 6.573 19.425 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 65 5.787 22.115 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.513 19.377 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.815 20.876 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.333 20.142 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.772 20.199 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.349 22.678 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.620 22.506 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 65 2.441 21.599 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.114 24.496 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.958 25.495 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.936 22.875 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.728 24.577 -5.753 1.00 0.00 H new ATOM 1031 N ARG A 66 5.992 19.871 0.509 1.00 0.00 N ATOM 1032 CA ARG A 66 6.299 19.686 1.925 1.00 0.00 C ATOM 1033 C ARG A 66 5.661 18.401 2.427 1.00 0.00 C ATOM 1034 O ARG A 66 4.689 17.930 1.843 1.00 0.00 O ATOM 1035 CB ARG A 66 5.751 20.860 2.745 1.00 0.00 C ATOM 1036 CG ARG A 66 4.259 21.082 2.545 1.00 0.00 C ATOM 1037 CD ARG A 66 3.755 22.299 3.295 1.00 0.00 C ATOM 1038 NE ARG A 66 2.379 22.615 2.925 1.00 0.00 N ATOM 1039 CZ ARG A 66 1.601 23.467 3.584 1.00 0.00 C ATOM 1040 NH1 ARG A 66 2.032 24.060 4.688 1.00 0.00 N ATOM 1041 NH2 ARG A 66 0.385 23.721 3.137 1.00 0.00 N ATOM 0 H ARG A 66 5.478 19.095 0.091 1.00 0.00 H new ATOM 0 HA ARG A 66 7.382 19.635 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.947 20.680 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.287 21.769 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.051 21.201 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.714 20.199 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.813 22.118 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.397 23.153 3.081 1.00 0.00 H new ATOM 0 HE ARG A 66 1.988 22.150 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.969 23.864 5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.427 24.712 5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.047 23.264 2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.217 24.374 3.639 1.00 0.00 H new ATOM 1055 N PRO A 67 6.207 17.808 3.496 1.00 0.00 N ATOM 1056 CA PRO A 67 5.559 16.711 4.206 1.00 0.00 C ATOM 1057 C PRO A 67 4.506 17.251 5.173 1.00 0.00 C ATOM 1058 O PRO A 67 4.843 17.860 6.192 1.00 0.00 O ATOM 1059 CB PRO A 67 6.709 16.039 4.980 1.00 0.00 C ATOM 1060 CG PRO A 67 7.951 16.796 4.624 1.00 0.00 C ATOM 1061 CD PRO A 67 7.503 18.128 4.094 1.00 0.00 C ATOM 0 HA PRO A 67 5.042 16.022 3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.527 16.073 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.801 14.988 4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.592 16.922 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.533 16.257 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.412 18.871 4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.202 18.529 3.359 1.00 0.00 H new ATOM 1069 N LYS A 68 3.239 17.057 4.841 1.00 0.00 N ATOM 1070 CA LYS A 68 2.148 17.617 5.629 1.00 0.00 C ATOM 1071 C LYS A 68 1.768 16.648 6.750 1.00 0.00 C ATOM 1072 O LYS A 68 1.471 17.064 7.872 1.00 0.00 O ATOM 1073 CB LYS A 68 0.954 17.916 4.711 1.00 0.00 C ATOM 1074 CG LYS A 68 0.064 19.065 5.170 1.00 0.00 C ATOM 1075 CD LYS A 68 -0.957 18.622 6.202 1.00 0.00 C ATOM 1076 CE LYS A 68 -1.962 19.727 6.492 1.00 0.00 C ATOM 1077 NZ LYS A 68 -3.057 19.274 7.390 1.00 0.00 N ATOM 0 H LYS A 68 2.939 16.515 4.030 1.00 0.00 H new ATOM 0 HA LYS A 68 2.464 18.553 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.329 18.143 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.345 17.016 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.684 19.857 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.453 19.489 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.480 17.736 5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.448 18.339 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.447 20.572 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.388 20.082 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.852 19.942 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.377 18.328 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.709 19.235 8.369 1.00 0.00 H new ATOM 1091 N TYR A 69 1.796 15.358 6.440 1.00 0.00 N ATOM 1092 CA TYR A 69 1.567 14.318 7.439 1.00 0.00 C ATOM 1093 C TYR A 69 2.673 13.273 7.371 1.00 0.00 C ATOM 1094 O TYR A 69 3.323 12.960 8.374 1.00 0.00 O ATOM 1095 CB TYR A 69 0.236 13.597 7.212 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.981 14.483 7.125 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.640 14.916 8.266 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.491 14.857 5.891 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.772 15.702 8.177 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.616 15.644 5.794 1.00 0.00 C ATOM 1101 CZ TYR A 69 -3.255 16.063 6.937 1.00 0.00 C ATOM 1102 OH TYR A 69 -4.380 16.850 6.834 1.00 0.00 O ATOM 0 H TYR A 69 1.976 15.004 5.500 1.00 0.00 H new ATOM 0 HA TYR A 69 1.552 14.811 8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.309 13.020 6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.087 12.885 8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.262 14.634 9.238 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.997 14.525 4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.276 16.032 9.073 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.995 15.931 4.824 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.811 16.693 5.968 1.00 0.00 H new ATOM 1112 N VAL A 70 2.866 12.734 6.172 1.00 0.00 N ATOM 1113 CA VAL A 70 3.781 11.626 5.952 1.00 0.00 C ATOM 1114 C VAL A 70 5.234 12.031 6.186 1.00 0.00 C ATOM 1115 O VAL A 70 5.629 13.174 5.955 1.00 0.00 O ATOM 1116 CB VAL A 70 3.625 11.051 4.524 1.00 0.00 C ATOM 1117 CG1 VAL A 70 4.104 12.044 3.471 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.357 9.724 4.385 1.00 0.00 C ATOM 0 H VAL A 70 2.392 13.054 5.328 1.00 0.00 H new ATOM 0 HA VAL A 70 3.521 10.856 6.678 1.00 0.00 H new ATOM 0 HB VAL A 70 2.563 10.872 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.981 11.610 2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.518 12.960 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.156 12.273 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.230 9.343 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.418 9.871 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.948 9.006 5.096 1.00 0.00 H new ATOM 1128 N HIS A 71 6.014 11.083 6.676 1.00 0.00 N ATOM 1129 CA HIS A 71 7.440 11.277 6.854 1.00 0.00 C ATOM 1130 C HIS A 71 8.190 10.513 5.776 1.00 0.00 C ATOM 1131 O HIS A 71 7.677 9.532 5.237 1.00 0.00 O ATOM 1132 CB HIS A 71 7.884 10.804 8.241 1.00 0.00 C ATOM 1133 CG HIS A 71 7.271 11.577 9.365 1.00 0.00 C ATOM 1134 ND1 HIS A 71 5.993 11.357 9.818 1.00 0.00 N ATOM 1135 CD2 HIS A 71 7.767 12.581 10.121 1.00 0.00 C ATOM 1136 CE1 HIS A 71 5.728 12.189 10.803 1.00 0.00 C ATOM 1137 NE2 HIS A 71 6.789 12.945 11.012 1.00 0.00 N ATOM 0 H HIS A 71 5.678 10.163 6.960 1.00 0.00 H new ATOM 0 HA HIS A 71 7.665 12.340 6.771 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.629 9.750 8.355 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.969 10.878 8.310 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.349 10.657 9.448 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.752 13.017 10.039 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.798 12.244 11.349 1.00 0.00 H new ATOM 1146 N LYS A 72 9.399 10.957 5.470 1.00 0.00 N ATOM 1147 CA LYS A 72 10.206 10.336 4.428 1.00 0.00 C ATOM 1148 C LYS A 72 10.497 8.879 4.794 1.00 0.00 C ATOM 1149 O LYS A 72 10.471 7.992 3.936 1.00 0.00 O ATOM 1150 CB LYS A 72 11.500 11.144 4.250 1.00 0.00 C ATOM 1151 CG LYS A 72 12.323 10.796 3.016 1.00 0.00 C ATOM 1152 CD LYS A 72 13.148 9.534 3.209 1.00 0.00 C ATOM 1153 CE LYS A 72 14.193 9.384 2.117 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.113 10.552 2.079 1.00 0.00 N ATOM 0 H LYS A 72 9.846 11.750 5.931 1.00 0.00 H new ATOM 0 HA LYS A 72 9.666 10.336 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.244 12.203 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.122 11.001 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.657 10.665 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.986 11.628 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.638 9.563 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.491 8.664 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.767 8.473 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.699 9.277 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.021 10.265 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.690 11.308 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.272 10.900 3.046 1.00 0.00 H new ATOM 1168 N GLU A 73 10.747 8.646 6.080 1.00 0.00 N ATOM 1169 CA GLU A 73 11.015 7.305 6.593 1.00 0.00 C ATOM 1170 C GLU A 73 9.836 6.381 6.307 1.00 0.00 C ATOM 1171 O GLU A 73 10.017 5.237 5.889 1.00 0.00 O ATOM 1172 CB GLU A 73 11.273 7.334 8.103 1.00 0.00 C ATOM 1173 CG GLU A 73 12.179 8.464 8.563 1.00 0.00 C ATOM 1174 CD GLU A 73 11.420 9.760 8.791 1.00 0.00 C ATOM 1175 OE1 GLU A 73 10.844 9.933 9.883 1.00 0.00 O ATOM 1176 OE2 GLU A 73 11.376 10.603 7.868 1.00 0.00 O ATOM 0 H GLU A 73 10.770 9.376 6.792 1.00 0.00 H new ATOM 0 HA GLU A 73 11.906 6.931 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.318 7.417 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.717 6.384 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.679 8.172 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.957 8.628 7.818 1.00 0.00 H new ATOM 1183 N GLN A 74 8.628 6.898 6.523 1.00 0.00 N ATOM 1184 CA GLN A 74 7.407 6.131 6.317 1.00 0.00 C ATOM 1185 C GLN A 74 7.312 5.626 4.887 1.00 0.00 C ATOM 1186 O GLN A 74 6.993 4.467 4.657 1.00 0.00 O ATOM 1187 CB GLN A 74 6.180 6.986 6.634 1.00 0.00 C ATOM 1188 CG GLN A 74 5.939 7.211 8.116 1.00 0.00 C ATOM 1189 CD GLN A 74 4.717 8.074 8.369 1.00 0.00 C ATOM 1190 OE1 GLN A 74 4.817 9.295 8.469 1.00 0.00 O ATOM 1191 NE2 GLN A 74 3.551 7.451 8.439 1.00 0.00 N ATOM 0 H GLN A 74 8.471 7.854 6.843 1.00 0.00 H new ATOM 0 HA GLN A 74 7.438 5.274 6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.290 7.954 6.145 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.299 6.510 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.813 6.249 8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.815 7.685 8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.509 6.436 8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.694 7.986 8.581 1.00 0.00 H new ATOM 1200 N ILE A 75 7.611 6.497 3.935 1.00 0.00 N ATOM 1201 CA ILE A 75 7.472 6.167 2.520 1.00 0.00 C ATOM 1202 C ILE A 75 8.321 4.952 2.145 1.00 0.00 C ATOM 1203 O ILE A 75 7.877 4.079 1.396 1.00 0.00 O ATOM 1204 CB ILE A 75 7.857 7.368 1.633 1.00 0.00 C ATOM 1205 CG1 ILE A 75 7.032 8.596 2.034 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.647 7.038 0.160 1.00 0.00 C ATOM 1207 CD1 ILE A 75 7.396 9.852 1.275 1.00 0.00 C ATOM 0 H ILE A 75 7.953 7.441 4.115 1.00 0.00 H new ATOM 0 HA ILE A 75 6.424 5.922 2.347 1.00 0.00 H new ATOM 0 HB ILE A 75 8.914 7.590 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.976 8.380 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.163 8.777 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.924 7.899 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.267 6.185 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.599 6.794 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.769 10.677 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.443 10.095 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.238 9.691 0.209 1.00 0.00 H new ATOM 1219 N GLU A 76 9.529 4.886 2.690 1.00 0.00 N ATOM 1220 CA GLU A 76 10.424 3.771 2.411 1.00 0.00 C ATOM 1221 C GLU A 76 9.981 2.531 3.184 1.00 0.00 C ATOM 1222 O GLU A 76 10.033 1.410 2.675 1.00 0.00 O ATOM 1223 CB GLU A 76 11.868 4.136 2.770 1.00 0.00 C ATOM 1224 CG GLU A 76 12.349 5.424 2.118 1.00 0.00 C ATOM 1225 CD GLU A 76 13.820 5.695 2.367 1.00 0.00 C ATOM 1226 OE1 GLU A 76 14.276 5.542 3.519 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.525 6.079 1.411 1.00 0.00 O ATOM 0 H GLU A 76 9.910 5.588 3.325 1.00 0.00 H new ATOM 0 HA GLU A 76 10.381 3.552 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.951 4.233 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.526 3.320 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.171 5.371 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.761 6.260 2.498 1.00 0.00 H new ATOM 1234 N ALA A 77 9.520 2.750 4.409 1.00 0.00 N ATOM 1235 CA ALA A 77 9.067 1.666 5.268 1.00 0.00 C ATOM 1236 C ALA A 77 7.798 1.014 4.723 1.00 0.00 C ATOM 1237 O ALA A 77 7.626 -0.202 4.826 1.00 0.00 O ATOM 1238 CB ALA A 77 8.831 2.180 6.678 1.00 0.00 C ATOM 0 H ALA A 77 9.450 3.676 4.831 1.00 0.00 H new ATOM 0 HA ALA A 77 9.848 0.906 5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.492 1.361 7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.760 2.588 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.071 2.961 6.658 1.00 0.00 H new ATOM 1244 N VAL A 78 6.913 1.822 4.139 1.00 0.00 N ATOM 1245 CA VAL A 78 5.651 1.315 3.610 1.00 0.00 C ATOM 1246 C VAL A 78 5.890 0.283 2.517 1.00 0.00 C ATOM 1247 O VAL A 78 5.213 -0.735 2.482 1.00 0.00 O ATOM 1248 CB VAL A 78 4.745 2.453 3.073 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.560 1.900 2.287 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.246 3.314 4.222 1.00 0.00 C ATOM 0 H VAL A 78 7.048 2.826 4.021 1.00 0.00 H new ATOM 0 HA VAL A 78 5.133 0.837 4.441 1.00 0.00 H new ATOM 0 HB VAL A 78 5.344 3.063 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.946 2.725 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.925 1.320 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.961 1.259 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.611 4.109 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.672 2.699 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.096 3.752 4.744 1.00 0.00 H new ATOM 1260 N LYS A 79 6.866 0.528 1.648 1.00 0.00 N ATOM 1261 CA LYS A 79 7.182 -0.422 0.584 1.00 0.00 C ATOM 1262 C LYS A 79 7.546 -1.780 1.180 1.00 0.00 C ATOM 1263 O LYS A 79 7.013 -2.813 0.777 1.00 0.00 O ATOM 1264 CB LYS A 79 8.337 0.085 -0.288 1.00 0.00 C ATOM 1265 CG LYS A 79 8.688 -0.861 -1.429 1.00 0.00 C ATOM 1266 CD LYS A 79 9.917 -0.401 -2.196 1.00 0.00 C ATOM 1267 CE LYS A 79 10.262 -1.370 -3.318 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.513 -0.988 -4.025 1.00 0.00 N ATOM 0 H LYS A 79 7.447 1.366 1.658 1.00 0.00 H new ATOM 0 HA LYS A 79 6.297 -0.527 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.072 1.059 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.218 0.233 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.863 -1.860 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.842 -0.934 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.739 0.591 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.763 -0.314 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.370 -2.374 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.439 -1.404 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.709 -1.676 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.402 -0.041 -4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.305 -0.980 -3.350 1.00 0.00 H new ATOM 1282 N ASP A 80 8.445 -1.755 2.159 1.00 0.00 N ATOM 1283 CA ASP A 80 8.891 -2.968 2.840 1.00 0.00 C ATOM 1284 C ASP A 80 7.721 -3.680 3.510 1.00 0.00 C ATOM 1285 O ASP A 80 7.505 -4.875 3.306 1.00 0.00 O ATOM 1286 CB ASP A 80 9.952 -2.610 3.888 1.00 0.00 C ATOM 1287 CG ASP A 80 10.412 -3.801 4.704 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.326 -4.522 4.245 1.00 0.00 O ATOM 1289 OD2 ASP A 80 9.888 -4.007 5.820 1.00 0.00 O ATOM 0 H ASP A 80 8.883 -0.900 2.502 1.00 0.00 H new ATOM 0 HA ASP A 80 9.321 -3.642 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.813 -2.167 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.549 -1.852 4.559 1.00 0.00 H new ATOM 1294 N ASN A 81 6.959 -2.924 4.282 1.00 0.00 N ATOM 1295 CA ASN A 81 5.848 -3.469 5.053 1.00 0.00 C ATOM 1296 C ASN A 81 4.720 -3.969 4.154 1.00 0.00 C ATOM 1297 O ASN A 81 4.133 -5.019 4.414 1.00 0.00 O ATOM 1298 CB ASN A 81 5.323 -2.409 6.025 1.00 0.00 C ATOM 1299 CG ASN A 81 6.173 -2.305 7.277 1.00 0.00 C ATOM 1300 OD1 ASN A 81 5.927 -2.992 8.268 1.00 0.00 O ATOM 1301 ND2 ASN A 81 7.187 -1.451 7.244 1.00 0.00 N ATOM 0 H ASN A 81 7.090 -1.919 4.394 1.00 0.00 H new ATOM 0 HA ASN A 81 6.219 -4.327 5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.297 -1.441 5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.297 -2.651 6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.793 -1.347 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.361 -0.898 6.405 1.00 0.00 H new ATOM 1308 N PHE A 82 4.435 -3.225 3.096 1.00 0.00 N ATOM 1309 CA PHE A 82 3.340 -3.558 2.192 1.00 0.00 C ATOM 1310 C PHE A 82 3.637 -4.849 1.442 1.00 0.00 C ATOM 1311 O PHE A 82 2.763 -5.703 1.291 1.00 0.00 O ATOM 1312 CB PHE A 82 3.098 -2.415 1.201 1.00 0.00 C ATOM 1313 CG PHE A 82 1.858 -2.584 0.371 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.604 -2.492 0.951 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.948 -2.835 -0.988 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.538 -2.648 0.192 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.810 -2.993 -1.752 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.435 -2.898 -1.161 1.00 0.00 C ATOM 0 H PHE A 82 4.949 -2.382 2.840 1.00 0.00 H new ATOM 0 HA PHE A 82 2.438 -3.703 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.030 -1.477 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.959 -2.333 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.519 -2.296 2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.919 -2.908 -1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.510 -2.575 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.892 -3.191 -2.811 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.327 -3.019 -1.758 1.00 0.00 H new ATOM 1328 N LEU A 83 4.872 -4.995 0.984 1.00 0.00 N ATOM 1329 CA LEU A 83 5.282 -6.202 0.281 1.00 0.00 C ATOM 1330 C LEU A 83 5.190 -7.418 1.200 1.00 0.00 C ATOM 1331 O LEU A 83 4.698 -8.473 0.795 1.00 0.00 O ATOM 1332 CB LEU A 83 6.696 -6.046 -0.282 1.00 0.00 C ATOM 1333 CG LEU A 83 6.812 -5.098 -1.483 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.259 -4.976 -1.927 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.940 -5.583 -2.632 1.00 0.00 C ATOM 0 H LEU A 83 5.606 -4.294 1.086 1.00 0.00 H new ATOM 0 HA LEU A 83 4.602 -6.359 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.350 -5.685 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.065 -7.029 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 83 6.462 -4.112 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.322 -4.300 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.859 -4.583 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.636 -5.958 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.035 -4.898 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.260 -6.580 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.900 -5.619 -2.309 1.00 0.00 H new ATOM 1347 N GLU A 84 5.642 -7.259 2.442 1.00 0.00 N ATOM 1348 CA GLU A 84 5.520 -8.318 3.437 1.00 0.00 C ATOM 1349 C GLU A 84 4.049 -8.641 3.692 1.00 0.00 C ATOM 1350 O GLU A 84 3.680 -9.804 3.861 1.00 0.00 O ATOM 1351 CB GLU A 84 6.191 -7.910 4.750 1.00 0.00 C ATOM 1352 CG GLU A 84 7.702 -7.765 4.662 1.00 0.00 C ATOM 1353 CD GLU A 84 8.393 -9.051 4.253 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.338 -10.033 5.022 1.00 0.00 O ATOM 1355 OE2 GLU A 84 9.013 -9.077 3.172 1.00 0.00 O ATOM 0 H GLU A 84 6.094 -6.410 2.781 1.00 0.00 H new ATOM 0 HA GLU A 84 6.020 -9.205 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.766 -6.963 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.953 -8.652 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.946 -6.982 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.088 -7.442 5.629 1.00 0.00 H new ATOM 1362 N LEU A 85 3.222 -7.601 3.722 1.00 0.00 N ATOM 1363 CA LEU A 85 1.786 -7.748 3.928 1.00 0.00 C ATOM 1364 C LEU A 85 1.183 -8.608 2.824 1.00 0.00 C ATOM 1365 O LEU A 85 0.522 -9.605 3.098 1.00 0.00 O ATOM 1366 CB LEU A 85 1.124 -6.360 3.965 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.343 -6.313 4.424 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.704 -4.910 4.883 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.290 -6.740 3.311 1.00 0.00 C ATOM 0 H LEU A 85 3.528 -6.635 3.604 1.00 0.00 H new ATOM 0 HA LEU A 85 1.606 -8.245 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.709 -5.720 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.183 -5.927 2.967 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.451 -7.011 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.745 -4.889 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.061 -4.622 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.566 -4.211 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.318 -6.695 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.174 -6.071 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.057 -7.760 3.006 1.00 0.00 H new ATOM 1381 N VAL A 86 1.441 -8.225 1.576 1.00 0.00 N ATOM 1382 CA VAL A 86 0.903 -8.946 0.423 1.00 0.00 C ATOM 1383 C VAL A 86 1.403 -10.389 0.398 1.00 0.00 C ATOM 1384 O VAL A 86 0.626 -11.321 0.184 1.00 0.00 O ATOM 1385 CB VAL A 86 1.274 -8.249 -0.908 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.741 -9.033 -2.102 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.747 -6.823 -0.927 1.00 0.00 C ATOM 0 H VAL A 86 2.019 -7.420 1.336 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.182 -8.944 0.525 1.00 0.00 H new ATOM 0 HB VAL A 86 2.361 -8.218 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.015 -8.522 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.171 -10.035 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.345 -9.104 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.017 -6.348 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.338 -6.835 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.184 -6.263 -0.100 1.00 0.00 H new ATOM 1397 N LEU A 87 2.698 -10.565 0.634 1.00 0.00 N ATOM 1398 CA LEU A 87 3.311 -11.889 0.625 1.00 0.00 C ATOM 1399 C LEU A 87 2.675 -12.799 1.671 1.00 0.00 C ATOM 1400 O LEU A 87 2.346 -13.955 1.397 1.00 0.00 O ATOM 1401 CB LEU A 87 4.814 -11.768 0.893 1.00 0.00 C ATOM 1402 CG LEU A 87 5.594 -13.084 0.890 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.601 -13.700 -0.501 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.015 -12.859 1.388 1.00 0.00 C ATOM 0 H LEU A 87 3.347 -9.804 0.835 1.00 0.00 H new ATOM 0 HA LEU A 87 3.147 -12.331 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.247 -11.108 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.955 -11.285 1.860 1.00 0.00 H new ATOM 0 HG LEU A 87 5.099 -13.781 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.161 -14.635 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.577 -13.897 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.071 -13.010 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.557 -13.804 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.520 -12.146 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.986 -12.466 2.404 1.00 0.00 H new ATOM 1416 N GLN A 88 2.485 -12.267 2.867 1.00 0.00 N ATOM 1417 CA GLN A 88 1.982 -13.058 3.978 1.00 0.00 C ATOM 1418 C GLN A 88 0.461 -12.983 4.071 1.00 0.00 C ATOM 1419 O GLN A 88 -0.132 -13.501 5.017 1.00 0.00 O ATOM 1420 CB GLN A 88 2.619 -12.581 5.279 1.00 0.00 C ATOM 1421 CG GLN A 88 4.135 -12.709 5.283 1.00 0.00 C ATOM 1422 CD GLN A 88 4.778 -12.055 6.487 1.00 0.00 C ATOM 1423 OE1 GLN A 88 4.978 -12.686 7.522 1.00 0.00 O ATOM 1424 NE2 GLN A 88 5.114 -10.785 6.353 1.00 0.00 N ATOM 0 H GLN A 88 2.672 -11.290 3.094 1.00 0.00 H new ATOM 0 HA GLN A 88 2.250 -14.100 3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.348 -11.539 5.449 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.210 -13.156 6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.406 -13.765 5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.535 -12.259 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.930 -10.299 5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.558 -10.290 7.127 1.00 0.00 H new ATOM 1433 N SER A 89 -0.165 -12.357 3.083 1.00 0.00 N ATOM 1434 CA SER A 89 -1.617 -12.231 3.050 1.00 0.00 C ATOM 1435 C SER A 89 -2.259 -13.586 2.757 1.00 0.00 C ATOM 1436 O SER A 89 -3.291 -13.937 3.330 1.00 0.00 O ATOM 1437 CB SER A 89 -2.036 -11.200 1.993 1.00 0.00 C ATOM 1438 OG SER A 89 -3.439 -10.989 1.994 1.00 0.00 O ATOM 0 H SER A 89 0.312 -11.927 2.291 1.00 0.00 H new ATOM 0 HA SER A 89 -1.961 -11.888 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.526 -10.256 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.720 -11.540 1.007 1.00 0.00 H new ATOM 0 HG SER A 89 -3.671 -10.326 1.310 1.00 0.00 H new ATOM 1444 N TYR A 90 -1.633 -14.355 1.876 1.00 0.00 N ATOM 1445 CA TYR A 90 -2.147 -15.669 1.517 1.00 0.00 C ATOM 1446 C TYR A 90 -1.715 -16.734 2.518 1.00 0.00 C ATOM 1447 O TYR A 90 -2.551 -17.437 3.085 1.00 0.00 O ATOM 1448 CB TYR A 90 -1.690 -16.059 0.113 1.00 0.00 C ATOM 1449 CG TYR A 90 -2.516 -15.436 -0.992 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -3.731 -15.994 -1.361 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -2.083 -14.301 -1.667 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -4.493 -15.448 -2.373 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -2.843 -13.743 -2.682 1.00 0.00 C ATOM 1454 CZ TYR A 90 -4.048 -14.322 -3.030 1.00 0.00 C ATOM 1455 OH TYR A 90 -4.809 -13.786 -4.047 1.00 0.00 O ATOM 0 H TYR A 90 -0.771 -14.092 1.398 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.235 -15.609 1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.648 -15.765 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.729 -17.144 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.088 -16.874 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.141 -13.848 -1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.434 -15.901 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.495 -12.860 -3.198 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.360 -12.994 -4.409 1.00 0.00 H new ATOM 1465 N VAL A 91 -0.410 -16.842 2.741 1.00 0.00 N ATOM 1466 CA VAL A 91 0.135 -17.889 3.603 1.00 0.00 C ATOM 1467 C VAL A 91 -0.128 -17.607 5.080 1.00 0.00 C ATOM 1468 O VAL A 91 -0.171 -18.530 5.892 1.00 0.00 O ATOM 1469 CB VAL A 91 1.651 -18.072 3.384 1.00 0.00 C ATOM 1470 CG1 VAL A 91 1.922 -18.589 1.984 1.00 0.00 C ATOM 1471 CG2 VAL A 91 2.397 -16.766 3.624 1.00 0.00 C ATOM 0 H VAL A 91 0.291 -16.219 2.339 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.380 -18.809 3.326 1.00 0.00 H new ATOM 0 HB VAL A 91 2.014 -18.806 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.996 -18.713 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.425 -19.549 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.541 -17.876 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.464 -16.922 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.033 -16.006 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.229 -16.434 4.649 1.00 0.00 H new ATOM 1481 N HIS A 92 -0.312 -16.332 5.418 1.00 0.00 N ATOM 1482 CA HIS A 92 -0.532 -15.912 6.802 1.00 0.00 C ATOM 1483 C HIS A 92 0.615 -16.352 7.702 1.00 0.00 C ATOM 1484 O HIS A 92 0.419 -17.082 8.675 1.00 0.00 O ATOM 1485 CB HIS A 92 -1.871 -16.435 7.338 1.00 0.00 C ATOM 1486 CG HIS A 92 -3.057 -15.795 6.686 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -4.152 -16.499 6.238 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -3.310 -14.496 6.410 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -5.027 -15.659 5.717 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -4.541 -14.435 5.806 1.00 0.00 N ATOM 0 H HIS A 92 -0.313 -15.565 4.746 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.569 -14.823 6.809 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -1.919 -17.513 7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.918 -16.261 8.413 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.662 -13.659 6.625 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.981 -15.928 5.289 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.003 -13.586 5.480 1.00 0.00 H new ATOM 1499 N HIS A 93 1.816 -15.901 7.363 1.00 0.00 N ATOM 1500 CA HIS A 93 2.999 -16.179 8.171 1.00 0.00 C ATOM 1501 C HIS A 93 2.946 -15.376 9.469 1.00 0.00 C ATOM 1502 O HIS A 93 3.616 -15.698 10.446 1.00 0.00 O ATOM 1503 CB HIS A 93 4.270 -15.854 7.375 1.00 0.00 C ATOM 1504 CG HIS A 93 5.550 -16.052 8.136 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.009 -17.286 8.542 1.00 0.00 N ATOM 1506 CD2 HIS A 93 6.470 -15.157 8.563 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.151 -17.138 9.187 1.00 0.00 C ATOM 1508 NE2 HIS A 93 7.454 -15.855 9.212 1.00 0.00 N ATOM 0 H HIS A 93 1.998 -15.339 6.531 1.00 0.00 H new ATOM 0 HA HIS A 93 3.018 -17.239 8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.293 -16.478 6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.218 -14.818 7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.435 -14.087 8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.738 -17.934 9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.284 -15.449 9.644 1.00 0.00 H new ATOM 1517 N ILE A 94 2.137 -14.329 9.464 1.00 0.00 N ATOM 1518 CA ILE A 94 1.902 -13.534 10.656 1.00 0.00 C ATOM 1519 C ILE A 94 0.405 -13.412 10.925 1.00 0.00 C ATOM 1520 O ILE A 94 -0.285 -12.603 10.307 1.00 0.00 O ATOM 1521 CB ILE A 94 2.537 -12.127 10.557 1.00 0.00 C ATOM 1522 CG1 ILE A 94 2.222 -11.476 9.201 1.00 0.00 C ATOM 1523 CG2 ILE A 94 4.042 -12.206 10.779 1.00 0.00 C ATOM 1524 CD1 ILE A 94 2.736 -10.056 9.071 1.00 0.00 C ATOM 0 H ILE A 94 1.629 -14.009 8.640 1.00 0.00 H new ATOM 0 HA ILE A 94 2.381 -14.052 11.487 1.00 0.00 H new ATOM 0 HB ILE A 94 2.104 -11.502 11.338 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.656 -12.084 8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.143 -11.477 9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.473 -11.208 10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.243 -12.617 11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.488 -12.850 10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.476 -9.663 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.283 -9.433 9.842 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.820 -10.049 9.189 1.00 0.00 H new ATOM 1536 N HIS A 95 -0.102 -14.244 11.820 1.00 0.00 N ATOM 1537 CA HIS A 95 -1.512 -14.184 12.185 1.00 0.00 C ATOM 1538 C HIS A 95 -1.671 -13.638 13.600 1.00 0.00 C ATOM 1539 O HIS A 95 -2.000 -14.361 14.537 1.00 0.00 O ATOM 1540 CB HIS A 95 -2.211 -15.552 12.026 1.00 0.00 C ATOM 1541 CG HIS A 95 -1.583 -16.693 12.780 1.00 0.00 C ATOM 1542 ND1 HIS A 95 -2.003 -17.098 14.031 1.00 0.00 N ATOM 1543 CD2 HIS A 95 -0.577 -17.532 12.439 1.00 0.00 C ATOM 1544 CE1 HIS A 95 -1.282 -18.130 14.424 1.00 0.00 C ATOM 1545 NE2 HIS A 95 -0.413 -18.412 13.477 1.00 0.00 N ATOM 0 H HIS A 95 0.434 -14.964 12.305 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.005 -13.500 11.494 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.246 -15.451 12.351 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.233 -15.808 10.967 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.009 -17.512 11.520 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.387 -18.654 15.363 1.00 0.00 H new ATOM 0 HE2 HIS A 95 0.274 -19.166 13.510 1.00 0.00 H new ATOM 1554 N LYS A 96 -1.411 -12.348 13.740 1.00 0.00 N ATOM 1555 CA LYS A 96 -1.465 -11.684 15.033 1.00 0.00 C ATOM 1556 C LYS A 96 -1.445 -10.170 14.822 1.00 0.00 C ATOM 1557 O LYS A 96 -1.702 -9.694 13.713 1.00 0.00 O ATOM 1558 CB LYS A 96 -0.279 -12.129 15.906 1.00 0.00 C ATOM 1559 CG LYS A 96 -0.565 -12.092 17.402 1.00 0.00 C ATOM 1560 CD LYS A 96 -1.695 -13.040 17.766 1.00 0.00 C ATOM 1561 CE LYS A 96 -2.115 -12.893 19.221 1.00 0.00 C ATOM 1562 NZ LYS A 96 -1.067 -13.351 20.173 1.00 0.00 N ATOM 0 H LYS A 96 -1.158 -11.734 12.965 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.386 -11.958 15.548 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.005 -13.143 15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.576 -11.488 15.694 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.334 -12.364 17.954 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.827 -11.077 17.700 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.552 -12.848 17.120 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.380 -14.067 17.581 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.351 -11.848 19.423 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.028 -13.464 19.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.406 -13.228 21.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.859 -14.356 20.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.203 -12.790 20.034 1.00 0.00 H new ATOM 1576 N LYS A 97 -1.118 -9.420 15.869 1.00 0.00 N ATOM 1577 CA LYS A 97 -1.114 -7.962 15.807 1.00 0.00 C ATOM 1578 C LYS A 97 -0.154 -7.446 14.745 1.00 0.00 C ATOM 1579 O LYS A 97 -0.367 -6.375 14.182 1.00 0.00 O ATOM 1580 CB LYS A 97 -0.727 -7.361 17.155 1.00 0.00 C ATOM 1581 CG LYS A 97 -1.753 -7.577 18.252 1.00 0.00 C ATOM 1582 CD LYS A 97 -1.323 -6.880 19.527 1.00 0.00 C ATOM 1583 CE LYS A 97 -2.357 -7.019 20.626 1.00 0.00 C ATOM 1584 NZ LYS A 97 -1.938 -6.301 21.853 1.00 0.00 N ATOM 0 H LYS A 97 -0.851 -9.801 16.777 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.127 -7.656 15.545 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.223 -7.791 17.472 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.566 -6.290 17.030 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.722 -7.195 17.931 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.876 -8.644 18.438 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.375 -7.297 19.866 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.151 -5.823 19.322 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.313 -6.626 20.281 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.510 -8.074 20.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.666 -6.414 22.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.038 -6.694 22.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.816 -5.290 21.639 1.00 0.00 H new ATOM 1598 N ARG A 98 0.902 -8.210 14.483 1.00 0.00 N ATOM 1599 CA ARG A 98 1.925 -7.818 13.520 1.00 0.00 C ATOM 1600 C ARG A 98 1.307 -7.462 12.170 1.00 0.00 C ATOM 1601 O ARG A 98 1.620 -6.422 11.591 1.00 0.00 O ATOM 1602 CB ARG A 98 2.943 -8.947 13.341 1.00 0.00 C ATOM 1603 CG ARG A 98 4.241 -8.503 12.680 1.00 0.00 C ATOM 1604 CD ARG A 98 4.938 -7.425 13.498 1.00 0.00 C ATOM 1605 NE ARG A 98 5.069 -7.815 14.902 1.00 0.00 N ATOM 1606 CZ ARG A 98 5.394 -6.979 15.882 1.00 0.00 C ATOM 1607 NH1 ARG A 98 5.697 -5.712 15.615 1.00 0.00 N ATOM 1608 NH2 ARG A 98 5.419 -7.413 17.136 1.00 0.00 N ATOM 0 H ARG A 98 1.072 -9.112 14.929 1.00 0.00 H new ATOM 0 HA ARG A 98 2.429 -6.934 13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.171 -9.376 14.317 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.493 -9.738 12.742 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.904 -9.360 12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.031 -8.125 11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.926 -7.232 13.080 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.375 -6.494 13.429 1.00 0.00 H new ATOM 0 HE ARG A 98 4.900 -8.791 15.144 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.681 -5.376 14.652 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.945 -5.076 16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.189 -8.385 17.344 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.668 -6.775 17.892 1.00 0.00 H new ATOM 1622 N PHE A 99 0.415 -8.319 11.684 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.229 -8.098 10.395 1.00 0.00 C ATOM 1624 C PHE A 99 -1.125 -6.864 10.459 1.00 0.00 C ATOM 1625 O PHE A 99 -1.159 -6.058 9.526 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.049 -9.327 9.992 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.602 -9.259 8.593 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -0.849 -9.697 7.514 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -2.874 -8.756 8.357 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.353 -9.638 6.229 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -3.383 -8.694 7.073 1.00 0.00 C ATOM 1632 CZ PHE A 99 -2.621 -9.133 6.008 1.00 0.00 C ATOM 0 H PHE A 99 0.122 -9.171 12.162 1.00 0.00 H new ATOM 0 HA PHE A 99 0.543 -7.933 9.643 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.423 -10.215 10.082 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.875 -9.447 10.693 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.144 -10.089 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.473 -8.409 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.757 -9.986 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.375 -8.303 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.015 -9.082 5.004 1.00 0.00 H new ATOM 1642 N LYS A 100 -1.831 -6.714 11.575 1.00 0.00 N ATOM 1643 CA LYS A 100 -2.735 -5.591 11.767 1.00 0.00 C ATOM 1644 C LYS A 100 -1.962 -4.279 11.802 1.00 0.00 C ATOM 1645 O LYS A 100 -2.308 -3.332 11.106 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.527 -5.758 13.064 1.00 0.00 C ATOM 1647 CG LYS A 100 -4.328 -7.046 13.132 1.00 0.00 C ATOM 1648 CD LYS A 100 -5.218 -7.083 14.364 1.00 0.00 C ATOM 1649 CE LYS A 100 -6.289 -6.002 14.311 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.178 -6.036 15.503 1.00 0.00 N ATOM 0 H LYS A 100 -1.792 -7.361 12.363 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.429 -5.568 10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.837 -5.726 13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.206 -4.913 13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.941 -7.142 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.649 -7.898 13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.691 -8.062 14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.609 -6.950 15.258 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.813 -5.024 14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.888 -6.129 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.892 -5.284 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.653 -6.960 15.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.612 -5.888 16.363 1.00 0.00 H new ATOM 1664 N ASP A 101 -0.903 -4.247 12.603 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.085 -3.044 12.769 1.00 0.00 C ATOM 1666 C ASP A 101 0.529 -2.618 11.439 1.00 0.00 C ATOM 1667 O ASP A 101 0.579 -1.428 11.119 1.00 0.00 O ATOM 1668 CB ASP A 101 1.023 -3.297 13.790 1.00 0.00 C ATOM 1669 CG ASP A 101 1.764 -2.032 14.171 1.00 0.00 C ATOM 1670 OD1 ASP A 101 2.769 -1.701 13.513 1.00 0.00 O ATOM 1671 OD2 ASP A 101 1.348 -1.364 15.142 1.00 0.00 O ATOM 0 H ASP A 101 -0.586 -5.046 13.153 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.730 -2.242 13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.592 -3.745 14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.730 -4.019 13.382 1.00 0.00 H new ATOM 1676 N ILE A 102 1.005 -3.597 10.676 1.00 0.00 N ATOM 1677 CA ILE A 102 1.509 -3.345 9.331 1.00 0.00 C ATOM 1678 C ILE A 102 0.421 -2.709 8.467 1.00 0.00 C ATOM 1679 O ILE A 102 0.643 -1.676 7.831 1.00 0.00 O ATOM 1680 CB ILE A 102 2.023 -4.644 8.659 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.301 -5.126 9.349 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.275 -4.422 7.174 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.849 -6.425 8.791 1.00 0.00 C ATOM 0 H ILE A 102 1.052 -4.573 10.967 1.00 0.00 H new ATOM 0 HA ILE A 102 2.350 -2.657 9.420 1.00 0.00 H new ATOM 0 HB ILE A 102 1.256 -5.411 8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.064 -4.353 9.259 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.101 -5.255 10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.635 -5.347 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.347 -4.119 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.024 -3.640 7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.755 -6.700 9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.105 -7.213 8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.082 -6.297 7.734 1.00 0.00 H new ATOM 1695 N THR A 103 -0.761 -3.315 8.474 1.00 0.00 N ATOM 1696 CA THR A 103 -1.899 -2.790 7.736 1.00 0.00 C ATOM 1697 C THR A 103 -2.213 -1.357 8.180 1.00 0.00 C ATOM 1698 O THR A 103 -2.421 -0.469 7.353 1.00 0.00 O ATOM 1699 CB THR A 103 -3.144 -3.679 7.941 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.832 -5.043 7.621 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.304 -3.211 7.076 1.00 0.00 C ATOM 0 H THR A 103 -0.954 -4.175 8.987 1.00 0.00 H new ATOM 0 HA THR A 103 -1.638 -2.788 6.678 1.00 0.00 H new ATOM 0 HB THR A 103 -3.440 -3.604 8.987 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.309 -5.439 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.166 -3.857 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.563 -2.185 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.016 -3.255 6.026 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.217 -1.147 9.492 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.455 0.165 10.080 1.00 0.00 C ATOM 1711 C GLU A 104 -1.432 1.180 9.583 1.00 0.00 C ATOM 1712 O GLU A 104 -1.789 2.270 9.142 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.383 0.069 11.608 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.522 -0.719 12.230 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.864 -0.042 12.057 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.470 -0.180 10.975 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -5.325 0.619 13.010 1.00 0.00 O ATOM 0 H GLU A 104 -2.055 -1.884 10.179 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.448 0.500 9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.438 -0.395 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.380 1.076 12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.560 -1.711 11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.324 -0.858 13.293 1.00 0.00 H new ATOM 1724 N SER A 105 -0.160 0.804 9.649 1.00 0.00 N ATOM 1725 CA SER A 105 0.925 1.682 9.234 1.00 0.00 C ATOM 1726 C SER A 105 0.793 2.063 7.760 1.00 0.00 C ATOM 1727 O SER A 105 0.982 3.224 7.389 1.00 0.00 O ATOM 1728 CB SER A 105 2.273 1.001 9.492 1.00 0.00 C ATOM 1729 OG SER A 105 2.411 0.650 10.861 1.00 0.00 O ATOM 0 H SER A 105 0.145 -0.108 9.988 1.00 0.00 H new ATOM 0 HA SER A 105 0.870 2.599 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.358 0.108 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.084 1.669 9.200 1.00 0.00 H new ATOM 0 HG SER A 105 1.812 -0.097 11.069 1.00 0.00 H new ATOM 1735 N VAL A 106 0.451 1.087 6.925 1.00 0.00 N ATOM 1736 CA VAL A 106 0.274 1.330 5.500 1.00 0.00 C ATOM 1737 C VAL A 106 -0.939 2.226 5.257 1.00 0.00 C ATOM 1738 O VAL A 106 -0.834 3.260 4.598 1.00 0.00 O ATOM 1739 CB VAL A 106 0.116 0.011 4.711 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.118 0.286 3.234 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.343 -0.871 4.893 1.00 0.00 C ATOM 0 H VAL A 106 0.291 0.121 7.212 1.00 0.00 H new ATOM 0 HA VAL A 106 1.172 1.833 5.142 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.754 -0.514 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.226 -0.658 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.026 0.877 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.730 0.837 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.213 -1.795 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.226 -0.345 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.470 -1.105 5.950 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.081 1.841 5.825 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.323 2.593 5.659 1.00 0.00 C ATOM 1753 C LEU A 107 -3.178 4.029 6.156 1.00 0.00 C ATOM 1754 O LEU A 107 -3.612 4.967 5.484 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.475 1.897 6.388 1.00 0.00 C ATOM 1756 CG LEU A 107 -5.077 0.695 5.653 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.168 0.052 6.491 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.627 1.120 4.300 1.00 0.00 C ATOM 0 H LEU A 107 -2.171 1.008 6.407 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.547 2.626 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.120 1.566 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.265 2.627 6.567 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.289 -0.040 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.585 -0.800 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.748 -0.286 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.956 0.780 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.051 0.254 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.402 1.873 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.822 1.538 3.695 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.563 4.194 7.322 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.339 5.519 7.895 1.00 0.00 C ATOM 1772 C TYR A 108 -1.527 6.389 6.940 1.00 0.00 C ATOM 1773 O TYR A 108 -1.903 7.525 6.651 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.617 5.400 9.244 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.334 6.726 9.912 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.346 7.438 10.542 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -0.053 7.262 9.916 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -2.090 8.652 11.152 1.00 0.00 C ATOM 1779 CE2 TYR A 108 0.212 8.474 10.523 1.00 0.00 C ATOM 1780 CZ TYR A 108 -0.809 9.164 11.142 1.00 0.00 C ATOM 1781 OH TYR A 108 -0.550 10.374 11.748 1.00 0.00 O ATOM 0 H TYR A 108 -2.209 3.425 7.891 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.308 5.992 8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.221 4.789 9.915 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.675 4.872 9.094 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.349 7.037 10.556 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.750 6.722 9.436 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.889 9.197 11.634 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.213 8.879 10.513 1.00 0.00 H new ATOM 0 HH TYR A 108 0.401 10.591 11.652 1.00 0.00 H new ATOM 1791 N THR A 109 -0.433 5.837 6.438 1.00 0.00 N ATOM 1792 CA THR A 109 0.439 6.560 5.525 1.00 0.00 C ATOM 1793 C THR A 109 -0.283 6.877 4.214 1.00 0.00 C ATOM 1794 O THR A 109 -0.202 7.995 3.707 1.00 0.00 O ATOM 1795 CB THR A 109 1.716 5.752 5.234 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.329 5.359 6.470 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.705 6.564 4.412 1.00 0.00 C ATOM 0 H THR A 109 -0.127 4.887 6.649 1.00 0.00 H new ATOM 0 HA THR A 109 0.717 7.498 6.007 1.00 0.00 H new ATOM 0 HB THR A 109 1.437 4.869 4.660 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.830 4.611 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.597 5.967 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.247 6.843 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.981 7.465 4.961 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.010 5.897 3.685 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.750 6.079 2.439 1.00 0.00 C ATOM 1807 C LEU A 110 -2.810 7.168 2.583 1.00 0.00 C ATOM 1808 O LEU A 110 -2.958 8.017 1.707 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.402 4.766 2.006 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.428 3.661 1.600 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.180 2.387 1.257 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.580 4.110 0.421 1.00 0.00 C ATOM 0 H LEU A 110 -1.103 4.969 4.099 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.041 6.391 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.022 4.400 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.068 4.968 1.167 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.769 3.455 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.470 1.611 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.749 2.055 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.862 2.579 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.109 3.312 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.227 4.342 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.013 4.999 0.698 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.535 7.146 3.696 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.567 8.148 3.954 1.00 0.00 C ATOM 1826 C HIS A 111 -3.941 9.528 4.114 1.00 0.00 C ATOM 1827 O HIS A 111 -4.521 10.537 3.708 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.369 7.800 5.213 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.270 6.606 5.073 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.212 6.271 6.018 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.369 5.664 4.100 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -7.849 5.181 5.639 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.360 4.790 4.479 1.00 0.00 N ATOM 0 H HIS A 111 -3.429 6.449 4.433 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.244 8.156 3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.673 7.619 6.032 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.973 8.663 5.493 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.779 5.611 3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -8.640 4.690 6.187 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.666 3.974 3.950 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.751 9.553 4.701 1.00 0.00 N ATOM 1843 CA ALA A 112 -2.030 10.796 4.943 1.00 0.00 C ATOM 1844 C ALA A 112 -1.590 11.441 3.633 1.00 0.00 C ATOM 1845 O ALA A 112 -1.875 12.609 3.381 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.823 10.525 5.831 1.00 0.00 C ATOM 0 H ALA A 112 -2.261 8.718 5.021 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.700 11.491 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.286 11.457 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.157 10.110 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.161 9.814 5.338 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.943 10.654 2.780 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.415 11.166 1.520 1.00 0.00 C ATOM 1854 C VAL A 113 -1.553 11.561 0.591 1.00 0.00 C ATOM 1855 O VAL A 113 -1.481 12.574 -0.103 1.00 0.00 O ATOM 1856 CB VAL A 113 0.495 10.132 0.822 1.00 0.00 C ATOM 1857 CG1 VAL A 113 1.035 10.678 -0.492 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.636 9.732 1.738 1.00 0.00 C ATOM 0 H VAL A 113 -0.772 9.661 2.937 1.00 0.00 H new ATOM 0 HA VAL A 113 0.187 12.045 1.750 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.103 9.248 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.673 9.929 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.204 10.916 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.616 11.580 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.269 9.003 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.227 10.613 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.233 9.293 2.650 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.612 10.761 0.605 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.799 11.035 -0.193 1.00 0.00 C ATOM 1870 C LYS A 114 -4.361 12.418 0.133 1.00 0.00 C ATOM 1871 O LYS A 114 -4.719 13.187 -0.766 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.861 9.963 0.069 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.156 10.179 -0.693 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.166 9.087 -0.396 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.490 9.357 -1.088 1.00 0.00 C ATOM 1876 NZ LYS A 114 -9.497 8.303 -0.791 1.00 0.00 N ATOM 0 H LYS A 114 -2.672 9.911 1.165 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.521 11.016 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.452 8.988 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.080 9.936 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.578 11.148 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.950 10.204 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.772 8.125 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.323 9.017 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.875 10.326 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.332 9.414 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.345 8.459 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.095 7.368 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.756 8.344 0.215 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.412 12.735 1.421 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.944 14.017 1.869 1.00 0.00 C ATOM 1892 C ASP A 115 -4.009 15.152 1.465 1.00 0.00 C ATOM 1893 O ASP A 115 -4.462 16.242 1.121 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.151 14.017 3.387 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.930 15.230 3.867 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -7.165 15.259 3.671 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.320 16.155 4.438 1.00 0.00 O ATOM 0 H ASP A 115 -4.092 12.124 2.173 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.910 14.171 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.681 13.110 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.181 13.993 3.883 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.707 14.877 1.486 1.00 0.00 N ATOM 1903 CA GLU A 116 -1.701 15.862 1.100 1.00 0.00 C ATOM 1904 C GLU A 116 -1.796 16.189 -0.391 1.00 0.00 C ATOM 1905 O GLU A 116 -1.639 17.344 -0.796 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.298 15.356 1.451 1.00 0.00 C ATOM 1907 CG GLU A 116 -0.094 15.179 2.944 1.00 0.00 C ATOM 1908 CD GLU A 116 1.306 14.730 3.316 1.00 0.00 C ATOM 1909 OE1 GLU A 116 2.277 15.411 2.928 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.436 13.714 4.031 1.00 0.00 O ATOM 0 H GLU A 116 -2.323 13.975 1.768 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.892 16.779 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.124 14.404 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.443 16.058 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.310 16.122 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.812 14.448 3.316 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.075 15.172 -1.200 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.232 15.358 -2.641 1.00 0.00 C ATOM 1919 C ILE A 117 -3.373 16.326 -2.939 1.00 0.00 C ATOM 1920 O ILE A 117 -3.203 17.295 -3.678 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.500 14.017 -3.366 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.346 13.040 -3.121 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.694 14.246 -4.861 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.587 11.655 -3.685 1.00 0.00 C ATOM 0 H ILE A 117 -2.197 14.210 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.295 15.772 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.415 13.583 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.437 13.448 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.172 12.960 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.881 13.292 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.544 14.910 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.796 14.700 -5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.727 11.021 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.477 11.225 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.731 11.721 -4.763 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.529 16.074 -2.331 1.00 0.00 N ATOM 1937 CA ALA A 118 -5.706 16.907 -2.549 1.00 0.00 C ATOM 1938 C ALA A 118 -5.598 18.235 -1.800 1.00 0.00 C ATOM 1939 O ALA A 118 -6.413 19.139 -1.994 1.00 0.00 O ATOM 1940 CB ALA A 118 -6.961 16.158 -2.129 1.00 0.00 C ATOM 0 H ALA A 118 -4.675 15.299 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.767 17.134 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.834 16.789 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.055 15.246 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.895 15.902 -1.072 1.00 0.00 H new ATOM 1946 N ARG A 119 -4.592 18.339 -0.943 1.00 0.00 N ATOM 1947 CA ARG A 119 -4.369 19.539 -0.150 1.00 0.00 C ATOM 1948 C ARG A 119 -3.641 20.619 -0.955 1.00 0.00 C ATOM 1949 O ARG A 119 -4.130 21.744 -1.071 1.00 0.00 O ATOM 1950 CB ARG A 119 -3.589 19.171 1.129 1.00 0.00 C ATOM 1951 CG ARG A 119 -2.632 20.242 1.643 1.00 0.00 C ATOM 1952 CD ARG A 119 -3.342 21.523 2.049 1.00 0.00 C ATOM 1953 NE ARG A 119 -2.544 22.692 1.682 1.00 0.00 N ATOM 1954 CZ ARG A 119 -2.952 23.951 1.811 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -4.116 24.223 2.387 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -2.190 24.938 1.356 1.00 0.00 N ATOM 0 H ARG A 119 -3.911 17.598 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.336 19.957 0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.306 18.940 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.020 18.261 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.082 19.850 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -1.899 20.469 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.317 21.574 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.521 21.521 3.124 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.611 22.531 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.703 23.464 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -4.424 25.191 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.297 24.729 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.498 25.906 1.452 1.00 0.00 H new ATOM 1970 N GLU A 120 -2.484 20.286 -1.511 1.00 0.00 N ATOM 1971 CA GLU A 120 -1.628 21.298 -2.118 1.00 0.00 C ATOM 1972 C GLU A 120 -1.931 21.479 -3.606 1.00 0.00 C ATOM 1973 O GLU A 120 -2.386 22.543 -4.027 1.00 0.00 O ATOM 1974 CB GLU A 120 -0.160 20.937 -1.900 1.00 0.00 C ATOM 1975 CG GLU A 120 0.693 22.111 -1.439 1.00 0.00 C ATOM 1976 CD GLU A 120 0.135 22.800 -0.206 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.165 22.203 0.889 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -0.327 23.950 -0.325 1.00 0.00 O ATOM 0 H GLU A 120 -2.119 19.335 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.834 22.252 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.096 20.139 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.251 20.543 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.702 21.759 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.772 22.836 -2.249 1.00 0.00 H new