USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 16 GLN : amide:sc= -0.532 K(o=-1.6,f=-0.67) USER MOD Set 1.2: A 81 MET CE :methyl 144:sc= -1.08 (180deg=-2.27!) USER MOD Set 2.1: A 35 CYS SG : rot 31:sc= -0.183 USER MOD Set 2.2: A 69 SER OG : rot 107:sc= 0.101 USER MOD Set 2.3: A 71 THR OG1 : rot 144:sc= 0.0479 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.62) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc=-0.00447 X(o=-0.0045,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.000304 X(o=-0.0003,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.0284 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00683) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 140:sc= -1.07 (180deg=-3.23!) USER MOD Single : A 50 GLN : amide:sc= -0.0781 K(o=-0.078,f=-0.62) USER MOD Single : A 51 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.37) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.543 USER MOD Single : A 58 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.25) USER MOD Single : A 60 MET CE :methyl -153:sc= -0.266 (180deg=-1.1) USER MOD Single : A 80 MET CE :methyl -130:sc= -0.484 (180deg=-3.67!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.144 8.643 0.815 1.00 0.00 N ATOM 66 CA TYR A 5 -4.990 7.857 -0.415 1.00 0.00 C ATOM 67 C TYR A 5 -6.311 7.812 -1.188 1.00 0.00 C ATOM 68 O TYR A 5 -6.329 7.924 -2.416 1.00 0.00 O ATOM 69 CB TYR A 5 -4.551 6.422 -0.096 1.00 0.00 C ATOM 70 CG TYR A 5 -3.176 6.438 0.532 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.034 6.472 -0.279 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.044 6.423 1.925 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.761 6.492 0.306 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.773 6.442 2.508 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.631 6.477 1.699 1.00 0.00 C ATOM 76 OH TYR A 5 0.624 6.496 2.277 1.00 0.00 O ATOM 0 HA TYR A 5 -4.224 8.339 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.266 5.955 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.538 5.824 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.135 6.483 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.924 6.397 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.120 6.519 -0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.672 6.430 3.583 1.00 0.00 H new ATOM 0 HH TYR A 5 0.535 6.483 3.253 1.00 0.00 H new ATOM 86 N LYS A 6 -7.416 7.650 -0.449 1.00 0.00 N ATOM 87 CA LYS A 6 -8.746 7.594 -1.063 1.00 0.00 C ATOM 88 C LYS A 6 -9.180 8.971 -1.591 1.00 0.00 C ATOM 89 O LYS A 6 -10.053 9.063 -2.456 1.00 0.00 O ATOM 90 CB LYS A 6 -9.783 7.105 -0.047 1.00 0.00 C ATOM 91 CG LYS A 6 -10.867 6.290 -0.764 1.00 0.00 C ATOM 92 CD LYS A 6 -10.460 4.814 -0.809 1.00 0.00 C ATOM 93 CE LYS A 6 -10.728 4.164 0.553 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.104 2.732 0.363 1.00 0.00 N ATOM 0 H LYS A 6 -7.415 7.556 0.567 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.687 6.898 -1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.299 6.494 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.233 7.955 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.820 6.399 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.010 6.669 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.020 4.296 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.404 4.725 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.841 4.236 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.528 4.695 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.285 2.295 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.962 2.673 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.327 2.229 -0.111 1.00 0.00 H new ATOM 108 N ALA A 7 -8.567 10.037 -1.063 1.00 0.00 N ATOM 109 CA ALA A 7 -8.901 11.399 -1.489 1.00 0.00 C ATOM 110 C ALA A 7 -8.472 11.646 -2.939 1.00 0.00 C ATOM 111 O ALA A 7 -9.109 12.416 -3.657 1.00 0.00 O ATOM 112 CB ALA A 7 -8.212 12.426 -0.587 1.00 0.00 C ATOM 0 H ALA A 7 -7.843 9.983 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.983 11.509 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.471 13.432 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.542 12.286 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.132 12.292 -0.643 1.00 0.00 H new ATOM 118 N ALA A 8 -7.388 10.989 -3.361 1.00 0.00 N ATOM 119 CA ALA A 8 -6.885 11.152 -4.727 1.00 0.00 C ATOM 120 C ALA A 8 -7.678 10.292 -5.714 1.00 0.00 C ATOM 121 O ALA A 8 -8.031 10.752 -6.799 1.00 0.00 O ATOM 122 CB ALA A 8 -5.410 10.759 -4.806 1.00 0.00 C ATOM 0 H ALA A 8 -6.847 10.346 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.002 12.202 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.054 10.887 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.828 11.393 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.295 9.717 -4.509 1.00 0.00 H new ATOM 128 N VAL A 9 -7.950 9.041 -5.328 1.00 0.00 N ATOM 129 CA VAL A 9 -8.703 8.126 -6.195 1.00 0.00 C ATOM 130 C VAL A 9 -10.141 8.624 -6.418 1.00 0.00 C ATOM 131 O VAL A 9 -10.766 8.304 -7.430 1.00 0.00 O ATOM 132 CB VAL A 9 -8.729 6.706 -5.599 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.606 6.673 -4.344 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.286 5.725 -6.636 1.00 0.00 C ATOM 0 H VAL A 9 -7.665 8.642 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.195 8.097 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.713 6.418 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.615 5.663 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.205 7.363 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.623 6.969 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.304 4.720 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.298 6.022 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.652 5.734 -7.523 1.00 0.00 H new ATOM 144 N GLU A 10 -10.657 9.413 -5.468 1.00 0.00 N ATOM 145 CA GLU A 10 -12.013 9.947 -5.587 1.00 0.00 C ATOM 146 C GLU A 10 -12.052 11.193 -6.484 1.00 0.00 C ATOM 147 O GLU A 10 -13.121 11.587 -6.955 1.00 0.00 O ATOM 148 CB GLU A 10 -12.577 10.293 -4.202 1.00 0.00 C ATOM 149 CG GLU A 10 -11.807 11.471 -3.594 1.00 0.00 C ATOM 150 CD GLU A 10 -12.692 12.200 -2.589 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.447 13.062 -3.009 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.600 11.888 -1.412 1.00 0.00 O ATOM 0 H GLU A 10 -10.162 9.691 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.628 9.174 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.634 10.545 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.506 9.426 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.902 11.112 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.492 12.157 -4.381 1.00 0.00 H new ATOM 159 N GLN A 11 -10.884 11.812 -6.720 1.00 0.00 N ATOM 160 CA GLN A 11 -10.828 13.010 -7.565 1.00 0.00 C ATOM 161 C GLN A 11 -9.721 12.904 -8.626 1.00 0.00 C ATOM 162 O GLN A 11 -9.168 13.917 -9.066 1.00 0.00 O ATOM 163 CB GLN A 11 -10.599 14.263 -6.704 1.00 0.00 C ATOM 164 CG GLN A 11 -9.181 14.255 -6.114 1.00 0.00 C ATOM 165 CD GLN A 11 -9.088 15.256 -4.962 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.843 16.228 -4.908 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.192 15.078 -4.028 1.00 0.00 N ATOM 0 H GLN A 11 -9.985 11.509 -6.346 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.786 13.091 -8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.743 15.159 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.334 14.299 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.932 13.255 -5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.455 14.509 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.565 14.274 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.119 15.743 -3.258 1.00 0.00 H new ATOM 176 N LEU A 12 -9.409 11.672 -9.045 1.00 0.00 N ATOM 177 CA LEU A 12 -8.371 11.459 -10.063 1.00 0.00 C ATOM 178 C LEU A 12 -8.920 11.748 -11.463 1.00 0.00 C ATOM 179 O LEU A 12 -10.120 11.973 -11.642 1.00 0.00 O ATOM 180 CB LEU A 12 -7.824 10.021 -10.024 1.00 0.00 C ATOM 181 CG LEU A 12 -8.833 8.916 -9.677 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.060 9.015 -10.587 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.173 7.548 -9.866 1.00 0.00 C ATOM 0 H LEU A 12 -9.852 10.819 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.557 12.148 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.390 9.794 -10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.013 9.984 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.148 9.037 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.767 8.226 -10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.535 9.987 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.752 8.903 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.887 6.762 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.855 7.438 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.306 7.468 -9.210 1.00 0.00 H new ATOM 195 N THR A 13 -8.025 11.740 -12.454 1.00 0.00 N ATOM 196 CA THR A 13 -8.423 12.004 -13.841 1.00 0.00 C ATOM 197 C THR A 13 -8.559 10.701 -14.625 1.00 0.00 C ATOM 198 O THR A 13 -8.113 9.638 -14.184 1.00 0.00 O ATOM 199 CB THR A 13 -7.390 12.892 -14.555 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.147 12.844 -13.867 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.896 14.333 -14.605 1.00 0.00 C ATOM 0 H THR A 13 -7.030 11.556 -12.326 1.00 0.00 H new ATOM 0 HA THR A 13 -9.384 12.517 -13.805 1.00 0.00 H new ATOM 0 HB THR A 13 -7.248 12.524 -15.571 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.495 13.411 -14.330 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.162 14.959 -15.112 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.840 14.369 -15.149 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.048 14.701 -13.590 1.00 0.00 H new ATOM 209 N ASP A 14 -9.165 10.806 -15.811 1.00 0.00 N ATOM 210 CA ASP A 14 -9.340 9.643 -16.682 1.00 0.00 C ATOM 211 C ASP A 14 -7.983 9.180 -17.211 1.00 0.00 C ATOM 212 O ASP A 14 -7.756 7.985 -17.409 1.00 0.00 O ATOM 213 CB ASP A 14 -10.250 9.981 -17.867 1.00 0.00 C ATOM 214 CG ASP A 14 -11.702 10.023 -17.399 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.323 8.973 -17.359 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.173 11.105 -17.087 1.00 0.00 O ATOM 0 H ASP A 14 -9.539 11.677 -16.187 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.801 8.848 -16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.967 10.943 -18.294 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.132 9.236 -18.654 1.00 0.00 H new ATOM 221 N GLU A 15 -7.076 10.145 -17.418 1.00 0.00 N ATOM 222 CA GLU A 15 -5.730 9.835 -17.905 1.00 0.00 C ATOM 223 C GLU A 15 -4.976 8.977 -16.885 1.00 0.00 C ATOM 224 O GLU A 15 -4.160 8.134 -17.254 1.00 0.00 O ATOM 225 CB GLU A 15 -4.936 11.122 -18.155 1.00 0.00 C ATOM 226 CG GLU A 15 -5.168 11.596 -19.592 1.00 0.00 C ATOM 227 CD GLU A 15 -4.351 12.859 -19.853 1.00 0.00 C ATOM 228 OE1 GLU A 15 -4.860 13.936 -19.591 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.228 12.730 -20.314 1.00 0.00 O ATOM 0 H GLU A 15 -7.250 11.137 -17.257 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.832 9.285 -18.841 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.246 11.895 -17.452 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.874 10.945 -17.987 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.881 10.814 -20.295 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.227 11.796 -19.753 1.00 0.00 H new ATOM 236 N GLN A 16 -5.271 9.195 -15.596 1.00 0.00 N ATOM 237 CA GLN A 16 -4.630 8.429 -14.525 1.00 0.00 C ATOM 238 C GLN A 16 -5.142 6.992 -14.533 1.00 0.00 C ATOM 239 O GLN A 16 -4.364 6.042 -14.427 1.00 0.00 O ATOM 240 CB GLN A 16 -4.931 9.055 -13.159 1.00 0.00 C ATOM 241 CG GLN A 16 -3.702 9.817 -12.663 1.00 0.00 C ATOM 242 CD GLN A 16 -4.142 10.971 -11.765 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.852 12.133 -12.052 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.833 10.720 -10.686 1.00 0.00 N ATOM 0 H GLN A 16 -5.944 9.890 -15.274 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.554 8.441 -14.697 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.783 9.730 -13.237 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.203 8.279 -12.444 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.043 9.145 -12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.132 10.199 -13.510 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.074 9.758 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.132 11.486 -10.082 1.00 0.00 H new ATOM 253 N LYS A 17 -6.464 6.849 -14.675 1.00 0.00 N ATOM 254 CA LYS A 17 -7.087 5.525 -14.713 1.00 0.00 C ATOM 255 C LYS A 17 -6.569 4.738 -15.917 1.00 0.00 C ATOM 256 O LYS A 17 -6.230 3.562 -15.801 1.00 0.00 O ATOM 257 CB LYS A 17 -8.612 5.645 -14.819 1.00 0.00 C ATOM 258 CG LYS A 17 -9.172 6.298 -13.552 1.00 0.00 C ATOM 259 CD LYS A 17 -10.399 7.143 -13.909 1.00 0.00 C ATOM 260 CE LYS A 17 -11.473 6.976 -12.829 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.368 5.837 -13.185 1.00 0.00 N ATOM 0 H LYS A 17 -7.117 7.627 -14.765 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.831 5.005 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.879 6.239 -15.693 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.055 4.658 -14.956 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.444 5.532 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.410 6.923 -13.086 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.117 8.192 -13.996 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.793 6.838 -14.878 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.005 6.795 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.055 7.893 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.096 5.725 -12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.825 6.027 -14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.808 4.963 -13.253 1.00 0.00 H new ATOM 275 N ASN A 18 -6.507 5.410 -17.071 1.00 0.00 N ATOM 276 CA ASN A 18 -6.023 4.772 -18.299 1.00 0.00 C ATOM 277 C ASN A 18 -4.512 4.531 -18.235 1.00 0.00 C ATOM 278 O ASN A 18 -4.004 3.586 -18.837 1.00 0.00 O ATOM 279 CB ASN A 18 -6.337 5.643 -19.520 1.00 0.00 C ATOM 280 CG ASN A 18 -7.819 5.530 -19.868 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.343 4.428 -20.034 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.536 6.616 -19.991 1.00 0.00 N ATOM 0 H ASN A 18 -6.783 6.386 -17.180 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.534 3.814 -18.393 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.081 6.682 -19.313 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.730 5.328 -20.369 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.527 6.549 -20.224 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.105 7.530 -19.854 1.00 0.00 H new ATOM 289 N GLU A 19 -3.801 5.394 -17.499 1.00 0.00 N ATOM 290 CA GLU A 19 -2.346 5.264 -17.359 1.00 0.00 C ATOM 291 C GLU A 19 -1.980 3.882 -16.817 1.00 0.00 C ATOM 292 O GLU A 19 -1.075 3.221 -17.331 1.00 0.00 O ATOM 293 CB GLU A 19 -1.799 6.337 -16.406 1.00 0.00 C ATOM 294 CG GLU A 19 -0.270 6.252 -16.342 1.00 0.00 C ATOM 295 CD GLU A 19 0.248 7.177 -15.245 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.328 6.732 -14.111 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.556 8.317 -15.554 1.00 0.00 O ATOM 0 H GLU A 19 -4.205 6.183 -16.995 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.902 5.395 -18.346 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.102 7.327 -16.747 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.221 6.200 -15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.039 5.226 -16.143 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.161 6.534 -17.303 1.00 0.00 H new ATOM 304 N PHE A 20 -2.694 3.453 -15.772 1.00 0.00 N ATOM 305 CA PHE A 20 -2.438 2.150 -15.167 1.00 0.00 C ATOM 306 C PHE A 20 -3.224 1.052 -15.879 1.00 0.00 C ATOM 307 O PHE A 20 -2.683 -0.009 -16.176 1.00 0.00 O ATOM 308 CB PHE A 20 -2.836 2.154 -13.691 1.00 0.00 C ATOM 309 CG PHE A 20 -1.734 2.771 -12.864 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.720 1.965 -12.340 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.732 4.149 -12.617 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.299 2.530 -11.568 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.713 4.717 -11.844 1.00 0.00 C ATOM 314 CZ PHE A 20 0.303 3.908 -11.318 1.00 0.00 C ATOM 0 H PHE A 20 -3.446 3.985 -15.334 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.370 1.952 -15.262 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.761 2.714 -13.556 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.029 1.135 -13.354 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.724 0.902 -12.532 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.515 4.772 -13.022 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.082 1.905 -11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.710 5.780 -11.653 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.088 4.347 -10.720 1.00 0.00 H new ATOM 324 N LYS A 21 -4.510 1.313 -16.138 1.00 0.00 N ATOM 325 CA LYS A 21 -5.373 0.329 -16.804 1.00 0.00 C ATOM 326 C LYS A 21 -4.766 -0.142 -18.129 1.00 0.00 C ATOM 327 O LYS A 21 -4.882 -1.315 -18.482 1.00 0.00 O ATOM 328 CB LYS A 21 -6.765 0.914 -17.058 1.00 0.00 C ATOM 329 CG LYS A 21 -7.749 -0.208 -17.414 1.00 0.00 C ATOM 330 CD LYS A 21 -7.954 -1.128 -16.203 1.00 0.00 C ATOM 331 CE LYS A 21 -9.338 -1.779 -16.281 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.264 -3.019 -17.109 1.00 0.00 N ATOM 0 H LYS A 21 -4.974 2.189 -15.899 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.459 -0.530 -16.138 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.112 1.446 -16.172 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.721 1.641 -17.869 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.703 0.218 -17.723 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.368 -0.783 -18.258 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.181 -1.896 -16.182 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.861 -0.556 -15.279 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.694 -2.020 -15.279 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.055 -1.082 -16.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.205 -3.459 -17.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.942 -2.777 -18.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.593 -3.686 -16.676 1.00 0.00 H new ATOM 346 N ALA A 22 -4.110 0.775 -18.853 1.00 0.00 N ATOM 347 CA ALA A 22 -3.480 0.425 -20.133 1.00 0.00 C ATOM 348 C ALA A 22 -2.444 -0.680 -19.924 1.00 0.00 C ATOM 349 O ALA A 22 -2.427 -1.680 -20.643 1.00 0.00 O ATOM 350 CB ALA A 22 -2.786 1.642 -20.747 1.00 0.00 C ATOM 0 H ALA A 22 -4.002 1.752 -18.579 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.262 0.078 -20.809 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.326 1.359 -21.694 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.519 2.430 -20.920 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.017 2.005 -20.065 1.00 0.00 H new ATOM 356 N ALA A 23 -1.599 -0.492 -18.913 1.00 0.00 N ATOM 357 CA ALA A 23 -0.574 -1.478 -18.579 1.00 0.00 C ATOM 358 C ALA A 23 -1.218 -2.686 -17.899 1.00 0.00 C ATOM 359 O ALA A 23 -0.729 -3.809 -17.996 1.00 0.00 O ATOM 360 CB ALA A 23 0.458 -0.871 -17.628 1.00 0.00 C ATOM 0 H ALA A 23 -1.604 0.332 -18.312 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.081 -1.788 -19.501 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.215 -1.618 -17.388 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.932 -0.013 -18.105 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.037 -0.549 -16.712 1.00 0.00 H new ATOM 366 N PHE A 24 -2.327 -2.429 -17.205 1.00 0.00 N ATOM 367 CA PHE A 24 -3.049 -3.480 -16.499 1.00 0.00 C ATOM 368 C PHE A 24 -3.638 -4.503 -17.471 1.00 0.00 C ATOM 369 O PHE A 24 -3.578 -5.703 -17.216 1.00 0.00 O ATOM 370 CB PHE A 24 -4.187 -2.872 -15.668 1.00 0.00 C ATOM 371 CG PHE A 24 -4.629 -3.854 -14.609 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.497 -4.899 -14.941 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.171 -3.717 -13.294 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.908 -5.806 -13.959 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.580 -4.623 -12.313 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.449 -5.667 -12.644 1.00 0.00 C ATOM 0 H PHE A 24 -2.742 -1.501 -17.119 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.337 -3.985 -15.847 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.853 -1.945 -15.201 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.027 -2.619 -16.315 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.850 -5.006 -15.956 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.501 -2.910 -13.037 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.579 -6.613 -14.215 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.225 -4.517 -11.299 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.766 -6.367 -11.885 1.00 0.00 H new ATOM 386 N ASP A 25 -4.226 -4.023 -18.578 1.00 0.00 N ATOM 387 CA ASP A 25 -4.845 -4.936 -19.551 1.00 0.00 C ATOM 388 C ASP A 25 -3.806 -5.744 -20.341 1.00 0.00 C ATOM 389 O ASP A 25 -4.096 -6.854 -20.792 1.00 0.00 O ATOM 390 CB ASP A 25 -5.776 -4.184 -20.522 1.00 0.00 C ATOM 391 CG ASP A 25 -5.001 -3.193 -21.394 1.00 0.00 C ATOM 392 OD1 ASP A 25 -4.279 -3.634 -22.273 1.00 0.00 O ATOM 393 OD2 ASP A 25 -5.168 -2.005 -21.185 1.00 0.00 O ATOM 0 H ASP A 25 -4.286 -3.033 -18.818 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.441 -5.639 -18.968 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.294 -4.901 -21.158 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.539 -3.651 -19.955 1.00 0.00 H new ATOM 398 N ILE A 26 -2.599 -5.192 -20.506 1.00 0.00 N ATOM 399 CA ILE A 26 -1.546 -5.901 -21.248 1.00 0.00 C ATOM 400 C ILE A 26 -0.860 -6.941 -20.359 1.00 0.00 C ATOM 401 O ILE A 26 -0.494 -8.022 -20.823 1.00 0.00 O ATOM 402 CB ILE A 26 -0.492 -4.927 -21.803 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.073 -4.055 -20.674 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.142 -4.036 -22.863 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.230 -3.203 -21.197 1.00 0.00 C ATOM 0 H ILE A 26 -2.328 -4.277 -20.146 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.028 -6.405 -22.086 1.00 0.00 H new ATOM 0 HB ILE A 26 0.324 -5.497 -22.247 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.711 -3.412 -20.274 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.417 -4.686 -19.854 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.400 -3.343 -23.261 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.530 -4.656 -23.671 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.960 -3.473 -22.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.624 -2.588 -20.388 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.019 -3.853 -21.575 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.873 -2.560 -22.001 1.00 0.00 H new ATOM 417 N PHE A 27 -0.691 -6.604 -19.076 1.00 0.00 N ATOM 418 CA PHE A 27 -0.048 -7.520 -18.129 1.00 0.00 C ATOM 419 C PHE A 27 -0.995 -8.662 -17.741 1.00 0.00 C ATOM 420 O PHE A 27 -0.563 -9.808 -17.602 1.00 0.00 O ATOM 421 CB PHE A 27 0.402 -6.769 -16.868 1.00 0.00 C ATOM 422 CG PHE A 27 1.504 -5.784 -17.217 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.459 -6.102 -18.197 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.568 -4.547 -16.563 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.469 -5.187 -18.516 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.578 -3.633 -16.886 1.00 0.00 C ATOM 427 CZ PHE A 27 3.528 -3.953 -17.862 1.00 0.00 C ATOM 0 H PHE A 27 -0.987 -5.715 -18.673 1.00 0.00 H new ATOM 0 HA PHE A 27 0.828 -7.944 -18.621 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.444 -6.241 -16.428 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.759 -7.477 -16.121 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.414 -7.054 -18.705 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.837 -4.298 -15.808 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.203 -5.435 -19.268 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.624 -2.679 -16.381 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.307 -3.247 -18.110 1.00 0.00 H new ATOM 437 N ILE A 28 -2.291 -8.348 -17.586 1.00 0.00 N ATOM 438 CA ILE A 28 -3.280 -9.380 -17.234 1.00 0.00 C ATOM 439 C ILE A 28 -3.943 -9.970 -18.491 1.00 0.00 C ATOM 440 O ILE A 28 -4.909 -10.728 -18.387 1.00 0.00 O ATOM 441 CB ILE A 28 -4.381 -8.821 -16.308 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.302 -7.870 -17.087 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.750 -8.072 -15.133 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.576 -8.609 -17.504 1.00 0.00 C ATOM 0 H ILE A 28 -2.673 -7.409 -17.696 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.735 -10.164 -16.708 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.970 -9.656 -15.929 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.556 -7.008 -16.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.786 -7.490 -17.969 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.536 -7.682 -14.486 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.117 -8.754 -14.565 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.147 -7.246 -15.510 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.226 -7.930 -18.056 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.314 -9.457 -18.137 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.096 -8.967 -16.616 1.00 0.00 H new ATOM 456 N GLN A 29 -3.418 -9.620 -19.677 1.00 0.00 N ATOM 457 CA GLN A 29 -3.968 -10.123 -20.943 1.00 0.00 C ATOM 458 C GLN A 29 -4.175 -11.642 -20.895 1.00 0.00 C ATOM 459 O GLN A 29 -5.187 -12.157 -21.375 1.00 0.00 O ATOM 460 CB GLN A 29 -3.021 -9.782 -22.100 1.00 0.00 C ATOM 461 CG GLN A 29 -3.574 -10.345 -23.410 1.00 0.00 C ATOM 462 CD GLN A 29 -2.795 -9.765 -24.586 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.042 -10.477 -25.250 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.931 -8.501 -24.889 1.00 0.00 N ATOM 0 H GLN A 29 -2.619 -8.995 -19.784 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.934 -9.643 -21.099 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.904 -8.701 -22.179 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.032 -10.196 -21.905 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.498 -11.432 -23.411 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.632 -10.100 -23.505 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.555 -7.909 -24.340 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.414 -8.106 -25.674 1.00 0.00 H new ATOM 473 N ASP A 30 -3.207 -12.346 -20.303 1.00 0.00 N ATOM 474 CA ASP A 30 -3.283 -13.806 -20.187 1.00 0.00 C ATOM 475 C ASP A 30 -3.606 -14.229 -18.744 1.00 0.00 C ATOM 476 O ASP A 30 -3.204 -15.305 -18.295 1.00 0.00 O ATOM 477 CB ASP A 30 -1.954 -14.440 -20.620 1.00 0.00 C ATOM 478 CG ASP A 30 -2.220 -15.779 -21.304 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.603 -15.766 -22.463 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.034 -16.799 -20.659 1.00 0.00 O ATOM 0 H ASP A 30 -2.366 -11.933 -19.899 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.084 -14.154 -20.840 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.426 -13.772 -21.300 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.310 -14.586 -19.753 1.00 0.00 H new ATOM 485 N ALA A 31 -4.343 -13.371 -18.028 1.00 0.00 N ATOM 486 CA ALA A 31 -4.723 -13.657 -16.645 1.00 0.00 C ATOM 487 C ALA A 31 -6.156 -14.181 -16.578 1.00 0.00 C ATOM 488 O ALA A 31 -6.969 -13.933 -17.472 1.00 0.00 O ATOM 489 CB ALA A 31 -4.615 -12.394 -15.785 1.00 0.00 C ATOM 0 H ALA A 31 -4.685 -12.478 -18.384 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.041 -14.417 -16.263 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.902 -12.627 -14.759 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.588 -12.030 -15.801 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.279 -11.626 -16.182 1.00 0.00 H new ATOM 495 N GLU A 32 -6.452 -14.901 -15.498 1.00 0.00 N ATOM 496 CA GLU A 32 -7.791 -15.463 -15.293 1.00 0.00 C ATOM 497 C GLU A 32 -8.310 -15.105 -13.896 1.00 0.00 C ATOM 498 O GLU A 32 -8.944 -15.922 -13.222 1.00 0.00 O ATOM 499 CB GLU A 32 -7.764 -16.990 -15.460 1.00 0.00 C ATOM 500 CG GLU A 32 -6.672 -17.597 -14.568 1.00 0.00 C ATOM 501 CD GLU A 32 -7.179 -18.894 -13.945 1.00 0.00 C ATOM 502 OE1 GLU A 32 -7.774 -18.824 -12.881 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.963 -19.938 -14.539 1.00 0.00 O ATOM 0 H GLU A 32 -5.788 -15.110 -14.753 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.459 -15.037 -16.041 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.735 -17.410 -15.197 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.578 -17.247 -16.503 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.775 -17.791 -15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.394 -16.891 -13.786 1.00 0.00 H new ATOM 510 N ASP A 33 -8.026 -13.869 -13.467 1.00 0.00 N ATOM 511 CA ASP A 33 -8.458 -13.403 -12.145 1.00 0.00 C ATOM 512 C ASP A 33 -8.788 -11.910 -12.167 1.00 0.00 C ATOM 513 O ASP A 33 -9.846 -11.491 -11.693 1.00 0.00 O ATOM 514 CB ASP A 33 -7.361 -13.658 -11.103 1.00 0.00 C ATOM 515 CG ASP A 33 -7.244 -15.157 -10.834 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.049 -15.669 -10.075 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.351 -15.772 -11.396 1.00 0.00 O ATOM 0 H ASP A 33 -7.505 -13.181 -14.010 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.356 -13.960 -11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.408 -13.268 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.595 -13.130 -10.178 1.00 0.00 H new ATOM 522 N GLY A 34 -7.867 -11.113 -12.716 1.00 0.00 N ATOM 523 CA GLY A 34 -8.058 -9.663 -12.793 1.00 0.00 C ATOM 524 C GLY A 34 -7.005 -8.933 -11.961 1.00 0.00 C ATOM 525 O GLY A 34 -7.311 -7.972 -11.252 1.00 0.00 O ATOM 0 H GLY A 34 -6.987 -11.445 -13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.997 -9.338 -13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.055 -9.403 -12.436 1.00 0.00 H new ATOM 529 N CYS A 35 -5.759 -9.408 -12.055 1.00 0.00 N ATOM 530 CA CYS A 35 -4.650 -8.806 -11.311 1.00 0.00 C ATOM 531 C CYS A 35 -3.320 -9.117 -11.997 1.00 0.00 C ATOM 532 O CYS A 35 -3.150 -10.181 -12.599 1.00 0.00 O ATOM 533 CB CYS A 35 -4.610 -9.335 -9.874 1.00 0.00 C ATOM 534 SG CYS A 35 -4.685 -11.146 -9.882 1.00 0.00 S ATOM 0 H CYS A 35 -5.495 -10.204 -12.636 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.806 -7.727 -11.290 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.697 -9.002 -9.380 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.447 -8.930 -9.305 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.116 -11.599 -10.959 1.00 0.00 H new ATOM 540 N ILE A 36 -2.374 -8.181 -11.891 1.00 0.00 N ATOM 541 CA ILE A 36 -1.052 -8.369 -12.497 1.00 0.00 C ATOM 542 C ILE A 36 -0.120 -9.047 -11.494 1.00 0.00 C ATOM 543 O ILE A 36 -0.494 -9.273 -10.343 1.00 0.00 O ATOM 544 CB ILE A 36 -0.442 -7.024 -12.938 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.125 -6.164 -11.707 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.428 -6.275 -13.841 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.373 -6.242 -11.399 1.00 0.00 C ATOM 0 H ILE A 36 -2.495 -7.296 -11.398 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.169 -8.997 -13.380 1.00 0.00 H new ATOM 0 HB ILE A 36 0.478 -7.219 -13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.416 -5.129 -11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.702 -6.511 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.990 -5.325 -14.149 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.644 -6.878 -14.723 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.352 -6.088 -13.294 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.597 -5.631 -10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.650 -7.277 -11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.940 -5.874 -12.254 1.00 0.00 H new ATOM 559 N SER A 37 1.097 -9.365 -11.934 1.00 0.00 N ATOM 560 CA SER A 37 2.060 -10.012 -11.048 1.00 0.00 C ATOM 561 C SER A 37 2.932 -8.968 -10.354 1.00 0.00 C ATOM 562 O SER A 37 3.647 -8.206 -11.006 1.00 0.00 O ATOM 563 CB SER A 37 2.956 -10.975 -11.832 1.00 0.00 C ATOM 564 OG SER A 37 3.553 -11.899 -10.930 1.00 0.00 O ATOM 0 H SER A 37 1.434 -9.189 -12.880 1.00 0.00 H new ATOM 0 HA SER A 37 1.501 -10.573 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.370 -11.507 -12.581 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.727 -10.420 -12.366 1.00 0.00 H new ATOM 0 HG SER A 37 4.126 -12.519 -11.428 1.00 0.00 H new ATOM 570 N THR A 38 2.877 -8.948 -9.023 1.00 0.00 N ATOM 571 CA THR A 38 3.685 -8.003 -8.240 1.00 0.00 C ATOM 572 C THR A 38 5.162 -8.147 -8.609 1.00 0.00 C ATOM 573 O THR A 38 5.912 -7.173 -8.621 1.00 0.00 O ATOM 574 CB THR A 38 3.520 -8.256 -6.737 1.00 0.00 C ATOM 575 OG1 THR A 38 3.897 -9.592 -6.432 1.00 0.00 O ATOM 576 CG2 THR A 38 2.061 -8.033 -6.343 1.00 0.00 C ATOM 0 H THR A 38 2.289 -9.567 -8.465 1.00 0.00 H new ATOM 0 HA THR A 38 3.341 -6.995 -8.470 1.00 0.00 H new ATOM 0 HB THR A 38 4.157 -7.568 -6.181 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.253 -9.631 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.941 -8.212 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.775 -7.007 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.425 -8.721 -6.900 1.00 0.00 H new ATOM 584 N LYS A 39 5.561 -9.383 -8.922 1.00 0.00 N ATOM 585 CA LYS A 39 6.945 -9.668 -9.313 1.00 0.00 C ATOM 586 C LYS A 39 7.261 -9.029 -10.666 1.00 0.00 C ATOM 587 O LYS A 39 8.389 -8.596 -10.911 1.00 0.00 O ATOM 588 CB LYS A 39 7.177 -11.181 -9.417 1.00 0.00 C ATOM 589 CG LYS A 39 6.739 -11.861 -8.118 1.00 0.00 C ATOM 590 CD LYS A 39 6.312 -13.300 -8.413 1.00 0.00 C ATOM 591 CE LYS A 39 5.616 -13.890 -7.184 1.00 0.00 C ATOM 592 NZ LYS A 39 6.637 -14.457 -6.256 1.00 0.00 N ATOM 0 H LYS A 39 4.949 -10.199 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 39 7.599 -9.251 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.616 -11.588 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.231 -11.385 -9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.557 -11.854 -7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.913 -11.311 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.639 -13.322 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.182 -13.902 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.037 -13.119 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.915 -14.667 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.163 -14.858 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.171 -15.205 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.289 -13.705 -5.956 1.00 0.00 H new ATOM 606 N GLU A 40 6.249 -8.973 -11.543 1.00 0.00 N ATOM 607 CA GLU A 40 6.424 -8.383 -12.875 1.00 0.00 C ATOM 608 C GLU A 40 6.337 -6.844 -12.841 1.00 0.00 C ATOM 609 O GLU A 40 6.356 -6.201 -13.892 1.00 0.00 O ATOM 610 CB GLU A 40 5.374 -8.941 -13.857 1.00 0.00 C ATOM 611 CG GLU A 40 4.054 -8.160 -13.754 1.00 0.00 C ATOM 612 CD GLU A 40 3.690 -7.584 -15.119 1.00 0.00 C ATOM 613 OE1 GLU A 40 3.158 -8.325 -15.929 1.00 0.00 O ATOM 614 OE2 GLU A 40 3.947 -6.410 -15.334 1.00 0.00 O ATOM 0 H GLU A 40 5.310 -9.325 -11.356 1.00 0.00 H new ATOM 0 HA GLU A 40 7.422 -8.656 -13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.757 -8.883 -14.876 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.195 -9.995 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.258 -8.816 -13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.151 -7.357 -13.024 1.00 0.00 H new ATOM 621 N LEU A 41 6.249 -6.256 -11.632 1.00 0.00 N ATOM 622 CA LEU A 41 6.167 -4.794 -11.499 1.00 0.00 C ATOM 623 C LEU A 41 7.321 -4.096 -12.229 1.00 0.00 C ATOM 624 O LEU A 41 7.207 -2.928 -12.589 1.00 0.00 O ATOM 625 CB LEU A 41 6.185 -4.370 -10.024 1.00 0.00 C ATOM 626 CG LEU A 41 4.925 -3.642 -9.524 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.789 -2.288 -10.226 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.681 -4.489 -9.817 1.00 0.00 C ATOM 0 H LEU A 41 6.233 -6.764 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 41 5.223 -4.491 -11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.336 -5.259 -9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.046 -3.721 -9.862 1.00 0.00 H new ATOM 0 HG LEU A 41 5.015 -3.486 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.894 -1.780 -9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.665 -1.677 -10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.710 -2.442 -11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.793 -3.967 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.598 -4.654 -10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.766 -5.449 -9.308 1.00 0.00 H new ATOM 640 N GLY A 42 8.428 -4.821 -12.458 1.00 0.00 N ATOM 641 CA GLY A 42 9.576 -4.247 -13.168 1.00 0.00 C ATOM 642 C GLY A 42 9.154 -3.736 -14.549 1.00 0.00 C ATOM 643 O GLY A 42 9.610 -2.682 -15.000 1.00 0.00 O ATOM 0 H GLY A 42 8.549 -5.791 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.999 -3.429 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.357 -4.999 -13.276 1.00 0.00 H new ATOM 647 N LYS A 43 8.259 -4.489 -15.206 1.00 0.00 N ATOM 648 CA LYS A 43 7.749 -4.105 -16.530 1.00 0.00 C ATOM 649 C LYS A 43 6.802 -2.903 -16.420 1.00 0.00 C ATOM 650 O LYS A 43 6.575 -2.186 -17.397 1.00 0.00 O ATOM 651 CB LYS A 43 6.985 -5.268 -17.178 1.00 0.00 C ATOM 652 CG LYS A 43 7.914 -6.474 -17.339 1.00 0.00 C ATOM 653 CD LYS A 43 7.167 -7.606 -18.047 1.00 0.00 C ATOM 654 CE LYS A 43 7.846 -8.945 -17.737 1.00 0.00 C ATOM 655 NZ LYS A 43 9.160 -9.018 -18.441 1.00 0.00 N ATOM 0 H LYS A 43 7.876 -5.362 -14.844 1.00 0.00 H new ATOM 0 HA LYS A 43 8.609 -3.841 -17.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.126 -5.538 -16.563 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.598 -4.964 -18.150 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.796 -6.192 -17.913 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.263 -6.810 -16.363 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.128 -7.630 -17.719 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.158 -7.432 -19.123 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.992 -9.049 -16.662 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.207 -9.770 -18.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.594 -9.947 -18.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.014 -8.887 -19.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.788 -8.271 -18.082 1.00 0.00 H new ATOM 669 N VAL A 44 6.256 -2.693 -15.218 1.00 0.00 N ATOM 670 CA VAL A 44 5.339 -1.580 -14.972 1.00 0.00 C ATOM 671 C VAL A 44 6.126 -0.329 -14.602 1.00 0.00 C ATOM 672 O VAL A 44 5.872 0.753 -15.126 1.00 0.00 O ATOM 673 CB VAL A 44 4.381 -1.897 -13.820 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.229 -0.893 -13.837 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.829 -3.319 -13.964 1.00 0.00 C ATOM 0 H VAL A 44 6.434 -3.279 -14.402 1.00 0.00 H new ATOM 0 HA VAL A 44 4.767 -1.418 -15.886 1.00 0.00 H new ATOM 0 HB VAL A 44 4.920 -1.826 -12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.543 -1.113 -13.019 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.624 0.116 -13.718 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.698 -0.965 -14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.150 -3.531 -13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.291 -3.407 -14.908 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.653 -4.032 -13.948 1.00 0.00 H new ATOM 685 N MET A 45 7.082 -0.498 -13.684 1.00 0.00 N ATOM 686 CA MET A 45 7.916 0.613 -13.228 1.00 0.00 C ATOM 687 C MET A 45 8.552 1.328 -14.417 1.00 0.00 C ATOM 688 O MET A 45 8.564 2.555 -14.475 1.00 0.00 O ATOM 689 CB MET A 45 9.025 0.111 -12.295 1.00 0.00 C ATOM 690 CG MET A 45 8.801 0.666 -10.886 1.00 0.00 C ATOM 691 SD MET A 45 7.851 -0.528 -9.911 1.00 0.00 S ATOM 692 CE MET A 45 7.039 0.662 -8.815 1.00 0.00 C ATOM 0 H MET A 45 7.296 -1.393 -13.244 1.00 0.00 H new ATOM 0 HA MET A 45 7.276 1.309 -12.685 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.029 -0.979 -12.271 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.999 0.425 -12.670 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.759 0.864 -10.405 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.268 1.615 -10.938 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.392 0.131 -8.117 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.794 1.218 -8.259 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.442 1.355 -9.408 1.00 0.00 H new ATOM 702 N ARG A 46 9.065 0.546 -15.372 1.00 0.00 N ATOM 703 CA ARG A 46 9.692 1.128 -16.567 1.00 0.00 C ATOM 704 C ARG A 46 8.669 1.930 -17.382 1.00 0.00 C ATOM 705 O ARG A 46 9.008 2.940 -18.001 1.00 0.00 O ATOM 706 CB ARG A 46 10.313 0.037 -17.453 1.00 0.00 C ATOM 707 CG ARG A 46 9.243 -0.976 -17.878 1.00 0.00 C ATOM 708 CD ARG A 46 9.810 -1.900 -18.958 1.00 0.00 C ATOM 709 NE ARG A 46 10.850 -2.772 -18.406 1.00 0.00 N ATOM 710 CZ ARG A 46 11.537 -3.624 -19.178 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.288 -3.715 -20.463 1.00 0.00 N ATOM 712 NH2 ARG A 46 12.465 -4.376 -18.644 1.00 0.00 N ATOM 0 H ARG A 46 9.061 -0.474 -15.345 1.00 0.00 H new ATOM 0 HA ARG A 46 10.483 1.797 -16.229 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.766 0.489 -18.335 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.110 -0.472 -16.911 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.920 -1.562 -17.017 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.364 -0.454 -18.256 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.009 -2.506 -19.381 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.223 -1.304 -19.772 1.00 0.00 H new ATOM 0 HE ARG A 46 11.056 -2.729 -17.408 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.564 -3.133 -20.885 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.818 -4.368 -21.040 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.662 -4.311 -17.645 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.992 -5.027 -19.226 1.00 0.00 H new ATOM 726 N MET A 47 7.411 1.473 -17.361 1.00 0.00 N ATOM 727 CA MET A 47 6.334 2.154 -18.087 1.00 0.00 C ATOM 728 C MET A 47 5.870 3.400 -17.325 1.00 0.00 C ATOM 729 O MET A 47 5.465 4.394 -17.931 1.00 0.00 O ATOM 730 CB MET A 47 5.135 1.216 -18.275 1.00 0.00 C ATOM 731 CG MET A 47 5.450 0.186 -19.363 1.00 0.00 C ATOM 732 SD MET A 47 4.888 0.809 -20.968 1.00 0.00 S ATOM 733 CE MET A 47 6.436 1.605 -21.465 1.00 0.00 C ATOM 0 H MET A 47 7.116 0.640 -16.852 1.00 0.00 H new ATOM 0 HA MET A 47 6.726 2.448 -19.061 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.907 0.710 -17.337 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.251 1.791 -18.550 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.522 -0.011 -19.393 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.958 -0.760 -19.136 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.610 1.431 -22.527 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.370 2.677 -21.278 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.262 1.187 -20.889 1.00 0.00 H new ATOM 743 N LEU A 48 5.937 3.334 -15.991 1.00 0.00 N ATOM 744 CA LEU A 48 5.526 4.460 -15.147 1.00 0.00 C ATOM 745 C LEU A 48 6.592 5.560 -15.156 1.00 0.00 C ATOM 746 O LEU A 48 6.278 6.743 -15.014 1.00 0.00 O ATOM 747 CB LEU A 48 5.302 3.990 -13.704 1.00 0.00 C ATOM 748 CG LEU A 48 3.872 3.539 -13.362 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.305 2.679 -14.496 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.895 2.718 -12.067 1.00 0.00 C ATOM 0 H LEU A 48 6.269 2.519 -15.476 1.00 0.00 H new ATOM 0 HA LEU A 48 4.595 4.860 -15.550 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.982 3.163 -13.502 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.578 4.801 -13.030 1.00 0.00 H new ATOM 0 HG LEU A 48 3.242 4.419 -13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.292 2.365 -14.243 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.285 3.260 -15.418 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.933 1.799 -14.635 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.883 2.397 -11.822 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.531 1.843 -12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.288 3.330 -11.255 1.00 0.00 H new ATOM 762 N GLY A 49 7.853 5.152 -15.331 1.00 0.00 N ATOM 763 CA GLY A 49 8.970 6.102 -15.366 1.00 0.00 C ATOM 764 C GLY A 49 9.954 5.866 -14.215 1.00 0.00 C ATOM 765 O GLY A 49 10.591 6.804 -13.733 1.00 0.00 O ATOM 0 H GLY A 49 8.125 4.176 -15.450 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.495 6.011 -16.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.584 7.120 -15.311 1.00 0.00 H new ATOM 769 N GLN A 50 10.077 4.605 -13.786 1.00 0.00 N ATOM 770 CA GLN A 50 10.989 4.249 -12.693 1.00 0.00 C ATOM 771 C GLN A 50 11.827 3.027 -13.080 1.00 0.00 C ATOM 772 O GLN A 50 11.454 2.264 -13.973 1.00 0.00 O ATOM 773 CB GLN A 50 10.206 3.921 -11.412 1.00 0.00 C ATOM 774 CG GLN A 50 9.157 5.007 -11.130 1.00 0.00 C ATOM 775 CD GLN A 50 9.843 6.316 -10.741 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.819 6.317 -9.988 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.382 7.444 -11.210 1.00 0.00 N ATOM 0 H GLN A 50 9.560 3.818 -14.176 1.00 0.00 H new ATOM 0 HA GLN A 50 11.639 5.105 -12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.717 2.953 -11.516 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.893 3.843 -10.569 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.537 5.162 -12.013 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.494 4.683 -10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.575 7.445 -11.833 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.829 8.324 -10.953 1.00 0.00 H new ATOM 786 N ASN A 51 12.960 2.848 -12.396 1.00 0.00 N ATOM 787 CA ASN A 51 13.841 1.708 -12.676 1.00 0.00 C ATOM 788 C ASN A 51 14.576 1.261 -11.404 1.00 0.00 C ATOM 789 O ASN A 51 15.803 1.341 -11.316 1.00 0.00 O ATOM 790 CB ASN A 51 14.864 2.069 -13.768 1.00 0.00 C ATOM 791 CG ASN A 51 15.490 3.434 -13.477 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.880 4.472 -13.736 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.684 3.496 -12.952 1.00 0.00 N ATOM 0 H ASN A 51 13.287 3.467 -11.654 1.00 0.00 H new ATOM 0 HA ASN A 51 13.220 0.885 -13.030 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.642 1.307 -13.814 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.376 2.085 -14.742 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.109 4.403 -12.757 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.192 2.638 -12.736 1.00 0.00 H new ATOM 800 N PRO A 52 13.826 0.782 -10.400 1.00 0.00 N ATOM 801 CA PRO A 52 14.408 0.320 -9.125 1.00 0.00 C ATOM 802 C PRO A 52 14.874 -1.140 -9.187 1.00 0.00 C ATOM 803 O PRO A 52 15.081 -1.694 -10.269 1.00 0.00 O ATOM 804 CB PRO A 52 13.228 0.474 -8.168 1.00 0.00 C ATOM 805 CG PRO A 52 11.961 0.402 -9.009 1.00 0.00 C ATOM 806 CD PRO A 52 12.354 0.673 -10.466 1.00 0.00 C ATOM 0 HA PRO A 52 15.300 0.876 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.237 -0.314 -7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.284 1.424 -7.636 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.494 -0.578 -8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.232 1.136 -8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.039 -0.135 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.898 1.589 -10.843 1.00 0.00 H new ATOM 814 N THR A 53 15.024 -1.754 -8.012 1.00 0.00 N ATOM 815 CA THR A 53 15.454 -3.151 -7.924 1.00 0.00 C ATOM 816 C THR A 53 14.244 -4.037 -7.601 1.00 0.00 C ATOM 817 O THR A 53 13.162 -3.524 -7.307 1.00 0.00 O ATOM 818 CB THR A 53 16.529 -3.313 -6.828 1.00 0.00 C ATOM 819 OG1 THR A 53 15.907 -3.468 -5.560 1.00 0.00 O ATOM 820 CG2 THR A 53 17.437 -2.083 -6.795 1.00 0.00 C ATOM 0 H THR A 53 14.855 -1.308 -7.111 1.00 0.00 H new ATOM 0 HA THR A 53 15.883 -3.453 -8.880 1.00 0.00 H new ATOM 0 HB THR A 53 17.126 -4.197 -7.053 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.594 -3.572 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.191 -2.208 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.927 -1.967 -7.762 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.840 -1.196 -6.582 1.00 0.00 H new ATOM 828 N PRO A 54 14.406 -5.369 -7.633 1.00 0.00 N ATOM 829 CA PRO A 54 13.295 -6.294 -7.319 1.00 0.00 C ATOM 830 C PRO A 54 12.957 -6.300 -5.827 1.00 0.00 C ATOM 831 O PRO A 54 11.810 -6.538 -5.442 1.00 0.00 O ATOM 832 CB PRO A 54 13.838 -7.639 -7.790 1.00 0.00 C ATOM 833 CG PRO A 54 15.354 -7.522 -7.803 1.00 0.00 C ATOM 834 CD PRO A 54 15.686 -6.036 -7.963 1.00 0.00 C ATOM 0 HA PRO A 54 12.357 -6.018 -7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.518 -8.440 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.461 -7.882 -8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.779 -7.915 -6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.779 -8.103 -8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.487 -5.727 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.013 -5.803 -8.976 1.00 0.00 H new ATOM 842 N GLU A 55 13.962 -6.000 -4.997 1.00 0.00 N ATOM 843 CA GLU A 55 13.760 -5.936 -3.551 1.00 0.00 C ATOM 844 C GLU A 55 13.144 -4.585 -3.172 1.00 0.00 C ATOM 845 O GLU A 55 12.340 -4.493 -2.244 1.00 0.00 O ATOM 846 CB GLU A 55 15.089 -6.109 -2.809 1.00 0.00 C ATOM 847 CG GLU A 55 15.541 -7.570 -2.892 1.00 0.00 C ATOM 848 CD GLU A 55 16.702 -7.803 -1.929 1.00 0.00 C ATOM 849 OE1 GLU A 55 16.440 -8.132 -0.784 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.837 -7.652 -2.352 1.00 0.00 O ATOM 0 H GLU A 55 14.915 -5.800 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 55 13.087 -6.744 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.847 -5.459 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.976 -5.812 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.711 -8.232 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.847 -7.809 -3.911 1.00 0.00 H new ATOM 857 N GLU A 56 13.537 -3.535 -3.914 1.00 0.00 N ATOM 858 CA GLU A 56 13.029 -2.183 -3.665 1.00 0.00 C ATOM 859 C GLU A 56 11.571 -2.053 -4.108 1.00 0.00 C ATOM 860 O GLU A 56 10.761 -1.441 -3.416 1.00 0.00 O ATOM 861 CB GLU A 56 13.873 -1.152 -4.422 1.00 0.00 C ATOM 862 CG GLU A 56 13.826 0.193 -3.689 1.00 0.00 C ATOM 863 CD GLU A 56 15.060 1.014 -4.053 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.043 1.642 -5.099 1.00 0.00 O ATOM 865 OE2 GLU A 56 16.005 1.000 -3.281 1.00 0.00 O ATOM 0 H GLU A 56 14.201 -3.600 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 56 13.092 -1.998 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.903 -1.498 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.497 -1.036 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.921 0.736 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.788 0.031 -2.612 1.00 0.00 H new ATOM 872 N LEU A 57 11.245 -2.629 -5.270 1.00 0.00 N ATOM 873 CA LEU A 57 9.879 -2.561 -5.790 1.00 0.00 C ATOM 874 C LEU A 57 8.928 -3.448 -4.980 1.00 0.00 C ATOM 875 O LEU A 57 7.738 -3.147 -4.864 1.00 0.00 O ATOM 876 CB LEU A 57 9.840 -2.983 -7.266 1.00 0.00 C ATOM 877 CG LEU A 57 10.153 -4.459 -7.555 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.877 -5.301 -7.430 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.701 -4.587 -8.979 1.00 0.00 C ATOM 0 H LEU A 57 11.900 -3.141 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 57 9.549 -1.526 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.849 -2.759 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.550 -2.367 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 57 10.891 -4.816 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.109 -6.346 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.479 -5.211 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.135 -4.946 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.925 -5.633 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.957 -4.225 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.611 -3.995 -9.073 1.00 0.00 H new ATOM 891 N GLN A 58 9.459 -4.547 -4.426 1.00 0.00 N ATOM 892 CA GLN A 58 8.635 -5.470 -3.639 1.00 0.00 C ATOM 893 C GLN A 58 8.076 -4.792 -2.385 1.00 0.00 C ATOM 894 O GLN A 58 6.908 -4.979 -2.047 1.00 0.00 O ATOM 895 CB GLN A 58 9.441 -6.706 -3.222 1.00 0.00 C ATOM 896 CG GLN A 58 8.966 -7.923 -4.026 1.00 0.00 C ATOM 897 CD GLN A 58 7.522 -8.262 -3.650 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.264 -8.787 -2.567 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.556 -7.987 -4.489 1.00 0.00 N ATOM 0 H GLN A 58 10.440 -4.814 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 58 7.805 -5.776 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.504 -6.535 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.317 -6.891 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.034 -7.714 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.613 -8.777 -3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.769 -7.552 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.590 -8.208 -4.245 1.00 0.00 H new ATOM 908 N GLU A 59 8.914 -4.003 -1.699 1.00 0.00 N ATOM 909 CA GLU A 59 8.467 -3.307 -0.484 1.00 0.00 C ATOM 910 C GLU A 59 7.372 -2.280 -0.807 1.00 0.00 C ATOM 911 O GLU A 59 6.511 -1.998 0.029 1.00 0.00 O ATOM 912 CB GLU A 59 9.644 -2.614 0.220 1.00 0.00 C ATOM 913 CG GLU A 59 10.225 -1.506 -0.667 1.00 0.00 C ATOM 914 CD GLU A 59 10.389 -0.228 0.150 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.420 0.505 0.267 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.480 0.000 0.647 1.00 0.00 O ATOM 0 H GLU A 59 9.886 -3.832 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 59 8.052 -4.058 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.310 -2.191 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.418 -3.345 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.188 -1.817 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.567 -1.324 -1.517 1.00 0.00 H new ATOM 923 N MET A 60 7.401 -1.741 -2.033 1.00 0.00 N ATOM 924 CA MET A 60 6.391 -0.765 -2.461 1.00 0.00 C ATOM 925 C MET A 60 5.078 -1.476 -2.781 1.00 0.00 C ATOM 926 O MET A 60 3.994 -0.911 -2.620 1.00 0.00 O ATOM 927 CB MET A 60 6.853 0.004 -3.706 1.00 0.00 C ATOM 928 CG MET A 60 8.278 0.519 -3.499 1.00 0.00 C ATOM 929 SD MET A 60 8.603 1.885 -4.642 1.00 0.00 S ATOM 930 CE MET A 60 10.274 1.389 -5.129 1.00 0.00 C ATOM 0 H MET A 60 8.104 -1.961 -2.738 1.00 0.00 H new ATOM 0 HA MET A 60 6.246 -0.059 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.815 -0.646 -4.581 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.180 0.839 -3.899 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.408 0.854 -2.470 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.994 -0.286 -3.665 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.843 2.270 -5.427 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.769 0.905 -4.288 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.218 0.693 -5.966 1.00 0.00 H new ATOM 940 N ILE A 61 5.191 -2.728 -3.225 1.00 0.00 N ATOM 941 CA ILE A 61 4.014 -3.531 -3.552 1.00 0.00 C ATOM 942 C ILE A 61 3.399 -4.097 -2.272 1.00 0.00 C ATOM 943 O ILE A 61 2.186 -4.073 -2.091 1.00 0.00 O ATOM 944 CB ILE A 61 4.396 -4.692 -4.476 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.872 -4.139 -5.822 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.183 -5.598 -4.701 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.852 -5.127 -6.455 1.00 0.00 C ATOM 0 H ILE A 61 6.081 -3.206 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 61 3.292 -2.891 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 61 5.196 -5.269 -4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.021 -3.978 -6.484 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.353 -3.171 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.461 -6.422 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.844 -5.996 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.379 -5.022 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.193 -4.737 -7.414 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.708 -5.265 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.355 -6.085 -6.609 1.00 0.00 H new ATOM 959 N ASP A 62 4.259 -4.610 -1.394 1.00 0.00 N ATOM 960 CA ASP A 62 3.805 -5.188 -0.126 1.00 0.00 C ATOM 961 C ASP A 62 3.013 -4.163 0.698 1.00 0.00 C ATOM 962 O ASP A 62 1.974 -4.493 1.273 1.00 0.00 O ATOM 963 CB ASP A 62 5.001 -5.682 0.695 1.00 0.00 C ATOM 964 CG ASP A 62 4.513 -6.587 1.825 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.266 -7.752 1.559 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.395 -6.100 2.937 1.00 0.00 O ATOM 0 H ASP A 62 5.269 -4.638 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 62 3.152 -6.029 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.694 -6.227 0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.547 -4.833 1.106 1.00 0.00 H new ATOM 971 N GLU A 63 3.515 -2.923 0.754 1.00 0.00 N ATOM 972 CA GLU A 63 2.844 -1.864 1.519 1.00 0.00 C ATOM 973 C GLU A 63 1.461 -1.533 0.938 1.00 0.00 C ATOM 974 O GLU A 63 0.514 -1.281 1.686 1.00 0.00 O ATOM 975 CB GLU A 63 3.707 -0.594 1.555 1.00 0.00 C ATOM 976 CG GLU A 63 3.909 -0.042 0.141 1.00 0.00 C ATOM 977 CD GLU A 63 4.736 1.239 0.201 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.940 1.138 0.381 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.154 2.303 0.064 1.00 0.00 O ATOM 0 H GLU A 63 4.372 -2.630 0.285 1.00 0.00 H new ATOM 0 HA GLU A 63 2.707 -2.236 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.229 0.160 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.674 -0.817 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.413 -0.783 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.943 0.159 -0.323 1.00 0.00 H new ATOM 986 N VAL A 64 1.351 -1.537 -0.397 1.00 0.00 N ATOM 987 CA VAL A 64 0.070 -1.233 -1.054 1.00 0.00 C ATOM 988 C VAL A 64 -0.856 -2.457 -1.053 1.00 0.00 C ATOM 989 O VAL A 64 -2.079 -2.315 -0.969 1.00 0.00 O ATOM 990 CB VAL A 64 0.288 -0.755 -2.504 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.973 -1.847 -3.328 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.062 -0.420 -3.145 1.00 0.00 C ATOM 0 H VAL A 64 2.119 -1.744 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.402 -0.432 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 64 0.922 0.132 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.120 -1.494 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.939 -2.086 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.348 -2.740 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.905 -0.083 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.694 -1.308 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.550 0.370 -2.574 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.269 -3.656 -1.147 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.060 -4.882 -1.155 1.00 0.00 C ATOM 1004 C ASP A 65 -1.617 -5.148 0.239 1.00 0.00 C ATOM 1005 O ASP A 65 -0.869 -5.380 1.194 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.215 -6.079 -1.613 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.952 -6.834 -2.716 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.731 -7.716 -2.390 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.730 -6.517 -3.875 1.00 0.00 O ATOM 0 H ASP A 65 0.739 -3.798 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.883 -4.753 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.753 -5.735 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.021 -6.743 -0.771 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.943 -5.093 0.341 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.628 -5.309 1.620 1.00 0.00 C ATOM 1016 C GLU A 66 -3.383 -6.723 2.144 1.00 0.00 C ATOM 1017 O GLU A 66 -3.039 -6.912 3.312 1.00 0.00 O ATOM 1018 CB GLU A 66 -5.140 -5.096 1.470 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.411 -3.741 0.811 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.906 -3.436 0.859 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.598 -3.817 -0.070 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.335 -2.825 1.825 1.00 0.00 O ATOM 0 H GLU A 66 -3.566 -4.901 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.223 -4.586 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.571 -5.896 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.621 -5.138 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.853 -2.958 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.065 -3.753 -0.223 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.573 -7.712 1.270 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.383 -9.113 1.659 1.00 0.00 C ATOM 1031 C ASP A 67 -1.981 -9.624 1.296 1.00 0.00 C ATOM 1032 O ASP A 67 -1.449 -10.510 1.966 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.455 -10.003 1.009 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.144 -10.231 -0.468 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.164 -9.269 -1.223 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.897 -11.369 -0.822 1.00 0.00 O ATOM 0 H ASP A 67 -3.855 -7.574 0.299 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.484 -9.164 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.503 -10.961 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.434 -9.535 1.112 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.389 -9.063 0.236 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.052 -9.478 -0.193 1.00 0.00 C ATOM 1043 C GLY A 68 -0.096 -10.833 -0.899 1.00 0.00 C ATOM 1044 O GLY A 68 0.703 -11.725 -0.604 1.00 0.00 O ATOM 0 H GLY A 68 -1.810 -8.329 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.367 -8.728 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.609 -9.536 0.672 1.00 0.00 H new ATOM 1048 N SER A 69 -1.040 -10.974 -1.832 1.00 0.00 N ATOM 1049 CA SER A 69 -1.195 -12.228 -2.586 1.00 0.00 C ATOM 1050 C SER A 69 -0.127 -12.385 -3.678 1.00 0.00 C ATOM 1051 O SER A 69 -0.060 -13.426 -4.335 1.00 0.00 O ATOM 1052 CB SER A 69 -2.574 -12.295 -3.259 1.00 0.00 C ATOM 1053 OG SER A 69 -3.015 -10.980 -3.590 1.00 0.00 O ATOM 0 H SER A 69 -1.706 -10.244 -2.085 1.00 0.00 H new ATOM 0 HA SER A 69 -1.084 -13.033 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.520 -12.908 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.292 -12.772 -2.591 1.00 0.00 H new ATOM 0 HG SER A 69 -2.951 -10.848 -4.559 1.00 0.00 H new ATOM 1059 N GLY A 70 0.693 -11.347 -3.892 1.00 0.00 N ATOM 1060 CA GLY A 70 1.718 -11.401 -4.930 1.00 0.00 C ATOM 1061 C GLY A 70 1.138 -10.965 -6.279 1.00 0.00 C ATOM 1062 O GLY A 70 1.711 -11.247 -7.333 1.00 0.00 O ATOM 0 H GLY A 70 0.664 -10.474 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.552 -10.754 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.113 -12.414 -5.007 1.00 0.00 H new ATOM 1066 N THR A 71 -0.010 -10.272 -6.230 1.00 0.00 N ATOM 1067 CA THR A 71 -0.671 -9.794 -7.443 1.00 0.00 C ATOM 1068 C THR A 71 -1.302 -8.427 -7.189 1.00 0.00 C ATOM 1069 O THR A 71 -1.929 -8.201 -6.149 1.00 0.00 O ATOM 1070 CB THR A 71 -1.760 -10.777 -7.899 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.818 -10.802 -6.944 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.163 -12.180 -8.042 1.00 0.00 C ATOM 0 H THR A 71 -0.494 -10.033 -5.365 1.00 0.00 H new ATOM 0 HA THR A 71 0.081 -9.714 -8.228 1.00 0.00 H new ATOM 0 HB THR A 71 -2.153 -10.453 -8.863 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.675 -10.901 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.939 -12.874 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.362 -12.161 -8.781 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.763 -12.505 -7.081 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.127 -7.515 -8.145 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.679 -6.168 -8.011 1.00 0.00 C ATOM 1082 C VAL A 72 -2.981 -6.034 -8.794 1.00 0.00 C ATOM 1083 O VAL A 72 -3.008 -6.203 -10.014 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.699 -5.109 -8.527 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.152 -3.723 -8.056 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.708 -5.388 -7.991 1.00 0.00 C ATOM 0 H VAL A 72 -0.614 -7.681 -9.011 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.863 -6.007 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.681 -5.143 -9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.456 -2.969 -8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.149 -3.515 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.174 -3.698 -6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.396 -4.630 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.694 -5.361 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.036 -6.372 -8.326 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.049 -5.692 -8.081 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.349 -5.490 -8.716 1.00 0.00 C ATOM 1098 C ASP A 73 -5.430 -4.045 -9.201 1.00 0.00 C ATOM 1099 O ASP A 73 -4.579 -3.229 -8.853 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.485 -5.764 -7.725 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.546 -7.259 -7.416 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.785 -7.702 -6.571 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.352 -7.938 -8.031 1.00 0.00 O ATOM 0 H ASP A 73 -4.042 -5.549 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.454 -6.180 -9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.324 -5.199 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.434 -5.430 -8.143 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.441 -3.726 -10.011 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.572 -2.358 -10.520 1.00 0.00 C ATOM 1110 C PHE A 74 -6.686 -1.352 -9.367 1.00 0.00 C ATOM 1111 O PHE A 74 -6.180 -0.231 -9.461 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.785 -2.219 -11.445 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.655 -0.951 -12.250 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.441 -0.646 -12.876 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.743 -0.081 -12.367 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.316 0.531 -13.619 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.616 1.097 -13.111 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.404 1.404 -13.735 1.00 0.00 C ATOM 0 H PHE A 74 -7.163 -4.375 -10.323 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.671 -2.141 -11.094 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.850 -3.080 -12.110 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.704 -2.199 -10.859 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.602 -1.320 -12.785 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.680 -0.318 -11.884 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.380 0.767 -14.104 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.456 1.770 -13.203 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.307 2.315 -14.307 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.333 -1.772 -8.271 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.479 -0.904 -7.100 1.00 0.00 C ATOM 1130 C ASP A 75 -6.110 -0.648 -6.463 1.00 0.00 C ATOM 1131 O ASP A 75 -5.776 0.486 -6.117 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.406 -1.549 -6.061 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.911 -0.483 -5.092 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.940 0.108 -5.374 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -8.259 -0.272 -4.080 1.00 0.00 O ATOM 0 H ASP A 75 -7.757 -2.694 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.914 0.040 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.248 -2.030 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.872 -2.327 -5.515 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.321 -1.721 -6.328 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.975 -1.618 -5.748 1.00 0.00 C ATOM 1142 C GLU A 76 -3.016 -0.931 -6.731 1.00 0.00 C ATOM 1143 O GLU A 76 -2.043 -0.295 -6.324 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.424 -3.011 -5.401 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.426 -3.767 -4.518 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.894 -5.168 -4.198 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.608 -5.905 -5.129 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.791 -5.485 -3.023 1.00 0.00 O ATOM 0 H GLU A 76 -5.588 -2.664 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.050 -1.023 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.235 -3.574 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.470 -2.915 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.597 -3.215 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.387 -3.842 -5.027 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.311 -1.074 -8.030 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.489 -0.479 -9.086 1.00 0.00 C ATOM 1157 C PHE A 77 -2.541 1.050 -9.016 1.00 0.00 C ATOM 1158 O PHE A 77 -1.507 1.714 -8.928 1.00 0.00 O ATOM 1159 CB PHE A 77 -3.009 -0.932 -10.458 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.892 -1.065 -11.472 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.547 -1.217 -11.078 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.219 -1.045 -12.830 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.450 -1.343 -12.048 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.220 -1.176 -13.794 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.113 -1.324 -13.406 1.00 0.00 C ATOM 0 H PHE A 77 -4.116 -1.599 -8.373 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.459 -0.807 -8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.520 -1.889 -10.354 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.745 -0.215 -10.821 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.288 -1.236 -10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.249 -0.928 -13.134 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.482 -1.455 -11.750 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.478 -1.163 -14.843 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.885 -1.424 -14.155 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.763 1.593 -9.057 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.959 3.045 -8.998 1.00 0.00 C ATOM 1177 C LEU A 78 -3.507 3.597 -7.643 1.00 0.00 C ATOM 1178 O LEU A 78 -2.982 4.708 -7.560 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.432 3.399 -9.226 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.841 3.615 -10.692 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.219 2.531 -11.575 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.366 3.551 -10.809 1.00 0.00 C ATOM 0 H LEU A 78 -4.625 1.053 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.356 3.496 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.048 2.602 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.661 4.306 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.486 4.592 -11.021 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.514 2.692 -12.612 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.133 2.576 -11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.566 1.551 -11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.658 3.704 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.716 2.575 -10.474 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.811 4.329 -10.189 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.704 2.800 -6.584 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.298 3.211 -5.237 1.00 0.00 C ATOM 1196 C VAL A 79 -1.776 3.399 -5.191 1.00 0.00 C ATOM 1197 O VAL A 79 -1.279 4.419 -4.722 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.732 2.155 -4.204 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.793 2.175 -2.996 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.159 2.454 -3.741 1.00 0.00 C ATOM 0 H VAL A 79 -4.137 1.878 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.783 4.156 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.691 1.170 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.112 1.423 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.776 1.956 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.821 3.160 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.468 1.707 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.194 3.444 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.833 2.424 -4.597 1.00 0.00 H new ATOM 1210 N MET A 80 -1.050 2.394 -5.691 1.00 0.00 N ATOM 1211 CA MET A 80 0.418 2.432 -5.726 1.00 0.00 C ATOM 1212 C MET A 80 0.939 3.769 -6.274 1.00 0.00 C ATOM 1213 O MET A 80 2.029 4.212 -5.905 1.00 0.00 O ATOM 1214 CB MET A 80 0.954 1.300 -6.609 1.00 0.00 C ATOM 1215 CG MET A 80 2.085 0.570 -5.882 1.00 0.00 C ATOM 1216 SD MET A 80 3.286 -0.044 -7.091 1.00 0.00 S ATOM 1217 CE MET A 80 2.222 -1.285 -7.870 1.00 0.00 C ATOM 0 H MET A 80 -1.455 1.542 -6.078 1.00 0.00 H new ATOM 0 HA MET A 80 0.768 2.313 -4.701 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.152 0.602 -6.848 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.317 1.704 -7.554 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.574 1.244 -5.179 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.682 -0.259 -5.301 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.748 -2.239 -7.915 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.310 -1.401 -7.285 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.967 -0.963 -8.880 1.00 0.00 H new ATOM 1227 N MET A 81 0.152 4.411 -7.152 1.00 0.00 N ATOM 1228 CA MET A 81 0.549 5.696 -7.732 1.00 0.00 C ATOM 1229 C MET A 81 0.692 6.751 -6.634 1.00 0.00 C ATOM 1230 O MET A 81 1.748 7.365 -6.484 1.00 0.00 O ATOM 1231 CB MET A 81 -0.494 6.168 -8.752 1.00 0.00 C ATOM 1232 CG MET A 81 -0.011 7.453 -9.433 1.00 0.00 C ATOM 1233 SD MET A 81 -1.236 7.998 -10.652 1.00 0.00 S ATOM 1234 CE MET A 81 -2.663 8.074 -9.540 1.00 0.00 C ATOM 0 H MET A 81 -0.752 4.063 -7.471 1.00 0.00 H new ATOM 0 HA MET A 81 1.507 5.562 -8.233 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.663 5.392 -9.498 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.448 6.346 -8.255 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.147 8.233 -8.688 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.948 7.279 -9.920 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.300 8.913 -9.822 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.231 7.147 -9.613 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.318 8.208 -8.515 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.384 6.942 -5.865 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.377 7.918 -4.769 1.00 0.00 C ATOM 1246 C VAL A 82 0.564 7.470 -3.647 1.00 0.00 C ATOM 1247 O VAL A 82 1.111 8.296 -2.919 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.785 8.115 -4.192 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.674 8.789 -5.239 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.390 6.760 -3.809 1.00 0.00 C ATOM 0 H VAL A 82 -1.264 6.439 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.026 8.864 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.721 8.742 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.675 8.930 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.252 9.758 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.730 8.160 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.389 6.910 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.451 6.126 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.760 6.279 -3.060 1.00 0.00 H new ATOM 1260 N ARG A 83 0.754 6.151 -3.524 1.00 0.00 N ATOM 1261 CA ARG A 83 1.646 5.600 -2.500 1.00 0.00 C ATOM 1262 C ARG A 83 3.090 6.022 -2.781 1.00 0.00 C ATOM 1263 O ARG A 83 3.854 6.319 -1.860 1.00 0.00 O ATOM 1264 CB ARG A 83 1.574 4.068 -2.485 1.00 0.00 C ATOM 1265 CG ARG A 83 0.211 3.615 -1.953 1.00 0.00 C ATOM 1266 CD ARG A 83 0.382 3.001 -0.561 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.823 3.200 0.249 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.846 2.919 1.558 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.218 2.442 2.164 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.944 3.122 2.243 1.00 0.00 N ATOM 0 H ARG A 83 0.306 5.452 -4.116 1.00 0.00 H new ATOM 0 HA ARG A 83 1.326 5.985 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.729 3.678 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.371 3.664 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.473 4.463 -1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.232 2.886 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.592 1.935 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.239 3.453 -0.062 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.666 3.562 -0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.076 2.281 1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.186 2.233 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.774 3.492 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.969 2.910 3.240 1.00 0.00 H new