USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 788 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 75 ASN : amide:sc= -0.263 X(o=-0.68,f=-0.41) USER MOD Set 1.2: A 81 GLN : amide:sc= -0.421 X(o=-0.68,f=-0.41) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.685 K(o=1.2,f=0.52) USER MOD Set 2.2: A 46 SER OG : rot -19:sc= 1.84 USER MOD Set 3.1: A 18 THR OG1 : rot 170:sc= 0 USER MOD Set 3.2: A 25 GLN :FLIP amide:sc= -0.317 F(o=-2.7!,f=-0.32) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.157 F(o=-1,f=-0.16) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 146:sc= 0 (180deg=-2.12) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.296 USER MOD Single : A 19 ASN : amide:sc= -0.979 K(o=-0.98,f=-3.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 ASN : amide:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.2!) USER MOD Single : A 48 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -6.45! C(o=-8.3!,f=-6.4!) USER MOD Single : A 71 THR OG1 : rot -50:sc= -0.672 USER MOD Single : A 73 THR OG1 : rot -49:sc= 0.282 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0587) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 CYS SG : rot -140:sc= -0.412 USER MOD Single : A 103 THR OG1 : rot 19:sc= 0.591 USER MOD Single : A 104 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.2!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 106 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-1.8) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.315 0.513 12.320 1.00 0.00 N ATOM 82 CA ASN A 9 -0.307 -0.348 11.713 1.00 0.00 C ATOM 83 C ASN A 9 -0.824 -1.777 11.575 1.00 0.00 C ATOM 84 O ASN A 9 -1.466 -2.307 12.482 1.00 0.00 O ATOM 85 CB ASN A 9 0.974 -0.336 12.549 1.00 0.00 C ATOM 86 CG ASN A 9 2.195 -0.735 11.743 1.00 0.00 C ATOM 87 OD1 ASN A 9 2.276 -2.011 11.385 1.00 0.00 O flip ATOM 88 ND2 ASN A 9 3.054 0.095 11.445 1.00 0.00 N flip ATOM 0 HA ASN A 9 -0.087 0.038 10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.125 0.661 12.963 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.860 -1.017 13.392 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.950 1.065 11.742 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.869 -0.188 10.901 1.00 0.00 H new ATOM 95 N VAL A 10 -0.539 -2.396 10.434 1.00 0.00 N ATOM 96 CA VAL A 10 -0.973 -3.764 10.177 1.00 0.00 C ATOM 97 C VAL A 10 0.220 -4.703 10.043 1.00 0.00 C ATOM 98 O VAL A 10 1.156 -4.432 9.291 1.00 0.00 O ATOM 99 CB VAL A 10 -1.827 -3.851 8.898 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.298 -5.279 8.666 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.009 -2.898 8.981 1.00 0.00 C ATOM 0 H VAL A 10 -0.009 -1.972 9.673 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.578 -4.070 11.031 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.210 -3.555 8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.900 -5.321 7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.434 -5.934 8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.899 -5.606 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.601 -2.973 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.628 -3.160 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.646 -1.877 9.095 1.00 0.00 H new ATOM 111 N TYR A 11 0.180 -5.809 10.778 1.00 0.00 N ATOM 112 CA TYR A 11 1.260 -6.789 10.743 1.00 0.00 C ATOM 113 C TYR A 11 0.721 -8.200 10.958 1.00 0.00 C ATOM 114 O TYR A 11 -0.409 -8.384 11.407 1.00 0.00 O ATOM 115 CB TYR A 11 2.307 -6.463 11.809 1.00 0.00 C ATOM 116 CG TYR A 11 1.733 -5.794 13.037 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.647 -6.343 13.709 1.00 0.00 C ATOM 118 CD2 TYR A 11 2.275 -4.611 13.526 1.00 0.00 C ATOM 119 CE1 TYR A 11 0.119 -5.734 14.831 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.754 -3.997 14.648 1.00 0.00 C ATOM 121 CZ TYR A 11 0.676 -4.562 15.297 1.00 0.00 C ATOM 122 OH TYR A 11 0.153 -3.952 16.414 1.00 0.00 O ATOM 0 H TYR A 11 -0.588 -6.049 11.405 1.00 0.00 H new ATOM 0 HA TYR A 11 1.727 -6.743 9.759 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.808 -7.384 12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.067 -5.814 11.374 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.208 -7.261 13.348 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.118 -4.164 13.020 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.726 -6.174 15.340 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.188 -3.079 15.015 1.00 0.00 H new ATOM 0 HH TYR A 11 0.661 -3.137 16.610 1.00 0.00 H new ATOM 132 N GLY A 12 1.542 -9.195 10.634 1.00 0.00 N ATOM 133 CA GLY A 12 1.132 -10.578 10.798 1.00 0.00 C ATOM 134 C GLY A 12 2.078 -11.548 10.119 1.00 0.00 C ATOM 135 O GLY A 12 2.860 -11.158 9.251 1.00 0.00 O ATOM 0 H GLY A 12 2.483 -9.068 10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.076 -10.814 11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.130 -10.707 10.390 1.00 0.00 H new ATOM 139 N TYR A 13 2.011 -12.814 10.515 1.00 0.00 N ATOM 140 CA TYR A 13 2.871 -13.841 9.942 1.00 0.00 C ATOM 141 C TYR A 13 2.321 -14.328 8.605 1.00 0.00 C ATOM 142 O TYR A 13 1.291 -15.002 8.552 1.00 0.00 O ATOM 143 CB TYR A 13 3.009 -15.019 10.908 1.00 0.00 C ATOM 144 CG TYR A 13 4.150 -14.867 11.889 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.333 -13.683 12.594 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.046 -15.906 12.109 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.375 -13.540 13.490 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.089 -15.771 13.004 1.00 0.00 C ATOM 149 CZ TYR A 13 6.250 -14.586 13.692 1.00 0.00 C ATOM 150 OH TYR A 13 7.289 -14.448 14.584 1.00 0.00 O ATOM 0 H TYR A 13 1.369 -13.153 11.231 1.00 0.00 H new ATOM 0 HA TYR A 13 3.854 -13.402 9.772 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.077 -15.135 11.462 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.154 -15.934 10.334 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.649 -12.861 12.439 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.925 -16.835 11.571 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.503 -12.613 14.030 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.775 -16.589 13.165 1.00 0.00 H new ATOM 0 HH TYR A 13 7.811 -15.277 14.609 1.00 0.00 H new ATOM 160 N LEU A 14 3.015 -13.983 7.526 1.00 0.00 N ATOM 161 CA LEU A 14 2.598 -14.385 6.187 1.00 0.00 C ATOM 162 C LEU A 14 3.687 -15.203 5.500 1.00 0.00 C ATOM 163 O LEU A 14 4.859 -15.129 5.869 1.00 0.00 O ATOM 164 CB LEU A 14 2.263 -13.153 5.345 1.00 0.00 C ATOM 165 CG LEU A 14 1.115 -12.282 5.857 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.154 -10.909 5.204 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.224 -12.958 5.602 1.00 0.00 C ATOM 0 H LEU A 14 3.869 -13.426 7.552 1.00 0.00 H new ATOM 0 HA LEU A 14 1.708 -15.006 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.157 -12.534 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.020 -13.483 4.335 1.00 0.00 H new ATOM 0 HG LEU A 14 1.235 -12.154 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.330 -10.303 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.100 -10.421 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.061 -11.017 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.029 -12.323 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.353 -13.118 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.251 -13.918 6.118 1.00 0.00 H new ATOM 179 N MET A 15 3.292 -15.981 4.498 1.00 0.00 N ATOM 180 CA MET A 15 4.235 -16.811 3.757 1.00 0.00 C ATOM 181 C MET A 15 4.758 -16.074 2.528 1.00 0.00 C ATOM 182 O MET A 15 4.026 -15.325 1.882 1.00 0.00 O ATOM 183 CB MET A 15 3.572 -18.123 3.336 1.00 0.00 C ATOM 184 CG MET A 15 3.165 -19.002 4.507 1.00 0.00 C ATOM 185 SD MET A 15 4.524 -20.019 5.116 1.00 0.00 S ATOM 186 CE MET A 15 4.376 -21.453 4.054 1.00 0.00 C ATOM 0 H MET A 15 2.326 -16.054 4.180 1.00 0.00 H new ATOM 0 HA MET A 15 5.078 -17.033 4.412 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.689 -17.899 2.737 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.258 -18.678 2.697 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.795 -18.373 5.317 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.341 -19.647 4.203 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.367 -21.857 3.848 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.771 -22.212 4.550 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.900 -21.164 3.117 1.00 0.00 H new ATOM 196 N LYS A 16 6.030 -16.291 2.210 1.00 0.00 N ATOM 197 CA LYS A 16 6.651 -15.649 1.057 1.00 0.00 C ATOM 198 C LYS A 16 7.452 -16.657 0.239 1.00 0.00 C ATOM 199 O LYS A 16 8.235 -17.434 0.787 1.00 0.00 O ATOM 200 CB LYS A 16 7.563 -14.508 1.514 1.00 0.00 C ATOM 201 CG LYS A 16 7.674 -13.378 0.505 1.00 0.00 C ATOM 202 CD LYS A 16 8.844 -12.461 0.821 1.00 0.00 C ATOM 203 CE LYS A 16 9.145 -11.522 -0.337 1.00 0.00 C ATOM 204 NZ LYS A 16 10.040 -12.155 -1.345 1.00 0.00 N ATOM 0 H LYS A 16 6.651 -16.907 2.735 1.00 0.00 H new ATOM 0 HA LYS A 16 5.859 -15.244 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.187 -14.108 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.558 -14.906 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.796 -13.793 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.749 -12.801 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.620 -11.878 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.727 -13.060 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.212 -11.225 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.612 -10.614 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.222 -11.484 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.940 -12.416 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.584 -13.008 -1.727 1.00 0.00 H new ATOM 218 N TYR A 17 7.252 -16.639 -1.074 1.00 0.00 N ATOM 219 CA TYR A 17 7.956 -17.552 -1.967 1.00 0.00 C ATOM 220 C TYR A 17 9.441 -17.211 -2.035 1.00 0.00 C ATOM 221 O TYR A 17 9.848 -16.287 -2.740 1.00 0.00 O ATOM 222 CB TYR A 17 7.344 -17.500 -3.368 1.00 0.00 C ATOM 223 CG TYR A 17 7.458 -18.802 -4.127 1.00 0.00 C ATOM 224 CD1 TYR A 17 8.594 -19.101 -4.869 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.428 -19.736 -4.101 1.00 0.00 C ATOM 226 CE1 TYR A 17 8.701 -20.289 -5.564 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.528 -20.927 -4.793 1.00 0.00 C ATOM 228 CZ TYR A 17 7.666 -21.200 -5.523 1.00 0.00 C ATOM 229 OH TYR A 17 7.769 -22.386 -6.213 1.00 0.00 O ATOM 0 H TYR A 17 6.608 -16.002 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 17 7.852 -18.562 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.292 -17.228 -3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.833 -16.712 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.408 -18.392 -4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.535 -19.527 -3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.591 -20.504 -6.137 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.719 -21.641 -4.763 1.00 0.00 H new ATOM 0 HH TYR A 17 6.955 -22.915 -6.078 1.00 0.00 H new ATOM 239 N THR A 18 10.249 -17.966 -1.296 1.00 0.00 N ATOM 240 CA THR A 18 11.689 -17.745 -1.271 1.00 0.00 C ATOM 241 C THR A 18 12.353 -18.302 -2.525 1.00 0.00 C ATOM 242 O THR A 18 13.308 -17.724 -3.042 1.00 0.00 O ATOM 243 CB THR A 18 12.335 -18.393 -0.031 1.00 0.00 C ATOM 244 OG1 THR A 18 12.239 -19.819 -0.118 1.00 0.00 O ATOM 245 CG2 THR A 18 11.662 -17.910 1.244 1.00 0.00 C ATOM 0 H THR A 18 9.930 -18.735 -0.707 1.00 0.00 H new ATOM 0 HA THR A 18 11.843 -16.667 -1.231 1.00 0.00 H new ATOM 0 HB THR A 18 13.385 -18.102 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.788 -20.227 0.584 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.135 -18.381 2.106 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.763 -16.827 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.605 -18.175 1.220 1.00 0.00 H new ATOM 253 N ASN A 19 11.840 -19.428 -3.010 1.00 0.00 N ATOM 254 CA ASN A 19 12.384 -20.063 -4.205 1.00 0.00 C ATOM 255 C ASN A 19 11.511 -21.235 -4.643 1.00 0.00 C ATOM 256 O ASN A 19 10.486 -21.526 -4.024 1.00 0.00 O ATOM 257 CB ASN A 19 13.812 -20.545 -3.947 1.00 0.00 C ATOM 258 CG ASN A 19 14.639 -20.612 -5.217 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.973 -21.696 -5.696 1.00 0.00 O ATOM 260 ND2 ASN A 19 14.972 -19.451 -5.768 1.00 0.00 N ATOM 0 H ASN A 19 11.049 -19.919 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 19 12.397 -19.323 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.296 -19.875 -3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.781 -21.531 -3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.527 -19.433 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.673 -18.577 -5.336 1.00 0.00 H new ATOM 267 N LEU A 20 11.924 -21.906 -5.713 1.00 0.00 N ATOM 268 CA LEU A 20 11.181 -23.048 -6.234 1.00 0.00 C ATOM 269 C LEU A 20 11.371 -24.273 -5.345 1.00 0.00 C ATOM 270 O LEU A 20 10.405 -24.834 -4.828 1.00 0.00 O ATOM 271 CB LEU A 20 11.630 -23.365 -7.662 1.00 0.00 C ATOM 272 CG LEU A 20 11.147 -22.402 -8.747 1.00 0.00 C ATOM 273 CD1 LEU A 20 12.149 -21.276 -8.946 1.00 0.00 C ATOM 274 CD2 LEU A 20 10.910 -23.146 -10.053 1.00 0.00 C ATOM 0 H LEU A 20 12.769 -21.679 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 20 10.122 -22.789 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.720 -23.387 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.286 -24.368 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 20 10.202 -21.966 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.788 -20.601 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.268 -20.726 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.110 -21.693 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.567 -22.445 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.840 -23.611 -10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.153 -23.916 -9.901 1.00 0.00 H new ATOM 286 N VAL A 21 12.623 -24.682 -5.170 1.00 0.00 N ATOM 287 CA VAL A 21 12.941 -25.838 -4.341 1.00 0.00 C ATOM 288 C VAL A 21 12.253 -25.747 -2.984 1.00 0.00 C ATOM 289 O VAL A 21 11.509 -26.647 -2.590 1.00 0.00 O ATOM 290 CB VAL A 21 14.460 -25.974 -4.126 1.00 0.00 C ATOM 291 CG1 VAL A 21 15.057 -24.649 -3.676 1.00 0.00 C ATOM 292 CG2 VAL A 21 14.759 -27.073 -3.116 1.00 0.00 C ATOM 0 H VAL A 21 13.434 -24.230 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 21 12.577 -26.718 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 21 14.920 -26.249 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.131 -24.765 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.875 -23.891 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.594 -24.341 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.837 -27.155 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.287 -26.830 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.367 -28.021 -3.484 1.00 0.00 H new ATOM 302 N THR A 22 12.504 -24.654 -2.271 1.00 0.00 N ATOM 303 CA THR A 22 11.909 -24.444 -0.957 1.00 0.00 C ATOM 304 C THR A 22 10.397 -24.284 -1.057 1.00 0.00 C ATOM 305 O THR A 22 9.644 -24.960 -0.357 1.00 0.00 O ATOM 306 CB THR A 22 12.501 -23.202 -0.264 1.00 0.00 C ATOM 307 OG1 THR A 22 13.865 -23.022 -0.662 1.00 0.00 O ATOM 308 CG2 THR A 22 12.422 -23.337 1.249 1.00 0.00 C ATOM 0 H THR A 22 13.116 -23.900 -2.582 1.00 0.00 H new ATOM 0 HA THR A 22 12.139 -25.327 -0.361 1.00 0.00 H new ATOM 0 HB THR A 22 11.917 -22.332 -0.566 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.233 -22.230 -0.218 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.846 -22.448 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.380 -23.444 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.983 -24.216 1.566 1.00 0.00 H new ATOM 316 N GLY A 23 9.958 -23.386 -1.933 1.00 0.00 N ATOM 317 CA GLY A 23 8.536 -23.154 -2.109 1.00 0.00 C ATOM 318 C GLY A 23 8.050 -21.934 -1.353 1.00 0.00 C ATOM 319 O GLY A 23 8.125 -20.813 -1.855 1.00 0.00 O ATOM 0 H GLY A 23 10.562 -22.815 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.320 -23.030 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.983 -24.031 -1.771 1.00 0.00 H new ATOM 323 N TRP A 24 7.547 -22.152 -0.143 1.00 0.00 N ATOM 324 CA TRP A 24 7.044 -21.061 0.684 1.00 0.00 C ATOM 325 C TRP A 24 7.628 -21.130 2.091 1.00 0.00 C ATOM 326 O TRP A 24 8.130 -22.172 2.513 1.00 0.00 O ATOM 327 CB TRP A 24 5.517 -21.105 0.749 1.00 0.00 C ATOM 328 CG TRP A 24 4.865 -21.110 -0.600 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.990 -22.065 -1.568 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.987 -20.111 -1.131 1.00 0.00 C ATOM 331 NE1 TRP A 24 4.243 -21.720 -2.669 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.617 -20.527 -2.425 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.475 -18.908 -0.638 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.762 -19.780 -3.231 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.626 -18.168 -1.439 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.276 -18.606 -2.723 1.00 0.00 C ATOM 0 H TRP A 24 7.477 -23.074 0.287 1.00 0.00 H new ATOM 0 HA TRP A 24 7.354 -20.120 0.228 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.209 -21.996 1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.160 -20.244 1.314 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.588 -22.960 -1.481 1.00 0.00 H new ATOM 0 HE1 TRP A 24 4.167 -22.264 -3.528 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.738 -18.563 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.492 -20.115 -4.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.225 -17.236 -1.069 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.609 -18.005 -3.324 1.00 0.00 H new ATOM 347 N GLN A 25 7.559 -20.015 2.811 1.00 0.00 N ATOM 348 CA GLN A 25 8.081 -19.951 4.171 1.00 0.00 C ATOM 349 C GLN A 25 7.374 -18.865 4.975 1.00 0.00 C ATOM 350 O GLN A 25 7.155 -17.758 4.484 1.00 0.00 O ATOM 351 CB GLN A 25 9.588 -19.687 4.149 1.00 0.00 C ATOM 352 CG GLN A 25 10.410 -20.891 3.718 1.00 0.00 C ATOM 353 CD GLN A 25 11.832 -20.844 4.243 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.728 -20.240 3.472 1.00 0.00 O flip ATOM 355 NE2 GLN A 25 12.122 -21.346 5.329 1.00 0.00 N flip ATOM 0 H GLN A 25 7.147 -19.144 2.476 1.00 0.00 H new ATOM 0 HA GLN A 25 7.894 -20.912 4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.793 -18.857 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.909 -19.376 5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.926 -21.802 4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.430 -20.942 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.401 -21.801 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.083 -21.307 5.668 1.00 0.00 H new ATOM 364 N TYR A 26 7.020 -19.190 6.214 1.00 0.00 N ATOM 365 CA TYR A 26 6.335 -18.243 7.086 1.00 0.00 C ATOM 366 C TYR A 26 7.290 -17.153 7.564 1.00 0.00 C ATOM 367 O TYR A 26 8.419 -17.435 7.965 1.00 0.00 O ATOM 368 CB TYR A 26 5.730 -18.970 8.288 1.00 0.00 C ATOM 369 CG TYR A 26 4.316 -19.452 8.055 1.00 0.00 C ATOM 370 CD1 TYR A 26 3.285 -18.552 7.811 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.010 -20.807 8.077 1.00 0.00 C ATOM 372 CE1 TYR A 26 1.992 -18.988 7.599 1.00 0.00 C ATOM 373 CE2 TYR A 26 2.720 -21.252 7.864 1.00 0.00 C ATOM 374 CZ TYR A 26 1.714 -20.339 7.626 1.00 0.00 C ATOM 375 OH TYR A 26 0.427 -20.778 7.413 1.00 0.00 O ATOM 0 H TYR A 26 7.196 -20.101 6.637 1.00 0.00 H new ATOM 0 HA TYR A 26 5.535 -17.774 6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.359 -19.824 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.740 -18.302 9.149 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.499 -17.494 7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.795 -21.525 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.202 -18.275 7.413 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.500 -22.309 7.884 1.00 0.00 H new ATOM 0 HH TYR A 26 0.402 -21.756 7.464 1.00 0.00 H new ATOM 385 N ARG A 27 6.827 -15.908 7.519 1.00 0.00 N ATOM 386 CA ARG A 27 7.639 -14.776 7.946 1.00 0.00 C ATOM 387 C ARG A 27 6.767 -13.678 8.549 1.00 0.00 C ATOM 388 O ARG A 27 5.544 -13.697 8.411 1.00 0.00 O ATOM 389 CB ARG A 27 8.436 -14.218 6.766 1.00 0.00 C ATOM 390 CG ARG A 27 9.772 -13.611 7.165 1.00 0.00 C ATOM 391 CD ARG A 27 10.826 -13.830 6.091 1.00 0.00 C ATOM 392 NE ARG A 27 11.548 -15.085 6.281 1.00 0.00 N ATOM 393 CZ ARG A 27 12.517 -15.504 5.474 1.00 0.00 C ATOM 394 NH1 ARG A 27 12.878 -14.772 4.430 1.00 0.00 N ATOM 395 NH2 ARG A 27 13.127 -16.658 5.713 1.00 0.00 N ATOM 0 H ARG A 27 5.894 -15.658 7.191 1.00 0.00 H new ATOM 0 HA ARG A 27 8.332 -15.127 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.610 -15.017 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.838 -13.459 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.649 -12.543 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.109 -14.054 8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.350 -13.831 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.533 -13.000 6.102 1.00 0.00 H new ATOM 0 HE ARG A 27 11.295 -15.672 7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.412 -13.884 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.622 -15.096 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.852 -17.223 6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.871 -16.980 5.094 1.00 0.00 H new ATOM 409 N PHE A 28 7.405 -12.723 9.218 1.00 0.00 N ATOM 410 CA PHE A 28 6.687 -11.618 9.843 1.00 0.00 C ATOM 411 C PHE A 28 6.681 -10.391 8.936 1.00 0.00 C ATOM 412 O PHE A 28 7.714 -10.004 8.389 1.00 0.00 O ATOM 413 CB PHE A 28 7.322 -11.268 11.191 1.00 0.00 C ATOM 414 CG PHE A 28 6.697 -10.074 11.855 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.345 -10.061 12.157 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.462 -8.965 12.178 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.768 -8.964 12.767 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.891 -7.865 12.789 1.00 0.00 C ATOM 419 CZ PHE A 28 5.542 -7.865 13.085 1.00 0.00 C ATOM 0 H PHE A 28 8.417 -12.692 9.341 1.00 0.00 H new ATOM 0 HA PHE A 28 5.656 -11.932 10.005 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.241 -12.128 11.856 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.385 -11.077 11.044 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.735 -10.918 11.913 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.518 -8.960 11.949 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.712 -8.966 12.995 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.499 -7.007 13.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.093 -7.007 13.564 1.00 0.00 H new ATOM 429 N PHE A 29 5.510 -9.783 8.781 1.00 0.00 N ATOM 430 CA PHE A 29 5.368 -8.601 7.940 1.00 0.00 C ATOM 431 C PHE A 29 4.834 -7.420 8.746 1.00 0.00 C ATOM 432 O PHE A 29 3.973 -7.583 9.611 1.00 0.00 O ATOM 433 CB PHE A 29 4.433 -8.894 6.765 1.00 0.00 C ATOM 434 CG PHE A 29 5.008 -9.860 5.768 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.239 -11.181 6.118 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.316 -9.447 4.482 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.769 -12.071 5.203 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.846 -10.334 3.563 1.00 0.00 C ATOM 439 CZ PHE A 29 6.072 -11.647 3.924 1.00 0.00 C ATOM 0 H PHE A 29 4.645 -10.090 9.227 1.00 0.00 H new ATOM 0 HA PHE A 29 6.354 -8.340 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.495 -9.295 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.196 -7.959 6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.002 -11.518 7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.140 -8.421 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.946 -13.098 5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.083 -10.000 2.564 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.485 -12.342 3.208 1.00 0.00 H new ATOM 449 N VAL A 30 5.351 -6.231 8.456 1.00 0.00 N ATOM 450 CA VAL A 30 4.928 -5.022 9.153 1.00 0.00 C ATOM 451 C VAL A 30 4.669 -3.884 8.172 1.00 0.00 C ATOM 452 O VAL A 30 5.604 -3.275 7.650 1.00 0.00 O ATOM 453 CB VAL A 30 5.980 -4.569 10.182 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.537 -3.287 10.871 1.00 0.00 C ATOM 455 CG2 VAL A 30 6.238 -5.669 11.200 1.00 0.00 C ATOM 0 H VAL A 30 6.064 -6.079 7.743 1.00 0.00 H new ATOM 0 HA VAL A 30 4.003 -5.266 9.675 1.00 0.00 H new ATOM 0 HB VAL A 30 6.913 -4.366 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.293 -2.983 11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.409 -2.500 10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.591 -3.458 11.385 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.984 -5.331 11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.311 -5.906 11.723 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.604 -6.559 10.689 1.00 0.00 H new ATOM 465 N LEU A 31 3.394 -3.601 7.926 1.00 0.00 N ATOM 466 CA LEU A 31 3.011 -2.535 7.007 1.00 0.00 C ATOM 467 C LEU A 31 3.271 -1.165 7.624 1.00 0.00 C ATOM 468 O LEU A 31 3.098 -0.972 8.827 1.00 0.00 O ATOM 469 CB LEU A 31 1.535 -2.666 6.630 1.00 0.00 C ATOM 470 CG LEU A 31 0.947 -1.517 5.810 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.378 -1.622 4.356 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.571 -1.507 5.918 1.00 0.00 C ATOM 0 H LEU A 31 2.609 -4.095 8.350 1.00 0.00 H new ATOM 0 HA LEU A 31 3.619 -2.629 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.405 -3.591 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.954 -2.766 7.547 1.00 0.00 H new ATOM 0 HG LEU A 31 1.327 -0.578 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.949 -0.796 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.465 -1.579 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.029 -2.567 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.972 -0.683 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.969 -2.450 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.861 -1.381 6.961 1.00 0.00 H new ATOM 484 N ASN A 32 3.685 -0.215 6.792 1.00 0.00 N ATOM 485 CA ASN A 32 3.967 1.139 7.256 1.00 0.00 C ATOM 486 C ASN A 32 2.960 2.131 6.681 1.00 0.00 C ATOM 487 O ASN A 32 2.819 2.253 5.466 1.00 0.00 O ATOM 488 CB ASN A 32 5.387 1.550 6.862 1.00 0.00 C ATOM 489 CG ASN A 32 6.421 1.098 7.874 1.00 0.00 C ATOM 490 OD1 ASN A 32 6.169 0.200 8.678 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.594 1.719 7.839 1.00 0.00 N ATOM 0 H ASN A 32 3.833 -0.358 5.793 1.00 0.00 H new ATOM 0 HA ASN A 32 3.881 1.150 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.628 1.126 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.433 2.634 6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.329 1.457 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.760 2.458 7.156 1.00 0.00 H new ATOM 498 N ASN A 33 2.264 2.838 7.566 1.00 0.00 N ATOM 499 CA ASN A 33 1.270 3.820 7.147 1.00 0.00 C ATOM 500 C ASN A 33 1.895 5.206 7.022 1.00 0.00 C ATOM 501 O ASN A 33 1.634 5.930 6.061 1.00 0.00 O ATOM 502 CB ASN A 33 0.110 3.859 8.144 1.00 0.00 C ATOM 503 CG ASN A 33 -0.538 5.228 8.223 1.00 0.00 C ATOM 504 OD1 ASN A 33 -0.457 5.908 9.246 1.00 0.00 O ATOM 505 ND2 ASN A 33 -1.187 5.638 7.139 1.00 0.00 N ATOM 0 H ASN A 33 2.370 2.749 8.577 1.00 0.00 H new ATOM 0 HA ASN A 33 0.890 3.522 6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.639 3.122 7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.473 3.574 9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.644 6.550 7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.228 5.041 6.313 1.00 0.00 H new ATOM 512 N GLU A 34 2.721 5.568 7.998 1.00 0.00 N ATOM 513 CA GLU A 34 3.382 6.867 7.996 1.00 0.00 C ATOM 514 C GLU A 34 4.255 7.032 6.755 1.00 0.00 C ATOM 515 O GLU A 34 4.224 8.070 6.095 1.00 0.00 O ATOM 516 CB GLU A 34 4.233 7.033 9.257 1.00 0.00 C ATOM 517 CG GLU A 34 5.080 8.294 9.258 1.00 0.00 C ATOM 518 CD GLU A 34 6.175 8.262 8.209 1.00 0.00 C ATOM 519 OE1 GLU A 34 6.807 7.198 8.044 1.00 0.00 O ATOM 520 OE2 GLU A 34 6.400 9.301 7.553 1.00 0.00 O ATOM 0 H GLU A 34 2.948 4.980 8.800 1.00 0.00 H new ATOM 0 HA GLU A 34 2.611 7.638 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.578 7.045 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.886 6.167 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.439 9.158 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.529 8.425 10.243 1.00 0.00 H new ATOM 527 N ALA A 35 5.033 6.000 6.445 1.00 0.00 N ATOM 528 CA ALA A 35 5.913 6.028 5.284 1.00 0.00 C ATOM 529 C ALA A 35 5.213 5.465 4.051 1.00 0.00 C ATOM 530 O ALA A 35 5.234 6.074 2.982 1.00 0.00 O ATOM 531 CB ALA A 35 7.189 5.251 5.569 1.00 0.00 C ATOM 0 H ALA A 35 5.071 5.134 6.982 1.00 0.00 H new ATOM 0 HA ALA A 35 6.172 7.067 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.837 5.281 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.706 5.699 6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.940 4.216 5.801 1.00 0.00 H new ATOM 537 N GLY A 36 4.595 4.299 4.208 1.00 0.00 N ATOM 538 CA GLY A 36 3.899 3.673 3.099 1.00 0.00 C ATOM 539 C GLY A 36 4.746 2.629 2.398 1.00 0.00 C ATOM 540 O GLY A 36 4.766 2.559 1.168 1.00 0.00 O ATOM 0 H GLY A 36 4.564 3.776 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.984 3.208 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.603 4.438 2.381 1.00 0.00 H new ATOM 544 N LEU A 37 5.447 1.816 3.180 1.00 0.00 N ATOM 545 CA LEU A 37 6.302 0.771 2.626 1.00 0.00 C ATOM 546 C LEU A 37 6.013 -0.574 3.285 1.00 0.00 C ATOM 547 O LEU A 37 5.786 -0.649 4.494 1.00 0.00 O ATOM 548 CB LEU A 37 7.775 1.138 2.813 1.00 0.00 C ATOM 549 CG LEU A 37 8.413 1.948 1.684 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.562 2.790 2.215 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.894 1.027 0.572 1.00 0.00 C ATOM 0 H LEU A 37 5.441 1.860 4.199 1.00 0.00 H new ATOM 0 HA LEU A 37 6.088 0.686 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.873 1.704 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.345 0.218 2.940 1.00 0.00 H new ATOM 0 HG LEU A 37 7.658 2.618 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.004 3.360 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.189 3.476 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.318 2.139 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.345 1.621 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.633 0.332 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.048 0.468 0.172 1.00 0.00 H new ATOM 563 N LEU A 38 6.025 -1.634 2.485 1.00 0.00 N ATOM 564 CA LEU A 38 5.766 -2.977 2.990 1.00 0.00 C ATOM 565 C LEU A 38 7.069 -3.751 3.171 1.00 0.00 C ATOM 566 O LEU A 38 7.754 -4.067 2.199 1.00 0.00 O ATOM 567 CB LEU A 38 4.840 -3.733 2.036 1.00 0.00 C ATOM 568 CG LEU A 38 4.603 -5.209 2.360 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.561 -5.354 3.458 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.173 -5.966 1.111 1.00 0.00 C ATOM 0 H LEU A 38 6.211 -1.589 1.483 1.00 0.00 H new ATOM 0 HA LEU A 38 5.280 -2.885 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.875 -3.226 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.253 -3.664 1.030 1.00 0.00 H new ATOM 0 HG LEU A 38 5.539 -5.638 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.406 -6.411 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.908 -4.846 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.622 -4.909 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.009 -7.014 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.249 -5.536 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.953 -5.891 0.353 1.00 0.00 H new ATOM 582 N GLU A 39 7.402 -4.054 4.422 1.00 0.00 N ATOM 583 CA GLU A 39 8.622 -4.792 4.729 1.00 0.00 C ATOM 584 C GLU A 39 8.298 -6.114 5.420 1.00 0.00 C ATOM 585 O GLU A 39 7.180 -6.324 5.890 1.00 0.00 O ATOM 586 CB GLU A 39 9.542 -3.952 5.618 1.00 0.00 C ATOM 587 CG GLU A 39 9.518 -2.469 5.289 1.00 0.00 C ATOM 588 CD GLU A 39 10.560 -1.683 6.061 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.908 -2.103 7.184 1.00 0.00 O ATOM 590 OE2 GLU A 39 11.028 -0.648 5.541 1.00 0.00 O ATOM 0 H GLU A 39 6.845 -3.800 5.238 1.00 0.00 H new ATOM 0 HA GLU A 39 9.132 -5.007 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.251 -4.089 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.563 -4.321 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.685 -2.335 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.529 -2.068 5.509 1.00 0.00 H new ATOM 597 N TYR A 40 9.285 -7.002 5.475 1.00 0.00 N ATOM 598 CA TYR A 40 9.105 -8.305 6.104 1.00 0.00 C ATOM 599 C TYR A 40 10.394 -8.766 6.779 1.00 0.00 C ATOM 600 O TYR A 40 11.477 -8.678 6.201 1.00 0.00 O ATOM 601 CB TYR A 40 8.662 -9.338 5.068 1.00 0.00 C ATOM 602 CG TYR A 40 9.754 -9.732 4.100 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.012 -8.972 2.966 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.528 -10.866 4.318 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.009 -9.328 2.078 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.528 -11.229 3.436 1.00 0.00 C ATOM 607 CZ TYR A 40 11.764 -10.457 2.318 1.00 0.00 C ATOM 608 OH TYR A 40 12.758 -10.816 1.436 1.00 0.00 O ATOM 0 H TYR A 40 10.217 -6.843 5.092 1.00 0.00 H new ATOM 0 HA TYR A 40 8.331 -8.209 6.865 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.307 -10.230 5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.818 -8.938 4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.423 -8.087 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.345 -11.474 5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.196 -8.726 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.121 -12.112 3.621 1.00 0.00 H new ATOM 0 HH TYR A 40 13.195 -11.634 1.752 1.00 0.00 H new ATOM 618 N PHE A 41 10.267 -9.258 8.007 1.00 0.00 N ATOM 619 CA PHE A 41 11.420 -9.733 8.763 1.00 0.00 C ATOM 620 C PHE A 41 11.200 -11.162 9.251 1.00 0.00 C ATOM 621 O PHE A 41 10.070 -11.649 9.291 1.00 0.00 O ATOM 622 CB PHE A 41 11.690 -8.812 9.955 1.00 0.00 C ATOM 623 CG PHE A 41 11.551 -7.352 9.628 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.302 -6.793 9.414 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.670 -6.540 9.535 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.171 -5.450 9.113 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.545 -5.197 9.234 1.00 0.00 C ATOM 628 CZ PHE A 41 11.294 -4.651 9.023 1.00 0.00 C ATOM 0 H PHE A 41 9.377 -9.338 8.500 1.00 0.00 H new ATOM 0 HA PHE A 41 12.286 -9.723 8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.001 -9.063 10.761 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.697 -8.999 10.327 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.421 -7.413 9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.651 -6.961 9.700 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.191 -5.026 8.948 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.425 -4.575 9.164 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.194 -3.602 8.788 1.00 0.00 H new ATOM 638 N VAL A 42 12.288 -11.829 9.619 1.00 0.00 N ATOM 639 CA VAL A 42 12.216 -13.202 10.105 1.00 0.00 C ATOM 640 C VAL A 42 11.062 -13.378 11.086 1.00 0.00 C ATOM 641 O VAL A 42 10.263 -14.305 10.960 1.00 0.00 O ATOM 642 CB VAL A 42 13.528 -13.626 10.791 1.00 0.00 C ATOM 643 CG1 VAL A 42 13.571 -15.135 10.978 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.728 -13.145 9.989 1.00 0.00 C ATOM 0 H VAL A 42 13.231 -11.441 9.590 1.00 0.00 H new ATOM 0 HA VAL A 42 12.050 -13.837 9.235 1.00 0.00 H new ATOM 0 HB VAL A 42 13.568 -13.162 11.776 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.506 -15.415 11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.731 -15.449 11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.507 -15.624 10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.647 -13.453 10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.695 -13.579 8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.703 -12.058 9.914 1.00 0.00 H new ATOM 654 N ASN A 43 10.981 -12.481 12.062 1.00 0.00 N ATOM 655 CA ASN A 43 9.924 -12.536 13.066 1.00 0.00 C ATOM 656 C ASN A 43 9.709 -11.168 13.706 1.00 0.00 C ATOM 657 O ASN A 43 10.430 -10.215 13.412 1.00 0.00 O ATOM 658 CB ASN A 43 10.269 -13.567 14.143 1.00 0.00 C ATOM 659 CG ASN A 43 11.764 -13.690 14.368 1.00 0.00 C ATOM 660 OD1 ASN A 43 12.402 -14.622 13.877 1.00 0.00 O ATOM 661 ND2 ASN A 43 12.329 -12.748 15.114 1.00 0.00 N ATOM 0 H ASN A 43 11.634 -11.707 12.180 1.00 0.00 H new ATOM 0 HA ASN A 43 9.000 -12.834 12.569 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.785 -13.287 15.079 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.867 -14.538 13.855 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.331 -12.778 15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.761 -11.994 15.500 1.00 0.00 H new ATOM 668 N GLU A 44 8.714 -11.081 14.583 1.00 0.00 N ATOM 669 CA GLU A 44 8.404 -9.829 15.264 1.00 0.00 C ATOM 670 C GLU A 44 9.614 -9.320 16.043 1.00 0.00 C ATOM 671 O GLU A 44 9.889 -8.121 16.067 1.00 0.00 O ATOM 672 CB GLU A 44 7.217 -10.018 16.210 1.00 0.00 C ATOM 673 CG GLU A 44 6.780 -8.737 16.902 1.00 0.00 C ATOM 674 CD GLU A 44 6.102 -8.995 18.233 1.00 0.00 C ATOM 675 OE1 GLU A 44 6.819 -9.217 19.232 1.00 0.00 O ATOM 676 OE2 GLU A 44 4.854 -8.975 18.277 1.00 0.00 O ATOM 0 H GLU A 44 8.109 -11.862 14.839 1.00 0.00 H new ATOM 0 HA GLU A 44 8.142 -9.088 14.508 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.376 -10.422 15.647 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.480 -10.758 16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.649 -8.099 17.059 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.097 -8.191 16.251 1.00 0.00 H new ATOM 683 N GLN A 45 10.331 -10.241 16.679 1.00 0.00 N ATOM 684 CA GLN A 45 11.510 -9.886 17.460 1.00 0.00 C ATOM 685 C GLN A 45 12.571 -9.236 16.579 1.00 0.00 C ATOM 686 O GLN A 45 13.378 -8.435 17.050 1.00 0.00 O ATOM 687 CB GLN A 45 12.087 -11.127 18.144 1.00 0.00 C ATOM 688 CG GLN A 45 13.580 -11.033 18.415 1.00 0.00 C ATOM 689 CD GLN A 45 14.002 -11.826 19.636 1.00 0.00 C ATOM 690 OE1 GLN A 45 13.167 -12.382 20.349 1.00 0.00 O ATOM 691 NE2 GLN A 45 15.306 -11.882 19.884 1.00 0.00 N ATOM 0 H GLN A 45 10.116 -11.238 16.669 1.00 0.00 H new ATOM 0 HA GLN A 45 11.208 -9.168 18.222 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.564 -11.288 19.087 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.894 -11.999 17.519 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.127 -11.395 17.544 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.855 -9.987 18.552 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.964 -11.406 19.266 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.650 -12.401 20.692 1.00 0.00 H new ATOM 700 N SER A 46 12.566 -9.588 15.297 1.00 0.00 N ATOM 701 CA SER A 46 13.531 -9.042 14.350 1.00 0.00 C ATOM 702 C SER A 46 12.911 -7.913 13.532 1.00 0.00 C ATOM 703 O SER A 46 13.158 -7.794 12.332 1.00 0.00 O ATOM 704 CB SER A 46 14.041 -10.142 13.417 1.00 0.00 C ATOM 705 OG SER A 46 13.008 -10.608 12.566 1.00 0.00 O ATOM 0 H SER A 46 11.904 -10.249 14.890 1.00 0.00 H new ATOM 0 HA SER A 46 14.370 -8.638 14.917 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.867 -9.760 12.817 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.432 -10.971 14.007 1.00 0.00 H new ATOM 0 HG SER A 46 12.138 -10.357 12.940 1.00 0.00 H new ATOM 711 N ARG A 47 12.105 -7.087 14.191 1.00 0.00 N ATOM 712 CA ARG A 47 11.448 -5.968 13.527 1.00 0.00 C ATOM 713 C ARG A 47 12.337 -4.728 13.543 1.00 0.00 C ATOM 714 O ARG A 47 12.174 -3.825 12.724 1.00 0.00 O ATOM 715 CB ARG A 47 10.111 -5.659 14.203 1.00 0.00 C ATOM 716 CG ARG A 47 10.255 -5.049 15.587 1.00 0.00 C ATOM 717 CD ARG A 47 8.924 -4.530 16.109 1.00 0.00 C ATOM 718 NE ARG A 47 8.682 -3.147 15.708 1.00 0.00 N ATOM 719 CZ ARG A 47 7.625 -2.443 16.100 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.719 -2.990 16.898 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.474 -1.189 15.693 1.00 0.00 N ATOM 0 H ARG A 47 11.891 -7.172 15.185 1.00 0.00 H new ATOM 0 HA ARG A 47 11.266 -6.250 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.544 -4.976 13.571 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.531 -6.579 14.279 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.651 -5.796 16.275 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.977 -4.233 15.553 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.117 -5.162 15.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.909 -4.600 17.197 1.00 0.00 H new ATOM 0 HE ARG A 47 9.361 -2.697 15.094 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.832 -3.954 17.213 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.909 -2.447 17.197 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.169 -0.765 15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.663 -0.649 15.994 1.00 0.00 H new ATOM 735 N ASN A 48 13.277 -4.693 14.481 1.00 0.00 N ATOM 736 CA ASN A 48 14.191 -3.563 14.605 1.00 0.00 C ATOM 737 C ASN A 48 15.329 -3.671 13.594 1.00 0.00 C ATOM 738 O ASN A 48 15.628 -2.715 12.879 1.00 0.00 O ATOM 739 CB ASN A 48 14.760 -3.494 16.024 1.00 0.00 C ATOM 740 CG ASN A 48 15.393 -2.150 16.328 1.00 0.00 C ATOM 741 OD1 ASN A 48 15.325 -1.222 15.521 1.00 0.00 O ATOM 742 ND2 ASN A 48 16.014 -2.039 17.497 1.00 0.00 N ATOM 0 H ASN A 48 13.426 -5.434 15.166 1.00 0.00 H new ATOM 0 HA ASN A 48 13.631 -2.650 14.400 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.963 -3.688 16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.504 -4.280 16.153 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.459 -1.159 17.757 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.046 -2.834 18.135 1.00 0.00 H new ATOM 749 N GLN A 49 15.957 -4.841 13.540 1.00 0.00 N ATOM 750 CA GLN A 49 17.062 -5.072 12.617 1.00 0.00 C ATOM 751 C GLN A 49 16.673 -4.680 11.195 1.00 0.00 C ATOM 752 O GLN A 49 15.496 -4.485 10.893 1.00 0.00 O ATOM 753 CB GLN A 49 17.486 -6.541 12.655 1.00 0.00 C ATOM 754 CG GLN A 49 18.858 -6.794 12.051 1.00 0.00 C ATOM 755 CD GLN A 49 19.562 -7.982 12.676 1.00 0.00 C ATOM 756 OE1 GLN A 49 19.701 -8.064 13.897 1.00 0.00 O ATOM 757 NE2 GLN A 49 20.008 -8.913 11.841 1.00 0.00 N ATOM 0 H GLN A 49 15.720 -5.643 14.124 1.00 0.00 H new ATOM 0 HA GLN A 49 17.901 -4.450 12.930 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.485 -6.884 13.690 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.747 -7.138 12.120 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.753 -6.962 10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.475 -5.904 12.176 1.00 0.00 H new ATOM 0 HE21 GLN A 49 19.871 -8.805 10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.487 -9.737 12.204 1.00 0.00 H new ATOM 766 N LYS A 50 17.671 -4.565 10.325 1.00 0.00 N ATOM 767 CA LYS A 50 17.436 -4.197 8.934 1.00 0.00 C ATOM 768 C LYS A 50 16.468 -5.172 8.270 1.00 0.00 C ATOM 769 O LYS A 50 16.564 -6.388 8.434 1.00 0.00 O ATOM 770 CB LYS A 50 18.757 -4.167 8.162 1.00 0.00 C ATOM 771 CG LYS A 50 18.647 -3.516 6.794 1.00 0.00 C ATOM 772 CD LYS A 50 18.555 -2.003 6.903 1.00 0.00 C ATOM 773 CE LYS A 50 19.932 -1.358 6.894 1.00 0.00 C ATOM 774 NZ LYS A 50 19.864 0.101 7.185 1.00 0.00 N ATOM 0 H LYS A 50 18.651 -4.722 10.559 1.00 0.00 H new ATOM 0 HA LYS A 50 16.991 -3.202 8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.501 -3.631 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.121 -5.187 8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.514 -3.786 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.767 -3.899 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.964 -1.613 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.032 -1.735 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.566 -1.846 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.399 -1.513 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.823 0.503 7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.280 0.572 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.442 0.248 8.124 1.00 0.00 H new ATOM 788 N PRO A 51 15.515 -4.627 7.499 1.00 0.00 N ATOM 789 CA PRO A 51 14.513 -5.431 6.793 1.00 0.00 C ATOM 790 C PRO A 51 15.118 -6.235 5.646 1.00 0.00 C ATOM 791 O PRO A 51 16.012 -5.759 4.947 1.00 0.00 O ATOM 792 CB PRO A 51 13.534 -4.385 6.254 1.00 0.00 C ATOM 793 CG PRO A 51 14.339 -3.137 6.138 1.00 0.00 C ATOM 794 CD PRO A 51 15.341 -3.185 7.258 1.00 0.00 C ATOM 0 HA PRO A 51 14.051 -6.171 7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.127 -4.685 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.688 -4.249 6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.838 -3.083 5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.705 -2.254 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.280 -2.708 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.975 -2.670 8.147 1.00 0.00 H new ATOM 802 N ARG A 52 14.624 -7.454 5.459 1.00 0.00 N ATOM 803 CA ARG A 52 15.117 -8.323 4.398 1.00 0.00 C ATOM 804 C ARG A 52 14.778 -7.751 3.025 1.00 0.00 C ATOM 805 O ARG A 52 15.553 -7.881 2.078 1.00 0.00 O ATOM 806 CB ARG A 52 14.520 -9.725 4.539 1.00 0.00 C ATOM 807 CG ARG A 52 14.664 -10.311 5.934 1.00 0.00 C ATOM 808 CD ARG A 52 16.011 -10.994 6.114 1.00 0.00 C ATOM 809 NE ARG A 52 16.228 -12.045 5.123 1.00 0.00 N ATOM 810 CZ ARG A 52 17.275 -12.863 5.138 1.00 0.00 C ATOM 811 NH1 ARG A 52 18.194 -12.753 6.087 1.00 0.00 N ATOM 812 NH2 ARG A 52 17.403 -13.795 4.201 1.00 0.00 N ATOM 0 H ARG A 52 13.883 -7.862 6.028 1.00 0.00 H new ATOM 0 HA ARG A 52 16.201 -8.386 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.463 -9.688 4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.003 -10.390 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.554 -9.520 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.864 -11.029 6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.807 -10.253 6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.070 -11.422 7.115 1.00 0.00 H new ATOM 0 HE ARG A 52 15.539 -12.157 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.099 -12.039 6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.996 -13.383 6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.698 -13.883 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.207 -14.423 4.213 1.00 0.00 H new ATOM 826 N GLY A 53 13.614 -7.116 2.924 1.00 0.00 N ATOM 827 CA GLY A 53 13.193 -6.533 1.664 1.00 0.00 C ATOM 828 C GLY A 53 12.003 -5.608 1.821 1.00 0.00 C ATOM 829 O GLY A 53 11.136 -5.837 2.666 1.00 0.00 O ATOM 0 H GLY A 53 12.955 -6.995 3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.024 -5.979 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.940 -7.330 0.965 1.00 0.00 H new ATOM 833 N THR A 54 11.959 -4.558 1.007 1.00 0.00 N ATOM 834 CA THR A 54 10.868 -3.593 1.062 1.00 0.00 C ATOM 835 C THR A 54 10.219 -3.420 -0.306 1.00 0.00 C ATOM 836 O THR A 54 10.849 -3.656 -1.338 1.00 0.00 O ATOM 837 CB THR A 54 11.356 -2.221 1.564 1.00 0.00 C ATOM 838 OG1 THR A 54 12.177 -1.599 0.569 1.00 0.00 O ATOM 839 CG2 THR A 54 12.143 -2.367 2.858 1.00 0.00 C ATOM 0 H THR A 54 12.667 -4.354 0.301 1.00 0.00 H new ATOM 0 HA THR A 54 10.132 -3.987 1.763 1.00 0.00 H new ATOM 0 HB THR A 54 10.483 -1.598 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.482 -0.727 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.477 -1.385 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.507 -2.814 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.009 -3.006 2.687 1.00 0.00 H new ATOM 847 N LEU A 55 8.957 -3.005 -0.308 1.00 0.00 N ATOM 848 CA LEU A 55 8.222 -2.799 -1.551 1.00 0.00 C ATOM 849 C LEU A 55 7.286 -1.599 -1.438 1.00 0.00 C ATOM 850 O LEU A 55 6.505 -1.497 -0.492 1.00 0.00 O ATOM 851 CB LEU A 55 7.421 -4.053 -1.908 1.00 0.00 C ATOM 852 CG LEU A 55 6.706 -4.031 -3.259 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.642 -4.492 -4.366 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.458 -4.901 -3.216 1.00 0.00 C ATOM 0 H LEU A 55 8.422 -2.805 0.537 1.00 0.00 H new ATOM 0 HA LEU A 55 8.945 -2.600 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.097 -4.908 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.677 -4.219 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 55 6.403 -3.006 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.116 -4.470 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.505 -3.828 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.977 -5.509 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.962 -4.873 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.738 -5.928 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.779 -4.526 -2.450 1.00 0.00 H new ATOM 866 N GLN A 56 7.369 -0.696 -2.409 1.00 0.00 N ATOM 867 CA GLN A 56 6.528 0.495 -2.418 1.00 0.00 C ATOM 868 C GLN A 56 5.090 0.143 -2.785 1.00 0.00 C ATOM 869 O GLN A 56 4.847 -0.683 -3.666 1.00 0.00 O ATOM 870 CB GLN A 56 7.080 1.527 -3.402 1.00 0.00 C ATOM 871 CG GLN A 56 8.075 2.493 -2.777 1.00 0.00 C ATOM 872 CD GLN A 56 8.994 3.128 -3.802 1.00 0.00 C ATOM 873 OE1 GLN A 56 9.221 2.574 -4.877 1.00 0.00 O ATOM 874 NE2 GLN A 56 9.530 4.297 -3.472 1.00 0.00 N ATOM 0 H GLN A 56 8.010 -0.766 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 56 6.534 0.921 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.562 1.006 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.251 2.095 -3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.532 3.276 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.674 1.963 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.314 4.720 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.158 4.772 -4.121 1.00 0.00 H new ATOM 883 N LEU A 57 4.140 0.775 -2.106 1.00 0.00 N ATOM 884 CA LEU A 57 2.725 0.529 -2.360 1.00 0.00 C ATOM 885 C LEU A 57 2.113 1.663 -3.176 1.00 0.00 C ATOM 886 O LEU A 57 1.238 1.438 -4.012 1.00 0.00 O ATOM 887 CB LEU A 57 1.969 0.371 -1.040 1.00 0.00 C ATOM 888 CG LEU A 57 2.219 -0.929 -0.275 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.720 -0.811 1.157 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.549 -2.100 -0.980 1.00 0.00 C ATOM 0 H LEU A 57 4.324 1.462 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 57 2.640 -0.394 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.232 1.207 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.901 0.449 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 57 3.293 -1.112 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.907 -1.746 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.245 0.001 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.650 -0.604 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.737 -3.017 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.475 -1.924 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.954 -2.199 -1.987 1.00 0.00 H new ATOM 902 N ALA A 58 2.581 2.882 -2.930 1.00 0.00 N ATOM 903 CA ALA A 58 2.084 4.051 -3.645 1.00 0.00 C ATOM 904 C ALA A 58 1.953 3.767 -5.137 1.00 0.00 C ATOM 905 O ALA A 58 2.938 3.797 -5.874 1.00 0.00 O ATOM 906 CB ALA A 58 3.000 5.243 -3.411 1.00 0.00 C ATOM 0 H ALA A 58 3.304 3.086 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 58 1.093 4.288 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.616 6.108 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.039 5.468 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.002 5.007 -3.769 1.00 0.00 H new ATOM 912 N GLY A 59 0.729 3.489 -5.577 1.00 0.00 N ATOM 913 CA GLY A 59 0.492 3.203 -6.980 1.00 0.00 C ATOM 914 C GLY A 59 0.623 1.727 -7.300 1.00 0.00 C ATOM 915 O GLY A 59 1.110 1.357 -8.368 1.00 0.00 O ATOM 0 H GLY A 59 -0.102 3.457 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.506 3.544 -7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.199 3.768 -7.587 1.00 0.00 H new ATOM 919 N ALA A 60 0.187 0.881 -6.372 1.00 0.00 N ATOM 920 CA ALA A 60 0.258 -0.563 -6.561 1.00 0.00 C ATOM 921 C ALA A 60 -1.134 -1.163 -6.727 1.00 0.00 C ATOM 922 O ALA A 60 -2.121 -0.613 -6.238 1.00 0.00 O ATOM 923 CB ALA A 60 0.980 -1.214 -5.391 1.00 0.00 C ATOM 0 H ALA A 60 -0.219 1.171 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 60 0.821 -0.758 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.025 -2.292 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.992 -0.815 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.441 -1.002 -4.468 1.00 0.00 H new ATOM 929 N VAL A 61 -1.207 -2.295 -7.420 1.00 0.00 N ATOM 930 CA VAL A 61 -2.478 -2.971 -7.650 1.00 0.00 C ATOM 931 C VAL A 61 -2.558 -4.275 -6.864 1.00 0.00 C ATOM 932 O VAL A 61 -1.565 -4.990 -6.726 1.00 0.00 O ATOM 933 CB VAL A 61 -2.692 -3.272 -9.145 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.803 -4.294 -9.331 1.00 0.00 C ATOM 935 CG2 VAL A 61 -3.001 -1.992 -9.907 1.00 0.00 C ATOM 0 H VAL A 61 -0.400 -2.763 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.261 -2.295 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.772 -3.695 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.939 -4.494 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.536 -5.219 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.731 -3.903 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.149 -2.223 -10.962 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.907 -1.538 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.169 -1.296 -9.802 1.00 0.00 H new ATOM 945 N ILE A 62 -3.745 -4.578 -6.350 1.00 0.00 N ATOM 946 CA ILE A 62 -3.954 -5.797 -5.579 1.00 0.00 C ATOM 947 C ILE A 62 -4.923 -6.737 -6.288 1.00 0.00 C ATOM 948 O ILE A 62 -6.107 -6.433 -6.430 1.00 0.00 O ATOM 949 CB ILE A 62 -4.496 -5.487 -4.171 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.471 -4.679 -3.373 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.847 -6.775 -3.442 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.455 -3.208 -3.724 1.00 0.00 C ATOM 0 H ILE A 62 -4.576 -3.996 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.982 -6.282 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.403 -4.891 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.683 -4.788 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.479 -5.096 -3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.228 -6.539 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.609 -7.315 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.956 -7.396 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.705 -2.698 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.213 -3.089 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.436 -2.776 -3.526 1.00 0.00 H new ATOM 964 N SER A 63 -4.411 -7.881 -6.732 1.00 0.00 N ATOM 965 CA SER A 63 -5.230 -8.865 -7.429 1.00 0.00 C ATOM 966 C SER A 63 -5.227 -10.198 -6.686 1.00 0.00 C ATOM 967 O SER A 63 -4.369 -11.055 -6.901 1.00 0.00 O ATOM 968 CB SER A 63 -4.722 -9.063 -8.858 1.00 0.00 C ATOM 969 OG SER A 63 -5.612 -9.870 -9.609 1.00 0.00 O ATOM 0 H SER A 63 -3.433 -8.149 -6.621 1.00 0.00 H new ATOM 0 HA SER A 63 -6.253 -8.491 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.607 -8.094 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.736 -9.527 -8.836 1.00 0.00 H new ATOM 0 HG SER A 63 -5.265 -9.980 -10.519 1.00 0.00 H new ATOM 975 N PRO A 64 -6.209 -10.379 -5.791 1.00 0.00 N ATOM 976 CA PRO A 64 -6.342 -11.605 -4.998 1.00 0.00 C ATOM 977 C PRO A 64 -6.763 -12.800 -5.846 1.00 0.00 C ATOM 978 O PRO A 64 -7.921 -12.912 -6.248 1.00 0.00 O ATOM 979 CB PRO A 64 -7.436 -11.255 -3.986 1.00 0.00 C ATOM 980 CG PRO A 64 -8.236 -10.186 -4.647 1.00 0.00 C ATOM 981 CD PRO A 64 -7.265 -9.400 -5.484 1.00 0.00 C ATOM 0 HA PRO A 64 -5.398 -11.900 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.052 -12.123 -3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.009 -10.906 -3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.026 -10.615 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.720 -9.548 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.734 -9.017 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.871 -8.541 -4.942 1.00 0.00 H new ATOM 989 N SER A 65 -5.815 -13.693 -6.114 1.00 0.00 N ATOM 990 CA SER A 65 -6.087 -14.879 -6.917 1.00 0.00 C ATOM 991 C SER A 65 -7.275 -15.654 -6.356 1.00 0.00 C ATOM 992 O SER A 65 -7.707 -15.419 -5.228 1.00 0.00 O ATOM 993 CB SER A 65 -4.852 -15.781 -6.967 1.00 0.00 C ATOM 994 OG SER A 65 -4.010 -15.435 -8.052 1.00 0.00 O ATOM 0 H SER A 65 -4.852 -13.617 -5.787 1.00 0.00 H new ATOM 0 HA SER A 65 -6.332 -14.555 -7.928 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.298 -15.696 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.162 -16.822 -7.061 1.00 0.00 H new ATOM 0 HG SER A 65 -3.228 -16.025 -8.060 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.799 -16.579 -7.153 1.00 0.00 N ATOM 1001 CA ASP A 66 -8.937 -17.391 -6.737 1.00 0.00 C ATOM 1002 C ASP A 66 -8.627 -18.877 -6.885 1.00 0.00 C ATOM 1003 O ASP A 66 -9.526 -19.690 -7.092 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.175 -17.031 -7.561 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.744 -15.676 -7.189 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -10.607 -15.277 -6.013 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -11.325 -15.014 -8.074 1.00 0.00 O ATOM 0 H ASP A 66 -7.454 -16.785 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.136 -17.183 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.917 -17.035 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.939 -17.795 -7.416 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.348 -19.223 -6.777 1.00 0.00 N ATOM 1013 CA GLU A 67 -6.920 -20.612 -6.900 1.00 0.00 C ATOM 1014 C GLU A 67 -7.062 -21.345 -5.569 1.00 0.00 C ATOM 1015 O GLU A 67 -7.736 -22.371 -5.482 1.00 0.00 O ATOM 1016 CB GLU A 67 -5.469 -20.681 -7.380 1.00 0.00 C ATOM 1017 CG GLU A 67 -5.302 -20.375 -8.859 1.00 0.00 C ATOM 1018 CD GLU A 67 -5.426 -21.612 -9.728 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -6.567 -22.052 -9.977 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -4.379 -22.140 -10.160 1.00 0.00 O ATOM 0 H GLU A 67 -6.591 -18.562 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.562 -21.099 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.870 -19.977 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.075 -21.677 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.053 -19.646 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.327 -19.916 -9.024 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.421 -20.811 -4.535 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.475 -21.414 -3.208 1.00 0.00 C ATOM 1029 C ASP A 68 -7.217 -20.508 -2.230 1.00 0.00 C ATOM 1030 O ASP A 68 -7.262 -19.290 -2.408 1.00 0.00 O ATOM 1031 CB ASP A 68 -5.062 -21.693 -2.693 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.535 -23.038 -3.150 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -5.192 -24.062 -2.865 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.466 -23.068 -3.795 1.00 0.00 O ATOM 0 H ASP A 68 -5.858 -19.962 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.017 -22.356 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.391 -20.907 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.062 -21.657 -1.604 1.00 0.00 H new ATOM 1039 N SER A 69 -7.798 -21.110 -1.197 1.00 0.00 N ATOM 1040 CA SER A 69 -8.542 -20.358 -0.194 1.00 0.00 C ATOM 1041 C SER A 69 -7.811 -19.069 0.172 1.00 0.00 C ATOM 1042 O SER A 69 -8.346 -17.972 0.011 1.00 0.00 O ATOM 1043 CB SER A 69 -8.754 -21.210 1.059 1.00 0.00 C ATOM 1044 OG SER A 69 -7.665 -22.094 1.265 1.00 0.00 O ATOM 0 H SER A 69 -7.768 -22.116 -1.033 1.00 0.00 H new ATOM 0 HA SER A 69 -9.512 -20.098 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.870 -20.562 1.928 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.677 -21.781 0.962 1.00 0.00 H new ATOM 0 HG SER A 69 -7.824 -22.626 2.073 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.585 -19.211 0.665 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.779 -18.059 1.053 1.00 0.00 C ATOM 1052 C HIS A 70 -4.669 -17.805 0.038 1.00 0.00 C ATOM 1053 O HIS A 70 -3.675 -18.530 -0.006 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.176 -18.276 2.442 1.00 0.00 C ATOM 1055 CG HIS A 70 -6.025 -19.126 3.337 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.370 -19.226 3.449 1.00 0.00 N flip ATOM 1057 CD2 HIS A 70 -5.498 -20.006 4.258 1.00 0.00 C flip ATOM 1058 CE1 HIS A 70 -7.629 -20.156 4.425 1.00 0.00 C flip ATOM 1059 NE2 HIS A 70 -6.483 -20.612 4.897 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.128 -20.112 0.805 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.429 -17.185 1.080 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.196 -18.741 2.335 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.019 -17.307 2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.445 -20.174 4.430 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.610 -20.465 4.753 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.376 -21.313 5.630 1.00 0.00 H new ATOM 1068 N THR A 71 -4.846 -16.770 -0.779 1.00 0.00 N ATOM 1069 CA THR A 71 -3.861 -16.422 -1.795 1.00 0.00 C ATOM 1070 C THR A 71 -4.135 -15.039 -2.374 1.00 0.00 C ATOM 1071 O THR A 71 -5.288 -14.641 -2.540 1.00 0.00 O ATOM 1072 CB THR A 71 -3.847 -17.452 -2.940 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.046 -18.770 -2.416 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.531 -17.398 -3.701 1.00 0.00 C ATOM 0 H THR A 71 -5.662 -16.159 -0.756 1.00 0.00 H new ATOM 0 HA THR A 71 -2.887 -16.422 -1.305 1.00 0.00 H new ATOM 0 HB THR A 71 -4.657 -17.208 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.431 -18.921 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.545 -18.134 -4.505 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.396 -16.402 -4.123 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.708 -17.619 -3.021 1.00 0.00 H new ATOM 1082 N PHE A 72 -3.067 -14.310 -2.682 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.193 -12.970 -3.243 1.00 0.00 C ATOM 1084 C PHE A 72 -1.840 -12.452 -3.724 1.00 0.00 C ATOM 1085 O PHE A 72 -0.802 -13.065 -3.471 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.778 -12.011 -2.204 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.916 -11.850 -0.984 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -1.885 -10.925 -0.966 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -3.136 -12.625 0.143 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.090 -10.774 0.155 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -2.345 -12.478 1.267 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.320 -11.553 1.272 1.00 0.00 C ATOM 0 H PHE A 72 -2.105 -14.625 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.867 -13.024 -4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.927 -11.035 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.760 -12.373 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.700 -10.315 -1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.934 -13.352 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.290 -10.048 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.529 -13.086 2.140 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.699 -11.439 2.148 1.00 0.00 H new ATOM 1102 N THR A 73 -1.860 -11.320 -4.420 1.00 0.00 N ATOM 1103 CA THR A 73 -0.637 -10.721 -4.939 1.00 0.00 C ATOM 1104 C THR A 73 -0.651 -9.206 -4.767 1.00 0.00 C ATOM 1105 O THR A 73 -1.713 -8.595 -4.643 1.00 0.00 O ATOM 1106 CB THR A 73 -0.435 -11.055 -6.429 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.639 -10.791 -7.158 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.037 -12.513 -6.607 1.00 0.00 C ATOM 0 H THR A 73 -2.710 -10.800 -4.637 1.00 0.00 H new ATOM 0 HA THR A 73 0.189 -11.142 -4.365 1.00 0.00 H new ATOM 0 HB THR A 73 0.367 -10.426 -6.815 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.399 -11.202 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.100 -12.726 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.895 -12.703 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.821 -13.156 -6.206 1.00 0.00 H new ATOM 1116 N VAL A 74 0.534 -8.604 -4.762 1.00 0.00 N ATOM 1117 CA VAL A 74 0.657 -7.159 -4.608 1.00 0.00 C ATOM 1118 C VAL A 74 1.546 -6.564 -5.694 1.00 0.00 C ATOM 1119 O VAL A 74 2.769 -6.540 -5.564 1.00 0.00 O ATOM 1120 CB VAL A 74 1.233 -6.790 -3.228 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.437 -5.286 -3.120 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.324 -7.294 -2.118 1.00 0.00 C ATOM 0 H VAL A 74 1.423 -9.094 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.347 -6.744 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 74 2.204 -7.274 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.844 -5.044 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.132 -4.957 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.481 -4.779 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.747 -7.024 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.662 -6.842 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.235 -8.378 -2.185 1.00 0.00 H new ATOM 1132 N ASN A 75 0.922 -6.085 -6.765 1.00 0.00 N ATOM 1133 CA ASN A 75 1.657 -5.490 -7.875 1.00 0.00 C ATOM 1134 C ASN A 75 2.377 -4.220 -7.432 1.00 0.00 C ATOM 1135 O ASN A 75 2.201 -3.755 -6.306 1.00 0.00 O ATOM 1136 CB ASN A 75 0.706 -5.173 -9.032 1.00 0.00 C ATOM 1137 CG ASN A 75 0.445 -6.380 -9.912 1.00 0.00 C ATOM 1138 OD1 ASN A 75 0.718 -6.356 -11.113 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.085 -7.442 -9.318 1.00 0.00 N ATOM 0 H ASN A 75 -0.091 -6.097 -6.888 1.00 0.00 H new ATOM 0 HA ASN A 75 2.402 -6.210 -8.212 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.240 -4.807 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.128 -4.370 -9.637 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.283 -8.284 -9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.295 -7.417 -8.320 1.00 0.00 H new ATOM 1146 N ALA A 76 3.188 -3.664 -8.325 1.00 0.00 N ATOM 1147 CA ALA A 76 3.933 -2.447 -8.028 1.00 0.00 C ATOM 1148 C ALA A 76 3.931 -1.496 -9.220 1.00 0.00 C ATOM 1149 O ALA A 76 3.973 -1.930 -10.371 1.00 0.00 O ATOM 1150 CB ALA A 76 5.360 -2.786 -7.623 1.00 0.00 C ATOM 0 H ALA A 76 3.346 -4.037 -9.261 1.00 0.00 H new ATOM 0 HA ALA A 76 3.441 -1.945 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.904 -1.867 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.346 -3.419 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.854 -3.315 -8.438 1.00 0.00 H new ATOM 1156 N ALA A 77 3.882 -0.199 -8.937 1.00 0.00 N ATOM 1157 CA ALA A 77 3.876 0.812 -9.987 1.00 0.00 C ATOM 1158 C ALA A 77 4.942 0.519 -11.038 1.00 0.00 C ATOM 1159 O ALA A 77 4.665 0.533 -12.237 1.00 0.00 O ATOM 1160 CB ALA A 77 4.089 2.195 -9.389 1.00 0.00 C ATOM 0 H ALA A 77 3.846 0.177 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 77 2.903 0.785 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.082 2.940 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.289 2.412 -8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.048 2.224 -8.873 1.00 0.00 H new ATOM 1166 N SER A 78 6.161 0.255 -10.580 1.00 0.00 N ATOM 1167 CA SER A 78 7.270 -0.037 -11.481 1.00 0.00 C ATOM 1168 C SER A 78 6.974 -1.274 -12.323 1.00 0.00 C ATOM 1169 O SER A 78 7.036 -1.233 -13.551 1.00 0.00 O ATOM 1170 CB SER A 78 8.560 -0.245 -10.686 1.00 0.00 C ATOM 1171 OG SER A 78 9.223 0.987 -10.458 1.00 0.00 O ATOM 0 H SER A 78 6.406 0.237 -9.590 1.00 0.00 H new ATOM 0 HA SER A 78 7.397 0.815 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.330 -0.720 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.220 -0.922 -11.228 1.00 0.00 H new ATOM 0 HG SER A 78 10.044 0.827 -9.947 1.00 0.00 H new ATOM 1177 N GLY A 79 6.650 -2.376 -11.652 1.00 0.00 N ATOM 1178 CA GLY A 79 6.349 -3.610 -12.354 1.00 0.00 C ATOM 1179 C GLY A 79 6.790 -4.838 -11.582 1.00 0.00 C ATOM 1180 O GLY A 79 7.393 -5.750 -12.146 1.00 0.00 O ATOM 0 H GLY A 79 6.591 -2.436 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.276 -3.667 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.840 -3.600 -13.327 1.00 0.00 H new ATOM 1184 N GLU A 80 6.489 -4.861 -10.287 1.00 0.00 N ATOM 1185 CA GLU A 80 6.861 -5.985 -9.436 1.00 0.00 C ATOM 1186 C GLU A 80 5.641 -6.543 -8.708 1.00 0.00 C ATOM 1187 O GLU A 80 4.676 -5.823 -8.452 1.00 0.00 O ATOM 1188 CB GLU A 80 7.922 -5.557 -8.421 1.00 0.00 C ATOM 1189 CG GLU A 80 8.843 -6.686 -7.990 1.00 0.00 C ATOM 1190 CD GLU A 80 8.272 -7.500 -6.846 1.00 0.00 C ATOM 1191 OE1 GLU A 80 7.170 -7.159 -6.368 1.00 0.00 O ATOM 1192 OE2 GLU A 80 8.926 -8.478 -6.428 1.00 0.00 O ATOM 0 H GLU A 80 5.989 -4.114 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 80 7.273 -6.768 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.521 -4.755 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.426 -5.148 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.030 -7.342 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.805 -6.271 -7.691 1.00 0.00 H new ATOM 1199 N GLN A 81 5.693 -7.830 -8.378 1.00 0.00 N ATOM 1200 CA GLN A 81 4.593 -8.484 -7.681 1.00 0.00 C ATOM 1201 C GLN A 81 5.106 -9.306 -6.504 1.00 0.00 C ATOM 1202 O GLN A 81 6.202 -9.866 -6.555 1.00 0.00 O ATOM 1203 CB GLN A 81 3.813 -9.382 -8.644 1.00 0.00 C ATOM 1204 CG GLN A 81 2.500 -9.892 -8.072 1.00 0.00 C ATOM 1205 CD GLN A 81 1.861 -10.959 -8.939 1.00 0.00 C ATOM 1206 OE1 GLN A 81 0.786 -10.754 -9.503 1.00 0.00 O ATOM 1207 NE2 GLN A 81 2.521 -12.106 -9.050 1.00 0.00 N ATOM 0 H GLN A 81 6.485 -8.439 -8.582 1.00 0.00 H new ATOM 0 HA GLN A 81 3.928 -7.710 -7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.610 -8.828 -9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.435 -10.234 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.675 -10.296 -7.075 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.808 -9.057 -7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.409 -12.232 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.140 -12.861 -9.621 1.00 0.00 H new ATOM 1216 N TYR A 82 4.309 -9.374 -5.443 1.00 0.00 N ATOM 1217 CA TYR A 82 4.684 -10.125 -4.252 1.00 0.00 C ATOM 1218 C TYR A 82 3.742 -11.305 -4.032 1.00 0.00 C ATOM 1219 O TYR A 82 2.522 -11.140 -3.985 1.00 0.00 O ATOM 1220 CB TYR A 82 4.673 -9.213 -3.024 1.00 0.00 C ATOM 1221 CG TYR A 82 6.000 -8.538 -2.759 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.899 -8.300 -3.792 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.356 -8.140 -1.476 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.112 -7.684 -3.554 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.566 -7.522 -1.230 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.441 -7.297 -2.272 1.00 0.00 C ATOM 1227 OH TYR A 82 9.649 -6.683 -2.031 1.00 0.00 O ATOM 0 H TYR A 82 3.399 -8.918 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 82 5.692 -10.512 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.906 -8.449 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.392 -9.799 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.645 -8.602 -4.797 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.674 -8.317 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.799 -7.506 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.826 -7.217 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 82 9.725 -6.474 -1.077 1.00 0.00 H new ATOM 1237 N LYS A 83 4.316 -12.495 -3.896 1.00 0.00 N ATOM 1238 CA LYS A 83 3.530 -13.704 -3.679 1.00 0.00 C ATOM 1239 C LYS A 83 3.398 -14.007 -2.190 1.00 0.00 C ATOM 1240 O LYS A 83 4.319 -14.540 -1.570 1.00 0.00 O ATOM 1241 CB LYS A 83 4.175 -14.892 -4.397 1.00 0.00 C ATOM 1242 CG LYS A 83 3.299 -16.133 -4.427 1.00 0.00 C ATOM 1243 CD LYS A 83 3.818 -17.158 -5.421 1.00 0.00 C ATOM 1244 CE LYS A 83 3.493 -16.761 -6.852 1.00 0.00 C ATOM 1245 NZ LYS A 83 3.762 -17.869 -7.810 1.00 0.00 N ATOM 0 H LYS A 83 5.324 -12.649 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 83 2.533 -13.538 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.414 -14.601 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.117 -15.134 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.261 -16.577 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.279 -15.853 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.897 -17.262 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.379 -18.132 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.445 -16.470 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.085 -15.889 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.528 -17.559 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.768 -18.130 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.179 -18.693 -7.560 1.00 0.00 H new ATOM 1259 N LEU A 84 2.247 -13.665 -1.621 1.00 0.00 N ATOM 1260 CA LEU A 84 1.993 -13.901 -0.205 1.00 0.00 C ATOM 1261 C LEU A 84 0.772 -14.795 -0.012 1.00 0.00 C ATOM 1262 O LEU A 84 -0.055 -14.935 -0.912 1.00 0.00 O ATOM 1263 CB LEU A 84 1.788 -12.573 0.526 1.00 0.00 C ATOM 1264 CG LEU A 84 2.810 -11.476 0.225 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.431 -10.185 0.933 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.206 -11.922 0.634 1.00 0.00 C ATOM 0 H LEU A 84 1.475 -13.223 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 84 2.862 -14.408 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.796 -12.195 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.798 -12.766 1.599 1.00 0.00 H new ATOM 0 HG LEU A 84 2.810 -11.290 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.170 -9.416 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.449 -9.857 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.402 -10.355 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.921 -11.129 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.221 -12.136 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.478 -12.821 0.080 1.00 0.00 H new ATOM 1278 N ARG A 85 0.666 -15.396 1.169 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.454 -16.276 1.480 1.00 0.00 C ATOM 1280 C ARG A 85 -0.973 -16.016 2.891 1.00 0.00 C ATOM 1281 O ARG A 85 -0.344 -16.402 3.876 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.034 -17.740 1.342 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.053 -18.721 1.899 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.414 -20.061 2.229 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.400 -21.135 2.300 1.00 0.00 N ATOM 1286 CZ ARG A 85 -1.935 -21.714 1.231 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -1.580 -21.324 0.014 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.827 -22.686 1.377 1.00 0.00 N ATOM 0 H ARG A 85 1.342 -15.290 1.926 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.255 -16.067 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.134 -17.963 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.917 -17.886 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.509 -18.303 2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.853 -18.867 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.332 -20.303 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.111 -19.987 3.181 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.694 -21.459 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.895 -20.578 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.992 -21.770 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.103 -22.989 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.237 -23.130 0.555 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.125 -15.358 2.981 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.729 -15.048 4.270 1.00 0.00 C ATOM 1304 C ALA A 86 -2.743 -16.272 5.179 1.00 0.00 C ATOM 1305 O ALA A 86 -2.604 -17.405 4.715 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.142 -14.516 4.077 1.00 0.00 C ATOM 0 H ALA A 86 -2.658 -15.030 2.176 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.125 -14.278 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.581 -14.289 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.110 -13.610 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.748 -15.268 3.572 1.00 0.00 H new ATOM 1312 N THR A 87 -2.909 -16.039 6.477 1.00 0.00 N ATOM 1313 CA THR A 87 -2.939 -17.122 7.451 1.00 0.00 C ATOM 1314 C THR A 87 -4.270 -17.864 7.408 1.00 0.00 C ATOM 1315 O THR A 87 -4.363 -19.016 7.832 1.00 0.00 O ATOM 1316 CB THR A 87 -2.702 -16.599 8.881 1.00 0.00 C ATOM 1317 OG1 THR A 87 -2.406 -17.691 9.759 1.00 0.00 O ATOM 1318 CG2 THR A 87 -3.922 -15.847 9.391 1.00 0.00 C ATOM 0 H THR A 87 -3.025 -15.108 6.878 1.00 0.00 H new ATOM 0 HA THR A 87 -2.135 -17.808 7.185 1.00 0.00 H new ATOM 0 HB THR A 87 -1.856 -15.913 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.255 -17.350 10.665 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.731 -15.487 10.402 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.127 -14.999 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.783 -16.515 9.400 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.297 -17.198 6.893 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.623 -17.796 6.793 1.00 0.00 C ATOM 1328 C ASP A 88 -7.495 -17.021 5.809 1.00 0.00 C ATOM 1329 O ASP A 88 -7.226 -15.859 5.507 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.294 -17.835 8.167 1.00 0.00 C ATOM 1331 CG ASP A 88 -6.823 -19.005 9.008 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -7.299 -20.135 8.771 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -5.978 -18.791 9.902 1.00 0.00 O ATOM 0 H ASP A 88 -5.237 -16.244 6.538 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.508 -18.816 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.087 -16.905 8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.375 -17.895 8.039 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.540 -17.674 5.312 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.452 -17.047 4.364 1.00 0.00 C ATOM 1340 C ALA A 89 -10.049 -15.767 4.940 1.00 0.00 C ATOM 1341 O ALA A 89 -10.620 -14.954 4.213 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.557 -18.018 3.973 1.00 0.00 C ATOM 0 H ALA A 89 -8.776 -18.637 5.550 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.884 -16.782 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.231 -17.536 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.118 -18.903 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.115 -18.311 4.862 1.00 0.00 H new ATOM 1348 N LYS A 90 -9.913 -15.594 6.250 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.438 -14.413 6.925 1.00 0.00 C ATOM 1350 C LYS A 90 -9.381 -13.316 7.002 1.00 0.00 C ATOM 1351 O LYS A 90 -9.707 -12.132 7.080 1.00 0.00 O ATOM 1352 CB LYS A 90 -10.916 -14.775 8.333 1.00 0.00 C ATOM 1353 CG LYS A 90 -11.387 -13.579 9.141 1.00 0.00 C ATOM 1354 CD LYS A 90 -12.183 -14.009 10.362 1.00 0.00 C ATOM 1355 CE LYS A 90 -13.216 -12.963 10.751 1.00 0.00 C ATOM 1356 NZ LYS A 90 -12.587 -11.644 11.038 1.00 0.00 N ATOM 0 H LYS A 90 -9.443 -16.257 6.866 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.283 -14.040 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.731 -15.495 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.104 -15.267 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.526 -12.990 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.002 -12.934 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.682 -14.956 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.505 -14.180 11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.942 -12.852 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.764 -13.303 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.297 -11.002 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.807 -11.771 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.217 -11.237 10.156 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.114 -13.718 6.978 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.010 -12.768 7.044 1.00 0.00 C ATOM 1372 C GLU A 91 -6.684 -12.215 5.660 1.00 0.00 C ATOM 1373 O GLU A 91 -5.996 -11.203 5.531 1.00 0.00 O ATOM 1374 CB GLU A 91 -5.770 -13.433 7.645 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.710 -12.445 8.101 1.00 0.00 C ATOM 1376 CD GLU A 91 -5.022 -11.836 9.454 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -5.748 -10.821 9.495 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -4.540 -12.376 10.472 1.00 0.00 O ATOM 0 H GLU A 91 -7.827 -14.695 6.913 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.315 -11.940 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.072 -14.046 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.334 -14.105 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.745 -12.950 8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.618 -11.650 7.361 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.182 -12.889 4.628 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.942 -12.467 3.253 1.00 0.00 C ATOM 1387 C ARG A 92 -7.584 -11.109 2.981 1.00 0.00 C ATOM 1388 O ARG A 92 -6.890 -10.122 2.739 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.491 -13.507 2.275 1.00 0.00 C ATOM 1390 CG ARG A 92 -6.936 -13.371 0.867 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.686 -14.258 -0.115 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.106 -13.925 -0.179 1.00 0.00 N ATOM 1393 CZ ARG A 92 -10.020 -14.442 0.634 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -9.663 -15.312 1.569 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -11.293 -14.090 0.514 1.00 0.00 N ATOM 0 H ARG A 92 -7.754 -13.729 4.718 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.865 -12.376 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.263 -14.504 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.577 -13.421 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.005 -12.332 0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.879 -13.636 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.245 -14.155 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.571 -15.301 0.178 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.413 -13.258 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.685 -15.585 1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.366 -15.708 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.572 -13.421 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.993 -14.488 1.139 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.912 -11.069 3.022 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.646 -9.833 2.779 1.00 0.00 C ATOM 1411 C GLN A 93 -9.068 -8.686 3.601 1.00 0.00 C ATOM 1412 O GLN A 93 -8.996 -7.548 3.134 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.127 -10.021 3.113 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.377 -10.439 4.553 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.823 -10.258 4.971 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.742 -10.478 4.180 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.033 -9.855 6.218 1.00 0.00 N ATOM 0 H GLN A 93 -9.501 -11.878 3.221 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.548 -9.583 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.656 -9.089 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.549 -10.773 2.446 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.095 -11.484 4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.736 -9.855 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.242 -9.685 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -13.985 -9.716 6.555 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.657 -8.991 4.827 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.085 -7.985 5.715 1.00 0.00 C ATOM 1428 C HIS A 94 -6.835 -7.365 5.098 1.00 0.00 C ATOM 1429 O HIS A 94 -6.711 -6.142 5.020 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.745 -8.605 7.071 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.262 -7.609 8.080 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -8.082 -6.659 8.652 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -6.035 -7.420 8.620 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.380 -5.928 9.500 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.135 -6.369 9.499 1.00 0.00 N ATOM 0 H HIS A 94 -8.709 -9.927 5.229 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.826 -7.199 5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.629 -9.108 7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.980 -9.368 6.931 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.144 -7.989 8.401 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.760 -5.109 10.093 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.372 -5.991 10.060 1.00 0.00 H new ATOM 1444 N TRP A 95 -5.911 -8.214 4.664 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.670 -7.749 4.055 1.00 0.00 C ATOM 1446 C TRP A 95 -4.940 -7.086 2.708 1.00 0.00 C ATOM 1447 O TRP A 95 -4.445 -5.993 2.433 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.696 -8.914 3.878 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.806 -9.130 5.064 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.771 -10.229 5.874 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.824 -8.222 5.575 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.826 -10.059 6.857 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.231 -8.836 6.695 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.386 -6.951 5.194 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.225 -8.221 7.436 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.388 -6.341 5.930 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.184 -6.976 7.040 1.00 0.00 C ATOM 0 H TRP A 95 -5.997 -9.229 4.722 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.223 -7.010 4.720 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.262 -9.826 3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.079 -8.732 2.998 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.394 -11.103 5.759 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.604 -10.734 7.589 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.820 -6.454 4.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.217 -8.709 8.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.043 -5.358 5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.963 -6.473 7.594 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.727 -7.755 1.871 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.063 -7.230 0.554 1.00 0.00 C ATOM 1470 C VAL A 96 -6.688 -5.843 0.658 1.00 0.00 C ATOM 1471 O VAL A 96 -6.248 -4.901 -0.002 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.034 -8.164 -0.192 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.313 -7.638 -1.592 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.477 -9.578 -0.246 1.00 0.00 C ATOM 0 H VAL A 96 -6.144 -8.662 2.082 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.131 -7.164 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.977 -8.190 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.001 -8.311 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.759 -6.646 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.379 -7.580 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.176 -10.224 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.520 -9.572 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.335 -9.952 0.768 1.00 0.00 H new ATOM 1484 N SER A 97 -7.717 -5.725 1.491 1.00 0.00 N ATOM 1485 CA SER A 97 -8.405 -4.453 1.680 1.00 0.00 C ATOM 1486 C SER A 97 -7.454 -3.397 2.235 1.00 0.00 C ATOM 1487 O SER A 97 -7.232 -2.359 1.612 1.00 0.00 O ATOM 1488 CB SER A 97 -9.597 -4.629 2.623 1.00 0.00 C ATOM 1489 OG SER A 97 -10.287 -3.406 2.807 1.00 0.00 O ATOM 0 H SER A 97 -8.093 -6.494 2.046 1.00 0.00 H new ATOM 0 HA SER A 97 -8.766 -4.116 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.278 -5.377 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.250 -5.003 3.586 1.00 0.00 H new ATOM 0 HG SER A 97 -11.045 -3.546 3.412 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.896 -3.672 3.409 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.970 -2.745 4.050 1.00 0.00 C ATOM 1497 C ARG A 98 -4.975 -2.185 3.038 1.00 0.00 C ATOM 1498 O ARG A 98 -4.814 -0.969 2.917 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.220 -3.445 5.185 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.070 -3.681 6.422 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.507 -2.369 7.056 1.00 0.00 C ATOM 1502 NE ARG A 98 -5.373 -1.496 7.345 1.00 0.00 N ATOM 1503 CZ ARG A 98 -5.492 -0.295 7.898 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -6.690 0.174 8.220 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -4.413 0.441 8.131 1.00 0.00 N ATOM 0 H ARG A 98 -7.068 -4.528 3.936 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.548 -1.918 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.844 -4.403 4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.352 -2.845 5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.949 -4.268 6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.505 -4.266 7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.198 -1.856 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.050 -2.575 7.978 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.438 -1.827 7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.522 -0.388 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.779 1.097 8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.490 0.084 7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.507 1.363 8.556 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.310 -3.077 2.313 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.330 -2.672 1.311 1.00 0.00 C ATOM 1521 C LEU A 99 -3.981 -1.818 0.227 1.00 0.00 C ATOM 1522 O LEU A 99 -3.463 -0.763 -0.139 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.676 -3.903 0.682 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.912 -4.820 1.638 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.828 -6.229 1.074 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.520 -4.267 1.908 1.00 0.00 C ATOM 0 H LEU A 99 -4.431 -4.086 2.400 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.565 -2.075 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.451 -4.490 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.989 -3.568 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.454 -4.862 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.281 -6.867 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.834 -6.625 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.309 -6.207 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.010 -4.932 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.031 -4.195 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.602 -3.277 2.357 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.119 -2.281 -0.281 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.840 -1.559 -1.321 1.00 0.00 C ATOM 1540 C GLN A 100 -6.195 -0.149 -0.859 1.00 0.00 C ATOM 1541 O GLN A 100 -6.378 0.754 -1.676 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.112 -2.316 -1.710 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.883 -3.388 -2.763 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.136 -3.702 -3.557 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -8.262 -3.313 -4.718 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -9.070 -4.411 -2.934 1.00 0.00 N ATOM 0 H GLN A 100 -5.561 -3.153 0.011 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.190 -1.484 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.537 -2.778 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.849 -1.604 -2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.098 -3.061 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.527 -4.297 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.923 -4.713 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.934 -4.654 -3.419 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.291 0.031 0.454 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.623 1.331 1.023 1.00 0.00 C ATOM 1557 C ILE A 101 -5.369 2.165 1.259 1.00 0.00 C ATOM 1558 O ILE A 101 -5.323 3.347 0.917 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.386 1.184 2.353 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.691 0.415 2.136 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.667 2.553 2.957 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.291 -0.130 3.413 1.00 0.00 C ATOM 0 H ILE A 101 -6.144 -0.706 1.143 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.262 1.838 0.300 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.765 0.621 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.415 1.073 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.506 -0.411 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.207 2.432 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.725 3.069 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.271 3.139 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.214 -0.663 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.585 -0.814 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.508 0.693 4.094 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.352 1.541 1.845 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.095 2.225 2.126 1.00 0.00 C ATOM 1576 C CYS A 102 -2.360 2.565 0.833 1.00 0.00 C ATOM 1577 O CYS A 102 -1.566 3.505 0.786 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.207 1.358 3.019 1.00 0.00 C ATOM 1579 SG CYS A 102 -2.537 1.541 4.788 1.00 0.00 S ATOM 0 H CYS A 102 -4.374 0.563 2.134 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.324 3.154 2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.341 0.313 2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.163 1.607 2.827 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.413 1.539 5.442 1.00 0.00 H new ATOM 1585 N THR A 103 -2.628 1.792 -0.214 1.00 0.00 N ATOM 1586 CA THR A 103 -1.991 2.008 -1.507 1.00 0.00 C ATOM 1587 C THR A 103 -2.598 3.207 -2.226 1.00 0.00 C ATOM 1588 O THR A 103 -1.887 3.989 -2.857 1.00 0.00 O ATOM 1589 CB THR A 103 -2.115 0.766 -2.410 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.067 0.763 -3.385 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.466 0.738 -3.109 1.00 0.00 C ATOM 0 H THR A 103 -3.282 1.010 -0.192 1.00 0.00 H new ATOM 0 HA THR A 103 -0.936 2.201 -1.310 1.00 0.00 H new ATOM 0 HB THR A 103 -2.030 -0.122 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.348 1.363 -3.095 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.530 -0.148 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.261 0.711 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.576 1.631 -3.724 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.916 3.346 -2.126 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.618 4.452 -2.767 1.00 0.00 C ATOM 1601 C GLN A 104 -4.531 5.717 -1.920 1.00 0.00 C ATOM 1602 O GLN A 104 -4.228 6.797 -2.428 1.00 0.00 O ATOM 1603 CB GLN A 104 -6.083 4.083 -3.006 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.826 5.077 -3.883 1.00 0.00 C ATOM 1605 CD GLN A 104 -7.394 6.241 -3.095 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -7.768 6.094 -1.931 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -7.461 7.408 -3.726 1.00 0.00 N ATOM 0 H GLN A 104 -4.519 2.707 -1.608 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.138 4.646 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.130 3.097 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.592 4.008 -2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.149 5.457 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.636 4.564 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.140 7.485 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.834 8.227 -3.245 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.799 5.576 -0.625 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.751 6.708 0.293 1.00 0.00 C ATOM 1618 C HIS A 105 -3.419 7.443 0.179 1.00 0.00 C ATOM 1619 O HIS A 105 -3.316 8.619 0.531 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.965 6.235 1.731 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.512 7.295 2.636 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.727 7.912 2.423 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -5.004 7.847 3.762 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.941 8.799 3.379 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.911 8.778 4.205 1.00 0.00 N ATOM 0 H HIS A 105 -5.051 4.689 -0.189 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.551 7.398 0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.647 5.385 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.016 5.880 2.133 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.060 7.601 4.226 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.810 9.433 3.469 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.806 9.359 5.037 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.402 6.743 -0.313 1.00 0.00 N ATOM 1635 CA HIS A 106 -1.077 7.330 -0.473 1.00 0.00 C ATOM 1636 C HIS A 106 -0.895 7.888 -1.882 1.00 0.00 C ATOM 1637 O HIS A 106 -0.653 9.082 -2.062 1.00 0.00 O ATOM 1638 CB HIS A 106 0.004 6.288 -0.181 1.00 0.00 C ATOM 1639 CG HIS A 106 0.409 6.233 1.259 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.717 6.081 1.668 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.330 6.312 2.391 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.765 6.067 2.988 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.536 6.206 3.451 1.00 0.00 N ATOM 0 H HIS A 106 -2.470 5.769 -0.608 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.982 8.151 0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.358 5.306 -0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.882 6.507 -0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.401 6.435 2.449 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.657 5.960 3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.273 6.231 4.436 1.00 0.00 H new ATOM 1652 N THR A 107 -1.013 7.016 -2.878 1.00 0.00 N ATOM 1653 CA THR A 107 -0.861 7.420 -4.270 1.00 0.00 C ATOM 1654 C THR A 107 -1.685 8.665 -4.574 1.00 0.00 C ATOM 1655 O THR A 107 -1.310 9.477 -5.419 1.00 0.00 O ATOM 1656 CB THR A 107 -1.280 6.292 -5.232 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.623 6.455 -6.494 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.788 6.288 -5.436 1.00 0.00 C ATOM 0 H THR A 107 -1.214 6.025 -2.746 1.00 0.00 H new ATOM 0 HA THR A 107 0.196 7.641 -4.421 1.00 0.00 H new ATOM 0 HB THR A 107 -0.986 5.340 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.893 5.733 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.061 5.483 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.284 6.135 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.101 7.243 -5.858 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.810 8.809 -3.880 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.688 9.957 -4.078 1.00 0.00 C ATOM 1668 C GLU A 108 -3.133 11.193 -3.376 1.00 0.00 C ATOM 1669 O GLU A 108 -3.131 12.289 -3.936 1.00 0.00 O ATOM 1670 CB GLU A 108 -5.093 9.649 -3.556 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.983 10.874 -3.446 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.597 11.271 -4.774 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.548 10.592 -5.214 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -6.126 12.260 -5.374 1.00 0.00 O ATOM 0 H GLU A 108 -3.135 8.146 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.742 10.160 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.567 8.924 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.012 9.180 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.778 10.677 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.400 11.708 -3.056 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.663 11.008 -2.147 1.00 0.00 N ATOM 1682 CA ALA A 109 -2.104 12.106 -1.369 1.00 0.00 C ATOM 1683 C ALA A 109 -0.917 12.739 -2.087 1.00 0.00 C ATOM 1684 O ALA A 109 -0.813 13.963 -2.174 1.00 0.00 O ATOM 1685 CB ALA A 109 -1.690 11.618 0.011 1.00 0.00 C ATOM 0 H ALA A 109 -2.658 10.107 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.875 12.868 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.274 12.449 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.560 11.220 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.938 10.835 -0.090 1.00 0.00 H new