USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 566 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 10 TYR OH : rot 30:sc= -0.147 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -4.69! C(o=-5.3!,f=-8.3!) USER MOD Set 1.3: A 43 MET CE :methyl -143:sc= -0.447 (180deg=-1.39!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 54:sc= 0.289 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 61:sc= 1.08 USER MOD Single : A 21 THR OG1 : rot 75:sc= 0.337 USER MOD Single : A 23 CYS SG : rot -166:sc= -1.12! USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 27 THR OG1 : rot 129:sc= -4.2! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 62:sc= 0.901 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 81:sc= -2.16 USER MOD Single : A 46 HIS : no HD1:sc= -8.65! C(o=-8.7!,f=-11!) USER MOD Single : A 48 SER OG : rot 170:sc= -2.31! USER MOD Single : A 50 SER OG : rot 180:sc= 0.0925 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 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 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0816 X(o=-0.082,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 8.240 -2.056 -9.436 1.00 1.00 N ATOM 53 CA LYS A 4 7.663 -1.032 -10.347 1.00 1.00 C ATOM 54 C LYS A 4 8.386 0.299 -10.145 1.00 1.00 C ATOM 55 O LYS A 4 9.541 0.334 -9.770 1.00 1.00 O ATOM 56 CB LYS A 4 6.185 -0.896 -10.055 1.00 1.00 C ATOM 57 CG LYS A 4 5.600 -2.286 -10.196 1.00 1.00 C ATOM 58 CD LYS A 4 4.195 -2.213 -10.768 1.00 1.00 C ATOM 59 CE LYS A 4 3.595 -3.618 -10.839 1.00 1.00 C ATOM 60 NZ LYS A 4 2.968 -3.828 -12.175 1.00 1.00 N ATOM 0 HA LYS A 4 7.791 -1.334 -11.386 1.00 1.00 H new ATOM 0 HB2 LYS A 4 6.020 -0.504 -9.051 1.00 1.00 H new ATOM 0 HB3 LYS A 4 5.713 -0.202 -10.750 1.00 1.00 H new ATOM 0 HG2 LYS A 4 6.233 -2.890 -10.846 1.00 1.00 H new ATOM 0 HG3 LYS A 4 5.579 -2.779 -9.224 1.00 1.00 H new ATOM 0 HD2 LYS A 4 3.571 -1.572 -10.146 1.00 1.00 H new ATOM 0 HD3 LYS A 4 4.219 -1.767 -11.762 1.00 1.00 H new ATOM 0 HE2 LYS A 4 4.371 -4.365 -10.669 1.00 1.00 H new ATOM 0 HE3 LYS A 4 2.851 -3.747 -10.053 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 2.561 -4.784 -12.221 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 2.216 -3.124 -12.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 3.689 -3.723 -12.917 1.00 1.00 H new ATOM 74 N HIS A 5 7.723 1.390 -10.382 1.00 1.00 N ATOM 75 CA HIS A 5 8.381 2.715 -10.194 1.00 1.00 C ATOM 76 C HIS A 5 7.717 3.437 -9.024 1.00 1.00 C ATOM 77 O HIS A 5 8.365 4.075 -8.218 1.00 1.00 O ATOM 78 CB HIS A 5 8.222 3.546 -11.467 1.00 1.00 C ATOM 79 CG HIS A 5 8.941 4.858 -11.305 1.00 1.00 C ATOM 80 ND1 HIS A 5 8.301 6.076 -11.471 1.00 1.00 N ATOM 81 CD2 HIS A 5 10.246 5.157 -10.997 1.00 1.00 C ATOM 82 CE1 HIS A 5 9.213 7.045 -11.262 1.00 1.00 C ATOM 83 NE2 HIS A 5 10.414 6.539 -10.970 1.00 1.00 N ATOM 0 H HIS A 5 6.754 1.426 -10.698 1.00 1.00 H new ATOM 0 HA HIS A 5 9.442 2.576 -9.986 1.00 1.00 H new ATOM 0 HB2 HIS A 5 8.625 3.002 -12.321 1.00 1.00 H new ATOM 0 HB3 HIS A 5 7.165 3.721 -11.670 1.00 1.00 H new ATOM 0 HD2 HIS A 5 11.023 4.431 -10.805 1.00 1.00 H new ATOM 0 HE1 HIS A 5 8.999 8.102 -11.323 1.00 1.00 H new ATOM 0 HE2 HIS A 5 11.271 7.055 -10.770 1.00 1.00 H new ATOM 91 N SER A 6 6.423 3.334 -8.931 1.00 1.00 N ATOM 92 CA SER A 6 5.686 3.995 -7.830 1.00 1.00 C ATOM 93 C SER A 6 4.241 3.509 -7.851 1.00 1.00 C ATOM 94 O SER A 6 3.905 2.582 -8.563 1.00 1.00 O ATOM 95 CB SER A 6 5.717 5.489 -8.029 1.00 1.00 C ATOM 96 OG SER A 6 6.596 6.076 -7.079 1.00 1.00 O ATOM 0 H SER A 6 5.839 2.811 -9.583 1.00 1.00 H new ATOM 0 HA SER A 6 6.148 3.752 -6.873 1.00 1.00 H new ATOM 0 HB2 SER A 6 6.048 5.725 -9.040 1.00 1.00 H new ATOM 0 HB3 SER A 6 4.715 5.902 -7.917 1.00 1.00 H new ATOM 0 HG SER A 6 7.472 5.640 -7.131 1.00 1.00 H new ATOM 102 N ILE A 7 3.377 4.121 -7.098 1.00 1.00 N ATOM 103 CA ILE A 7 1.960 3.677 -7.116 1.00 1.00 C ATOM 104 C ILE A 7 1.398 3.921 -8.522 1.00 1.00 C ATOM 105 O ILE A 7 0.377 3.381 -8.901 1.00 1.00 O ATOM 106 CB ILE A 7 1.163 4.462 -6.059 1.00 1.00 C ATOM 107 CG1 ILE A 7 -0.004 3.605 -5.566 1.00 1.00 C ATOM 108 CG2 ILE A 7 0.619 5.767 -6.649 1.00 1.00 C ATOM 109 CD1 ILE A 7 0.024 3.550 -4.041 1.00 1.00 C ATOM 0 H ILE A 7 3.587 4.902 -6.476 1.00 1.00 H new ATOM 0 HA ILE A 7 1.883 2.616 -6.877 1.00 1.00 H new ATOM 0 HB ILE A 7 1.827 4.704 -5.229 1.00 1.00 H new ATOM 0 HG12 ILE A 7 -0.950 4.024 -5.910 1.00 1.00 H new ATOM 0 HG13 ILE A 7 0.068 2.599 -5.980 1.00 1.00 H new ATOM 0 HG21 ILE A 7 0.059 6.306 -5.885 1.00 1.00 H new ATOM 0 HG22 ILE A 7 1.449 6.384 -6.994 1.00 1.00 H new ATOM 0 HG23 ILE A 7 -0.038 5.541 -7.489 1.00 1.00 H new ATOM 0 HD11 ILE A 7 -0.806 2.940 -3.684 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.965 3.111 -3.710 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.068 4.559 -3.639 1.00 1.00 H new ATOM 121 N SER A 8 2.073 4.730 -9.296 1.00 1.00 N ATOM 122 CA SER A 8 1.601 5.018 -10.681 1.00 1.00 C ATOM 123 C SER A 8 1.650 3.735 -11.517 1.00 1.00 C ATOM 124 O SER A 8 0.864 3.551 -12.426 1.00 1.00 O ATOM 125 CB SER A 8 2.502 6.077 -11.316 1.00 1.00 C ATOM 126 OG SER A 8 1.920 6.516 -12.538 1.00 1.00 O ATOM 0 H SER A 8 2.934 5.205 -9.026 1.00 1.00 H new ATOM 0 HA SER A 8 0.576 5.387 -10.646 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.628 6.920 -10.636 1.00 1.00 H new ATOM 0 HB3 SER A 8 3.494 5.665 -11.500 1.00 1.00 H new ATOM 0 HG SER A 8 2.494 7.196 -12.948 1.00 1.00 H new ATOM 132 N ASP A 9 2.554 2.840 -11.216 1.00 1.00 N ATOM 133 CA ASP A 9 2.621 1.573 -11.998 1.00 1.00 C ATOM 134 C ASP A 9 1.528 0.636 -11.497 1.00 1.00 C ATOM 135 O ASP A 9 0.975 -0.151 -12.236 1.00 1.00 O ATOM 136 CB ASP A 9 3.972 0.890 -11.821 1.00 1.00 C ATOM 137 CG ASP A 9 4.648 0.739 -13.184 1.00 1.00 C ATOM 138 OD1 ASP A 9 4.342 -0.220 -13.873 1.00 1.00 O ATOM 139 OD2 ASP A 9 5.462 1.586 -13.517 1.00 1.00 O ATOM 0 H ASP A 9 3.243 2.931 -10.469 1.00 1.00 H new ATOM 0 HA ASP A 9 2.485 1.805 -13.054 1.00 1.00 H new ATOM 0 HB2 ASP A 9 4.603 1.476 -11.153 1.00 1.00 H new ATOM 0 HB3 ASP A 9 3.839 -0.088 -11.358 1.00 1.00 H new ATOM 144 N TYR A 10 1.212 0.728 -10.235 1.00 1.00 N ATOM 145 CA TYR A 10 0.154 -0.144 -9.663 1.00 1.00 C ATOM 146 C TYR A 10 -1.195 0.562 -9.777 1.00 1.00 C ATOM 147 O TYR A 10 -1.341 1.703 -9.385 1.00 1.00 O ATOM 148 CB TYR A 10 0.449 -0.395 -8.183 1.00 1.00 C ATOM 149 CG TYR A 10 1.550 -1.415 -8.038 1.00 1.00 C ATOM 150 CD1 TYR A 10 1.235 -2.777 -7.951 1.00 1.00 C ATOM 151 CD2 TYR A 10 2.885 -1.000 -7.976 1.00 1.00 C ATOM 152 CE1 TYR A 10 2.256 -3.723 -7.805 1.00 1.00 C ATOM 153 CE2 TYR A 10 3.906 -1.946 -7.827 1.00 1.00 C ATOM 154 CZ TYR A 10 3.590 -3.306 -7.743 1.00 1.00 C ATOM 155 OH TYR A 10 4.596 -4.239 -7.594 1.00 1.00 O ATOM 0 H TYR A 10 1.644 1.373 -9.574 1.00 1.00 H new ATOM 0 HA TYR A 10 0.131 -1.089 -10.205 1.00 1.00 H new ATOM 0 HB2 TYR A 10 0.741 0.537 -7.700 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.451 -0.747 -7.680 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.205 -3.097 -7.997 1.00 1.00 H new ATOM 0 HD2 TYR A 10 3.128 0.050 -8.043 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.014 -4.774 -7.740 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.936 -1.626 -7.777 1.00 1.00 H new ATOM 0 HH TYR A 10 4.322 -5.084 -8.008 1.00 1.00 H new ATOM 165 N THR A 11 -2.188 -0.107 -10.288 1.00 1.00 N ATOM 166 CA THR A 11 -3.523 0.537 -10.395 1.00 1.00 C ATOM 167 C THR A 11 -4.134 0.584 -8.994 1.00 1.00 C ATOM 168 O THR A 11 -3.553 0.100 -8.046 1.00 1.00 O ATOM 169 CB THR A 11 -4.417 -0.284 -11.327 1.00 1.00 C ATOM 170 OG1 THR A 11 -4.199 -1.667 -11.097 1.00 1.00 O ATOM 171 CG2 THR A 11 -4.084 0.052 -12.781 1.00 1.00 C ATOM 0 H THR A 11 -2.134 -1.065 -10.634 1.00 1.00 H new ATOM 0 HA THR A 11 -3.431 1.544 -10.802 1.00 1.00 H new ATOM 0 HB THR A 11 -5.462 -0.045 -11.130 1.00 1.00 H new ATOM 0 HG1 THR A 11 -4.773 -2.192 -11.693 1.00 1.00 H new ATOM 0 HG21 THR A 11 -4.721 -0.533 -13.445 1.00 1.00 H new ATOM 0 HG22 THR A 11 -4.255 1.114 -12.957 1.00 1.00 H new ATOM 0 HG23 THR A 11 -3.039 -0.185 -12.979 1.00 1.00 H new ATOM 179 N GLU A 12 -5.294 1.156 -8.841 1.00 1.00 N ATOM 180 CA GLU A 12 -5.906 1.209 -7.483 1.00 1.00 C ATOM 181 C GLU A 12 -6.236 -0.215 -7.038 1.00 1.00 C ATOM 182 O GLU A 12 -6.417 -0.490 -5.867 1.00 1.00 O ATOM 183 CB GLU A 12 -7.186 2.036 -7.530 1.00 1.00 C ATOM 184 CG GLU A 12 -8.181 1.306 -8.411 1.00 1.00 C ATOM 185 CD GLU A 12 -9.355 0.808 -7.565 1.00 1.00 C ATOM 186 OE1 GLU A 12 -9.139 0.522 -6.400 1.00 1.00 O ATOM 187 OE2 GLU A 12 -10.448 0.721 -8.099 1.00 1.00 O ATOM 0 H GLU A 12 -5.841 1.585 -9.587 1.00 1.00 H new ATOM 0 HA GLU A 12 -5.210 1.668 -6.781 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -7.591 2.170 -6.527 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -6.983 3.031 -7.927 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -8.542 1.971 -9.195 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -7.694 0.465 -8.905 1.00 1.00 H new ATOM 194 N ALA A 13 -6.310 -1.122 -7.970 1.00 1.00 N ATOM 195 CA ALA A 13 -6.629 -2.532 -7.624 1.00 1.00 C ATOM 196 C ALA A 13 -5.332 -3.322 -7.465 1.00 1.00 C ATOM 197 O ALA A 13 -5.097 -3.940 -6.446 1.00 1.00 O ATOM 198 CB ALA A 13 -7.465 -3.145 -8.748 1.00 1.00 C ATOM 0 H ALA A 13 -6.162 -0.945 -8.964 1.00 1.00 H new ATOM 0 HA ALA A 13 -7.189 -2.565 -6.689 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -7.703 -4.180 -8.502 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -8.389 -2.578 -8.865 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -6.900 -3.115 -9.680 1.00 1.00 H new ATOM 204 N GLU A 14 -4.479 -3.303 -8.454 1.00 1.00 N ATOM 205 CA GLU A 14 -3.207 -4.039 -8.347 1.00 1.00 C ATOM 206 C GLU A 14 -2.521 -3.637 -7.045 1.00 1.00 C ATOM 207 O GLU A 14 -1.890 -4.439 -6.387 1.00 1.00 O ATOM 208 CB GLU A 14 -2.341 -3.659 -9.537 1.00 1.00 C ATOM 209 CG GLU A 14 -2.161 -4.878 -10.436 1.00 1.00 C ATOM 210 CD GLU A 14 -0.672 -5.199 -10.574 1.00 1.00 C ATOM 211 OE1 GLU A 14 0.096 -4.275 -10.792 1.00 1.00 O ATOM 212 OE2 GLU A 14 -0.324 -6.362 -10.459 1.00 1.00 O ATOM 0 H GLU A 14 -4.618 -2.804 -9.332 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.373 -5.116 -8.345 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -2.805 -2.846 -10.095 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.371 -3.298 -9.195 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -2.690 -5.733 -10.016 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -2.594 -4.686 -11.418 1.00 1.00 H new ATOM 219 N PHE A 15 -2.663 -2.401 -6.655 1.00 1.00 N ATOM 220 CA PHE A 15 -2.041 -1.958 -5.380 1.00 1.00 C ATOM 221 C PHE A 15 -2.871 -2.526 -4.234 1.00 1.00 C ATOM 222 O PHE A 15 -2.348 -3.032 -3.261 1.00 1.00 O ATOM 223 CB PHE A 15 -2.033 -0.433 -5.307 1.00 1.00 C ATOM 224 CG PHE A 15 -0.980 0.013 -4.323 1.00 1.00 C ATOM 225 CD1 PHE A 15 0.360 -0.342 -4.520 1.00 1.00 C ATOM 226 CD2 PHE A 15 -1.343 0.779 -3.211 1.00 1.00 C ATOM 227 CE1 PHE A 15 1.336 0.071 -3.606 1.00 1.00 C ATOM 228 CE2 PHE A 15 -0.369 1.194 -2.298 1.00 1.00 C ATOM 229 CZ PHE A 15 0.972 0.839 -2.493 1.00 1.00 C ATOM 0 H PHE A 15 -3.180 -1.683 -7.162 1.00 1.00 H new ATOM 0 HA PHE A 15 -1.012 -2.311 -5.317 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -1.829 -0.011 -6.291 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -3.013 -0.067 -5.000 1.00 1.00 H new ATOM 0 HD1 PHE A 15 0.641 -0.935 -5.378 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -2.377 1.050 -3.057 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.370 -0.202 -3.759 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -0.651 1.789 -1.442 1.00 1.00 H new ATOM 0 HZ PHE A 15 1.724 1.157 -1.786 1.00 1.00 H new ATOM 239 N LEU A 16 -4.168 -2.466 -4.358 1.00 1.00 N ATOM 240 CA LEU A 16 -5.043 -3.026 -3.296 1.00 1.00 C ATOM 241 C LEU A 16 -4.706 -4.508 -3.129 1.00 1.00 C ATOM 242 O LEU A 16 -5.001 -5.116 -2.118 1.00 1.00 O ATOM 243 CB LEU A 16 -6.502 -2.868 -3.726 1.00 1.00 C ATOM 244 CG LEU A 16 -7.413 -2.835 -2.506 1.00 1.00 C ATOM 245 CD1 LEU A 16 -8.723 -2.135 -2.872 1.00 1.00 C ATOM 246 CD2 LEU A 16 -7.711 -4.264 -2.043 1.00 1.00 C ATOM 0 H LEU A 16 -4.658 -2.052 -5.151 1.00 1.00 H new ATOM 0 HA LEU A 16 -4.889 -2.505 -2.351 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -6.621 -1.950 -4.302 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -6.787 -3.693 -4.379 1.00 1.00 H new ATOM 0 HG LEU A 16 -6.919 -2.292 -1.700 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -9.378 -2.110 -2.001 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -8.513 -1.116 -3.198 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -9.214 -2.680 -3.679 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -8.363 -4.235 -1.170 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -8.204 -4.811 -2.846 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -6.778 -4.764 -1.783 1.00 1.00 H new ATOM 258 N GLN A 17 -4.072 -5.086 -4.113 1.00 1.00 N ATOM 259 CA GLN A 17 -3.692 -6.523 -4.021 1.00 1.00 C ATOM 260 C GLN A 17 -2.406 -6.627 -3.206 1.00 1.00 C ATOM 261 O GLN A 17 -2.201 -7.565 -2.463 1.00 1.00 O ATOM 262 CB GLN A 17 -3.455 -7.081 -5.427 1.00 1.00 C ATOM 263 CG GLN A 17 -4.028 -8.496 -5.520 1.00 1.00 C ATOM 264 CD GLN A 17 -4.438 -8.782 -6.965 1.00 1.00 C ATOM 265 OE1 GLN A 17 -3.672 -9.337 -7.728 1.00 1.00 O ATOM 266 NE2 GLN A 17 -5.622 -8.422 -7.375 1.00 1.00 N ATOM 0 H GLN A 17 -3.800 -4.622 -4.980 1.00 1.00 H new ATOM 0 HA GLN A 17 -4.488 -7.094 -3.543 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -3.927 -6.437 -6.169 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -2.388 -7.094 -5.649 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -3.286 -9.223 -5.190 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -4.889 -8.596 -4.859 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -6.264 -7.956 -6.734 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -5.906 -8.606 -8.337 1.00 1.00 H new ATOM 275 N LEU A 18 -1.541 -5.658 -3.333 1.00 1.00 N ATOM 276 CA LEU A 18 -0.269 -5.677 -2.558 1.00 1.00 C ATOM 277 C LEU A 18 -0.606 -5.564 -1.072 1.00 1.00 C ATOM 278 O LEU A 18 -0.196 -6.380 -0.272 1.00 1.00 O ATOM 279 CB LEU A 18 0.601 -4.488 -2.987 1.00 1.00 C ATOM 280 CG LEU A 18 1.929 -4.495 -2.222 1.00 1.00 C ATOM 281 CD1 LEU A 18 3.080 -4.771 -3.193 1.00 1.00 C ATOM 282 CD2 LEU A 18 2.139 -3.129 -1.563 1.00 1.00 C ATOM 0 H LEU A 18 -1.662 -4.850 -3.944 1.00 1.00 H new ATOM 0 HA LEU A 18 0.276 -6.602 -2.744 1.00 1.00 H new ATOM 0 HB2 LEU A 18 0.791 -4.536 -4.059 1.00 1.00 H new ATOM 0 HB3 LEU A 18 0.071 -3.554 -2.799 1.00 1.00 H new ATOM 0 HG LEU A 18 1.905 -5.273 -1.459 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.023 -4.776 -2.647 1.00 1.00 H new ATOM 0 HD12 LEU A 18 2.931 -5.741 -3.668 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.106 -3.993 -3.956 1.00 1.00 H new ATOM 0 HD21 LEU A 18 3.083 -3.129 -1.018 1.00 1.00 H new ATOM 0 HD22 LEU A 18 2.164 -2.355 -2.330 1.00 1.00 H new ATOM 0 HD23 LEU A 18 1.320 -2.929 -0.872 1.00 1.00 H new ATOM 294 N VAL A 19 -1.364 -4.567 -0.704 1.00 1.00 N ATOM 295 CA VAL A 19 -1.748 -4.399 0.728 1.00 1.00 C ATOM 296 C VAL A 19 -2.471 -5.655 1.206 1.00 1.00 C ATOM 297 O VAL A 19 -2.361 -6.040 2.349 1.00 1.00 O ATOM 298 CB VAL A 19 -2.661 -3.184 0.862 1.00 1.00 C ATOM 299 CG1 VAL A 19 -3.399 -3.226 2.203 1.00 1.00 C ATOM 300 CG2 VAL A 19 -1.818 -1.909 0.787 1.00 1.00 C ATOM 0 H VAL A 19 -1.736 -3.858 -1.336 1.00 1.00 H new ATOM 0 HA VAL A 19 -0.858 -4.247 1.338 1.00 1.00 H new ATOM 0 HB VAL A 19 -3.392 -3.194 0.053 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -4.048 -2.354 2.289 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -4.001 -4.133 2.259 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.675 -3.220 3.017 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -2.466 -1.038 0.882 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -1.087 -1.908 1.596 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -1.299 -1.872 -0.171 1.00 1.00 H new ATOM 310 N THR A 20 -3.204 -6.307 0.349 1.00 1.00 N ATOM 311 CA THR A 20 -3.907 -7.541 0.790 1.00 1.00 C ATOM 312 C THR A 20 -2.860 -8.604 1.119 1.00 1.00 C ATOM 313 O THR A 20 -2.940 -9.275 2.126 1.00 1.00 O ATOM 314 CB THR A 20 -4.824 -8.055 -0.324 1.00 1.00 C ATOM 315 OG1 THR A 20 -5.734 -7.029 -0.698 1.00 1.00 O ATOM 316 CG2 THR A 20 -5.599 -9.277 0.178 1.00 1.00 C ATOM 0 H THR A 20 -3.346 -6.043 -0.626 1.00 1.00 H new ATOM 0 HA THR A 20 -4.514 -7.322 1.668 1.00 1.00 H new ATOM 0 HB THR A 20 -4.226 -8.339 -1.190 1.00 1.00 H new ATOM 0 HG1 THR A 20 -5.235 -6.257 -1.038 1.00 1.00 H new ATOM 0 HG21 THR A 20 -6.252 -9.644 -0.614 1.00 1.00 H new ATOM 0 HG22 THR A 20 -4.897 -10.061 0.462 1.00 1.00 H new ATOM 0 HG23 THR A 20 -6.200 -8.997 1.043 1.00 1.00 H new ATOM 324 N THR A 21 -1.872 -8.755 0.283 1.00 1.00 N ATOM 325 CA THR A 21 -0.820 -9.770 0.559 1.00 1.00 C ATOM 326 C THR A 21 -0.132 -9.434 1.882 1.00 1.00 C ATOM 327 O THR A 21 0.486 -10.274 2.503 1.00 1.00 O ATOM 328 CB THR A 21 0.209 -9.759 -0.573 1.00 1.00 C ATOM 329 OG1 THR A 21 -0.450 -9.973 -1.813 1.00 1.00 O ATOM 330 CG2 THR A 21 1.236 -10.867 -0.341 1.00 1.00 C ATOM 0 H THR A 21 -1.748 -8.221 -0.577 1.00 1.00 H new ATOM 0 HA THR A 21 -1.272 -10.760 0.624 1.00 1.00 H new ATOM 0 HB THR A 21 0.717 -8.795 -0.594 1.00 1.00 H new ATOM 0 HG1 THR A 21 -0.925 -9.157 -2.076 1.00 1.00 H new ATOM 0 HG21 THR A 21 1.969 -10.859 -1.148 1.00 1.00 H new ATOM 0 HG22 THR A 21 1.742 -10.701 0.610 1.00 1.00 H new ATOM 0 HG23 THR A 21 0.731 -11.833 -0.320 1.00 1.00 H new ATOM 338 N ILE A 22 -0.237 -8.208 2.317 1.00 1.00 N ATOM 339 CA ILE A 22 0.411 -7.819 3.599 1.00 1.00 C ATOM 340 C ILE A 22 -0.541 -8.107 4.765 1.00 1.00 C ATOM 341 O ILE A 22 -0.290 -8.966 5.582 1.00 1.00 O ATOM 342 CB ILE A 22 0.763 -6.327 3.558 1.00 1.00 C ATOM 343 CG1 ILE A 22 1.236 -5.969 2.138 1.00 1.00 C ATOM 344 CG2 ILE A 22 1.875 -6.051 4.582 1.00 1.00 C ATOM 345 CD1 ILE A 22 2.269 -4.838 2.176 1.00 1.00 C ATOM 0 H ILE A 22 -0.743 -7.461 1.840 1.00 1.00 H new ATOM 0 HA ILE A 22 1.324 -8.397 3.740 1.00 1.00 H new ATOM 0 HB ILE A 22 -0.107 -5.719 3.807 1.00 1.00 H new ATOM 0 HG12 ILE A 22 1.671 -6.848 1.662 1.00 1.00 H new ATOM 0 HG13 ILE A 22 0.382 -5.667 1.531 1.00 1.00 H new ATOM 0 HG21 ILE A 22 2.134 -4.992 4.562 1.00 1.00 H new ATOM 0 HG22 ILE A 22 1.526 -6.320 5.579 1.00 1.00 H new ATOM 0 HG23 ILE A 22 2.755 -6.644 4.333 1.00 1.00 H new ATOM 0 HD11 ILE A 22 2.588 -4.603 1.161 1.00 1.00 H new ATOM 0 HD12 ILE A 22 1.823 -3.953 2.631 1.00 1.00 H new ATOM 0 HD13 ILE A 22 3.131 -5.152 2.764 1.00 1.00 H new ATOM 357 N CYS A 23 -1.632 -7.402 4.849 1.00 1.00 N ATOM 358 CA CYS A 23 -2.590 -7.645 5.962 1.00 1.00 C ATOM 359 C CYS A 23 -2.969 -9.126 6.014 1.00 1.00 C ATOM 360 O CYS A 23 -2.722 -9.808 6.988 1.00 1.00 O ATOM 361 CB CYS A 23 -3.848 -6.806 5.738 1.00 1.00 C ATOM 362 SG CYS A 23 -4.282 -5.954 7.276 1.00 1.00 S ATOM 0 H CYS A 23 -1.903 -6.667 4.195 1.00 1.00 H new ATOM 0 HA CYS A 23 -2.122 -7.364 6.905 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -3.678 -6.080 4.943 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -4.672 -7.444 5.417 1.00 1.00 H new ATOM 0 HG CYS A 23 -5.491 -5.484 7.185 1.00 1.00 H new ATOM 368 N ASN A 24 -3.574 -9.624 4.976 1.00 1.00 N ATOM 369 CA ASN A 24 -3.982 -11.061 4.959 1.00 1.00 C ATOM 370 C ASN A 24 -2.766 -11.951 5.228 1.00 1.00 C ATOM 371 O ASN A 24 -2.901 -13.115 5.552 1.00 1.00 O ATOM 372 CB ASN A 24 -4.572 -11.417 3.590 1.00 1.00 C ATOM 373 CG ASN A 24 -6.099 -11.367 3.658 1.00 1.00 C ATOM 374 OD1 ASN A 24 -6.700 -10.212 3.735 1.00 1.00 O flip ATOM 375 ND2 ASN A 24 -6.752 -12.392 3.640 1.00 1.00 N flip ATOM 0 H ASN A 24 -3.806 -9.099 4.133 1.00 1.00 H new ATOM 0 HA ASN A 24 -4.731 -11.224 5.734 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -4.209 -10.720 2.834 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -4.244 -12.412 3.290 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -6.282 -13.295 3.580 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.770 -12.349 3.685 1.00 1.00 H new ATOM 382 N ALA A 25 -1.582 -11.424 5.087 1.00 1.00 N ATOM 383 CA ALA A 25 -0.372 -12.256 5.325 1.00 1.00 C ATOM 384 C ALA A 25 -0.400 -13.459 4.381 1.00 1.00 C ATOM 385 O ALA A 25 -0.504 -14.593 4.802 1.00 1.00 O ATOM 386 CB ALA A 25 -0.363 -12.742 6.776 1.00 1.00 C ATOM 0 H ALA A 25 -1.401 -10.457 4.818 1.00 1.00 H new ATOM 0 HA ALA A 25 0.525 -11.664 5.139 1.00 1.00 H new ATOM 0 HB1 ALA A 25 0.524 -13.352 6.950 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -0.350 -11.883 7.447 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -1.256 -13.338 6.966 1.00 1.00 H new ATOM 392 N ASP A 26 -0.318 -13.214 3.101 1.00 1.00 N ATOM 393 CA ASP A 26 -0.353 -14.325 2.116 1.00 1.00 C ATOM 394 C ASP A 26 1.061 -14.640 1.642 1.00 1.00 C ATOM 395 O ASP A 26 1.267 -15.362 0.688 1.00 1.00 O ATOM 396 CB ASP A 26 -1.191 -13.872 0.933 1.00 1.00 C ATOM 397 CG ASP A 26 -2.075 -15.022 0.447 1.00 1.00 C ATOM 398 OD1 ASP A 26 -2.801 -15.570 1.262 1.00 1.00 O ATOM 399 OD2 ASP A 26 -2.013 -15.336 -0.729 1.00 1.00 O ATOM 0 H ASP A 26 -0.228 -12.282 2.695 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.779 -15.220 2.571 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -1.811 -13.022 1.220 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -0.542 -13.535 0.125 1.00 1.00 H new ATOM 404 N THR A 27 2.031 -14.096 2.304 1.00 1.00 N ATOM 405 CA THR A 27 3.439 -14.338 1.913 1.00 1.00 C ATOM 406 C THR A 27 3.929 -15.641 2.523 1.00 1.00 C ATOM 407 O THR A 27 3.169 -16.431 3.048 1.00 1.00 O ATOM 408 CB THR A 27 4.308 -13.182 2.412 1.00 1.00 C ATOM 409 OG1 THR A 27 4.352 -13.206 3.830 1.00 1.00 O ATOM 410 CG2 THR A 27 3.714 -11.856 1.941 1.00 1.00 C ATOM 0 H THR A 27 1.908 -13.485 3.111 1.00 1.00 H new ATOM 0 HA THR A 27 3.505 -14.406 0.827 1.00 1.00 H new ATOM 0 HB THR A 27 5.317 -13.286 2.014 1.00 1.00 H new ATOM 0 HG1 THR A 27 5.284 -13.167 4.129 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.334 -11.033 2.297 1.00 1.00 H new ATOM 0 HG22 THR A 27 3.679 -11.839 0.852 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.705 -11.748 2.338 1.00 1.00 H new ATOM 418 N SER A 28 5.202 -15.857 2.457 1.00 1.00 N ATOM 419 CA SER A 28 5.788 -17.098 3.029 1.00 1.00 C ATOM 420 C SER A 28 6.187 -16.832 4.476 1.00 1.00 C ATOM 421 O SER A 28 6.873 -17.619 5.098 1.00 1.00 O ATOM 422 CB SER A 28 7.024 -17.501 2.221 1.00 1.00 C ATOM 423 OG SER A 28 6.632 -17.839 0.898 1.00 1.00 O ATOM 0 H SER A 28 5.875 -15.222 2.027 1.00 1.00 H new ATOM 0 HA SER A 28 5.057 -17.906 2.989 1.00 1.00 H new ATOM 0 HB2 SER A 28 7.742 -16.682 2.201 1.00 1.00 H new ATOM 0 HB3 SER A 28 7.520 -18.349 2.693 1.00 1.00 H new ATOM 0 HG SER A 28 7.422 -18.096 0.378 1.00 1.00 H new ATOM 429 N SER A 29 5.756 -15.725 5.021 1.00 1.00 N ATOM 430 CA SER A 29 6.105 -15.408 6.433 1.00 1.00 C ATOM 431 C SER A 29 5.859 -13.925 6.713 1.00 1.00 C ATOM 432 O SER A 29 5.523 -13.165 5.832 1.00 1.00 O ATOM 433 CB SER A 29 7.580 -15.732 6.683 1.00 1.00 C ATOM 434 OG SER A 29 7.688 -17.047 7.213 1.00 1.00 O ATOM 0 H SER A 29 5.179 -15.029 4.549 1.00 1.00 H new ATOM 0 HA SER A 29 5.480 -16.007 7.095 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.144 -15.655 5.753 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.010 -15.011 7.378 1.00 1.00 H new ATOM 0 HG SER A 29 7.336 -17.691 6.564 1.00 1.00 H new ATOM 440 N GLU A 30 6.027 -13.511 7.939 1.00 1.00 N ATOM 441 CA GLU A 30 5.802 -12.078 8.278 1.00 1.00 C ATOM 442 C GLU A 30 6.936 -11.228 7.698 1.00 1.00 C ATOM 443 O GLU A 30 6.754 -10.069 7.379 1.00 1.00 O ATOM 444 CB GLU A 30 5.762 -11.913 9.797 1.00 1.00 C ATOM 445 CG GLU A 30 4.395 -12.353 10.323 1.00 1.00 C ATOM 446 CD GLU A 30 3.295 -11.533 9.643 1.00 1.00 C ATOM 447 OE1 GLU A 30 3.534 -10.365 9.379 1.00 1.00 O ATOM 448 OE2 GLU A 30 2.236 -12.086 9.398 1.00 1.00 O ATOM 0 H GLU A 30 6.310 -14.103 8.720 1.00 1.00 H new ATOM 0 HA GLU A 30 4.853 -11.750 7.853 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.550 -12.508 10.259 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.949 -10.873 10.065 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.244 -13.415 10.129 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.349 -12.217 11.403 1.00 1.00 H new ATOM 455 N GLU A 31 8.106 -11.791 7.557 1.00 1.00 N ATOM 456 CA GLU A 31 9.244 -11.007 6.997 1.00 1.00 C ATOM 457 C GLU A 31 8.851 -10.452 5.627 1.00 1.00 C ATOM 458 O GLU A 31 8.871 -9.258 5.402 1.00 1.00 O ATOM 459 CB GLU A 31 10.470 -11.911 6.852 1.00 1.00 C ATOM 460 CG GLU A 31 11.692 -11.062 6.499 1.00 1.00 C ATOM 461 CD GLU A 31 12.203 -11.456 5.113 1.00 1.00 C ATOM 462 OE1 GLU A 31 11.994 -12.595 4.726 1.00 1.00 O ATOM 463 OE2 GLU A 31 12.799 -10.615 4.461 1.00 1.00 O ATOM 0 H GLU A 31 8.322 -12.757 7.804 1.00 1.00 H new ATOM 0 HA GLU A 31 9.483 -10.183 7.669 1.00 1.00 H new ATOM 0 HB2 GLU A 31 10.647 -12.453 7.781 1.00 1.00 H new ATOM 0 HB3 GLU A 31 10.296 -12.656 6.076 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.430 -10.004 6.515 1.00 1.00 H new ATOM 0 HG3 GLU A 31 12.476 -11.207 7.242 1.00 1.00 H new ATOM 470 N GLU A 32 8.482 -11.306 4.711 1.00 1.00 N ATOM 471 CA GLU A 32 8.078 -10.816 3.363 1.00 1.00 C ATOM 472 C GLU A 32 6.862 -9.903 3.515 1.00 1.00 C ATOM 473 O GLU A 32 6.537 -9.127 2.640 1.00 1.00 O ATOM 474 CB GLU A 32 7.722 -12.006 2.468 1.00 1.00 C ATOM 475 CG GLU A 32 8.995 -12.556 1.826 1.00 1.00 C ATOM 476 CD GLU A 32 8.647 -13.759 0.947 1.00 1.00 C ATOM 477 OE1 GLU A 32 8.004 -14.666 1.448 1.00 1.00 O ATOM 478 OE2 GLU A 32 9.028 -13.752 -0.212 1.00 1.00 O ATOM 0 H GLU A 32 8.443 -12.317 4.837 1.00 1.00 H new ATOM 0 HA GLU A 32 8.900 -10.264 2.908 1.00 1.00 H new ATOM 0 HB2 GLU A 32 7.232 -12.783 3.055 1.00 1.00 H new ATOM 0 HB3 GLU A 32 7.017 -11.697 1.697 1.00 1.00 H new ATOM 0 HG2 GLU A 32 9.476 -11.782 1.228 1.00 1.00 H new ATOM 0 HG3 GLU A 32 9.706 -12.850 2.598 1.00 1.00 H new ATOM 485 N LEU A 33 6.194 -9.985 4.634 1.00 1.00 N ATOM 486 CA LEU A 33 5.011 -9.128 4.870 1.00 1.00 C ATOM 487 C LEU A 33 5.490 -7.717 5.166 1.00 1.00 C ATOM 488 O LEU A 33 4.880 -6.738 4.783 1.00 1.00 O ATOM 489 CB LEU A 33 4.263 -9.684 6.075 1.00 1.00 C ATOM 490 CG LEU A 33 2.849 -10.091 5.674 1.00 1.00 C ATOM 491 CD1 LEU A 33 2.789 -11.610 5.540 1.00 1.00 C ATOM 492 CD2 LEU A 33 1.864 -9.637 6.752 1.00 1.00 C ATOM 0 H LEU A 33 6.425 -10.618 5.399 1.00 1.00 H new ATOM 0 HA LEU A 33 4.354 -9.112 4.000 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.797 -10.545 6.478 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.223 -8.934 6.865 1.00 1.00 H new ATOM 0 HG LEU A 33 2.586 -9.625 4.724 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.781 -11.910 5.253 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.496 -11.936 4.777 1.00 1.00 H new ATOM 0 HD13 LEU A 33 3.047 -12.070 6.494 1.00 1.00 H new ATOM 0 HD21 LEU A 33 0.853 -9.927 6.467 1.00 1.00 H new ATOM 0 HD22 LEU A 33 2.122 -10.106 7.701 1.00 1.00 H new ATOM 0 HD23 LEU A 33 1.914 -8.553 6.858 1.00 1.00 H new ATOM 504 N VAL A 34 6.601 -7.618 5.825 1.00 1.00 N ATOM 505 CA VAL A 34 7.170 -6.290 6.140 1.00 1.00 C ATOM 506 C VAL A 34 7.732 -5.720 4.850 1.00 1.00 C ATOM 507 O VAL A 34 7.395 -4.639 4.444 1.00 1.00 O ATOM 508 CB VAL A 34 8.257 -6.469 7.215 1.00 1.00 C ATOM 509 CG1 VAL A 34 9.656 -6.273 6.631 1.00 1.00 C ATOM 510 CG2 VAL A 34 8.030 -5.457 8.339 1.00 1.00 C ATOM 0 H VAL A 34 7.146 -8.411 6.163 1.00 1.00 H new ATOM 0 HA VAL A 34 6.423 -5.600 6.533 1.00 1.00 H new ATOM 0 HB VAL A 34 8.189 -7.486 7.603 1.00 1.00 H new ATOM 0 HG11 VAL A 34 10.400 -6.406 7.416 1.00 1.00 H new ATOM 0 HG12 VAL A 34 9.827 -7.005 5.842 1.00 1.00 H new ATOM 0 HG13 VAL A 34 9.740 -5.268 6.218 1.00 1.00 H new ATOM 0 HG21 VAL A 34 8.799 -5.582 9.102 1.00 1.00 H new ATOM 0 HG22 VAL A 34 8.081 -4.446 7.934 1.00 1.00 H new ATOM 0 HG23 VAL A 34 7.048 -5.621 8.783 1.00 1.00 H new ATOM 520 N LYS A 35 8.567 -6.456 4.184 1.00 1.00 N ATOM 521 CA LYS A 35 9.114 -5.943 2.903 1.00 1.00 C ATOM 522 C LYS A 35 7.941 -5.621 1.976 1.00 1.00 C ATOM 523 O LYS A 35 8.072 -4.885 1.018 1.00 1.00 O ATOM 524 CB LYS A 35 10.010 -7.000 2.255 1.00 1.00 C ATOM 525 CG LYS A 35 11.410 -6.927 2.865 1.00 1.00 C ATOM 526 CD LYS A 35 12.395 -6.393 1.824 1.00 1.00 C ATOM 527 CE LYS A 35 13.726 -6.063 2.504 1.00 1.00 C ATOM 528 NZ LYS A 35 14.696 -5.574 1.484 1.00 1.00 N ATOM 0 H LYS A 35 8.893 -7.381 4.465 1.00 1.00 H new ATOM 0 HA LYS A 35 9.710 -5.048 3.084 1.00 1.00 H new ATOM 0 HB2 LYS A 35 9.587 -7.993 2.407 1.00 1.00 H new ATOM 0 HB3 LYS A 35 10.062 -6.837 1.178 1.00 1.00 H new ATOM 0 HG2 LYS A 35 11.403 -6.278 3.741 1.00 1.00 H new ATOM 0 HG3 LYS A 35 11.722 -7.915 3.203 1.00 1.00 H new ATOM 0 HD2 LYS A 35 12.549 -7.134 1.040 1.00 1.00 H new ATOM 0 HD3 LYS A 35 11.988 -5.502 1.346 1.00 1.00 H new ATOM 0 HE2 LYS A 35 13.576 -5.304 3.272 1.00 1.00 H new ATOM 0 HE3 LYS A 35 14.121 -6.948 3.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 15.601 -5.349 1.945 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 14.847 -6.312 0.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 14.318 -4.719 1.028 1.00 1.00 H new ATOM 542 N LEU A 36 6.785 -6.160 2.268 1.00 1.00 N ATOM 543 CA LEU A 36 5.602 -5.893 1.443 1.00 1.00 C ATOM 544 C LEU A 36 5.031 -4.540 1.851 1.00 1.00 C ATOM 545 O LEU A 36 4.597 -3.754 1.031 1.00 1.00 O ATOM 546 CB LEU A 36 4.584 -6.983 1.749 1.00 1.00 C ATOM 547 CG LEU A 36 4.414 -7.902 0.536 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.777 -8.443 0.104 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.496 -9.069 0.906 1.00 1.00 C ATOM 0 H LEU A 36 6.623 -6.782 3.060 1.00 1.00 H new ATOM 0 HA LEU A 36 5.846 -5.882 0.381 1.00 1.00 H new ATOM 0 HB2 LEU A 36 4.910 -7.564 2.612 1.00 1.00 H new ATOM 0 HB3 LEU A 36 3.626 -6.533 2.011 1.00 1.00 H new ATOM 0 HG LEU A 36 3.974 -7.337 -0.286 1.00 1.00 H new ATOM 0 HD11 LEU A 36 5.652 -9.097 -0.759 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.431 -7.612 -0.161 1.00 1.00 H new ATOM 0 HD13 LEU A 36 6.221 -9.007 0.924 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.374 -9.724 0.043 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.936 -9.632 1.729 1.00 1.00 H new ATOM 0 HD23 LEU A 36 2.522 -8.684 1.210 1.00 1.00 H new ATOM 561 N VAL A 37 5.022 -4.273 3.130 1.00 1.00 N ATOM 562 CA VAL A 37 4.475 -2.986 3.627 1.00 1.00 C ATOM 563 C VAL A 37 5.447 -1.853 3.279 1.00 1.00 C ATOM 564 O VAL A 37 5.075 -0.863 2.684 1.00 1.00 O ATOM 565 CB VAL A 37 4.256 -3.100 5.148 1.00 1.00 C ATOM 566 CG1 VAL A 37 5.440 -2.528 5.925 1.00 1.00 C ATOM 567 CG2 VAL A 37 2.998 -2.333 5.534 1.00 1.00 C ATOM 0 H VAL A 37 5.374 -4.899 3.854 1.00 1.00 H new ATOM 0 HA VAL A 37 3.519 -2.762 3.155 1.00 1.00 H new ATOM 0 HB VAL A 37 4.155 -4.156 5.398 1.00 1.00 H new ATOM 0 HG11 VAL A 37 5.254 -2.624 6.995 1.00 1.00 H new ATOM 0 HG12 VAL A 37 6.345 -3.076 5.664 1.00 1.00 H new ATOM 0 HG13 VAL A 37 5.567 -1.475 5.672 1.00 1.00 H new ATOM 0 HG21 VAL A 37 2.840 -2.411 6.610 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.113 -1.284 5.260 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.140 -2.754 5.009 1.00 1.00 H new ATOM 577 N THR A 38 6.696 -2.003 3.624 1.00 1.00 N ATOM 578 CA THR A 38 7.690 -0.954 3.293 1.00 1.00 C ATOM 579 C THR A 38 7.518 -0.611 1.811 1.00 1.00 C ATOM 580 O THR A 38 7.538 0.540 1.421 1.00 1.00 O ATOM 581 CB THR A 38 9.103 -1.496 3.596 1.00 1.00 C ATOM 582 OG1 THR A 38 9.627 -0.823 4.731 1.00 1.00 O ATOM 583 CG2 THR A 38 10.048 -1.287 2.409 1.00 1.00 C ATOM 0 H THR A 38 7.068 -2.811 4.123 1.00 1.00 H new ATOM 0 HA THR A 38 7.546 -0.051 3.886 1.00 1.00 H new ATOM 0 HB THR A 38 9.024 -2.566 3.787 1.00 1.00 H new ATOM 0 HG1 THR A 38 10.524 -1.165 4.929 1.00 1.00 H new ATOM 0 HG21 THR A 38 11.034 -1.680 2.656 1.00 1.00 H new ATOM 0 HG22 THR A 38 9.657 -1.810 1.536 1.00 1.00 H new ATOM 0 HG23 THR A 38 10.126 -0.222 2.189 1.00 1.00 H new ATOM 591 N HIS A 39 7.323 -1.605 0.987 1.00 1.00 N ATOM 592 CA HIS A 39 7.120 -1.334 -0.458 1.00 1.00 C ATOM 593 C HIS A 39 5.923 -0.398 -0.596 1.00 1.00 C ATOM 594 O HIS A 39 5.968 0.591 -1.300 1.00 1.00 O ATOM 595 CB HIS A 39 6.838 -2.640 -1.201 1.00 1.00 C ATOM 596 CG HIS A 39 6.916 -2.392 -2.682 1.00 1.00 C ATOM 597 ND1 HIS A 39 5.968 -2.884 -3.562 1.00 1.00 N ATOM 598 CD2 HIS A 39 7.815 -1.693 -3.450 1.00 1.00 C ATOM 599 CE1 HIS A 39 6.313 -2.479 -4.798 1.00 1.00 C ATOM 600 NE2 HIS A 39 7.430 -1.748 -4.786 1.00 1.00 N ATOM 0 H HIS A 39 7.296 -2.589 1.254 1.00 1.00 H new ATOM 0 HA HIS A 39 8.014 -0.879 -0.885 1.00 1.00 H new ATOM 0 HB2 HIS A 39 7.561 -3.402 -0.909 1.00 1.00 H new ATOM 0 HB3 HIS A 39 5.851 -3.018 -0.935 1.00 1.00 H new ATOM 0 HD2 HIS A 39 8.687 -1.179 -3.074 1.00 1.00 H new ATOM 0 HE1 HIS A 39 5.754 -2.716 -5.691 1.00 1.00 H new ATOM 0 HE2 HIS A 39 7.900 -1.322 -5.584 1.00 1.00 H new ATOM 608 N PHE A 40 4.853 -0.696 0.093 1.00 1.00 N ATOM 609 CA PHE A 40 3.656 0.188 0.022 1.00 1.00 C ATOM 610 C PHE A 40 4.104 1.624 0.299 1.00 1.00 C ATOM 611 O PHE A 40 3.692 2.557 -0.359 1.00 1.00 O ATOM 612 CB PHE A 40 2.635 -0.249 1.077 1.00 1.00 C ATOM 613 CG PHE A 40 1.586 0.824 1.256 1.00 1.00 C ATOM 614 CD1 PHE A 40 1.888 1.988 1.974 1.00 1.00 C ATOM 615 CD2 PHE A 40 0.309 0.653 0.707 1.00 1.00 C ATOM 616 CE1 PHE A 40 0.914 2.980 2.143 1.00 1.00 C ATOM 617 CE2 PHE A 40 -0.665 1.646 0.877 1.00 1.00 C ATOM 618 CZ PHE A 40 -0.362 2.808 1.594 1.00 1.00 C ATOM 0 H PHE A 40 4.758 -1.511 0.699 1.00 1.00 H new ATOM 0 HA PHE A 40 3.194 0.123 -0.963 1.00 1.00 H new ATOM 0 HB2 PHE A 40 2.163 -1.183 0.773 1.00 1.00 H new ATOM 0 HB3 PHE A 40 3.138 -0.439 2.025 1.00 1.00 H new ATOM 0 HD1 PHE A 40 2.873 2.121 2.398 1.00 1.00 H new ATOM 0 HD2 PHE A 40 0.075 -0.244 0.153 1.00 1.00 H new ATOM 0 HE1 PHE A 40 1.147 3.877 2.697 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -1.650 1.514 0.454 1.00 1.00 H new ATOM 0 HZ PHE A 40 -1.113 3.573 1.724 1.00 1.00 H new ATOM 628 N GLU A 41 4.954 1.800 1.275 1.00 1.00 N ATOM 629 CA GLU A 41 5.453 3.126 1.623 1.00 1.00 C ATOM 630 C GLU A 41 6.084 3.806 0.403 1.00 1.00 C ATOM 631 O GLU A 41 5.702 4.893 0.020 1.00 1.00 O ATOM 632 CB GLU A 41 6.505 2.891 2.689 1.00 1.00 C ATOM 633 CG GLU A 41 6.038 3.509 3.989 1.00 1.00 C ATOM 634 CD GLU A 41 7.054 4.547 4.469 1.00 1.00 C ATOM 635 OE1 GLU A 41 6.955 5.684 4.037 1.00 1.00 O ATOM 636 OE2 GLU A 41 7.911 4.187 5.256 1.00 1.00 O ATOM 0 H GLU A 41 5.324 1.045 1.852 1.00 1.00 H new ATOM 0 HA GLU A 41 4.651 3.777 1.971 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.675 1.822 2.820 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.455 3.330 2.384 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.064 3.979 3.849 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.912 2.734 4.745 1.00 1.00 H new ATOM 643 N GLU A 42 7.057 3.182 -0.196 1.00 1.00 N ATOM 644 CA GLU A 42 7.726 3.796 -1.377 1.00 1.00 C ATOM 645 C GLU A 42 6.740 3.930 -2.541 1.00 1.00 C ATOM 646 O GLU A 42 7.042 4.535 -3.550 1.00 1.00 O ATOM 647 CB GLU A 42 8.893 2.909 -1.808 1.00 1.00 C ATOM 648 CG GLU A 42 10.092 3.783 -2.176 1.00 1.00 C ATOM 649 CD GLU A 42 11.003 3.019 -3.139 1.00 1.00 C ATOM 650 OE1 GLU A 42 10.631 1.926 -3.533 1.00 1.00 O ATOM 651 OE2 GLU A 42 12.055 3.541 -3.467 1.00 1.00 O ATOM 0 H GLU A 42 7.420 2.270 0.081 1.00 1.00 H new ATOM 0 HA GLU A 42 8.087 4.788 -1.104 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.161 2.226 -1.002 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.602 2.296 -2.661 1.00 1.00 H new ATOM 0 HG2 GLU A 42 9.752 4.710 -2.638 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.644 4.059 -1.278 1.00 1.00 H new ATOM 658 N MET A 43 5.574 3.359 -2.424 1.00 1.00 N ATOM 659 CA MET A 43 4.595 3.453 -3.544 1.00 1.00 C ATOM 660 C MET A 43 3.690 4.680 -3.377 1.00 1.00 C ATOM 661 O MET A 43 3.679 5.567 -4.208 1.00 1.00 O ATOM 662 CB MET A 43 3.736 2.188 -3.580 1.00 1.00 C ATOM 663 CG MET A 43 4.007 1.430 -4.882 1.00 1.00 C ATOM 664 SD MET A 43 5.483 0.401 -4.691 1.00 1.00 S ATOM 665 CE MET A 43 6.320 0.914 -6.212 1.00 1.00 C ATOM 0 H MET A 43 5.257 2.835 -1.608 1.00 1.00 H new ATOM 0 HA MET A 43 5.147 3.554 -4.478 1.00 1.00 H new ATOM 0 HB2 MET A 43 3.964 1.555 -2.723 1.00 1.00 H new ATOM 0 HB3 MET A 43 2.680 2.449 -3.511 1.00 1.00 H new ATOM 0 HG2 MET A 43 3.149 0.808 -5.138 1.00 1.00 H new ATOM 0 HG3 MET A 43 4.146 2.134 -5.702 1.00 1.00 H new ATOM 0 HE1 MET A 43 6.835 0.059 -6.650 1.00 1.00 H new ATOM 0 HE2 MET A 43 5.585 1.297 -6.920 1.00 1.00 H new ATOM 0 HE3 MET A 43 7.044 1.696 -5.983 1.00 1.00 H new ATOM 675 N THR A 44 2.917 4.734 -2.326 1.00 1.00 N ATOM 676 CA THR A 44 1.998 5.905 -2.137 1.00 1.00 C ATOM 677 C THR A 44 2.696 7.006 -1.340 1.00 1.00 C ATOM 678 O THR A 44 2.114 8.031 -1.045 1.00 1.00 O ATOM 679 CB THR A 44 0.706 5.478 -1.406 1.00 1.00 C ATOM 680 OG1 THR A 44 0.543 6.263 -0.231 1.00 1.00 O ATOM 681 CG2 THR A 44 0.765 3.996 -1.018 1.00 1.00 C ATOM 0 H THR A 44 2.878 4.026 -1.593 1.00 1.00 H new ATOM 0 HA THR A 44 1.734 6.287 -3.123 1.00 1.00 H new ATOM 0 HB THR A 44 -0.138 5.632 -2.079 1.00 1.00 H new ATOM 0 HG1 THR A 44 0.156 7.131 -0.469 1.00 1.00 H new ATOM 0 HG21 THR A 44 -0.155 3.717 -0.504 1.00 1.00 H new ATOM 0 HG22 THR A 44 0.877 3.389 -1.916 1.00 1.00 H new ATOM 0 HG23 THR A 44 1.615 3.827 -0.357 1.00 1.00 H new ATOM 689 N GLU A 45 3.926 6.810 -0.988 1.00 1.00 N ATOM 690 CA GLU A 45 4.652 7.854 -0.208 1.00 1.00 C ATOM 691 C GLU A 45 3.792 8.313 0.978 1.00 1.00 C ATOM 692 O GLU A 45 3.994 9.378 1.526 1.00 1.00 O ATOM 693 CB GLU A 45 4.947 9.049 -1.117 1.00 1.00 C ATOM 694 CG GLU A 45 5.394 8.549 -2.492 1.00 1.00 C ATOM 695 CD GLU A 45 5.302 9.692 -3.504 1.00 1.00 C ATOM 696 OE1 GLU A 45 4.339 10.438 -3.440 1.00 1.00 O ATOM 697 OE2 GLU A 45 6.197 9.801 -4.326 1.00 1.00 O ATOM 0 H GLU A 45 4.468 5.973 -1.203 1.00 1.00 H new ATOM 0 HA GLU A 45 5.586 7.438 0.169 1.00 1.00 H new ATOM 0 HB2 GLU A 45 4.058 9.671 -1.217 1.00 1.00 H new ATOM 0 HB3 GLU A 45 5.724 9.672 -0.675 1.00 1.00 H new ATOM 0 HG2 GLU A 45 6.417 8.176 -2.440 1.00 1.00 H new ATOM 0 HG3 GLU A 45 4.767 7.716 -2.810 1.00 1.00 H new ATOM 704 N HIS A 46 2.842 7.512 1.384 1.00 1.00 N ATOM 705 CA HIS A 46 1.978 7.890 2.541 1.00 1.00 C ATOM 706 C HIS A 46 2.882 8.303 3.710 1.00 1.00 C ATOM 707 O HIS A 46 3.968 7.779 3.852 1.00 1.00 O ATOM 708 CB HIS A 46 1.138 6.663 2.932 1.00 1.00 C ATOM 709 CG HIS A 46 -0.126 7.085 3.633 1.00 1.00 C ATOM 710 ND1 HIS A 46 -0.246 7.044 5.013 1.00 1.00 N ATOM 711 CD2 HIS A 46 -1.331 7.558 3.166 1.00 1.00 C ATOM 712 CE1 HIS A 46 -1.478 7.477 5.329 1.00 1.00 C ATOM 713 NE2 HIS A 46 -2.184 7.804 4.241 1.00 1.00 N ATOM 0 H HIS A 46 2.627 6.609 0.962 1.00 1.00 H new ATOM 0 HA HIS A 46 1.319 8.719 2.285 1.00 1.00 H new ATOM 0 HB2 HIS A 46 0.890 6.087 2.041 1.00 1.00 H new ATOM 0 HB3 HIS A 46 1.720 6.010 3.582 1.00 1.00 H new ATOM 0 HD2 HIS A 46 -1.578 7.715 2.126 1.00 1.00 H new ATOM 0 HE1 HIS A 46 -1.853 7.552 6.339 1.00 1.00 H new ATOM 0 HE2 HIS A 46 -3.140 8.157 4.205 1.00 1.00 H new ATOM 721 N PRO A 47 2.419 9.226 4.520 1.00 1.00 N ATOM 722 CA PRO A 47 3.192 9.703 5.679 1.00 1.00 C ATOM 723 C PRO A 47 3.236 8.616 6.751 1.00 1.00 C ATOM 724 O PRO A 47 4.277 8.331 7.311 1.00 1.00 O ATOM 725 CB PRO A 47 2.437 10.954 6.139 1.00 1.00 C ATOM 726 CG PRO A 47 1.004 10.827 5.576 1.00 1.00 C ATOM 727 CD PRO A 47 1.093 9.868 4.373 1.00 1.00 C ATOM 0 HA PRO A 47 4.233 9.934 5.453 1.00 1.00 H new ATOM 0 HB2 PRO A 47 2.423 11.022 7.227 1.00 1.00 H new ATOM 0 HB3 PRO A 47 2.921 11.858 5.770 1.00 1.00 H new ATOM 0 HG2 PRO A 47 0.322 10.439 6.333 1.00 1.00 H new ATOM 0 HG3 PRO A 47 0.619 11.800 5.270 1.00 1.00 H new ATOM 0 HD2 PRO A 47 0.290 9.132 4.390 1.00 1.00 H new ATOM 0 HD3 PRO A 47 1.013 10.405 3.428 1.00 1.00 H new ATOM 735 N SER A 48 2.134 7.970 7.012 1.00 1.00 N ATOM 736 CA SER A 48 2.150 6.873 8.005 1.00 1.00 C ATOM 737 C SER A 48 2.892 5.709 7.365 1.00 1.00 C ATOM 738 O SER A 48 3.560 4.932 8.021 1.00 1.00 O ATOM 739 CB SER A 48 0.717 6.449 8.317 1.00 1.00 C ATOM 740 OG SER A 48 0.434 6.708 9.685 1.00 1.00 O ATOM 0 H SER A 48 1.229 8.157 6.580 1.00 1.00 H new ATOM 0 HA SER A 48 2.632 7.187 8.931 1.00 1.00 H new ATOM 0 HB2 SER A 48 0.019 6.993 7.681 1.00 1.00 H new ATOM 0 HB3 SER A 48 0.585 5.389 8.102 1.00 1.00 H new ATOM 0 HG SER A 48 -0.525 6.589 9.849 1.00 1.00 H new ATOM 746 N GLY A 49 2.779 5.601 6.070 1.00 1.00 N ATOM 747 CA GLY A 49 3.463 4.515 5.333 1.00 1.00 C ATOM 748 C GLY A 49 2.973 3.170 5.839 1.00 1.00 C ATOM 749 O GLY A 49 1.846 2.770 5.613 1.00 1.00 O ATOM 0 H GLY A 49 2.231 6.233 5.486 1.00 1.00 H new ATOM 0 HA2 GLY A 49 3.267 4.607 4.265 1.00 1.00 H new ATOM 0 HA3 GLY A 49 4.542 4.594 5.467 1.00 1.00 H new ATOM 753 N SER A 50 3.818 2.469 6.527 1.00 1.00 N ATOM 754 CA SER A 50 3.428 1.139 7.060 1.00 1.00 C ATOM 755 C SER A 50 2.516 1.304 8.277 1.00 1.00 C ATOM 756 O SER A 50 2.202 0.345 8.950 1.00 1.00 O ATOM 757 CB SER A 50 4.682 0.362 7.463 1.00 1.00 C ATOM 758 OG SER A 50 5.832 1.055 6.998 1.00 1.00 O ATOM 0 H SER A 50 4.771 2.760 6.746 1.00 1.00 H new ATOM 0 HA SER A 50 2.890 0.591 6.286 1.00 1.00 H new ATOM 0 HB2 SER A 50 4.723 0.251 8.547 1.00 1.00 H new ATOM 0 HB3 SER A 50 4.653 -0.643 7.041 1.00 1.00 H new ATOM 0 HG SER A 50 6.638 0.561 7.256 1.00 1.00 H new ATOM 764 N ASP A 51 2.070 2.500 8.560 1.00 1.00 N ATOM 765 CA ASP A 51 1.175 2.704 9.702 1.00 1.00 C ATOM 766 C ASP A 51 -0.245 2.433 9.227 1.00 1.00 C ATOM 767 O ASP A 51 -1.062 1.904 9.943 1.00 1.00 O ATOM 768 CB ASP A 51 1.279 4.159 10.130 1.00 1.00 C ATOM 769 CG ASP A 51 1.692 4.260 11.602 1.00 1.00 C ATOM 770 OD1 ASP A 51 1.968 3.227 12.191 1.00 1.00 O ATOM 771 OD2 ASP A 51 1.724 5.367 12.113 1.00 1.00 O ATOM 0 H ASP A 51 2.299 3.344 8.034 1.00 1.00 H new ATOM 0 HA ASP A 51 1.435 2.048 10.533 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.008 4.676 9.506 1.00 1.00 H new ATOM 0 HB3 ASP A 51 0.321 4.657 9.980 1.00 1.00 H new ATOM 776 N LEU A 52 -0.538 2.783 8.006 1.00 1.00 N ATOM 777 CA LEU A 52 -1.897 2.553 7.473 1.00 1.00 C ATOM 778 C LEU A 52 -2.335 1.133 7.828 1.00 1.00 C ATOM 779 O LEU A 52 -3.506 0.845 7.966 1.00 1.00 O ATOM 780 CB LEU A 52 -1.853 2.766 5.967 1.00 1.00 C ATOM 781 CG LEU A 52 -2.794 3.908 5.528 1.00 1.00 C ATOM 782 CD1 LEU A 52 -2.916 4.982 6.616 1.00 1.00 C ATOM 783 CD2 LEU A 52 -2.218 4.564 4.275 1.00 1.00 C ATOM 0 H LEU A 52 0.114 3.221 7.355 1.00 1.00 H new ATOM 0 HA LEU A 52 -2.619 3.245 7.906 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -0.833 2.996 5.661 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -2.137 1.844 5.460 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.780 3.484 5.340 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.586 5.771 6.275 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -3.317 4.535 7.526 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -1.933 5.404 6.822 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -2.874 5.373 3.954 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.229 4.965 4.496 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -2.140 3.823 3.479 1.00 1.00 H new ATOM 795 N ILE A 53 -1.391 0.257 8.016 1.00 1.00 N ATOM 796 CA ILE A 53 -1.725 -1.137 8.406 1.00 1.00 C ATOM 797 C ILE A 53 -1.305 -1.323 9.866 1.00 1.00 C ATOM 798 O ILE A 53 -1.983 -1.954 10.653 1.00 1.00 O ATOM 799 CB ILE A 53 -0.944 -2.114 7.523 1.00 1.00 C ATOM 800 CG1 ILE A 53 -1.057 -1.682 6.060 1.00 1.00 C ATOM 801 CG2 ILE A 53 -1.510 -3.527 7.680 1.00 1.00 C ATOM 802 CD1 ILE A 53 0.339 -1.642 5.434 1.00 1.00 C ATOM 0 H ILE A 53 -0.394 0.449 7.915 1.00 1.00 H new ATOM 0 HA ILE A 53 -2.792 -1.326 8.285 1.00 1.00 H new ATOM 0 HB ILE A 53 0.103 -2.111 7.827 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -1.694 -2.377 5.512 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -1.526 -0.700 5.994 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -0.949 -4.216 7.049 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -1.426 -3.839 8.721 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -2.559 -3.534 7.382 1.00 1.00 H new ATOM 0 HD11 ILE A 53 0.261 -1.334 4.391 1.00 1.00 H new ATOM 0 HD12 ILE A 53 0.961 -0.930 5.977 1.00 1.00 H new ATOM 0 HD13 ILE A 53 0.790 -2.633 5.487 1.00 1.00 H new ATOM 814 N TYR A 54 -0.184 -0.755 10.223 1.00 1.00 N ATOM 815 CA TYR A 54 0.318 -0.855 11.623 1.00 1.00 C ATOM 816 C TYR A 54 -0.130 0.373 12.416 1.00 1.00 C ATOM 817 O TYR A 54 0.560 0.822 13.311 1.00 1.00 O ATOM 818 CB TYR A 54 1.846 -0.904 11.616 1.00 1.00 C ATOM 819 CG TYR A 54 2.320 -2.229 11.069 1.00 1.00 C ATOM 820 CD1 TYR A 54 1.702 -3.418 11.470 1.00 1.00 C ATOM 821 CD2 TYR A 54 3.386 -2.265 10.161 1.00 1.00 C ATOM 822 CE1 TYR A 54 2.148 -4.645 10.964 1.00 1.00 C ATOM 823 CE2 TYR A 54 3.832 -3.491 9.654 1.00 1.00 C ATOM 824 CZ TYR A 54 3.213 -4.680 10.055 1.00 1.00 C ATOM 825 OH TYR A 54 3.654 -5.890 9.555 1.00 1.00 O ATOM 0 H TYR A 54 0.413 -0.218 9.594 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.081 -1.760 12.082 1.00 1.00 H new ATOM 0 HB2 TYR A 54 2.241 -0.089 11.009 1.00 1.00 H new ATOM 0 HB3 TYR A 54 2.227 -0.762 12.627 1.00 1.00 H new ATOM 0 HD1 TYR A 54 0.880 -3.390 12.170 1.00 1.00 H new ATOM 0 HD2 TYR A 54 3.864 -1.347 9.852 1.00 1.00 H new ATOM 0 HE1 TYR A 54 1.671 -5.563 11.274 1.00 1.00 H new ATOM 0 HE2 TYR A 54 4.654 -3.519 8.954 1.00 1.00 H new ATOM 0 HH TYR A 54 4.399 -5.737 8.936 1.00 1.00 H new ATOM 835 N TYR A 55 -1.256 0.937 12.094 1.00 1.00 N ATOM 836 CA TYR A 55 -1.698 2.145 12.835 1.00 1.00 C ATOM 837 C TYR A 55 -3.230 2.234 12.861 1.00 1.00 C ATOM 838 O TYR A 55 -3.797 3.225 12.447 1.00 1.00 O ATOM 839 CB TYR A 55 -1.117 3.394 12.153 1.00 1.00 C ATOM 840 CG TYR A 55 -0.687 4.388 13.207 1.00 1.00 C ATOM 841 CD1 TYR A 55 0.120 3.974 14.273 1.00 1.00 C ATOM 842 CD2 TYR A 55 -1.100 5.723 13.119 1.00 1.00 C ATOM 843 CE1 TYR A 55 0.515 4.896 15.250 1.00 1.00 C ATOM 844 CE2 TYR A 55 -0.705 6.644 14.097 1.00 1.00 C ATOM 845 CZ TYR A 55 0.103 6.230 15.163 1.00 1.00 C ATOM 846 OH TYR A 55 0.490 7.139 16.126 1.00 1.00 O ATOM 0 H TYR A 55 -1.884 0.618 11.357 1.00 1.00 H new ATOM 0 HA TYR A 55 -1.340 2.082 13.863 1.00 1.00 H new ATOM 0 HB2 TYR A 55 -0.267 3.119 11.529 1.00 1.00 H new ATOM 0 HB3 TYR A 55 -1.862 3.843 11.496 1.00 1.00 H new ATOM 0 HD1 TYR A 55 0.438 2.944 14.342 1.00 1.00 H new ATOM 0 HD2 TYR A 55 -1.723 6.042 12.297 1.00 1.00 H new ATOM 0 HE1 TYR A 55 1.139 4.577 16.072 1.00 1.00 H new ATOM 0 HE2 TYR A 55 -1.024 7.674 14.029 1.00 1.00 H new ATOM 0 HH TYR A 55 0.117 8.020 15.913 1.00 1.00 H new ATOM 856 N PRO A 56 -3.852 1.196 13.361 1.00 1.00 N ATOM 857 CA PRO A 56 -5.318 1.124 13.477 1.00 1.00 C ATOM 858 C PRO A 56 -5.772 1.799 14.775 1.00 1.00 C ATOM 859 O PRO A 56 -5.466 1.334 15.855 1.00 1.00 O ATOM 860 CB PRO A 56 -5.589 -0.379 13.546 1.00 1.00 C ATOM 861 CG PRO A 56 -4.282 -1.038 14.057 1.00 1.00 C ATOM 862 CD PRO A 56 -3.154 -0.007 13.850 1.00 1.00 C ATOM 0 HA PRO A 56 -5.842 1.620 12.660 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -6.420 -0.593 14.218 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -5.863 -0.769 12.566 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -4.371 -1.308 15.109 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -4.072 -1.956 13.509 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -2.620 0.192 14.779 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -2.417 -0.361 13.129 1.00 1.00 H new ATOM 938 N ASP A 62 -7.883 -2.134 10.582 1.00 1.00 N ATOM 939 CA ASP A 62 -6.565 -2.565 10.042 1.00 1.00 C ATOM 940 C ASP A 62 -6.780 -3.530 8.878 1.00 1.00 C ATOM 941 O ASP A 62 -6.094 -4.524 8.746 1.00 1.00 O ATOM 942 CB ASP A 62 -5.741 -3.255 11.131 1.00 1.00 C ATOM 943 CG ASP A 62 -6.625 -3.619 12.327 1.00 1.00 C ATOM 944 OD1 ASP A 62 -7.466 -4.490 12.173 1.00 1.00 O ATOM 945 OD2 ASP A 62 -6.446 -3.021 13.375 1.00 1.00 O ATOM 0 HA ASP A 62 -6.024 -1.685 9.695 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -5.277 -4.155 10.728 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -4.934 -2.598 11.455 1.00 1.00 H new ATOM 950 N SER A 63 -7.722 -3.239 8.024 1.00 1.00 N ATOM 951 CA SER A 63 -7.975 -4.130 6.860 1.00 1.00 C ATOM 952 C SER A 63 -7.089 -3.683 5.697 1.00 1.00 C ATOM 953 O SER A 63 -6.596 -2.572 5.690 1.00 1.00 O ATOM 954 CB SER A 63 -9.445 -4.027 6.451 1.00 1.00 C ATOM 955 OG SER A 63 -10.248 -4.694 7.415 1.00 1.00 O ATOM 0 H SER A 63 -8.328 -2.421 8.083 1.00 1.00 H new ATOM 0 HA SER A 63 -7.747 -5.163 7.125 1.00 1.00 H new ATOM 0 HB2 SER A 63 -9.741 -2.981 6.375 1.00 1.00 H new ATOM 0 HB3 SER A 63 -9.593 -4.472 5.467 1.00 1.00 H new ATOM 0 HG SER A 63 -11.191 -4.628 7.157 1.00 1.00 H new ATOM 961 N PRO A 64 -6.914 -4.558 4.744 1.00 1.00 N ATOM 962 CA PRO A 64 -6.091 -4.272 3.559 1.00 1.00 C ATOM 963 C PRO A 64 -6.859 -3.362 2.599 1.00 1.00 C ATOM 964 O PRO A 64 -6.415 -2.284 2.266 1.00 1.00 O ATOM 965 CB PRO A 64 -5.849 -5.654 2.943 1.00 1.00 C ATOM 966 CG PRO A 64 -6.982 -6.568 3.468 1.00 1.00 C ATOM 967 CD PRO A 64 -7.519 -5.906 4.751 1.00 1.00 C ATOM 0 HA PRO A 64 -5.159 -3.755 3.790 1.00 1.00 H new ATOM 0 HB2 PRO A 64 -5.864 -5.602 1.854 1.00 1.00 H new ATOM 0 HB3 PRO A 64 -4.872 -6.042 3.230 1.00 1.00 H new ATOM 0 HG2 PRO A 64 -7.773 -6.672 2.725 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -6.607 -7.570 3.676 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -8.608 -5.854 4.747 1.00 1.00 H new ATOM 0 HD3 PRO A 64 -7.230 -6.467 5.640 1.00 1.00 H new ATOM 975 N SER A 65 -8.010 -3.788 2.161 1.00 1.00 N ATOM 976 CA SER A 65 -8.810 -2.950 1.226 1.00 1.00 C ATOM 977 C SER A 65 -9.098 -1.585 1.860 1.00 1.00 C ATOM 978 O SER A 65 -9.033 -0.567 1.204 1.00 1.00 O ATOM 979 CB SER A 65 -10.130 -3.657 0.917 1.00 1.00 C ATOM 980 OG SER A 65 -11.088 -2.697 0.493 1.00 1.00 O ATOM 0 H SER A 65 -8.432 -4.682 2.411 1.00 1.00 H new ATOM 0 HA SER A 65 -8.246 -2.802 0.305 1.00 1.00 H new ATOM 0 HB2 SER A 65 -9.981 -4.407 0.140 1.00 1.00 H new ATOM 0 HB3 SER A 65 -10.491 -4.182 1.802 1.00 1.00 H new ATOM 0 HG SER A 65 -11.935 -3.147 0.292 1.00 1.00 H new ATOM 986 N GLY A 66 -9.441 -1.553 3.121 1.00 1.00 N ATOM 987 CA GLY A 66 -9.757 -0.266 3.771 1.00 1.00 C ATOM 988 C GLY A 66 -8.509 0.604 3.892 1.00 1.00 C ATOM 989 O GLY A 66 -8.583 1.802 4.080 1.00 1.00 O ATOM 0 H GLY A 66 -9.514 -2.372 3.724 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -10.517 0.260 3.194 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -10.176 -0.447 4.761 1.00 1.00 H new ATOM 993 N ILE A 67 -7.373 0.007 3.776 1.00 1.00 N ATOM 994 CA ILE A 67 -6.102 0.783 3.871 1.00 1.00 C ATOM 995 C ILE A 67 -5.733 1.275 2.473 1.00 1.00 C ATOM 996 O ILE A 67 -5.122 2.311 2.297 1.00 1.00 O ATOM 997 CB ILE A 67 -4.994 -0.112 4.433 1.00 1.00 C ATOM 998 CG1 ILE A 67 -5.230 -0.313 5.936 1.00 1.00 C ATOM 999 CG2 ILE A 67 -3.634 0.555 4.216 1.00 1.00 C ATOM 1000 CD1 ILE A 67 -4.387 -1.486 6.442 1.00 1.00 C ATOM 0 H ILE A 67 -7.257 -0.994 3.618 1.00 1.00 H new ATOM 0 HA ILE A 67 -6.226 1.636 4.538 1.00 1.00 H new ATOM 0 HB ILE A 67 -5.006 -1.075 3.923 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -4.969 0.595 6.479 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -6.286 -0.504 6.125 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -2.847 -0.084 4.617 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -3.470 0.707 3.149 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -3.615 1.518 4.727 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -4.559 -1.624 7.510 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -4.670 -2.394 5.909 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -3.331 -1.277 6.268 1.00 1.00 H new ATOM 1012 N VAL A 68 -6.138 0.540 1.479 1.00 1.00 N ATOM 1013 CA VAL A 68 -5.871 0.935 0.067 1.00 1.00 C ATOM 1014 C VAL A 68 -6.913 1.973 -0.309 1.00 1.00 C ATOM 1015 O VAL A 68 -6.718 2.796 -1.178 1.00 1.00 O ATOM 1016 CB VAL A 68 -6.019 -0.301 -0.825 1.00 1.00 C ATOM 1017 CG1 VAL A 68 -5.157 -0.166 -2.082 1.00 1.00 C ATOM 1018 CG2 VAL A 68 -5.584 -1.537 -0.034 1.00 1.00 C ATOM 0 H VAL A 68 -6.652 -0.334 1.585 1.00 1.00 H new ATOM 0 HA VAL A 68 -4.867 1.340 -0.055 1.00 1.00 H new ATOM 0 HB VAL A 68 -7.061 -0.398 -1.131 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -5.276 -1.054 -2.702 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -5.469 0.714 -2.644 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.110 -0.061 -1.796 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -5.685 -2.424 -0.660 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -4.544 -1.426 0.272 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -6.213 -1.643 0.850 1.00 1.00 H new ATOM 1028 N ASN A 69 -8.014 1.949 0.380 1.00 1.00 N ATOM 1029 CA ASN A 69 -9.081 2.947 0.121 1.00 1.00 C ATOM 1030 C ASN A 69 -8.627 4.262 0.750 1.00 1.00 C ATOM 1031 O ASN A 69 -8.866 5.338 0.234 1.00 1.00 O ATOM 1032 CB ASN A 69 -10.388 2.483 0.772 1.00 1.00 C ATOM 1033 CG ASN A 69 -11.569 3.207 0.122 1.00 1.00 C ATOM 1034 OD1 ASN A 69 -12.123 2.737 -0.852 1.00 1.00 O ATOM 1035 ND2 ASN A 69 -11.981 4.339 0.622 1.00 1.00 N ATOM 0 H ASN A 69 -8.222 1.276 1.117 1.00 1.00 H new ATOM 0 HA ASN A 69 -9.254 3.068 -0.948 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -10.501 1.405 0.657 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -10.366 2.689 1.842 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -12.767 4.829 0.195 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -11.517 4.734 1.440 1.00 1.00 H new ATOM 1042 N THR A 70 -7.947 4.170 1.862 1.00 1.00 N ATOM 1043 CA THR A 70 -7.444 5.391 2.539 1.00 1.00 C ATOM 1044 C THR A 70 -6.388 6.042 1.640 1.00 1.00 C ATOM 1045 O THR A 70 -6.462 7.216 1.340 1.00 1.00 O ATOM 1046 CB THR A 70 -6.858 4.997 3.913 1.00 1.00 C ATOM 1047 OG1 THR A 70 -7.668 5.554 4.940 1.00 1.00 O ATOM 1048 CG2 THR A 70 -5.418 5.504 4.077 1.00 1.00 C ATOM 0 H THR A 70 -7.719 3.293 2.330 1.00 1.00 H new ATOM 0 HA THR A 70 -8.246 6.109 2.708 1.00 1.00 H new ATOM 0 HB THR A 70 -6.845 3.909 3.980 1.00 1.00 H new ATOM 0 HG1 THR A 70 -7.303 5.306 5.815 1.00 1.00 H new ATOM 0 HG21 THR A 70 -5.037 5.209 5.055 1.00 1.00 H new ATOM 0 HG22 THR A 70 -4.789 5.073 3.298 1.00 1.00 H new ATOM 0 HG23 THR A 70 -5.403 6.591 3.995 1.00 1.00 H new ATOM 1056 N VAL A 71 -5.409 5.290 1.198 1.00 1.00 N ATOM 1057 CA VAL A 71 -4.371 5.883 0.309 1.00 1.00 C ATOM 1058 C VAL A 71 -5.049 6.427 -0.939 1.00 1.00 C ATOM 1059 O VAL A 71 -4.806 7.536 -1.360 1.00 1.00 O ATOM 1060 CB VAL A 71 -3.332 4.833 -0.079 1.00 1.00 C ATOM 1061 CG1 VAL A 71 -3.857 3.963 -1.211 1.00 1.00 C ATOM 1062 CG2 VAL A 71 -2.059 5.549 -0.541 1.00 1.00 C ATOM 0 H VAL A 71 -5.287 4.301 1.414 1.00 1.00 H new ATOM 0 HA VAL A 71 -3.860 6.688 0.837 1.00 1.00 H new ATOM 0 HB VAL A 71 -3.121 4.199 0.782 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -3.106 3.219 -1.477 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -4.769 3.459 -0.890 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -4.073 4.586 -2.079 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -1.308 4.811 -0.821 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -2.287 6.179 -1.401 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -1.675 6.168 0.270 1.00 1.00 H new ATOM 1072 N LYS A 72 -5.895 5.641 -1.531 1.00 1.00 N ATOM 1073 CA LYS A 72 -6.606 6.097 -2.760 1.00 1.00 C ATOM 1074 C LYS A 72 -7.037 7.556 -2.577 1.00 1.00 C ATOM 1075 O LYS A 72 -6.981 8.350 -3.496 1.00 1.00 O ATOM 1076 CB LYS A 72 -7.843 5.224 -2.990 1.00 1.00 C ATOM 1077 CG LYS A 72 -8.149 5.154 -4.488 1.00 1.00 C ATOM 1078 CD LYS A 72 -9.663 5.193 -4.702 1.00 1.00 C ATOM 1079 CE LYS A 72 -10.164 3.791 -5.057 1.00 1.00 C ATOM 1080 NZ LYS A 72 -10.791 3.168 -3.857 1.00 1.00 N ATOM 0 H LYS A 72 -6.129 4.698 -1.219 1.00 1.00 H new ATOM 0 HA LYS A 72 -5.942 6.014 -3.620 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -7.672 4.222 -2.596 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -8.697 5.636 -2.453 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.676 5.989 -5.006 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -7.735 4.240 -4.912 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -10.159 5.551 -3.800 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -9.910 5.892 -5.501 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -10.887 3.847 -5.871 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -9.336 3.176 -5.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -11.131 2.215 -4.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -10.088 3.101 -3.093 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -11.591 3.752 -3.541 1.00 1.00 H new ATOM 1094 N GLN A 73 -7.461 7.914 -1.395 1.00 1.00 N ATOM 1095 CA GLN A 73 -7.889 9.319 -1.147 1.00 1.00 C ATOM 1096 C GLN A 73 -6.668 10.186 -0.817 1.00 1.00 C ATOM 1097 O GLN A 73 -6.623 11.355 -1.136 1.00 1.00 O ATOM 1098 CB GLN A 73 -8.863 9.350 0.032 1.00 1.00 C ATOM 1099 CG GLN A 73 -10.296 9.198 -0.481 1.00 1.00 C ATOM 1100 CD GLN A 73 -11.226 10.106 0.324 1.00 1.00 C ATOM 1101 OE1 GLN A 73 -11.692 9.732 1.383 1.00 1.00 O ATOM 1102 NE2 GLN A 73 -11.519 11.291 -0.135 1.00 1.00 N ATOM 0 H GLN A 73 -7.529 7.292 -0.589 1.00 1.00 H new ATOM 0 HA GLN A 73 -8.376 9.709 -2.041 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -8.629 8.547 0.731 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -8.759 10.288 0.578 1.00 1.00 H new ATOM 0 HG2 GLN A 73 -10.344 9.457 -1.539 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -10.617 8.160 -0.392 1.00 1.00 H new ATOM 0 HE21 GLN A 73 -11.128 11.605 -1.023 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -12.139 11.904 0.394 1.00 1.00 H new ATOM 1111 N TRP A 74 -5.683 9.621 -0.170 1.00 1.00 N ATOM 1112 CA TRP A 74 -4.467 10.406 0.193 1.00 1.00 C ATOM 1113 C TRP A 74 -3.816 10.979 -1.055 1.00 1.00 C ATOM 1114 O TRP A 74 -3.352 12.092 -1.066 1.00 1.00 O ATOM 1115 CB TRP A 74 -3.463 9.482 0.869 1.00 1.00 C ATOM 1116 CG TRP A 74 -2.355 10.302 1.445 1.00 1.00 C ATOM 1117 CD1 TRP A 74 -2.429 11.024 2.587 1.00 1.00 C ATOM 1118 CD2 TRP A 74 -1.013 10.504 0.918 1.00 1.00 C ATOM 1119 NE1 TRP A 74 -1.217 11.659 2.792 1.00 1.00 N ATOM 1120 CE2 TRP A 74 -0.311 11.370 1.789 1.00 1.00 C ATOM 1121 CE3 TRP A 74 -0.344 10.025 -0.222 1.00 1.00 C ATOM 1122 CZ2 TRP A 74 1.010 11.747 1.536 1.00 1.00 C ATOM 1123 CZ3 TRP A 74 0.983 10.402 -0.480 1.00 1.00 C ATOM 1124 CH2 TRP A 74 1.658 11.261 0.396 1.00 1.00 C ATOM 0 H TRP A 74 -5.669 8.644 0.124 1.00 1.00 H new ATOM 0 HA TRP A 74 -4.760 11.217 0.859 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -3.952 8.906 1.654 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -3.066 8.767 0.149 1.00 1.00 H new ATOM 0 HD1 TRP A 74 -3.292 11.093 3.232 1.00 1.00 H new ATOM 0 HE1 TRP A 74 -1.017 12.266 3.587 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -0.855 9.362 -0.904 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 1.527 12.409 2.215 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 1.486 10.028 -1.359 1.00 1.00 H new ATOM 0 HH2 TRP A 74 2.679 11.548 0.191 1.00 1.00 H new ATOM 1135 N ARG A 75 -3.744 10.208 -2.089 1.00 1.00 N ATOM 1136 CA ARG A 75 -3.106 10.670 -3.332 1.00 1.00 C ATOM 1137 C ARG A 75 -4.055 11.593 -4.096 1.00 1.00 C ATOM 1138 O ARG A 75 -3.659 12.301 -4.994 1.00 1.00 O ATOM 1139 CB ARG A 75 -2.802 9.435 -4.171 1.00 1.00 C ATOM 1140 CG ARG A 75 -2.177 8.335 -3.301 1.00 1.00 C ATOM 1141 CD ARG A 75 -0.654 8.443 -3.356 1.00 1.00 C ATOM 1142 NE ARG A 75 -0.195 8.305 -4.767 1.00 1.00 N ATOM 1143 CZ ARG A 75 1.073 8.423 -5.059 1.00 1.00 C ATOM 1144 NH1 ARG A 75 1.944 8.683 -4.120 1.00 1.00 N ATOM 1145 NH2 ARG A 75 1.473 8.279 -6.292 1.00 1.00 N ATOM 0 H ARG A 75 -4.109 9.256 -2.124 1.00 1.00 H new ATOM 0 HA ARG A 75 -2.194 11.225 -3.112 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -3.719 9.066 -4.631 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -2.121 9.697 -4.981 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -2.522 8.431 -2.271 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -2.495 7.354 -3.653 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -0.332 9.402 -2.950 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -0.202 7.667 -2.738 1.00 1.00 H new ATOM 0 HE ARG A 75 -0.872 8.118 -5.506 1.00 1.00 H new ATOM 0 HH11 ARG A 75 1.635 8.795 -3.154 1.00 1.00 H new ATOM 0 HH12 ARG A 75 2.933 8.774 -4.353 1.00 1.00 H new ATOM 0 HH21 ARG A 75 0.796 8.075 -7.027 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.463 8.371 -6.521 1.00 1.00 H new ATOM 1159 N ALA A 76 -5.305 11.616 -3.758 1.00 1.00 N ATOM 1160 CA ALA A 76 -6.210 12.533 -4.489 1.00 1.00 C ATOM 1161 C ALA A 76 -6.231 13.861 -3.738 1.00 1.00 C ATOM 1162 O ALA A 76 -6.496 14.911 -4.291 1.00 1.00 O ATOM 1163 CB ALA A 76 -7.619 11.941 -4.568 1.00 1.00 C ATOM 0 H ALA A 76 -5.734 11.053 -3.024 1.00 1.00 H new ATOM 0 HA ALA A 76 -5.857 12.681 -5.509 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -8.272 12.627 -5.108 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -7.583 10.986 -5.092 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -8.007 11.788 -3.561 1.00 1.00 H new ATOM 1169 N ALA A 77 -5.915 13.809 -2.478 1.00 1.00 N ATOM 1170 CA ALA A 77 -5.862 15.036 -1.648 1.00 1.00 C ATOM 1171 C ALA A 77 -4.502 15.674 -1.861 1.00 1.00 C ATOM 1172 O ALA A 77 -4.371 16.847 -2.150 1.00 1.00 O ATOM 1173 CB ALA A 77 -5.981 14.638 -0.185 1.00 1.00 C ATOM 0 H ALA A 77 -5.687 12.949 -1.980 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.665 15.723 -1.917 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -5.944 15.531 0.439 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -6.928 14.122 -0.024 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -5.157 13.975 0.080 1.00 1.00 H new ATOM 1179 N ASN A 78 -3.491 14.870 -1.732 1.00 1.00 N ATOM 1180 CA ASN A 78 -2.118 15.324 -1.924 1.00 1.00 C ATOM 1181 C ASN A 78 -1.840 15.389 -3.419 1.00 1.00 C ATOM 1182 O ASN A 78 -0.751 15.708 -3.850 1.00 1.00 O ATOM 1183 CB ASN A 78 -1.208 14.306 -1.261 1.00 1.00 C ATOM 1184 CG ASN A 78 -1.197 14.544 0.241 1.00 1.00 C ATOM 1185 OD1 ASN A 78 -0.229 15.033 0.791 1.00 1.00 O ATOM 1186 ND2 ASN A 78 -2.249 14.212 0.932 1.00 1.00 N ATOM 0 H ASN A 78 -3.577 13.882 -1.492 1.00 1.00 H new ATOM 0 HA ASN A 78 -1.951 16.310 -1.490 1.00 1.00 H new ATOM 0 HB2 ASN A 78 -1.555 13.296 -1.478 1.00 1.00 H new ATOM 0 HB3 ASN A 78 -0.198 14.389 -1.661 1.00 1.00 H new ATOM 0 HD21 ASN A 78 -2.265 14.362 1.941 1.00 1.00 H new ATOM 0 HD22 ASN A 78 -3.058 13.802 0.465 1.00 1.00 H new ATOM 1193 N GLY A 79 -2.824 15.074 -4.218 1.00 1.00 N ATOM 1194 CA GLY A 79 -2.610 15.108 -5.688 1.00 1.00 C ATOM 1195 C GLY A 79 -1.296 14.397 -5.997 1.00 1.00 C ATOM 1196 O GLY A 79 -0.438 14.916 -6.686 1.00 1.00 O ATOM 0 H GLY A 79 -3.758 14.797 -3.917 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -3.437 14.619 -6.204 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -2.577 16.138 -6.043 1.00 1.00 H new ATOM 1200 N LYS A 80 -1.131 13.212 -5.481 1.00 1.00 N ATOM 1201 CA LYS A 80 0.130 12.459 -5.730 1.00 1.00 C ATOM 1202 C LYS A 80 0.085 11.855 -7.134 1.00 1.00 C ATOM 1203 O LYS A 80 -0.692 12.268 -7.972 1.00 1.00 O ATOM 1204 CB LYS A 80 0.283 11.341 -4.694 1.00 1.00 C ATOM 1205 CG LYS A 80 0.481 11.944 -3.304 1.00 1.00 C ATOM 1206 CD LYS A 80 1.462 13.119 -3.370 1.00 1.00 C ATOM 1207 CE LYS A 80 1.997 13.417 -1.970 1.00 1.00 C ATOM 1208 NZ LYS A 80 2.507 14.816 -1.921 1.00 1.00 N ATOM 0 H LYS A 80 -1.815 12.731 -4.897 1.00 1.00 H new ATOM 0 HA LYS A 80 0.980 13.137 -5.648 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -0.601 10.703 -4.701 1.00 1.00 H new ATOM 0 HB3 LYS A 80 1.134 10.709 -4.951 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -0.476 12.282 -2.907 1.00 1.00 H new ATOM 0 HG3 LYS A 80 0.859 11.184 -2.621 1.00 1.00 H new ATOM 0 HD2 LYS A 80 2.286 12.881 -4.042 1.00 1.00 H new ATOM 0 HD3 LYS A 80 0.964 14.000 -3.775 1.00 1.00 H new ATOM 0 HE2 LYS A 80 1.208 13.280 -1.231 1.00 1.00 H new ATOM 0 HE3 LYS A 80 2.795 12.719 -1.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 2.871 15.020 -0.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 3.272 14.931 -2.616 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 1.734 15.475 -2.144 1.00 1.00 H new ATOM 1222 N SER A 81 0.915 10.887 -7.404 1.00 1.00 N ATOM 1223 CA SER A 81 0.920 10.272 -8.762 1.00 1.00 C ATOM 1224 C SER A 81 -0.329 9.410 -8.945 1.00 1.00 C ATOM 1225 O SER A 81 -0.691 9.053 -10.048 1.00 1.00 O ATOM 1226 CB SER A 81 2.167 9.402 -8.923 1.00 1.00 C ATOM 1227 OG SER A 81 2.953 9.905 -9.996 1.00 1.00 O ATOM 0 H SER A 81 1.589 10.495 -6.746 1.00 1.00 H new ATOM 0 HA SER A 81 0.925 11.061 -9.514 1.00 1.00 H new ATOM 0 HB2 SER A 81 2.747 9.403 -8.000 1.00 1.00 H new ATOM 0 HB3 SER A 81 1.881 8.369 -9.119 1.00 1.00 H new ATOM 0 HG SER A 81 3.755 9.351 -10.102 1.00 1.00 H new ATOM 1233 N GLY A 82 -0.991 9.065 -7.874 1.00 1.00 N ATOM 1234 CA GLY A 82 -2.208 8.222 -8.001 1.00 1.00 C ATOM 1235 C GLY A 82 -1.834 6.896 -8.659 1.00 1.00 C ATOM 1236 O GLY A 82 -0.696 6.673 -9.022 1.00 1.00 O ATOM 0 H GLY A 82 -0.741 9.330 -6.921 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -2.645 8.044 -7.019 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -2.961 8.737 -8.597 1.00 1.00 H new ATOM 1240 N PHE A 83 -2.778 6.013 -8.813 1.00 1.00 N ATOM 1241 CA PHE A 83 -2.500 4.718 -9.429 1.00 1.00 C ATOM 1242 C PHE A 83 -2.454 4.875 -10.946 1.00 1.00 C ATOM 1243 O PHE A 83 -2.677 5.940 -11.484 1.00 1.00 O ATOM 1244 CB PHE A 83 -3.643 3.796 -9.049 1.00 1.00 C ATOM 1245 CG PHE A 83 -3.693 3.637 -7.551 1.00 1.00 C ATOM 1246 CD1 PHE A 83 -2.774 2.804 -6.906 1.00 1.00 C ATOM 1247 CD2 PHE A 83 -4.659 4.323 -6.806 1.00 1.00 C ATOM 1248 CE1 PHE A 83 -2.820 2.656 -5.517 1.00 1.00 C ATOM 1249 CE2 PHE A 83 -4.707 4.174 -5.416 1.00 1.00 C ATOM 1250 CZ PHE A 83 -3.787 3.341 -4.771 1.00 1.00 C ATOM 0 H PHE A 83 -3.747 6.151 -8.527 1.00 1.00 H new ATOM 0 HA PHE A 83 -1.544 4.319 -9.092 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -4.587 4.202 -9.413 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -3.511 2.823 -9.523 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -2.029 2.275 -7.481 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -5.368 4.968 -7.305 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -2.109 2.013 -5.019 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -5.454 4.702 -4.841 1.00 1.00 H new ATOM 0 HZ PHE A 83 -3.822 3.226 -3.698 1.00 1.00 H new ATOM 1260 N LYS A 84 -2.174 3.813 -11.633 1.00 1.00 N ATOM 1261 CA LYS A 84 -2.119 3.875 -13.120 1.00 1.00 C ATOM 1262 C LYS A 84 -3.542 4.000 -13.670 1.00 1.00 C ATOM 1263 O LYS A 84 -4.370 4.696 -13.117 1.00 1.00 O ATOM 1264 CB LYS A 84 -1.466 2.600 -13.660 1.00 1.00 C ATOM 1265 CG LYS A 84 -0.712 2.918 -14.954 1.00 1.00 C ATOM 1266 CD LYS A 84 0.094 1.694 -15.389 1.00 1.00 C ATOM 1267 CE LYS A 84 -0.851 0.631 -15.948 1.00 1.00 C ATOM 1268 NZ LYS A 84 -0.766 0.624 -17.435 1.00 1.00 N ATOM 0 H LYS A 84 -1.979 2.896 -11.231 1.00 1.00 H new ATOM 0 HA LYS A 84 -1.531 4.738 -13.432 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -0.780 2.189 -12.919 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -2.226 1.841 -13.847 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -1.416 3.200 -15.737 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -0.048 3.768 -14.801 1.00 1.00 H new ATOM 0 HD2 LYS A 84 0.826 1.978 -16.145 1.00 1.00 H new ATOM 0 HD3 LYS A 84 0.650 1.292 -14.542 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -0.586 -0.350 -15.553 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -1.874 0.836 -15.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -1.409 -0.099 -17.816 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -1.039 1.558 -17.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 0.209 0.408 -17.726 1.00 1.00 H new