USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 782 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 21 SER OG : rot -119:sc= 0.0463 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= -0.422 F(o=-5.6,f=-4.8) USER MOD Set 1.3: A 26 CYS SG : rot -5:sc= -2.64 USER MOD Set 1.4: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.5: A 71 HIS : no HE2:sc= -1.77 K(o=-4.8,f=-7.4) USER MOD Set 2.1: A 70 THR OG1 : rot 25:sc= 0.608 USER MOD Set 2.2: A 73 SER OG : rot 92:sc= 0.846 USER MOD Set 3.1: A 53 MET CE :methyl -153:sc= -0.0574 (180deg=-0.664) USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0.0236 USER MOD Set 4.1: A 30 CYS SG : rot 160:sc= -0.502 USER MOD Set 4.2: A 42 MET CE :methyl 162:sc= -2.59 (180deg=-3.95!) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.274 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 19 ASN : amide:sc= -1.67! C(o=-1.7!,f=-2.4!) USER MOD Single : A 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 151:sc= -0.125 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 45 THR OG1 : rot 76:sc= 0.32 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= -0.145 (180deg=-0.99) USER MOD Single : A 63 TYR OH : rot -37:sc= 0.0105 USER MOD Single : A 64 SER OG : rot -110:sc= -0.527 USER MOD Single : A 76 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.13) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.638 F(o=-1.3,f=-0.64) USER MOD Single : A 84 THR OG1 : rot -66:sc= -0.549 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot -115:sc= -4.83! USER MOD Single : A 94 TYR OH : rot 15:sc= -2.97 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 15:sc= 0.552 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.949 -15.365 -4.677 1.00 0.00 N ATOM 2 CA GLY A 1 -16.757 -15.464 -3.856 1.00 0.00 C ATOM 3 C GLY A 1 -16.899 -16.487 -2.747 1.00 0.00 C ATOM 4 O GLY A 1 -17.966 -16.618 -2.148 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.177 -14.363 -4.839 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.782 -15.834 -5.590 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.744 -15.827 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.908 -15.731 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.538 -14.489 -3.421 1.00 0.00 H new ATOM 8 N SER A 2 -15.822 -17.217 -2.476 1.00 0.00 N ATOM 9 CA SER A 2 -15.833 -18.238 -1.435 1.00 0.00 C ATOM 10 C SER A 2 -15.903 -17.602 -0.050 1.00 0.00 C ATOM 11 O SER A 2 -15.893 -16.379 0.085 1.00 0.00 O ATOM 12 CB SER A 2 -14.587 -19.119 -1.542 1.00 0.00 C ATOM 13 OG SER A 2 -13.460 -18.480 -0.966 1.00 0.00 O ATOM 0 H SER A 2 -14.931 -17.120 -2.963 1.00 0.00 H new ATOM 0 HA SER A 2 -16.720 -18.856 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.766 -20.070 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.386 -19.344 -2.589 1.00 0.00 H new ATOM 0 HG SER A 2 -12.677 -19.064 -1.045 1.00 0.00 H new ATOM 19 N SER A 3 -15.973 -18.443 0.978 1.00 0.00 N ATOM 20 CA SER A 3 -16.048 -17.965 2.353 1.00 0.00 C ATOM 21 C SER A 3 -15.210 -18.840 3.279 1.00 0.00 C ATOM 22 O SER A 3 -15.640 -19.190 4.378 1.00 0.00 O ATOM 23 CB SER A 3 -17.502 -17.944 2.829 1.00 0.00 C ATOM 24 OG SER A 3 -17.627 -17.245 4.055 1.00 0.00 O ATOM 0 H SER A 3 -15.979 -19.459 0.884 1.00 0.00 H new ATOM 0 HA SER A 3 -15.649 -16.951 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.129 -17.472 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.863 -18.965 2.951 1.00 0.00 H new ATOM 0 HG SER A 3 -17.029 -17.643 4.721 1.00 0.00 H new ATOM 30 N GLY A 4 -14.010 -19.190 2.826 1.00 0.00 N ATOM 31 CA GLY A 4 -13.130 -20.023 3.626 1.00 0.00 C ATOM 32 C GLY A 4 -12.088 -19.214 4.373 1.00 0.00 C ATOM 33 O GLY A 4 -11.149 -18.692 3.772 1.00 0.00 O ATOM 0 H GLY A 4 -13.632 -18.912 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.724 -20.593 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.631 -20.745 2.979 1.00 0.00 H new ATOM 37 N SER A 5 -12.254 -19.108 5.688 1.00 0.00 N ATOM 38 CA SER A 5 -11.324 -18.352 6.517 1.00 0.00 C ATOM 39 C SER A 5 -11.394 -18.811 7.970 1.00 0.00 C ATOM 40 O SER A 5 -12.279 -19.579 8.348 1.00 0.00 O ATOM 41 CB SER A 5 -11.628 -16.855 6.429 1.00 0.00 C ATOM 42 OG SER A 5 -12.727 -16.508 7.254 1.00 0.00 O ATOM 0 H SER A 5 -13.024 -19.536 6.201 1.00 0.00 H new ATOM 0 HA SER A 5 -10.316 -18.533 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.749 -16.284 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.846 -16.585 5.396 1.00 0.00 H new ATOM 0 HG SER A 5 -12.900 -15.546 7.181 1.00 0.00 H new ATOM 48 N SER A 6 -10.453 -18.336 8.781 1.00 0.00 N ATOM 49 CA SER A 6 -10.406 -18.700 10.192 1.00 0.00 C ATOM 50 C SER A 6 -10.283 -17.458 11.070 1.00 0.00 C ATOM 51 O SER A 6 -10.975 -17.326 12.079 1.00 0.00 O ATOM 52 CB SER A 6 -9.231 -19.644 10.457 1.00 0.00 C ATOM 53 OG SER A 6 -9.633 -20.999 10.355 1.00 0.00 O ATOM 0 H SER A 6 -9.714 -17.699 8.485 1.00 0.00 H new ATOM 0 HA SER A 6 -11.337 -19.209 10.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.432 -19.444 9.744 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.826 -19.455 11.451 1.00 0.00 H new ATOM 0 HG SER A 6 -8.864 -21.582 10.527 1.00 0.00 H new ATOM 59 N GLY A 7 -9.396 -16.548 10.678 1.00 0.00 N ATOM 60 CA GLY A 7 -9.197 -15.329 11.439 1.00 0.00 C ATOM 61 C GLY A 7 -10.420 -14.434 11.428 1.00 0.00 C ATOM 62 O GLY A 7 -11.267 -14.539 10.543 1.00 0.00 O ATOM 0 H GLY A 7 -8.812 -16.634 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.946 -15.584 12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.347 -14.783 11.029 1.00 0.00 H new ATOM 66 N ASN A 8 -10.513 -13.549 12.416 1.00 0.00 N ATOM 67 CA ASN A 8 -11.642 -12.633 12.519 1.00 0.00 C ATOM 68 C ASN A 8 -11.169 -11.220 12.845 1.00 0.00 C ATOM 69 O ASN A 8 -11.580 -10.251 12.205 1.00 0.00 O ATOM 70 CB ASN A 8 -12.623 -13.115 13.590 1.00 0.00 C ATOM 71 CG ASN A 8 -14.045 -12.668 13.316 1.00 0.00 C ATOM 72 OD1 ASN A 8 -14.331 -11.472 13.256 1.00 0.00 O ATOM 73 ND2 ASN A 8 -14.945 -13.630 13.149 1.00 0.00 N ATOM 0 H ASN A 8 -9.819 -13.447 13.157 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.150 -12.613 11.555 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.591 -14.203 13.644 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.308 -12.738 14.563 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.919 -13.391 12.962 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.663 -14.608 13.207 1.00 0.00 H new ATOM 80 N THR A 9 -10.301 -11.109 13.846 1.00 0.00 N ATOM 81 CA THR A 9 -9.771 -9.816 14.259 1.00 0.00 C ATOM 82 C THR A 9 -8.351 -9.613 13.743 1.00 0.00 C ATOM 83 O THR A 9 -7.492 -10.480 13.903 1.00 0.00 O ATOM 84 CB THR A 9 -9.774 -9.671 15.792 1.00 0.00 C ATOM 85 OG1 THR A 9 -9.353 -8.353 16.161 1.00 0.00 O ATOM 86 CG2 THR A 9 -8.857 -10.700 16.435 1.00 0.00 C ATOM 0 H THR A 9 -9.950 -11.900 14.386 1.00 0.00 H new ATOM 0 HA THR A 9 -10.423 -9.056 13.829 1.00 0.00 H new ATOM 0 HB THR A 9 -10.790 -9.840 16.148 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.359 -8.269 17.137 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.876 -10.578 17.518 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.198 -11.703 16.177 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.839 -10.558 16.071 1.00 0.00 H new ATOM 94 N LYS A 10 -8.109 -8.462 13.125 1.00 0.00 N ATOM 95 CA LYS A 10 -6.793 -8.144 12.588 1.00 0.00 C ATOM 96 C LYS A 10 -6.761 -6.724 12.029 1.00 0.00 C ATOM 97 O LYS A 10 -5.815 -5.975 12.268 1.00 0.00 O ATOM 98 CB LYS A 10 -6.411 -9.142 11.492 1.00 0.00 C ATOM 99 CG LYS A 10 -4.960 -9.040 11.055 1.00 0.00 C ATOM 100 CD LYS A 10 -4.042 -9.824 11.977 1.00 0.00 C ATOM 101 CE LYS A 10 -2.647 -9.220 12.020 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.629 -10.132 11.427 1.00 0.00 N ATOM 0 H LYS A 10 -8.809 -7.733 12.984 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.071 -8.212 13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.604 -10.153 11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.054 -8.982 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.859 -9.414 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.656 -7.993 11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.463 -9.842 12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.982 -10.858 11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.644 -8.273 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.379 -8.999 13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.692 -9.684 11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.613 -11.026 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.871 -10.323 10.434 1.00 0.00 H new ATOM 116 N GLN A 11 -7.803 -6.363 11.286 1.00 0.00 N ATOM 117 CA GLN A 11 -7.893 -5.033 10.695 1.00 0.00 C ATOM 118 C GLN A 11 -8.104 -3.972 11.771 1.00 0.00 C ATOM 119 O GLN A 11 -8.215 -4.289 12.956 1.00 0.00 O ATOM 120 CB GLN A 11 -9.035 -4.980 9.680 1.00 0.00 C ATOM 121 CG GLN A 11 -10.387 -5.354 10.264 1.00 0.00 C ATOM 122 CD GLN A 11 -11.538 -4.642 9.580 1.00 0.00 C ATOM 123 OE1 GLN A 11 -11.579 -4.544 8.354 1.00 0.00 O ATOM 124 NE2 GLN A 11 -12.480 -4.142 10.371 1.00 0.00 N ATOM 0 H GLN A 11 -8.595 -6.972 11.079 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.952 -4.825 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.094 -3.974 9.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.807 -5.653 8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.529 -6.431 10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.398 -5.114 11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.405 -4.247 11.383 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.279 -3.653 9.967 1.00 0.00 H new ATOM 133 N LEU A 12 -8.157 -2.713 11.351 1.00 0.00 N ATOM 134 CA LEU A 12 -8.354 -1.605 12.279 1.00 0.00 C ATOM 135 C LEU A 12 -9.701 -0.930 12.042 1.00 0.00 C ATOM 136 O LEU A 12 -10.174 -0.847 10.908 1.00 0.00 O ATOM 137 CB LEU A 12 -7.226 -0.583 12.131 1.00 0.00 C ATOM 138 CG LEU A 12 -5.883 -0.970 12.754 1.00 0.00 C ATOM 139 CD1 LEU A 12 -4.734 -0.349 11.976 1.00 0.00 C ATOM 140 CD2 LEU A 12 -5.832 -0.548 14.215 1.00 0.00 C ATOM 0 H LEU A 12 -8.066 -2.434 10.374 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.342 -2.006 13.293 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.070 -0.395 11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.553 0.356 12.576 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.781 -2.054 12.706 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.787 -0.636 12.434 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.760 -0.702 10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.830 0.737 11.990 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.870 -0.831 14.642 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.957 0.532 14.286 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.633 -1.043 14.765 1.00 0.00 H new ATOM 152 N ARG A 13 -10.312 -0.447 13.119 1.00 0.00 N ATOM 153 CA ARG A 13 -11.604 0.223 13.027 1.00 0.00 C ATOM 154 C ARG A 13 -11.440 1.657 12.532 1.00 0.00 C ATOM 155 O ARG A 13 -10.535 2.373 12.962 1.00 0.00 O ATOM 156 CB ARG A 13 -12.302 0.219 14.389 1.00 0.00 C ATOM 157 CG ARG A 13 -13.119 -1.035 14.650 1.00 0.00 C ATOM 158 CD ARG A 13 -14.594 -0.810 14.355 1.00 0.00 C ATOM 159 NE ARG A 13 -14.900 -0.971 12.936 1.00 0.00 N ATOM 160 CZ ARG A 13 -16.102 -0.759 12.415 1.00 0.00 C ATOM 161 NH1 ARG A 13 -17.108 -0.380 13.192 1.00 0.00 N ATOM 162 NH2 ARG A 13 -16.302 -0.925 11.114 1.00 0.00 N ATOM 0 H ARG A 13 -9.934 -0.507 14.064 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.217 -0.322 12.310 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.552 0.323 15.173 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.956 1.089 14.456 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.743 -1.851 14.032 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.997 -1.340 15.689 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.191 -1.513 14.936 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.879 0.192 14.676 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.148 -1.262 12.311 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.959 -0.251 14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.031 -0.218 12.789 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.531 -1.216 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.226 -0.762 10.715 1.00 0.00 H new ATOM 176 N PHE A 14 -12.320 2.069 11.625 1.00 0.00 N ATOM 177 CA PHE A 14 -12.272 3.417 11.071 1.00 0.00 C ATOM 178 C PHE A 14 -12.172 4.458 12.181 1.00 0.00 C ATOM 179 O PHE A 14 -11.367 5.386 12.105 1.00 0.00 O ATOM 180 CB PHE A 14 -13.511 3.683 10.215 1.00 0.00 C ATOM 181 CG PHE A 14 -13.599 5.096 9.710 1.00 0.00 C ATOM 182 CD1 PHE A 14 -12.899 5.485 8.579 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.380 6.032 10.367 1.00 0.00 C ATOM 184 CE1 PHE A 14 -12.978 6.784 8.111 1.00 0.00 C ATOM 185 CE2 PHE A 14 -14.463 7.333 9.904 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.760 7.708 8.776 1.00 0.00 C ATOM 0 H PHE A 14 -13.075 1.489 11.258 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.383 3.495 10.445 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.508 3.001 9.365 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.402 3.459 10.801 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.285 4.766 8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.930 5.743 11.250 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.429 7.075 7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.076 8.054 10.424 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.822 8.724 8.414 1.00 0.00 H new ATOM 196 N GLU A 15 -12.998 4.299 13.210 1.00 0.00 N ATOM 197 CA GLU A 15 -13.004 5.226 14.336 1.00 0.00 C ATOM 198 C GLU A 15 -11.690 5.151 15.109 1.00 0.00 C ATOM 199 O GLU A 15 -11.327 6.083 15.827 1.00 0.00 O ATOM 200 CB GLU A 15 -14.177 4.922 15.269 1.00 0.00 C ATOM 201 CG GLU A 15 -15.530 4.955 14.578 1.00 0.00 C ATOM 202 CD GLU A 15 -16.533 4.014 15.216 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.274 2.793 15.236 1.00 0.00 O ATOM 204 OE2 GLU A 15 -17.579 4.500 15.696 1.00 0.00 O ATOM 0 H GLU A 15 -13.672 3.537 13.287 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.116 6.236 13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.030 3.938 15.715 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.178 5.645 16.085 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.923 5.971 14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.404 4.689 13.528 1.00 0.00 H new ATOM 211 N ASP A 16 -10.984 4.037 14.957 1.00 0.00 N ATOM 212 CA ASP A 16 -9.710 3.840 15.640 1.00 0.00 C ATOM 213 C ASP A 16 -8.550 4.329 14.779 1.00 0.00 C ATOM 214 O ASP A 16 -7.506 4.729 15.295 1.00 0.00 O ATOM 215 CB ASP A 16 -9.517 2.363 15.987 1.00 0.00 C ATOM 216 CG ASP A 16 -9.877 2.055 17.427 1.00 0.00 C ATOM 217 OD1 ASP A 16 -9.244 2.635 18.334 1.00 0.00 O ATOM 218 OD2 ASP A 16 -10.791 1.233 17.647 1.00 0.00 O ATOM 0 H ASP A 16 -11.272 3.256 14.367 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.725 4.423 16.561 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.131 1.754 15.324 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.479 2.083 15.807 1.00 0.00 H new ATOM 223 N VAL A 17 -8.740 4.294 13.464 1.00 0.00 N ATOM 224 CA VAL A 17 -7.709 4.733 12.531 1.00 0.00 C ATOM 225 C VAL A 17 -7.737 6.248 12.355 1.00 0.00 C ATOM 226 O VAL A 17 -6.693 6.888 12.232 1.00 0.00 O ATOM 227 CB VAL A 17 -7.876 4.064 11.154 1.00 0.00 C ATOM 228 CG1 VAL A 17 -7.043 4.784 10.105 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.500 2.592 11.228 1.00 0.00 C ATOM 0 H VAL A 17 -9.598 3.966 13.021 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.750 4.437 12.956 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.923 4.133 10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.174 4.297 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.366 5.823 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.991 4.749 10.389 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.624 2.135 10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.461 2.497 11.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.145 2.087 11.947 1.00 0.00 H new ATOM 239 N VAL A 18 -8.939 6.814 12.344 1.00 0.00 N ATOM 240 CA VAL A 18 -9.105 8.254 12.184 1.00 0.00 C ATOM 241 C VAL A 18 -8.864 8.984 13.501 1.00 0.00 C ATOM 242 O VAL A 18 -9.704 9.761 13.953 1.00 0.00 O ATOM 243 CB VAL A 18 -10.512 8.603 11.665 1.00 0.00 C ATOM 244 CG1 VAL A 18 -10.727 8.027 10.274 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.575 8.102 12.629 1.00 0.00 C ATOM 0 H VAL A 18 -9.813 6.297 12.444 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.366 8.579 11.452 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.597 9.688 11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.727 8.284 9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.986 8.441 9.590 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.623 6.943 10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.563 8.358 12.246 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.494 7.020 12.730 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.432 8.569 13.603 1.00 0.00 H new ATOM 255 N ASN A 19 -7.713 8.728 14.111 1.00 0.00 N ATOM 256 CA ASN A 19 -7.361 9.362 15.378 1.00 0.00 C ATOM 257 C ASN A 19 -5.927 9.025 15.776 1.00 0.00 C ATOM 258 O ASN A 19 -5.229 9.846 16.370 1.00 0.00 O ATOM 259 CB ASN A 19 -8.326 8.916 16.479 1.00 0.00 C ATOM 260 CG ASN A 19 -7.792 7.740 17.274 1.00 0.00 C ATOM 261 OD1 ASN A 19 -6.830 7.872 18.031 1.00 0.00 O ATOM 262 ND2 ASN A 19 -8.416 6.579 17.105 1.00 0.00 N ATOM 0 H ASN A 19 -7.007 8.086 13.750 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.439 10.442 15.250 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.515 9.751 17.153 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.282 8.645 16.032 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.102 5.752 17.613 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.209 6.515 16.467 1.00 0.00 H new ATOM 269 N GLN A 20 -5.496 7.812 15.443 1.00 0.00 N ATOM 270 CA GLN A 20 -4.145 7.368 15.765 1.00 0.00 C ATOM 271 C GLN A 20 -3.146 8.511 15.619 1.00 0.00 C ATOM 272 O GLN A 20 -2.243 8.667 16.441 1.00 0.00 O ATOM 273 CB GLN A 20 -3.740 6.202 14.861 1.00 0.00 C ATOM 274 CG GLN A 20 -4.156 4.842 15.398 1.00 0.00 C ATOM 275 CD GLN A 20 -4.058 3.747 14.355 1.00 0.00 C ATOM 276 OE1 GLN A 20 -5.070 3.288 13.823 1.00 0.00 O ATOM 277 NE2 GLN A 20 -2.837 3.321 14.056 1.00 0.00 N ATOM 0 H GLN A 20 -6.062 7.120 14.951 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.137 7.034 16.803 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.184 6.346 13.876 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.658 6.215 14.728 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.527 4.584 16.250 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.181 4.899 15.764 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.026 3.729 14.521 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.709 2.585 13.361 1.00 0.00 H new ATOM 286 N SER A 21 -3.314 9.306 14.568 1.00 0.00 N ATOM 287 CA SER A 21 -2.424 10.432 14.311 1.00 0.00 C ATOM 288 C SER A 21 -3.215 11.730 14.178 1.00 0.00 C ATOM 289 O SER A 21 -4.421 11.712 13.935 1.00 0.00 O ATOM 290 CB SER A 21 -1.608 10.186 13.041 1.00 0.00 C ATOM 291 OG SER A 21 -2.378 10.449 11.882 1.00 0.00 O ATOM 0 H SER A 21 -4.058 9.191 13.880 1.00 0.00 H new ATOM 0 HA SER A 21 -1.744 10.526 15.158 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.722 10.822 13.045 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.259 9.153 13.023 1.00 0.00 H new ATOM 0 HG SER A 21 -2.458 9.630 11.350 1.00 0.00 H new ATOM 297 N SER A 22 -2.525 12.855 14.340 1.00 0.00 N ATOM 298 CA SER A 22 -3.163 14.162 14.241 1.00 0.00 C ATOM 299 C SER A 22 -4.048 14.244 13.001 1.00 0.00 C ATOM 300 O SER A 22 -3.735 13.692 11.946 1.00 0.00 O ATOM 301 CB SER A 22 -2.105 15.267 14.200 1.00 0.00 C ATOM 302 OG SER A 22 -1.519 15.460 15.476 1.00 0.00 O ATOM 0 H SER A 22 -1.525 12.887 14.540 1.00 0.00 H new ATOM 0 HA SER A 22 -3.790 14.300 15.122 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.332 15.008 13.477 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.560 16.198 13.861 1.00 0.00 H new ATOM 0 HG SER A 22 -0.845 16.170 15.423 1.00 0.00 H new ATOM 308 N PRO A 23 -5.181 14.950 13.129 1.00 0.00 N ATOM 309 CA PRO A 23 -6.135 15.121 12.030 1.00 0.00 C ATOM 310 C PRO A 23 -5.589 16.015 10.922 1.00 0.00 C ATOM 311 O PRO A 23 -6.064 15.977 9.787 1.00 0.00 O ATOM 312 CB PRO A 23 -7.339 15.783 12.705 1.00 0.00 C ATOM 313 CG PRO A 23 -6.771 16.481 13.893 1.00 0.00 C ATOM 314 CD PRO A 23 -5.618 15.636 14.357 1.00 0.00 C ATOM 0 HA PRO A 23 -6.369 14.174 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.834 16.484 12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.084 15.044 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.439 17.486 13.633 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.519 16.586 14.679 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.820 16.244 14.783 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.924 14.927 15.126 1.00 0.00 H new ATOM 322 N LYS A 24 -4.586 16.821 11.258 1.00 0.00 N ATOM 323 CA LYS A 24 -3.973 17.723 10.291 1.00 0.00 C ATOM 324 C LYS A 24 -3.040 16.963 9.353 1.00 0.00 C ATOM 325 O LYS A 24 -2.995 17.235 8.153 1.00 0.00 O ATOM 326 CB LYS A 24 -3.197 18.826 11.014 1.00 0.00 C ATOM 327 CG LYS A 24 -3.797 20.210 10.833 1.00 0.00 C ATOM 328 CD LYS A 24 -3.888 20.956 12.154 1.00 0.00 C ATOM 329 CE LYS A 24 -5.129 21.832 12.217 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.909 23.154 11.568 1.00 0.00 N ATOM 0 H LYS A 24 -4.181 16.867 12.193 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.768 18.174 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.157 18.593 12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.169 18.834 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.189 20.782 10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.791 20.122 10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.905 20.241 12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.999 21.573 12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.959 21.321 11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.415 21.982 13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.778 23.721 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.134 23.653 12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.661 23.013 10.568 1.00 0.00 H new ATOM 344 N ASN A 25 -2.298 16.010 9.906 1.00 0.00 N ATOM 345 CA ASN A 25 -1.368 15.210 9.118 1.00 0.00 C ATOM 346 C ASN A 25 -2.025 13.914 8.650 1.00 0.00 C ATOM 347 O ASN A 25 -2.327 13.034 9.456 1.00 0.00 O ATOM 348 CB ASN A 25 -0.115 14.893 9.938 1.00 0.00 C ATOM 349 CG ASN A 25 0.546 13.599 9.506 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.122 12.489 10.101 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 1.426 13.595 8.646 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.323 15.773 10.898 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.083 15.789 8.240 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.597 15.712 9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.381 14.827 10.993 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.722 14.471 8.215 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.860 12.716 8.364 1.00 0.00 H new ATOM 358 N CYS A 26 -2.241 13.807 7.345 1.00 0.00 N ATOM 359 CA CYS A 26 -2.862 12.619 6.768 1.00 0.00 C ATOM 360 C CYS A 26 -1.943 11.970 5.739 1.00 0.00 C ATOM 361 O CYS A 26 -1.818 12.449 4.612 1.00 0.00 O ATOM 362 CB CYS A 26 -4.199 12.980 6.119 1.00 0.00 C ATOM 363 SG CYS A 26 -5.219 14.101 7.107 1.00 0.00 S ATOM 0 H CYS A 26 -1.996 14.527 6.666 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.038 11.905 7.573 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.008 13.439 5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.760 12.064 5.933 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.647 14.309 8.256 1.00 0.00 H new ATOM 369 N THR A 27 -1.298 10.876 6.135 1.00 0.00 N ATOM 370 CA THR A 27 -0.388 10.163 5.248 1.00 0.00 C ATOM 371 C THR A 27 -0.702 8.671 5.222 1.00 0.00 C ATOM 372 O THR A 27 -1.259 8.127 6.176 1.00 0.00 O ATOM 373 CB THR A 27 1.079 10.359 5.673 1.00 0.00 C ATOM 374 OG1 THR A 27 1.344 11.749 5.894 1.00 0.00 O ATOM 375 CG2 THR A 27 2.027 9.818 4.613 1.00 0.00 C ATOM 0 H THR A 27 -1.390 10.465 7.064 1.00 0.00 H new ATOM 0 HA THR A 27 -0.529 10.579 4.250 1.00 0.00 H new ATOM 0 HB THR A 27 1.243 9.807 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.278 11.865 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.057 9.968 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.843 8.753 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.861 10.345 3.673 1.00 0.00 H new ATOM 383 N VAL A 28 -0.342 8.014 4.125 1.00 0.00 N ATOM 384 CA VAL A 28 -0.584 6.584 3.975 1.00 0.00 C ATOM 385 C VAL A 28 0.681 5.856 3.535 1.00 0.00 C ATOM 386 O VAL A 28 1.116 5.980 2.389 1.00 0.00 O ATOM 387 CB VAL A 28 -1.704 6.308 2.954 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.696 4.846 2.534 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.057 6.698 3.529 1.00 0.00 C ATOM 0 H VAL A 28 0.119 8.449 3.326 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.893 6.211 4.951 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.522 6.917 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.494 4.670 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.736 4.603 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.853 4.215 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.836 6.496 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.250 6.118 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.056 7.760 3.774 1.00 0.00 H new ATOM 399 N TYR A 29 1.268 5.094 4.451 1.00 0.00 N ATOM 400 CA TYR A 29 2.485 4.346 4.159 1.00 0.00 C ATOM 401 C TYR A 29 2.157 2.928 3.704 1.00 0.00 C ATOM 402 O TYR A 29 1.630 2.123 4.474 1.00 0.00 O ATOM 403 CB TYR A 29 3.390 4.303 5.391 1.00 0.00 C ATOM 404 CG TYR A 29 4.659 3.507 5.182 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.647 2.119 5.231 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.869 4.144 4.937 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.804 1.388 5.042 1.00 0.00 C ATOM 408 CE2 TYR A 29 7.031 3.421 4.745 1.00 0.00 C ATOM 409 CZ TYR A 29 6.993 2.043 4.799 1.00 0.00 C ATOM 410 OH TYR A 29 8.148 1.320 4.609 1.00 0.00 O ATOM 0 H TYR A 29 0.920 4.978 5.403 1.00 0.00 H new ATOM 0 HA TYR A 29 3.009 4.855 3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.653 5.322 5.674 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.835 3.873 6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.718 1.602 5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.902 5.223 4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.777 0.309 5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.963 3.932 4.554 1.00 0.00 H new ATOM 0 HH TYR A 29 8.754 1.820 4.023 1.00 0.00 H new ATOM 420 N CYS A 30 2.472 2.628 2.450 1.00 0.00 N ATOM 421 CA CYS A 30 2.211 1.306 1.891 1.00 0.00 C ATOM 422 C CYS A 30 3.492 0.481 1.824 1.00 0.00 C ATOM 423 O CYS A 30 4.428 0.825 1.103 1.00 0.00 O ATOM 424 CB CYS A 30 1.598 1.432 0.495 1.00 0.00 C ATOM 425 SG CYS A 30 0.443 0.107 0.074 1.00 0.00 S ATOM 0 H CYS A 30 2.909 3.282 1.800 1.00 0.00 H new ATOM 0 HA CYS A 30 1.505 0.795 2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.080 2.388 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.401 1.448 -0.242 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.328 0.496 -0.898 1.00 0.00 H new ATOM 431 N GLY A 31 3.528 -0.609 2.585 1.00 0.00 N ATOM 432 CA GLY A 31 4.700 -1.465 2.599 1.00 0.00 C ATOM 433 C GLY A 31 4.368 -2.908 2.273 1.00 0.00 C ATOM 434 O GLY A 31 3.461 -3.492 2.864 1.00 0.00 O ATOM 0 H GLY A 31 2.767 -0.914 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.428 -1.091 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.170 -1.416 3.581 1.00 0.00 H new ATOM 438 N GLY A 32 5.105 -3.484 1.327 1.00 0.00 N ATOM 439 CA GLY A 32 4.867 -4.862 0.939 1.00 0.00 C ATOM 440 C GLY A 32 5.375 -5.166 -0.456 1.00 0.00 C ATOM 441 O GLY A 32 6.042 -6.179 -0.674 1.00 0.00 O ATOM 0 H GLY A 32 5.862 -3.021 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.354 -5.527 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.798 -5.071 0.987 1.00 0.00 H new ATOM 445 N ILE A 33 5.058 -4.290 -1.404 1.00 0.00 N ATOM 446 CA ILE A 33 5.486 -4.472 -2.785 1.00 0.00 C ATOM 447 C ILE A 33 6.991 -4.266 -2.926 1.00 0.00 C ATOM 448 O ILE A 33 7.568 -3.381 -2.294 1.00 0.00 O ATOM 449 CB ILE A 33 4.756 -3.501 -3.733 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.247 -3.555 -3.489 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.076 -3.836 -5.182 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.577 -2.200 -3.550 1.00 0.00 C ATOM 0 H ILE A 33 4.506 -3.448 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 33 5.234 -5.496 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 33 5.102 -2.488 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.790 -4.211 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.061 -4.000 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.553 -3.142 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.150 -3.752 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.754 -4.854 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.508 -2.314 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.007 -1.547 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.732 -1.761 -4.536 1.00 0.00 H new ATOM 464 N ALA A 34 7.620 -5.088 -3.760 1.00 0.00 N ATOM 465 CA ALA A 34 9.057 -4.994 -3.986 1.00 0.00 C ATOM 466 C ALA A 34 9.387 -5.112 -5.470 1.00 0.00 C ATOM 467 O ALA A 34 10.195 -4.348 -5.998 1.00 0.00 O ATOM 468 CB ALA A 34 9.787 -6.068 -3.194 1.00 0.00 C ATOM 0 H ALA A 34 7.157 -5.826 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 34 9.391 -4.015 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.859 -5.986 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.585 -5.937 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.441 -7.052 -3.510 1.00 0.00 H new ATOM 474 N SER A 35 8.758 -6.074 -6.138 1.00 0.00 N ATOM 475 CA SER A 35 8.988 -6.294 -7.560 1.00 0.00 C ATOM 476 C SER A 35 7.787 -5.838 -8.382 1.00 0.00 C ATOM 477 O SER A 35 7.598 -6.271 -9.519 1.00 0.00 O ATOM 478 CB SER A 35 9.272 -7.774 -7.829 1.00 0.00 C ATOM 479 OG SER A 35 10.640 -7.983 -8.136 1.00 0.00 O ATOM 0 H SER A 35 8.085 -6.714 -5.716 1.00 0.00 H new ATOM 0 HA SER A 35 9.855 -5.704 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.998 -8.365 -6.955 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.653 -8.122 -8.656 1.00 0.00 H new ATOM 0 HG SER A 35 10.796 -8.936 -8.302 1.00 0.00 H new ATOM 485 N GLY A 36 6.978 -4.960 -7.799 1.00 0.00 N ATOM 486 CA GLY A 36 5.804 -4.459 -8.490 1.00 0.00 C ATOM 487 C GLY A 36 5.327 -3.132 -7.935 1.00 0.00 C ATOM 488 O GLY A 36 4.123 -2.894 -7.823 1.00 0.00 O ATOM 0 H GLY A 36 7.114 -4.586 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.031 -4.345 -9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.001 -5.192 -8.413 1.00 0.00 H new ATOM 492 N LEU A 37 6.269 -2.265 -7.584 1.00 0.00 N ATOM 493 CA LEU A 37 5.938 -0.954 -7.034 1.00 0.00 C ATOM 494 C LEU A 37 6.024 0.124 -8.110 1.00 0.00 C ATOM 495 O LEU A 37 7.102 0.414 -8.629 1.00 0.00 O ATOM 496 CB LEU A 37 6.878 -0.613 -5.876 1.00 0.00 C ATOM 497 CG LEU A 37 6.236 0.079 -4.673 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.268 0.902 -3.918 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.075 0.956 -5.120 1.00 0.00 C ATOM 0 H LEU A 37 7.269 -2.445 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 37 4.914 -0.990 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.348 -1.535 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.674 0.027 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 37 5.849 -0.687 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.793 1.387 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.067 0.249 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.685 1.660 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.630 1.441 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.438 1.715 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.325 0.341 -5.617 1.00 0.00 H new ATOM 511 N THR A 38 4.881 0.718 -8.438 1.00 0.00 N ATOM 512 CA THR A 38 4.827 1.765 -9.450 1.00 0.00 C ATOM 513 C THR A 38 3.822 2.847 -9.069 1.00 0.00 C ATOM 514 O THR A 38 2.692 2.549 -8.682 1.00 0.00 O ATOM 515 CB THR A 38 4.451 1.194 -10.829 1.00 0.00 C ATOM 516 OG1 THR A 38 3.390 0.243 -10.694 1.00 0.00 O ATOM 517 CG2 THR A 38 5.652 0.532 -11.487 1.00 0.00 C ATOM 0 H THR A 38 3.980 0.492 -8.017 1.00 0.00 H new ATOM 0 HA THR A 38 5.824 2.202 -9.506 1.00 0.00 H new ATOM 0 HB THR A 38 4.120 2.019 -11.460 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.156 -0.114 -11.576 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.361 0.136 -12.460 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.447 1.267 -11.617 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.010 -0.282 -10.856 1.00 0.00 H new ATOM 525 N ASP A 39 4.240 4.103 -9.181 1.00 0.00 N ATOM 526 CA ASP A 39 3.375 5.229 -8.849 1.00 0.00 C ATOM 527 C ASP A 39 1.958 4.994 -9.361 1.00 0.00 C ATOM 528 O ASP A 39 0.984 5.400 -8.727 1.00 0.00 O ATOM 529 CB ASP A 39 3.938 6.522 -9.441 1.00 0.00 C ATOM 530 CG ASP A 39 3.434 7.756 -8.719 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.242 8.093 -8.882 1.00 0.00 O ATOM 532 OD2 ASP A 39 4.231 8.386 -7.993 1.00 0.00 O ATOM 0 H ASP A 39 5.172 4.367 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 39 3.338 5.321 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.027 6.496 -9.394 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.666 6.584 -10.495 1.00 0.00 H new ATOM 537 N GLN A 40 1.851 4.338 -10.512 1.00 0.00 N ATOM 538 CA GLN A 40 0.552 4.052 -11.109 1.00 0.00 C ATOM 539 C GLN A 40 -0.247 3.086 -10.239 1.00 0.00 C ATOM 540 O GLN A 40 -1.444 3.275 -10.021 1.00 0.00 O ATOM 541 CB GLN A 40 0.729 3.467 -12.511 1.00 0.00 C ATOM 542 CG GLN A 40 -0.568 3.371 -13.299 1.00 0.00 C ATOM 543 CD GLN A 40 -0.381 3.689 -14.770 1.00 0.00 C ATOM 544 OE1 GLN A 40 -0.027 4.811 -15.135 1.00 0.00 O ATOM 545 NE2 GLN A 40 -0.618 2.700 -15.624 1.00 0.00 N ATOM 0 H GLN A 40 2.647 3.995 -11.049 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.000 4.989 -11.181 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.437 4.083 -13.066 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.168 2.473 -12.428 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.977 2.366 -13.197 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.300 4.057 -12.873 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.909 1.786 -15.278 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.508 2.854 -16.626 1.00 0.00 H new ATOM 554 N LEU A 41 0.423 2.052 -9.746 1.00 0.00 N ATOM 555 CA LEU A 41 -0.224 1.055 -8.900 1.00 0.00 C ATOM 556 C LEU A 41 -0.861 1.708 -7.678 1.00 0.00 C ATOM 557 O LEU A 41 -2.067 1.598 -7.461 1.00 0.00 O ATOM 558 CB LEU A 41 0.790 -0.003 -8.456 1.00 0.00 C ATOM 559 CG LEU A 41 0.252 -1.110 -7.550 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.970 -1.766 -8.175 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.332 -2.145 -7.273 1.00 0.00 C ATOM 0 H LEU A 41 1.414 1.881 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.009 0.575 -9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.216 -0.465 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.606 0.500 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.047 -0.663 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.339 -2.552 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.750 -1.019 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.698 -2.199 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.931 -2.925 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.662 -2.587 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.178 -1.665 -6.781 1.00 0.00 H new ATOM 573 N MET A 42 -0.042 2.390 -6.883 1.00 0.00 N ATOM 574 CA MET A 42 -0.527 3.065 -5.685 1.00 0.00 C ATOM 575 C MET A 42 -1.592 4.098 -6.036 1.00 0.00 C ATOM 576 O MET A 42 -2.650 4.151 -5.410 1.00 0.00 O ATOM 577 CB MET A 42 0.633 3.739 -4.948 1.00 0.00 C ATOM 578 CG MET A 42 1.589 2.756 -4.292 1.00 0.00 C ATOM 579 SD MET A 42 0.816 1.821 -2.959 1.00 0.00 S ATOM 580 CE MET A 42 0.653 0.210 -3.725 1.00 0.00 C ATOM 0 H MET A 42 0.960 2.489 -7.047 1.00 0.00 H new ATOM 0 HA MET A 42 -0.975 2.316 -5.033 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.189 4.359 -5.652 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.230 4.405 -4.185 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.966 2.064 -5.045 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.449 3.299 -3.899 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.497 -0.545 -2.955 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.198 0.215 -4.406 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.561 -0.022 -4.282 1.00 0.00 H new ATOM 590 N ARG A 43 -1.304 4.920 -7.041 1.00 0.00 N ATOM 591 CA ARG A 43 -2.236 5.954 -7.473 1.00 0.00 C ATOM 592 C ARG A 43 -3.580 5.345 -7.863 1.00 0.00 C ATOM 593 O ARG A 43 -4.635 5.882 -7.530 1.00 0.00 O ATOM 594 CB ARG A 43 -1.654 6.732 -8.655 1.00 0.00 C ATOM 595 CG ARG A 43 -2.347 8.062 -8.908 1.00 0.00 C ATOM 596 CD ARG A 43 -1.581 8.906 -9.915 1.00 0.00 C ATOM 597 NE ARG A 43 -2.466 9.521 -10.900 1.00 0.00 N ATOM 598 CZ ARG A 43 -2.038 10.281 -11.901 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.742 10.518 -12.050 1.00 0.00 N ATOM 600 NH2 ARG A 43 -2.906 10.806 -12.757 1.00 0.00 N ATOM 0 H ARG A 43 -0.433 4.889 -7.571 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.395 6.638 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.594 6.912 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.724 6.118 -9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.358 7.883 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.441 8.609 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.028 9.684 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.847 8.283 -10.426 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.469 9.358 -10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.071 10.116 -11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.416 11.102 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.904 10.626 -12.646 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.575 11.390 -13.525 1.00 0.00 H new ATOM 614 N GLN A 44 -3.531 4.222 -8.573 1.00 0.00 N ATOM 615 CA GLN A 44 -4.744 3.542 -9.010 1.00 0.00 C ATOM 616 C GLN A 44 -5.480 2.926 -7.823 1.00 0.00 C ATOM 617 O GLN A 44 -6.694 3.075 -7.686 1.00 0.00 O ATOM 618 CB GLN A 44 -4.407 2.457 -10.034 1.00 0.00 C ATOM 619 CG GLN A 44 -5.515 2.208 -11.044 1.00 0.00 C ATOM 620 CD GLN A 44 -5.138 1.166 -12.079 1.00 0.00 C ATOM 621 OE1 GLN A 44 -4.146 0.453 -11.926 1.00 0.00 O ATOM 622 NE2 GLN A 44 -5.930 1.073 -13.141 1.00 0.00 N ATOM 0 H GLN A 44 -2.665 3.765 -8.857 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.396 4.281 -9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.499 2.741 -10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.191 1.527 -9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.414 1.885 -10.519 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.759 3.143 -11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.742 1.684 -13.227 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.726 0.390 -13.871 1.00 0.00 H new ATOM 631 N THR A 45 -4.736 2.231 -6.968 1.00 0.00 N ATOM 632 CA THR A 45 -5.317 1.591 -5.795 1.00 0.00 C ATOM 633 C THR A 45 -5.914 2.623 -4.845 1.00 0.00 C ATOM 634 O THR A 45 -6.897 2.350 -4.156 1.00 0.00 O ATOM 635 CB THR A 45 -4.269 0.756 -5.034 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.779 -0.297 -5.873 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.866 0.164 -3.766 1.00 0.00 C ATOM 0 H THR A 45 -3.730 2.097 -7.066 1.00 0.00 H new ATOM 0 HA THR A 45 -6.107 0.931 -6.154 1.00 0.00 H new ATOM 0 HB THR A 45 -3.445 1.413 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.155 0.073 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.108 -0.421 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.212 0.968 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.706 -0.480 -4.026 1.00 0.00 H new ATOM 645 N PHE A 46 -5.316 3.808 -4.814 1.00 0.00 N ATOM 646 CA PHE A 46 -5.789 4.881 -3.948 1.00 0.00 C ATOM 647 C PHE A 46 -6.682 5.849 -4.719 1.00 0.00 C ATOM 648 O PHE A 46 -7.386 6.668 -4.127 1.00 0.00 O ATOM 649 CB PHE A 46 -4.604 5.637 -3.342 1.00 0.00 C ATOM 650 CG PHE A 46 -3.774 4.801 -2.411 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.366 4.093 -1.378 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.399 4.723 -2.568 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.605 3.322 -0.520 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.632 3.954 -1.713 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.236 3.254 -0.687 1.00 0.00 C ATOM 0 H PHE A 46 -4.502 4.050 -5.379 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.375 4.433 -3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.970 6.008 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.976 6.508 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.436 4.144 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.921 5.269 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.080 2.774 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.562 3.901 -1.847 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.638 2.654 -0.016 1.00 0.00 H new ATOM 665 N SER A 47 -6.648 5.748 -6.044 1.00 0.00 N ATOM 666 CA SER A 47 -7.450 6.617 -6.897 1.00 0.00 C ATOM 667 C SER A 47 -8.876 6.733 -6.367 1.00 0.00 C ATOM 668 O SER A 47 -9.365 7.820 -6.059 1.00 0.00 O ATOM 669 CB SER A 47 -7.470 6.082 -8.331 1.00 0.00 C ATOM 670 OG SER A 47 -6.988 7.053 -9.244 1.00 0.00 O ATOM 0 H SER A 47 -6.074 5.073 -6.550 1.00 0.00 H new ATOM 0 HA SER A 47 -6.997 7.608 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.858 5.182 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.486 5.796 -8.602 1.00 0.00 H new ATOM 0 HG SER A 47 -7.009 6.687 -10.153 1.00 0.00 H new ATOM 676 N PRO A 48 -9.561 5.585 -6.255 1.00 0.00 N ATOM 677 CA PRO A 48 -10.940 5.530 -5.761 1.00 0.00 C ATOM 678 C PRO A 48 -11.035 5.845 -4.272 1.00 0.00 C ATOM 679 O PRO A 48 -11.939 6.556 -3.835 1.00 0.00 O ATOM 680 CB PRO A 48 -11.355 4.081 -6.028 1.00 0.00 C ATOM 681 CG PRO A 48 -10.077 3.317 -6.042 1.00 0.00 C ATOM 682 CD PRO A 48 -9.042 4.251 -6.603 1.00 0.00 C ATOM 0 HA PRO A 48 -11.577 6.267 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.028 3.713 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.882 3.989 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.806 2.992 -5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.166 2.420 -6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.061 4.074 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.934 4.130 -7.681 1.00 0.00 H new ATOM 690 N PHE A 49 -10.097 5.312 -3.498 1.00 0.00 N ATOM 691 CA PHE A 49 -10.075 5.535 -2.057 1.00 0.00 C ATOM 692 C PHE A 49 -10.193 7.023 -1.737 1.00 0.00 C ATOM 693 O PHE A 49 -10.519 7.403 -0.613 1.00 0.00 O ATOM 694 CB PHE A 49 -8.788 4.972 -1.451 1.00 0.00 C ATOM 695 CG PHE A 49 -8.899 3.531 -1.041 1.00 0.00 C ATOM 696 CD1 PHE A 49 -9.959 3.100 -0.258 1.00 0.00 C ATOM 697 CD2 PHE A 49 -7.944 2.609 -1.437 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.064 1.776 0.122 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.046 1.283 -1.061 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.106 0.866 -0.280 1.00 0.00 C ATOM 0 H PHE A 49 -9.341 4.722 -3.844 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.929 5.017 -1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.980 5.074 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.514 5.569 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.711 3.807 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.111 2.930 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.894 1.453 0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.297 0.573 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.186 -0.170 0.016 1.00 0.00 H new ATOM 710 N GLY A 50 -9.924 7.860 -2.734 1.00 0.00 N ATOM 711 CA GLY A 50 -10.005 9.296 -2.538 1.00 0.00 C ATOM 712 C GLY A 50 -9.044 10.057 -3.431 1.00 0.00 C ATOM 713 O GLY A 50 -8.540 9.515 -4.414 1.00 0.00 O ATOM 0 H GLY A 50 -9.652 7.570 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.023 9.630 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.791 9.530 -1.495 1.00 0.00 H new ATOM 717 N GLN A 51 -8.794 11.317 -3.088 1.00 0.00 N ATOM 718 CA GLN A 51 -7.890 12.154 -3.868 1.00 0.00 C ATOM 719 C GLN A 51 -6.465 12.061 -3.334 1.00 0.00 C ATOM 720 O GLN A 51 -6.251 11.950 -2.126 1.00 0.00 O ATOM 721 CB GLN A 51 -8.362 13.609 -3.846 1.00 0.00 C ATOM 722 CG GLN A 51 -7.885 14.421 -5.040 1.00 0.00 C ATOM 723 CD GLN A 51 -9.030 14.960 -5.875 1.00 0.00 C ATOM 724 OE1 GLN A 51 -9.914 15.649 -5.366 1.00 0.00 O ATOM 725 NE2 GLN A 51 -9.020 14.646 -7.165 1.00 0.00 N ATOM 0 H GLN A 51 -9.204 11.780 -2.277 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.897 11.793 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.451 13.629 -3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.009 14.083 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.274 15.252 -4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.246 13.798 -5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.267 14.072 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.765 14.979 -7.777 1.00 0.00 H new ATOM 734 N ILE A 52 -5.494 12.108 -4.239 1.00 0.00 N ATOM 735 CA ILE A 52 -4.089 12.029 -3.858 1.00 0.00 C ATOM 736 C ILE A 52 -3.358 13.328 -4.183 1.00 0.00 C ATOM 737 O ILE A 52 -3.583 13.933 -5.232 1.00 0.00 O ATOM 738 CB ILE A 52 -3.378 10.861 -4.565 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.219 9.588 -4.466 1.00 0.00 C ATOM 740 CG2 ILE A 52 -1.998 10.639 -3.964 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.990 8.621 -5.607 1.00 0.00 C ATOM 0 H ILE A 52 -5.654 12.200 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.063 11.860 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.258 11.113 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.994 9.086 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.274 9.861 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.508 9.810 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.400 11.543 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.096 10.405 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.619 7.742 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.242 9.105 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.943 8.319 -5.623 1.00 0.00 H new ATOM 753 N MET A 53 -2.481 13.750 -3.279 1.00 0.00 N ATOM 754 CA MET A 53 -1.714 14.974 -3.471 1.00 0.00 C ATOM 755 C MET A 53 -0.320 14.665 -4.011 1.00 0.00 C ATOM 756 O MET A 53 0.188 15.371 -4.880 1.00 0.00 O ATOM 757 CB MET A 53 -1.603 15.745 -2.154 1.00 0.00 C ATOM 758 CG MET A 53 -2.901 16.415 -1.732 1.00 0.00 C ATOM 759 SD MET A 53 -3.475 17.634 -2.930 1.00 0.00 S ATOM 760 CE MET A 53 -5.056 16.934 -3.396 1.00 0.00 C ATOM 0 H MET A 53 -2.284 13.262 -2.405 1.00 0.00 H new ATOM 0 HA MET A 53 -2.239 15.590 -4.201 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.284 15.061 -1.368 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.826 16.504 -2.251 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.670 15.655 -1.596 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.758 16.900 -0.766 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.311 17.252 -4.407 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.997 15.846 -3.362 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.824 17.277 -2.703 1.00 0.00 H new ATOM 770 N GLU A 54 0.289 13.605 -3.488 1.00 0.00 N ATOM 771 CA GLU A 54 1.623 13.204 -3.918 1.00 0.00 C ATOM 772 C GLU A 54 1.873 11.730 -3.614 1.00 0.00 C ATOM 773 O GLU A 54 1.448 11.219 -2.577 1.00 0.00 O ATOM 774 CB GLU A 54 2.686 14.065 -3.229 1.00 0.00 C ATOM 775 CG GLU A 54 3.706 14.656 -4.188 1.00 0.00 C ATOM 776 CD GLU A 54 4.218 16.008 -3.734 1.00 0.00 C ATOM 777 OE1 GLU A 54 3.478 16.713 -3.017 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.359 16.363 -4.098 1.00 0.00 O ATOM 0 H GLU A 54 -0.120 13.010 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 54 1.688 13.351 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.193 14.875 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.206 13.460 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.546 13.969 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.256 14.755 -5.176 1.00 0.00 H new ATOM 785 N ILE A 55 2.564 11.053 -4.524 1.00 0.00 N ATOM 786 CA ILE A 55 2.870 9.638 -4.354 1.00 0.00 C ATOM 787 C ILE A 55 4.362 9.374 -4.526 1.00 0.00 C ATOM 788 O ILE A 55 4.979 9.839 -5.484 1.00 0.00 O ATOM 789 CB ILE A 55 2.088 8.768 -5.356 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.582 8.970 -5.173 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.456 7.302 -5.184 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.256 8.176 -6.151 1.00 0.00 C ATOM 0 H ILE A 55 2.923 11.461 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 55 2.570 9.370 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 55 2.356 9.074 -6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.306 8.687 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.349 10.029 -5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.895 6.700 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.524 7.172 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.213 6.982 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.313 8.367 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.008 8.475 -7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.052 7.113 -6.026 1.00 0.00 H new ATOM 804 N ARG A 56 4.936 8.624 -3.590 1.00 0.00 N ATOM 805 CA ARG A 56 6.356 8.298 -3.638 1.00 0.00 C ATOM 806 C ARG A 56 6.573 6.793 -3.498 1.00 0.00 C ATOM 807 O ARG A 56 6.419 6.231 -2.414 1.00 0.00 O ATOM 808 CB ARG A 56 7.108 9.037 -2.530 1.00 0.00 C ATOM 809 CG ARG A 56 8.037 10.124 -3.045 1.00 0.00 C ATOM 810 CD ARG A 56 9.216 9.536 -3.804 1.00 0.00 C ATOM 811 NE ARG A 56 8.958 9.455 -5.239 1.00 0.00 N ATOM 812 CZ ARG A 56 8.714 10.513 -6.004 1.00 0.00 C ATOM 813 NH1 ARG A 56 8.694 11.728 -5.472 1.00 0.00 N ATOM 814 NH2 ARG A 56 8.488 10.358 -7.301 1.00 0.00 N ATOM 0 H ARG A 56 4.440 8.231 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 56 6.744 8.616 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.385 9.482 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.689 8.317 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.483 10.799 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.402 10.719 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.101 10.148 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.435 8.540 -3.418 1.00 0.00 H new ATOM 0 HE ARG A 56 8.966 8.535 -5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.866 11.851 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.506 12.540 -6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.501 9.425 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.301 11.172 -7.887 1.00 0.00 H new ATOM 828 N VAL A 57 6.930 6.148 -4.604 1.00 0.00 N ATOM 829 CA VAL A 57 7.169 4.709 -4.605 1.00 0.00 C ATOM 830 C VAL A 57 8.654 4.399 -4.456 1.00 0.00 C ATOM 831 O VAL A 57 9.497 5.008 -5.115 1.00 0.00 O ATOM 832 CB VAL A 57 6.646 4.055 -5.898 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.247 4.555 -6.221 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.598 4.323 -7.053 1.00 0.00 C ATOM 0 H VAL A 57 7.060 6.598 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 57 6.628 4.297 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 57 6.593 2.977 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.894 4.082 -7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.573 4.306 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.269 5.636 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.213 3.854 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.685 5.398 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.579 3.910 -6.819 1.00 0.00 H new ATOM 844 N PHE A 58 8.969 3.445 -3.585 1.00 0.00 N ATOM 845 CA PHE A 58 10.354 3.053 -3.349 1.00 0.00 C ATOM 846 C PHE A 58 10.536 1.552 -3.558 1.00 0.00 C ATOM 847 O PHE A 58 10.515 0.761 -2.614 1.00 0.00 O ATOM 848 CB PHE A 58 10.780 3.437 -1.931 1.00 0.00 C ATOM 849 CG PHE A 58 10.998 4.912 -1.749 1.00 0.00 C ATOM 850 CD1 PHE A 58 12.199 5.498 -2.118 1.00 0.00 C ATOM 851 CD2 PHE A 58 10.004 5.713 -1.211 1.00 0.00 C ATOM 852 CE1 PHE A 58 12.403 6.855 -1.954 1.00 0.00 C ATOM 853 CE2 PHE A 58 10.203 7.070 -1.044 1.00 0.00 C ATOM 854 CZ PHE A 58 11.404 7.642 -1.415 1.00 0.00 C ATOM 0 H PHE A 58 8.284 2.930 -3.032 1.00 0.00 H new ATOM 0 HA PHE A 58 10.983 3.581 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.018 3.101 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.700 2.908 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.984 4.887 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.063 5.272 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.343 7.300 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.420 7.683 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.562 8.702 -1.284 1.00 0.00 H new ATOM 864 N PRO A 59 10.721 1.150 -4.824 1.00 0.00 N ATOM 865 CA PRO A 59 10.911 -0.257 -5.187 1.00 0.00 C ATOM 866 C PRO A 59 12.256 -0.801 -4.715 1.00 0.00 C ATOM 867 O PRO A 59 12.546 -1.986 -4.876 1.00 0.00 O ATOM 868 CB PRO A 59 10.849 -0.240 -6.717 1.00 0.00 C ATOM 869 CG PRO A 59 11.257 1.141 -7.097 1.00 0.00 C ATOM 870 CD PRO A 59 10.758 2.037 -5.998 1.00 0.00 C ATOM 0 HA PRO A 59 10.165 -0.902 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.519 -0.984 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.845 -0.469 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.340 1.214 -7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.827 1.425 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.423 2.886 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.772 2.442 -6.227 1.00 0.00 H new ATOM 878 N GLU A 60 13.071 0.073 -4.134 1.00 0.00 N ATOM 879 CA GLU A 60 14.385 -0.321 -3.640 1.00 0.00 C ATOM 880 C GLU A 60 14.317 -0.718 -2.167 1.00 0.00 C ATOM 881 O GLU A 60 15.164 -1.461 -1.672 1.00 0.00 O ATOM 882 CB GLU A 60 15.388 0.819 -3.825 1.00 0.00 C ATOM 883 CG GLU A 60 16.747 0.542 -3.205 1.00 0.00 C ATOM 884 CD GLU A 60 17.572 -0.435 -4.021 1.00 0.00 C ATOM 885 OE1 GLU A 60 18.090 -0.029 -5.082 1.00 0.00 O ATOM 886 OE2 GLU A 60 17.700 -1.602 -3.597 1.00 0.00 O ATOM 0 H GLU A 60 12.845 1.058 -3.994 1.00 0.00 H new ATOM 0 HA GLU A 60 14.716 -1.184 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.516 1.009 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.977 1.728 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.294 1.479 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.609 0.144 -2.199 1.00 0.00 H new ATOM 893 N LYS A 61 13.301 -0.216 -1.473 1.00 0.00 N ATOM 894 CA LYS A 61 13.119 -0.516 -0.057 1.00 0.00 C ATOM 895 C LYS A 61 11.916 -1.430 0.154 1.00 0.00 C ATOM 896 O LYS A 61 11.905 -2.256 1.066 1.00 0.00 O ATOM 897 CB LYS A 61 12.936 0.777 0.740 1.00 0.00 C ATOM 898 CG LYS A 61 14.201 1.611 0.844 1.00 0.00 C ATOM 899 CD LYS A 61 14.552 2.258 -0.485 1.00 0.00 C ATOM 900 CE LYS A 61 14.668 3.770 -0.355 1.00 0.00 C ATOM 901 NZ LYS A 61 15.568 4.163 0.765 1.00 0.00 N ATOM 0 H LYS A 61 12.591 0.401 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 61 14.012 -1.031 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.154 1.375 0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.590 0.530 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.068 2.383 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.027 0.981 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.494 1.850 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.789 2.013 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.046 4.187 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.679 4.198 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.050 5.053 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.008 4.294 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.276 3.417 0.920 1.00 0.00 H new ATOM 915 N GLY A 62 10.905 -1.278 -0.696 1.00 0.00 N ATOM 916 CA GLY A 62 9.713 -2.098 -0.585 1.00 0.00 C ATOM 917 C GLY A 62 8.568 -1.367 0.089 1.00 0.00 C ATOM 918 O GLY A 62 7.739 -1.983 0.760 1.00 0.00 O ATOM 0 H GLY A 62 10.890 -0.602 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.401 -2.417 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.947 -3.000 -0.020 1.00 0.00 H new ATOM 922 N TYR A 63 8.522 -0.051 -0.088 1.00 0.00 N ATOM 923 CA TYR A 63 7.472 0.764 0.511 1.00 0.00 C ATOM 924 C TYR A 63 7.163 1.978 -0.358 1.00 0.00 C ATOM 925 O TYR A 63 7.919 2.311 -1.271 1.00 0.00 O ATOM 926 CB TYR A 63 7.887 1.217 1.912 1.00 0.00 C ATOM 927 CG TYR A 63 8.880 2.357 1.911 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.495 3.640 1.541 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.204 2.151 2.278 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.399 4.684 1.537 1.00 0.00 C ATOM 931 CE2 TYR A 63 11.114 3.190 2.279 1.00 0.00 C ATOM 932 CZ TYR A 63 10.708 4.455 1.907 1.00 0.00 C ATOM 933 OH TYR A 63 11.611 5.493 1.906 1.00 0.00 O ATOM 0 H TYR A 63 9.199 0.474 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 63 6.571 0.155 0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.998 1.521 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.319 0.370 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.471 3.824 1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.527 1.162 2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.083 5.675 1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.139 3.013 2.570 1.00 0.00 H new ATOM 0 HH TYR A 63 11.422 6.090 1.152 1.00 0.00 H new ATOM 943 N SER A 64 6.046 2.638 -0.066 1.00 0.00 N ATOM 944 CA SER A 64 5.633 3.815 -0.822 1.00 0.00 C ATOM 945 C SER A 64 4.998 4.855 0.096 1.00 0.00 C ATOM 946 O SER A 64 4.766 4.597 1.277 1.00 0.00 O ATOM 947 CB SER A 64 4.647 3.419 -1.923 1.00 0.00 C ATOM 948 OG SER A 64 4.422 4.497 -2.816 1.00 0.00 O ATOM 0 H SER A 64 5.411 2.377 0.689 1.00 0.00 H new ATOM 0 HA SER A 64 6.520 4.253 -1.279 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.036 2.562 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.702 3.109 -1.476 1.00 0.00 H new ATOM 0 HG SER A 64 3.510 4.836 -2.696 1.00 0.00 H new ATOM 954 N PHE A 65 4.722 6.031 -0.457 1.00 0.00 N ATOM 955 CA PHE A 65 4.115 7.113 0.312 1.00 0.00 C ATOM 956 C PHE A 65 2.916 7.699 -0.429 1.00 0.00 C ATOM 957 O PHE A 65 2.994 7.996 -1.621 1.00 0.00 O ATOM 958 CB PHE A 65 5.144 8.210 0.590 1.00 0.00 C ATOM 959 CG PHE A 65 6.000 7.937 1.793 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.423 7.681 3.026 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.382 7.939 1.692 1.00 0.00 C ATOM 962 CE1 PHE A 65 6.208 7.429 4.136 1.00 0.00 C ATOM 963 CE2 PHE A 65 8.172 7.689 2.798 1.00 0.00 C ATOM 964 CZ PHE A 65 7.583 7.434 4.022 1.00 0.00 C ATOM 0 H PHE A 65 4.908 6.260 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 65 3.769 6.702 1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.785 8.325 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.624 9.158 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.347 7.678 3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.847 8.138 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.745 7.228 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.248 7.693 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.198 7.239 4.888 1.00 0.00 H new ATOM 974 N VAL A 66 1.808 7.863 0.287 1.00 0.00 N ATOM 975 CA VAL A 66 0.593 8.414 -0.300 1.00 0.00 C ATOM 976 C VAL A 66 -0.088 9.387 0.657 1.00 0.00 C ATOM 977 O VAL A 66 -0.721 8.976 1.630 1.00 0.00 O ATOM 978 CB VAL A 66 -0.403 7.302 -0.678 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.600 7.884 -1.414 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.285 6.237 -1.520 1.00 0.00 C ATOM 0 H VAL A 66 1.727 7.622 1.275 1.00 0.00 H new ATOM 0 HA VAL A 66 0.892 8.946 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.764 6.833 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.293 7.083 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.105 8.607 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.262 8.379 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.432 5.458 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.674 6.690 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.107 5.799 -0.953 1.00 0.00 H new ATOM 990 N ARG A 67 0.046 10.678 0.374 1.00 0.00 N ATOM 991 CA ARG A 67 -0.555 11.710 1.210 1.00 0.00 C ATOM 992 C ARG A 67 -1.937 12.095 0.689 1.00 0.00 C ATOM 993 O ARG A 67 -2.100 12.418 -0.487 1.00 0.00 O ATOM 994 CB ARG A 67 0.346 12.945 1.261 1.00 0.00 C ATOM 995 CG ARG A 67 1.276 12.973 2.461 1.00 0.00 C ATOM 996 CD ARG A 67 2.649 12.420 2.115 1.00 0.00 C ATOM 997 NE ARG A 67 3.555 13.463 1.640 1.00 0.00 N ATOM 998 CZ ARG A 67 4.877 13.332 1.612 1.00 0.00 C ATOM 999 NH1 ARG A 67 5.444 12.208 2.027 1.00 0.00 N ATOM 1000 NH2 ARG A 67 5.634 14.326 1.166 1.00 0.00 N ATOM 0 H ARG A 67 0.566 11.035 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.665 11.308 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.942 12.987 0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.278 13.839 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.375 13.997 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.842 12.390 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.078 11.939 2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.548 11.651 1.349 1.00 0.00 H new ATOM 0 HE ARG A 67 3.151 14.340 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.865 11.441 2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.459 12.110 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.201 15.192 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.649 14.224 1.145 1.00 0.00 H new ATOM 1014 N PHE A 68 -2.928 12.059 1.573 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.296 12.402 1.202 1.00 0.00 C ATOM 1016 C PHE A 68 -4.650 13.810 1.673 1.00 0.00 C ATOM 1017 O PHE A 68 -4.047 14.333 2.610 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.278 11.391 1.799 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.321 10.087 1.054 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.414 9.081 1.340 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.271 9.869 0.069 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.452 7.880 0.656 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.314 8.671 -0.619 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.403 7.675 -0.323 1.00 0.00 C ATOM 0 H PHE A 68 -2.810 11.796 2.551 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.370 12.371 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.004 11.199 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.276 11.828 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.668 9.236 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.986 10.644 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.738 7.103 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.058 8.514 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.435 6.737 -0.857 1.00 0.00 H new ATOM 1034 N SER A 69 -5.632 14.418 1.015 1.00 0.00 N ATOM 1035 CA SER A 69 -6.063 15.768 1.361 1.00 0.00 C ATOM 1036 C SER A 69 -7.207 15.729 2.370 1.00 0.00 C ATOM 1037 O SER A 69 -7.746 16.767 2.757 1.00 0.00 O ATOM 1038 CB SER A 69 -6.501 16.525 0.106 1.00 0.00 C ATOM 1039 OG SER A 69 -7.316 15.712 -0.722 1.00 0.00 O ATOM 0 H SER A 69 -6.144 13.997 0.240 1.00 0.00 H new ATOM 0 HA SER A 69 -5.218 16.288 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.049 17.423 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.623 16.851 -0.451 1.00 0.00 H new ATOM 0 HG SER A 69 -7.584 16.219 -1.516 1.00 0.00 H new ATOM 1045 N THR A 70 -7.574 14.524 2.793 1.00 0.00 N ATOM 1046 CA THR A 70 -8.654 14.347 3.756 1.00 0.00 C ATOM 1047 C THR A 70 -8.410 13.130 4.641 1.00 0.00 C ATOM 1048 O THR A 70 -8.492 11.991 4.182 1.00 0.00 O ATOM 1049 CB THR A 70 -10.015 14.190 3.051 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.970 13.086 2.141 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.385 15.460 2.299 1.00 0.00 C ATOM 0 H THR A 70 -7.139 13.655 2.484 1.00 0.00 H new ATOM 0 HA THR A 70 -8.674 15.244 4.375 1.00 0.00 H new ATOM 0 HB THR A 70 -10.774 14.003 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.286 12.448 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.349 15.325 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.447 16.293 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.624 15.673 1.548 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.111 13.379 5.912 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.856 12.303 6.862 1.00 0.00 C ATOM 1061 C HIS A 71 -8.828 11.146 6.647 1.00 0.00 C ATOM 1062 O HIS A 71 -8.452 9.979 6.752 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.970 12.821 8.295 1.00 0.00 C ATOM 1064 CG HIS A 71 -7.295 11.945 9.305 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.926 11.794 9.375 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.808 11.173 10.292 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.626 10.965 10.358 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.751 10.574 10.932 1.00 0.00 N ATOM 0 H HIS A 71 -8.039 14.317 6.307 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.842 11.938 6.696 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.538 13.820 8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.024 12.916 8.555 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.250 12.251 8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.854 11.051 10.531 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.631 10.658 10.644 1.00 0.00 H new ATOM 1076 N GLU A 72 -10.079 11.480 6.345 1.00 0.00 N ATOM 1077 CA GLU A 72 -11.104 10.469 6.118 1.00 0.00 C ATOM 1078 C GLU A 72 -10.669 9.487 5.033 1.00 0.00 C ATOM 1079 O GLU A 72 -10.522 8.291 5.287 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.426 11.131 5.720 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.253 11.599 6.906 1.00 0.00 C ATOM 1082 CD GLU A 72 -14.697 11.875 6.537 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -15.488 10.911 6.480 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -15.035 13.055 6.306 1.00 0.00 O ATOM 0 H GLU A 72 -10.406 12.442 6.252 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.246 9.918 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.216 11.984 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.014 10.425 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.220 10.841 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.808 12.504 7.320 1.00 0.00 H new ATOM 1091 N SER A 73 -10.465 10.001 3.824 1.00 0.00 N ATOM 1092 CA SER A 73 -10.051 9.169 2.701 1.00 0.00 C ATOM 1093 C SER A 73 -8.902 8.249 3.100 1.00 0.00 C ATOM 1094 O SER A 73 -8.946 7.043 2.860 1.00 0.00 O ATOM 1095 CB SER A 73 -9.630 10.046 1.519 1.00 0.00 C ATOM 1096 OG SER A 73 -8.370 10.650 1.756 1.00 0.00 O ATOM 0 H SER A 73 -10.580 10.989 3.598 1.00 0.00 H new ATOM 0 HA SER A 73 -10.900 8.553 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.583 9.442 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.381 10.818 1.349 1.00 0.00 H new ATOM 0 HG SER A 73 -7.660 10.077 1.398 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.874 8.827 3.712 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.714 8.059 4.147 1.00 0.00 C ATOM 1104 C ALA A 74 -7.131 6.879 5.017 1.00 0.00 C ATOM 1105 O ALA A 74 -6.702 5.747 4.793 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.741 8.954 4.900 1.00 0.00 C ATOM 0 H ALA A 74 -7.821 9.825 3.918 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.217 7.665 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.879 8.367 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.409 9.761 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.237 9.376 5.774 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.970 7.149 6.011 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.447 6.109 6.914 1.00 0.00 C ATOM 1114 C ALA A 75 -9.247 5.053 6.160 1.00 0.00 C ATOM 1115 O ALA A 75 -9.244 3.877 6.528 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.289 6.719 8.025 1.00 0.00 C ATOM 0 H ALA A 75 -8.334 8.080 6.212 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.579 5.622 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.638 5.930 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.686 7.431 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.146 7.233 7.591 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.934 5.479 5.105 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.739 4.568 4.298 1.00 0.00 C ATOM 1124 C HIS A 76 -9.853 3.591 3.532 1.00 0.00 C ATOM 1125 O HIS A 76 -10.220 2.435 3.326 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.614 5.355 3.322 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.845 5.932 3.951 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.707 5.192 4.732 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.354 7.186 3.913 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -14.696 5.966 5.146 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.505 7.180 4.662 1.00 0.00 N ATOM 0 H HIS A 76 -9.950 6.449 4.789 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.380 3.998 4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.024 6.163 2.889 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.908 4.700 2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.933 8.033 3.391 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.520 5.658 5.773 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.114 7.983 4.819 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.684 4.065 3.112 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.745 3.233 2.370 1.00 0.00 C ATOM 1141 C ALA A 77 -6.913 2.370 3.312 1.00 0.00 C ATOM 1142 O ALA A 77 -6.582 1.227 2.992 1.00 0.00 O ATOM 1143 CB ALA A 77 -6.840 4.100 1.508 1.00 0.00 C ATOM 0 H ALA A 77 -8.365 5.020 3.273 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.318 2.569 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.144 3.466 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.446 4.669 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.281 4.787 2.144 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.578 2.922 4.473 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.784 2.201 5.460 1.00 0.00 C ATOM 1151 C ILE A 78 -6.565 1.028 6.042 1.00 0.00 C ATOM 1152 O ILE A 78 -6.148 -0.125 5.932 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.338 3.126 6.608 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.241 4.079 6.128 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.853 2.305 7.793 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -4.001 5.244 7.063 1.00 0.00 C ATOM 0 H ILE A 78 -6.844 3.866 4.753 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.901 1.826 4.942 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.194 3.720 6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.312 3.521 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.509 4.463 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.541 2.973 8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.661 1.665 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.009 1.688 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.211 5.877 6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.917 5.826 7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.702 4.869 8.042 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.703 1.330 6.660 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.545 0.300 7.257 1.00 0.00 C ATOM 1170 C VAL A 79 -8.716 -0.884 6.314 1.00 0.00 C ATOM 1171 O VAL A 79 -8.809 -2.032 6.751 1.00 0.00 O ATOM 1172 CB VAL A 79 -9.933 0.855 7.626 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.836 1.783 8.826 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.553 1.571 6.436 1.00 0.00 C ATOM 0 H VAL A 79 -8.063 2.279 6.760 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.043 -0.033 8.165 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.579 0.020 7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.827 2.165 9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.437 1.234 9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.174 2.616 8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.534 1.957 6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.910 2.398 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.660 0.872 5.606 1.00 0.00 H new ATOM 1184 N SER A 80 -8.757 -0.600 5.016 1.00 0.00 N ATOM 1185 CA SER A 80 -8.921 -1.642 4.009 1.00 0.00 C ATOM 1186 C SER A 80 -7.567 -2.190 3.570 1.00 0.00 C ATOM 1187 O SER A 80 -7.227 -3.339 3.854 1.00 0.00 O ATOM 1188 CB SER A 80 -9.680 -1.096 2.798 1.00 0.00 C ATOM 1189 OG SER A 80 -11.075 -1.302 2.936 1.00 0.00 O ATOM 0 H SER A 80 -8.679 0.344 4.637 1.00 0.00 H new ATOM 0 HA SER A 80 -9.496 -2.455 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.476 -0.031 2.687 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.325 -1.585 1.891 1.00 0.00 H new ATOM 0 HG SER A 80 -11.538 -0.943 2.150 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.797 -1.359 2.874 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.479 -1.759 2.395 1.00 0.00 C ATOM 1197 C VAL A 81 -4.701 -2.497 3.478 1.00 0.00 C ATOM 1198 O VAL A 81 -3.821 -3.305 3.184 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.658 -0.542 1.929 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.216 -0.942 1.659 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.287 0.083 0.692 1.00 0.00 C ATOM 0 H VAL A 81 -7.063 -0.405 2.629 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.640 -2.426 1.548 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.660 0.202 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.652 -0.069 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.772 -1.339 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.190 -1.705 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.694 0.941 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.317 -0.652 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.301 0.408 0.924 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.032 -2.214 4.734 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.364 -2.852 5.863 1.00 0.00 C ATOM 1213 C ASN A 82 -4.714 -4.335 5.935 1.00 0.00 C ATOM 1214 O ASN A 82 -5.591 -4.741 6.695 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.756 -2.160 7.171 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.385 -2.980 8.391 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -5.380 -3.307 9.209 1.00 0.00 O flip ATOM 1218 ND2 ASN A 82 -3.219 -3.316 8.597 1.00 0.00 N flip ATOM 0 H ASN A 82 -5.758 -1.547 4.996 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.288 -2.758 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.265 -1.188 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.830 -1.975 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.486 -3.043 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.985 -3.868 9.423 1.00 0.00 H new ATOM 1225 N GLY A 83 -4.020 -5.141 5.136 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.271 -6.570 5.125 1.00 0.00 C ATOM 1227 C GLY A 83 -4.626 -7.086 3.744 1.00 0.00 C ATOM 1228 O GLY A 83 -5.037 -8.237 3.589 1.00 0.00 O ATOM 0 H GLY A 83 -3.289 -4.829 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.387 -7.094 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.084 -6.798 5.815 1.00 0.00 H new ATOM 1232 N THR A 84 -4.470 -6.231 2.738 1.00 0.00 N ATOM 1233 CA THR A 84 -4.780 -6.606 1.363 1.00 0.00 C ATOM 1234 C THR A 84 -3.550 -7.158 0.653 1.00 0.00 C ATOM 1235 O THR A 84 -2.417 -6.923 1.076 1.00 0.00 O ATOM 1236 CB THR A 84 -5.325 -5.407 0.564 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.354 -4.355 0.536 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.620 -4.892 1.175 1.00 0.00 C ATOM 0 H THR A 84 -4.131 -5.275 2.849 1.00 0.00 H new ATOM 0 HA THR A 84 -5.546 -7.380 1.411 1.00 0.00 H new ATOM 0 HB THR A 84 -5.529 -5.740 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.226 -4.004 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.985 -4.046 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.367 -5.686 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.437 -4.575 2.202 1.00 0.00 H new ATOM 1246 N THR A 85 -3.778 -7.895 -0.430 1.00 0.00 N ATOM 1247 CA THR A 85 -2.688 -8.482 -1.199 1.00 0.00 C ATOM 1248 C THR A 85 -2.691 -7.971 -2.635 1.00 0.00 C ATOM 1249 O THR A 85 -3.621 -8.236 -3.397 1.00 0.00 O ATOM 1250 CB THR A 85 -2.775 -10.020 -1.214 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.968 -10.512 0.117 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.513 -10.628 -1.806 1.00 0.00 C ATOM 0 H THR A 85 -4.709 -8.099 -0.794 1.00 0.00 H new ATOM 0 HA THR A 85 -1.760 -8.183 -0.711 1.00 0.00 H new ATOM 0 HB THR A 85 -3.623 -10.308 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.024 -11.490 0.099 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.598 -11.715 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.384 -10.274 -2.829 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.651 -10.331 -1.208 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.644 -7.237 -2.998 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.526 -6.690 -4.344 1.00 0.00 C ATOM 1262 C ILE A 86 -0.464 -7.433 -5.148 1.00 0.00 C ATOM 1263 O ILE A 86 0.682 -7.552 -4.719 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.174 -5.191 -4.314 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.356 -4.378 -3.782 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.778 -4.712 -5.702 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -1.963 -3.019 -3.247 1.00 0.00 C ATOM 0 H ILE A 86 -0.866 -7.008 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.497 -6.818 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.326 -5.046 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.086 -4.248 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.848 -4.943 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.532 -3.651 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.090 -5.274 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.608 -4.868 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.851 -2.499 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.256 -3.142 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.498 -2.436 -4.042 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.856 -7.930 -6.318 1.00 0.00 N ATOM 1280 CA GLU A 87 0.064 -8.661 -7.182 1.00 0.00 C ATOM 1281 C GLU A 87 0.704 -9.826 -6.434 1.00 0.00 C ATOM 1282 O GLU A 87 1.783 -10.293 -6.797 1.00 0.00 O ATOM 1283 CB GLU A 87 1.150 -7.725 -7.717 1.00 0.00 C ATOM 1284 CG GLU A 87 0.600 -6.502 -8.432 1.00 0.00 C ATOM 1285 CD GLU A 87 0.316 -6.762 -9.899 1.00 0.00 C ATOM 1286 OE1 GLU A 87 1.130 -7.452 -10.547 1.00 0.00 O ATOM 1287 OE2 GLU A 87 -0.720 -6.275 -10.399 1.00 0.00 O ATOM 0 H GLU A 87 -1.802 -7.840 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.506 -9.060 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.778 -7.399 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.790 -8.279 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.318 -6.180 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.313 -5.683 -8.344 1.00 0.00 H new ATOM 1294 N GLY A 88 0.031 -10.290 -5.386 1.00 0.00 N ATOM 1295 CA GLY A 88 0.550 -11.396 -4.601 1.00 0.00 C ATOM 1296 C GLY A 88 1.485 -10.937 -3.500 1.00 0.00 C ATOM 1297 O GLY A 88 2.235 -11.737 -2.940 1.00 0.00 O ATOM 0 H GLY A 88 -0.864 -9.920 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.281 -11.947 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.079 -12.087 -5.258 1.00 0.00 H new ATOM 1301 N HIS A 89 1.444 -9.645 -3.190 1.00 0.00 N ATOM 1302 CA HIS A 89 2.296 -9.081 -2.150 1.00 0.00 C ATOM 1303 C HIS A 89 1.460 -8.384 -1.082 1.00 0.00 C ATOM 1304 O HIS A 89 0.698 -7.463 -1.378 1.00 0.00 O ATOM 1305 CB HIS A 89 3.294 -8.095 -2.758 1.00 0.00 C ATOM 1306 CG HIS A 89 4.282 -8.735 -3.684 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.402 -9.405 -3.243 1.00 0.00 N ATOM 1308 CD2 HIS A 89 4.310 -8.806 -5.036 1.00 0.00 C ATOM 1309 CE1 HIS A 89 6.079 -9.859 -4.283 1.00 0.00 C ATOM 1310 NE2 HIS A 89 5.436 -9.509 -5.383 1.00 0.00 N ATOM 0 H HIS A 89 0.830 -8.969 -3.644 1.00 0.00 H new ATOM 0 HA HIS A 89 2.844 -9.898 -1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.746 -7.325 -3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.834 -7.595 -1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.582 -8.387 -5.715 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.001 -10.420 -4.241 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.729 -9.726 -6.336 1.00 0.00 H new ATOM 1318 N VAL A 90 1.607 -8.829 0.162 1.00 0.00 N ATOM 1319 CA VAL A 90 0.865 -8.249 1.275 1.00 0.00 C ATOM 1320 C VAL A 90 1.298 -6.810 1.532 1.00 0.00 C ATOM 1321 O VAL A 90 2.435 -6.553 1.930 1.00 0.00 O ATOM 1322 CB VAL A 90 1.055 -9.068 2.564 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.532 -9.323 2.823 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.415 -8.356 3.746 1.00 0.00 C ATOM 0 H VAL A 90 2.234 -9.590 0.424 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.189 -8.265 0.996 1.00 0.00 H new ATOM 0 HB VAL A 90 0.561 -10.031 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.646 -9.903 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.958 -9.877 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.052 -8.371 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.559 -8.949 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.879 -7.378 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.652 -8.230 3.561 1.00 0.00 H new ATOM 1334 N VAL A 91 0.384 -5.872 1.301 1.00 0.00 N ATOM 1335 CA VAL A 91 0.670 -4.458 1.509 1.00 0.00 C ATOM 1336 C VAL A 91 0.370 -4.041 2.944 1.00 0.00 C ATOM 1337 O VAL A 91 -0.528 -4.586 3.586 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.147 -3.573 0.548 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.289 -3.804 -0.891 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.635 -3.841 0.713 1.00 0.00 C ATOM 0 H VAL A 91 -0.561 -6.067 0.970 1.00 0.00 H new ATOM 0 HA VAL A 91 1.732 -4.317 1.308 1.00 0.00 H new ATOM 0 HB VAL A 91 0.040 -2.528 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.299 -3.171 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.346 -3.557 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.133 -4.850 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.197 -3.208 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.843 -4.888 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.933 -3.620 1.738 1.00 0.00 H new ATOM 1350 N LYS A 92 1.128 -3.071 3.444 1.00 0.00 N ATOM 1351 CA LYS A 92 0.944 -2.579 4.804 1.00 0.00 C ATOM 1352 C LYS A 92 0.627 -1.087 4.804 1.00 0.00 C ATOM 1353 O LYS A 92 1.473 -0.264 4.451 1.00 0.00 O ATOM 1354 CB LYS A 92 2.198 -2.846 5.639 1.00 0.00 C ATOM 1355 CG LYS A 92 2.060 -4.026 6.584 1.00 0.00 C ATOM 1356 CD LYS A 92 3.404 -4.447 7.152 1.00 0.00 C ATOM 1357 CE LYS A 92 3.264 -5.622 8.108 1.00 0.00 C ATOM 1358 NZ LYS A 92 4.585 -6.204 8.470 1.00 0.00 N ATOM 0 H LYS A 92 1.876 -2.610 2.927 1.00 0.00 H new ATOM 0 HA LYS A 92 0.102 -3.111 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.039 -3.024 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.435 -1.954 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.386 -3.763 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.609 -4.866 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.075 -4.718 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.859 -3.605 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.751 -5.295 9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.642 -6.391 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.446 -7.002 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.064 -6.540 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.170 -5.478 8.931 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.592 -0.745 5.204 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.019 0.649 5.252 1.00 0.00 C ATOM 1374 C CYS A 93 -0.858 1.220 6.656 1.00 0.00 C ATOM 1375 O CYS A 93 -1.459 0.725 7.611 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.475 0.774 4.800 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.706 1.798 3.328 1.00 0.00 S ATOM 0 H CYS A 93 -1.303 -1.414 5.500 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.386 1.220 4.574 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.869 -0.223 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.063 1.193 5.617 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.397 2.855 3.639 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.043 2.262 6.777 1.00 0.00 N ATOM 1384 CA TYR A 94 0.199 2.897 8.066 1.00 0.00 C ATOM 1385 C TYR A 94 0.058 4.413 7.962 1.00 0.00 C ATOM 1386 O TYR A 94 -0.179 4.952 6.881 1.00 0.00 O ATOM 1387 CB TYR A 94 1.594 2.538 8.581 1.00 0.00 C ATOM 1388 CG TYR A 94 1.803 1.053 8.776 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.854 0.278 9.431 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.950 0.426 8.305 1.00 0.00 C ATOM 1391 CE1 TYR A 94 1.043 -1.079 9.612 1.00 0.00 C ATOM 1392 CE2 TYR A 94 3.146 -0.930 8.481 1.00 0.00 C ATOM 1393 CZ TYR A 94 2.189 -1.678 9.135 1.00 0.00 C ATOM 1394 OH TYR A 94 2.379 -3.029 9.312 1.00 0.00 O ATOM 0 H TYR A 94 0.461 2.685 5.997 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.547 2.528 8.770 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.339 2.912 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.765 3.048 9.529 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.046 0.744 9.805 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.701 1.009 7.793 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.296 -1.667 10.125 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.043 -1.402 8.109 1.00 0.00 H new ATOM 0 HH TYR A 94 1.531 -3.448 9.568 1.00 0.00 H new ATOM 1404 N TRP A 95 0.206 5.093 9.093 1.00 0.00 N ATOM 1405 CA TRP A 95 0.096 6.547 9.131 1.00 0.00 C ATOM 1406 C TRP A 95 1.452 7.202 8.897 1.00 0.00 C ATOM 1407 O TRP A 95 2.157 7.547 9.844 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.479 7.001 10.473 1.00 0.00 C ATOM 1409 CG TRP A 95 -1.976 6.948 10.527 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.740 6.227 11.399 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.890 7.643 9.670 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.073 6.431 11.137 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.191 7.297 10.082 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.734 8.525 8.597 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.328 7.801 9.456 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.864 9.025 7.977 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.147 8.662 8.408 1.00 0.00 C ATOM 0 H TRP A 95 0.402 4.661 9.996 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.578 6.856 8.332 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.072 6.373 11.266 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.151 8.021 10.674 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.353 5.590 12.180 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.849 6.007 11.645 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.749 8.811 8.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.318 7.522 9.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.756 9.707 7.146 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.010 9.070 7.903 1.00 0.00 H new ATOM 1428 N GLY A 96 1.813 7.370 7.628 1.00 0.00 N ATOM 1429 CA GLY A 96 3.085 7.984 7.294 1.00 0.00 C ATOM 1430 C GLY A 96 3.459 9.101 8.248 1.00 0.00 C ATOM 1431 O GLY A 96 2.799 10.139 8.290 1.00 0.00 O ATOM 0 H GLY A 96 1.247 7.092 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.866 7.224 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.039 8.378 6.279 1.00 0.00 H new ATOM 1435 N LYS A 97 4.521 8.889 9.019 1.00 0.00 N ATOM 1436 CA LYS A 97 4.981 9.885 9.978 1.00 0.00 C ATOM 1437 C LYS A 97 3.980 10.048 11.116 1.00 0.00 C ATOM 1438 O LYS A 97 2.846 10.474 10.901 1.00 0.00 O ATOM 1439 CB LYS A 97 5.202 11.230 9.282 1.00 0.00 C ATOM 1440 CG LYS A 97 6.582 11.818 9.517 1.00 0.00 C ATOM 1441 CD LYS A 97 7.140 12.454 8.255 1.00 0.00 C ATOM 1442 CE LYS A 97 8.412 13.237 8.541 1.00 0.00 C ATOM 1443 NZ LYS A 97 9.229 13.436 7.313 1.00 0.00 N ATOM 0 H LYS A 97 5.079 8.035 8.998 1.00 0.00 H new ATOM 0 HA LYS A 97 5.926 9.540 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.048 11.104 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.451 11.938 9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.530 12.565 10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.258 11.035 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.347 11.679 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.393 13.118 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.153 14.207 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.003 12.709 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.087 13.974 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.497 12.511 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.674 13.963 6.608 1.00 0.00 H new ATOM 1457 N GLU A 98 4.408 9.708 12.329 1.00 0.00 N ATOM 1458 CA GLU A 98 3.548 9.818 13.500 1.00 0.00 C ATOM 1459 C GLU A 98 4.166 10.743 14.545 1.00 0.00 C ATOM 1460 O GLU A 98 4.732 10.286 15.538 1.00 0.00 O ATOM 1461 CB GLU A 98 3.301 8.437 14.110 1.00 0.00 C ATOM 1462 CG GLU A 98 1.864 7.959 13.975 1.00 0.00 C ATOM 1463 CD GLU A 98 1.429 7.081 15.132 1.00 0.00 C ATOM 1464 OE1 GLU A 98 2.303 6.442 15.753 1.00 0.00 O ATOM 1465 OE2 GLU A 98 0.213 7.033 15.414 1.00 0.00 O ATOM 0 H GLU A 98 5.345 9.355 12.525 1.00 0.00 H new ATOM 0 HA GLU A 98 2.596 10.243 13.181 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.962 7.714 13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.569 8.463 15.166 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.202 8.823 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.756 7.405 13.043 1.00 0.00 H new ATOM 1472 N SER A 99 4.056 12.048 14.312 1.00 0.00 N ATOM 1473 CA SER A 99 4.607 13.038 15.228 1.00 0.00 C ATOM 1474 C SER A 99 4.412 14.449 14.684 1.00 0.00 C ATOM 1475 O SER A 99 4.535 14.704 13.486 1.00 0.00 O ATOM 1476 CB SER A 99 6.095 12.772 15.465 1.00 0.00 C ATOM 1477 OG SER A 99 6.794 12.657 14.238 1.00 0.00 O ATOM 0 H SER A 99 3.590 12.443 13.495 1.00 0.00 H new ATOM 0 HA SER A 99 4.075 12.956 16.176 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.523 13.582 16.056 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.216 11.856 16.044 1.00 0.00 H new ATOM 0 HG SER A 99 7.743 12.489 14.417 1.00 0.00 H new ATOM 1483 N PRO A 100 4.098 15.392 15.586 1.00 0.00 N ATOM 1484 CA PRO A 100 3.878 16.795 15.221 1.00 0.00 C ATOM 1485 C PRO A 100 5.168 17.491 14.796 1.00 0.00 C ATOM 1486 O PRO A 100 6.071 17.693 15.608 1.00 0.00 O ATOM 1487 CB PRO A 100 3.335 17.416 16.511 1.00 0.00 C ATOM 1488 CG PRO A 100 3.866 16.551 17.601 1.00 0.00 C ATOM 1489 CD PRO A 100 3.933 15.161 17.031 1.00 0.00 C ATOM 0 HA PRO A 100 3.206 16.895 14.369 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.670 18.447 16.625 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.245 17.432 16.514 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.851 16.889 17.922 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.217 16.583 18.476 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.768 14.597 17.446 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.027 14.594 17.246 1.00 0.00 H new ATOM 1497 N ASP A 101 5.244 17.856 13.521 1.00 0.00 N ATOM 1498 CA ASP A 101 6.422 18.532 12.989 1.00 0.00 C ATOM 1499 C ASP A 101 6.971 19.540 13.994 1.00 0.00 C ATOM 1500 O ASP A 101 8.151 19.504 14.343 1.00 0.00 O ATOM 1501 CB ASP A 101 6.082 19.237 11.676 1.00 0.00 C ATOM 1502 CG ASP A 101 5.461 18.300 10.659 1.00 0.00 C ATOM 1503 OD1 ASP A 101 4.417 17.689 10.974 1.00 0.00 O ATOM 1504 OD2 ASP A 101 6.019 18.176 9.548 1.00 0.00 O ATOM 0 H ASP A 101 4.505 17.695 12.837 1.00 0.00 H new ATOM 0 HA ASP A 101 7.188 17.780 12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.394 20.059 11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.988 19.674 11.257 1.00 0.00 H new ATOM 1509 N MET A 102 6.107 20.438 14.455 1.00 0.00 N ATOM 1510 CA MET A 102 6.506 21.456 15.422 1.00 0.00 C ATOM 1511 C MET A 102 7.702 22.252 14.909 1.00 0.00 C ATOM 1512 O MET A 102 8.330 21.881 13.916 1.00 0.00 O ATOM 1513 CB MET A 102 6.846 20.809 16.764 1.00 0.00 C ATOM 1514 CG MET A 102 6.369 21.613 17.964 1.00 0.00 C ATOM 1515 SD MET A 102 6.733 20.801 19.532 1.00 0.00 S ATOM 1516 CE MET A 102 5.567 21.623 20.617 1.00 0.00 C ATOM 0 H MET A 102 5.127 20.482 14.176 1.00 0.00 H new ATOM 0 HA MET A 102 5.669 22.140 15.560 1.00 0.00 H new ATOM 0 HB2 MET A 102 6.400 19.815 16.802 1.00 0.00 H new ATOM 0 HB3 MET A 102 7.926 20.677 16.831 1.00 0.00 H new ATOM 0 HG2 MET A 102 6.841 22.595 17.950 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.294 21.775 17.884 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.670 21.228 21.628 1.00 0.00 H new ATOM 0 HE2 MET A 102 5.769 22.694 20.624 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.552 21.447 20.260 1.00 0.00 H new ATOM 1526 N THR A 103 8.015 23.349 15.592 1.00 0.00 N ATOM 1527 CA THR A 103 9.135 24.197 15.205 1.00 0.00 C ATOM 1528 C THR A 103 9.065 24.558 13.726 1.00 0.00 C ATOM 1529 O THR A 103 8.097 24.231 13.042 1.00 0.00 O ATOM 1530 CB THR A 103 10.484 23.512 15.494 1.00 0.00 C ATOM 1531 OG1 THR A 103 10.611 22.327 14.699 1.00 0.00 O ATOM 1532 CG2 THR A 103 10.606 23.156 16.967 1.00 0.00 C ATOM 0 H THR A 103 7.508 23.671 16.416 1.00 0.00 H new ATOM 0 HA THR A 103 9.064 25.107 15.801 1.00 0.00 H new ATOM 0 HB THR A 103 11.283 24.209 15.238 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.942 22.340 13.983 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.567 22.673 17.146 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.538 24.063 17.567 1.00 0.00 H new ATOM 0 HG23 THR A 103 9.801 22.476 17.245 1.00 0.00 H new ATOM 1540 N SER A 104 10.102 25.234 13.239 1.00 0.00 N ATOM 1541 CA SER A 104 10.156 25.643 11.840 1.00 0.00 C ATOM 1542 C SER A 104 8.875 26.363 11.433 1.00 0.00 C ATOM 1543 O SER A 104 7.909 25.736 10.994 1.00 0.00 O ATOM 1544 CB SER A 104 10.380 24.427 10.940 1.00 0.00 C ATOM 1545 OG SER A 104 11.634 23.821 11.203 1.00 0.00 O ATOM 0 H SER A 104 10.914 25.509 13.791 1.00 0.00 H new ATOM 0 HA SER A 104 10.991 26.333 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.582 23.702 11.098 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.332 24.731 9.894 1.00 0.00 H new ATOM 0 HG SER A 104 11.752 23.045 10.616 1.00 0.00 H new ATOM 1551 N GLY A 105 8.871 27.684 11.582 1.00 0.00 N ATOM 1552 CA GLY A 105 7.703 28.468 11.226 1.00 0.00 C ATOM 1553 C GLY A 105 8.011 29.527 10.186 1.00 0.00 C ATOM 1554 O GLY A 105 8.265 30.688 10.507 1.00 0.00 O ATOM 0 H GLY A 105 9.656 28.225 11.943 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.926 27.805 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.304 28.947 12.120 1.00 0.00 H new ATOM 1558 N PRO A 106 7.992 29.127 8.905 1.00 0.00 N ATOM 1559 CA PRO A 106 8.269 30.035 7.789 1.00 0.00 C ATOM 1560 C PRO A 106 7.160 31.062 7.587 1.00 0.00 C ATOM 1561 O PRO A 106 5.999 30.705 7.388 1.00 0.00 O ATOM 1562 CB PRO A 106 8.356 29.097 6.582 1.00 0.00 C ATOM 1563 CG PRO A 106 7.535 27.913 6.963 1.00 0.00 C ATOM 1564 CD PRO A 106 7.697 27.758 8.449 1.00 0.00 C ATOM 0 HA PRO A 106 9.172 30.622 7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 106 7.969 29.574 5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 106 9.388 28.813 6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.488 28.062 6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 106 7.872 27.019 6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 106 6.792 27.366 8.913 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.505 27.069 8.695 1.00 0.00 H new ATOM 1572 N SER A 107 7.526 32.339 7.638 1.00 0.00 N ATOM 1573 CA SER A 107 6.561 33.418 7.463 1.00 0.00 C ATOM 1574 C SER A 107 7.073 34.447 6.461 1.00 0.00 C ATOM 1575 O SER A 107 7.976 35.229 6.763 1.00 0.00 O ATOM 1576 CB SER A 107 6.273 34.094 8.805 1.00 0.00 C ATOM 1577 OG SER A 107 5.141 33.519 9.434 1.00 0.00 O ATOM 0 H SER A 107 8.484 32.651 7.799 1.00 0.00 H new ATOM 0 HA SER A 107 5.637 32.988 7.075 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.142 34.000 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.104 35.160 8.650 1.00 0.00 H new ATOM 0 HG SER A 107 4.979 33.968 10.290 1.00 0.00 H new ATOM 1583 N SER A 108 6.488 34.445 5.268 1.00 0.00 N ATOM 1584 CA SER A 108 6.886 35.375 4.219 1.00 0.00 C ATOM 1585 C SER A 108 5.822 36.448 4.010 1.00 0.00 C ATOM 1586 O SER A 108 4.631 36.201 4.196 1.00 0.00 O ATOM 1587 CB SER A 108 7.133 34.625 2.908 1.00 0.00 C ATOM 1588 OG SER A 108 5.941 34.023 2.433 1.00 0.00 O ATOM 0 H SER A 108 5.736 33.809 5.004 1.00 0.00 H new ATOM 0 HA SER A 108 7.810 35.860 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.520 35.315 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 108 7.895 33.860 3.061 1.00 0.00 H new ATOM 0 HG SER A 108 6.125 33.552 1.594 1.00 0.00 H new ATOM 1594 N GLY A 109 6.260 37.641 3.623 1.00 0.00 N ATOM 1595 CA GLY A 109 5.333 38.736 3.397 1.00 0.00 C ATOM 1596 C GLY A 109 6.022 39.979 2.872 1.00 0.00 C ATOM 1597 O GLY A 109 6.106 40.991 3.568 1.00 0.00 O ATOM 0 H GLY A 109 7.241 37.870 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.569 38.420 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.822 38.974 4.330 1.00 0.00 H new TER 1601 GLY A 109