USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1376 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 106 GLN : amide:sc= -3.1! C(o=-4.6!,f=-9.1!) USER MOD Set 1.2: A 108 TYR OH : rot -176:sc= -1.49! USER MOD Set 2.1: A 92 GLN : amide:sc= -0.42! X(o=0.71!,f=0.25) USER MOD Set 2.2: A 111 THR OG1 : rot 155:sc= 1.13 USER MOD Set 3.1: A 88 SER OG : rot -91:sc= 0.158 USER MOD Set 3.2: A 135 THR OG1 : rot 180:sc= 0.514 USER MOD Set 4.1: A 49 TYR OH : rot 180:sc= -0.0391 USER MOD Set 4.2: A 58 MET CE :methyl -178:sc= -0.203 (180deg=-0.218) USER MOD Single : A 1 SER N :NH3+ -168:sc=-0.00597 (180deg=-0.165) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -135:sc= -0.219 (180deg=-1.16!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 14 ASN :FLIP amide:sc= -1.32 F(o=-2.5!,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -103:sc= -1.24! USER MOD Single : A 24 CYS SG : rot -68:sc= 0.987 USER MOD Single : A 26 CYS SG : rot -165:sc= 0.448 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 45:sc= -1.89 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.09 F(o=-3.7!,f=-1.1) USER MOD Single : A 38 SER OG : rot -158:sc= -0.0956 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.28! C(o=-1.3!,f=-4.4!) USER MOD Single : A 55 SER OG : rot -87:sc= 0.839 USER MOD Single : A 57 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.82) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.08 K(o=-2.1,f=-2.7) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= 0.862 F(o=-6.7!,f=0.86) USER MOD Single : A 81 SER OG : rot -89:sc= 0.218 USER MOD Single : A 82 CYS SG : rot -11:sc= -0.244 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= 0.00339 (180deg=-0.265) USER MOD Single : A 96 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.4!) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.117) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0373 F(o=-1.1,f=-0.037) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 114 CYS SG : rot 156:sc= -0.34 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -7.37! C(o=-8.3!,f=-7.4!) USER MOD Single : A 122 HIS : no HD1:sc= -0.497 K(o=-0.5,f=-1.1!) USER MOD Single : A 127 HIS : no HD1:sc= -2.04 K(o=-2,f=-3.7!) USER MOD Single : A 128 SER OG : rot 59:sc= -0.76! USER MOD Single : A 129 CYS SG : rot 39:sc= -0.572 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= -0.61 (180deg=-0.61) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= -0.809! C(o=-1.6!,f=-0.81!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN :FLIP amide:sc= -1.08! C(o=-6.4!,f=-1.1!) USER MOD Single : A 149 TYR OH : rot 165:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.149) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 170 GLN : amide:sc= -0.0921 K(o=-0.092,f=-1) USER MOD Single : A 171 SER OG : rot -127:sc= -0.745 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.678 -19.970 5.426 1.00 4.50 N ATOM 2 CA SER A 1 19.485 -20.040 6.314 1.00 4.52 C ATOM 3 C SER A 1 18.761 -18.692 6.300 1.00 3.57 C ATOM 4 O SER A 1 17.551 -18.626 6.398 1.00 3.03 O ATOM 5 CB SER A 1 19.927 -20.365 7.741 1.00 4.81 C ATOM 6 OG SER A 1 20.751 -21.524 7.727 1.00 5.28 O ATOM 0 H1 SER A 1 21.053 -20.928 5.272 1.00 4.50 H new ATOM 0 H2 SER A 1 20.407 -19.554 4.512 1.00 4.50 H new ATOM 0 H3 SER A 1 21.409 -19.380 5.872 1.00 4.50 H new ATOM 0 HA SER A 1 18.812 -20.820 5.957 1.00 4.52 H new ATOM 0 HB2 SER A 1 20.473 -19.522 8.165 1.00 4.81 H new ATOM 0 HB3 SER A 1 19.056 -20.532 8.374 1.00 4.81 H new ATOM 0 HG SER A 1 21.037 -21.733 8.641 1.00 5.28 H new ATOM 14 N LYS A 2 19.490 -17.616 6.180 1.00 3.60 N ATOM 15 CA LYS A 2 18.841 -16.275 6.161 1.00 3.08 C ATOM 16 C LYS A 2 18.196 -16.039 4.796 1.00 2.11 C ATOM 17 O LYS A 2 18.567 -15.137 4.070 1.00 2.12 O ATOM 18 CB LYS A 2 19.893 -15.196 6.431 1.00 3.28 C ATOM 19 CG LYS A 2 20.575 -15.471 7.772 1.00 3.95 C ATOM 20 CD LYS A 2 21.490 -14.299 8.129 1.00 4.66 C ATOM 21 CE LYS A 2 21.968 -14.448 9.573 1.00 5.66 C ATOM 22 NZ LYS A 2 20.788 -14.465 10.484 1.00 5.96 N ATOM 0 H LYS A 2 20.506 -17.608 6.094 1.00 3.60 H new ATOM 0 HA LYS A 2 18.073 -16.230 6.933 1.00 3.08 H new ATOM 0 HB2 LYS A 2 20.633 -15.186 5.630 1.00 3.28 H new ATOM 0 HB3 LYS A 2 19.425 -14.212 6.444 1.00 3.28 H new ATOM 0 HG2 LYS A 2 19.826 -15.612 8.551 1.00 3.95 H new ATOM 0 HG3 LYS A 2 21.153 -16.393 7.716 1.00 3.95 H new ATOM 0 HD2 LYS A 2 22.344 -14.272 7.453 1.00 4.66 H new ATOM 0 HD3 LYS A 2 20.956 -13.357 8.007 1.00 4.66 H new ATOM 0 HE2 LYS A 2 22.542 -15.368 9.685 1.00 5.66 H new ATOM 0 HE3 LYS A 2 22.632 -13.624 9.835 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 20.971 -13.848 11.301 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 19.950 -14.123 9.973 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 20.619 -15.436 10.815 1.00 5.96 H new ATOM 36 N THR A 3 17.211 -16.823 4.453 1.00 1.72 N ATOM 37 CA THR A 3 16.524 -16.613 3.147 1.00 1.18 C ATOM 38 C THR A 3 15.512 -15.477 3.313 1.00 1.02 C ATOM 39 O THR A 3 14.883 -15.352 4.345 1.00 1.63 O ATOM 40 CB THR A 3 15.746 -17.866 2.742 1.00 1.48 C ATOM 41 OG1 THR A 3 16.618 -18.988 2.762 1.00 2.13 O ATOM 42 CG2 THR A 3 15.178 -17.684 1.333 1.00 2.22 C ATOM 0 H THR A 3 16.854 -17.595 5.016 1.00 1.72 H new ATOM 0 HA THR A 3 17.272 -16.383 2.388 1.00 1.18 H new ATOM 0 HB THR A 3 14.927 -18.028 3.442 1.00 1.48 H new ATOM 0 HG1 THR A 3 16.122 -19.793 2.505 1.00 2.13 H new ATOM 0 HG21 THR A 3 14.624 -18.578 1.046 1.00 2.22 H new ATOM 0 HG22 THR A 3 14.510 -16.823 1.318 1.00 2.22 H new ATOM 0 HG23 THR A 3 15.995 -17.522 0.630 1.00 2.22 H new ATOM 50 N GLY A 4 15.337 -14.647 2.323 1.00 0.52 N ATOM 51 CA GLY A 4 14.349 -13.544 2.491 1.00 0.30 C ATOM 52 C GLY A 4 14.322 -12.607 1.282 1.00 0.41 C ATOM 53 O GLY A 4 15.042 -12.771 0.319 1.00 0.81 O ATOM 0 H GLY A 4 15.821 -14.681 1.426 1.00 0.52 H new ATOM 0 HA2 GLY A 4 13.356 -13.967 2.643 1.00 0.30 H new ATOM 0 HA3 GLY A 4 14.593 -12.973 3.387 1.00 0.30 H new ATOM 57 N GLY A 5 13.482 -11.612 1.362 1.00 0.01 N ATOM 58 CA GLY A 5 13.361 -10.613 0.261 1.00 0.01 C ATOM 59 C GLY A 5 14.518 -9.618 0.353 1.00 0.01 C ATOM 60 O GLY A 5 15.118 -9.451 1.395 1.00 0.01 O ATOM 0 H GLY A 5 12.864 -11.446 2.156 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.375 -11.116 -0.706 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.408 -10.088 0.333 1.00 0.01 H new ATOM 64 N LYS A 6 14.847 -8.963 -0.728 1.00 0.00 N ATOM 65 CA LYS A 6 15.978 -7.983 -0.694 1.00 0.01 C ATOM 66 C LYS A 6 15.723 -6.843 -1.680 1.00 0.01 C ATOM 67 O LYS A 6 15.311 -7.055 -2.810 1.00 0.00 O ATOM 68 CB LYS A 6 17.295 -8.680 -1.047 1.00 0.02 C ATOM 69 CG LYS A 6 18.423 -7.646 -1.127 1.00 0.02 C ATOM 70 CD LYS A 6 19.777 -8.360 -1.111 1.00 0.02 C ATOM 71 CE LYS A 6 19.927 -9.208 -2.376 1.00 0.02 C ATOM 72 NZ LYS A 6 21.357 -9.585 -2.554 1.00 0.02 N ATOM 0 H LYS A 6 14.385 -9.062 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 6 16.048 -7.574 0.314 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.532 -9.433 -0.295 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.198 -9.201 -2.000 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.323 -7.054 -2.037 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.356 -6.954 -0.288 1.00 0.02 H new ATOM 0 HD2 LYS A 6 20.584 -7.629 -1.053 1.00 0.02 H new ATOM 0 HD3 LYS A 6 19.856 -8.992 -0.226 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.310 -10.104 -2.302 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.576 -8.650 -3.244 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.460 -10.161 -3.414 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 21.934 -8.725 -2.643 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 21.677 -10.133 -1.730 1.00 0.02 H new ATOM 86 N ILE A 7 15.995 -5.631 -1.245 1.00 0.02 N ATOM 87 CA ILE A 7 15.809 -4.427 -2.117 1.00 0.00 C ATOM 88 C ILE A 7 17.080 -3.568 -2.068 1.00 0.02 C ATOM 89 O ILE A 7 17.692 -3.411 -1.031 1.00 0.01 O ATOM 90 CB ILE A 7 14.586 -3.641 -1.640 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.514 -2.298 -2.371 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.690 -3.393 -0.140 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.157 -1.642 -2.101 1.00 0.02 C ATOM 0 H ILE A 7 16.343 -5.425 -0.309 1.00 0.02 H new ATOM 0 HA ILE A 7 15.638 -4.728 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 7 13.686 -4.218 -1.854 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.319 -1.645 -2.034 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.651 -2.447 -3.442 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.818 -2.833 0.198 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.734 -4.348 0.384 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.593 -2.821 0.072 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.105 -0.686 -2.621 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.360 -2.294 -2.459 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.038 -1.479 -1.030 1.00 0.02 H new ATOM 105 N SER A 8 17.476 -3.006 -3.189 1.00 0.02 N ATOM 106 CA SER A 8 18.707 -2.146 -3.229 1.00 0.02 C ATOM 107 C SER A 8 18.351 -0.740 -3.724 1.00 0.01 C ATOM 108 O SER A 8 17.709 -0.572 -4.741 1.00 0.02 O ATOM 109 CB SER A 8 19.746 -2.759 -4.171 1.00 0.30 C ATOM 110 OG SER A 8 19.800 -4.164 -3.962 1.00 0.39 O ATOM 0 H SER A 8 16.996 -3.107 -4.083 1.00 0.02 H new ATOM 0 HA SER A 8 19.119 -2.085 -2.222 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.486 -2.544 -5.207 1.00 0.30 H new ATOM 0 HB3 SER A 8 20.725 -2.315 -3.989 1.00 0.30 H new ATOM 0 HG SER A 8 20.463 -4.559 -4.565 1.00 0.39 H new ATOM 116 N PHE A 9 18.784 0.274 -3.007 1.00 0.02 N ATOM 117 CA PHE A 9 18.505 1.691 -3.414 1.00 0.01 C ATOM 118 C PHE A 9 19.814 2.354 -3.874 1.00 0.01 C ATOM 119 O PHE A 9 20.857 2.139 -3.287 1.00 0.02 O ATOM 120 CB PHE A 9 17.953 2.464 -2.209 1.00 0.02 C ATOM 121 CG PHE A 9 16.964 1.611 -1.452 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.422 0.595 -0.604 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.590 1.842 -1.588 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.507 -0.192 0.107 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.674 1.058 -0.875 1.00 0.02 C ATOM 126 CZ PHE A 9 15.133 0.040 -0.028 1.00 0.02 C ATOM 0 H PHE A 9 19.325 0.178 -2.148 1.00 0.02 H new ATOM 0 HA PHE A 9 17.778 1.701 -4.226 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.770 2.757 -1.550 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.470 3.381 -2.546 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.482 0.418 -0.498 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.236 2.625 -2.243 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.861 -0.977 0.759 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.614 1.238 -0.978 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.427 -0.565 0.521 1.00 0.02 H new ATOM 136 N TYR A 10 19.773 3.153 -4.919 1.00 0.02 N ATOM 137 CA TYR A 10 21.021 3.827 -5.419 1.00 0.01 C ATOM 138 C TYR A 10 20.823 5.348 -5.409 1.00 0.02 C ATOM 139 O TYR A 10 19.766 5.848 -5.743 1.00 0.01 O ATOM 140 CB TYR A 10 21.305 3.376 -6.859 1.00 0.02 C ATOM 141 CG TYR A 10 21.151 1.875 -6.974 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.878 1.293 -6.931 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.285 1.065 -7.130 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.737 -0.095 -7.046 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.144 -0.324 -7.243 1.00 0.02 C ATOM 146 CZ TYR A 10 20.869 -0.903 -7.200 1.00 0.00 C ATOM 147 OH TYR A 10 20.729 -2.271 -7.313 1.00 0.02 O ATOM 0 H TYR A 10 18.928 3.368 -5.448 1.00 0.02 H new ATOM 0 HA TYR A 10 21.856 3.557 -4.773 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.620 3.873 -7.546 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.314 3.669 -7.148 1.00 0.02 H new ATOM 0 HD1 TYR A 10 19.004 1.916 -6.809 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.267 1.512 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.754 -0.542 -7.016 1.00 0.02 H new ATOM 0 HE2 TYR A 10 23.017 -0.948 -7.363 1.00 0.02 H new ATOM 0 HH TYR A 10 21.612 -2.683 -7.415 1.00 0.02 H new ATOM 157 N GLU A 11 21.815 6.090 -4.991 1.00 0.00 N ATOM 158 CA GLU A 11 21.655 7.571 -4.922 1.00 0.02 C ATOM 159 C GLU A 11 21.578 8.199 -6.314 1.00 0.03 C ATOM 160 O GLU A 11 20.977 9.244 -6.474 1.00 0.03 O ATOM 161 CB GLU A 11 22.842 8.179 -4.173 1.00 0.00 C ATOM 162 CG GLU A 11 22.850 7.672 -2.730 1.00 0.00 C ATOM 163 CD GLU A 11 23.784 8.544 -1.887 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.778 9.006 -2.423 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.490 8.732 -0.717 1.00 0.01 O ATOM 0 H GLU A 11 22.725 5.736 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 11 20.722 7.778 -4.399 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.775 7.910 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.776 9.267 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.841 7.698 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.179 6.633 -2.700 1.00 0.00 H new ATOM 172 N ASP A 12 22.167 7.598 -7.325 1.00 0.02 N ATOM 173 CA ASP A 12 22.104 8.203 -8.698 1.00 0.01 C ATOM 174 C ASP A 12 21.293 7.302 -9.633 1.00 0.02 C ATOM 175 O ASP A 12 20.956 6.180 -9.311 1.00 0.02 O ATOM 176 CB ASP A 12 23.519 8.359 -9.260 1.00 0.01 C ATOM 177 CG ASP A 12 24.432 8.955 -8.187 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.912 9.429 -7.191 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.635 8.925 -8.379 1.00 0.02 O ATOM 0 H ASP A 12 22.685 6.722 -7.260 1.00 0.02 H new ATOM 0 HA ASP A 12 21.625 9.179 -8.628 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.903 7.391 -9.582 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.504 9.004 -10.139 1.00 0.01 H new ATOM 184 N ARG A 13 20.981 7.810 -10.793 1.00 0.02 N ATOM 185 CA ARG A 13 20.187 7.036 -11.789 1.00 0.02 C ATOM 186 C ARG A 13 21.065 5.968 -12.446 1.00 0.00 C ATOM 187 O ARG A 13 22.276 6.065 -12.469 1.00 0.02 O ATOM 188 CB ARG A 13 19.680 8.004 -12.861 1.00 0.00 C ATOM 189 CG ARG A 13 18.698 8.995 -12.232 1.00 0.01 C ATOM 190 CD ARG A 13 18.335 10.076 -13.253 1.00 0.02 C ATOM 191 NE ARG A 13 17.599 11.178 -12.572 1.00 0.03 N ATOM 192 CZ ARG A 13 17.450 12.327 -13.169 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.945 12.513 -14.362 1.00 0.02 N ATOM 194 NH2 ARG A 13 16.804 13.292 -12.575 1.00 0.02 N ATOM 0 H ARG A 13 21.248 8.746 -11.098 1.00 0.02 H new ATOM 0 HA ARG A 13 19.350 6.546 -11.291 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.518 8.540 -13.307 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.191 7.451 -13.663 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.799 8.473 -11.904 1.00 0.01 H new ATOM 0 HG3 ARG A 13 19.142 9.451 -11.347 1.00 0.01 H new ATOM 0 HD2 ARG A 13 19.238 10.464 -13.723 1.00 0.02 H new ATOM 0 HD3 ARG A 13 17.720 9.650 -14.046 1.00 0.02 H new ATOM 0 HE ARG A 13 17.212 11.033 -11.639 1.00 0.03 H new ATOM 0 HH11 ARG A 13 18.449 11.759 -14.828 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.828 13.413 -14.828 1.00 0.02 H new ATOM 0 HH21 ARG A 13 16.415 13.148 -11.643 1.00 0.02 H new ATOM 0 HH22 ARG A 13 16.688 14.191 -13.042 1.00 0.02 H new ATOM 208 N ASN A 14 20.445 4.952 -12.993 1.00 0.02 N ATOM 209 CA ASN A 14 21.205 3.865 -13.673 1.00 0.02 C ATOM 210 C ASN A 14 22.057 3.085 -12.665 1.00 0.02 C ATOM 211 O ASN A 14 23.150 2.642 -12.959 1.00 0.02 O ATOM 212 CB ASN A 14 22.083 4.479 -14.770 1.00 0.26 C ATOM 213 CG ASN A 14 21.343 5.648 -15.421 1.00 0.12 C ATOM 214 OD1 ASN A 14 20.037 5.645 -15.446 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 21.957 6.574 -15.912 1.00 0.46 N flip ATOM 0 H ASN A 14 19.432 4.831 -12.996 1.00 0.02 H new ATOM 0 HA ASN A 14 20.505 3.162 -14.124 1.00 0.02 H new ATOM 0 HB2 ASN A 14 23.026 4.823 -14.346 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.326 3.726 -15.520 1.00 0.26 H new ATOM 0 HD21 ASN A 14 22.977 6.577 -15.893 1.00 0.46 H new ATOM 0 HD22 ASN A 14 21.453 7.349 -16.343 1.00 0.46 H new ATOM 222 N PHE A 15 21.531 2.937 -11.473 1.00 0.02 N ATOM 223 CA PHE A 15 22.225 2.192 -10.373 1.00 0.02 C ATOM 224 C PHE A 15 23.664 2.672 -10.204 1.00 0.00 C ATOM 225 O PHE A 15 24.579 1.892 -10.031 1.00 0.02 O ATOM 226 CB PHE A 15 22.189 0.670 -10.624 1.00 0.02 C ATOM 227 CG PHE A 15 22.566 0.343 -12.048 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.577 0.275 -13.036 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.906 0.105 -12.383 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.926 -0.031 -14.357 1.00 0.02 C ATOM 231 CE2 PHE A 15 24.255 -0.201 -13.704 1.00 0.02 C ATOM 232 CZ PHE A 15 23.264 -0.268 -14.692 1.00 0.02 C ATOM 0 H PHE A 15 20.621 3.314 -11.209 1.00 0.02 H new ATOM 0 HA PHE A 15 21.687 2.398 -9.447 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.874 0.170 -9.940 1.00 0.02 H new ATOM 0 HB3 PHE A 15 21.191 0.287 -10.412 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.544 0.459 -12.779 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.670 0.158 -11.622 1.00 0.02 H new ATOM 0 HE1 PHE A 15 21.162 -0.084 -15.118 1.00 0.02 H new ATOM 0 HE2 PHE A 15 25.288 -0.385 -13.961 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.532 -0.502 -15.712 1.00 0.02 H new ATOM 242 N GLN A 16 23.853 3.963 -10.224 1.00 0.02 N ATOM 243 CA GLN A 16 25.213 4.553 -10.034 1.00 0.02 C ATOM 244 C GLN A 16 25.218 5.307 -8.700 1.00 0.02 C ATOM 245 O GLN A 16 24.177 5.562 -8.121 1.00 0.02 O ATOM 246 CB GLN A 16 25.507 5.533 -11.177 1.00 0.02 C ATOM 247 CG GLN A 16 25.900 4.751 -12.433 1.00 0.00 C ATOM 248 CD GLN A 16 26.052 5.715 -13.611 1.00 0.00 C ATOM 249 OE1 GLN A 16 26.147 6.912 -13.424 1.00 0.02 O ATOM 250 NE2 GLN A 16 26.077 5.240 -14.825 1.00 0.02 N ATOM 0 H GLN A 16 23.110 4.647 -10.366 1.00 0.02 H new ATOM 0 HA GLN A 16 25.972 3.771 -10.032 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.629 6.147 -11.378 1.00 0.02 H new ATOM 0 HB3 GLN A 16 26.312 6.211 -10.891 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.835 4.217 -12.264 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.142 4.001 -12.659 1.00 0.00 H new ATOM 0 HE21 GLN A 16 25.997 4.235 -14.981 1.00 0.02 H new ATOM 0 HE22 GLN A 16 26.176 5.873 -15.618 1.00 0.02 H new ATOM 259 N GLY A 17 26.369 5.667 -8.195 1.00 0.03 N ATOM 260 CA GLY A 17 26.414 6.405 -6.897 1.00 0.03 C ATOM 261 C GLY A 17 26.484 5.421 -5.725 1.00 0.02 C ATOM 262 O GLY A 17 26.708 4.239 -5.904 1.00 0.02 O ATOM 0 H GLY A 17 27.277 5.483 -8.623 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.280 7.066 -6.877 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.530 7.035 -6.799 1.00 0.03 H new ATOM 266 N ARG A 18 26.279 5.902 -4.529 1.00 0.00 N ATOM 267 CA ARG A 18 26.315 5.010 -3.334 1.00 0.02 C ATOM 268 C ARG A 18 25.100 4.079 -3.369 1.00 0.02 C ATOM 269 O ARG A 18 24.025 4.462 -3.784 1.00 0.02 O ATOM 270 CB ARG A 18 26.279 5.870 -2.070 1.00 0.79 C ATOM 271 CG ARG A 18 26.130 4.972 -0.840 1.00 1.49 C ATOM 272 CD ARG A 18 26.413 5.788 0.424 1.00 1.42 C ATOM 273 NE ARG A 18 26.159 4.945 1.627 1.00 2.07 N ATOM 274 CZ ARG A 18 26.609 5.319 2.794 1.00 2.35 C ATOM 275 NH1 ARG A 18 27.282 6.432 2.907 1.00 2.53 N ATOM 276 NH2 ARG A 18 26.386 4.581 3.846 1.00 2.76 N ATOM 0 H ARG A 18 26.086 6.883 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 18 27.226 4.412 -3.337 1.00 0.02 H new ATOM 0 HB2 ARG A 18 27.193 6.460 -1.993 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.449 6.574 -2.121 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.123 4.556 -0.800 1.00 1.49 H new ATOM 0 HG3 ARG A 18 26.820 4.131 -0.905 1.00 1.49 H new ATOM 0 HD2 ARG A 18 27.446 6.135 0.422 1.00 1.42 H new ATOM 0 HD3 ARG A 18 25.779 6.674 0.447 1.00 1.42 H new ATOM 0 HE ARG A 18 25.633 4.075 1.538 1.00 2.07 H new ATOM 0 HH11 ARG A 18 27.456 7.009 2.084 1.00 2.53 H new ATOM 0 HH12 ARG A 18 27.634 6.725 3.818 1.00 2.53 H new ATOM 0 HH21 ARG A 18 25.860 3.712 3.757 1.00 2.76 H new ATOM 0 HH22 ARG A 18 26.738 4.873 4.758 1.00 2.76 H new ATOM 290 N ARG A 19 25.276 2.846 -2.955 1.00 0.02 N ATOM 291 CA ARG A 19 24.153 1.855 -2.978 1.00 0.02 C ATOM 292 C ARG A 19 23.906 1.308 -1.569 1.00 0.02 C ATOM 293 O ARG A 19 24.813 1.184 -0.769 1.00 0.02 O ATOM 294 CB ARG A 19 24.554 0.690 -3.895 1.00 0.85 C ATOM 295 CG ARG A 19 23.373 -0.265 -4.090 1.00 1.31 C ATOM 296 CD ARG A 19 23.854 -1.531 -4.805 1.00 1.34 C ATOM 297 NE ARG A 19 24.865 -1.168 -5.836 1.00 1.50 N ATOM 298 CZ ARG A 19 25.632 -2.089 -6.353 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.517 -3.329 -5.960 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.515 -1.769 -7.259 1.00 1.89 N ATOM 0 H ARG A 19 26.159 2.481 -2.599 1.00 0.02 H new ATOM 0 HA ARG A 19 23.246 2.340 -3.339 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.882 1.075 -4.861 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.398 0.152 -3.463 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.937 -0.523 -3.125 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.591 0.221 -4.674 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.287 -2.225 -4.085 1.00 1.34 H new ATOM 0 HD3 ARG A 19 23.011 -2.040 -5.271 1.00 1.34 H new ATOM 0 HE ARG A 19 24.958 -0.198 -6.139 1.00 1.50 H new ATOM 0 HH11 ARG A 19 24.828 -3.577 -5.250 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.116 -4.049 -6.363 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.606 -0.800 -7.563 1.00 1.89 H new ATOM 0 HH22 ARG A 19 27.115 -2.488 -7.663 1.00 1.89 H new ATOM 314 N TYR A 20 22.679 0.944 -1.283 1.00 0.02 N ATOM 315 CA TYR A 20 22.347 0.357 0.053 1.00 0.02 C ATOM 316 C TYR A 20 21.433 -0.853 -0.134 1.00 0.02 C ATOM 317 O TYR A 20 20.464 -0.794 -0.856 1.00 0.02 O ATOM 318 CB TYR A 20 21.651 1.378 0.958 1.00 0.02 C ATOM 319 CG TYR A 20 21.702 0.852 2.373 1.00 0.01 C ATOM 320 CD1 TYR A 20 20.785 -0.120 2.790 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.691 1.305 3.253 1.00 0.02 C ATOM 322 CE1 TYR A 20 20.853 -0.633 4.091 1.00 0.02 C ATOM 323 CE2 TYR A 20 22.763 0.788 4.552 1.00 0.02 C ATOM 324 CZ TYR A 20 21.844 -0.180 4.972 1.00 0.02 C ATOM 325 OH TYR A 20 21.916 -0.692 6.251 1.00 0.01 O ATOM 0 H TYR A 20 21.889 1.029 -1.922 1.00 0.02 H new ATOM 0 HA TYR A 20 23.280 0.057 0.530 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.147 2.347 0.893 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.618 1.526 0.643 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.026 -0.474 2.109 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.399 2.054 2.930 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.142 -1.378 4.416 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.528 1.136 5.230 1.00 0.02 H new ATOM 0 HH TYR A 20 22.660 -0.271 6.730 1.00 0.01 H new ATOM 335 N ASP A 21 21.731 -1.948 0.520 1.00 0.01 N ATOM 336 CA ASP A 21 20.879 -3.177 0.401 1.00 0.02 C ATOM 337 C ASP A 21 20.144 -3.409 1.727 1.00 0.00 C ATOM 338 O ASP A 21 20.714 -3.293 2.794 1.00 0.01 O ATOM 339 CB ASP A 21 21.785 -4.375 0.104 1.00 0.12 C ATOM 340 CG ASP A 21 22.842 -4.502 1.203 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.478 -4.881 2.305 1.00 0.56 O ATOM 342 OD2 ASP A 21 23.995 -4.220 0.923 1.00 1.12 O ATOM 0 H ASP A 21 22.536 -2.046 1.138 1.00 0.01 H new ATOM 0 HA ASP A 21 20.151 -3.055 -0.401 1.00 0.02 H new ATOM 0 HB2 ASP A 21 21.192 -5.288 0.048 1.00 0.12 H new ATOM 0 HB3 ASP A 21 22.267 -4.248 -0.865 1.00 0.12 H new ATOM 347 N CYS A 22 18.869 -3.730 1.659 1.00 0.01 N ATOM 348 CA CYS A 22 18.069 -3.965 2.906 1.00 0.00 C ATOM 349 C CYS A 22 17.348 -5.313 2.802 1.00 0.02 C ATOM 350 O CYS A 22 16.824 -5.674 1.761 1.00 0.01 O ATOM 351 CB CYS A 22 17.041 -2.844 3.071 1.00 0.00 C ATOM 352 SG CYS A 22 16.143 -3.080 4.626 1.00 0.02 S ATOM 0 H CYS A 22 18.348 -3.839 0.789 1.00 0.01 H new ATOM 0 HA CYS A 22 18.734 -3.975 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.539 -1.875 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.345 -2.846 2.232 1.00 0.00 H new ATOM 0 HG CYS A 22 14.967 -3.574 4.377 1.00 0.02 H new ATOM 358 N ASP A 23 17.327 -6.064 3.881 1.00 0.01 N ATOM 359 CA ASP A 23 16.658 -7.402 3.884 1.00 0.02 C ATOM 360 C ASP A 23 15.519 -7.428 4.912 1.00 0.00 C ATOM 361 O ASP A 23 14.986 -8.476 5.219 1.00 0.02 O ATOM 362 CB ASP A 23 17.693 -8.470 4.245 1.00 0.16 C ATOM 363 CG ASP A 23 18.397 -8.080 5.546 1.00 0.17 C ATOM 364 OD1 ASP A 23 18.085 -7.025 6.075 1.00 0.17 O ATOM 365 OD2 ASP A 23 19.238 -8.842 5.991 1.00 0.20 O ATOM 0 H ASP A 23 17.752 -5.800 4.770 1.00 0.01 H new ATOM 0 HA ASP A 23 16.241 -7.598 2.896 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.207 -9.439 4.359 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.422 -8.571 3.441 1.00 0.16 H new ATOM 370 N CYS A 24 15.128 -6.295 5.445 1.00 0.01 N ATOM 371 CA CYS A 24 14.014 -6.285 6.443 1.00 0.01 C ATOM 372 C CYS A 24 13.418 -4.871 6.515 1.00 0.01 C ATOM 373 O CYS A 24 13.927 -3.950 5.909 1.00 0.01 O ATOM 374 CB CYS A 24 14.550 -6.688 7.818 1.00 0.62 C ATOM 375 SG CYS A 24 16.087 -5.793 8.150 1.00 1.23 S ATOM 0 H CYS A 24 15.530 -5.382 5.233 1.00 0.01 H new ATOM 0 HA CYS A 24 13.243 -6.994 6.140 1.00 0.01 H new ATOM 0 HB2 CYS A 24 13.812 -6.464 8.588 1.00 0.62 H new ATOM 0 HB3 CYS A 24 14.728 -7.763 7.850 1.00 0.62 H new ATOM 0 HG CYS A 24 17.017 -6.215 7.346 1.00 1.23 H new ATOM 381 N ASP A 25 12.341 -4.682 7.239 1.00 0.02 N ATOM 382 CA ASP A 25 11.719 -3.324 7.331 1.00 0.01 C ATOM 383 C ASP A 25 12.684 -2.332 7.990 1.00 0.02 C ATOM 384 O ASP A 25 13.434 -2.674 8.881 1.00 0.00 O ATOM 385 CB ASP A 25 10.452 -3.413 8.183 1.00 0.01 C ATOM 386 CG ASP A 25 10.784 -4.067 9.525 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.425 -5.106 9.514 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.392 -3.519 10.541 1.00 0.01 O ATOM 0 H ASP A 25 11.865 -5.411 7.771 1.00 0.02 H new ATOM 0 HA ASP A 25 11.483 -2.978 6.325 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.039 -2.417 8.344 1.00 0.01 H new ATOM 0 HB3 ASP A 25 9.691 -3.994 7.662 1.00 0.01 H new ATOM 393 N CYS A 26 12.642 -1.092 7.564 1.00 0.01 N ATOM 394 CA CYS A 26 13.525 -0.038 8.164 1.00 0.01 C ATOM 395 C CYS A 26 12.694 1.227 8.424 1.00 0.01 C ATOM 396 O CYS A 26 12.124 1.798 7.516 1.00 0.01 O ATOM 397 CB CYS A 26 14.659 0.286 7.201 1.00 0.01 C ATOM 398 SG CYS A 26 15.805 1.451 7.983 1.00 0.02 S ATOM 0 H CYS A 26 12.028 -0.761 6.819 1.00 0.01 H new ATOM 0 HA CYS A 26 13.944 -0.401 9.103 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.186 -0.627 6.923 1.00 0.01 H new ATOM 0 HB3 CYS A 26 14.258 0.715 6.283 1.00 0.01 H new ATOM 0 HG CYS A 26 16.579 1.973 7.078 1.00 0.02 H new ATOM 404 N ALA A 27 12.590 1.637 9.663 1.00 0.01 N ATOM 405 CA ALA A 27 11.758 2.835 9.997 1.00 0.01 C ATOM 406 C ALA A 27 12.481 4.141 9.644 1.00 0.01 C ATOM 407 O ALA A 27 11.860 5.174 9.488 1.00 0.02 O ATOM 408 CB ALA A 27 11.432 2.822 11.492 1.00 0.24 C ATOM 0 H ALA A 27 13.046 1.193 10.460 1.00 0.01 H new ATOM 0 HA ALA A 27 10.842 2.787 9.408 1.00 0.01 H new ATOM 0 HB1 ALA A 27 10.826 3.693 11.740 1.00 0.24 H new ATOM 0 HB2 ALA A 27 10.880 1.914 11.736 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.358 2.849 12.067 1.00 0.24 H new ATOM 414 N ASP A 28 13.782 4.119 9.535 1.00 0.01 N ATOM 415 CA ASP A 28 14.519 5.379 9.204 1.00 0.02 C ATOM 416 C ASP A 28 15.844 5.032 8.525 1.00 0.01 C ATOM 417 O ASP A 28 16.780 4.596 9.164 1.00 0.02 O ATOM 418 CB ASP A 28 14.793 6.166 10.488 1.00 0.67 C ATOM 419 CG ASP A 28 15.563 7.444 10.147 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.664 7.754 8.973 1.00 1.14 O ATOM 421 OD2 ASP A 28 16.039 8.091 11.067 1.00 0.87 O ATOM 0 H ASP A 28 14.365 3.291 9.659 1.00 0.01 H new ATOM 0 HA ASP A 28 13.914 5.986 8.530 1.00 0.02 H new ATOM 0 HB2 ASP A 28 13.854 6.415 10.982 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.368 5.557 11.185 1.00 0.67 H new ATOM 426 N PHE A 29 15.929 5.221 7.229 1.00 0.02 N ATOM 427 CA PHE A 29 17.192 4.904 6.486 1.00 0.02 C ATOM 428 C PHE A 29 17.968 6.201 6.196 1.00 0.00 C ATOM 429 O PHE A 29 18.913 6.220 5.430 1.00 0.02 O ATOM 430 CB PHE A 29 16.842 4.190 5.147 1.00 2.87 C ATOM 431 CG PHE A 29 17.129 2.693 5.213 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.380 2.221 5.647 1.00 4.68 C ATOM 433 CD2 PHE A 29 16.135 1.776 4.843 1.00 4.52 C ATOM 434 CE1 PHE A 29 18.629 0.848 5.704 1.00 5.85 C ATOM 435 CE2 PHE A 29 16.392 0.401 4.898 1.00 5.75 C ATOM 436 CZ PHE A 29 17.637 -0.061 5.333 1.00 6.37 C ATOM 0 H PHE A 29 15.172 5.584 6.650 1.00 0.02 H new ATOM 0 HA PHE A 29 17.813 4.247 7.095 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.789 4.349 4.915 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.418 4.635 4.336 1.00 2.87 H new ATOM 0 HD1 PHE A 29 19.150 2.921 5.937 1.00 4.68 H new ATOM 0 HD2 PHE A 29 15.169 2.131 4.515 1.00 4.52 H new ATOM 0 HE1 PHE A 29 19.592 0.489 6.036 1.00 5.85 H new ATOM 0 HE2 PHE A 29 15.628 -0.303 4.604 1.00 5.75 H new ATOM 0 HZ PHE A 29 17.832 -1.122 5.382 1.00 6.37 H new ATOM 446 N ARG A 30 17.534 7.289 6.767 1.00 0.01 N ATOM 447 CA ARG A 30 18.193 8.600 6.504 1.00 0.00 C ATOM 448 C ARG A 30 19.668 8.597 6.924 1.00 0.01 C ATOM 449 O ARG A 30 20.467 9.330 6.378 1.00 0.02 O ATOM 450 CB ARG A 30 17.464 9.702 7.276 1.00 0.32 C ATOM 451 CG ARG A 30 16.088 9.944 6.648 1.00 0.86 C ATOM 452 CD ARG A 30 15.412 11.132 7.335 1.00 1.62 C ATOM 453 NE ARG A 30 14.256 11.589 6.512 1.00 2.25 N ATOM 454 CZ ARG A 30 13.362 12.387 7.029 1.00 2.70 C ATOM 455 NH1 ARG A 30 13.481 12.787 8.265 1.00 3.11 N ATOM 456 NH2 ARG A 30 12.348 12.785 6.308 1.00 3.02 N ATOM 0 H ARG A 30 16.744 7.327 7.411 1.00 0.01 H new ATOM 0 HA ARG A 30 18.144 8.781 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.352 9.415 8.322 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.050 10.621 7.258 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.193 10.140 5.581 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.469 9.052 6.749 1.00 0.86 H new ATOM 0 HD2 ARG A 30 15.073 10.846 8.331 1.00 1.62 H new ATOM 0 HD3 ARG A 30 16.125 11.946 7.463 1.00 1.62 H new ATOM 0 HE ARG A 30 14.164 11.278 5.545 1.00 2.25 H new ATOM 0 HH11 ARG A 30 14.273 12.476 8.828 1.00 3.11 H new ATOM 0 HH12 ARG A 30 12.782 13.411 8.669 1.00 3.11 H new ATOM 0 HH21 ARG A 30 12.255 12.472 5.342 1.00 3.02 H new ATOM 0 HH22 ARG A 30 11.649 13.409 6.711 1.00 3.02 H new ATOM 470 N SER A 31 20.049 7.814 7.899 1.00 0.02 N ATOM 471 CA SER A 31 21.476 7.830 8.346 1.00 0.02 C ATOM 472 C SER A 31 22.371 7.064 7.370 1.00 0.01 C ATOM 473 O SER A 31 23.578 7.193 7.395 1.00 0.02 O ATOM 474 CB SER A 31 21.573 7.183 9.727 1.00 0.37 C ATOM 475 OG SER A 31 20.604 7.767 10.588 1.00 0.88 O ATOM 0 H SER A 31 19.441 7.169 8.403 1.00 0.02 H new ATOM 0 HA SER A 31 21.815 8.865 8.383 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.408 6.108 9.650 1.00 0.37 H new ATOM 0 HB3 SER A 31 22.573 7.323 10.138 1.00 0.37 H new ATOM 0 HG SER A 31 20.662 7.353 11.474 1.00 0.88 H new ATOM 481 N TYR A 32 21.792 6.244 6.535 1.00 0.01 N ATOM 482 CA TYR A 32 22.608 5.431 5.575 1.00 0.01 C ATOM 483 C TYR A 32 22.455 5.973 4.154 1.00 0.02 C ATOM 484 O TYR A 32 23.262 5.698 3.290 1.00 0.02 O ATOM 485 CB TYR A 32 22.111 3.990 5.627 1.00 0.02 C ATOM 486 CG TYR A 32 22.040 3.541 7.069 1.00 0.02 C ATOM 487 CD1 TYR A 32 20.923 3.867 7.847 1.00 0.01 C ATOM 488 CD2 TYR A 32 23.089 2.800 7.628 1.00 0.01 C ATOM 489 CE1 TYR A 32 20.855 3.451 9.182 1.00 0.02 C ATOM 490 CE2 TYR A 32 23.020 2.384 8.962 1.00 0.00 C ATOM 491 CZ TYR A 32 21.903 2.709 9.739 1.00 0.02 C ATOM 492 OH TYR A 32 21.833 2.296 11.054 1.00 0.02 O ATOM 0 H TYR A 32 20.784 6.099 6.473 1.00 0.01 H new ATOM 0 HA TYR A 32 23.661 5.483 5.852 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.128 3.914 5.161 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.781 3.341 5.064 1.00 0.02 H new ATOM 0 HD1 TYR A 32 20.114 4.439 7.418 1.00 0.01 H new ATOM 0 HD2 TYR A 32 23.952 2.550 7.029 1.00 0.01 H new ATOM 0 HE1 TYR A 32 19.993 3.703 9.782 1.00 0.02 H new ATOM 0 HE2 TYR A 32 23.829 1.812 9.392 1.00 0.00 H new ATOM 0 HH TYR A 32 22.642 1.791 11.282 1.00 0.02 H new ATOM 502 N LEU A 33 21.413 6.711 3.890 1.00 0.02 N ATOM 503 CA LEU A 33 21.198 7.236 2.506 1.00 0.02 C ATOM 504 C LEU A 33 20.475 8.585 2.577 1.00 0.02 C ATOM 505 O LEU A 33 19.451 8.725 3.215 1.00 0.02 O ATOM 506 CB LEU A 33 20.307 6.233 1.753 1.00 1.66 C ATOM 507 CG LEU A 33 20.525 6.356 0.231 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.746 5.534 -0.203 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.290 5.834 -0.509 1.00 2.80 C ATOM 0 H LEU A 33 20.700 6.975 4.570 1.00 0.02 H new ATOM 0 HA LEU A 33 22.154 7.365 1.998 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.536 5.218 2.079 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.260 6.416 1.993 1.00 1.66 H new ATOM 0 HG LEU A 33 20.692 7.406 -0.011 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.886 5.631 -1.280 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.633 5.900 0.313 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.587 4.485 0.049 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.446 5.922 -1.584 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.126 4.788 -0.250 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.418 6.420 -0.220 1.00 2.80 H new ATOM 521 N SER A 34 21.027 9.586 1.939 1.00 0.02 N ATOM 522 CA SER A 34 20.408 10.944 1.975 1.00 0.02 C ATOM 523 C SER A 34 19.358 11.108 0.869 1.00 0.00 C ATOM 524 O SER A 34 18.594 12.054 0.871 1.00 0.01 O ATOM 525 CB SER A 34 21.499 11.998 1.785 1.00 0.02 C ATOM 526 OG SER A 34 21.909 12.011 0.424 1.00 0.02 O ATOM 0 H SER A 34 21.885 9.519 1.392 1.00 0.02 H new ATOM 0 HA SER A 34 19.916 11.070 2.939 1.00 0.02 H new ATOM 0 HB2 SER A 34 21.125 12.981 2.073 1.00 0.02 H new ATOM 0 HB3 SER A 34 22.349 11.778 2.431 1.00 0.02 H new ATOM 0 HG SER A 34 22.607 12.687 0.299 1.00 0.02 H new ATOM 532 N ARG A 35 19.305 10.206 -0.077 1.00 0.02 N ATOM 533 CA ARG A 35 18.305 10.317 -1.178 1.00 0.01 C ATOM 534 C ARG A 35 18.355 9.027 -2.005 1.00 0.02 C ATOM 535 O ARG A 35 19.311 8.279 -1.940 1.00 0.02 O ATOM 536 CB ARG A 35 18.648 11.510 -2.072 1.00 0.02 C ATOM 537 CG ARG A 35 20.056 11.332 -2.641 1.00 0.02 C ATOM 538 CD ARG A 35 20.535 12.655 -3.245 1.00 0.02 C ATOM 539 NE ARG A 35 20.832 13.621 -2.149 1.00 0.02 N ATOM 540 CZ ARG A 35 21.525 14.698 -2.399 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.956 14.930 -3.609 1.00 0.00 N ATOM 542 NH2 ARG A 35 21.788 15.542 -1.439 1.00 0.02 N ATOM 0 H ARG A 35 19.917 9.392 -0.133 1.00 0.02 H new ATOM 0 HA ARG A 35 17.308 10.463 -0.763 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.924 11.591 -2.883 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.590 12.436 -1.500 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.739 11.011 -1.855 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.056 10.552 -3.402 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.426 12.490 -3.850 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.771 13.063 -3.907 1.00 0.02 H new ATOM 0 HE ARG A 35 20.494 13.440 -1.204 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.751 14.270 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.498 15.772 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 35 21.452 15.360 -0.493 1.00 0.02 H new ATOM 0 HH22 ARG A 35 22.330 16.384 -1.634 1.00 0.02 H new ATOM 556 N CYS A 36 17.339 8.755 -2.784 1.00 0.02 N ATOM 557 CA CYS A 36 17.330 7.512 -3.619 1.00 0.02 C ATOM 558 C CYS A 36 16.658 7.819 -4.964 1.00 0.02 C ATOM 559 O CYS A 36 15.495 8.175 -4.994 1.00 0.02 O ATOM 560 CB CYS A 36 16.538 6.428 -2.883 1.00 0.02 C ATOM 561 SG CYS A 36 16.065 5.118 -4.038 1.00 0.02 S ATOM 0 H CYS A 36 16.511 9.342 -2.879 1.00 0.02 H new ATOM 0 HA CYS A 36 18.349 7.166 -3.793 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.139 6.012 -2.074 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.648 6.862 -2.428 1.00 0.02 H new ATOM 0 HG CYS A 36 17.082 4.813 -4.788 1.00 0.02 H new ATOM 567 N ASN A 37 17.363 7.720 -6.075 1.00 0.02 N ATOM 568 CA ASN A 37 16.727 8.053 -7.397 1.00 0.01 C ATOM 569 C ASN A 37 16.509 6.799 -8.254 1.00 0.02 C ATOM 570 O ASN A 37 15.997 6.866 -9.354 1.00 0.02 O ATOM 571 CB ASN A 37 17.621 9.027 -8.168 1.00 0.02 C ATOM 572 CG ASN A 37 17.906 10.254 -7.300 1.00 0.01 C ATOM 573 OD1 ASN A 37 18.484 10.097 -6.140 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 17.601 11.368 -7.680 1.00 0.02 N flip ATOM 0 H ASN A 37 18.339 7.427 -6.123 1.00 0.02 H new ATOM 0 HA ASN A 37 15.756 8.504 -7.191 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.556 8.539 -8.444 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.133 9.329 -9.095 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.149 11.492 -8.586 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.797 12.179 -7.093 1.00 0.02 H new ATOM 581 N SER A 38 16.876 5.652 -7.748 1.00 0.02 N ATOM 582 CA SER A 38 16.671 4.383 -8.508 1.00 0.02 C ATOM 583 C SER A 38 16.616 3.228 -7.507 1.00 0.01 C ATOM 584 O SER A 38 17.148 3.312 -6.417 1.00 0.02 O ATOM 585 CB SER A 38 17.811 4.161 -9.506 1.00 0.01 C ATOM 586 OG SER A 38 17.668 5.069 -10.592 1.00 0.02 O ATOM 0 H SER A 38 17.313 5.538 -6.833 1.00 0.02 H new ATOM 0 HA SER A 38 15.740 4.438 -9.072 1.00 0.02 H new ATOM 0 HB2 SER A 38 18.773 4.311 -9.016 1.00 0.01 H new ATOM 0 HB3 SER A 38 17.795 3.134 -9.871 1.00 0.01 H new ATOM 0 HG SER A 38 18.143 4.720 -11.375 1.00 0.02 H new ATOM 592 N ILE A 39 15.949 2.152 -7.851 1.00 0.02 N ATOM 593 CA ILE A 39 15.834 1.006 -6.895 1.00 0.02 C ATOM 594 C ILE A 39 15.812 -0.324 -7.646 1.00 0.02 C ATOM 595 O ILE A 39 15.260 -0.446 -8.720 1.00 0.02 O ATOM 596 CB ILE A 39 14.515 1.138 -6.127 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.398 2.557 -5.573 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.479 0.132 -4.971 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.181 2.661 -4.649 1.00 0.00 C ATOM 0 H ILE A 39 15.482 2.018 -8.748 1.00 0.02 H new ATOM 0 HA ILE A 39 16.690 1.026 -6.221 1.00 0.02 H new ATOM 0 HB ILE A 39 13.682 0.934 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.304 2.818 -5.026 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.304 3.269 -6.393 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.538 0.233 -4.430 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.564 -0.880 -5.367 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.310 0.327 -4.293 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.106 3.676 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.277 2.420 -5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.292 1.961 -3.821 1.00 0.00 H new ATOM 611 N ARG A 40 16.369 -1.338 -7.033 1.00 0.02 N ATOM 612 CA ARG A 40 16.354 -2.709 -7.621 1.00 0.02 C ATOM 613 C ARG A 40 15.713 -3.643 -6.593 1.00 0.01 C ATOM 614 O ARG A 40 16.184 -3.748 -5.480 1.00 0.02 O ATOM 615 CB ARG A 40 17.773 -3.197 -7.928 1.00 0.01 C ATOM 616 CG ARG A 40 17.709 -4.446 -8.812 1.00 0.02 C ATOM 617 CD ARG A 40 19.123 -4.839 -9.245 1.00 0.02 C ATOM 618 NE ARG A 40 20.003 -4.931 -8.046 1.00 0.02 N ATOM 619 CZ ARG A 40 21.160 -5.529 -8.133 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.544 -6.049 -9.267 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.935 -5.608 -7.084 1.00 0.02 N ATOM 0 H ARG A 40 16.842 -1.270 -6.132 1.00 0.02 H new ATOM 0 HA ARG A 40 15.795 -2.698 -8.557 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.337 -2.412 -8.431 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.299 -3.423 -7.000 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.243 -5.267 -8.267 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.090 -4.253 -9.688 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.102 -5.795 -9.768 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.519 -4.102 -9.944 1.00 0.02 H new ATOM 0 HE ARG A 40 19.702 -4.527 -7.159 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.940 -5.988 -10.086 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.448 -6.516 -9.334 1.00 0.02 H new ATOM 0 HH21 ARG A 40 21.636 -5.202 -6.197 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.839 -6.075 -7.152 1.00 0.02 H new ATOM 635 N VAL A 41 14.679 -4.357 -6.959 1.00 0.02 N ATOM 636 CA VAL A 41 14.055 -5.323 -6.004 1.00 0.01 C ATOM 637 C VAL A 41 14.476 -6.718 -6.449 1.00 0.02 C ATOM 638 O VAL A 41 14.132 -7.161 -7.526 1.00 0.02 O ATOM 639 CB VAL A 41 12.535 -5.184 -6.025 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.937 -6.078 -4.938 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.162 -3.730 -5.733 1.00 0.00 C ATOM 0 H VAL A 41 14.239 -4.313 -7.878 1.00 0.02 H new ATOM 0 HA VAL A 41 14.382 -5.130 -4.982 1.00 0.01 H new ATOM 0 HB VAL A 41 12.150 -5.477 -7.002 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.851 -5.984 -4.946 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.213 -7.115 -5.127 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.320 -5.773 -3.964 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.077 -3.623 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.543 -3.447 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.600 -3.082 -6.493 1.00 0.00 H new ATOM 651 N GLU A 42 15.249 -7.401 -5.642 1.00 0.01 N ATOM 652 CA GLU A 42 15.729 -8.754 -6.038 1.00 0.01 C ATOM 653 C GLU A 42 14.684 -9.800 -5.679 1.00 0.02 C ATOM 654 O GLU A 42 14.518 -10.779 -6.381 1.00 0.01 O ATOM 655 CB GLU A 42 17.041 -9.066 -5.313 1.00 0.99 C ATOM 656 CG GLU A 42 17.731 -10.253 -5.990 1.00 1.86 C ATOM 657 CD GLU A 42 18.286 -9.817 -7.347 1.00 3.10 C ATOM 658 OE1 GLU A 42 18.601 -8.645 -7.489 1.00 3.81 O ATOM 659 OE2 GLU A 42 18.381 -10.661 -8.223 1.00 3.67 O ATOM 0 H GLU A 42 15.566 -7.078 -4.728 1.00 0.01 H new ATOM 0 HA GLU A 42 15.897 -8.773 -7.115 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.695 -8.194 -5.331 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.844 -9.296 -4.266 1.00 0.99 H new ATOM 0 HG2 GLU A 42 18.537 -10.626 -5.359 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.023 -11.072 -6.121 1.00 1.86 H new ATOM 666 N GLY A 43 13.978 -9.626 -4.597 1.00 0.01 N ATOM 667 CA GLY A 43 12.964 -10.654 -4.238 1.00 0.02 C ATOM 668 C GLY A 43 11.965 -10.105 -3.227 1.00 0.02 C ATOM 669 O GLY A 43 12.307 -9.280 -2.400 1.00 0.02 O ATOM 0 H GLY A 43 14.056 -8.835 -3.958 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.437 -10.980 -5.135 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.461 -11.531 -3.824 1.00 0.02 H new ATOM 673 N GLY A 44 10.747 -10.579 -3.267 1.00 0.00 N ATOM 674 CA GLY A 44 9.725 -10.102 -2.291 1.00 0.01 C ATOM 675 C GLY A 44 9.048 -8.826 -2.807 1.00 0.01 C ATOM 676 O GLY A 44 9.465 -8.233 -3.781 1.00 0.01 O ATOM 0 H GLY A 44 10.417 -11.276 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.977 -10.878 -2.129 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.196 -9.907 -1.327 1.00 0.01 H new ATOM 680 N THR A 45 8.017 -8.395 -2.125 1.00 0.01 N ATOM 681 CA THR A 45 7.295 -7.140 -2.512 1.00 0.00 C ATOM 682 C THR A 45 7.428 -6.155 -1.351 1.00 0.01 C ATOM 683 O THR A 45 7.303 -6.537 -0.205 1.00 0.01 O ATOM 684 CB THR A 45 5.814 -7.468 -2.750 1.00 0.73 C ATOM 685 OG1 THR A 45 5.694 -8.285 -3.905 1.00 0.88 O ATOM 686 CG2 THR A 45 5.006 -6.182 -2.949 1.00 1.48 C ATOM 0 H THR A 45 7.638 -8.866 -1.303 1.00 0.01 H new ATOM 0 HA THR A 45 7.713 -6.711 -3.423 1.00 0.00 H new ATOM 0 HB THR A 45 5.425 -7.996 -1.879 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.750 -8.498 -4.059 1.00 0.88 H new ATOM 0 HG21 THR A 45 3.959 -6.433 -3.116 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.092 -5.557 -2.060 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.392 -5.640 -3.812 1.00 1.48 H new ATOM 694 N TRP A 46 7.754 -4.908 -1.615 1.00 0.02 N ATOM 695 CA TRP A 46 7.966 -3.935 -0.489 1.00 0.01 C ATOM 696 C TRP A 46 7.152 -2.655 -0.669 1.00 0.01 C ATOM 697 O TRP A 46 6.830 -2.231 -1.762 1.00 0.01 O ATOM 698 CB TRP A 46 9.449 -3.566 -0.432 1.00 0.00 C ATOM 699 CG TRP A 46 10.256 -4.789 -0.148 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.404 -5.835 -0.993 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.028 -5.112 1.044 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.218 -6.781 -0.395 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.628 -6.381 0.862 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.262 -4.433 2.252 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.433 -6.954 1.845 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.071 -5.007 3.243 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.656 -6.265 3.040 1.00 0.01 C ATOM 0 H TRP A 46 7.881 -4.524 -2.551 1.00 0.02 H new ATOM 0 HA TRP A 46 7.637 -4.415 0.433 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.761 -3.123 -1.378 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.619 -2.817 0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.960 -5.918 -1.974 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.483 -7.665 -0.829 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.816 -3.463 2.418 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 12.881 -7.923 1.684 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.245 -4.477 4.168 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.279 -6.701 3.807 1.00 0.01 H new ATOM 718 N ALA A 47 6.888 -2.011 0.436 1.00 0.01 N ATOM 719 CA ALA A 47 6.169 -0.706 0.434 1.00 0.01 C ATOM 720 C ALA A 47 7.218 0.338 0.807 1.00 0.01 C ATOM 721 O ALA A 47 7.967 0.162 1.749 1.00 0.01 O ATOM 722 CB ALA A 47 5.039 -0.722 1.467 1.00 0.24 C ATOM 0 H ALA A 47 7.148 -2.345 1.364 1.00 0.01 H new ATOM 0 HA ALA A 47 5.715 -0.493 -0.534 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.522 0.237 1.455 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.334 -1.517 1.223 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.455 -0.898 2.459 1.00 0.24 H new ATOM 728 N VAL A 48 7.262 1.433 0.091 1.00 0.01 N ATOM 729 CA VAL A 48 8.248 2.514 0.408 1.00 0.02 C ATOM 730 C VAL A 48 7.487 3.780 0.800 1.00 0.01 C ATOM 731 O VAL A 48 6.448 4.077 0.242 1.00 0.01 O ATOM 732 CB VAL A 48 9.130 2.791 -0.812 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.937 1.538 -1.154 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.246 3.168 -2.005 1.00 0.65 C ATOM 0 H VAL A 48 6.654 1.627 -0.705 1.00 0.01 H new ATOM 0 HA VAL A 48 8.885 2.199 1.234 1.00 0.02 H new ATOM 0 HB VAL A 48 9.811 3.612 -0.588 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.565 1.736 -2.023 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.566 1.267 -0.306 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.256 0.717 -1.378 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.873 3.366 -2.874 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.565 2.346 -2.228 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.670 4.061 -1.763 1.00 0.65 H new ATOM 744 N TYR A 49 7.992 4.521 1.761 1.00 0.01 N ATOM 745 CA TYR A 49 7.298 5.773 2.211 1.00 0.01 C ATOM 746 C TYR A 49 8.220 6.979 2.029 1.00 0.01 C ATOM 747 O TYR A 49 9.429 6.900 2.151 1.00 0.02 O ATOM 748 CB TYR A 49 6.911 5.633 3.682 1.00 0.01 C ATOM 749 CG TYR A 49 5.796 4.618 3.809 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.070 3.254 3.640 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.492 5.037 4.098 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.041 2.313 3.759 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.463 4.096 4.218 1.00 0.01 C ATOM 754 CZ TYR A 49 3.738 2.734 4.049 1.00 0.02 C ATOM 755 OH TYR A 49 2.723 1.806 4.168 1.00 0.01 O ATOM 0 H TYR A 49 8.859 4.311 2.255 1.00 0.01 H new ATOM 0 HA TYR A 49 6.401 5.925 1.610 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.774 5.318 4.269 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.589 6.596 4.079 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.076 2.929 3.418 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.280 6.088 4.229 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.252 1.262 3.627 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.457 4.421 4.441 1.00 0.01 H new ATOM 0 HH TYR A 49 1.882 2.266 4.372 1.00 0.01 H new ATOM 765 N GLU A 50 7.633 8.095 1.687 1.00 0.01 N ATOM 766 CA GLU A 50 8.416 9.335 1.427 1.00 0.01 C ATOM 767 C GLU A 50 9.092 9.847 2.699 1.00 0.01 C ATOM 768 O GLU A 50 10.166 10.415 2.634 1.00 0.02 O ATOM 769 CB GLU A 50 7.462 10.407 0.901 1.00 0.02 C ATOM 770 CG GLU A 50 8.270 11.562 0.303 1.00 0.01 C ATOM 771 CD GLU A 50 7.315 12.610 -0.272 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.782 13.385 0.503 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.134 12.621 -1.479 1.00 0.01 O ATOM 0 H GLU A 50 6.625 8.200 1.575 1.00 0.01 H new ATOM 0 HA GLU A 50 9.195 9.111 0.698 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.802 9.982 0.145 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.828 10.773 1.709 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.902 12.012 1.068 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.932 11.190 -0.479 1.00 0.01 H new ATOM 780 N ARG A 51 8.477 9.686 3.851 1.00 0.02 N ATOM 781 CA ARG A 51 9.098 10.207 5.118 1.00 0.02 C ATOM 782 C ARG A 51 9.232 9.054 6.137 1.00 0.01 C ATOM 783 O ARG A 51 8.531 8.062 6.044 1.00 0.02 O ATOM 784 CB ARG A 51 8.171 11.307 5.688 1.00 0.02 C ATOM 785 CG ARG A 51 8.643 12.693 5.225 1.00 0.01 C ATOM 786 CD ARG A 51 7.540 13.722 5.485 1.00 0.02 C ATOM 787 NE ARG A 51 8.068 15.091 5.225 1.00 0.02 N ATOM 788 CZ ARG A 51 7.243 16.091 5.086 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.955 15.892 5.173 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.702 17.292 4.857 1.00 0.01 N ATOM 0 H ARG A 51 7.578 9.220 3.969 1.00 0.02 H new ATOM 0 HA ARG A 51 10.089 10.616 4.919 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.146 11.135 5.359 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.168 11.261 6.777 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.551 12.976 5.757 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.890 12.669 4.164 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.683 13.523 4.842 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.191 13.645 6.515 1.00 0.02 H new ATOM 0 HE ARG A 51 9.074 15.246 5.156 1.00 0.02 H new ATOM 0 HH11 ARG A 51 5.595 14.954 5.350 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.310 16.674 5.064 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.707 17.449 4.787 1.00 0.01 H new ATOM 0 HH22 ARG A 51 7.055 18.073 4.749 1.00 0.01 H new ATOM 804 N PRO A 52 10.130 9.186 7.104 1.00 0.02 N ATOM 805 CA PRO A 52 10.342 8.122 8.131 1.00 0.02 C ATOM 806 C PRO A 52 9.046 7.715 8.840 1.00 0.01 C ATOM 807 O PRO A 52 8.034 8.385 8.778 1.00 0.02 O ATOM 808 CB PRO A 52 11.342 8.782 9.110 1.00 0.02 C ATOM 809 CG PRO A 52 11.586 10.232 8.651 1.00 0.01 C ATOM 810 CD PRO A 52 10.997 10.396 7.241 1.00 0.01 C ATOM 0 HA PRO A 52 10.706 7.191 7.696 1.00 0.02 H new ATOM 0 HB2 PRO A 52 10.945 8.767 10.125 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.280 8.226 9.126 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.118 10.933 9.342 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.653 10.454 8.645 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.423 11.318 7.147 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.775 10.425 6.478 1.00 0.01 H new ATOM 818 N ASN A 53 9.113 6.614 9.540 1.00 0.02 N ATOM 819 CA ASN A 53 7.942 6.120 10.309 1.00 0.02 C ATOM 820 C ASN A 53 6.783 5.761 9.379 1.00 0.01 C ATOM 821 O ASN A 53 5.625 5.937 9.703 1.00 0.01 O ATOM 822 CB ASN A 53 7.504 7.199 11.304 1.00 0.01 C ATOM 823 CG ASN A 53 8.739 7.867 11.911 1.00 0.02 C ATOM 824 OD1 ASN A 53 9.832 7.343 11.824 1.00 0.02 O ATOM 825 ND2 ASN A 53 8.612 9.011 12.529 1.00 0.01 N ATOM 0 H ASN A 53 9.946 6.029 9.610 1.00 0.02 H new ATOM 0 HA ASN A 53 8.230 5.216 10.846 1.00 0.02 H new ATOM 0 HB2 ASN A 53 6.886 7.943 10.801 1.00 0.01 H new ATOM 0 HB3 ASN A 53 6.893 6.756 12.091 1.00 0.01 H new ATOM 0 HD21 ASN A 53 9.430 9.463 12.938 1.00 0.01 H new ATOM 0 HD22 ASN A 53 7.695 9.452 12.603 1.00 0.01 H new ATOM 832 N PHE A 54 7.102 5.226 8.230 1.00 0.02 N ATOM 833 CA PHE A 54 6.051 4.809 7.263 1.00 0.01 C ATOM 834 C PHE A 54 4.985 5.896 7.120 1.00 0.01 C ATOM 835 O PHE A 54 3.803 5.647 7.242 1.00 0.02 O ATOM 836 CB PHE A 54 5.417 3.502 7.757 1.00 1.78 C ATOM 837 CG PHE A 54 6.488 2.636 8.385 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.600 2.245 7.628 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.373 2.227 9.722 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.595 1.447 8.206 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.369 1.430 10.298 1.00 3.32 C ATOM 842 CZ PHE A 54 8.478 1.039 9.541 1.00 3.39 C ATOM 0 H PHE A 54 8.059 5.059 7.919 1.00 0.02 H new ATOM 0 HA PHE A 54 6.502 4.654 6.283 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.633 3.716 8.483 1.00 1.78 H new ATOM 0 HB3 PHE A 54 4.947 2.975 6.927 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.690 2.559 6.599 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.516 2.527 10.307 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.453 1.146 7.623 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.281 1.117 11.328 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.245 0.422 9.986 1.00 3.39 H new ATOM 852 N SER A 55 5.416 7.108 6.857 1.00 0.02 N ATOM 853 CA SER A 55 4.457 8.251 6.698 1.00 0.02 C ATOM 854 C SER A 55 4.700 8.956 5.361 1.00 0.01 C ATOM 855 O SER A 55 5.721 8.771 4.728 1.00 0.01 O ATOM 856 CB SER A 55 4.671 9.245 7.840 1.00 1.90 C ATOM 857 OG SER A 55 5.897 9.932 7.636 1.00 2.33 O ATOM 0 H SER A 55 6.399 7.357 6.745 1.00 0.02 H new ATOM 0 HA SER A 55 3.436 7.871 6.720 1.00 0.02 H new ATOM 0 HB2 SER A 55 3.845 9.955 7.880 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.688 8.721 8.796 1.00 1.90 H new ATOM 0 HG SER A 55 6.630 9.420 8.038 1.00 2.33 H new ATOM 863 N GLY A 56 3.761 9.753 4.916 1.00 0.02 N ATOM 864 CA GLY A 56 3.922 10.461 3.609 1.00 0.02 C ATOM 865 C GLY A 56 3.393 9.578 2.473 1.00 0.02 C ATOM 866 O GLY A 56 2.629 8.662 2.697 1.00 0.00 O ATOM 0 H GLY A 56 2.886 9.944 5.404 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.382 11.407 3.628 1.00 0.02 H new ATOM 0 HA3 GLY A 56 4.973 10.697 3.440 1.00 0.02 H new ATOM 870 N HIS A 57 3.773 9.853 1.253 1.00 0.02 N ATOM 871 CA HIS A 57 3.266 9.034 0.110 1.00 0.02 C ATOM 872 C HIS A 57 3.767 7.594 0.234 1.00 0.01 C ATOM 873 O HIS A 57 4.910 7.363 0.573 1.00 0.01 O ATOM 874 CB HIS A 57 3.766 9.636 -1.204 1.00 0.00 C ATOM 875 CG HIS A 57 3.492 11.115 -1.219 1.00 0.01 C ATOM 876 ND1 HIS A 57 2.445 11.681 -0.509 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.123 12.158 -1.850 1.00 0.01 C ATOM 878 CE1 HIS A 57 2.476 13.008 -0.728 1.00 0.02 C ATOM 879 NE2 HIS A 57 3.479 13.353 -1.538 1.00 0.01 N ATOM 0 H HIS A 57 4.411 10.607 0.998 1.00 0.02 H new ATOM 0 HA HIS A 57 2.176 9.034 0.125 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.835 9.453 -1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.270 9.156 -2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.987 12.066 -2.491 1.00 0.01 H new ATOM 0 HE1 HIS A 57 1.774 13.709 -0.300 1.00 0.02 H new ATOM 0 HE2 HIS A 57 3.722 14.290 -1.859 1.00 0.01 H new ATOM 887 N MET A 58 2.916 6.630 -0.050 1.00 0.02 N ATOM 888 CA MET A 58 3.323 5.186 0.039 1.00 0.02 C ATOM 889 C MET A 58 3.176 4.520 -1.337 1.00 0.01 C ATOM 890 O MET A 58 2.208 4.734 -2.040 1.00 0.01 O ATOM 891 CB MET A 58 2.421 4.470 1.046 1.00 2.61 C ATOM 892 CG MET A 58 0.985 4.433 0.520 1.00 3.46 C ATOM 893 SD MET A 58 -0.145 4.007 1.869 1.00 4.50 S ATOM 894 CE MET A 58 0.205 2.233 1.906 1.00 5.01 C ATOM 0 H MET A 58 1.951 6.784 -0.341 1.00 0.02 H new ATOM 0 HA MET A 58 4.362 5.122 0.362 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.782 3.456 1.215 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.453 4.984 2.007 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.716 5.402 0.099 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.900 3.702 -0.284 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.422 1.754 2.658 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.006 1.800 0.928 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.254 2.074 2.154 1.00 5.01 H new ATOM 904 N TYR A 59 4.136 3.714 -1.722 1.00 0.02 N ATOM 905 CA TYR A 59 4.081 3.021 -3.055 1.00 0.01 C ATOM 906 C TYR A 59 4.459 1.540 -2.897 1.00 0.01 C ATOM 907 O TYR A 59 5.366 1.190 -2.169 1.00 0.02 O ATOM 908 CB TYR A 59 5.071 3.682 -4.013 1.00 0.01 C ATOM 909 CG TYR A 59 4.604 5.079 -4.341 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.705 5.287 -5.391 1.00 0.01 C ATOM 911 CD2 TYR A 59 5.073 6.167 -3.595 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.274 6.584 -5.698 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.642 7.464 -3.901 1.00 0.01 C ATOM 914 CZ TYR A 59 3.743 7.672 -4.953 1.00 0.01 C ATOM 915 OH TYR A 59 3.318 8.950 -5.254 1.00 0.01 O ATOM 0 H TYR A 59 4.965 3.503 -1.166 1.00 0.02 H new ATOM 0 HA TYR A 59 3.068 3.097 -3.450 1.00 0.01 H new ATOM 0 HB2 TYR A 59 6.062 3.716 -3.561 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.157 3.093 -4.926 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.343 4.447 -5.966 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.767 6.006 -2.783 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.580 6.744 -6.510 1.00 0.02 H new ATOM 0 HE2 TYR A 59 5.003 8.303 -3.325 1.00 0.01 H new ATOM 0 HH TYR A 59 3.738 9.588 -4.640 1.00 0.01 H new ATOM 925 N ILE A 60 3.760 0.674 -3.594 1.00 0.02 N ATOM 926 CA ILE A 60 4.047 -0.796 -3.527 1.00 0.01 C ATOM 927 C ILE A 60 5.005 -1.164 -4.669 1.00 0.01 C ATOM 928 O ILE A 60 4.785 -0.793 -5.805 1.00 0.01 O ATOM 929 CB ILE A 60 2.736 -1.593 -3.690 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.589 -0.926 -2.906 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.936 -3.026 -3.186 1.00 1.21 C ATOM 932 CD1 ILE A 60 1.854 -0.979 -1.396 1.00 1.72 C ATOM 0 H ILE A 60 2.992 0.928 -4.215 1.00 0.02 H new ATOM 0 HA ILE A 60 4.496 -1.038 -2.564 1.00 0.01 H new ATOM 0 HB ILE A 60 2.471 -1.609 -4.747 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.481 0.111 -3.224 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.648 -1.428 -3.132 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.008 -3.586 -3.303 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.725 -3.508 -3.763 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.217 -3.005 -2.133 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.030 -0.502 -0.865 1.00 1.72 H new ATOM 0 HD12 ILE A 60 1.938 -2.018 -1.078 1.00 1.72 H new ATOM 0 HD13 ILE A 60 2.783 -0.455 -1.171 1.00 1.72 H new ATOM 944 N LEU A 61 6.075 -1.868 -4.373 1.00 0.01 N ATOM 945 CA LEU A 61 7.071 -2.236 -5.439 1.00 0.01 C ATOM 946 C LEU A 61 7.217 -3.783 -5.543 1.00 0.01 C ATOM 947 O LEU A 61 7.784 -4.395 -4.657 1.00 0.00 O ATOM 948 CB LEU A 61 8.442 -1.611 -5.049 1.00 0.01 C ATOM 949 CG LEU A 61 8.893 -0.573 -6.094 1.00 0.02 C ATOM 950 CD1 LEU A 61 10.039 0.260 -5.521 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.379 -1.285 -7.360 1.00 0.01 C ATOM 0 H LEU A 61 6.303 -2.205 -3.438 1.00 0.01 H new ATOM 0 HA LEU A 61 6.733 -1.860 -6.405 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.364 -1.137 -4.070 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.193 -2.397 -4.964 1.00 0.01 H new ATOM 0 HG LEU A 61 8.050 0.073 -6.341 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.359 0.995 -6.259 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.701 0.773 -4.621 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.875 -0.394 -5.273 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.696 -0.545 -8.095 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.219 -1.934 -7.113 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.568 -1.883 -7.775 1.00 0.01 H new ATOM 963 N PRO A 62 6.756 -4.419 -6.616 1.00 0.02 N ATOM 964 CA PRO A 62 6.937 -5.894 -6.760 1.00 0.01 C ATOM 965 C PRO A 62 8.375 -6.211 -7.206 1.00 0.00 C ATOM 966 O PRO A 62 9.124 -5.327 -7.564 1.00 0.02 O ATOM 967 CB PRO A 62 5.915 -6.247 -7.851 1.00 1.47 C ATOM 968 CG PRO A 62 5.551 -4.946 -8.593 1.00 1.29 C ATOM 969 CD PRO A 62 6.020 -3.753 -7.734 1.00 0.82 C ATOM 0 HA PRO A 62 6.786 -6.457 -5.839 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.332 -6.978 -8.544 1.00 1.47 H new ATOM 0 HB3 PRO A 62 5.026 -6.697 -7.410 1.00 1.47 H new ATOM 0 HG2 PRO A 62 6.029 -4.920 -9.572 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.475 -4.893 -8.762 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.664 -3.078 -8.297 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.180 -3.162 -7.370 1.00 0.82 H new ATOM 977 N GLN A 63 8.770 -7.455 -7.186 1.00 0.02 N ATOM 978 CA GLN A 63 10.162 -7.804 -7.604 1.00 0.00 C ATOM 979 C GLN A 63 10.462 -7.238 -8.995 1.00 0.00 C ATOM 980 O GLN A 63 9.619 -7.255 -9.871 1.00 0.02 O ATOM 981 CB GLN A 63 10.305 -9.327 -7.641 1.00 1.27 C ATOM 982 CG GLN A 63 9.898 -9.912 -6.286 1.00 1.67 C ATOM 983 CD GLN A 63 10.122 -11.426 -6.296 1.00 2.43 C ATOM 984 OE1 GLN A 63 11.024 -11.913 -6.946 1.00 4.25 O ATOM 985 NE2 GLN A 63 9.333 -12.194 -5.596 1.00 3.04 N ATOM 0 H GLN A 63 8.192 -8.245 -6.899 1.00 0.02 H new ATOM 0 HA GLN A 63 10.864 -7.375 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.679 -9.742 -8.431 1.00 1.27 H new ATOM 0 HB3 GLN A 63 11.334 -9.601 -7.873 1.00 1.27 H new ATOM 0 HG2 GLN A 63 10.483 -9.452 -5.489 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.851 -9.690 -6.082 1.00 1.67 H new ATOM 0 HE21 GLN A 63 8.575 -11.784 -5.050 1.00 3.04 H new ATOM 0 HE22 GLN A 63 9.474 -13.204 -5.595 1.00 3.04 H new ATOM 994 N GLY A 64 11.657 -6.739 -9.217 1.00 0.02 N ATOM 995 CA GLY A 64 11.984 -6.187 -10.567 1.00 0.01 C ATOM 996 C GLY A 64 13.114 -5.155 -10.469 1.00 0.02 C ATOM 997 O GLY A 64 13.665 -4.910 -9.414 1.00 0.02 O ATOM 0 H GLY A 64 12.409 -6.691 -8.530 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.280 -6.996 -11.235 1.00 0.01 H new ATOM 0 HA3 GLY A 64 11.098 -5.724 -11.001 1.00 0.01 H new ATOM 1001 N GLU A 65 13.464 -4.552 -11.578 1.00 0.02 N ATOM 1002 CA GLU A 65 14.562 -3.531 -11.588 1.00 0.02 C ATOM 1003 C GLU A 65 14.010 -2.185 -12.057 1.00 0.02 C ATOM 1004 O GLU A 65 13.358 -2.087 -13.079 1.00 0.02 O ATOM 1005 CB GLU A 65 15.655 -3.988 -12.555 1.00 0.77 C ATOM 1006 CG GLU A 65 16.794 -2.964 -12.561 1.00 0.49 C ATOM 1007 CD GLU A 65 18.008 -3.554 -13.283 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.919 -4.690 -13.716 1.00 0.96 O ATOM 1009 OE2 GLU A 65 19.005 -2.860 -13.388 1.00 0.71 O ATOM 0 H GLU A 65 13.033 -4.724 -12.486 1.00 0.02 H new ATOM 0 HA GLU A 65 14.970 -3.424 -10.583 1.00 0.02 H new ATOM 0 HB2 GLU A 65 16.033 -4.966 -12.257 1.00 0.77 H new ATOM 0 HB3 GLU A 65 15.245 -4.097 -13.559 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.472 -2.049 -13.058 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.061 -2.695 -11.539 1.00 0.49 H new ATOM 1016 N TYR A 66 14.293 -1.140 -11.317 1.00 0.02 N ATOM 1017 CA TYR A 66 13.825 0.229 -11.693 1.00 0.02 C ATOM 1018 C TYR A 66 15.057 1.146 -11.810 1.00 0.02 C ATOM 1019 O TYR A 66 15.484 1.726 -10.829 1.00 0.02 O ATOM 1020 CB TYR A 66 12.911 0.756 -10.583 1.00 0.01 C ATOM 1021 CG TYR A 66 11.690 -0.131 -10.485 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.800 -1.414 -9.935 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.449 0.327 -10.944 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.672 -2.238 -9.848 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.321 -0.499 -10.857 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.431 -1.781 -10.308 1.00 0.02 C ATOM 1027 OH TYR A 66 8.321 -2.594 -10.220 1.00 0.01 O ATOM 0 H TYR A 66 14.837 -1.180 -10.455 1.00 0.02 H new ATOM 0 HA TYR A 66 13.283 0.204 -12.638 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.443 0.769 -9.632 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.614 1.783 -10.796 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.756 -1.768 -9.578 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.361 1.318 -11.365 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.759 -3.228 -9.425 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.365 -0.146 -11.214 1.00 0.02 H new ATOM 0 HH TYR A 66 7.541 -2.124 -10.583 1.00 0.01 H new ATOM 1037 N PRO A 67 15.639 1.279 -12.988 1.00 0.01 N ATOM 1038 CA PRO A 67 16.839 2.143 -13.160 1.00 0.02 C ATOM 1039 C PRO A 67 16.562 3.639 -12.936 1.00 0.02 C ATOM 1040 O PRO A 67 17.471 4.444 -12.975 1.00 0.02 O ATOM 1041 CB PRO A 67 17.259 1.863 -14.622 1.00 0.02 C ATOM 1042 CG PRO A 67 16.331 0.775 -15.193 1.00 0.02 C ATOM 1043 CD PRO A 67 15.167 0.573 -14.212 1.00 0.01 C ATOM 0 HA PRO A 67 17.609 1.915 -12.423 1.00 0.02 H new ATOM 0 HB2 PRO A 67 17.189 2.773 -15.218 1.00 0.02 H new ATOM 0 HB3 PRO A 67 18.298 1.535 -14.662 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.955 1.072 -16.172 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.878 -0.158 -15.330 1.00 0.02 H new ATOM 0 HD2 PRO A 67 14.239 1.000 -14.592 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.977 -0.483 -14.022 1.00 0.01 H new ATOM 1051 N GLU A 68 15.338 4.034 -12.680 1.00 0.01 N ATOM 1052 CA GLU A 68 15.068 5.481 -12.439 1.00 0.01 C ATOM 1053 C GLU A 68 13.774 5.589 -11.626 1.00 0.03 C ATOM 1054 O GLU A 68 12.912 4.733 -11.675 1.00 0.02 O ATOM 1055 CB GLU A 68 14.895 6.219 -13.769 1.00 0.69 C ATOM 1056 CG GLU A 68 16.238 6.299 -14.501 1.00 1.09 C ATOM 1057 CD GLU A 68 16.146 7.328 -15.629 1.00 1.35 C ATOM 1058 OE1 GLU A 68 15.671 8.424 -15.371 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.550 7.004 -16.734 1.00 2.02 O ATOM 0 H GLU A 68 14.524 3.422 -12.628 1.00 0.01 H new ATOM 0 HA GLU A 68 15.903 5.930 -11.902 1.00 0.01 H new ATOM 0 HB2 GLU A 68 14.163 5.701 -14.389 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.508 7.222 -13.590 1.00 0.69 H new ATOM 0 HG2 GLU A 68 17.028 6.578 -13.804 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.502 5.322 -14.907 1.00 1.09 H new ATOM 1066 N TYR A 69 13.667 6.622 -10.842 1.00 0.02 N ATOM 1067 CA TYR A 69 12.477 6.780 -9.958 1.00 0.02 C ATOM 1068 C TYR A 69 11.165 6.839 -10.745 1.00 0.01 C ATOM 1069 O TYR A 69 10.156 6.305 -10.326 1.00 0.01 O ATOM 1070 CB TYR A 69 12.647 8.032 -9.094 1.00 0.02 C ATOM 1071 CG TYR A 69 12.896 9.233 -9.977 1.00 0.02 C ATOM 1072 CD1 TYR A 69 14.186 9.499 -10.447 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.836 10.083 -10.322 1.00 0.02 C ATOM 1074 CE1 TYR A 69 14.417 10.613 -11.263 1.00 0.02 C ATOM 1075 CE2 TYR A 69 12.068 11.197 -11.136 1.00 0.02 C ATOM 1076 CZ TYR A 69 13.359 11.461 -11.609 1.00 0.02 C ATOM 1077 OH TYR A 69 13.591 12.560 -12.412 1.00 0.01 O ATOM 0 H TYR A 69 14.357 7.370 -10.774 1.00 0.02 H new ATOM 0 HA TYR A 69 12.415 5.898 -9.320 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.754 8.192 -8.490 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.479 7.898 -8.403 1.00 0.02 H new ATOM 0 HD1 TYR A 69 15.004 8.845 -10.181 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.840 9.878 -9.959 1.00 0.02 H new ATOM 0 HE1 TYR A 69 15.413 10.818 -11.626 1.00 0.02 H new ATOM 0 HE2 TYR A 69 11.252 11.853 -11.399 1.00 0.02 H new ATOM 0 HH TYR A 69 12.750 13.042 -12.557 1.00 0.01 H new ATOM 1087 N GLN A 70 11.160 7.495 -11.873 1.00 0.01 N ATOM 1088 CA GLN A 70 9.910 7.601 -12.680 1.00 0.02 C ATOM 1089 C GLN A 70 9.405 6.212 -13.102 1.00 0.01 C ATOM 1090 O GLN A 70 8.237 6.027 -13.377 1.00 0.02 O ATOM 1091 CB GLN A 70 10.196 8.424 -13.937 1.00 0.01 C ATOM 1092 CG GLN A 70 10.891 9.729 -13.545 1.00 0.01 C ATOM 1093 CD GLN A 70 11.066 10.608 -14.785 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.747 11.781 -14.762 1.00 0.01 O ATOM 1095 NE2 GLN A 70 11.561 10.086 -15.875 1.00 0.02 N ATOM 0 H GLN A 70 11.972 7.965 -12.273 1.00 0.01 H new ATOM 0 HA GLN A 70 9.145 8.081 -12.070 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.826 7.855 -14.621 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.266 8.639 -14.463 1.00 0.01 H new ATOM 0 HG2 GLN A 70 10.302 10.255 -12.794 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.862 9.516 -13.098 1.00 0.01 H new ATOM 0 HE21 GLN A 70 11.828 9.102 -15.893 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.680 10.662 -16.708 1.00 0.02 H new ATOM 1104 N ARG A 71 10.275 5.235 -13.152 1.00 0.01 N ATOM 1105 CA ARG A 71 9.807 3.874 -13.558 1.00 0.02 C ATOM 1106 C ARG A 71 8.998 3.271 -12.412 1.00 0.01 C ATOM 1107 O ARG A 71 8.272 2.313 -12.576 1.00 0.02 O ATOM 1108 CB ARG A 71 10.989 2.970 -13.919 1.00 0.34 C ATOM 1109 CG ARG A 71 10.456 1.730 -14.665 1.00 0.72 C ATOM 1110 CD ARG A 71 11.604 0.959 -15.326 1.00 1.04 C ATOM 1111 NE ARG A 71 11.063 0.136 -16.444 1.00 1.67 N ATOM 1112 CZ ARG A 71 11.874 -0.374 -17.331 1.00 2.47 C ATOM 1113 NH1 ARG A 71 13.159 -0.168 -17.233 1.00 2.54 N ATOM 1114 NH2 ARG A 71 11.400 -1.089 -18.315 1.00 3.42 N ATOM 0 H ARG A 71 11.268 5.316 -12.935 1.00 0.01 H new ATOM 0 HA ARG A 71 9.180 3.959 -14.446 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.700 3.510 -14.544 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.522 2.668 -13.018 1.00 0.34 H new ATOM 0 HG2 ARG A 71 9.928 1.079 -13.968 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.735 2.037 -15.422 1.00 0.72 H new ATOM 0 HD2 ARG A 71 12.356 1.654 -15.701 1.00 1.04 H new ATOM 0 HD3 ARG A 71 12.097 0.320 -14.594 1.00 1.04 H new ATOM 0 HE ARG A 71 10.059 -0.029 -16.516 1.00 1.67 H new ATOM 0 HH11 ARG A 71 13.529 0.391 -16.464 1.00 2.54 H new ATOM 0 HH12 ARG A 71 13.794 -0.566 -17.925 1.00 2.54 H new ATOM 0 HH21 ARG A 71 10.396 -1.249 -18.391 1.00 3.42 H new ATOM 0 HH22 ARG A 71 12.034 -1.487 -19.008 1.00 3.42 H new ATOM 1128 N TRP A 72 9.125 3.852 -11.249 1.00 0.02 N ATOM 1129 CA TRP A 72 8.381 3.368 -10.051 1.00 0.01 C ATOM 1130 C TRP A 72 7.280 4.396 -9.751 1.00 0.01 C ATOM 1131 O TRP A 72 6.616 4.351 -8.736 1.00 0.02 O ATOM 1132 CB TRP A 72 9.402 3.228 -8.893 1.00 0.02 C ATOM 1133 CG TRP A 72 8.817 3.582 -7.560 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.813 2.921 -6.941 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.211 4.661 -6.662 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.556 3.537 -5.728 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.392 4.613 -5.512 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.187 5.670 -6.739 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.537 5.533 -4.473 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.337 6.597 -5.695 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.512 6.528 -4.565 1.00 0.02 C ATOM 0 H TRP A 72 9.726 4.658 -11.076 1.00 0.02 H new ATOM 0 HA TRP A 72 7.908 2.398 -10.200 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.772 2.203 -8.862 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.260 3.871 -9.091 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.297 2.055 -7.329 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.836 3.232 -5.073 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.826 5.733 -7.607 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.899 5.476 -3.603 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 11.092 7.367 -5.764 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.630 7.244 -3.765 1.00 0.02 H new ATOM 1152 N MET A 73 7.092 5.321 -10.653 1.00 0.02 N ATOM 1153 CA MET A 73 6.049 6.373 -10.475 1.00 0.02 C ATOM 1154 C MET A 73 6.342 7.232 -9.235 1.00 0.01 C ATOM 1155 O MET A 73 5.460 7.847 -8.669 1.00 0.02 O ATOM 1156 CB MET A 73 4.673 5.712 -10.329 1.00 0.02 C ATOM 1157 CG MET A 73 4.537 4.572 -11.342 1.00 0.01 C ATOM 1158 SD MET A 73 2.791 4.132 -11.521 1.00 0.01 S ATOM 1159 CE MET A 73 2.741 2.869 -10.226 1.00 0.01 C ATOM 0 H MET A 73 7.625 5.393 -11.519 1.00 0.02 H new ATOM 0 HA MET A 73 6.058 7.020 -11.352 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.549 5.328 -9.316 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.886 6.449 -10.489 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.947 4.876 -12.305 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.110 3.706 -11.010 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.735 2.454 -10.161 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.447 2.074 -10.466 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.011 3.317 -9.270 1.00 0.01 H new ATOM 1169 N GLY A 74 7.580 7.271 -8.813 1.00 0.02 N ATOM 1170 CA GLY A 74 7.938 8.082 -7.616 1.00 0.02 C ATOM 1171 C GLY A 74 7.599 9.550 -7.867 1.00 0.01 C ATOM 1172 O GLY A 74 7.759 10.055 -8.961 1.00 0.01 O ATOM 0 H GLY A 74 8.358 6.775 -9.248 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.396 7.718 -6.743 1.00 0.02 H new ATOM 0 HA3 GLY A 74 9.001 7.977 -7.398 1.00 0.02 H new ATOM 1176 N LEU A 75 7.175 10.256 -6.852 1.00 0.02 N ATOM 1177 CA LEU A 75 6.878 11.706 -7.030 1.00 0.02 C ATOM 1178 C LEU A 75 8.208 12.473 -6.967 1.00 0.01 C ATOM 1179 O LEU A 75 8.392 13.481 -7.623 1.00 0.02 O ATOM 1180 CB LEU A 75 5.929 12.177 -5.919 1.00 0.55 C ATOM 1181 CG LEU A 75 5.758 13.701 -5.970 1.00 0.58 C ATOM 1182 CD1 LEU A 75 5.317 14.137 -7.374 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.695 14.118 -4.947 1.00 0.42 C ATOM 0 H LEU A 75 7.022 9.892 -5.911 1.00 0.02 H new ATOM 0 HA LEU A 75 6.393 11.887 -7.989 1.00 0.02 H new ATOM 0 HB2 LEU A 75 4.959 11.692 -6.031 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.323 11.881 -4.947 1.00 0.55 H new ATOM 0 HG LEU A 75 6.709 14.179 -5.736 1.00 0.58 H new ATOM 0 HD11 LEU A 75 5.199 15.220 -7.398 1.00 0.98 H new ATOM 0 HD12 LEU A 75 6.071 13.838 -8.102 1.00 0.98 H new ATOM 0 HD13 LEU A 75 4.367 13.663 -7.621 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.567 15.200 -4.976 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.749 13.634 -5.188 1.00 0.42 H new ATOM 0 HD23 LEU A 75 5.013 13.817 -3.949 1.00 0.42 H new ATOM 1195 N ASN A 76 9.149 11.979 -6.198 1.00 0.01 N ATOM 1196 CA ASN A 76 10.488 12.618 -6.084 1.00 0.02 C ATOM 1197 C ASN A 76 11.452 11.525 -5.612 1.00 0.02 C ATOM 1198 O ASN A 76 11.086 10.366 -5.558 1.00 0.02 O ATOM 1199 CB ASN A 76 10.439 13.760 -5.063 1.00 0.02 C ATOM 1200 CG ASN A 76 9.666 13.302 -3.824 1.00 0.02 C ATOM 1201 OD1 ASN A 76 9.964 12.159 -3.269 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 8.783 13.993 -3.355 1.00 0.02 N flip ATOM 0 H ASN A 76 9.036 11.138 -5.632 1.00 0.01 H new ATOM 0 HA ASN A 76 10.809 13.040 -7.036 1.00 0.02 H new ATOM 0 HB2 ASN A 76 11.450 14.057 -4.785 1.00 0.02 H new ATOM 0 HB3 ASN A 76 9.959 14.635 -5.502 1.00 0.02 H new ATOM 0 HD21 ASN A 76 8.550 14.886 -3.789 1.00 0.02 H new ATOM 0 HD22 ASN A 76 8.275 13.680 -2.528 1.00 0.02 H new ATOM 1209 N ASP A 77 12.674 11.857 -5.283 1.00 0.01 N ATOM 1210 CA ASP A 77 13.640 10.801 -4.836 1.00 0.01 C ATOM 1211 C ASP A 77 13.721 10.755 -3.305 1.00 0.01 C ATOM 1212 O ASP A 77 14.743 10.393 -2.751 1.00 0.01 O ATOM 1213 CB ASP A 77 15.028 11.125 -5.394 1.00 0.01 C ATOM 1214 CG ASP A 77 15.343 12.600 -5.153 1.00 0.01 C ATOM 1215 OD1 ASP A 77 15.424 12.988 -3.998 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.497 13.320 -6.127 1.00 0.01 O ATOM 0 H ASP A 77 13.046 12.807 -5.303 1.00 0.01 H new ATOM 0 HA ASP A 77 13.296 9.834 -5.202 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.780 10.499 -4.914 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.063 10.904 -6.461 1.00 0.01 H new ATOM 1221 N ARG A 78 12.676 11.134 -2.609 1.00 0.01 N ATOM 1222 CA ARG A 78 12.731 11.127 -1.110 1.00 0.01 C ATOM 1223 C ARG A 78 12.123 9.836 -0.547 1.00 0.02 C ATOM 1224 O ARG A 78 10.973 9.525 -0.781 1.00 0.02 O ATOM 1225 CB ARG A 78 11.968 12.337 -0.569 1.00 0.43 C ATOM 1226 CG ARG A 78 12.670 13.624 -1.010 1.00 0.80 C ATOM 1227 CD ARG A 78 12.049 14.820 -0.286 1.00 1.00 C ATOM 1228 NE ARG A 78 10.573 14.810 -0.486 1.00 1.30 N ATOM 1229 CZ ARG A 78 9.808 15.547 0.270 1.00 2.30 C ATOM 1230 NH1 ARG A 78 10.335 16.293 1.201 1.00 2.72 N ATOM 1231 NH2 ARG A 78 8.515 15.541 0.092 1.00 3.20 N ATOM 0 H ARG A 78 11.792 11.446 -3.010 1.00 0.01 H new ATOM 0 HA ARG A 78 13.774 11.178 -0.798 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.942 12.326 -0.936 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.918 12.292 0.519 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.735 13.564 -0.787 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.577 13.750 -2.089 1.00 0.80 H new ATOM 0 HD2 ARG A 78 12.283 14.776 0.778 1.00 1.00 H new ATOM 0 HD3 ARG A 78 12.472 15.749 -0.667 1.00 1.00 H new ATOM 0 HE ARG A 78 10.161 14.227 -1.214 1.00 1.30 H new ATOM 0 HH11 ARG A 78 11.346 16.300 1.338 1.00 2.72 H new ATOM 0 HH12 ARG A 78 9.736 16.870 1.792 1.00 2.72 H new ATOM 0 HH21 ARG A 78 8.103 14.960 -0.638 1.00 3.20 H new ATOM 0 HH22 ARG A 78 7.916 16.117 0.683 1.00 3.20 H new ATOM 1245 N LEU A 79 12.885 9.099 0.220 1.00 0.01 N ATOM 1246 CA LEU A 79 12.374 7.839 0.844 1.00 0.01 C ATOM 1247 C LEU A 79 12.973 7.737 2.248 1.00 0.01 C ATOM 1248 O LEU A 79 14.178 7.716 2.408 1.00 0.02 O ATOM 1249 CB LEU A 79 12.819 6.632 0.012 1.00 1.04 C ATOM 1250 CG LEU A 79 12.065 6.612 -1.324 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.618 5.477 -2.192 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.553 6.400 -1.088 1.00 2.61 C ATOM 0 H LEU A 79 13.855 9.320 0.444 1.00 0.01 H new ATOM 0 HA LEU A 79 11.285 7.852 0.889 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.893 6.679 -0.167 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.628 5.710 0.561 1.00 1.04 H new ATOM 0 HG LEU A 79 12.205 7.568 -1.829 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.088 5.455 -3.144 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.680 5.641 -2.372 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.480 4.526 -1.678 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.033 6.388 -2.046 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.394 5.450 -0.577 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.163 7.212 -0.474 1.00 2.61 H new ATOM 1264 N GLY A 80 12.151 7.717 3.273 1.00 0.02 N ATOM 1265 CA GLY A 80 12.683 7.671 4.677 1.00 0.02 C ATOM 1266 C GLY A 80 12.464 6.306 5.344 1.00 0.02 C ATOM 1267 O GLY A 80 13.108 5.992 6.325 1.00 0.01 O ATOM 0 H GLY A 80 11.134 7.731 3.199 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.749 7.900 4.666 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.197 8.445 5.272 1.00 0.02 H new ATOM 1271 N SER A 81 11.576 5.482 4.846 1.00 0.01 N ATOM 1272 CA SER A 81 11.358 4.155 5.504 1.00 0.01 C ATOM 1273 C SER A 81 10.778 3.156 4.507 1.00 0.02 C ATOM 1274 O SER A 81 10.165 3.518 3.523 1.00 0.01 O ATOM 1275 CB SER A 81 10.390 4.320 6.672 1.00 0.01 C ATOM 1276 OG SER A 81 9.182 4.904 6.202 1.00 0.01 O ATOM 0 H SER A 81 11.000 5.665 4.025 1.00 0.01 H new ATOM 0 HA SER A 81 12.316 3.780 5.865 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.186 3.352 7.129 1.00 0.01 H new ATOM 0 HB3 SER A 81 10.836 4.949 7.443 1.00 0.01 H new ATOM 0 HG SER A 81 9.252 5.880 6.247 1.00 0.01 H new ATOM 1282 N CYS A 82 10.972 1.889 4.769 1.00 0.02 N ATOM 1283 CA CYS A 82 10.436 0.838 3.852 1.00 0.01 C ATOM 1284 C CYS A 82 10.007 -0.389 4.662 1.00 0.01 C ATOM 1285 O CYS A 82 10.588 -0.705 5.681 1.00 0.01 O ATOM 1286 CB CYS A 82 11.522 0.435 2.852 1.00 0.01 C ATOM 1287 SG CYS A 82 12.148 1.911 2.013 1.00 0.02 S ATOM 0 H CYS A 82 11.480 1.536 5.580 1.00 0.02 H new ATOM 0 HA CYS A 82 9.573 1.233 3.316 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.335 -0.075 3.368 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.117 -0.267 2.123 1.00 0.01 H new ATOM 0 HG CYS A 82 11.382 2.925 2.289 1.00 0.02 H new ATOM 1293 N ARG A 83 8.999 -1.091 4.207 1.00 0.01 N ATOM 1294 CA ARG A 83 8.526 -2.312 4.936 1.00 0.01 C ATOM 1295 C ARG A 83 8.233 -3.421 3.927 1.00 0.01 C ATOM 1296 O ARG A 83 7.729 -3.183 2.847 1.00 0.01 O ATOM 1297 CB ARG A 83 7.224 -1.999 5.676 1.00 0.01 C ATOM 1298 CG ARG A 83 7.477 -0.916 6.726 1.00 0.01 C ATOM 1299 CD ARG A 83 6.283 -0.846 7.679 1.00 0.01 C ATOM 1300 NE ARG A 83 5.023 -0.749 6.891 1.00 0.01 N ATOM 1301 CZ ARG A 83 3.874 -0.980 7.465 1.00 0.01 C ATOM 1302 NH1 ARG A 83 3.830 -1.300 8.730 1.00 0.01 N ATOM 1303 NH2 ARG A 83 2.770 -0.893 6.776 1.00 0.01 N ATOM 0 H ARG A 83 8.480 -0.871 3.357 1.00 0.01 H new ATOM 0 HA ARG A 83 9.298 -2.623 5.640 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.464 -1.664 4.970 1.00 0.01 H new ATOM 0 HB3 ARG A 83 6.840 -2.900 6.154 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.388 -1.138 7.282 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.627 0.049 6.241 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.259 -1.731 8.315 1.00 0.01 H new ATOM 0 HD3 ARG A 83 6.380 0.017 8.337 1.00 0.01 H new ATOM 0 HE ARG A 83 5.058 -0.502 5.902 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.693 -1.369 9.269 1.00 0.01 H new ATOM 0 HH12 ARG A 83 2.932 -1.481 9.179 1.00 0.01 H new ATOM 0 HH21 ARG A 83 2.804 -0.644 5.787 1.00 0.01 H new ATOM 0 HH22 ARG A 83 1.873 -1.074 7.226 1.00 0.01 H new ATOM 1317 N ALA A 84 8.550 -4.640 4.272 1.00 0.01 N ATOM 1318 CA ALA A 84 8.294 -5.770 3.339 1.00 0.01 C ATOM 1319 C ALA A 84 6.817 -6.160 3.403 1.00 0.01 C ATOM 1320 O ALA A 84 6.249 -6.342 4.463 1.00 0.00 O ATOM 1321 CB ALA A 84 9.147 -6.973 3.745 1.00 0.43 C ATOM 0 H ALA A 84 8.976 -4.900 5.162 1.00 0.01 H new ATOM 0 HA ALA A 84 8.550 -5.464 2.325 1.00 0.01 H new ATOM 0 HB1 ALA A 84 8.959 -7.800 3.061 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.202 -6.701 3.704 1.00 0.43 H new ATOM 0 HB3 ALA A 84 8.889 -7.276 4.760 1.00 0.43 H new ATOM 1327 N VAL A 85 6.206 -6.319 2.264 1.00 0.01 N ATOM 1328 CA VAL A 85 4.777 -6.732 2.221 1.00 0.01 C ATOM 1329 C VAL A 85 4.721 -8.259 2.192 1.00 0.01 C ATOM 1330 O VAL A 85 5.300 -8.888 1.328 1.00 0.01 O ATOM 1331 CB VAL A 85 4.113 -6.164 0.965 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.634 -6.561 0.945 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.227 -4.636 0.976 1.00 1.12 C ATOM 0 H VAL A 85 6.640 -6.179 1.352 1.00 0.01 H new ATOM 0 HA VAL A 85 4.249 -6.354 3.096 1.00 0.01 H new ATOM 0 HB VAL A 85 4.610 -6.562 0.080 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.161 -6.156 0.050 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.549 -7.648 0.941 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.138 -6.162 1.830 1.00 1.25 H new ATOM 0 HG21 VAL A 85 3.754 -4.229 0.082 1.00 1.12 H new ATOM 0 HG22 VAL A 85 3.729 -4.240 1.861 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.279 -4.350 0.993 1.00 1.12 H new ATOM 1343 N HIS A 86 4.032 -8.871 3.117 1.00 0.01 N ATOM 1344 CA HIS A 86 3.949 -10.359 3.121 1.00 0.01 C ATOM 1345 C HIS A 86 2.727 -10.777 2.315 1.00 0.01 C ATOM 1346 O HIS A 86 1.654 -10.226 2.459 1.00 0.00 O ATOM 1347 CB HIS A 86 3.800 -10.860 4.559 1.00 0.21 C ATOM 1348 CG HIS A 86 4.925 -10.318 5.398 1.00 0.71 C ATOM 1349 ND1 HIS A 86 4.825 -9.117 6.085 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.179 -10.804 5.670 1.00 1.20 C ATOM 1351 CE1 HIS A 86 5.990 -8.924 6.731 1.00 1.77 C ATOM 1352 NE2 HIS A 86 6.850 -9.924 6.512 1.00 1.71 N ATOM 0 H HIS A 86 3.524 -8.405 3.869 1.00 0.01 H new ATOM 0 HA HIS A 86 4.853 -10.783 2.684 1.00 0.01 H new ATOM 0 HB2 HIS A 86 2.841 -10.542 4.969 1.00 0.21 H new ATOM 0 HB3 HIS A 86 3.810 -11.950 4.579 1.00 0.21 H new ATOM 0 HD2 HIS A 86 6.584 -11.730 5.288 1.00 1.20 H new ATOM 0 HE1 HIS A 86 6.204 -8.066 7.351 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.795 -10.021 6.883 1.00 1.71 H new ATOM 1360 N LEU A 87 2.885 -11.752 1.461 1.00 0.01 N ATOM 1361 CA LEU A 87 1.743 -12.225 0.625 1.00 0.01 C ATOM 1362 C LEU A 87 1.160 -13.475 1.291 1.00 0.01 C ATOM 1363 O LEU A 87 1.882 -14.364 1.696 1.00 0.01 O ATOM 1364 CB LEU A 87 2.262 -12.575 -0.798 1.00 0.67 C ATOM 1365 CG LEU A 87 3.587 -11.851 -1.096 1.00 1.25 C ATOM 1366 CD1 LEU A 87 4.079 -12.259 -2.485 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.400 -10.327 -1.062 1.00 1.34 C ATOM 0 H LEU A 87 3.764 -12.246 1.305 1.00 0.01 H new ATOM 0 HA LEU A 87 0.978 -11.454 0.540 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.405 -13.652 -0.882 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.515 -12.294 -1.541 1.00 0.67 H new ATOM 0 HG LEU A 87 4.314 -12.132 -0.334 1.00 1.25 H new ATOM 0 HD11 LEU A 87 5.018 -11.750 -2.703 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.236 -13.337 -2.513 1.00 1.63 H new ATOM 0 HD13 LEU A 87 3.334 -11.982 -3.231 1.00 1.63 H new ATOM 0 HD21 LEU A 87 4.351 -9.839 -1.276 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.665 -10.034 -1.812 1.00 1.34 H new ATOM 0 HD23 LEU A 87 3.051 -10.025 -0.074 1.00 1.34 H new ATOM 1379 N SER A 88 -0.144 -13.559 1.383 1.00 0.01 N ATOM 1380 CA SER A 88 -0.799 -14.755 1.993 1.00 0.01 C ATOM 1381 C SER A 88 -1.493 -15.551 0.890 1.00 0.01 C ATOM 1382 O SER A 88 -2.307 -15.004 0.174 1.00 0.01 O ATOM 1383 CB SER A 88 -1.843 -14.313 3.018 1.00 0.81 C ATOM 1384 OG SER A 88 -2.900 -13.635 2.352 1.00 1.08 O ATOM 0 H SER A 88 -0.790 -12.840 1.057 1.00 0.01 H new ATOM 0 HA SER A 88 -0.046 -15.368 2.489 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.232 -15.179 3.554 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.386 -13.658 3.760 1.00 0.81 H new ATOM 0 HG SER A 88 -2.704 -12.675 2.320 1.00 1.08 H new ATOM 1390 N SER A 89 -1.249 -16.832 0.763 1.00 0.01 N ATOM 1391 CA SER A 89 -1.977 -17.630 -0.273 1.00 0.01 C ATOM 1392 C SER A 89 -3.015 -18.461 0.477 1.00 0.01 C ATOM 1393 O SER A 89 -3.416 -18.090 1.562 1.00 0.01 O ATOM 1394 CB SER A 89 -0.995 -18.552 -1.001 1.00 0.43 C ATOM 1395 OG SER A 89 0.117 -17.791 -1.457 1.00 1.26 O ATOM 0 H SER A 89 -0.582 -17.357 1.328 1.00 0.01 H new ATOM 0 HA SER A 89 -2.447 -16.986 -1.016 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.658 -19.344 -0.332 1.00 0.43 H new ATOM 0 HB3 SER A 89 -1.489 -19.035 -1.844 1.00 0.43 H new ATOM 0 HG SER A 89 0.748 -18.380 -1.922 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.435 -19.590 -0.037 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.418 -20.437 0.713 1.00 0.00 C ATOM 1403 C GLY A 90 -5.543 -20.936 -0.190 1.00 0.00 C ATOM 1404 O GLY A 90 -5.836 -22.114 -0.222 1.00 0.01 O ATOM 0 H GLY A 90 -3.142 -19.962 -0.940 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.901 -21.289 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.841 -19.860 1.536 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.182 -20.071 -0.933 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.274 -20.554 -1.819 1.00 0.00 C ATOM 1410 C GLY A 91 -7.940 -19.396 -2.567 1.00 0.00 C ATOM 1411 O GLY A 91 -7.416 -18.921 -3.556 1.00 0.01 O ATOM 0 H GLY A 91 -5.998 -19.068 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.873 -21.270 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.020 -21.082 -1.225 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.088 -18.940 -2.120 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.790 -17.815 -2.823 1.00 2.31 C ATOM 1417 C GLN A 92 -9.956 -16.621 -1.878 1.00 1.91 C ATOM 1418 O GLN A 92 -10.582 -16.705 -0.842 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.154 -18.316 -3.308 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.777 -17.277 -4.244 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.134 -17.784 -4.734 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.818 -17.107 -5.474 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.556 -18.957 -4.347 1.00 4.43 N ATOM 0 H GLN A 92 -9.571 -19.299 -1.296 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.200 -17.485 -3.678 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.040 -19.267 -3.828 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.811 -18.495 -2.457 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.898 -16.328 -3.722 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.117 -17.093 -5.092 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.982 -19.526 -3.725 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.460 -19.305 -4.666 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.359 -15.511 -2.235 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.433 -14.304 -1.362 1.00 0.01 C ATOM 1434 C ALA A 93 -10.882 -13.801 -1.310 1.00 0.01 C ATOM 1435 O ALA A 93 -11.572 -13.793 -2.311 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.526 -13.215 -1.942 1.00 2.99 C ATOM 0 H ALA A 93 -8.823 -15.391 -3.095 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.105 -14.553 -0.353 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.573 -12.328 -1.311 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.499 -13.579 -1.980 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.859 -12.962 -2.949 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.376 -13.432 -0.135 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.824 -12.986 -0.030 1.00 0.01 C ATOM 1444 C LYS A 94 -13.001 -11.700 0.804 1.00 0.01 C ATOM 1445 O LYS A 94 -12.512 -11.576 1.944 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.649 -14.105 0.613 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.136 -13.870 0.347 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.947 -15.026 0.938 1.00 4.11 C ATOM 1449 CE LYS A 94 -17.432 -14.662 0.932 1.00 5.23 C ATOM 1450 NZ LYS A 94 -18.235 -15.836 1.383 1.00 6.36 N ATOM 0 H LYS A 94 -10.852 -13.420 0.740 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.165 -12.769 -1.042 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.346 -15.071 0.209 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.463 -14.136 1.686 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.451 -12.926 0.791 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.318 -13.795 -0.725 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.782 -15.934 0.358 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.616 -15.233 1.956 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -17.611 -13.811 1.590 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -17.739 -14.361 -0.070 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -19.091 -15.504 1.872 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -18.508 -16.408 0.558 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.667 -16.416 2.033 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.736 -10.742 0.238 1.00 0.00 N ATOM 1465 CA ILE A 95 -14.009 -9.446 0.941 1.00 0.01 C ATOM 1466 C ILE A 95 -15.513 -9.094 0.868 1.00 0.01 C ATOM 1467 O ILE A 95 -16.165 -9.293 -0.140 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.179 -8.342 0.257 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.727 -6.954 0.620 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.245 -8.528 -1.259 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.691 -5.881 0.274 1.00 1.09 C ATOM 0 H ILE A 95 -14.155 -10.817 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.733 -9.533 1.992 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.147 -8.414 0.600 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.654 -6.766 0.078 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.965 -6.913 1.683 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.659 -7.749 -1.747 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.841 -9.505 -1.524 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.282 -8.462 -1.589 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.085 -4.898 0.533 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.775 -6.065 0.836 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.475 -5.915 -0.794 1.00 1.09 H new ATOM 1483 N GLN A 96 -16.041 -8.513 1.929 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.479 -8.068 1.953 1.00 0.01 C ATOM 1485 C GLN A 96 -17.502 -6.574 2.317 1.00 0.01 C ATOM 1486 O GLN A 96 -16.745 -6.148 3.165 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.276 -8.891 2.977 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.387 -9.249 4.165 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.248 -9.840 5.284 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -18.936 -9.120 5.983 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -18.240 -11.130 5.484 1.00 2.05 N ATOM 0 H GLN A 96 -15.528 -8.326 2.791 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.942 -8.222 0.978 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.141 -8.323 3.318 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.655 -9.800 2.509 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.625 -9.966 3.860 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.865 -8.362 4.523 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -17.663 -11.733 4.898 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.811 -11.535 6.226 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.344 -5.766 1.699 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.366 -4.293 2.031 1.00 0.01 C ATOM 1502 C VAL A 97 -19.775 -3.839 2.455 1.00 0.01 C ATOM 1503 O VAL A 97 -20.776 -4.342 1.980 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.926 -3.508 0.795 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.560 -4.017 0.328 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.951 -3.705 -0.323 1.00 1.03 C ATOM 0 H VAL A 97 -19.011 -6.059 0.985 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.688 -4.108 2.864 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.855 -2.449 1.042 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.245 -3.458 -0.553 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.829 -3.880 1.125 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.632 -5.076 0.079 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.639 -3.146 -1.205 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.020 -4.764 -0.570 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.925 -3.345 0.009 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.847 -2.895 3.379 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.170 -2.395 3.888 1.00 0.01 C ATOM 1518 C PHE A 98 -21.320 -0.887 3.632 1.00 0.01 C ATOM 1519 O PHE A 98 -20.380 -0.107 3.770 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.263 -2.640 5.396 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.258 -4.124 5.681 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.082 -4.862 5.510 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.422 -4.762 6.133 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.068 -6.235 5.784 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.407 -6.135 6.412 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.229 -6.872 6.236 1.00 0.69 C ATOM 0 H PHE A 98 -19.034 -2.448 3.803 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.961 -2.930 3.362 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.425 -2.161 5.903 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -22.174 -2.189 5.790 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.183 -4.372 5.166 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.331 -4.194 6.266 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.160 -6.803 5.646 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.303 -6.625 6.763 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.217 -7.931 6.449 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.509 -0.489 3.251 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.779 0.948 2.949 1.00 0.01 C ATOM 1538 C GLU A 99 -22.727 1.825 4.209 1.00 0.01 C ATOM 1539 O GLU A 99 -22.351 2.979 4.134 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.164 1.076 2.314 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.399 2.528 1.894 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.622 2.600 0.977 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.228 1.566 0.747 1.00 0.02 O ATOM 1544 OE2 GLU A 99 -25.931 3.690 0.519 1.00 0.01 O ATOM 0 H GLU A 99 -23.312 -1.107 3.136 1.00 0.01 H new ATOM 0 HA GLU A 99 -22.002 1.294 2.267 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.241 0.419 1.448 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.931 0.762 3.022 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.553 3.152 2.774 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.521 2.916 1.378 1.00 0.01 H new ATOM 1551 N LYS A 100 -23.106 1.309 5.361 1.00 0.01 N ATOM 1552 CA LYS A 100 -23.084 2.146 6.613 1.00 0.01 C ATOM 1553 C LYS A 100 -22.057 1.590 7.603 1.00 0.01 C ATOM 1554 O LYS A 100 -21.576 0.481 7.466 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.467 2.147 7.267 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.513 2.635 6.260 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.914 2.309 6.781 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.956 2.721 5.738 1.00 2.84 C ATOM 1559 NZ LYS A 100 -28.049 4.208 5.687 1.00 3.18 N ATOM 0 H LYS A 100 -23.428 0.350 5.489 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.809 3.166 6.343 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.719 1.143 7.610 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.464 2.793 8.145 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.412 3.709 6.106 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.353 2.158 5.293 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.996 1.243 6.991 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -27.096 2.834 7.719 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.680 2.330 4.759 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -28.927 2.294 5.990 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.868 4.485 5.109 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -28.164 4.582 6.651 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -27.181 4.596 5.266 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.727 2.371 8.597 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.722 1.941 9.612 1.00 0.01 C ATOM 1575 C GLY A 101 -21.246 0.779 10.453 1.00 0.00 C ATOM 1576 O GLY A 101 -22.428 0.504 10.504 1.00 0.01 O ATOM 0 H GLY A 101 -22.117 3.301 8.750 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.800 1.644 9.111 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.476 2.781 10.262 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.350 0.112 11.128 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.730 -1.031 12.003 1.00 0.00 C ATOM 1582 C ASP A 102 -21.477 -2.103 11.211 1.00 0.00 C ATOM 1583 O ASP A 102 -22.401 -2.722 11.695 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.614 -0.522 13.143 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.947 0.688 13.800 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.762 0.877 13.582 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.634 1.404 14.508 1.00 0.01 O ATOM 0 H ASP A 102 -19.351 0.316 11.109 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.821 -1.478 12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.597 -0.247 12.761 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.768 -1.311 13.879 1.00 0.01 H new ATOM 1592 N PHE A 103 -21.048 -2.347 10.002 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.682 -3.402 9.167 1.00 0.01 C ATOM 1594 C PHE A 103 -23.195 -3.206 9.088 1.00 0.00 C ATOM 1595 O PHE A 103 -23.957 -4.105 9.387 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.382 -4.772 9.777 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.919 -4.852 10.147 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.955 -5.039 9.148 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.525 -4.739 11.485 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.599 -5.115 9.489 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -18.169 -4.815 11.825 1.00 0.01 C ATOM 1602 CZ PHE A 103 -17.206 -5.002 10.828 1.00 0.01 C ATOM 0 H PHE A 103 -20.276 -1.853 9.554 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.274 -3.337 8.158 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -22.000 -4.931 10.660 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.632 -5.560 9.067 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.258 -5.125 8.115 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.267 -4.593 12.256 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.856 -5.261 8.719 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.866 -4.729 12.858 1.00 0.01 H new ATOM 0 HZ PHE A 103 -16.160 -5.059 11.091 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.639 -2.051 8.655 1.00 0.00 N ATOM 1613 CA ASN A 104 -25.111 -1.798 8.519 1.00 0.01 C ATOM 1614 C ASN A 104 -25.379 -1.271 7.108 1.00 0.01 C ATOM 1615 O ASN A 104 -24.472 -0.872 6.407 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.557 -0.753 9.550 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.739 -1.422 10.914 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -24.777 -1.360 11.792 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 -26.771 -2.005 11.185 1.00 2.38 N flip ATOM 0 H ASN A 104 -23.043 -1.267 8.388 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.666 -2.720 8.691 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.815 0.043 9.620 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.492 -0.291 9.233 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -27.524 -2.054 10.499 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -26.884 -2.445 12.098 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.612 -1.270 6.676 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.919 -0.770 5.304 1.00 0.01 C ATOM 1628 C GLY A 105 -26.879 -1.940 4.326 1.00 0.01 C ATOM 1629 O GLY A 105 -26.923 -3.087 4.722 1.00 0.01 O ATOM 0 H GLY A 105 -27.418 -1.593 7.212 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.902 -0.299 5.287 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.196 -0.009 5.010 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.786 -1.675 3.054 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.733 -2.790 2.074 1.00 0.01 C ATOM 1635 C GLN A 106 -25.340 -3.420 2.113 1.00 0.01 C ATOM 1636 O GLN A 106 -24.337 -2.748 2.267 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.011 -2.247 0.672 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.062 -3.407 -0.326 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.664 -2.918 -1.643 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -27.321 -1.858 -2.126 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.555 -3.653 -2.251 1.00 0.01 N ATOM 0 H GLN A 106 -26.745 -0.738 2.653 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.483 -3.540 2.325 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.956 -1.703 0.662 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.233 -1.540 0.384 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -26.059 -3.800 -0.495 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -27.660 -4.223 0.079 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -28.844 -4.544 -1.846 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -28.962 -3.337 -3.131 1.00 0.01 H new ATOM 1650 N MET A 107 -25.286 -4.722 1.985 1.00 0.01 N ATOM 1651 CA MET A 107 -23.978 -5.449 2.019 1.00 0.01 C ATOM 1652 C MET A 107 -23.737 -6.129 0.674 1.00 0.01 C ATOM 1653 O MET A 107 -24.646 -6.639 0.047 1.00 0.01 O ATOM 1654 CB MET A 107 -24.020 -6.520 3.113 1.00 0.00 C ATOM 1655 CG MET A 107 -22.623 -7.116 3.309 1.00 0.01 C ATOM 1656 SD MET A 107 -22.740 -8.596 4.344 1.00 0.01 S ATOM 1657 CE MET A 107 -22.999 -9.783 3.005 1.00 0.01 C ATOM 0 H MET A 107 -26.102 -5.320 1.857 1.00 0.01 H new ATOM 0 HA MET A 107 -23.177 -4.739 2.223 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.374 -6.085 4.047 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.725 -7.305 2.840 1.00 0.00 H new ATOM 0 HG2 MET A 107 -22.184 -7.368 2.343 1.00 0.01 H new ATOM 0 HG3 MET A 107 -21.965 -6.383 3.776 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.100 -10.785 3.422 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.906 -9.524 2.459 1.00 0.01 H new ATOM 0 HE3 MET A 107 -22.147 -9.757 2.326 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.503 -6.151 0.241 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.145 -6.810 -1.051 1.00 0.00 C ATOM 1669 C TYR A 108 -20.930 -7.712 -0.807 1.00 0.01 C ATOM 1670 O TYR A 108 -19.997 -7.349 -0.115 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.795 -5.744 -2.093 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.064 -5.092 -2.597 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.879 -5.766 -3.517 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.427 -3.818 -2.143 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.053 -5.164 -3.984 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.603 -3.216 -2.612 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.416 -3.891 -3.531 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.574 -3.299 -3.995 1.00 2.48 O ATOM 0 H TYR A 108 -21.715 -5.733 0.736 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.984 -7.399 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.138 -4.993 -1.654 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.252 -6.196 -2.923 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.601 -6.750 -3.865 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.801 -3.299 -1.432 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.679 -5.683 -4.695 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.882 -2.232 -2.265 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.647 -2.392 -3.630 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.961 -8.902 -1.351 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.846 -9.882 -1.145 1.00 0.01 C ATOM 1690 C GLU A 109 -19.165 -10.175 -2.480 1.00 0.01 C ATOM 1691 O GLU A 109 -19.818 -10.398 -3.481 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.454 -11.167 -0.577 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.346 -12.057 -0.013 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.973 -13.271 0.672 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.516 -14.107 -0.030 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.902 -13.345 1.888 1.00 0.00 O ATOM 0 H GLU A 109 -21.722 -9.243 -1.938 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.102 -9.478 -0.459 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -21.173 -10.925 0.206 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.999 -11.699 -1.357 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.680 -12.380 -0.813 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.740 -11.496 0.699 1.00 0.01 H new ATOM 1703 N THR A 110 -17.850 -10.169 -2.519 1.00 0.01 N ATOM 1704 CA THR A 110 -17.156 -10.443 -3.814 1.00 0.00 C ATOM 1705 C THR A 110 -15.799 -11.126 -3.591 1.00 0.01 C ATOM 1706 O THR A 110 -15.102 -10.902 -2.607 1.00 0.01 O ATOM 1707 CB THR A 110 -16.932 -9.130 -4.568 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.370 -9.410 -5.843 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.977 -8.240 -3.771 1.00 1.69 C ATOM 0 H THR A 110 -17.239 -9.989 -1.722 1.00 0.01 H new ATOM 0 HA THR A 110 -17.790 -11.112 -4.396 1.00 0.00 H new ATOM 0 HB THR A 110 -17.884 -8.615 -4.695 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.227 -8.571 -6.329 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.817 -7.305 -4.308 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.409 -8.028 -2.793 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.023 -8.752 -3.643 1.00 1.69 H new ATOM 1717 N THR A 111 -15.438 -11.960 -4.538 1.00 0.00 N ATOM 1718 CA THR A 111 -14.141 -12.706 -4.485 1.00 0.01 C ATOM 1719 C THR A 111 -13.227 -12.246 -5.630 1.00 0.01 C ATOM 1720 O THR A 111 -12.198 -12.838 -5.881 1.00 0.01 O ATOM 1721 CB THR A 111 -14.415 -14.207 -4.634 1.00 0.01 C ATOM 1722 OG1 THR A 111 -14.490 -14.535 -6.013 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.740 -14.557 -3.954 1.00 0.01 C ATOM 0 H THR A 111 -16.002 -12.159 -5.364 1.00 0.00 H new ATOM 0 HA THR A 111 -13.652 -12.509 -3.531 1.00 0.01 H new ATOM 0 HB THR A 111 -13.609 -14.772 -4.166 1.00 0.01 H new ATOM 0 HG1 THR A 111 -14.260 -15.480 -6.138 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.933 -15.624 -4.061 1.00 0.01 H new ATOM 0 HG22 THR A 111 -15.684 -14.303 -2.896 1.00 0.01 H new ATOM 0 HG23 THR A 111 -16.548 -13.994 -4.420 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.618 -11.217 -6.349 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.796 -10.738 -7.515 1.00 0.01 C ATOM 1733 C GLU A 112 -12.393 -9.270 -7.337 1.00 0.01 C ATOM 1734 O GLU A 112 -12.968 -8.545 -6.546 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.626 -10.872 -8.795 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.289 -12.249 -8.832 1.00 1.61 C ATOM 1737 CD GLU A 112 -15.010 -12.435 -10.168 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -15.506 -11.452 -10.693 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -15.057 -13.557 -10.644 1.00 3.21 O ATOM 0 H GLU A 112 -14.472 -10.686 -6.180 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.891 -11.343 -7.575 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.385 -10.090 -8.832 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -12.989 -10.740 -9.670 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.539 -13.029 -8.700 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.997 -12.345 -8.009 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.419 -8.821 -8.090 1.00 0.01 N ATOM 1747 CA ASP A 113 -10.981 -7.396 -8.000 1.00 0.01 C ATOM 1748 C ASP A 113 -12.078 -6.490 -8.569 1.00 0.00 C ATOM 1749 O ASP A 113 -12.859 -6.900 -9.405 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.704 -7.209 -8.821 1.00 0.01 C ATOM 1751 CG ASP A 113 -8.720 -8.335 -8.499 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -8.956 -9.447 -8.942 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -7.745 -8.067 -7.815 1.00 0.00 O ATOM 0 H ASP A 113 -10.906 -9.386 -8.767 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.793 -7.137 -6.958 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.940 -7.211 -9.885 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.253 -6.242 -8.596 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.121 -5.250 -8.137 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.139 -4.283 -8.664 1.00 0.01 C ATOM 1760 C CYS A 114 -12.412 -3.016 -9.169 1.00 0.01 C ATOM 1761 O CYS A 114 -11.832 -2.304 -8.370 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.082 -3.885 -7.529 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.288 -2.685 -8.146 1.00 0.01 S ATOM 0 H CYS A 114 -11.489 -4.864 -7.436 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.702 -4.744 -9.476 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.594 -4.765 -7.141 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.515 -3.456 -6.703 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.355 -2.722 -7.405 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.437 -2.698 -10.456 1.00 0.01 N ATOM 1770 CA PRO A 115 -11.752 -1.464 -10.939 1.00 0.01 C ATOM 1771 C PRO A 115 -12.549 -0.202 -10.579 1.00 0.01 C ATOM 1772 O PRO A 115 -11.980 0.850 -10.348 1.00 0.01 O ATOM 1773 CB PRO A 115 -11.702 -1.688 -12.459 1.00 0.01 C ATOM 1774 CG PRO A 115 -12.741 -2.769 -12.808 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.115 -3.514 -11.510 1.00 0.01 C ATOM 0 HA PRO A 115 -10.770 -1.307 -10.492 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -11.921 -0.761 -12.989 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -10.705 -2.003 -12.766 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.626 -2.316 -13.255 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.334 -3.465 -13.542 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.194 -3.552 -11.361 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -12.758 -4.544 -11.517 1.00 0.01 H new ATOM 1783 N SER A 116 -13.854 -0.292 -10.547 1.00 0.01 N ATOM 1784 CA SER A 116 -14.689 0.903 -10.213 1.00 0.02 C ATOM 1785 C SER A 116 -15.880 0.455 -9.362 1.00 0.01 C ATOM 1786 O SER A 116 -16.792 -0.204 -9.829 1.00 0.00 O ATOM 1787 CB SER A 116 -15.190 1.552 -11.505 1.00 0.01 C ATOM 1788 OG SER A 116 -14.108 2.217 -12.146 1.00 0.01 O ATOM 0 H SER A 116 -14.380 -1.145 -10.738 1.00 0.01 H new ATOM 0 HA SER A 116 -14.095 1.628 -9.657 1.00 0.02 H new ATOM 0 HB2 SER A 116 -15.610 0.795 -12.167 1.00 0.01 H new ATOM 0 HB3 SER A 116 -15.988 2.261 -11.284 1.00 0.01 H new ATOM 0 HG SER A 116 -14.425 2.633 -12.975 1.00 0.01 H new ATOM 1794 N ILE A 117 -15.851 0.792 -8.102 1.00 0.01 N ATOM 1795 CA ILE A 117 -16.939 0.382 -7.170 1.00 0.01 C ATOM 1796 C ILE A 117 -18.267 1.021 -7.566 1.00 0.01 C ATOM 1797 O ILE A 117 -19.304 0.397 -7.471 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.567 0.824 -5.756 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.303 0.084 -5.314 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.711 0.495 -4.794 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.760 0.713 -4.030 1.00 1.83 C ATOM 0 H ILE A 117 -15.108 1.343 -7.672 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.053 -0.701 -7.215 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.388 1.899 -5.747 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.526 -0.970 -5.148 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.549 0.130 -6.100 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.442 0.812 -3.786 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.614 1.018 -5.110 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -17.894 -0.580 -4.800 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.860 0.184 -3.718 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.520 1.761 -4.211 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.512 0.644 -3.244 1.00 1.83 H new ATOM 1813 N MET A 118 -18.258 2.260 -7.974 1.00 0.02 N ATOM 1814 CA MET A 118 -19.547 2.913 -8.327 1.00 0.01 C ATOM 1815 C MET A 118 -20.138 2.253 -9.571 1.00 0.01 C ATOM 1816 O MET A 118 -21.332 2.084 -9.680 1.00 0.02 O ATOM 1817 CB MET A 118 -19.336 4.408 -8.580 1.00 0.24 C ATOM 1818 CG MET A 118 -20.692 5.117 -8.619 1.00 0.63 C ATOM 1819 SD MET A 118 -20.458 6.831 -9.150 1.00 1.20 S ATOM 1820 CE MET A 118 -20.648 6.549 -10.928 1.00 1.34 C ATOM 0 H MET A 118 -17.426 2.841 -8.077 1.00 0.02 H new ATOM 0 HA MET A 118 -20.240 2.795 -7.494 1.00 0.01 H new ATOM 0 HB2 MET A 118 -18.713 4.836 -7.795 1.00 0.24 H new ATOM 0 HB3 MET A 118 -18.809 4.557 -9.522 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.365 4.601 -9.304 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.157 5.090 -7.634 1.00 0.63 H new ATOM 0 HE1 MET A 118 -20.538 7.494 -11.460 1.00 1.34 H new ATOM 0 HE2 MET A 118 -19.885 5.850 -11.269 1.00 1.34 H new ATOM 0 HE3 MET A 118 -21.636 6.133 -11.127 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.330 1.874 -10.513 1.00 0.01 N ATOM 1831 CA GLU A 119 -19.888 1.235 -11.732 1.00 0.02 C ATOM 1832 C GLU A 119 -20.419 -0.157 -11.389 1.00 0.02 C ATOM 1833 O GLU A 119 -21.410 -0.604 -11.932 1.00 0.01 O ATOM 1834 CB GLU A 119 -18.790 1.115 -12.790 1.00 0.30 C ATOM 1835 CG GLU A 119 -18.345 2.511 -13.231 1.00 0.99 C ATOM 1836 CD GLU A 119 -19.442 3.150 -14.083 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -20.127 2.418 -14.777 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -19.578 4.361 -14.027 1.00 2.11 O ATOM 0 H GLU A 119 -18.315 1.977 -10.495 1.00 0.01 H new ATOM 0 HA GLU A 119 -20.704 1.846 -12.118 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -17.941 0.563 -12.386 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -19.158 0.552 -13.648 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -18.139 3.131 -12.359 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -17.418 2.446 -13.801 1.00 0.99 H new ATOM 1845 N GLN A 120 -19.731 -0.872 -10.539 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.158 -2.267 -10.214 1.00 0.01 C ATOM 1847 C GLN A 120 -21.303 -2.300 -9.191 1.00 0.01 C ATOM 1848 O GLN A 120 -22.252 -3.045 -9.345 1.00 0.01 O ATOM 1849 CB GLN A 120 -18.947 -3.038 -9.659 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.104 -4.542 -9.925 1.00 1.07 C ATOM 1851 CD GLN A 120 -20.464 -5.025 -9.417 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -20.796 -4.813 -8.173 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 -21.232 -5.602 -10.160 1.00 2.08 N flip ATOM 0 H GLN A 120 -18.892 -0.552 -10.055 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.527 -2.731 -11.128 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.031 -2.673 -10.124 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.854 -2.859 -8.588 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -19.014 -4.742 -10.993 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -18.305 -5.093 -9.429 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -20.973 -5.768 -11.132 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -22.136 -5.921 -9.812 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.186 -1.555 -8.116 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.232 -1.607 -7.036 1.00 0.01 C ATOM 1864 C PHE A 121 -23.052 -0.319 -6.946 1.00 0.01 C ATOM 1865 O PHE A 121 -23.937 -0.207 -6.122 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.539 -1.845 -5.697 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.778 -3.146 -5.745 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.433 -4.350 -5.460 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.416 -3.151 -6.067 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.726 -5.558 -5.499 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.708 -4.357 -6.105 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.364 -5.561 -5.821 1.00 0.01 C ATOM 0 H PHE A 121 -20.414 -0.913 -7.937 1.00 0.02 H new ATOM 0 HA PHE A 121 -22.920 -2.416 -7.281 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -20.859 -1.022 -5.477 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.276 -1.873 -4.894 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.484 -4.347 -5.210 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -18.911 -2.222 -6.287 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.232 -6.487 -5.281 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.657 -4.359 -6.353 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.819 -6.493 -5.850 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.778 0.658 -7.764 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.559 1.926 -7.687 1.00 0.01 C ATOM 1884 C HIS A 122 -23.396 2.546 -6.296 1.00 0.01 C ATOM 1885 O HIS A 122 -24.299 3.173 -5.781 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.036 1.632 -7.970 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.142 0.604 -9.064 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -24.285 0.594 -10.154 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.996 -0.454 -9.250 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -24.640 -0.439 -10.938 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.678 -1.112 -10.433 1.00 0.01 N ATOM 0 H HIS A 122 -22.051 0.635 -8.479 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.189 2.632 -8.431 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.525 1.269 -7.066 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.550 2.547 -8.265 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -26.795 -0.733 -8.579 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -24.146 -0.694 -11.864 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -26.138 -1.932 -10.830 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.240 2.376 -5.689 1.00 0.01 N ATOM 1900 CA LEU A 123 -21.994 2.956 -4.321 1.00 0.01 C ATOM 1901 C LEU A 123 -20.937 4.058 -4.436 1.00 0.02 C ATOM 1902 O LEU A 123 -19.935 3.904 -5.106 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.484 1.844 -3.369 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.657 1.207 -2.597 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.256 -0.188 -2.100 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.013 2.074 -1.379 1.00 0.01 C ATOM 0 H LEU A 123 -21.453 1.859 -6.082 1.00 0.01 H new ATOM 0 HA LEU A 123 -22.920 3.370 -3.922 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -20.961 1.079 -3.943 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.764 2.262 -2.666 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.515 1.133 -3.265 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.088 -0.633 -1.555 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.001 -0.818 -2.952 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.393 -0.105 -1.439 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.842 1.618 -0.838 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.148 2.149 -0.720 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.302 3.070 -1.714 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.158 5.173 -3.786 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.173 6.292 -3.856 1.00 0.00 C ATOM 1920 C ARG A 124 -19.161 6.184 -2.710 1.00 0.01 C ATOM 1921 O ARG A 124 -18.072 6.722 -2.780 1.00 0.01 O ATOM 1922 CB ARG A 124 -20.910 7.629 -3.747 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.108 7.630 -4.699 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.783 9.002 -4.672 1.00 2.92 C ATOM 1925 NE ARG A 124 -21.827 10.036 -5.156 1.00 3.54 N ATOM 1926 CZ ARG A 124 -22.262 11.218 -5.497 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.534 11.496 -5.412 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -21.422 12.123 -5.923 1.00 5.32 N ATOM 0 H ARG A 124 -21.979 5.356 -3.210 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.644 6.233 -4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.246 7.789 -2.722 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.236 8.449 -3.993 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.781 7.394 -5.712 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.819 6.858 -4.406 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.674 8.993 -5.300 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.109 9.239 -3.659 1.00 2.92 H new ATOM 0 HE ARG A 124 -20.832 9.820 -5.221 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.189 10.789 -5.079 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -23.873 12.420 -5.679 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -20.428 11.905 -5.989 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -21.760 13.047 -6.190 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.516 5.511 -1.643 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.585 5.390 -0.478 1.00 0.01 C ATOM 1944 C GLU A 125 -18.817 4.057 0.243 1.00 0.01 C ATOM 1945 O GLU A 125 -19.838 3.421 0.075 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.856 6.530 0.506 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.623 7.871 -0.191 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.579 8.989 0.852 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.544 9.129 1.585 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -17.582 9.688 0.898 1.00 0.02 O ATOM 0 H GLU A 125 -20.413 5.039 -1.528 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.558 5.437 -0.840 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -19.881 6.472 0.873 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.201 6.440 1.373 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.688 7.844 -0.750 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.419 8.062 -0.910 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.887 3.651 1.074 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.050 2.376 1.854 1.00 0.01 C ATOM 1959 C ILE A 126 -17.712 2.687 3.314 1.00 0.01 C ATOM 1960 O ILE A 126 -16.707 3.314 3.591 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.094 1.309 1.307 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.642 0.806 -0.032 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.996 0.137 2.293 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.623 -0.121 -0.695 1.00 1.70 C ATOM 0 H ILE A 126 -17.015 4.150 1.249 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.068 1.996 1.770 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.101 1.738 1.172 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.581 0.275 0.126 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.859 1.650 -0.687 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.315 -0.616 1.896 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.620 0.498 3.251 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.983 -0.304 2.433 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.019 -0.475 -1.647 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.695 0.423 -0.868 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.428 -0.973 -0.043 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.564 2.316 4.250 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.293 2.677 5.686 1.00 0.01 C ATOM 1978 C HIS A 127 -17.871 1.476 6.541 1.00 0.01 C ATOM 1979 O HIS A 127 -17.369 1.647 7.633 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.543 3.331 6.290 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.681 4.742 5.780 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.315 5.100 4.491 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -20.140 5.891 6.373 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.559 6.416 4.353 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.063 6.948 5.470 1.00 0.02 N ATOM 0 H HIS A 127 -19.421 1.788 4.086 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.454 3.373 5.689 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.429 2.752 6.029 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.473 3.333 7.378 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.506 5.964 7.387 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.370 6.975 3.448 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.333 7.919 5.627 1.00 0.02 H new ATOM 1993 N SER A 128 -18.027 0.270 6.065 1.00 0.01 N ATOM 1994 CA SER A 128 -17.580 -0.903 6.884 1.00 0.01 C ATOM 1995 C SER A 128 -17.246 -2.051 5.934 1.00 0.01 C ATOM 1996 O SER A 128 -17.785 -2.145 4.854 1.00 0.01 O ATOM 1997 CB SER A 128 -18.707 -1.308 7.849 1.00 0.01 C ATOM 1998 OG SER A 128 -18.336 -0.949 9.170 1.00 0.01 O ATOM 0 H SER A 128 -18.438 0.044 5.159 1.00 0.01 H new ATOM 0 HA SER A 128 -16.698 -0.650 7.472 1.00 0.01 H new ATOM 0 HB2 SER A 128 -19.637 -0.812 7.571 1.00 0.01 H new ATOM 0 HB3 SER A 128 -18.888 -2.381 7.787 1.00 0.01 H new ATOM 0 HG SER A 128 -18.175 0.017 9.214 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.346 -2.925 6.299 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.995 -4.029 5.370 1.00 0.01 C ATOM 2006 C CYS A 129 -15.319 -5.158 6.137 1.00 0.00 C ATOM 2007 O CYS A 129 -14.583 -4.933 7.081 1.00 0.01 O ATOM 2008 CB CYS A 129 -15.045 -3.497 4.305 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.365 -4.875 3.352 1.00 1.22 S ATOM 0 H CYS A 129 -15.847 -2.921 7.188 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.901 -4.412 4.901 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.573 -2.810 3.643 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.238 -2.933 4.773 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.292 -5.765 3.154 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.567 -6.380 5.733 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.955 -7.548 6.427 1.00 0.01 C ATOM 2017 C LYS A 130 -14.137 -8.358 5.420 1.00 0.01 C ATOM 2018 O LYS A 130 -14.653 -9.019 4.546 1.00 0.01 O ATOM 2019 CB LYS A 130 -16.082 -8.420 7.042 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.922 -8.515 8.567 1.00 0.80 C ATOM 2021 CD LYS A 130 -17.013 -9.420 9.142 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.691 -9.740 10.603 1.00 0.33 C ATOM 2023 NZ LYS A 130 -15.514 -10.650 10.662 1.00 1.41 N ATOM 0 H LYS A 130 -16.172 -6.616 4.946 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.294 -7.210 7.226 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -17.054 -7.991 6.799 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -16.056 -9.418 6.605 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.938 -8.912 8.815 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.987 -7.522 9.012 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.983 -8.928 9.071 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -17.079 -10.341 8.563 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -16.482 -8.821 11.151 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -17.551 -10.208 11.082 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -15.294 -10.869 11.655 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -15.730 -11.531 10.153 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -14.695 -10.187 10.219 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.849 -8.317 5.571 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.936 -9.087 4.685 1.00 0.01 C ATOM 2039 C VAL A 131 -11.405 -10.223 5.527 1.00 0.01 C ATOM 2040 O VAL A 131 -10.715 -9.983 6.507 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.776 -8.191 4.238 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -10.007 -8.874 3.107 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.322 -6.850 3.746 1.00 0.01 C ATOM 0 H VAL A 131 -12.376 -7.768 6.289 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.448 -9.450 3.794 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.107 -8.022 5.081 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.182 -8.235 2.790 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.613 -9.828 3.459 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.676 -9.047 2.264 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.495 -6.215 3.429 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.994 -7.018 2.905 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.866 -6.360 4.554 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.632 -11.466 5.136 1.00 0.01 N ATOM 2054 CA VAL A 132 -11.028 -12.583 5.926 1.00 0.01 C ATOM 2055 C VAL A 132 -10.678 -13.711 4.970 1.00 0.00 C ATOM 2056 O VAL A 132 -11.265 -14.773 5.012 1.00 0.01 O ATOM 2057 CB VAL A 132 -12.040 -13.089 6.956 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.353 -14.062 7.914 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.596 -11.904 7.748 1.00 1.98 C ATOM 0 H VAL A 132 -12.192 -11.742 4.329 1.00 0.01 H new ATOM 0 HA VAL A 132 -10.135 -12.234 6.444 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.855 -13.600 6.442 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -12.075 -14.422 8.647 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.956 -14.907 7.351 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.538 -13.552 8.428 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.317 -12.263 8.482 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.780 -11.394 8.260 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -13.087 -11.209 7.067 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.723 -13.504 4.128 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.310 -14.568 3.175 1.00 0.01 C ATOM 2071 C GLU A 133 -8.302 -13.927 2.221 1.00 0.01 C ATOM 2072 O GLU A 133 -8.682 -13.127 1.383 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.549 -15.125 2.420 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.801 -16.596 2.800 1.00 0.00 C ATOM 2075 CD GLU A 133 -12.210 -17.000 2.363 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -13.155 -16.397 2.848 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -12.321 -17.905 1.551 1.00 0.00 O ATOM 0 H GLU A 133 -9.198 -12.632 4.052 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.856 -15.416 3.687 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.427 -14.526 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.393 -15.044 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.062 -17.238 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.690 -16.729 3.876 1.00 0.00 H new ATOM 2084 N GLY A 134 -7.041 -14.248 2.342 1.00 0.01 N ATOM 2085 CA GLY A 134 -6.024 -13.633 1.439 1.00 0.01 C ATOM 2086 C GLY A 134 -5.827 -12.159 1.816 1.00 0.01 C ATOM 2087 O GLY A 134 -6.370 -11.683 2.795 1.00 0.01 O ATOM 0 H GLY A 134 -6.672 -14.908 3.026 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -5.079 -14.169 1.520 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.348 -13.714 0.401 1.00 0.01 H new ATOM 2091 N THR A 135 -5.051 -11.433 1.043 1.00 0.01 N ATOM 2092 CA THR A 135 -4.804 -9.981 1.338 1.00 0.01 C ATOM 2093 C THR A 135 -5.473 -9.127 0.259 1.00 0.01 C ATOM 2094 O THR A 135 -5.523 -9.506 -0.895 1.00 0.01 O ATOM 2095 CB THR A 135 -3.296 -9.714 1.338 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.641 -10.703 2.121 1.00 1.92 O ATOM 2097 CG2 THR A 135 -3.018 -8.330 1.928 1.00 2.30 C ATOM 0 H THR A 135 -4.574 -11.787 0.214 1.00 0.01 H new ATOM 0 HA THR A 135 -5.219 -9.728 2.314 1.00 0.01 H new ATOM 0 HB THR A 135 -2.922 -9.752 0.315 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.676 -10.534 2.120 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.944 -8.143 1.927 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.519 -7.571 1.327 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.392 -8.289 2.951 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.999 -7.982 0.632 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.690 -7.090 -0.360 1.00 0.01 C ATOM 2107 C TRP A 136 -6.142 -5.660 -0.265 1.00 0.01 C ATOM 2108 O TRP A 136 -5.819 -5.180 0.797 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.192 -7.066 -0.060 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.819 -8.349 -0.501 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.796 -9.509 0.197 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.566 -8.622 -1.722 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.484 -10.474 -0.516 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.976 -9.976 -1.706 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.926 -7.834 -2.832 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.715 -10.528 -2.752 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.669 -8.391 -3.887 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.062 -9.735 -3.844 1.00 0.01 C ATOM 0 H TRP A 136 -5.980 -7.624 1.587 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.511 -7.477 -1.363 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.356 -6.919 1.007 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.661 -6.227 -0.573 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.318 -9.657 1.154 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.612 -11.436 -0.201 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.630 -6.796 -2.873 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -11.017 -11.564 -2.716 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.938 -7.780 -4.735 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.634 -10.157 -4.657 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.075 -4.963 -1.373 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.597 -3.542 -1.359 1.00 0.00 C ATOM 2131 C ILE A 137 -6.749 -2.662 -1.834 1.00 0.01 C ATOM 2132 O ILE A 137 -7.456 -3.013 -2.752 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.427 -3.362 -2.333 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.347 -4.412 -2.053 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.829 -1.961 -2.159 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.101 -4.108 -2.896 1.00 1.69 C ATOM 0 H ILE A 137 -6.332 -5.319 -2.294 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.270 -3.275 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.790 -3.484 -3.353 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.091 -4.411 -0.994 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.724 -5.407 -2.289 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -2.997 -1.832 -2.851 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.593 -1.211 -2.366 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.472 -1.842 -1.136 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.334 -4.856 -2.695 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.363 -4.132 -3.954 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.720 -3.120 -2.639 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.911 -1.498 -1.242 1.00 0.01 N ATOM 2149 CA PHE A 138 -7.993 -0.549 -1.691 1.00 0.01 C ATOM 2150 C PHE A 138 -7.306 0.686 -2.277 1.00 0.01 C ATOM 2151 O PHE A 138 -6.285 1.118 -1.787 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.941 -0.200 -0.503 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.640 1.138 0.177 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.760 2.357 -0.520 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.277 1.155 1.531 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.506 3.568 0.133 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.029 2.369 2.181 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.141 3.575 1.481 1.00 2.49 C ATOM 0 H PHE A 138 -6.341 -1.162 -0.466 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.624 -1.003 -2.455 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.968 -0.185 -0.867 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.878 -0.994 0.241 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.049 2.356 -1.561 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.188 0.226 2.075 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.592 4.500 -0.407 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.751 2.375 3.225 1.00 2.01 H new ATOM 0 HZ PHE A 138 -7.945 4.511 1.983 1.00 2.49 H new ATOM 2168 N TYR A 139 -7.870 1.260 -3.318 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.271 2.483 -3.946 1.00 0.01 C ATOM 2170 C TYR A 139 -8.305 3.613 -3.940 1.00 0.01 C ATOM 2171 O TYR A 139 -9.499 3.380 -4.058 1.00 0.01 O ATOM 2172 CB TYR A 139 -6.863 2.176 -5.390 1.00 0.01 C ATOM 2173 CG TYR A 139 -5.949 0.971 -5.417 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.472 -0.305 -5.185 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.582 1.131 -5.676 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -5.631 -1.423 -5.209 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -3.739 0.013 -5.699 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.264 -1.264 -5.467 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.433 -2.365 -5.491 1.00 0.00 O ATOM 0 H TYR A 139 -8.727 0.929 -3.762 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.391 2.786 -3.379 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.749 1.986 -5.996 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.358 3.038 -5.826 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.527 -0.428 -4.987 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.178 2.116 -5.858 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.036 -2.408 -5.029 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -2.684 0.136 -5.896 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.516 -2.079 -5.685 1.00 0.00 H new ATOM 2189 N GLU A 140 -7.856 4.828 -3.747 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.795 5.983 -3.652 1.00 0.02 C ATOM 2191 C GLU A 140 -9.381 6.359 -5.017 1.00 0.01 C ATOM 2192 O GLU A 140 -10.487 6.856 -5.079 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.008 7.172 -3.103 1.00 0.01 C ATOM 2194 CG GLU A 140 -8.980 8.271 -2.668 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.200 9.422 -2.032 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.720 10.265 -2.773 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -8.095 9.440 -0.816 1.00 0.01 O ATOM 0 H GLU A 140 -6.870 5.069 -3.651 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.627 5.711 -3.002 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.396 6.857 -2.258 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.328 7.554 -3.864 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.545 8.632 -3.527 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.703 7.871 -1.957 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.676 6.148 -6.111 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.237 6.530 -7.454 1.00 0.02 C ATOM 2206 C LEU A 141 -9.442 5.255 -8.302 1.00 0.01 C ATOM 2207 O LEU A 141 -8.759 4.264 -8.105 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.229 7.465 -8.157 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.430 8.922 -7.682 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.144 9.721 -7.910 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.573 9.590 -8.460 1.00 1.24 C ATOM 0 H LEU A 141 -7.745 5.732 -6.132 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.194 7.038 -7.334 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.211 7.142 -7.941 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.360 7.406 -9.238 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.679 8.906 -6.621 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.289 10.748 -7.574 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.329 9.267 -7.347 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -6.897 9.718 -8.972 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -9.700 10.615 -8.112 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.335 9.595 -9.524 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.497 9.035 -8.298 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.367 5.276 -9.249 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.626 4.081 -10.104 1.00 0.01 C ATOM 2225 C PRO A 142 -9.361 3.566 -10.797 1.00 0.01 C ATOM 2226 O PRO A 142 -8.345 4.229 -10.874 1.00 0.01 O ATOM 2227 CB PRO A 142 -11.655 4.609 -11.132 1.00 0.01 C ATOM 2228 CG PRO A 142 -11.874 6.111 -10.874 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.218 6.472 -9.532 1.00 0.01 C ATOM 0 HA PRO A 142 -10.981 3.227 -9.528 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.293 4.448 -12.148 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.596 4.067 -11.039 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.439 6.702 -11.680 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -12.939 6.340 -10.850 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -10.624 7.383 -9.604 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -11.959 6.635 -8.750 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.462 2.377 -11.322 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.328 1.752 -12.053 1.00 0.01 C ATOM 2239 C ASN A 143 -7.104 1.604 -11.149 1.00 0.01 C ATOM 2240 O ASN A 143 -5.975 1.638 -11.597 1.00 0.01 O ATOM 2241 CB ASN A 143 -7.963 2.622 -13.259 1.00 0.23 C ATOM 2242 CG ASN A 143 -7.057 1.829 -14.204 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -7.569 1.284 -15.273 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 -5.871 1.705 -13.967 1.00 0.56 N flip ATOM 0 H ASN A 143 -10.302 1.801 -11.273 1.00 0.01 H new ATOM 0 HA ASN A 143 -8.636 0.759 -12.382 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -8.867 2.935 -13.782 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.456 3.528 -12.927 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -5.471 2.131 -13.131 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -5.276 1.175 -14.604 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.329 1.401 -9.879 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.201 1.203 -8.926 1.00 0.02 C ATOM 2253 C TYR A 144 -5.242 2.401 -8.959 1.00 0.01 C ATOM 2254 O TYR A 144 -4.048 2.240 -9.107 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.446 -0.084 -9.305 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.425 -1.081 -9.893 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.548 -1.474 -9.153 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.218 -1.603 -11.179 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.462 -2.387 -9.698 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.131 -2.513 -11.723 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.253 -2.906 -10.982 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.154 -3.805 -11.519 1.00 0.01 O ATOM 0 H TYR A 144 -8.257 1.364 -9.457 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.600 1.117 -7.915 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.660 0.140 -10.026 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -4.961 -0.508 -8.426 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.710 -1.074 -8.163 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.352 -1.302 -11.750 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.327 -2.690 -9.128 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -6.971 -2.912 -12.714 1.00 0.01 H new ATOM 0 HH TYR A 144 -8.861 -4.065 -12.417 1.00 0.01 H new ATOM 2272 N ARG A 145 -5.761 3.598 -8.818 1.00 0.02 N ATOM 2273 CA ARG A 145 -4.881 4.817 -8.838 1.00 0.01 C ATOM 2274 C ARG A 145 -5.099 5.630 -7.561 1.00 0.01 C ATOM 2275 O ARG A 145 -6.062 5.429 -6.847 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.245 5.687 -10.043 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.137 4.857 -11.325 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.500 5.729 -12.526 1.00 0.01 C ATOM 2279 NE ARG A 145 -5.474 4.905 -13.768 1.00 0.01 N ATOM 2280 CZ ARG A 145 -6.038 5.350 -14.858 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -6.628 6.515 -14.860 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -6.015 4.629 -15.947 1.00 0.01 N ATOM 0 H ARG A 145 -6.755 3.786 -8.690 1.00 0.02 H new ATOM 0 HA ARG A 145 -3.839 4.505 -8.904 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.258 6.074 -9.932 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -4.579 6.548 -10.098 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.124 4.469 -11.436 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.804 3.996 -11.272 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -6.490 6.164 -12.387 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -4.797 6.558 -12.612 1.00 0.01 H new ATOM 0 HE ARG A 145 -5.016 3.994 -13.766 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -6.648 7.078 -14.010 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.068 6.862 -15.712 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -5.556 3.718 -15.946 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -6.456 4.977 -16.798 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.199 6.531 -7.246 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.345 7.344 -6.002 1.00 0.02 C ATOM 2298 C GLY A 146 -3.670 6.626 -4.830 1.00 0.01 C ATOM 2299 O GLY A 146 -2.899 5.706 -5.009 1.00 0.02 O ATOM 0 H GLY A 146 -3.368 6.737 -7.800 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -3.897 8.327 -6.145 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.401 7.504 -5.783 1.00 0.02 H new ATOM 2303 N ARG A 147 -3.957 7.051 -3.632 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.338 6.408 -2.437 1.00 0.01 C ATOM 2305 C ARG A 147 -3.880 4.987 -2.300 1.00 0.01 C ATOM 2306 O ARG A 147 -5.038 4.711 -2.562 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.701 7.223 -1.193 1.00 0.01 C ATOM 2308 CG ARG A 147 -2.968 6.650 0.023 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.113 7.610 1.204 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.447 7.026 2.403 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.180 7.779 3.435 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -2.495 9.044 3.419 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -1.595 7.264 4.481 1.00 0.02 N ATOM 0 H ARG A 147 -4.596 7.819 -3.427 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.254 6.373 -2.546 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.427 8.268 -1.337 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.778 7.195 -1.028 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.378 5.674 0.282 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.914 6.501 -0.211 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.666 8.574 0.960 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -4.168 7.791 1.412 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.200 6.037 2.417 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -2.950 9.446 2.600 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -2.286 9.632 4.226 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -1.347 6.275 4.491 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -1.385 7.851 5.289 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.015 4.075 -1.913 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.402 2.639 -1.774 1.00 0.01 C ATOM 2329 C GLN A 148 -3.207 2.200 -0.315 1.00 0.01 C ATOM 2330 O GLN A 148 -2.335 2.688 0.376 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.470 1.810 -2.684 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.072 2.632 -3.922 1.00 0.02 C ATOM 2333 CD GLN A 148 -0.895 3.556 -3.586 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.477 3.643 -2.353 1.00 0.02 O flip ATOM 2335 NE2 GLN A 148 -0.353 4.205 -4.459 1.00 0.01 N flip ATOM 0 H GLN A 148 -2.041 4.274 -1.685 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.445 2.493 -2.056 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.578 1.515 -2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -2.972 0.893 -2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -1.798 1.964 -4.739 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -2.922 3.223 -4.264 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -0.680 4.137 -5.423 1.00 0.01 H new ATOM 0 HE22 GLN A 148 0.429 4.818 -4.228 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.012 1.277 0.143 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.896 0.772 1.551 1.00 0.01 C ATOM 2346 C TYR A 149 -3.831 -0.763 1.533 1.00 0.01 C ATOM 2347 O TYR A 149 -4.498 -1.399 0.740 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.122 1.237 2.352 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.747 1.480 3.805 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.393 0.404 4.629 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.758 2.782 4.326 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -4.050 0.628 5.968 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.414 3.005 5.665 1.00 0.01 C ATOM 2354 CZ TYR A 149 -4.060 1.928 6.485 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.724 2.149 7.807 1.00 0.01 O ATOM 0 H TYR A 149 -4.756 0.844 -0.404 1.00 0.01 H new ATOM 0 HA TYR A 149 -2.991 1.163 2.017 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.523 2.152 1.916 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.909 0.485 2.294 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.385 -0.600 4.231 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -5.032 3.614 3.694 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.778 -0.203 6.602 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.422 4.008 6.065 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.550 3.103 7.945 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.040 -1.357 2.393 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.931 -2.854 2.418 1.00 0.01 C ATOM 2367 C LEU A 150 -3.885 -3.415 3.480 1.00 0.01 C ATOM 2368 O LEU A 150 -3.795 -3.084 4.646 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.488 -3.238 2.759 1.00 0.01 C ATOM 2370 CG LEU A 150 -0.519 -2.643 1.725 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -0.430 -1.108 1.869 1.00 0.01 C ATOM 2372 CD2 LEU A 150 0.868 -3.270 1.928 1.00 0.01 C ATOM 0 H LEU A 150 -2.464 -0.872 3.080 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.199 -3.266 1.445 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -1.234 -2.877 3.755 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.388 -4.323 2.779 1.00 0.01 H new ATOM 0 HG LEU A 150 -0.887 -2.864 0.723 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.262 -0.712 1.126 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.416 -0.670 1.716 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -0.073 -0.856 2.868 1.00 0.01 H new ATOM 0 HD21 LEU A 150 1.565 -2.855 1.200 1.00 0.01 H new ATOM 0 HD22 LEU A 150 1.223 -3.051 2.935 1.00 0.01 H new ATOM 0 HD23 LEU A 150 0.802 -4.350 1.794 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.806 -4.259 3.077 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.788 -4.853 4.039 1.00 0.01 C ATOM 2386 C LEU A 151 -5.440 -6.316 4.333 1.00 0.01 C ATOM 2387 O LEU A 151 -5.171 -7.092 3.438 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.187 -4.798 3.421 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.437 -3.400 2.842 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.891 -3.299 2.368 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.168 -2.343 3.922 1.00 0.01 C ATOM 0 H LEU A 151 -4.920 -4.565 2.111 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.754 -4.285 4.969 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.279 -5.550 2.637 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.939 -5.030 4.175 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.769 -3.228 1.998 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.071 -2.306 1.956 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.076 -4.050 1.600 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.561 -3.469 3.211 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.346 -1.349 3.511 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.834 -2.510 4.768 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.133 -2.418 4.255 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.484 -6.701 5.583 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.196 -8.120 5.967 1.00 0.01 C ATOM 2405 C ASP A 152 -6.505 -8.764 6.434 1.00 0.00 C ATOM 2406 O ASP A 152 -7.524 -8.109 6.520 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.179 -8.140 7.111 1.00 1.04 C ATOM 2408 CG ASP A 152 -2.901 -7.426 6.668 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.949 -6.219 6.504 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -1.897 -8.098 6.501 1.00 1.57 O ATOM 0 H ASP A 152 -5.710 -6.086 6.365 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.788 -8.668 5.118 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -4.596 -7.650 7.991 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -3.954 -9.168 7.395 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.497 -10.034 6.735 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.756 -10.691 7.194 1.00 0.01 C ATOM 2417 C LYS A 153 -8.265 -9.958 8.438 1.00 0.01 C ATOM 2418 O LYS A 153 -7.979 -10.348 9.553 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.477 -12.157 7.537 1.00 0.38 C ATOM 2420 CG LYS A 153 -7.039 -12.902 6.276 1.00 0.71 C ATOM 2421 CD LYS A 153 -6.431 -14.253 6.662 1.00 0.72 C ATOM 2422 CE LYS A 153 -5.919 -14.957 5.406 1.00 1.09 C ATOM 2423 NZ LYS A 153 -5.039 -16.093 5.799 1.00 1.84 N ATOM 0 H LYS A 153 -5.680 -10.642 6.684 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.507 -10.649 6.405 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.700 -12.222 8.299 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.371 -12.620 7.954 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.893 -13.052 5.615 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -6.310 -12.308 5.725 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -5.614 -14.108 7.369 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -7.178 -14.871 7.160 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -6.758 -15.321 4.812 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -5.367 -14.254 4.781 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -4.690 -16.573 4.945 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -4.232 -15.733 6.348 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -5.580 -16.767 6.378 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.994 -8.879 8.259 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.494 -8.096 9.442 1.00 0.01 C ATOM 2439 C LYS A 154 -10.953 -7.667 9.260 1.00 0.01 C ATOM 2440 O LYS A 154 -11.495 -7.679 8.169 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.624 -6.846 9.609 1.00 0.39 C ATOM 2442 CG LYS A 154 -9.106 -6.034 10.816 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.999 -5.078 11.271 1.00 0.97 C ATOM 2444 CE LYS A 154 -8.463 -4.320 12.516 1.00 1.44 C ATOM 2445 NZ LYS A 154 -7.298 -3.644 13.153 1.00 2.28 N ATOM 0 H LYS A 154 -9.265 -8.506 7.349 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.436 -8.734 10.324 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.581 -7.133 9.746 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.671 -6.236 8.707 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -10.001 -5.470 10.553 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -9.379 -6.704 11.631 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.089 -5.636 11.490 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.759 -4.376 10.473 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -9.220 -3.584 12.245 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -8.927 -5.009 13.222 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -7.615 -3.129 13.999 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -6.590 -4.356 13.426 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -6.874 -2.975 12.479 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.574 -7.244 10.341 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.988 -6.753 10.291 1.00 0.01 C ATOM 2461 C GLU A 155 -12.978 -5.244 10.572 1.00 0.01 C ATOM 2462 O GLU A 155 -12.626 -4.812 11.651 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.829 -7.481 11.354 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.216 -7.275 12.752 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.660 -8.406 13.687 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -13.228 -9.526 13.476 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -14.426 -8.131 14.596 1.00 0.01 O ATOM 0 H GLU A 155 -11.151 -7.219 11.269 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.424 -6.950 9.312 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -14.852 -7.105 11.339 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.877 -8.545 11.124 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -12.128 -7.254 12.683 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -13.528 -6.312 13.157 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.333 -4.432 9.603 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.317 -2.946 9.808 1.00 0.01 C ATOM 2476 C TYR A 156 -14.737 -2.427 10.037 1.00 0.01 C ATOM 2477 O TYR A 156 -15.586 -2.532 9.173 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.714 -2.286 8.566 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.306 -2.789 8.358 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.240 -2.191 9.045 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -11.063 -3.853 7.481 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.935 -2.657 8.852 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.756 -4.319 7.289 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.692 -3.721 7.974 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.404 -4.181 7.786 1.00 0.01 O ATOM 0 H TYR A 156 -13.634 -4.735 8.677 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.718 -2.704 10.686 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.324 -2.510 7.691 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.710 -1.202 8.683 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.426 -1.371 9.723 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.884 -4.315 6.952 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -8.114 -2.196 9.381 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.569 -5.140 6.612 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.412 -4.923 7.146 1.00 0.01 H new ATOM 2495 N ARG A 157 -15.018 -1.902 11.204 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.404 -1.420 11.493 1.00 0.01 C ATOM 2497 C ARG A 157 -16.560 0.065 11.153 1.00 0.00 C ATOM 2498 O ARG A 157 -17.651 0.516 10.870 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.699 -1.623 12.979 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.560 -1.026 13.811 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.967 -0.997 15.287 1.00 0.00 C ATOM 2502 NE ARG A 157 -16.536 -2.320 15.672 1.00 0.01 N ATOM 2503 CZ ARG A 157 -16.676 -2.627 16.932 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -16.314 -1.778 17.856 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -17.177 -3.783 17.268 1.00 0.01 N ATOM 0 H ARG A 157 -14.350 -1.787 11.966 1.00 0.01 H new ATOM 0 HA ARG A 157 -17.102 -1.988 10.878 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.644 -1.147 13.242 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.806 -2.685 13.198 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.654 -1.618 13.684 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.333 -0.017 13.465 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -15.102 -0.766 15.909 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.701 -0.210 15.457 1.00 0.00 H new ATOM 0 HE ARG A 157 -16.816 -2.985 14.951 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -15.922 -0.874 17.593 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -16.424 -2.019 18.841 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -17.459 -4.446 16.546 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -17.287 -4.024 18.253 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.495 0.833 11.174 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.598 2.294 10.837 1.00 0.01 C ATOM 2521 C LYS A 158 -14.594 2.612 9.715 1.00 0.01 C ATOM 2522 O LYS A 158 -13.577 1.959 9.608 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.243 3.116 12.084 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.452 3.176 13.022 1.00 0.97 C ATOM 2525 CD LYS A 158 -16.094 3.995 14.266 1.00 1.44 C ATOM 2526 CE LYS A 158 -17.291 4.031 15.216 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.452 2.701 15.866 1.00 2.54 N ATOM 0 H LYS A 158 -14.556 0.512 11.410 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.609 2.538 10.511 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.393 2.667 12.598 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.944 4.124 11.795 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.302 3.627 12.509 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.752 2.169 13.311 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.232 3.556 14.767 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.814 5.008 13.979 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.145 4.802 15.973 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -18.196 4.291 14.667 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.088 2.789 16.684 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -17.857 2.028 15.184 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -16.524 2.356 16.184 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.836 3.617 8.901 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.862 3.965 7.827 1.00 0.02 C ATOM 2543 C PRO A 159 -12.504 4.343 8.434 1.00 0.01 C ATOM 2544 O PRO A 159 -11.465 3.952 7.936 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.545 5.160 7.134 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.727 5.611 8.014 1.00 0.70 C ATOM 2547 CD PRO A 159 -16.057 4.468 8.984 1.00 0.28 C ATOM 0 HA PRO A 159 -13.643 3.149 7.138 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.837 5.978 6.999 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.896 4.875 6.142 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.469 6.516 8.564 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.593 5.849 7.397 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.231 4.832 9.997 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.952 3.925 8.682 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.491 5.097 9.497 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.189 5.474 10.108 1.00 0.02 C ATOM 2557 C VAL A 160 -10.461 4.197 10.533 1.00 0.02 C ATOM 2558 O VAL A 160 -9.259 4.185 10.705 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.440 6.358 11.331 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -10.120 6.975 11.797 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.419 7.473 10.961 1.00 0.74 C ATOM 0 H VAL A 160 -13.319 5.465 9.965 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.581 6.024 9.390 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.862 5.754 12.134 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.300 7.605 12.668 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.421 6.182 12.061 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.697 7.579 10.994 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.598 8.103 11.832 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.997 8.076 10.157 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.361 7.035 10.630 1.00 0.74 H new ATOM 2571 N ASP A 161 -11.174 3.116 10.696 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.499 1.852 11.096 1.00 0.01 C ATOM 2573 C ASP A 161 -9.570 1.386 9.969 1.00 0.01 C ATOM 2574 O ASP A 161 -8.694 0.569 10.171 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.546 0.770 11.369 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.894 -0.397 12.110 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.722 -0.291 12.426 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.581 -1.377 12.349 1.00 0.00 O ATOM 0 H ASP A 161 -12.184 3.054 10.571 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.916 2.029 12.000 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.362 1.181 11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.978 0.423 10.431 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.746 1.920 8.783 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.866 1.531 7.638 1.00 0.01 C ATOM 2585 C TRP A 162 -7.727 2.557 7.553 1.00 0.01 C ATOM 2586 O TRP A 162 -6.962 2.556 6.610 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.674 1.603 6.309 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.944 0.260 5.682 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.155 -0.849 5.728 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -11.085 -0.097 4.850 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.763 -1.856 4.998 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.951 -1.440 4.438 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.221 0.616 4.426 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.908 -2.056 3.631 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.183 0.003 3.613 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -13.028 -1.329 3.216 1.00 0.01 C ATOM 0 H TRP A 162 -10.463 2.610 8.560 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.487 0.520 7.787 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.625 2.101 6.500 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -9.128 2.222 5.597 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.212 -0.930 6.248 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.377 -2.794 4.888 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.353 1.644 4.730 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.785 -3.086 3.329 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -14.049 0.562 3.291 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.773 -1.796 2.589 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.591 3.419 8.518 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.485 4.410 8.455 1.00 0.01 C ATOM 2609 C GLY A 163 -6.849 5.524 7.472 1.00 0.01 C ATOM 2610 O GLY A 163 -6.023 6.329 7.094 1.00 0.01 O ATOM 0 H GLY A 163 -8.191 3.481 9.340 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.302 4.830 9.444 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.563 3.921 8.141 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.084 5.553 7.032 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.515 6.589 6.043 1.00 0.02 C ATOM 2616 C ALA A 164 -9.242 7.725 6.757 1.00 0.01 C ATOM 2617 O ALA A 164 -9.996 7.517 7.685 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.491 5.946 5.055 1.00 0.01 C ATOM 0 H ALA A 164 -8.814 4.901 7.317 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.637 6.981 5.529 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.814 6.690 4.327 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.997 5.123 4.538 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.358 5.566 5.595 1.00 0.01 H new ATOM 2624 N ALA A 165 -9.018 8.932 6.313 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.687 10.107 6.935 1.00 0.01 C ATOM 2626 C ALA A 165 -11.081 10.292 6.329 1.00 0.02 C ATOM 2627 O ALA A 165 -11.866 11.089 6.803 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.860 11.367 6.678 1.00 0.59 C ATOM 0 H ALA A 165 -8.393 9.155 5.538 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.774 9.937 8.008 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.353 12.225 7.135 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.867 11.245 7.112 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.769 11.530 5.604 1.00 0.59 H new ATOM 2634 N SER A 166 -11.411 9.557 5.294 1.00 0.01 N ATOM 2635 CA SER A 166 -12.767 9.682 4.671 1.00 0.01 C ATOM 2636 C SER A 166 -13.219 8.287 4.184 1.00 0.02 C ATOM 2637 O SER A 166 -12.390 7.471 3.833 1.00 0.01 O ATOM 2638 CB SER A 166 -12.693 10.638 3.479 1.00 0.72 C ATOM 2639 OG SER A 166 -12.246 9.926 2.331 1.00 0.87 O ATOM 0 H SER A 166 -10.797 8.873 4.852 1.00 0.01 H new ATOM 0 HA SER A 166 -13.478 10.070 5.400 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.672 11.078 3.290 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.012 11.460 3.699 1.00 0.72 H new ATOM 0 HG SER A 166 -12.199 10.536 1.565 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.508 7.999 4.143 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.980 6.662 3.664 1.00 0.01 C ATOM 2647 C PRO A 167 -14.902 6.528 2.136 1.00 0.01 C ATOM 2648 O PRO A 167 -15.599 5.724 1.541 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.444 6.667 4.130 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.861 8.133 4.300 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.584 8.948 4.568 1.00 0.22 C ATOM 0 HA PRO A 167 -14.380 5.835 4.044 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.082 6.168 3.400 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.550 6.125 5.070 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.366 8.495 3.404 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.564 8.238 5.126 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.563 9.873 3.991 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.491 9.225 5.618 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.095 7.329 1.490 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.026 7.258 0.002 1.00 0.01 C ATOM 2661 C ALA A 168 -13.089 6.138 -0.470 1.00 0.01 C ATOM 2662 O ALA A 168 -11.926 6.074 -0.128 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.512 8.593 -0.538 1.00 0.18 C ATOM 0 H ALA A 168 -13.486 8.023 1.924 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.027 7.046 -0.373 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.459 8.549 -1.626 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.191 9.392 -0.240 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.519 8.791 -0.134 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.633 5.269 -1.275 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.865 4.121 -1.844 1.00 0.01 C ATOM 2671 C ILE A 169 -13.423 3.867 -3.241 1.00 0.01 C ATOM 2672 O ILE A 169 -14.621 3.746 -3.411 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.079 2.887 -0.956 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.716 3.244 0.494 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.208 1.717 -1.444 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.713 1.980 1.356 1.00 3.99 C ATOM 0 H ILE A 169 -14.608 5.307 -1.572 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.797 4.332 -1.890 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.124 2.581 -1.009 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.735 3.719 0.526 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.432 3.964 0.891 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.371 0.850 -0.804 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.477 1.466 -2.470 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.157 2.004 -1.404 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.455 2.240 2.383 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.702 1.523 1.335 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.980 1.275 0.965 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.583 3.829 -4.258 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.087 3.633 -5.658 1.00 0.01 C ATOM 2690 C GLN A 170 -12.676 2.278 -6.254 1.00 0.02 C ATOM 2691 O GLN A 170 -13.301 1.828 -7.192 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.546 4.754 -6.549 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.110 6.098 -6.080 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.566 6.226 -6.528 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -14.911 5.838 -7.627 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.442 6.754 -5.716 1.00 5.17 N ATOM 0 H GLN A 170 -11.571 3.926 -4.175 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.176 3.655 -5.616 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.457 4.771 -6.509 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -12.824 4.574 -7.587 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.045 6.173 -4.995 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.519 6.916 -6.492 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.152 7.079 -4.794 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.417 6.841 -6.004 1.00 5.17 H new ATOM 2705 N SER A 171 -11.663 1.595 -5.770 1.00 0.01 N ATOM 2706 CA SER A 171 -11.325 0.279 -6.408 1.00 0.01 C ATOM 2707 C SER A 171 -10.533 -0.594 -5.429 1.00 0.01 C ATOM 2708 O SER A 171 -9.935 -0.109 -4.491 1.00 0.01 O ATOM 2709 CB SER A 171 -10.487 0.527 -7.662 1.00 0.01 C ATOM 2710 OG SER A 171 -9.116 0.603 -7.299 1.00 0.02 O ATOM 0 H SER A 171 -11.073 1.878 -4.988 1.00 0.01 H new ATOM 0 HA SER A 171 -12.247 -0.236 -6.675 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.641 -0.277 -8.382 1.00 0.01 H new ATOM 0 HB3 SER A 171 -10.799 1.452 -8.146 1.00 0.01 H new ATOM 0 HG SER A 171 -8.730 1.433 -7.649 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.495 -1.887 -5.664 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.708 -2.787 -4.765 1.00 0.01 C ATOM 2718 C PHE A 172 -9.237 -4.027 -5.535 1.00 0.01 C ATOM 2719 O PHE A 172 -9.836 -4.429 -6.515 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.534 -3.200 -3.535 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.926 -3.660 -3.920 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.106 -4.879 -4.586 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.041 -2.879 -3.583 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.395 -5.314 -4.919 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.328 -3.316 -3.912 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.505 -4.532 -4.580 1.00 1.92 C ATOM 0 H PHE A 172 -10.973 -2.353 -6.435 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.834 -2.238 -4.414 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.020 -4.002 -3.005 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.607 -2.358 -2.847 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.249 -5.484 -4.843 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.906 -1.939 -3.069 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.532 -6.252 -5.437 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.186 -2.714 -3.650 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.499 -4.868 -4.834 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.155 -4.631 -5.105 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.625 -5.838 -5.823 1.00 0.01 C ATOM 2738 C ARG A 173 -7.027 -6.836 -4.824 1.00 0.01 C ATOM 2739 O ARG A 173 -6.543 -6.473 -3.769 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.516 -5.419 -6.794 1.00 0.01 C ATOM 2741 CG ARG A 173 -6.943 -4.194 -7.608 1.00 0.01 C ATOM 2742 CD ARG A 173 -5.804 -3.777 -8.575 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.726 -4.808 -8.586 1.00 0.01 N ATOM 2744 CZ ARG A 173 -3.845 -4.821 -9.549 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -3.907 -3.934 -10.503 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.901 -5.722 -9.555 1.00 0.01 N ATOM 0 H ARG A 173 -7.615 -4.342 -4.289 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.451 -6.302 -6.362 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.606 -5.193 -6.239 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.283 -6.245 -7.466 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -7.847 -4.420 -8.174 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.184 -3.368 -6.939 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.202 -3.648 -9.581 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.393 -2.815 -8.269 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.677 -5.503 -7.841 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.644 -3.229 -10.497 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.218 -3.945 -11.255 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.852 -6.415 -8.808 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.212 -5.734 -10.307 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.048 -8.098 -5.168 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.473 -9.142 -4.271 1.00 0.01 C ATOM 2762 C ARG A 174 -4.982 -9.313 -4.579 1.00 0.01 C ATOM 2763 O ARG A 174 -4.567 -9.260 -5.719 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.183 -10.478 -4.509 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.074 -10.865 -5.984 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.858 -12.157 -6.231 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.572 -12.656 -7.606 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.875 -13.884 -7.931 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.428 -14.675 -7.052 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.625 -14.320 -9.134 1.00 0.01 N ATOM 0 H ARG A 174 -7.443 -8.452 -6.040 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.607 -8.834 -3.234 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.737 -11.253 -3.886 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.231 -10.400 -4.220 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.465 -10.064 -6.611 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.028 -11.003 -6.259 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.580 -12.910 -5.494 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.926 -11.975 -6.113 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.140 -12.038 -8.293 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.624 -14.334 -6.111 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -8.664 -15.634 -7.306 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.193 -13.702 -9.821 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -7.861 -15.279 -9.388 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.174 -9.542 -3.573 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.710 -9.744 -3.828 1.00 0.01 C ATOM 2786 C ILE A 175 -2.431 -11.241 -3.978 1.00 0.00 C ATOM 2787 O ILE A 175 -2.818 -12.035 -3.144 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.864 -9.203 -2.667 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.296 -7.773 -2.318 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.390 -9.196 -3.088 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.303 -7.163 -1.318 1.00 3.04 C ATOM 0 H ILE A 175 -4.459 -9.598 -2.595 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.444 -9.205 -4.737 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.004 -9.839 -1.793 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.338 -7.164 -3.221 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.299 -7.779 -1.892 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.220 -8.813 -2.270 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.076 -10.211 -3.331 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.265 -8.559 -3.963 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.612 -6.147 -1.072 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.284 -7.766 -0.410 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.307 -7.142 -1.761 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.763 -11.637 -5.036 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.457 -13.086 -5.244 1.00 0.00 C ATOM 2805 C VAL A 176 -0.004 -13.238 -5.699 1.00 0.01 C ATOM 2806 O VAL A 176 0.527 -12.399 -6.397 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.374 -13.654 -6.330 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.254 -15.180 -6.351 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.822 -13.263 -6.032 1.00 1.89 C ATOM 0 H VAL A 176 -1.416 -11.015 -5.766 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.614 -13.623 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.081 -13.251 -7.299 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.907 -15.586 -7.124 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -1.222 -15.461 -6.563 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.547 -15.581 -5.381 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.475 -13.668 -6.806 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -4.115 -13.666 -5.063 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -3.909 -12.177 -6.015 1.00 1.89 H new ATOM 2819 N GLU A 177 0.643 -14.303 -5.309 1.00 0.01 N ATOM 2820 CA GLU A 177 2.060 -14.509 -5.716 1.00 0.01 C ATOM 2821 C GLU A 177 2.890 -13.288 -5.314 1.00 0.01 C ATOM 2822 CB GLU A 177 2.133 -14.696 -7.233 1.00 2.15 C ATOM 2823 CG GLU A 177 3.515 -15.230 -7.615 1.00 3.19 C ATOM 2824 CD GLU A 177 3.696 -15.137 -9.131 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.693 -15.086 -9.825 1.00 4.89 O ATOM 2826 OE2 GLU A 177 4.833 -15.122 -9.574 1.00 4.77 O ATOM 0 H GLU A 177 0.249 -15.040 -4.725 1.00 0.01 H new ATOM 0 HA GLU A 177 2.454 -15.396 -5.220 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.359 -15.390 -7.562 1.00 2.15 H new ATOM 0 HB3 GLU A 177 1.946 -13.748 -7.737 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.291 -14.656 -7.109 1.00 3.19 H new ATOM 0 HG3 GLU A 177 3.620 -16.265 -7.288 1.00 3.19 H new TER 2833 GLU A 177