USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1070 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 88 GLN :FLIP amide:sc= 0.00264 F(o=-2.7,f=-0.51) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -0.514 X(o=-0.52,f=-0.51) USER MOD Set 2.1: A 70 HIS :FLIP no HE2:sc= -0.0761 F(o=-0.63,f=-0.076) USER MOD Set 2.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -104:sc= 0.101 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.71 F(o=-4.1!,f=-1.7) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.7!) USER MOD Single : A 11 ASN : amide:sc= -7.14! C(o=-7.1!,f=-15!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 142:sc= -4.28! (180deg=-8.89!) USER MOD Single : A 18 GLN : amide:sc=-0.00642 K(o=-0.0064,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ -103:sc= -0.0739 (180deg=-0.826) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.516 USER MOD Single : A 34 TYR OH : rot -57:sc= 0.0884 USER MOD Single : A 35 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 176:sc= -1.5 (180deg=-1.64) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.949 F(o=-2.4!,f=-0.95) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.31! C(o=-5.1!,f=-4.3!) USER MOD Single : A 72 ASN : amide:sc= -0.0155 K(o=-0.016,f=-1.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -118:sc= -12.1! (180deg=-22.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.55 K(o=-1.6,f=-4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -2.32 USER MOD Single : A 86 MET CE :methyl 168:sc= -1.6 (180deg=-1.93) USER MOD Single : A 95 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-3.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.666 X(o=-0.67,f=-1) USER MOD Single : A 109 MET CE :methyl -99:sc= -0.45 (180deg=-2.66!) USER MOD Single : A 110 LYS NZ :NH3+ 145:sc= -2.69! (180deg=-3.49!) USER MOD Single : A 111 THR OG1 : rot 117:sc= -0.357 USER MOD Single : A 116 MET CE :methyl -128:sc= -0.026 (180deg=-0.253) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-8.2!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN :FLIP amide:sc= -1.46! C(o=-2.7!,f=-1.5!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 131 MET CE :methyl 150:sc= 0 (180deg=-0.585) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.929 -13.578 -13.270 1.00 0.00 N ATOM 2 CA SER A 1 -9.960 -12.496 -13.256 1.00 0.00 C ATOM 3 C SER A 1 -9.203 -12.488 -11.926 1.00 0.00 C ATOM 4 O SER A 1 -9.696 -13.001 -10.925 1.00 0.00 O ATOM 5 CB SER A 1 -10.640 -11.145 -13.489 1.00 0.00 C ATOM 6 OG SER A 1 -10.846 -10.882 -14.873 1.00 0.00 O ATOM 0 H1 SER A 1 -10.572 -14.356 -13.861 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.080 -13.922 -12.300 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.830 -13.232 -13.659 1.00 0.00 H new ATOM 0 HA SER A 1 -9.252 -12.660 -14.068 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.599 -11.128 -12.970 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.029 -10.353 -13.057 1.00 0.00 H new ATOM 0 HG SER A 1 -11.284 -10.012 -14.979 1.00 0.00 H new ATOM 12 N PRO A 2 -7.984 -11.883 -11.963 1.00 0.00 N ATOM 13 CA PRO A 2 -7.154 -11.802 -10.773 1.00 0.00 C ATOM 14 C PRO A 2 -7.689 -10.744 -9.803 1.00 0.00 C ATOM 15 O PRO A 2 -8.812 -10.267 -9.957 1.00 0.00 O ATOM 16 CB PRO A 2 -5.760 -11.483 -11.288 1.00 0.00 C ATOM 17 CG PRO A 2 -5.948 -10.943 -12.695 1.00 0.00 C ATOM 18 CD PRO A 2 -7.369 -11.265 -13.133 1.00 0.00 C ATOM 0 HA PRO A 2 -7.150 -12.728 -10.198 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.267 -10.749 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.132 -12.374 -11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.777 -9.867 -12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.227 -11.394 -13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.905 -10.365 -13.433 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.377 -11.941 -13.988 1.00 0.00 H new ATOM 26 N GLU A 3 -6.859 -10.411 -8.826 1.00 0.00 N ATOM 27 CA GLU A 3 -7.234 -9.421 -7.831 1.00 0.00 C ATOM 28 C GLU A 3 -7.636 -8.110 -8.513 1.00 0.00 C ATOM 29 O GLU A 3 -8.406 -7.328 -7.956 1.00 0.00 O ATOM 30 CB GLU A 3 -6.099 -9.193 -6.830 1.00 0.00 C ATOM 31 CG GLU A 3 -5.923 -10.406 -5.915 1.00 0.00 C ATOM 32 CD GLU A 3 -6.975 -10.413 -4.804 1.00 0.00 C ATOM 33 OE1 GLU A 3 -7.991 -9.707 -4.980 1.00 0.00 O ATOM 34 OE2 GLU A 3 -6.738 -11.122 -3.803 1.00 0.00 O ATOM 0 H GLU A 3 -5.928 -10.809 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.093 -9.798 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.170 -9.000 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.311 -8.308 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.001 -11.322 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.925 -10.393 -5.476 1.00 0.00 H new ATOM 41 N ILE A 4 -7.096 -7.911 -9.706 1.00 0.00 N ATOM 42 CA ILE A 4 -7.387 -6.709 -10.469 1.00 0.00 C ATOM 43 C ILE A 4 -8.904 -6.531 -10.569 1.00 0.00 C ATOM 44 O ILE A 4 -9.406 -5.409 -10.512 1.00 0.00 O ATOM 45 CB ILE A 4 -6.682 -6.751 -11.825 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.250 -7.273 -11.684 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.729 -5.384 -12.510 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.547 -6.624 -10.489 1.00 0.00 C ATOM 0 H ILE A 4 -6.458 -8.562 -10.163 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.994 -5.829 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.218 -7.451 -12.466 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.264 -8.356 -11.559 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.691 -7.065 -12.597 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.221 -5.442 -13.472 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.767 -5.090 -12.665 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.233 -4.645 -11.881 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.531 -7.011 -10.410 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.514 -5.544 -10.629 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.095 -6.854 -9.575 1.00 0.00 H new ATOM 60 N MET A 5 -9.592 -7.654 -10.717 1.00 0.00 N ATOM 61 CA MET A 5 -11.040 -7.636 -10.826 1.00 0.00 C ATOM 62 C MET A 5 -11.695 -7.960 -9.482 1.00 0.00 C ATOM 63 O MET A 5 -12.890 -7.730 -9.299 1.00 0.00 O ATOM 64 CB MET A 5 -11.487 -8.659 -11.873 1.00 0.00 C ATOM 65 CG MET A 5 -12.953 -8.449 -12.254 1.00 0.00 C ATOM 66 SD MET A 5 -13.829 -10.003 -12.188 1.00 0.00 S ATOM 67 CE MET A 5 -14.367 -10.128 -13.884 1.00 0.00 C ATOM 0 H MET A 5 -9.172 -8.583 -10.764 1.00 0.00 H new ATOM 0 HA MET A 5 -11.350 -6.636 -11.128 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.861 -8.573 -12.761 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.350 -9.668 -11.483 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.415 -7.733 -11.575 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.020 -8.027 -13.257 1.00 0.00 H new ATOM 0 HE1 MET A 5 -14.934 -11.049 -14.019 1.00 0.00 H new ATOM 0 HE2 MET A 5 -14.998 -9.274 -14.129 1.00 0.00 H new ATOM 0 HE3 MET A 5 -13.498 -10.137 -14.542 1.00 0.00 H new ATOM 77 N LYS A 6 -10.884 -8.489 -8.578 1.00 0.00 N ATOM 78 CA LYS A 6 -11.371 -8.847 -7.256 1.00 0.00 C ATOM 79 C LYS A 6 -10.743 -7.916 -6.217 1.00 0.00 C ATOM 80 O LYS A 6 -9.571 -8.062 -5.874 1.00 0.00 O ATOM 81 CB LYS A 6 -11.126 -10.332 -6.979 1.00 0.00 C ATOM 82 CG LYS A 6 -12.030 -11.208 -7.847 1.00 0.00 C ATOM 83 CD LYS A 6 -11.430 -12.604 -8.030 1.00 0.00 C ATOM 84 CE LYS A 6 -12.002 -13.585 -7.004 1.00 0.00 C ATOM 85 NZ LYS A 6 -10.909 -14.282 -6.289 1.00 0.00 N ATOM 0 H LYS A 6 -9.894 -8.678 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.451 -8.709 -7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.082 -10.575 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.310 -10.544 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.015 -11.289 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.171 -10.739 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.638 -12.964 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.346 -12.554 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.628 -13.050 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.640 -14.313 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.314 -14.944 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.328 -14.808 -6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.317 -13.584 -5.795 1.00 0.00 H new ATOM 99 N ASN A 7 -11.552 -6.979 -5.744 1.00 0.00 N ATOM 100 CA ASN A 7 -11.091 -6.024 -4.751 1.00 0.00 C ATOM 101 C ASN A 7 -11.967 -6.131 -3.502 1.00 0.00 C ATOM 102 O ASN A 7 -13.140 -6.489 -3.590 1.00 0.00 O ATOM 103 CB ASN A 7 -11.190 -4.590 -5.277 1.00 0.00 C ATOM 104 CG ASN A 7 -12.650 -4.153 -5.402 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.056 -3.339 -4.432 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -13.361 -4.528 -6.321 1.00 0.00 N flip ATOM 0 H ASN A 7 -12.524 -6.861 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.050 -6.252 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.661 -3.915 -4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.701 -4.520 -6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.986 -5.154 -7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.330 -4.215 -6.376 1.00 0.00 H new ATOM 113 N LEU A 8 -11.364 -5.812 -2.365 1.00 0.00 N ATOM 114 CA LEU A 8 -12.075 -5.867 -1.100 1.00 0.00 C ATOM 115 C LEU A 8 -13.275 -4.919 -1.152 1.00 0.00 C ATOM 116 O LEU A 8 -13.467 -4.208 -2.137 1.00 0.00 O ATOM 117 CB LEU A 8 -11.121 -5.588 0.064 1.00 0.00 C ATOM 118 CG LEU A 8 -11.582 -6.071 1.440 1.00 0.00 C ATOM 119 CD1 LEU A 8 -10.509 -6.936 2.105 1.00 0.00 C ATOM 120 CD2 LEU A 8 -11.998 -4.895 2.324 1.00 0.00 C ATOM 0 H LEU A 8 -10.391 -5.515 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.467 -6.869 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.161 -6.054 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.949 -4.513 0.117 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.463 -6.698 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.862 -7.266 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.304 -7.805 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.596 -6.353 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.321 -5.267 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.151 -4.222 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.819 -4.356 1.850 1.00 0.00 H new ATOM 132 N SER A 9 -14.051 -4.938 -0.078 1.00 0.00 N ATOM 133 CA SER A 9 -15.227 -4.088 0.011 1.00 0.00 C ATOM 134 C SER A 9 -14.859 -2.647 -0.342 1.00 0.00 C ATOM 135 O SER A 9 -14.892 -2.263 -1.510 1.00 0.00 O ATOM 136 CB SER A 9 -15.847 -4.152 1.409 1.00 0.00 C ATOM 137 OG SER A 9 -16.555 -5.370 1.624 1.00 0.00 O ATOM 0 H SER A 9 -13.889 -5.528 0.738 1.00 0.00 H new ATOM 0 HA SER A 9 -15.967 -4.451 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.062 -4.052 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.526 -3.310 1.544 1.00 0.00 H new ATOM 0 HG SER A 9 -16.934 -5.373 2.528 1.00 0.00 H new ATOM 143 N ASN A 10 -14.517 -1.888 0.688 1.00 0.00 N ATOM 144 CA ASN A 10 -14.144 -0.496 0.501 1.00 0.00 C ATOM 145 C ASN A 10 -12.697 -0.296 0.957 1.00 0.00 C ATOM 146 O ASN A 10 -11.954 0.476 0.352 1.00 0.00 O ATOM 147 CB ASN A 10 -15.033 0.429 1.333 1.00 0.00 C ATOM 148 CG ASN A 10 -16.374 0.672 0.638 1.00 0.00 C ATOM 149 OD1 ASN A 10 -16.855 -0.135 -0.139 1.00 0.00 O ATOM 150 ND2 ASN A 10 -16.949 1.828 0.959 1.00 0.00 N ATOM 0 H ASN A 10 -14.490 -2.210 1.655 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.261 -0.254 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.203 -0.011 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.525 1.380 1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.847 2.083 0.547 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.492 2.459 1.617 1.00 0.00 H new ATOM 157 N ASN A 11 -12.341 -1.004 2.017 1.00 0.00 N ATOM 158 CA ASN A 11 -10.996 -0.914 2.560 1.00 0.00 C ATOM 159 C ASN A 11 -10.000 -0.723 1.415 1.00 0.00 C ATOM 160 O ASN A 11 -8.993 -0.032 1.571 1.00 0.00 O ATOM 161 CB ASN A 11 -10.616 -2.193 3.309 1.00 0.00 C ATOM 162 CG ASN A 11 -11.760 -2.661 4.210 1.00 0.00 C ATOM 163 OD1 ASN A 11 -12.904 -2.258 4.065 1.00 0.00 O ATOM 164 ND2 ASN A 11 -11.391 -3.531 5.145 1.00 0.00 N ATOM 0 H ASN A 11 -12.960 -1.643 2.515 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.968 -0.071 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.367 -2.977 2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.724 -2.015 3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.082 -3.903 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.417 -3.826 5.211 1.00 0.00 H new ATOM 171 N PHE A 12 -10.314 -1.346 0.289 1.00 0.00 N ATOM 172 CA PHE A 12 -9.460 -1.253 -0.882 1.00 0.00 C ATOM 173 C PHE A 12 -10.175 -0.532 -2.027 1.00 0.00 C ATOM 174 O PHE A 12 -9.789 0.573 -2.405 1.00 0.00 O ATOM 175 CB PHE A 12 -9.141 -2.685 -1.317 1.00 0.00 C ATOM 176 CG PHE A 12 -7.941 -3.303 -0.597 1.00 0.00 C ATOM 177 CD1 PHE A 12 -8.042 -3.652 0.714 1.00 0.00 C ATOM 178 CD2 PHE A 12 -6.774 -3.502 -1.267 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.927 -4.226 1.383 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.661 -4.075 -0.597 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.761 -4.425 0.713 1.00 0.00 C ATOM 0 H PHE A 12 -11.149 -1.918 0.163 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.558 -0.690 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.017 -3.310 -1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.951 -2.694 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.968 -3.493 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.694 -3.224 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.006 -4.504 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.734 -4.233 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.914 -4.861 1.221 1.00 0.00 H new ATOM 191 N GLY A 13 -11.203 -1.187 -2.546 1.00 0.00 N ATOM 192 CA GLY A 13 -11.974 -0.622 -3.640 1.00 0.00 C ATOM 193 C GLY A 13 -12.251 0.864 -3.405 1.00 0.00 C ATOM 194 O GLY A 13 -12.300 1.647 -4.352 1.00 0.00 O ATOM 0 H GLY A 13 -11.520 -2.103 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.431 -0.751 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.917 -1.160 -3.741 1.00 0.00 H new ATOM 198 N LYS A 14 -12.427 1.207 -2.137 1.00 0.00 N ATOM 199 CA LYS A 14 -12.697 2.586 -1.766 1.00 0.00 C ATOM 200 C LYS A 14 -11.385 3.370 -1.744 1.00 0.00 C ATOM 201 O LYS A 14 -11.284 4.434 -2.355 1.00 0.00 O ATOM 202 CB LYS A 14 -13.470 2.643 -0.446 1.00 0.00 C ATOM 203 CG LYS A 14 -14.133 4.009 -0.257 1.00 0.00 C ATOM 204 CD LYS A 14 -13.474 4.785 0.885 1.00 0.00 C ATOM 205 CE LYS A 14 -13.650 4.055 2.218 1.00 0.00 C ATOM 206 NZ LYS A 14 -13.461 4.989 3.350 1.00 0.00 N ATOM 0 H LYS A 14 -12.388 0.554 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.340 3.061 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.229 1.861 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.793 2.445 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.061 4.583 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.194 3.876 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.412 4.916 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.911 5.781 0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.644 3.611 2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.932 3.238 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.584 4.477 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.504 5.393 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.163 5.754 3.289 1.00 0.00 H new ATOM 220 N ALA A 15 -10.412 2.817 -1.035 1.00 0.00 N ATOM 221 CA ALA A 15 -9.110 3.453 -0.927 1.00 0.00 C ATOM 222 C ALA A 15 -8.516 3.630 -2.325 1.00 0.00 C ATOM 223 O ALA A 15 -7.959 4.681 -2.638 1.00 0.00 O ATOM 224 CB ALA A 15 -8.210 2.620 -0.012 1.00 0.00 C ATOM 0 H ALA A 15 -10.499 1.935 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.202 4.443 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.233 3.097 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.663 2.549 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.092 1.620 -0.430 1.00 0.00 H new ATOM 230 N MET A 16 -8.654 2.587 -3.129 1.00 0.00 N ATOM 231 CA MET A 16 -8.138 2.613 -4.487 1.00 0.00 C ATOM 232 C MET A 16 -8.931 3.592 -5.356 1.00 0.00 C ATOM 233 O MET A 16 -8.357 4.302 -6.180 1.00 0.00 O ATOM 234 CB MET A 16 -8.219 1.211 -5.093 1.00 0.00 C ATOM 235 CG MET A 16 -7.493 0.191 -4.213 1.00 0.00 C ATOM 236 SD MET A 16 -5.727 0.412 -4.354 1.00 0.00 S ATOM 237 CE MET A 16 -5.497 1.785 -3.237 1.00 0.00 C ATOM 0 H MET A 16 -9.117 1.717 -2.866 1.00 0.00 H new ATOM 0 HA MET A 16 -7.100 2.944 -4.454 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.263 0.920 -5.207 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.778 1.216 -6.090 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.801 0.310 -3.174 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.766 -0.821 -4.513 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.566 1.653 -2.685 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.453 2.714 -3.806 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.331 1.828 -2.537 1.00 0.00 H new ATOM 247 N ASP A 17 -10.238 3.597 -5.142 1.00 0.00 N ATOM 248 CA ASP A 17 -11.116 4.477 -5.894 1.00 0.00 C ATOM 249 C ASP A 17 -10.858 5.927 -5.477 1.00 0.00 C ATOM 250 O ASP A 17 -10.692 6.801 -6.328 1.00 0.00 O ATOM 251 CB ASP A 17 -12.586 4.159 -5.616 1.00 0.00 C ATOM 252 CG ASP A 17 -13.592 5.056 -6.340 1.00 0.00 C ATOM 253 OD1 ASP A 17 -13.763 4.847 -7.560 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.166 5.932 -5.658 1.00 0.00 O ATOM 0 H ASP A 17 -10.711 3.006 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.911 4.331 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.777 3.124 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.761 4.235 -4.543 1.00 0.00 H new ATOM 259 N GLN A 18 -10.834 6.137 -4.170 1.00 0.00 N ATOM 260 CA GLN A 18 -10.600 7.465 -3.631 1.00 0.00 C ATOM 261 C GLN A 18 -9.180 7.930 -3.961 1.00 0.00 C ATOM 262 O GLN A 18 -8.954 9.111 -4.221 1.00 0.00 O ATOM 263 CB GLN A 18 -10.848 7.496 -2.121 1.00 0.00 C ATOM 264 CG GLN A 18 -12.263 7.988 -1.807 1.00 0.00 C ATOM 265 CD GLN A 18 -12.416 8.306 -0.319 1.00 0.00 C ATOM 266 OE1 GLN A 18 -11.450 8.464 0.411 1.00 0.00 O ATOM 267 NE2 GLN A 18 -13.679 8.391 0.090 1.00 0.00 N ATOM 0 H GLN A 18 -10.973 5.410 -3.468 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.305 8.153 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.705 6.499 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.118 8.148 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.481 8.878 -2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.989 7.228 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.441 8.248 -0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.886 8.600 1.067 1.00 0.00 H new ATOM 276 N CYS A 19 -8.259 6.977 -3.941 1.00 0.00 N ATOM 277 CA CYS A 19 -6.869 7.274 -4.236 1.00 0.00 C ATOM 278 C CYS A 19 -6.781 7.784 -5.676 1.00 0.00 C ATOM 279 O CYS A 19 -5.983 8.670 -5.977 1.00 0.00 O ATOM 280 CB CYS A 19 -5.969 6.058 -4.004 1.00 0.00 C ATOM 281 SG CYS A 19 -5.438 5.815 -2.271 1.00 0.00 S ATOM 0 H CYS A 19 -8.449 5.999 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.507 8.046 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.497 5.164 -4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.082 6.155 -4.630 1.00 0.00 H new ATOM 286 N LYS A 20 -7.613 7.203 -6.527 1.00 0.00 N ATOM 287 CA LYS A 20 -7.642 7.588 -7.928 1.00 0.00 C ATOM 288 C LYS A 20 -8.165 9.021 -8.049 1.00 0.00 C ATOM 289 O LYS A 20 -8.156 9.599 -9.134 1.00 0.00 O ATOM 290 CB LYS A 20 -8.437 6.571 -8.748 1.00 0.00 C ATOM 291 CG LYS A 20 -7.724 6.247 -10.062 1.00 0.00 C ATOM 292 CD LYS A 20 -8.642 5.472 -11.008 1.00 0.00 C ATOM 293 CE LYS A 20 -9.698 6.394 -11.624 1.00 0.00 C ATOM 294 NZ LYS A 20 -11.000 6.217 -10.944 1.00 0.00 N ATOM 0 H LYS A 20 -8.273 6.468 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.635 7.580 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.572 5.658 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.431 6.965 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.399 7.171 -10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.828 5.661 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.050 5.011 -11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.132 4.664 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.376 7.432 -11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.804 6.177 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.628 5.643 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.854 5.736 -10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.435 7.147 -10.778 1.00 0.00 H new ATOM 308 N ASP A 21 -8.609 9.552 -6.919 1.00 0.00 N ATOM 309 CA ASP A 21 -9.135 10.905 -6.885 1.00 0.00 C ATOM 310 C ASP A 21 -8.182 11.800 -6.090 1.00 0.00 C ATOM 311 O ASP A 21 -7.530 12.676 -6.656 1.00 0.00 O ATOM 312 CB ASP A 21 -10.504 10.948 -6.202 1.00 0.00 C ATOM 313 CG ASP A 21 -11.608 11.635 -7.006 1.00 0.00 C ATOM 314 OD1 ASP A 21 -12.151 10.967 -7.912 1.00 0.00 O ATOM 315 OD2 ASP A 21 -11.885 12.815 -6.698 1.00 0.00 O ATOM 0 H ASP A 21 -8.615 9.069 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.234 11.253 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.816 9.927 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.400 11.460 -5.246 1.00 0.00 H new ATOM 320 N GLU A 22 -8.132 11.547 -4.791 1.00 0.00 N ATOM 321 CA GLU A 22 -7.269 12.319 -3.912 1.00 0.00 C ATOM 322 C GLU A 22 -5.860 12.415 -4.501 1.00 0.00 C ATOM 323 O GLU A 22 -5.242 13.477 -4.472 1.00 0.00 O ATOM 324 CB GLU A 22 -7.235 11.713 -2.507 1.00 0.00 C ATOM 325 CG GLU A 22 -7.033 10.199 -2.568 1.00 0.00 C ATOM 326 CD GLU A 22 -8.130 9.467 -1.793 1.00 0.00 C ATOM 327 OE1 GLU A 22 -9.181 10.105 -1.558 1.00 0.00 O ATOM 328 OE2 GLU A 22 -7.896 8.288 -1.451 1.00 0.00 O ATOM 0 H GLU A 22 -8.674 10.819 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.676 13.327 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.430 12.168 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.166 11.939 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.036 9.870 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.058 9.942 -2.155 1.00 0.00 H new ATOM 335 N LEU A 23 -5.394 11.290 -5.023 1.00 0.00 N ATOM 336 CA LEU A 23 -4.070 11.233 -5.619 1.00 0.00 C ATOM 337 C LEU A 23 -4.191 11.368 -7.137 1.00 0.00 C ATOM 338 O LEU A 23 -3.194 11.569 -7.828 1.00 0.00 O ATOM 339 CB LEU A 23 -3.334 9.968 -5.169 1.00 0.00 C ATOM 340 CG LEU A 23 -3.496 9.583 -3.698 1.00 0.00 C ATOM 341 CD1 LEU A 23 -3.244 8.089 -3.491 1.00 0.00 C ATOM 342 CD2 LEU A 23 -2.603 10.445 -2.804 1.00 0.00 C ATOM 0 H LEU A 23 -5.910 10.410 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.461 12.068 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.678 9.135 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.271 10.098 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.528 9.778 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.366 7.842 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.957 7.514 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.230 7.844 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.738 10.151 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.560 10.305 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.874 11.494 -2.922 1.00 0.00 H new ATOM 354 N SER A 24 -5.423 11.252 -7.612 1.00 0.00 N ATOM 355 CA SER A 24 -5.689 11.358 -9.036 1.00 0.00 C ATOM 356 C SER A 24 -4.762 10.421 -9.813 1.00 0.00 C ATOM 357 O SER A 24 -4.595 10.569 -11.023 1.00 0.00 O ATOM 358 CB SER A 24 -5.516 12.798 -9.523 1.00 0.00 C ATOM 359 OG SER A 24 -6.386 13.104 -10.609 1.00 0.00 O ATOM 0 H SER A 24 -6.248 11.086 -7.035 1.00 0.00 H new ATOM 0 HA SER A 24 -6.724 11.065 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.710 13.485 -8.699 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.482 12.954 -9.832 1.00 0.00 H new ATOM 0 HG SER A 24 -6.245 14.033 -10.889 1.00 0.00 H new ATOM 365 N LEU A 25 -4.183 9.478 -9.086 1.00 0.00 N ATOM 366 CA LEU A 25 -3.277 8.516 -9.692 1.00 0.00 C ATOM 367 C LEU A 25 -4.091 7.387 -10.328 1.00 0.00 C ATOM 368 O LEU A 25 -5.285 7.253 -10.065 1.00 0.00 O ATOM 369 CB LEU A 25 -2.248 8.030 -8.669 1.00 0.00 C ATOM 370 CG LEU A 25 -2.677 6.851 -7.794 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.158 6.950 -7.427 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.340 5.519 -8.467 1.00 0.00 C ATOM 0 H LEU A 25 -4.323 9.359 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.702 8.985 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.340 7.749 -9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.990 8.865 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.112 6.893 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.436 6.099 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.336 7.875 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.759 6.947 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.655 4.697 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.860 5.452 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.265 5.457 -8.634 1.00 0.00 H new ATOM 384 N PRO A 26 -3.393 6.583 -11.176 1.00 0.00 N ATOM 385 CA PRO A 26 -4.038 5.470 -11.851 1.00 0.00 C ATOM 386 C PRO A 26 -4.274 4.307 -10.888 1.00 0.00 C ATOM 387 O PRO A 26 -3.328 3.760 -10.323 1.00 0.00 O ATOM 388 CB PRO A 26 -3.103 5.112 -12.997 1.00 0.00 C ATOM 389 CG PRO A 26 -1.758 5.725 -12.644 1.00 0.00 C ATOM 390 CD PRO A 26 -1.978 6.712 -11.509 1.00 0.00 C ATOM 0 HA PRO A 26 -5.030 5.722 -12.226 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.022 4.031 -13.112 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.476 5.506 -13.943 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.052 4.950 -12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.329 6.229 -13.510 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.346 6.478 -10.652 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.734 7.729 -11.816 1.00 0.00 H new ATOM 398 N ASP A 27 -5.544 3.962 -10.728 1.00 0.00 N ATOM 399 CA ASP A 27 -5.919 2.873 -9.842 1.00 0.00 C ATOM 400 C ASP A 27 -5.424 1.550 -10.429 1.00 0.00 C ATOM 401 O ASP A 27 -5.629 0.490 -9.841 1.00 0.00 O ATOM 402 CB ASP A 27 -7.439 2.783 -9.690 1.00 0.00 C ATOM 403 CG ASP A 27 -8.195 2.419 -10.968 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.547 2.435 -12.036 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.407 2.131 -10.849 1.00 0.00 O ATOM 0 H ASP A 27 -6.326 4.418 -11.197 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.470 3.063 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.669 2.041 -8.925 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.810 3.741 -9.326 1.00 0.00 H new ATOM 410 N SER A 28 -4.783 1.655 -11.584 1.00 0.00 N ATOM 411 CA SER A 28 -4.257 0.479 -12.258 1.00 0.00 C ATOM 412 C SER A 28 -2.904 0.092 -11.655 1.00 0.00 C ATOM 413 O SER A 28 -2.626 -1.088 -11.455 1.00 0.00 O ATOM 414 CB SER A 28 -4.117 0.724 -13.761 1.00 0.00 C ATOM 415 OG SER A 28 -3.410 1.929 -14.044 1.00 0.00 O ATOM 0 H SER A 28 -4.616 2.536 -12.070 1.00 0.00 H new ATOM 0 HA SER A 28 -4.960 -0.342 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.596 -0.117 -14.218 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.107 0.770 -14.214 1.00 0.00 H new ATOM 0 HG SER A 28 -3.341 2.048 -15.014 1.00 0.00 H new ATOM 421 N VAL A 29 -2.100 1.110 -11.384 1.00 0.00 N ATOM 422 CA VAL A 29 -0.784 0.890 -10.808 1.00 0.00 C ATOM 423 C VAL A 29 -0.937 0.304 -9.403 1.00 0.00 C ATOM 424 O VAL A 29 -0.147 -0.544 -8.991 1.00 0.00 O ATOM 425 CB VAL A 29 0.019 2.192 -10.829 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.037 2.803 -12.231 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.525 3.188 -9.803 1.00 0.00 C ATOM 0 H VAL A 29 -2.334 2.088 -11.552 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.223 0.167 -11.401 1.00 0.00 H new ATOM 0 HB VAL A 29 1.047 1.956 -10.554 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.614 3.727 -12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.493 2.100 -12.928 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.984 3.017 -12.548 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.063 4.105 -9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.566 3.416 -10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.461 2.754 -8.805 1.00 0.00 H new ATOM 437 N VAL A 30 -1.961 0.778 -8.707 1.00 0.00 N ATOM 438 CA VAL A 30 -2.228 0.313 -7.358 1.00 0.00 C ATOM 439 C VAL A 30 -2.873 -1.074 -7.420 1.00 0.00 C ATOM 440 O VAL A 30 -2.673 -1.895 -6.527 1.00 0.00 O ATOM 441 CB VAL A 30 -3.083 1.337 -6.610 1.00 0.00 C ATOM 442 CG1 VAL A 30 -2.360 2.681 -6.502 1.00 0.00 C ATOM 443 CG2 VAL A 30 -4.450 1.502 -7.277 1.00 0.00 C ATOM 0 H VAL A 30 -2.615 1.480 -9.053 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.299 0.215 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.246 0.962 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.990 3.391 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.423 2.548 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.152 3.063 -7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.038 2.236 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.315 1.843 -8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.972 0.545 -7.278 1.00 0.00 H new ATOM 453 N ALA A 31 -3.634 -1.290 -8.483 1.00 0.00 N ATOM 454 CA ALA A 31 -4.310 -2.562 -8.673 1.00 0.00 C ATOM 455 C ALA A 31 -3.271 -3.650 -8.953 1.00 0.00 C ATOM 456 O ALA A 31 -3.569 -4.839 -8.854 1.00 0.00 O ATOM 457 CB ALA A 31 -5.335 -2.431 -9.800 1.00 0.00 C ATOM 0 H ALA A 31 -3.797 -0.606 -9.221 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.851 -2.848 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.842 -3.385 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.067 -1.666 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.828 -2.148 -10.722 1.00 0.00 H new ATOM 463 N ASP A 32 -2.071 -3.203 -9.297 1.00 0.00 N ATOM 464 CA ASP A 32 -0.987 -4.123 -9.591 1.00 0.00 C ATOM 465 C ASP A 32 -0.387 -4.634 -8.280 1.00 0.00 C ATOM 466 O ASP A 32 0.173 -5.728 -8.235 1.00 0.00 O ATOM 467 CB ASP A 32 0.125 -3.431 -10.383 1.00 0.00 C ATOM 468 CG ASP A 32 1.044 -4.370 -11.165 1.00 0.00 C ATOM 469 OD1 ASP A 32 0.906 -5.595 -10.965 1.00 0.00 O ATOM 470 OD2 ASP A 32 1.866 -3.840 -11.944 1.00 0.00 O ATOM 0 H ASP A 32 -1.827 -2.216 -9.378 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.393 -4.943 -10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.330 -2.729 -11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.732 -2.846 -9.692 1.00 0.00 H new ATOM 475 N LEU A 33 -0.521 -3.817 -7.247 1.00 0.00 N ATOM 476 CA LEU A 33 0.001 -4.172 -5.939 1.00 0.00 C ATOM 477 C LEU A 33 -0.481 -5.574 -5.565 1.00 0.00 C ATOM 478 O LEU A 33 0.317 -6.428 -5.181 1.00 0.00 O ATOM 479 CB LEU A 33 -0.363 -3.101 -4.908 1.00 0.00 C ATOM 480 CG LEU A 33 0.306 -3.234 -3.538 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.671 -2.883 -2.415 1.00 0.00 C ATOM 482 CD2 LEU A 33 0.910 -4.628 -3.357 1.00 0.00 C ATOM 0 H LEU A 33 -0.984 -2.909 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 33 1.090 -4.205 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.108 -2.125 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.444 -3.114 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 33 1.126 -2.518 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.171 -2.986 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.013 -1.856 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.526 -3.557 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.379 -4.697 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.123 -5.378 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.658 -4.804 -4.130 1.00 0.00 H new ATOM 494 N TYR A 34 -1.786 -5.769 -5.691 1.00 0.00 N ATOM 495 CA TYR A 34 -2.385 -7.054 -5.371 1.00 0.00 C ATOM 496 C TYR A 34 -1.825 -8.159 -6.270 1.00 0.00 C ATOM 497 O TYR A 34 -1.887 -9.337 -5.924 1.00 0.00 O ATOM 498 CB TYR A 34 -3.882 -6.901 -5.644 1.00 0.00 C ATOM 499 CG TYR A 34 -4.777 -7.523 -4.570 1.00 0.00 C ATOM 500 CD1 TYR A 34 -4.372 -8.670 -3.915 1.00 0.00 C ATOM 501 CD2 TYR A 34 -5.988 -6.941 -4.258 1.00 0.00 C ATOM 502 CE1 TYR A 34 -5.215 -9.255 -2.904 1.00 0.00 C ATOM 503 CE2 TYR A 34 -6.831 -7.527 -3.248 1.00 0.00 C ATOM 504 CZ TYR A 34 -6.402 -8.656 -2.620 1.00 0.00 C ATOM 505 OH TYR A 34 -7.198 -9.210 -1.666 1.00 0.00 O ATOM 0 H TYR A 34 -2.445 -5.059 -6.010 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.174 -7.329 -4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.119 -5.840 -5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.114 -7.359 -6.606 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.425 -9.127 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.304 -6.045 -4.772 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.911 -10.150 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.781 -7.081 -2.995 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.404 -10.137 -1.910 1.00 0.00 H new ATOM 515 N ASN A 35 -1.290 -7.738 -7.407 1.00 0.00 N ATOM 516 CA ASN A 35 -0.721 -8.677 -8.359 1.00 0.00 C ATOM 517 C ASN A 35 0.727 -8.981 -7.963 1.00 0.00 C ATOM 518 O ASN A 35 1.041 -10.098 -7.557 1.00 0.00 O ATOM 519 CB ASN A 35 -0.711 -8.093 -9.771 1.00 0.00 C ATOM 520 CG ASN A 35 -1.563 -8.939 -10.721 1.00 0.00 C ATOM 521 OD1 ASN A 35 -2.401 -8.442 -11.453 1.00 0.00 O ATOM 522 ND2 ASN A 35 -1.302 -10.241 -10.664 1.00 0.00 N ATOM 0 H ASN A 35 -1.239 -6.759 -7.690 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.331 -9.580 -8.348 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.091 -7.071 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.313 -8.044 -10.141 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.818 -10.891 -11.257 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.586 -10.590 -10.027 1.00 0.00 H new ATOM 529 N PHE A 36 1.568 -7.966 -8.096 1.00 0.00 N ATOM 530 CA PHE A 36 2.974 -8.111 -7.759 1.00 0.00 C ATOM 531 C PHE A 36 3.760 -6.852 -8.134 1.00 0.00 C ATOM 532 O PHE A 36 4.848 -6.942 -8.703 1.00 0.00 O ATOM 533 CB PHE A 36 3.509 -9.293 -8.569 1.00 0.00 C ATOM 534 CG PHE A 36 3.112 -9.266 -10.046 1.00 0.00 C ATOM 535 CD1 PHE A 36 3.860 -8.566 -10.939 1.00 0.00 C ATOM 536 CD2 PHE A 36 2.009 -9.943 -10.466 1.00 0.00 C ATOM 537 CE1 PHE A 36 3.492 -8.542 -12.311 1.00 0.00 C ATOM 538 CE2 PHE A 36 1.640 -9.918 -11.836 1.00 0.00 C ATOM 539 CZ PHE A 36 2.389 -9.217 -12.729 1.00 0.00 C ATOM 0 H PHE A 36 1.303 -7.040 -8.432 1.00 0.00 H new ATOM 0 HA PHE A 36 3.085 -8.270 -6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.596 -9.308 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.147 -10.219 -8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.735 -8.028 -10.605 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.414 -10.499 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.088 -7.988 -13.021 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.765 -10.455 -12.169 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.107 -9.197 -13.771 1.00 0.00 H new ATOM 549 N TRP A 37 3.179 -5.708 -7.801 1.00 0.00 N ATOM 550 CA TRP A 37 3.811 -4.435 -8.098 1.00 0.00 C ATOM 551 C TRP A 37 4.682 -4.051 -6.899 1.00 0.00 C ATOM 552 O TRP A 37 5.317 -2.996 -6.902 1.00 0.00 O ATOM 553 CB TRP A 37 2.767 -3.371 -8.442 1.00 0.00 C ATOM 554 CG TRP A 37 3.076 -1.986 -7.868 1.00 0.00 C ATOM 555 CD1 TRP A 37 3.293 -0.846 -8.535 1.00 0.00 C ATOM 556 CD2 TRP A 37 3.192 -1.643 -6.472 1.00 0.00 C ATOM 557 NE1 TRP A 37 3.540 0.205 -7.676 1.00 0.00 N ATOM 558 CE2 TRP A 37 3.476 -0.295 -6.380 1.00 0.00 C ATOM 559 CE3 TRP A 37 3.061 -2.442 -5.322 1.00 0.00 C ATOM 560 CZ2 TRP A 37 3.655 0.371 -5.161 1.00 0.00 C ATOM 561 CZ3 TRP A 37 3.241 -1.762 -4.112 1.00 0.00 C ATOM 562 CH2 TRP A 37 3.528 -0.406 -4.004 1.00 0.00 C ATOM 0 H TRP A 37 2.278 -5.637 -7.329 1.00 0.00 H new ATOM 0 HA TRP A 37 4.446 -4.515 -8.980 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.686 -3.294 -9.526 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.795 -3.698 -8.072 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.277 -0.760 -9.611 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.734 1.170 -7.942 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.839 -3.498 -5.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.879 1.427 -5.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.151 -2.331 -3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.652 0.046 -3.031 1.00 0.00 H new ATOM 573 N LYS A 38 4.686 -4.927 -5.906 1.00 0.00 N ATOM 574 CA LYS A 38 5.470 -4.694 -4.704 1.00 0.00 C ATOM 575 C LYS A 38 6.864 -4.200 -5.098 1.00 0.00 C ATOM 576 O LYS A 38 7.303 -3.143 -4.648 1.00 0.00 O ATOM 577 CB LYS A 38 5.485 -5.943 -3.823 1.00 0.00 C ATOM 578 CG LYS A 38 4.295 -5.949 -2.860 1.00 0.00 C ATOM 579 CD LYS A 38 3.637 -7.329 -2.811 1.00 0.00 C ATOM 580 CE LYS A 38 3.168 -7.662 -1.394 1.00 0.00 C ATOM 581 NZ LYS A 38 1.901 -8.428 -1.435 1.00 0.00 N ATOM 0 H LYS A 38 4.159 -5.800 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 38 5.014 -3.912 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.455 -6.835 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.416 -5.982 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.629 -5.666 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.564 -5.204 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.788 -7.356 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.344 -8.085 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.934 -8.241 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.026 -6.743 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.596 -8.646 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.169 -7.862 -1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.048 -9.314 -1.959 1.00 0.00 H new ATOM 595 N ASP A 39 7.522 -4.991 -5.934 1.00 0.00 N ATOM 596 CA ASP A 39 8.857 -4.649 -6.393 1.00 0.00 C ATOM 597 C ASP A 39 8.830 -3.265 -7.044 1.00 0.00 C ATOM 598 O ASP A 39 9.783 -2.499 -6.926 1.00 0.00 O ATOM 599 CB ASP A 39 9.356 -5.653 -7.435 1.00 0.00 C ATOM 600 CG ASP A 39 10.603 -5.217 -8.206 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.627 -4.968 -7.535 1.00 0.00 O ATOM 602 OD2 ASP A 39 10.504 -5.144 -9.451 1.00 0.00 O ATOM 0 H ASP A 39 7.155 -5.867 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 39 9.523 -4.664 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.568 -6.598 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.554 -5.843 -8.148 1.00 0.00 H new ATOM 607 N ASP A 40 7.723 -2.986 -7.718 1.00 0.00 N ATOM 608 CA ASP A 40 7.558 -1.707 -8.389 1.00 0.00 C ATOM 609 C ASP A 40 7.357 -0.610 -7.343 1.00 0.00 C ATOM 610 O ASP A 40 6.226 -0.229 -7.045 1.00 0.00 O ATOM 611 CB ASP A 40 6.330 -1.719 -9.303 1.00 0.00 C ATOM 612 CG ASP A 40 6.175 -0.486 -10.193 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.211 0.630 -9.630 1.00 0.00 O ATOM 614 OD2 ASP A 40 6.024 -0.686 -11.418 1.00 0.00 O ATOM 0 H ASP A 40 6.932 -3.623 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 40 8.451 -1.522 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.377 -2.603 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.437 -1.817 -8.686 1.00 0.00 H new ATOM 619 N TYR A 41 8.474 -0.131 -6.814 1.00 0.00 N ATOM 620 CA TYR A 41 8.436 0.917 -5.807 1.00 0.00 C ATOM 621 C TYR A 41 8.287 2.295 -6.455 1.00 0.00 C ATOM 622 O TYR A 41 8.327 2.418 -7.678 1.00 0.00 O ATOM 623 CB TYR A 41 9.779 0.851 -5.078 1.00 0.00 C ATOM 624 CG TYR A 41 9.975 1.949 -4.032 1.00 0.00 C ATOM 625 CD1 TYR A 41 9.208 1.952 -2.884 1.00 0.00 C ATOM 626 CD2 TYR A 41 10.917 2.936 -4.234 1.00 0.00 C ATOM 627 CE1 TYR A 41 9.391 2.986 -1.899 1.00 0.00 C ATOM 628 CE2 TYR A 41 11.100 3.970 -3.249 1.00 0.00 C ATOM 629 CZ TYR A 41 10.329 3.943 -2.130 1.00 0.00 C ATOM 630 OH TYR A 41 10.501 4.921 -1.198 1.00 0.00 O ATOM 0 H TYR A 41 9.410 -0.449 -7.064 1.00 0.00 H new ATOM 0 HA TYR A 41 7.589 0.774 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.869 -0.120 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.582 0.915 -5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.471 1.179 -2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.518 2.933 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.797 3.001 -0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 41 11.833 4.749 -3.396 1.00 0.00 H new ATOM 0 HH TYR A 41 11.205 5.535 -1.495 1.00 0.00 H new ATOM 640 N VAL A 42 8.117 3.297 -5.605 1.00 0.00 N ATOM 641 CA VAL A 42 7.962 4.661 -6.078 1.00 0.00 C ATOM 642 C VAL A 42 8.915 4.901 -7.251 1.00 0.00 C ATOM 643 O VAL A 42 8.622 5.700 -8.141 1.00 0.00 O ATOM 644 CB VAL A 42 8.176 5.644 -4.924 1.00 0.00 C ATOM 645 CG1 VAL A 42 8.356 7.071 -5.446 1.00 0.00 C ATOM 646 CG2 VAL A 42 7.024 5.568 -3.920 1.00 0.00 C ATOM 0 H VAL A 42 8.083 3.191 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 42 6.948 4.825 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 42 9.092 5.359 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.506 7.749 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.224 7.111 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.466 7.371 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.200 6.276 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.088 5.815 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.962 4.559 -3.513 1.00 0.00 H new ATOM 656 N MET A 43 10.034 4.193 -7.216 1.00 0.00 N ATOM 657 CA MET A 43 11.032 4.320 -8.267 1.00 0.00 C ATOM 658 C MET A 43 10.370 4.400 -9.644 1.00 0.00 C ATOM 659 O MET A 43 10.938 4.966 -10.576 1.00 0.00 O ATOM 660 CB MET A 43 11.973 3.114 -8.223 1.00 0.00 C ATOM 661 CG MET A 43 13.168 3.318 -9.158 1.00 0.00 C ATOM 662 SD MET A 43 13.059 2.193 -10.539 1.00 0.00 S ATOM 663 CE MET A 43 14.748 2.245 -11.114 1.00 0.00 C ATOM 0 H MET A 43 10.273 3.530 -6.478 1.00 0.00 H new ATOM 0 HA MET A 43 11.594 5.239 -8.101 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.326 2.961 -7.203 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.430 2.214 -8.511 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.188 4.347 -9.517 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.098 3.151 -8.615 1.00 0.00 H new ATOM 0 HE1 MET A 43 14.875 1.540 -11.935 1.00 0.00 H new ATOM 0 HE2 MET A 43 14.984 3.251 -11.460 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.419 1.976 -10.298 1.00 0.00 H new ATOM 673 N THR A 44 9.179 3.825 -9.729 1.00 0.00 N ATOM 674 CA THR A 44 8.435 3.825 -10.976 1.00 0.00 C ATOM 675 C THR A 44 7.150 4.643 -10.831 1.00 0.00 C ATOM 676 O THR A 44 6.906 5.567 -11.606 1.00 0.00 O ATOM 677 CB THR A 44 8.186 2.370 -11.378 1.00 0.00 C ATOM 678 OG1 THR A 44 9.357 2.007 -12.107 1.00 0.00 O ATOM 679 CG2 THR A 44 7.054 2.230 -12.398 1.00 0.00 C ATOM 0 H THR A 44 8.711 3.356 -8.954 1.00 0.00 H new ATOM 0 HA THR A 44 9.001 4.306 -11.774 1.00 0.00 H new ATOM 0 HB THR A 44 7.949 1.783 -10.491 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.282 1.076 -12.405 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.919 1.178 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.131 2.623 -11.973 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.305 2.789 -13.299 1.00 0.00 H new ATOM 687 N ASP A 45 6.362 4.274 -9.832 1.00 0.00 N ATOM 688 CA ASP A 45 5.108 4.961 -9.575 1.00 0.00 C ATOM 689 C ASP A 45 5.012 5.299 -8.085 1.00 0.00 C ATOM 690 O ASP A 45 4.722 4.428 -7.266 1.00 0.00 O ATOM 691 CB ASP A 45 3.911 4.080 -9.938 1.00 0.00 C ATOM 692 CG ASP A 45 2.714 4.826 -10.531 1.00 0.00 C ATOM 693 OD1 ASP A 45 2.749 5.071 -11.756 1.00 0.00 O ATOM 694 OD2 ASP A 45 1.793 5.136 -9.745 1.00 0.00 O ATOM 0 H ASP A 45 6.568 3.508 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 45 5.088 5.864 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.239 3.324 -10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.583 3.552 -9.043 1.00 0.00 H new ATOM 699 N ARG A 46 5.260 6.563 -7.781 1.00 0.00 N ATOM 700 CA ARG A 46 5.206 7.027 -6.404 1.00 0.00 C ATOM 701 C ARG A 46 3.775 6.931 -5.868 1.00 0.00 C ATOM 702 O ARG A 46 3.562 6.503 -4.735 1.00 0.00 O ATOM 703 CB ARG A 46 5.690 8.474 -6.290 1.00 0.00 C ATOM 704 CG ARG A 46 5.427 9.030 -4.889 1.00 0.00 C ATOM 705 CD ARG A 46 4.578 10.301 -4.955 1.00 0.00 C ATOM 706 NE ARG A 46 5.388 11.426 -5.469 1.00 0.00 N ATOM 707 CZ ARG A 46 5.090 12.719 -5.274 1.00 0.00 C ATOM 708 NH1 ARG A 46 3.998 13.056 -4.576 1.00 0.00 N ATOM 709 NH2 ARG A 46 5.883 13.672 -5.778 1.00 0.00 N ATOM 0 H ARG A 46 5.499 7.282 -8.464 1.00 0.00 H new ATOM 0 HA ARG A 46 5.863 6.389 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.756 8.523 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.182 9.091 -7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.918 8.279 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.375 9.246 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.715 10.138 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.193 10.543 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 46 6.227 11.205 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.393 12.329 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.771 14.039 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.714 13.415 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.656 14.655 -5.630 1.00 0.00 H new ATOM 723 N LEU A 47 2.835 7.334 -6.708 1.00 0.00 N ATOM 724 CA LEU A 47 1.431 7.299 -6.333 1.00 0.00 C ATOM 725 C LEU A 47 1.103 5.931 -5.732 1.00 0.00 C ATOM 726 O LEU A 47 0.407 5.843 -4.722 1.00 0.00 O ATOM 727 CB LEU A 47 0.548 7.675 -7.526 1.00 0.00 C ATOM 728 CG LEU A 47 1.049 8.833 -8.392 1.00 0.00 C ATOM 729 CD1 LEU A 47 1.750 9.891 -7.540 1.00 0.00 C ATOM 730 CD2 LEU A 47 1.943 8.323 -9.524 1.00 0.00 C ATOM 0 H LEU A 47 3.017 7.687 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 47 1.223 8.044 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.434 6.796 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.444 7.929 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 47 0.186 9.313 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.096 10.703 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.052 10.284 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.602 9.442 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.286 9.166 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.804 7.804 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.377 7.636 -10.153 1.00 0.00 H new ATOM 742 N ALA A 48 1.618 4.896 -6.380 1.00 0.00 N ATOM 743 CA ALA A 48 1.388 3.537 -5.923 1.00 0.00 C ATOM 744 C ALA A 48 1.860 3.404 -4.473 1.00 0.00 C ATOM 745 O ALA A 48 1.332 2.592 -3.716 1.00 0.00 O ATOM 746 CB ALA A 48 2.098 2.556 -6.859 1.00 0.00 C ATOM 0 H ALA A 48 2.194 4.972 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 48 0.325 3.299 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.925 1.536 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.707 2.670 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.168 2.763 -6.859 1.00 0.00 H new ATOM 752 N GLY A 49 2.848 4.218 -4.129 1.00 0.00 N ATOM 753 CA GLY A 49 3.397 4.201 -2.784 1.00 0.00 C ATOM 754 C GLY A 49 2.538 5.036 -1.832 1.00 0.00 C ATOM 755 O GLY A 49 2.504 4.774 -0.631 1.00 0.00 O ATOM 0 H GLY A 49 3.282 4.893 -4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.453 3.174 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.415 4.590 -2.798 1.00 0.00 H new ATOM 759 N CYS A 50 1.869 6.026 -2.405 1.00 0.00 N ATOM 760 CA CYS A 50 1.013 6.901 -1.622 1.00 0.00 C ATOM 761 C CYS A 50 -0.376 6.268 -1.542 1.00 0.00 C ATOM 762 O CYS A 50 -0.972 6.201 -0.467 1.00 0.00 O ATOM 763 CB CYS A 50 0.965 8.314 -2.207 1.00 0.00 C ATOM 764 SG CYS A 50 1.830 9.586 -1.214 1.00 0.00 S ATOM 0 H CYS A 50 1.902 6.241 -3.401 1.00 0.00 H new ATOM 0 HA CYS A 50 1.419 7.008 -0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.402 8.294 -3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.078 8.610 -2.321 1.00 0.00 H new ATOM 769 N ALA A 51 -0.855 5.820 -2.694 1.00 0.00 N ATOM 770 CA ALA A 51 -2.165 5.195 -2.766 1.00 0.00 C ATOM 771 C ALA A 51 -2.233 4.043 -1.762 1.00 0.00 C ATOM 772 O ALA A 51 -3.193 3.936 -1.001 1.00 0.00 O ATOM 773 CB ALA A 51 -2.429 4.732 -4.202 1.00 0.00 C ATOM 0 H ALA A 51 -0.360 5.877 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.946 5.908 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.411 4.263 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.398 5.591 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.666 4.013 -4.498 1.00 0.00 H new ATOM 779 N ILE A 52 -1.201 3.214 -1.790 1.00 0.00 N ATOM 780 CA ILE A 52 -1.132 2.074 -0.890 1.00 0.00 C ATOM 781 C ILE A 52 -1.300 2.557 0.551 1.00 0.00 C ATOM 782 O ILE A 52 -2.093 2.001 1.308 1.00 0.00 O ATOM 783 CB ILE A 52 0.156 1.282 -1.127 1.00 0.00 C ATOM 784 CG1 ILE A 52 0.160 -0.013 -0.312 1.00 0.00 C ATOM 785 CG2 ILE A 52 1.389 2.143 -0.842 1.00 0.00 C ATOM 786 CD1 ILE A 52 -1.245 -0.613 -0.229 1.00 0.00 C ATOM 0 H ILE A 52 -0.405 3.308 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.948 1.380 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 52 0.196 1.001 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.840 -0.732 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.534 0.186 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.291 1.557 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.387 3.011 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.369 2.475 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.214 -1.532 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.917 0.099 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.606 -0.834 -1.233 1.00 0.00 H new ATOM 798 N ASN A 53 -0.540 3.590 0.888 1.00 0.00 N ATOM 799 CA ASN A 53 -0.596 4.156 2.225 1.00 0.00 C ATOM 800 C ASN A 53 -2.025 4.615 2.523 1.00 0.00 C ATOM 801 O ASN A 53 -2.536 4.396 3.620 1.00 0.00 O ATOM 802 CB ASN A 53 0.325 5.371 2.349 1.00 0.00 C ATOM 803 CG ASN A 53 1.418 5.127 3.392 1.00 0.00 C ATOM 804 OD1 ASN A 53 2.334 4.345 3.197 1.00 0.00 O ATOM 805 ND2 ASN A 53 1.271 5.837 4.506 1.00 0.00 N ATOM 0 H ASN A 53 0.118 4.049 0.258 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.276 3.387 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.781 5.586 1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.259 6.248 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.949 5.745 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.480 6.474 4.604 1.00 0.00 H new ATOM 812 N CYS A 54 -2.631 5.241 1.524 1.00 0.00 N ATOM 813 CA CYS A 54 -3.991 5.732 1.664 1.00 0.00 C ATOM 814 C CYS A 54 -4.896 4.548 2.009 1.00 0.00 C ATOM 815 O CYS A 54 -5.955 4.726 2.611 1.00 0.00 O ATOM 816 CB CYS A 54 -4.462 6.462 0.405 1.00 0.00 C ATOM 817 SG CYS A 54 -5.703 5.556 -0.589 1.00 0.00 S ATOM 0 H CYS A 54 -2.205 5.419 0.615 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.033 6.467 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.883 7.424 0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.596 6.670 -0.223 1.00 0.00 H new ATOM 822 N LEU A 55 -4.447 3.366 1.615 1.00 0.00 N ATOM 823 CA LEU A 55 -5.204 2.153 1.875 1.00 0.00 C ATOM 824 C LEU A 55 -5.545 2.080 3.364 1.00 0.00 C ATOM 825 O LEU A 55 -6.608 1.585 3.738 1.00 0.00 O ATOM 826 CB LEU A 55 -4.446 0.928 1.356 1.00 0.00 C ATOM 827 CG LEU A 55 -5.292 -0.318 1.083 1.00 0.00 C ATOM 828 CD1 LEU A 55 -5.558 -0.481 -0.413 1.00 0.00 C ATOM 829 CD2 LEU A 55 -4.645 -1.564 1.691 1.00 0.00 C ATOM 0 H LEU A 55 -3.568 3.222 1.117 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.149 2.169 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.935 1.205 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.675 0.668 2.082 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.259 -0.189 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.161 -1.374 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.093 0.393 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.610 -0.579 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.266 -2.435 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.657 -1.710 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.550 -1.435 2.769 1.00 0.00 H new ATOM 841 N ALA A 56 -4.625 2.580 4.175 1.00 0.00 N ATOM 842 CA ALA A 56 -4.816 2.577 5.617 1.00 0.00 C ATOM 843 C ALA A 56 -5.818 3.669 5.995 1.00 0.00 C ATOM 844 O ALA A 56 -6.310 3.699 7.122 1.00 0.00 O ATOM 845 CB ALA A 56 -3.463 2.760 6.310 1.00 0.00 C ATOM 0 H ALA A 56 -3.745 2.990 3.862 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.227 1.624 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.605 2.758 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.797 1.944 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.023 3.709 6.004 1.00 0.00 H new ATOM 851 N THR A 57 -6.091 4.538 5.033 1.00 0.00 N ATOM 852 CA THR A 57 -7.026 5.627 5.252 1.00 0.00 C ATOM 853 C THR A 57 -7.897 5.345 6.477 1.00 0.00 C ATOM 854 O THR A 57 -7.888 6.111 7.439 1.00 0.00 O ATOM 855 CB THR A 57 -7.832 5.824 3.966 1.00 0.00 C ATOM 856 OG1 THR A 57 -8.997 6.526 4.391 1.00 0.00 O ATOM 857 CG2 THR A 57 -8.375 4.507 3.408 1.00 0.00 C ATOM 0 H THR A 57 -5.681 4.510 4.100 1.00 0.00 H new ATOM 0 HA THR A 57 -6.503 6.558 5.472 1.00 0.00 H new ATOM 0 HB THR A 57 -7.206 6.306 3.215 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.576 6.697 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.939 4.703 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.545 3.837 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.029 4.041 4.146 1.00 0.00 H new ATOM 865 N LYS A 58 -8.629 4.243 6.403 1.00 0.00 N ATOM 866 CA LYS A 58 -9.503 3.850 7.494 1.00 0.00 C ATOM 867 C LYS A 58 -8.978 2.557 8.123 1.00 0.00 C ATOM 868 O LYS A 58 -9.151 1.476 7.561 1.00 0.00 O ATOM 869 CB LYS A 58 -10.952 3.756 7.014 1.00 0.00 C ATOM 870 CG LYS A 58 -11.589 5.143 6.919 1.00 0.00 C ATOM 871 CD LYS A 58 -12.323 5.498 8.214 1.00 0.00 C ATOM 872 CE LYS A 58 -13.036 6.846 8.089 1.00 0.00 C ATOM 873 NZ LYS A 58 -12.319 7.886 8.858 1.00 0.00 N ATOM 0 H LYS A 58 -8.634 3.610 5.603 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.500 4.609 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.985 3.269 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.527 3.134 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.819 5.888 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.287 5.170 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.048 4.719 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.613 5.533 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.095 7.137 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.060 6.757 8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.817 8.794 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.285 7.614 9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.350 7.982 8.492 1.00 0.00 H new ATOM 887 N LEU A 59 -8.348 2.710 9.278 1.00 0.00 N ATOM 888 CA LEU A 59 -7.798 1.569 9.987 1.00 0.00 C ATOM 889 C LEU A 59 -8.941 0.734 10.569 1.00 0.00 C ATOM 890 O LEU A 59 -8.759 -0.439 10.887 1.00 0.00 O ATOM 891 CB LEU A 59 -6.778 2.027 11.032 1.00 0.00 C ATOM 892 CG LEU A 59 -5.308 1.769 10.695 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.000 2.165 9.250 1.00 0.00 C ATOM 894 CD2 LEU A 59 -4.385 2.472 11.691 1.00 0.00 C ATOM 0 H LEU A 59 -8.206 3.608 9.740 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.249 0.924 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.910 3.097 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.006 1.530 11.975 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.120 0.699 10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.949 1.972 9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.622 1.580 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.210 3.226 9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.346 2.272 11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.567 3.546 11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.583 2.100 12.696 1.00 0.00 H new ATOM 906 N ASP A 60 -10.095 1.375 10.690 1.00 0.00 N ATOM 907 CA ASP A 60 -11.269 0.706 11.226 1.00 0.00 C ATOM 908 C ASP A 60 -11.695 -0.412 10.273 1.00 0.00 C ATOM 909 O ASP A 60 -12.170 -1.459 10.712 1.00 0.00 O ATOM 910 CB ASP A 60 -12.441 1.680 11.368 1.00 0.00 C ATOM 911 CG ASP A 60 -12.441 2.510 12.653 1.00 0.00 C ATOM 912 OD1 ASP A 60 -12.219 1.901 13.722 1.00 0.00 O ATOM 913 OD2 ASP A 60 -12.662 3.734 12.537 1.00 0.00 O ATOM 0 H ASP A 60 -10.242 2.349 10.426 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.011 0.307 12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.435 2.359 10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.372 1.115 11.319 1.00 0.00 H new ATOM 918 N VAL A 61 -11.509 -0.152 8.988 1.00 0.00 N ATOM 919 CA VAL A 61 -11.869 -1.124 7.968 1.00 0.00 C ATOM 920 C VAL A 61 -10.720 -2.118 7.791 1.00 0.00 C ATOM 921 O VAL A 61 -10.950 -3.311 7.596 1.00 0.00 O ATOM 922 CB VAL A 61 -12.246 -0.406 6.671 1.00 0.00 C ATOM 923 CG1 VAL A 61 -13.515 0.427 6.854 1.00 0.00 C ATOM 924 CG2 VAL A 61 -11.088 0.459 6.168 1.00 0.00 C ATOM 0 H VAL A 61 -11.114 0.717 8.629 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.747 -1.693 8.274 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.451 -1.164 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -13.760 0.927 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.339 -0.225 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.351 1.173 7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.381 0.959 5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.838 1.206 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.219 -0.171 5.979 1.00 0.00 H new ATOM 934 N VAL A 62 -9.507 -1.590 7.863 1.00 0.00 N ATOM 935 CA VAL A 62 -8.321 -2.417 7.713 1.00 0.00 C ATOM 936 C VAL A 62 -8.194 -3.345 8.923 1.00 0.00 C ATOM 937 O VAL A 62 -7.919 -4.535 8.771 1.00 0.00 O ATOM 938 CB VAL A 62 -7.090 -1.533 7.505 1.00 0.00 C ATOM 939 CG1 VAL A 62 -5.885 -2.081 8.272 1.00 0.00 C ATOM 940 CG2 VAL A 62 -6.769 -1.381 6.016 1.00 0.00 C ATOM 0 H VAL A 62 -9.320 -0.600 8.023 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.405 -3.048 6.828 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.318 -0.544 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.024 -1.434 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.116 -2.113 9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.656 -3.087 7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.890 -0.748 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.571 -2.362 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.617 -0.924 5.506 1.00 0.00 H new ATOM 950 N ASP A 63 -8.399 -2.765 10.095 1.00 0.00 N ATOM 951 CA ASP A 63 -8.310 -3.525 11.331 1.00 0.00 C ATOM 952 C ASP A 63 -9.562 -3.269 12.173 1.00 0.00 C ATOM 953 O ASP A 63 -9.727 -2.188 12.735 1.00 0.00 O ATOM 954 CB ASP A 63 -7.092 -3.099 12.154 1.00 0.00 C ATOM 955 CG ASP A 63 -6.761 -1.607 12.094 1.00 0.00 C ATOM 956 OD1 ASP A 63 -7.427 -0.847 12.828 1.00 0.00 O ATOM 957 OD2 ASP A 63 -5.849 -1.259 11.311 1.00 0.00 O ATOM 0 H ASP A 63 -8.626 -1.778 10.216 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.219 -4.580 11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.260 -3.377 13.194 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.225 -3.662 11.810 1.00 0.00 H new ATOM 962 N PRO A 64 -10.436 -4.310 12.235 1.00 0.00 N ATOM 963 CA PRO A 64 -11.667 -4.209 12.998 1.00 0.00 C ATOM 964 C PRO A 64 -11.392 -4.306 14.500 1.00 0.00 C ATOM 965 O PRO A 64 -11.971 -3.564 15.292 1.00 0.00 O ATOM 966 CB PRO A 64 -12.545 -5.337 12.482 1.00 0.00 C ATOM 967 CG PRO A 64 -11.606 -6.308 11.784 1.00 0.00 C ATOM 968 CD PRO A 64 -10.274 -5.605 11.582 1.00 0.00 C ATOM 0 HA PRO A 64 -12.162 -3.246 12.870 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.075 -5.825 13.300 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.301 -4.960 11.793 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.475 -7.209 12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.022 -6.620 10.826 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.456 -6.172 12.025 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.044 -5.488 10.523 1.00 0.00 H new ATOM 976 N ASP A 65 -10.506 -5.229 14.848 1.00 0.00 N ATOM 977 CA ASP A 65 -10.147 -5.432 16.240 1.00 0.00 C ATOM 978 C ASP A 65 -8.707 -4.964 16.465 1.00 0.00 C ATOM 979 O ASP A 65 -8.164 -5.117 17.559 1.00 0.00 O ATOM 980 CB ASP A 65 -10.227 -6.913 16.618 1.00 0.00 C ATOM 981 CG ASP A 65 -10.680 -7.190 18.054 1.00 0.00 C ATOM 982 OD1 ASP A 65 -10.190 -6.473 18.952 1.00 0.00 O ATOM 983 OD2 ASP A 65 -11.506 -8.113 18.220 1.00 0.00 O ATOM 0 H ASP A 65 -10.027 -5.844 14.190 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.845 -4.864 16.855 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.914 -7.411 15.934 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.246 -7.364 16.469 1.00 0.00 H new ATOM 988 N GLY A 66 -8.129 -4.405 15.412 1.00 0.00 N ATOM 989 CA GLY A 66 -6.764 -3.914 15.480 1.00 0.00 C ATOM 990 C GLY A 66 -5.786 -4.928 14.883 1.00 0.00 C ATOM 991 O GLY A 66 -4.755 -5.228 15.481 1.00 0.00 O ATOM 0 H GLY A 66 -8.582 -4.281 14.506 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.687 -2.969 14.943 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.497 -3.713 16.518 1.00 0.00 H new ATOM 995 N ASN A 67 -6.145 -5.427 13.708 1.00 0.00 N ATOM 996 CA ASN A 67 -5.312 -6.401 13.023 1.00 0.00 C ATOM 997 C ASN A 67 -3.884 -5.864 12.924 1.00 0.00 C ATOM 998 O ASN A 67 -2.921 -6.620 13.051 1.00 0.00 O ATOM 999 CB ASN A 67 -5.820 -6.658 11.604 1.00 0.00 C ATOM 1000 CG ASN A 67 -4.659 -6.919 10.644 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -3.812 -7.856 11.061 1.00 0.00 O flip ATOM 1002 ND2 ASN A 67 -4.538 -6.310 9.593 1.00 0.00 N flip ATOM 0 H ASN A 67 -7.001 -5.175 13.214 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.343 -7.331 13.591 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.495 -7.514 11.605 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.395 -5.799 11.259 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.224 -5.602 9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.751 -6.509 8.976 1.00 0.00 H new ATOM 1009 N LEU A 68 -3.789 -4.562 12.698 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.494 -3.913 12.580 1.00 0.00 C ATOM 1011 C LEU A 68 -2.694 -2.403 12.445 1.00 0.00 C ATOM 1012 O LEU A 68 -3.816 -1.910 12.552 1.00 0.00 O ATOM 1013 CB LEU A 68 -1.689 -4.532 11.435 1.00 0.00 C ATOM 1014 CG LEU A 68 -1.925 -3.933 10.048 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.195 -3.079 10.028 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -0.700 -3.149 9.573 1.00 0.00 C ATOM 0 H LEU A 68 -4.589 -3.938 12.593 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.902 -4.076 13.481 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.629 -4.441 11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.916 -5.597 11.392 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.076 -4.752 9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.339 -2.665 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.053 -3.697 10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.098 -2.266 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.895 -2.734 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.493 -2.339 10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.161 -3.815 9.524 1.00 0.00 H new ATOM 1028 N HIS A 69 -1.589 -1.711 12.213 1.00 0.00 N ATOM 1029 CA HIS A 69 -1.629 -0.266 12.063 1.00 0.00 C ATOM 1030 C HIS A 69 -0.566 0.175 11.053 1.00 0.00 C ATOM 1031 O HIS A 69 0.628 -0.001 11.288 1.00 0.00 O ATOM 1032 CB HIS A 69 -1.481 0.426 13.419 1.00 0.00 C ATOM 1033 CG HIS A 69 -2.744 0.432 14.245 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -3.463 -0.595 14.783 1.00 0.00 N flip ATOM 1035 CD2 HIS A 69 -3.402 1.597 14.601 1.00 0.00 C flip ATOM 1036 CE1 HIS A 69 -4.503 -0.086 15.431 1.00 0.00 C flip ATOM 1037 NE2 HIS A 69 -4.467 1.273 15.319 1.00 0.00 N flip ATOM 0 H HIS A 69 -0.660 -2.124 12.125 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.600 0.035 11.671 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.692 -0.069 13.984 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.160 1.455 13.257 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.099 2.600 14.338 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.254 -0.654 15.960 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.142 1.925 15.718 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.040 0.738 9.951 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.146 1.204 8.906 1.00 0.00 C ATOM 1048 C HIS A 70 1.085 1.860 9.537 1.00 0.00 C ATOM 1049 O HIS A 70 0.972 2.554 10.545 1.00 0.00 O ATOM 1050 CB HIS A 70 -0.882 2.132 7.936 1.00 0.00 C ATOM 1051 CG HIS A 70 -0.945 3.570 8.392 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -1.257 4.107 9.606 1.00 0.00 N flip ATOM 1053 CD2 HIS A 70 -0.670 4.635 7.552 1.00 0.00 C flip ATOM 1054 CE1 HIS A 70 -1.174 5.429 9.513 1.00 0.00 C flip ATOM 1055 NE2 HIS A 70 -0.811 5.758 8.240 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.032 0.882 9.760 1.00 0.00 H new ATOM 0 HA HIS A 70 0.201 0.357 8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.389 2.091 6.965 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.897 1.761 7.794 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.511 3.582 10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.388 4.563 6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.363 6.129 10.314 1.00 0.00 H new ATOM 1064 N GLY A 71 2.229 1.617 8.917 1.00 0.00 N ATOM 1065 CA GLY A 71 3.478 2.176 9.405 1.00 0.00 C ATOM 1066 C GLY A 71 4.028 1.353 10.572 1.00 0.00 C ATOM 1067 O GLY A 71 5.218 1.052 10.617 1.00 0.00 O ATOM 0 H GLY A 71 2.318 1.040 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.209 2.202 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.319 3.206 9.725 1.00 0.00 H new ATOM 1071 N ASN A 72 3.132 1.013 11.487 1.00 0.00 N ATOM 1072 CA ASN A 72 3.512 0.232 12.652 1.00 0.00 C ATOM 1073 C ASN A 72 2.548 -0.946 12.807 1.00 0.00 C ATOM 1074 O ASN A 72 1.569 -0.858 13.546 1.00 0.00 O ATOM 1075 CB ASN A 72 3.439 1.073 13.928 1.00 0.00 C ATOM 1076 CG ASN A 72 4.180 0.390 15.078 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.951 -0.538 14.891 1.00 0.00 O ATOM 1078 ND2 ASN A 72 3.905 0.898 16.277 1.00 0.00 N ATOM 0 H ASN A 72 2.144 1.264 11.445 1.00 0.00 H new ATOM 0 HA ASN A 72 4.535 -0.114 12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.872 2.056 13.745 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.397 1.230 14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.349 0.510 17.109 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.250 1.675 16.364 1.00 0.00 H new ATOM 1085 N ALA A 73 2.859 -2.021 12.097 1.00 0.00 N ATOM 1086 CA ALA A 73 2.032 -3.215 12.147 1.00 0.00 C ATOM 1087 C ALA A 73 2.074 -3.802 13.559 1.00 0.00 C ATOM 1088 O ALA A 73 3.151 -3.989 14.125 1.00 0.00 O ATOM 1089 CB ALA A 73 2.509 -4.209 11.086 1.00 0.00 C ATOM 0 H ALA A 73 3.672 -2.090 11.484 1.00 0.00 H new ATOM 0 HA ALA A 73 0.993 -2.973 11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.890 -5.105 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.430 -3.753 10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.547 -4.478 11.280 1.00 0.00 H new ATOM 1095 N LYS A 74 0.892 -4.076 14.087 1.00 0.00 N ATOM 1096 CA LYS A 74 0.781 -4.638 15.424 1.00 0.00 C ATOM 1097 C LYS A 74 1.504 -5.986 15.465 1.00 0.00 C ATOM 1098 O LYS A 74 1.927 -6.501 14.432 1.00 0.00 O ATOM 1099 CB LYS A 74 -0.685 -4.713 15.852 1.00 0.00 C ATOM 1100 CG LYS A 74 -0.822 -4.549 17.368 1.00 0.00 C ATOM 1101 CD LYS A 74 -1.562 -3.256 17.715 1.00 0.00 C ATOM 1102 CE LYS A 74 -0.745 -2.401 18.686 1.00 0.00 C ATOM 1103 NZ LYS A 74 -1.186 -0.990 18.629 1.00 0.00 N ATOM 0 H LYS A 74 0.002 -3.920 13.615 1.00 0.00 H new ATOM 0 HA LYS A 74 1.269 -3.991 16.153 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.256 -3.935 15.345 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.109 -5.670 15.546 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.359 -5.402 17.783 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.166 -4.541 17.827 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.760 -2.690 16.805 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.529 -3.494 18.159 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.858 -2.783 19.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.314 -2.468 18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.622 -0.423 19.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.055 -0.624 17.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.191 -0.930 18.889 1.00 0.00 H new ATOM 1117 N ASP A 75 1.625 -6.519 16.673 1.00 0.00 N ATOM 1118 CA ASP A 75 2.289 -7.796 16.865 1.00 0.00 C ATOM 1119 C ASP A 75 1.410 -8.914 16.300 1.00 0.00 C ATOM 1120 O ASP A 75 1.771 -10.088 16.367 1.00 0.00 O ATOM 1121 CB ASP A 75 2.519 -8.080 18.349 1.00 0.00 C ATOM 1122 CG ASP A 75 3.779 -7.445 18.943 1.00 0.00 C ATOM 1123 OD1 ASP A 75 4.837 -8.106 18.868 1.00 0.00 O ATOM 1124 OD2 ASP A 75 3.655 -6.312 19.457 1.00 0.00 O ATOM 0 H ASP A 75 1.274 -6.088 17.528 1.00 0.00 H new ATOM 0 HA ASP A 75 3.250 -7.756 16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.654 -7.726 18.909 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.572 -9.159 18.493 1.00 0.00 H new ATOM 1129 N PHE A 76 0.269 -8.509 15.758 1.00 0.00 N ATOM 1130 CA PHE A 76 -0.664 -9.461 15.183 1.00 0.00 C ATOM 1131 C PHE A 76 -0.325 -9.745 13.718 1.00 0.00 C ATOM 1132 O PHE A 76 -0.300 -10.901 13.295 1.00 0.00 O ATOM 1133 CB PHE A 76 -2.054 -8.826 15.259 1.00 0.00 C ATOM 1134 CG PHE A 76 -2.736 -8.983 16.620 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -2.384 -8.171 17.653 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -3.694 -9.932 16.795 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -3.017 -8.317 18.916 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -4.327 -10.076 18.058 1.00 0.00 C ATOM 1139 CZ PHE A 76 -3.975 -9.266 19.093 1.00 0.00 C ATOM 0 H PHE A 76 -0.029 -7.535 15.706 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.617 -10.404 15.728 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.971 -7.764 15.026 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.688 -9.272 14.493 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.624 -7.416 17.513 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.973 -10.576 15.974 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.737 -7.674 19.737 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.088 -10.829 18.197 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.456 -9.376 20.054 1.00 0.00 H new ATOM 1149 N ALA A 77 -0.075 -8.671 12.983 1.00 0.00 N ATOM 1150 CA ALA A 77 0.260 -8.791 11.574 1.00 0.00 C ATOM 1151 C ALA A 77 1.596 -9.522 11.433 1.00 0.00 C ATOM 1152 O ALA A 77 1.671 -10.567 10.790 1.00 0.00 O ATOM 1153 CB ALA A 77 0.285 -7.400 10.936 1.00 0.00 C ATOM 0 H ALA A 77 -0.098 -7.714 13.336 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.493 -9.378 11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.536 -7.489 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.696 -6.935 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.032 -6.784 11.436 1.00 0.00 H new ATOM 1159 N MET A 78 2.619 -8.942 12.044 1.00 0.00 N ATOM 1160 CA MET A 78 3.949 -9.525 11.995 1.00 0.00 C ATOM 1161 C MET A 78 4.061 -10.715 12.949 1.00 0.00 C ATOM 1162 O MET A 78 5.065 -10.863 13.645 1.00 0.00 O ATOM 1163 CB MET A 78 4.985 -8.465 12.375 1.00 0.00 C ATOM 1164 CG MET A 78 4.668 -7.853 13.741 1.00 0.00 C ATOM 1165 SD MET A 78 5.746 -8.543 14.984 1.00 0.00 S ATOM 1166 CE MET A 78 4.591 -9.592 15.849 1.00 0.00 C ATOM 0 H MET A 78 2.553 -8.074 12.576 1.00 0.00 H new ATOM 0 HA MET A 78 4.134 -9.879 10.981 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.978 -8.913 12.395 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.004 -7.682 11.617 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.791 -6.771 13.701 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.628 -8.046 14.002 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.502 -9.260 16.883 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.616 -9.537 15.365 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.948 -10.622 15.828 1.00 0.00 H new ATOM 1176 N LYS A 79 3.019 -11.533 12.950 1.00 0.00 N ATOM 1177 CA LYS A 79 2.989 -12.705 13.808 1.00 0.00 C ATOM 1178 C LYS A 79 2.092 -13.772 13.175 1.00 0.00 C ATOM 1179 O LYS A 79 2.527 -14.898 12.950 1.00 0.00 O ATOM 1180 CB LYS A 79 2.575 -12.319 15.229 1.00 0.00 C ATOM 1181 CG LYS A 79 2.657 -13.522 16.170 1.00 0.00 C ATOM 1182 CD LYS A 79 4.055 -13.651 16.777 1.00 0.00 C ATOM 1183 CE LYS A 79 4.113 -14.803 17.782 1.00 0.00 C ATOM 1184 NZ LYS A 79 4.516 -14.308 19.117 1.00 0.00 N ATOM 0 H LYS A 79 2.189 -11.407 12.370 1.00 0.00 H new ATOM 0 HA LYS A 79 3.986 -13.137 13.897 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.221 -11.521 15.596 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.558 -11.927 15.221 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.920 -13.416 16.966 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.409 -14.432 15.624 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.785 -13.818 15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.328 -12.719 17.271 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.138 -15.286 17.846 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.821 -15.557 17.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.550 -15.103 19.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.456 -13.867 19.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.825 -13.605 19.450 1.00 0.00 H new ATOM 1198 N HIS A 80 0.856 -13.376 12.906 1.00 0.00 N ATOM 1199 CA HIS A 80 -0.104 -14.284 12.305 1.00 0.00 C ATOM 1200 C HIS A 80 0.302 -14.578 10.859 1.00 0.00 C ATOM 1201 O HIS A 80 -0.314 -15.410 10.194 1.00 0.00 O ATOM 1202 CB HIS A 80 -1.525 -13.725 12.418 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.901 -12.776 11.305 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.993 -11.915 10.715 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -3.096 -12.564 10.681 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.624 -11.220 9.780 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.927 -11.623 9.761 1.00 0.00 N ATOM 0 H HIS A 80 0.499 -12.439 13.093 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.102 -15.230 12.846 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.231 -14.555 12.428 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.627 -13.208 13.372 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.006 -11.830 10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.022 -13.075 10.899 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.184 -10.466 9.144 1.00 0.00 H new ATOM 1216 N GLY A 81 1.338 -13.880 10.416 1.00 0.00 N ATOM 1217 CA GLY A 81 1.835 -14.056 9.063 1.00 0.00 C ATOM 1218 C GLY A 81 3.263 -13.524 8.929 1.00 0.00 C ATOM 1219 O GLY A 81 3.575 -12.804 7.982 1.00 0.00 O ATOM 0 H GLY A 81 1.846 -13.192 10.971 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.811 -15.113 8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.182 -13.536 8.362 1.00 0.00 H new ATOM 1223 N ALA A 82 4.092 -13.899 9.892 1.00 0.00 N ATOM 1224 CA ALA A 82 5.481 -13.468 9.895 1.00 0.00 C ATOM 1225 C ALA A 82 6.385 -14.679 10.125 1.00 0.00 C ATOM 1226 O ALA A 82 6.083 -15.536 10.954 1.00 0.00 O ATOM 1227 CB ALA A 82 5.676 -12.383 10.956 1.00 0.00 C ATOM 0 H ALA A 82 3.829 -14.496 10.676 1.00 0.00 H new ATOM 0 HA ALA A 82 5.751 -13.034 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.717 -12.060 10.959 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.032 -11.533 10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.418 -12.783 11.937 1.00 0.00 H new ATOM 1233 N ASP A 83 7.477 -14.712 9.375 1.00 0.00 N ATOM 1234 CA ASP A 83 8.429 -15.805 9.487 1.00 0.00 C ATOM 1235 C ASP A 83 9.451 -15.476 10.575 1.00 0.00 C ATOM 1236 O ASP A 83 9.799 -14.312 10.775 1.00 0.00 O ATOM 1237 CB ASP A 83 9.187 -16.013 8.174 1.00 0.00 C ATOM 1238 CG ASP A 83 8.916 -14.958 7.098 1.00 0.00 C ATOM 1239 OD1 ASP A 83 7.720 -14.671 6.873 1.00 0.00 O ATOM 1240 OD2 ASP A 83 9.911 -14.464 6.525 1.00 0.00 O ATOM 0 H ASP A 83 7.724 -14.000 8.688 1.00 0.00 H new ATOM 0 HA ASP A 83 7.874 -16.711 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.256 -16.027 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.929 -16.993 7.774 1.00 0.00 H new ATOM 1245 N GLU A 84 9.905 -16.521 11.251 1.00 0.00 N ATOM 1246 CA GLU A 84 10.882 -16.358 12.316 1.00 0.00 C ATOM 1247 C GLU A 84 11.975 -15.376 11.888 1.00 0.00 C ATOM 1248 O GLU A 84 12.525 -14.652 12.718 1.00 0.00 O ATOM 1249 CB GLU A 84 11.482 -17.705 12.721 1.00 0.00 C ATOM 1250 CG GLU A 84 11.785 -17.742 14.220 1.00 0.00 C ATOM 1251 CD GLU A 84 11.900 -19.184 14.721 1.00 0.00 C ATOM 1252 OE1 GLU A 84 10.868 -19.887 14.666 1.00 0.00 O ATOM 1253 OE2 GLU A 84 13.017 -19.548 15.147 1.00 0.00 O ATOM 0 H GLU A 84 9.615 -17.484 11.082 1.00 0.00 H new ATOM 0 HA GLU A 84 10.374 -15.948 13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.789 -18.507 12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.397 -17.884 12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.714 -17.209 14.420 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.997 -17.225 14.767 1.00 0.00 H new ATOM 1260 N THR A 85 12.256 -15.382 10.593 1.00 0.00 N ATOM 1261 CA THR A 85 13.274 -14.502 10.044 1.00 0.00 C ATOM 1262 C THR A 85 12.728 -13.080 9.903 1.00 0.00 C ATOM 1263 O THR A 85 13.404 -12.114 10.254 1.00 0.00 O ATOM 1264 CB THR A 85 13.756 -15.103 8.723 1.00 0.00 C ATOM 1265 OG1 THR A 85 14.983 -14.427 8.461 1.00 0.00 O ATOM 1266 CG2 THR A 85 12.860 -14.716 7.543 1.00 0.00 C ATOM 0 H THR A 85 11.797 -15.982 9.908 1.00 0.00 H new ATOM 0 HA THR A 85 14.132 -14.422 10.712 1.00 0.00 H new ATOM 0 HB THR A 85 13.794 -16.189 8.811 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.366 -14.757 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.246 -15.168 6.629 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.846 -15.072 7.724 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.849 -13.631 7.435 1.00 0.00 H new ATOM 1274 N MET A 86 11.510 -12.996 9.387 1.00 0.00 N ATOM 1275 CA MET A 86 10.868 -11.707 9.194 1.00 0.00 C ATOM 1276 C MET A 86 10.807 -10.924 10.506 1.00 0.00 C ATOM 1277 O MET A 86 10.721 -9.696 10.497 1.00 0.00 O ATOM 1278 CB MET A 86 9.448 -11.921 8.661 1.00 0.00 C ATOM 1279 CG MET A 86 8.415 -11.778 9.781 1.00 0.00 C ATOM 1280 SD MET A 86 7.990 -10.060 10.004 1.00 0.00 S ATOM 1281 CE MET A 86 6.779 -9.868 8.706 1.00 0.00 C ATOM 0 H MET A 86 10.952 -13.799 9.097 1.00 0.00 H new ATOM 0 HA MET A 86 11.454 -11.132 8.477 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.238 -11.197 7.873 1.00 0.00 H new ATOM 0 HB3 MET A 86 9.369 -12.912 8.213 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.522 -12.354 9.538 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.815 -12.186 10.710 1.00 0.00 H new ATOM 0 HE1 MET A 86 6.255 -8.921 8.835 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.279 -9.877 7.738 1.00 0.00 H new ATOM 0 HE3 MET A 86 6.063 -10.688 8.752 1.00 0.00 H new ATOM 1291 N ALA A 87 10.854 -11.664 11.605 1.00 0.00 N ATOM 1292 CA ALA A 87 10.806 -11.053 12.922 1.00 0.00 C ATOM 1293 C ALA A 87 11.966 -10.064 13.064 1.00 0.00 C ATOM 1294 O ALA A 87 11.749 -8.883 13.334 1.00 0.00 O ATOM 1295 CB ALA A 87 10.839 -12.146 13.993 1.00 0.00 C ATOM 0 H ALA A 87 10.925 -12.682 11.610 1.00 0.00 H new ATOM 0 HA ALA A 87 9.879 -10.495 13.052 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.803 -11.688 14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.980 -12.805 13.867 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.758 -12.724 13.894 1.00 0.00 H new ATOM 1301 N GLN A 88 13.169 -10.581 12.873 1.00 0.00 N ATOM 1302 CA GLN A 88 14.363 -9.758 12.975 1.00 0.00 C ATOM 1303 C GLN A 88 14.704 -9.145 11.615 1.00 0.00 C ATOM 1304 O GLN A 88 15.041 -7.965 11.528 1.00 0.00 O ATOM 1305 CB GLN A 88 15.541 -10.566 13.523 1.00 0.00 C ATOM 1306 CG GLN A 88 16.843 -9.767 13.432 1.00 0.00 C ATOM 1307 CD GLN A 88 17.869 -10.488 12.557 1.00 0.00 C ATOM 1308 OE1 GLN A 88 17.602 -10.437 11.255 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 18.840 -11.055 13.032 1.00 0.00 N flip ATOM 0 H GLN A 88 13.344 -11.560 12.648 1.00 0.00 H new ATOM 0 HA GLN A 88 14.163 -8.948 13.676 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.349 -10.838 14.561 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.641 -11.496 12.963 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.639 -8.779 13.020 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.253 -9.618 14.431 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.986 -11.056 14.041 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.505 -11.527 12.419 1.00 0.00 H new ATOM 1318 N GLN A 89 14.602 -9.974 10.586 1.00 0.00 N ATOM 1319 CA GLN A 89 14.895 -9.528 9.234 1.00 0.00 C ATOM 1320 C GLN A 89 14.323 -8.128 9.002 1.00 0.00 C ATOM 1321 O GLN A 89 15.067 -7.188 8.728 1.00 0.00 O ATOM 1322 CB GLN A 89 14.357 -10.519 8.202 1.00 0.00 C ATOM 1323 CG GLN A 89 15.268 -11.742 8.088 1.00 0.00 C ATOM 1324 CD GLN A 89 16.673 -11.339 7.636 1.00 0.00 C ATOM 1325 OE1 GLN A 89 16.728 -10.878 6.389 1.00 0.00 O flip ATOM 1326 NE2 GLN A 89 17.643 -11.438 8.369 1.00 0.00 N flip ATOM 0 H GLN A 89 14.321 -10.952 10.661 1.00 0.00 H new ATOM 0 HA GLN A 89 15.977 -9.481 9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.353 -10.835 8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.276 -10.030 7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.324 -12.250 9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.843 -12.451 7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.532 -11.800 9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.565 -11.159 8.035 1.00 0.00 H new ATOM 1335 N LEU A 90 13.007 -8.035 9.118 1.00 0.00 N ATOM 1336 CA LEU A 90 12.326 -6.766 8.924 1.00 0.00 C ATOM 1337 C LEU A 90 13.034 -5.682 9.741 1.00 0.00 C ATOM 1338 O LEU A 90 13.280 -4.584 9.242 1.00 0.00 O ATOM 1339 CB LEU A 90 10.836 -6.902 9.244 1.00 0.00 C ATOM 1340 CG LEU A 90 9.943 -7.369 8.092 1.00 0.00 C ATOM 1341 CD1 LEU A 90 10.325 -8.779 7.638 1.00 0.00 C ATOM 1342 CD2 LEU A 90 8.464 -7.269 8.470 1.00 0.00 C ATOM 0 H LEU A 90 12.394 -8.818 9.344 1.00 0.00 H new ATOM 0 HA LEU A 90 12.377 -6.463 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.725 -7.603 10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.470 -5.936 9.593 1.00 0.00 H new ATOM 0 HG LEU A 90 10.104 -6.704 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.675 -9.086 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.361 -8.784 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.211 -9.473 8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.851 -7.607 7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.268 -7.895 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.218 -6.234 8.705 1.00 0.00 H new ATOM 1354 N VAL A 91 13.341 -6.028 10.982 1.00 0.00 N ATOM 1355 CA VAL A 91 14.015 -5.099 11.872 1.00 0.00 C ATOM 1356 C VAL A 91 15.342 -4.668 11.244 1.00 0.00 C ATOM 1357 O VAL A 91 15.899 -3.633 11.609 1.00 0.00 O ATOM 1358 CB VAL A 91 14.187 -5.730 13.256 1.00 0.00 C ATOM 1359 CG1 VAL A 91 15.609 -5.522 13.781 1.00 0.00 C ATOM 1360 CG2 VAL A 91 13.152 -5.181 14.241 1.00 0.00 C ATOM 0 H VAL A 91 13.135 -6.939 11.392 1.00 0.00 H new ATOM 0 HA VAL A 91 13.414 -4.201 12.011 1.00 0.00 H new ATOM 0 HB VAL A 91 14.020 -6.803 13.158 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.704 -5.980 14.766 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.321 -5.983 13.096 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.817 -4.455 13.856 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.296 -5.645 15.217 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.273 -4.102 14.332 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.149 -5.405 13.877 1.00 0.00 H new ATOM 1370 N ASP A 92 15.810 -5.483 10.311 1.00 0.00 N ATOM 1371 CA ASP A 92 17.062 -5.200 9.629 1.00 0.00 C ATOM 1372 C ASP A 92 16.870 -4.000 8.700 1.00 0.00 C ATOM 1373 O ASP A 92 17.400 -2.919 8.958 1.00 0.00 O ATOM 1374 CB ASP A 92 17.506 -6.390 8.776 1.00 0.00 C ATOM 1375 CG ASP A 92 18.987 -6.393 8.391 1.00 0.00 C ATOM 1376 OD1 ASP A 92 19.754 -5.691 9.083 1.00 0.00 O ATOM 1377 OD2 ASP A 92 19.317 -7.095 7.411 1.00 0.00 O ATOM 0 H ASP A 92 15.345 -6.340 10.011 1.00 0.00 H new ATOM 0 HA ASP A 92 17.820 -4.996 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.285 -7.309 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 92 16.909 -6.407 7.864 1.00 0.00 H new ATOM 1382 N ILE A 93 16.109 -4.227 7.639 1.00 0.00 N ATOM 1383 CA ILE A 93 15.841 -3.178 6.670 1.00 0.00 C ATOM 1384 C ILE A 93 15.052 -2.054 7.348 1.00 0.00 C ATOM 1385 O ILE A 93 15.379 -0.880 7.190 1.00 0.00 O ATOM 1386 CB ILE A 93 15.150 -3.753 5.433 1.00 0.00 C ATOM 1387 CG1 ILE A 93 13.630 -3.756 5.604 1.00 0.00 C ATOM 1388 CG2 ILE A 93 15.692 -5.145 5.101 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.178 -4.933 6.471 1.00 0.00 C ATOM 0 H ILE A 93 15.669 -5.123 7.429 1.00 0.00 H new ATOM 0 HA ILE A 93 16.774 -2.744 6.311 1.00 0.00 H new ATOM 0 HB ILE A 93 15.376 -3.107 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.310 -2.819 6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.151 -3.814 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.184 -5.532 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 93 16.763 -5.082 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.516 -5.814 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.093 -4.912 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.478 -5.869 5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.640 -4.858 7.455 1.00 0.00 H new ATOM 1401 N ILE A 94 14.030 -2.456 8.088 1.00 0.00 N ATOM 1402 CA ILE A 94 13.193 -1.499 8.790 1.00 0.00 C ATOM 1403 C ILE A 94 14.074 -0.590 9.650 1.00 0.00 C ATOM 1404 O ILE A 94 13.705 0.548 9.937 1.00 0.00 O ATOM 1405 CB ILE A 94 12.099 -2.221 9.581 1.00 0.00 C ATOM 1406 CG1 ILE A 94 11.214 -3.057 8.655 1.00 0.00 C ATOM 1407 CG2 ILE A 94 11.284 -1.233 10.416 1.00 0.00 C ATOM 1408 CD1 ILE A 94 9.798 -2.480 8.582 1.00 0.00 C ATOM 0 H ILE A 94 13.762 -3.432 8.217 1.00 0.00 H new ATOM 0 HA ILE A 94 12.671 -0.858 8.079 1.00 0.00 H new ATOM 0 HB ILE A 94 12.578 -2.910 10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.651 -3.086 7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.174 -4.085 9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.514 -1.772 10.968 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.942 -0.720 11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.814 -0.501 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.189 -3.093 7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 94 9.355 -2.475 9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.840 -1.460 8.199 1.00 0.00 H new ATOM 1420 N HIS A 95 15.223 -1.126 10.035 1.00 0.00 N ATOM 1421 CA HIS A 95 16.159 -0.378 10.856 1.00 0.00 C ATOM 1422 C HIS A 95 16.898 0.645 9.989 1.00 0.00 C ATOM 1423 O HIS A 95 17.269 1.715 10.467 1.00 0.00 O ATOM 1424 CB HIS A 95 17.108 -1.323 11.597 1.00 0.00 C ATOM 1425 CG HIS A 95 16.686 -1.632 13.013 1.00 0.00 C ATOM 1426 ND1 HIS A 95 17.586 -1.735 14.058 1.00 0.00 N ATOM 1427 CD2 HIS A 95 15.450 -1.858 13.545 1.00 0.00 C ATOM 1428 CE1 HIS A 95 16.912 -2.012 15.164 1.00 0.00 C ATOM 1429 NE2 HIS A 95 15.588 -2.089 14.845 1.00 0.00 N ATOM 0 H HIS A 95 15.527 -2.069 9.793 1.00 0.00 H new ATOM 0 HA HIS A 95 15.616 0.173 11.624 1.00 0.00 H new ATOM 0 HB2 HIS A 95 17.183 -2.257 11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.104 -0.881 11.614 1.00 0.00 H new ATOM 0 HD2 HIS A 95 14.517 -1.850 13.001 1.00 0.00 H new ATOM 0 HE1 HIS A 95 17.337 -2.152 16.147 1.00 0.00 H new ATOM 0 HE2 HIS A 95 14.830 -2.291 15.497 1.00 0.00 H new ATOM 1438 N GLY A 96 17.088 0.277 8.731 1.00 0.00 N ATOM 1439 CA GLY A 96 17.775 1.149 7.792 1.00 0.00 C ATOM 1440 C GLY A 96 16.786 2.071 7.075 1.00 0.00 C ATOM 1441 O GLY A 96 17.160 3.144 6.607 1.00 0.00 O ATOM 0 H GLY A 96 16.779 -0.613 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.517 1.747 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.314 0.548 7.060 1.00 0.00 H new ATOM 1445 N CYS A 97 15.544 1.617 7.011 1.00 0.00 N ATOM 1446 CA CYS A 97 14.499 2.387 6.358 1.00 0.00 C ATOM 1447 C CYS A 97 13.856 3.306 7.400 1.00 0.00 C ATOM 1448 O CYS A 97 13.952 4.527 7.298 1.00 0.00 O ATOM 1449 CB CYS A 97 13.466 1.480 5.683 1.00 0.00 C ATOM 1450 SG CYS A 97 13.941 0.883 4.020 1.00 0.00 S ATOM 0 H CYS A 97 15.237 0.726 7.400 1.00 0.00 H new ATOM 0 HA CYS A 97 14.933 2.991 5.561 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.285 0.618 6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.524 2.022 5.604 1.00 0.00 H new ATOM 1455 N GLU A 98 13.218 2.681 8.379 1.00 0.00 N ATOM 1456 CA GLU A 98 12.560 3.428 9.438 1.00 0.00 C ATOM 1457 C GLU A 98 13.475 4.544 9.947 1.00 0.00 C ATOM 1458 O GLU A 98 12.999 5.604 10.352 1.00 0.00 O ATOM 1459 CB GLU A 98 12.140 2.501 10.581 1.00 0.00 C ATOM 1460 CG GLU A 98 11.040 3.143 11.430 1.00 0.00 C ATOM 1461 CD GLU A 98 11.622 3.763 12.703 1.00 0.00 C ATOM 1462 OE1 GLU A 98 12.403 4.727 12.559 1.00 0.00 O ATOM 1463 OE2 GLU A 98 11.273 3.256 13.791 1.00 0.00 O ATOM 0 H GLU A 98 13.143 1.667 8.461 1.00 0.00 H new ATOM 0 HA GLU A 98 11.657 3.882 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.785 1.554 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.003 2.275 11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.528 3.910 10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.295 2.393 11.694 1.00 0.00 H new ATOM 1470 N LYS A 99 14.770 4.269 9.909 1.00 0.00 N ATOM 1471 CA LYS A 99 15.754 5.236 10.360 1.00 0.00 C ATOM 1472 C LYS A 99 15.904 6.335 9.307 1.00 0.00 C ATOM 1473 O LYS A 99 16.191 7.484 9.639 1.00 0.00 O ATOM 1474 CB LYS A 99 17.070 4.538 10.712 1.00 0.00 C ATOM 1475 CG LYS A 99 17.849 4.169 9.450 1.00 0.00 C ATOM 1476 CD LYS A 99 19.334 3.967 9.760 1.00 0.00 C ATOM 1477 CE LYS A 99 19.521 2.998 10.931 1.00 0.00 C ATOM 1478 NZ LYS A 99 20.843 3.200 11.563 1.00 0.00 N ATOM 0 H LYS A 99 15.161 3.389 9.572 1.00 0.00 H new ATOM 0 HA LYS A 99 15.420 5.718 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.676 5.192 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.865 3.639 11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.437 3.257 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.733 4.956 8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.844 3.580 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.793 4.926 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.732 3.151 11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.433 1.970 10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.954 2.535 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.592 3.031 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.913 4.175 11.917 1.00 0.00 H new ATOM 1492 N SER A 100 15.703 5.944 8.057 1.00 0.00 N ATOM 1493 CA SER A 100 15.812 6.881 6.953 1.00 0.00 C ATOM 1494 C SER A 100 14.435 7.453 6.614 1.00 0.00 C ATOM 1495 O SER A 100 14.318 8.350 5.781 1.00 0.00 O ATOM 1496 CB SER A 100 16.426 6.213 5.720 1.00 0.00 C ATOM 1497 OG SER A 100 17.608 6.877 5.286 1.00 0.00 O ATOM 0 H SER A 100 15.465 4.990 7.785 1.00 0.00 H new ATOM 0 HA SER A 100 16.471 7.693 7.259 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.658 5.173 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.696 6.206 4.910 1.00 0.00 H new ATOM 0 HG SER A 100 17.970 6.419 4.499 1.00 0.00 H new ATOM 1503 N ALA A 101 13.424 6.910 7.278 1.00 0.00 N ATOM 1504 CA ALA A 101 12.058 7.355 7.057 1.00 0.00 C ATOM 1505 C ALA A 101 11.529 8.013 8.332 1.00 0.00 C ATOM 1506 O ALA A 101 10.863 7.366 9.139 1.00 0.00 O ATOM 1507 CB ALA A 101 11.200 6.168 6.613 1.00 0.00 C ATOM 0 H ALA A 101 13.524 6.166 7.969 1.00 0.00 H new ATOM 0 HA ALA A 101 12.020 8.100 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.176 6.501 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.601 5.755 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.211 5.401 7.388 1.00 0.00 H new ATOM 1513 N PRO A 102 11.854 9.326 8.479 1.00 0.00 N ATOM 1514 CA PRO A 102 11.418 10.079 9.643 1.00 0.00 C ATOM 1515 C PRO A 102 9.931 10.422 9.549 1.00 0.00 C ATOM 1516 O PRO A 102 9.285 10.132 8.542 1.00 0.00 O ATOM 1517 CB PRO A 102 12.311 11.309 9.672 1.00 0.00 C ATOM 1518 CG PRO A 102 12.895 11.434 8.274 1.00 0.00 C ATOM 1519 CD PRO A 102 12.641 10.124 7.545 1.00 0.00 C ATOM 0 HA PRO A 102 11.512 9.513 10.570 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.741 12.199 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.100 11.201 10.416 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.433 12.264 7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.964 11.642 8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.101 10.288 6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.576 9.626 7.289 1.00 0.00 H new ATOM 1527 N PRO A 103 9.417 11.052 10.638 1.00 0.00 N ATOM 1528 CA PRO A 103 8.016 11.438 10.688 1.00 0.00 C ATOM 1529 C PRO A 103 7.754 12.666 9.813 1.00 0.00 C ATOM 1530 O PRO A 103 7.119 13.622 10.253 1.00 0.00 O ATOM 1531 CB PRO A 103 7.729 11.686 12.160 1.00 0.00 C ATOM 1532 CG PRO A 103 9.083 11.882 12.822 1.00 0.00 C ATOM 1533 CD PRO A 103 10.150 11.412 11.849 1.00 0.00 C ATOM 0 HA PRO A 103 7.353 10.669 10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.099 12.565 12.292 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.197 10.843 12.601 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.235 12.931 13.077 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.139 11.316 13.752 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.879 12.198 11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.700 10.559 12.247 1.00 0.00 H new ATOM 1541 N ASN A 104 8.258 12.599 8.590 1.00 0.00 N ATOM 1542 CA ASN A 104 8.088 13.692 7.649 1.00 0.00 C ATOM 1543 C ASN A 104 6.597 13.881 7.358 1.00 0.00 C ATOM 1544 O ASN A 104 5.822 12.928 7.421 1.00 0.00 O ATOM 1545 CB ASN A 104 8.792 13.395 6.324 1.00 0.00 C ATOM 1546 CG ASN A 104 10.305 13.585 6.453 1.00 0.00 C ATOM 1547 OD1 ASN A 104 10.789 14.472 7.137 1.00 0.00 O ATOM 1548 ND2 ASN A 104 11.022 12.704 5.761 1.00 0.00 N ATOM 0 H ASN A 104 8.785 11.804 8.229 1.00 0.00 H new ATOM 0 HA ASN A 104 8.520 14.589 8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 104 8.575 12.373 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.404 14.053 5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.041 12.746 5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.553 11.986 5.208 1.00 0.00 H new ATOM 1555 N ASP A 105 6.240 15.119 7.047 1.00 0.00 N ATOM 1556 CA ASP A 105 4.857 15.445 6.747 1.00 0.00 C ATOM 1557 C ASP A 105 4.369 14.572 5.588 1.00 0.00 C ATOM 1558 O ASP A 105 3.182 14.266 5.493 1.00 0.00 O ATOM 1559 CB ASP A 105 4.714 16.910 6.328 1.00 0.00 C ATOM 1560 CG ASP A 105 4.902 17.927 7.456 1.00 0.00 C ATOM 1561 OD1 ASP A 105 4.514 17.589 8.595 1.00 0.00 O ATOM 1562 OD2 ASP A 105 5.432 19.018 7.153 1.00 0.00 O ATOM 0 H ASP A 105 6.885 15.908 6.996 1.00 0.00 H new ATOM 0 HA ASP A 105 4.268 15.268 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.442 17.121 5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.725 17.053 5.892 1.00 0.00 H new ATOM 1567 N ASP A 106 5.313 14.197 4.736 1.00 0.00 N ATOM 1568 CA ASP A 106 4.996 13.366 3.588 1.00 0.00 C ATOM 1569 C ASP A 106 4.924 11.902 4.028 1.00 0.00 C ATOM 1570 O ASP A 106 5.254 11.001 3.257 1.00 0.00 O ATOM 1571 CB ASP A 106 6.074 13.483 2.509 1.00 0.00 C ATOM 1572 CG ASP A 106 7.428 12.872 2.879 1.00 0.00 C ATOM 1573 OD1 ASP A 106 7.634 12.644 4.091 1.00 0.00 O ATOM 1574 OD2 ASP A 106 8.224 12.650 1.942 1.00 0.00 O ATOM 0 H ASP A 106 6.297 14.454 4.818 1.00 0.00 H new ATOM 0 HA ASP A 106 4.042 13.701 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 106 5.711 13.002 1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.220 14.538 2.275 1.00 0.00 H new ATOM 1579 N LYS A 107 4.490 11.710 5.265 1.00 0.00 N ATOM 1580 CA LYS A 107 4.370 10.371 5.816 1.00 0.00 C ATOM 1581 C LYS A 107 3.789 9.436 4.754 1.00 0.00 C ATOM 1582 O LYS A 107 4.034 8.232 4.781 1.00 0.00 O ATOM 1583 CB LYS A 107 3.567 10.397 7.118 1.00 0.00 C ATOM 1584 CG LYS A 107 2.150 10.921 6.878 1.00 0.00 C ATOM 1585 CD LYS A 107 1.203 10.477 7.995 1.00 0.00 C ATOM 1586 CE LYS A 107 -0.258 10.667 7.584 1.00 0.00 C ATOM 1587 NZ LYS A 107 -1.079 9.526 8.044 1.00 0.00 N ATOM 0 H LYS A 107 4.217 12.459 5.901 1.00 0.00 H new ATOM 0 HA LYS A 107 5.352 9.980 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.521 9.393 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.073 11.028 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.166 12.009 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.782 10.557 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.384 9.429 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.408 11.050 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.643 11.594 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.328 10.759 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.068 9.672 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.721 8.647 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.027 9.456 9.080 1.00 0.00 H new ATOM 1601 N CYS A 108 3.030 10.028 3.843 1.00 0.00 N ATOM 1602 CA CYS A 108 2.412 9.264 2.773 1.00 0.00 C ATOM 1603 C CYS A 108 3.521 8.659 1.912 1.00 0.00 C ATOM 1604 O CYS A 108 3.533 7.455 1.661 1.00 0.00 O ATOM 1605 CB CYS A 108 1.450 10.120 1.948 1.00 0.00 C ATOM 1606 SG CYS A 108 0.667 9.254 0.539 1.00 0.00 S ATOM 0 H CYS A 108 2.829 11.028 3.824 1.00 0.00 H new ATOM 0 HA CYS A 108 1.807 8.463 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 108 0.666 10.497 2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 108 1.991 10.986 1.568 1.00 0.00 H new ATOM 1611 N MET A 109 4.429 9.523 1.481 1.00 0.00 N ATOM 1612 CA MET A 109 5.542 9.089 0.652 1.00 0.00 C ATOM 1613 C MET A 109 6.748 8.701 1.511 1.00 0.00 C ATOM 1614 O MET A 109 7.718 8.139 1.006 1.00 0.00 O ATOM 1615 CB MET A 109 5.936 10.216 -0.304 1.00 0.00 C ATOM 1616 CG MET A 109 6.905 9.713 -1.376 1.00 0.00 C ATOM 1617 SD MET A 109 8.466 10.570 -1.239 1.00 0.00 S ATOM 1618 CE MET A 109 9.568 9.178 -1.053 1.00 0.00 C ATOM 0 H MET A 109 4.417 10.521 1.690 1.00 0.00 H new ATOM 0 HA MET A 109 5.228 8.213 0.085 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.043 10.624 -0.778 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.398 11.028 0.257 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.059 8.640 -1.264 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.479 9.872 -2.367 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.805 9.040 0.002 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.087 8.279 -1.438 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.487 9.364 -1.609 1.00 0.00 H new ATOM 1628 N LYS A 110 6.646 9.019 2.794 1.00 0.00 N ATOM 1629 CA LYS A 110 7.717 8.712 3.726 1.00 0.00 C ATOM 1630 C LYS A 110 7.498 7.310 4.302 1.00 0.00 C ATOM 1631 O LYS A 110 8.281 6.398 4.038 1.00 0.00 O ATOM 1632 CB LYS A 110 7.830 9.804 4.792 1.00 0.00 C ATOM 1633 CG LYS A 110 8.502 9.269 6.057 1.00 0.00 C ATOM 1634 CD LYS A 110 7.476 9.037 7.169 1.00 0.00 C ATOM 1635 CE LYS A 110 7.963 7.971 8.151 1.00 0.00 C ATOM 1636 NZ LYS A 110 7.598 8.338 9.538 1.00 0.00 N ATOM 0 H LYS A 110 5.839 9.485 3.209 1.00 0.00 H new ATOM 0 HA LYS A 110 8.678 8.701 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.404 10.643 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.838 10.183 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.017 8.335 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.259 9.976 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.294 9.971 7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.526 8.728 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.524 7.006 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.044 7.861 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.372 7.478 10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.396 8.829 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.769 8.966 9.524 1.00 0.00 H new ATOM 1650 N THR A 111 6.432 7.184 5.077 1.00 0.00 N ATOM 1651 CA THR A 111 6.100 5.910 5.693 1.00 0.00 C ATOM 1652 C THR A 111 6.276 4.771 4.687 1.00 0.00 C ATOM 1653 O THR A 111 6.870 3.743 5.006 1.00 0.00 O ATOM 1654 CB THR A 111 4.681 6.011 6.256 1.00 0.00 C ATOM 1655 OG1 THR A 111 4.671 7.257 6.948 1.00 0.00 O ATOM 1656 CG2 THR A 111 4.410 4.976 7.348 1.00 0.00 C ATOM 0 H THR A 111 5.786 7.943 5.293 1.00 0.00 H new ATOM 0 HA THR A 111 6.775 5.681 6.518 1.00 0.00 H new ATOM 0 HB THR A 111 3.960 5.884 5.449 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.027 7.862 6.523 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.389 5.091 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.538 3.974 6.939 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.109 5.124 8.171 1.00 0.00 H new ATOM 1664 N ILE A 112 5.746 4.993 3.492 1.00 0.00 N ATOM 1665 CA ILE A 112 5.836 3.997 2.439 1.00 0.00 C ATOM 1666 C ILE A 112 7.275 3.489 2.343 1.00 0.00 C ATOM 1667 O ILE A 112 7.510 2.283 2.276 1.00 0.00 O ATOM 1668 CB ILE A 112 5.294 4.560 1.122 1.00 0.00 C ATOM 1669 CG1 ILE A 112 5.105 3.448 0.088 1.00 0.00 C ATOM 1670 CG2 ILE A 112 6.189 5.684 0.599 1.00 0.00 C ATOM 1671 CD1 ILE A 112 6.445 3.024 -0.515 1.00 0.00 C ATOM 0 H ILE A 112 5.254 5.847 3.231 1.00 0.00 H new ATOM 0 HA ILE A 112 5.210 3.137 2.675 1.00 0.00 H new ATOM 0 HB ILE A 112 4.312 4.993 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.625 2.589 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.439 3.792 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.783 6.067 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.229 6.489 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.194 5.299 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.281 2.233 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.911 3.879 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.100 2.657 0.275 1.00 0.00 H new ATOM 1683 N ASP A 113 8.203 4.435 2.340 1.00 0.00 N ATOM 1684 CA ASP A 113 9.615 4.099 2.256 1.00 0.00 C ATOM 1685 C ASP A 113 9.904 2.897 3.158 1.00 0.00 C ATOM 1686 O ASP A 113 10.380 1.864 2.688 1.00 0.00 O ATOM 1687 CB ASP A 113 10.488 5.264 2.726 1.00 0.00 C ATOM 1688 CG ASP A 113 11.788 5.455 1.943 1.00 0.00 C ATOM 1689 OD1 ASP A 113 12.653 4.559 2.050 1.00 0.00 O ATOM 1690 OD2 ASP A 113 11.888 6.493 1.253 1.00 0.00 O ATOM 0 H ASP A 113 8.005 5.434 2.394 1.00 0.00 H new ATOM 0 HA ASP A 113 9.846 3.873 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.905 6.183 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.734 5.113 3.777 1.00 0.00 H new ATOM 1695 N VAL A 114 9.604 3.071 4.436 1.00 0.00 N ATOM 1696 CA VAL A 114 9.825 2.013 5.407 1.00 0.00 C ATOM 1697 C VAL A 114 8.627 1.062 5.401 1.00 0.00 C ATOM 1698 O VAL A 114 8.795 -0.153 5.310 1.00 0.00 O ATOM 1699 CB VAL A 114 10.101 2.618 6.785 1.00 0.00 C ATOM 1700 CG1 VAL A 114 9.205 3.832 7.040 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.932 1.571 7.887 1.00 0.00 C ATOM 0 H VAL A 114 9.210 3.929 4.822 1.00 0.00 H new ATOM 0 HA VAL A 114 10.705 1.428 5.141 1.00 0.00 H new ATOM 0 HB VAL A 114 11.137 2.957 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 114 9.421 4.243 8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.395 4.591 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.159 3.528 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.134 2.027 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 114 8.912 1.188 7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.630 0.751 7.720 1.00 0.00 H new ATOM 1711 N ALA A 115 7.445 1.650 5.499 1.00 0.00 N ATOM 1712 CA ALA A 115 6.218 0.870 5.505 1.00 0.00 C ATOM 1713 C ALA A 115 6.256 -0.142 4.359 1.00 0.00 C ATOM 1714 O ALA A 115 5.591 -1.174 4.414 1.00 0.00 O ATOM 1715 CB ALA A 115 5.015 1.810 5.415 1.00 0.00 C ATOM 0 H ALA A 115 7.310 2.658 5.575 1.00 0.00 H new ATOM 0 HA ALA A 115 6.124 0.310 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.095 1.225 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.018 2.488 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.073 2.388 4.493 1.00 0.00 H new ATOM 1721 N MET A 116 7.044 0.189 3.347 1.00 0.00 N ATOM 1722 CA MET A 116 7.179 -0.677 2.187 1.00 0.00 C ATOM 1723 C MET A 116 8.499 -1.448 2.231 1.00 0.00 C ATOM 1724 O MET A 116 8.600 -2.544 1.680 1.00 0.00 O ATOM 1725 CB MET A 116 7.119 0.163 0.911 1.00 0.00 C ATOM 1726 CG MET A 116 7.007 -0.728 -0.327 1.00 0.00 C ATOM 1727 SD MET A 116 5.583 -0.254 -1.293 1.00 0.00 S ATOM 1728 CE MET A 116 4.275 -0.831 -0.223 1.00 0.00 C ATOM 0 H MET A 116 7.596 1.046 3.306 1.00 0.00 H new ATOM 0 HA MET A 116 6.359 -1.396 2.196 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.265 0.838 0.956 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.012 0.783 0.837 1.00 0.00 H new ATOM 0 HG2 MET A 116 7.911 -0.642 -0.930 1.00 0.00 H new ATOM 0 HG3 MET A 116 6.922 -1.772 -0.027 1.00 0.00 H new ATOM 0 HE1 MET A 116 3.591 -1.461 -0.792 1.00 0.00 H new ATOM 0 HE2 MET A 116 4.703 -1.408 0.597 1.00 0.00 H new ATOM 0 HE3 MET A 116 3.731 0.023 0.180 1.00 0.00 H new ATOM 1738 N CYS A 117 9.479 -0.847 2.889 1.00 0.00 N ATOM 1739 CA CYS A 117 10.788 -1.464 3.010 1.00 0.00 C ATOM 1740 C CYS A 117 10.594 -2.962 3.254 1.00 0.00 C ATOM 1741 O CYS A 117 11.149 -3.789 2.532 1.00 0.00 O ATOM 1742 CB CYS A 117 11.622 -0.809 4.114 1.00 0.00 C ATOM 1743 SG CYS A 117 13.409 -1.198 4.059 1.00 0.00 S ATOM 0 H CYS A 117 9.392 0.062 3.344 1.00 0.00 H new ATOM 0 HA CYS A 117 11.348 -1.318 2.086 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.498 0.272 4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.227 -1.119 5.081 1.00 0.00 H new ATOM 1748 N PHE A 118 9.802 -3.265 4.273 1.00 0.00 N ATOM 1749 CA PHE A 118 9.529 -4.648 4.620 1.00 0.00 C ATOM 1750 C PHE A 118 8.710 -5.337 3.525 1.00 0.00 C ATOM 1751 O PHE A 118 9.003 -6.470 3.147 1.00 0.00 O ATOM 1752 CB PHE A 118 8.713 -4.631 5.914 1.00 0.00 C ATOM 1753 CG PHE A 118 7.682 -5.758 6.016 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.001 -7.011 5.597 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.446 -5.505 6.525 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.044 -8.056 5.691 1.00 0.00 C ATOM 1757 CE2 PHE A 118 5.489 -6.549 6.619 1.00 0.00 C ATOM 1758 CZ PHE A 118 5.808 -7.804 6.200 1.00 0.00 C ATOM 0 H PHE A 118 9.342 -2.576 4.868 1.00 0.00 H new ATOM 0 HA PHE A 118 10.465 -5.194 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 118 9.395 -4.698 6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 118 8.198 -3.674 5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.982 -7.212 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 118 6.193 -4.509 6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.298 -9.052 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.508 -6.348 7.023 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.081 -8.599 6.272 1.00 0.00 H new ATOM 1768 N LYS A 119 7.702 -4.623 3.048 1.00 0.00 N ATOM 1769 CA LYS A 119 6.841 -5.151 2.003 1.00 0.00 C ATOM 1770 C LYS A 119 7.687 -5.503 0.779 1.00 0.00 C ATOM 1771 O LYS A 119 7.344 -6.412 0.024 1.00 0.00 O ATOM 1772 CB LYS A 119 5.702 -4.174 1.703 1.00 0.00 C ATOM 1773 CG LYS A 119 4.809 -3.977 2.930 1.00 0.00 C ATOM 1774 CD LYS A 119 3.590 -3.118 2.590 1.00 0.00 C ATOM 1775 CE LYS A 119 2.333 -3.652 3.278 1.00 0.00 C ATOM 1776 NZ LYS A 119 1.479 -4.373 2.308 1.00 0.00 N ATOM 0 H LYS A 119 7.462 -3.684 3.365 1.00 0.00 H new ATOM 0 HA LYS A 119 6.362 -6.072 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.114 -3.214 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.106 -4.550 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.482 -4.947 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.381 -3.503 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.769 -2.088 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.440 -3.105 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.613 -4.320 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.775 -2.827 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.630 -4.729 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.197 -3.725 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.009 -5.172 1.906 1.00 0.00 H new ATOM 1790 N LYS A 120 8.777 -4.768 0.621 1.00 0.00 N ATOM 1791 CA LYS A 120 9.675 -4.991 -0.500 1.00 0.00 C ATOM 1792 C LYS A 120 10.317 -6.373 -0.365 1.00 0.00 C ATOM 1793 O LYS A 120 10.697 -6.985 -1.362 1.00 0.00 O ATOM 1794 CB LYS A 120 10.690 -3.852 -0.609 1.00 0.00 C ATOM 1795 CG LYS A 120 10.251 -2.825 -1.656 1.00 0.00 C ATOM 1796 CD LYS A 120 11.248 -2.765 -2.815 1.00 0.00 C ATOM 1797 CE LYS A 120 11.559 -1.316 -3.196 1.00 0.00 C ATOM 1798 NZ LYS A 120 12.822 -0.874 -2.563 1.00 0.00 N ATOM 0 H LYS A 120 9.059 -4.017 1.251 1.00 0.00 H new ATOM 0 HA LYS A 120 9.121 -4.985 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.801 -3.365 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.667 -4.255 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.263 -3.086 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.166 -1.842 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.169 -3.277 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.841 -3.292 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.638 -1.227 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 120 10.741 -0.667 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.019 0.111 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.734 -0.940 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.602 -1.482 -2.883 1.00 0.00 H new ATOM 1812 N GLU A 121 10.416 -6.827 0.877 1.00 0.00 N ATOM 1813 CA GLU A 121 11.004 -8.126 1.155 1.00 0.00 C ATOM 1814 C GLU A 121 10.314 -9.209 0.324 1.00 0.00 C ATOM 1815 O GLU A 121 10.952 -10.172 -0.100 1.00 0.00 O ATOM 1816 CB GLU A 121 10.934 -8.451 2.648 1.00 0.00 C ATOM 1817 CG GLU A 121 11.652 -7.384 3.476 1.00 0.00 C ATOM 1818 CD GLU A 121 13.165 -7.450 3.262 1.00 0.00 C ATOM 1819 OE1 GLU A 121 13.625 -6.835 2.276 1.00 0.00 O ATOM 1820 OE2 GLU A 121 13.827 -8.115 4.087 1.00 0.00 O ATOM 0 H GLU A 121 10.099 -6.318 1.702 1.00 0.00 H new ATOM 0 HA GLU A 121 12.056 -8.095 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.892 -8.519 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.386 -9.425 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.285 -6.396 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.424 -7.524 4.533 1.00 0.00 H new ATOM 1827 N ILE A 122 9.020 -9.017 0.116 1.00 0.00 N ATOM 1828 CA ILE A 122 8.236 -9.966 -0.656 1.00 0.00 C ATOM 1829 C ILE A 122 8.643 -9.876 -2.129 1.00 0.00 C ATOM 1830 O ILE A 122 8.693 -10.890 -2.824 1.00 0.00 O ATOM 1831 CB ILE A 122 6.740 -9.748 -0.415 1.00 0.00 C ATOM 1832 CG1 ILE A 122 6.479 -9.274 1.016 1.00 0.00 C ATOM 1833 CG2 ILE A 122 5.942 -11.008 -0.756 1.00 0.00 C ATOM 1834 CD1 ILE A 122 7.375 -10.015 2.011 1.00 0.00 C ATOM 0 H ILE A 122 8.494 -8.217 0.469 1.00 0.00 H new ATOM 0 HA ILE A 122 8.441 -10.986 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 122 6.397 -8.958 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.660 -8.202 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.432 -9.438 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.882 -10.827 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.094 -11.262 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.280 -11.834 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.169 -9.659 3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.174 -11.085 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.421 -9.829 1.767 1.00 0.00 H new ATOM 1846 N HIS A 123 8.918 -8.655 -2.559 1.00 0.00 N ATOM 1847 CA HIS A 123 9.317 -8.420 -3.936 1.00 0.00 C ATOM 1848 C HIS A 123 10.445 -9.382 -4.315 1.00 0.00 C ATOM 1849 O HIS A 123 10.743 -9.561 -5.496 1.00 0.00 O ATOM 1850 CB HIS A 123 9.694 -6.952 -4.150 1.00 0.00 C ATOM 1851 CG HIS A 123 11.147 -6.735 -4.500 1.00 0.00 C ATOM 1852 ND1 HIS A 123 11.695 -7.137 -5.706 1.00 0.00 N ATOM 1853 CD2 HIS A 123 12.157 -6.155 -3.792 1.00 0.00 C ATOM 1854 CE1 HIS A 123 12.979 -6.809 -5.712 1.00 0.00 C ATOM 1855 NE2 HIS A 123 13.263 -6.201 -4.524 1.00 0.00 N ATOM 0 H HIS A 123 8.873 -7.817 -1.979 1.00 0.00 H new ATOM 0 HA HIS A 123 8.476 -8.620 -4.601 1.00 0.00 H new ATOM 0 HB2 HIS A 123 9.074 -6.541 -4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.462 -6.392 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 123 12.072 -5.730 -2.803 1.00 0.00 H new ATOM 0 HE1 HIS A 123 13.677 -6.991 -6.515 1.00 0.00 H new ATOM 0 HE2 HIS A 123 14.175 -5.841 -4.244 1.00 0.00 H new ATOM 1864 N LYS A 124 11.041 -9.977 -3.293 1.00 0.00 N ATOM 1865 CA LYS A 124 12.129 -10.916 -3.505 1.00 0.00 C ATOM 1866 C LYS A 124 11.573 -12.342 -3.497 1.00 0.00 C ATOM 1867 O LYS A 124 12.296 -13.293 -3.199 1.00 0.00 O ATOM 1868 CB LYS A 124 13.243 -10.685 -2.481 1.00 0.00 C ATOM 1869 CG LYS A 124 13.346 -9.206 -2.108 1.00 0.00 C ATOM 1870 CD LYS A 124 14.421 -8.983 -1.043 1.00 0.00 C ATOM 1871 CE LYS A 124 14.970 -7.557 -1.108 1.00 0.00 C ATOM 1872 NZ LYS A 124 16.177 -7.425 -0.260 1.00 0.00 N ATOM 0 H LYS A 124 10.791 -9.827 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 124 12.587 -10.756 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 124 13.048 -11.277 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 124 14.194 -11.028 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.581 -8.619 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.384 -8.853 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.003 -9.171 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.233 -9.696 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.214 -7.302 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 124 14.207 -6.852 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 16.536 -6.451 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.934 -7.648 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.909 -8.084 -0.594 1.00 0.00 H new ATOM 1886 N LEU A 125 10.296 -12.448 -3.831 1.00 0.00 N ATOM 1887 CA LEU A 125 9.635 -13.741 -3.868 1.00 0.00 C ATOM 1888 C LEU A 125 10.559 -14.762 -4.535 1.00 0.00 C ATOM 1889 O LEU A 125 11.399 -15.371 -3.872 1.00 0.00 O ATOM 1890 CB LEU A 125 8.264 -13.625 -4.535 1.00 0.00 C ATOM 1891 CG LEU A 125 8.038 -12.376 -5.390 1.00 0.00 C ATOM 1892 CD1 LEU A 125 9.235 -12.114 -6.305 1.00 0.00 C ATOM 1893 CD2 LEU A 125 6.729 -12.477 -6.174 1.00 0.00 C ATOM 0 H LEU A 125 9.700 -11.658 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 125 9.441 -14.098 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.112 -14.503 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.500 -13.652 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 125 7.948 -11.518 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.048 -11.221 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.130 -11.966 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 125 9.381 -12.968 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.593 -11.576 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.764 -13.347 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.896 -12.580 -5.479 1.00 0.00 H new ATOM 1905 N ASN A 126 10.374 -14.918 -5.837 1.00 0.00 N ATOM 1906 CA ASN A 126 11.181 -15.854 -6.600 1.00 0.00 C ATOM 1907 C ASN A 126 12.134 -15.076 -7.510 1.00 0.00 C ATOM 1908 O ASN A 126 12.966 -15.668 -8.195 1.00 0.00 O ATOM 1909 CB ASN A 126 10.304 -16.743 -7.485 1.00 0.00 C ATOM 1910 CG ASN A 126 11.150 -17.498 -8.512 1.00 0.00 C ATOM 1911 OD1 ASN A 126 11.338 -16.835 -9.650 1.00 0.00 O flip ATOM 1912 ND2 ASN A 126 11.600 -18.610 -8.288 1.00 0.00 N flip ATOM 0 H ASN A 126 9.677 -14.412 -6.383 1.00 0.00 H new ATOM 0 HA ASN A 126 11.732 -16.477 -5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.758 -17.454 -6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.562 -16.132 -7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.418 -19.063 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.158 -19.086 -8.996 1.00 0.00 H new ATOM 1919 N TRP A 127 11.981 -13.760 -7.488 1.00 0.00 N ATOM 1920 CA TRP A 127 12.817 -12.894 -8.302 1.00 0.00 C ATOM 1921 C TRP A 127 14.043 -12.507 -7.473 1.00 0.00 C ATOM 1922 O TRP A 127 13.998 -12.526 -6.244 1.00 0.00 O ATOM 1923 CB TRP A 127 12.028 -11.683 -8.804 1.00 0.00 C ATOM 1924 CG TRP A 127 10.555 -11.977 -9.092 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.973 -13.167 -9.287 1.00 0.00 C ATOM 1926 CD2 TRP A 127 9.492 -11.006 -9.209 1.00 0.00 C ATOM 1927 NE1 TRP A 127 8.619 -13.038 -9.521 1.00 0.00 N ATOM 1928 CE2 TRP A 127 8.317 -11.681 -9.474 1.00 0.00 C ATOM 1929 CE3 TRP A 127 9.522 -9.605 -9.097 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 7.085 -11.038 -9.646 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 8.284 -8.978 -9.273 1.00 0.00 C ATOM 1932 CH2 TRP A 127 7.092 -9.643 -9.538 1.00 0.00 C ATOM 0 H TRP A 127 11.290 -13.272 -6.919 1.00 0.00 H new ATOM 0 HA TRP A 127 13.153 -13.414 -9.199 1.00 0.00 H new ATOM 0 HB2 TRP A 127 12.091 -10.888 -8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 127 12.498 -11.308 -9.713 1.00 0.00 H new ATOM 0 HD1 TRP A 127 10.498 -14.111 -9.264 1.00 0.00 H new ATOM 0 HE1 TRP A 127 7.961 -13.798 -9.696 1.00 0.00 H new ATOM 0 HE3 TRP A 127 10.429 -9.056 -8.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 6.179 -11.589 -9.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 8.252 -7.901 -9.198 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.175 -9.085 -9.660 1.00 0.00 H new ATOM 1943 N VAL A 128 15.112 -12.167 -8.181 1.00 0.00 N ATOM 1944 CA VAL A 128 16.348 -11.776 -7.525 1.00 0.00 C ATOM 1945 C VAL A 128 16.457 -10.249 -7.521 1.00 0.00 C ATOM 1946 O VAL A 128 16.523 -9.626 -8.579 1.00 0.00 O ATOM 1947 CB VAL A 128 17.537 -12.459 -8.203 1.00 0.00 C ATOM 1948 CG1 VAL A 128 17.303 -13.966 -8.333 1.00 0.00 C ATOM 1949 CG2 VAL A 128 17.828 -11.829 -9.567 1.00 0.00 C ATOM 0 H VAL A 128 15.147 -12.155 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 128 16.351 -12.104 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 128 18.413 -12.309 -7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 128 18.163 -14.427 -8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 128 17.169 -14.400 -7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 128 16.410 -14.145 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 128 18.678 -12.333 -10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.954 -11.932 -10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 128 18.060 -10.772 -9.437 1.00 0.00 H new ATOM 1959 N PRO A 129 16.474 -9.678 -6.288 1.00 0.00 N ATOM 1960 CA PRO A 129 16.575 -8.236 -6.132 1.00 0.00 C ATOM 1961 C PRO A 129 17.999 -7.753 -6.413 1.00 0.00 C ATOM 1962 O PRO A 129 18.584 -7.031 -5.607 1.00 0.00 O ATOM 1963 CB PRO A 129 16.125 -7.963 -4.705 1.00 0.00 C ATOM 1964 CG PRO A 129 16.235 -9.290 -3.972 1.00 0.00 C ATOM 1965 CD PRO A 129 16.398 -10.386 -5.012 1.00 0.00 C ATOM 0 HA PRO A 129 15.954 -7.691 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 129 16.752 -7.205 -4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 129 15.102 -7.588 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 129 17.086 -9.280 -3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 129 15.345 -9.467 -3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 129 17.298 -10.973 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 129 15.556 -11.078 -4.993 1.00 0.00 H new ATOM 1973 N ASN A 130 18.516 -8.170 -7.559 1.00 0.00 N ATOM 1974 CA ASN A 130 19.860 -7.788 -7.958 1.00 0.00 C ATOM 1975 C ASN A 130 20.106 -6.328 -7.572 1.00 0.00 C ATOM 1976 O ASN A 130 21.236 -5.944 -7.275 1.00 0.00 O ATOM 1977 CB ASN A 130 20.044 -7.915 -9.471 1.00 0.00 C ATOM 1978 CG ASN A 130 21.346 -8.643 -9.806 1.00 0.00 C ATOM 1979 OD1 ASN A 130 21.611 -9.741 -9.345 1.00 0.00 O ATOM 1980 ND2 ASN A 130 22.142 -7.972 -10.634 1.00 0.00 N ATOM 0 H ASN A 130 18.028 -8.769 -8.225 1.00 0.00 H new ATOM 0 HA ASN A 130 20.562 -8.452 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 130 19.200 -8.456 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 130 20.050 -6.924 -9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 130 23.035 -8.373 -10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 130 21.859 -7.056 -10.983 1.00 0.00 H new ATOM 1987 N MET A 131 19.030 -5.556 -7.589 1.00 0.00 N ATOM 1988 CA MET A 131 19.116 -4.147 -7.246 1.00 0.00 C ATOM 1989 C MET A 131 18.466 -3.874 -5.888 1.00 0.00 C ATOM 1990 O MET A 131 17.243 -3.788 -5.787 1.00 0.00 O ATOM 1991 CB MET A 131 18.417 -3.315 -8.322 1.00 0.00 C ATOM 1992 CG MET A 131 19.416 -2.414 -9.052 1.00 0.00 C ATOM 1993 SD MET A 131 19.335 -2.712 -10.811 1.00 0.00 S ATOM 1994 CE MET A 131 20.500 -4.058 -10.949 1.00 0.00 C ATOM 0 H MET A 131 18.094 -5.879 -7.835 1.00 0.00 H new ATOM 0 HA MET A 131 20.169 -3.870 -7.188 1.00 0.00 H new ATOM 0 HB2 MET A 131 17.927 -3.976 -9.037 1.00 0.00 H new ATOM 0 HB3 MET A 131 17.637 -2.705 -7.866 1.00 0.00 H new ATOM 0 HG2 MET A 131 19.196 -1.367 -8.842 1.00 0.00 H new ATOM 0 HG3 MET A 131 20.425 -2.607 -8.688 1.00 0.00 H new ATOM 0 HE1 MET A 131 20.214 -4.703 -11.780 1.00 0.00 H new ATOM 0 HE2 MET A 131 21.498 -3.658 -11.126 1.00 0.00 H new ATOM 0 HE3 MET A 131 20.499 -4.636 -10.025 1.00 0.00 H new ATOM 2004 N ASP A 132 19.312 -3.745 -4.876 1.00 0.00 N ATOM 2005 CA ASP A 132 18.835 -3.483 -3.529 1.00 0.00 C ATOM 2006 C ASP A 132 19.611 -2.304 -2.938 1.00 0.00 C ATOM 2007 O ASP A 132 20.840 -2.320 -2.903 1.00 0.00 O ATOM 2008 CB ASP A 132 19.054 -4.696 -2.623 1.00 0.00 C ATOM 2009 CG ASP A 132 18.716 -4.469 -1.147 1.00 0.00 C ATOM 2010 OD1 ASP A 132 17.673 -3.826 -0.897 1.00 0.00 O ATOM 2011 OD2 ASP A 132 19.505 -4.945 -0.305 1.00 0.00 O ATOM 0 H ASP A 132 20.326 -3.817 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 132 17.769 -3.262 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 132 18.450 -5.523 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 132 20.097 -5.004 -2.698 1.00 0.00 H new ATOM 2016 N LEU A 133 18.860 -1.309 -2.489 1.00 0.00 N ATOM 2017 CA LEU A 133 19.461 -0.124 -1.901 1.00 0.00 C ATOM 2018 C LEU A 133 20.384 -0.542 -0.754 1.00 0.00 C ATOM 2019 O LEU A 133 19.986 -1.311 0.120 1.00 0.00 O ATOM 2020 CB LEU A 133 18.380 0.876 -1.487 1.00 0.00 C ATOM 2021 CG LEU A 133 17.886 0.770 -0.042 1.00 0.00 C ATOM 2022 CD1 LEU A 133 17.431 -0.655 0.277 1.00 0.00 C ATOM 2023 CD2 LEU A 133 18.950 1.266 0.939 1.00 0.00 C ATOM 0 H LEU A 133 17.841 -1.299 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 133 20.078 0.395 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 133 18.765 1.883 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 133 17.525 0.753 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 133 17.017 1.419 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 133 17.085 -0.704 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 133 16.618 -0.936 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 133 18.266 -1.342 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 133 18.574 1.180 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 133 19.852 0.663 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 133 19.184 2.309 0.726 1.00 0.00 H new ATOM 2035 N VAL A 134 21.601 -0.018 -0.795 1.00 0.00 N ATOM 2036 CA VAL A 134 22.583 -0.326 0.229 1.00 0.00 C ATOM 2037 C VAL A 134 22.899 0.943 1.025 1.00 0.00 C ATOM 2038 O VAL A 134 22.730 0.974 2.243 1.00 0.00 O ATOM 2039 CB VAL A 134 23.823 -0.956 -0.408 1.00 0.00 C ATOM 2040 CG1 VAL A 134 24.976 -1.033 0.595 1.00 0.00 C ATOM 2041 CG2 VAL A 134 23.502 -2.339 -0.981 1.00 0.00 C ATOM 0 H VAL A 134 21.928 0.618 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 134 22.186 -1.060 0.931 1.00 0.00 H new ATOM 0 HB VAL A 134 24.138 -0.316 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 134 25.845 -1.485 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 134 25.230 -0.029 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 134 24.675 -1.640 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 134 24.400 -2.765 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 134 23.150 -2.991 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 134 22.727 -2.247 -1.742 1.00 0.00 H new ATOM 2051 N ILE A 135 23.355 1.956 0.304 1.00 0.00 N ATOM 2052 CA ILE A 135 23.697 3.224 0.927 1.00 0.00 C ATOM 2053 C ILE A 135 22.612 4.255 0.606 1.00 0.00 C ATOM 2054 O ILE A 135 22.587 5.337 1.189 1.00 0.00 O ATOM 2055 CB ILE A 135 25.104 3.661 0.514 1.00 0.00 C ATOM 2056 CG1 ILE A 135 25.348 3.392 -0.972 1.00 0.00 C ATOM 2057 CG2 ILE A 135 26.165 3.003 1.398 1.00 0.00 C ATOM 2058 CD1 ILE A 135 25.885 1.977 -1.191 1.00 0.00 C ATOM 0 H ILE A 135 23.496 1.925 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 135 23.726 3.120 2.012 1.00 0.00 H new ATOM 0 HB ILE A 135 25.184 4.738 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 135 24.419 3.522 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 135 26.058 4.119 -1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 135 27.156 3.331 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 135 26.002 3.289 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 135 26.095 1.919 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 135 26.050 1.811 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 135 26.827 1.858 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 135 25.162 1.252 -0.819 1.00 0.00 H new ATOM 2070 N GLY A 136 21.744 3.882 -0.323 1.00 0.00 N ATOM 2071 CA GLY A 136 20.661 4.761 -0.730 1.00 0.00 C ATOM 2072 C GLY A 136 21.130 5.755 -1.794 1.00 0.00 C ATOM 2073 O GLY A 136 20.585 6.851 -1.909 1.00 0.00 O ATOM 0 H GLY A 136 21.769 2.984 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 136 19.834 4.168 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 136 20.283 5.303 0.137 1.00 0.00 H new ATOM 2077 N GLU A 137 22.138 5.336 -2.546 1.00 0.00 N ATOM 2078 CA GLU A 137 22.688 6.175 -3.597 1.00 0.00 C ATOM 2079 C GLU A 137 22.315 5.619 -4.971 1.00 0.00 C ATOM 2080 O GLU A 137 21.709 4.551 -5.069 1.00 0.00 O ATOM 2081 CB GLU A 137 24.205 6.312 -3.453 1.00 0.00 C ATOM 2082 CG GLU A 137 24.574 7.608 -2.729 1.00 0.00 C ATOM 2083 CD GLU A 137 25.450 7.325 -1.508 1.00 0.00 C ATOM 2084 OE1 GLU A 137 26.683 7.251 -1.698 1.00 0.00 O ATOM 2085 OE2 GLU A 137 24.867 7.190 -0.411 1.00 0.00 O ATOM 0 H GLU A 137 22.588 4.426 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 137 22.256 7.171 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 137 24.600 5.459 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 137 24.670 6.297 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 137 25.102 8.273 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 137 23.667 8.126 -2.418 1.00 0.00 H new ATOM 2092 N VAL A 138 22.692 6.363 -5.999 1.00 0.00 N ATOM 2093 CA VAL A 138 22.405 5.957 -7.365 1.00 0.00 C ATOM 2094 C VAL A 138 23.150 4.657 -7.672 1.00 0.00 C ATOM 2095 O VAL A 138 24.346 4.676 -7.959 1.00 0.00 O ATOM 2096 CB VAL A 138 22.753 7.090 -8.332 1.00 0.00 C ATOM 2097 CG1 VAL A 138 24.078 7.752 -7.946 1.00 0.00 C ATOM 2098 CG2 VAL A 138 22.793 6.585 -9.776 1.00 0.00 C ATOM 0 H VAL A 138 23.195 7.246 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 138 21.340 5.759 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 138 21.969 7.844 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 138 24.302 8.554 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 138 24.000 8.163 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 138 24.877 7.011 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 138 23.043 7.410 -10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 138 23.547 5.804 -9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 138 21.818 6.181 -10.047 1.00 0.00 H new ATOM 2108 N LEU A 139 22.413 3.558 -7.602 1.00 0.00 N ATOM 2109 CA LEU A 139 22.989 2.252 -7.870 1.00 0.00 C ATOM 2110 C LEU A 139 21.880 1.197 -7.848 1.00 0.00 C ATOM 2111 O LEU A 139 21.609 0.557 -8.863 1.00 0.00 O ATOM 2112 CB LEU A 139 24.133 1.962 -6.897 1.00 0.00 C ATOM 2113 CG LEU A 139 24.986 0.731 -7.213 1.00 0.00 C ATOM 2114 CD1 LEU A 139 26.440 0.948 -6.785 1.00 0.00 C ATOM 2115 CD2 LEU A 139 24.386 -0.529 -6.586 1.00 0.00 C ATOM 0 H LEU A 139 21.421 3.546 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 139 23.434 2.228 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 139 24.786 2.834 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 139 23.713 1.842 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 139 24.986 0.583 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 139 27.025 0.059 -7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 139 26.852 1.805 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 139 26.479 1.135 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 139 25.012 -1.388 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 139 24.335 -0.408 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 139 23.383 -0.689 -6.981 1.00 0.00 H new ATOM 2127 N ALA A 140 21.271 1.048 -6.682 1.00 0.00 N ATOM 2128 CA ALA A 140 20.200 0.081 -6.515 1.00 0.00 C ATOM 2129 C ALA A 140 18.853 0.784 -6.699 1.00 0.00 C ATOM 2130 O ALA A 140 18.778 2.011 -6.662 1.00 0.00 O ATOM 2131 CB ALA A 140 20.324 -0.589 -5.145 1.00 0.00 C ATOM 0 H ALA A 140 21.499 1.581 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 140 20.270 -0.703 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 140 19.520 -1.314 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 140 21.286 -1.097 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 140 20.255 0.167 -4.363 1.00 0.00 H new ATOM 2137 N GLU A 141 17.822 -0.025 -6.895 1.00 0.00 N ATOM 2138 CA GLU A 141 16.481 0.502 -7.085 1.00 0.00 C ATOM 2139 C GLU A 141 15.956 1.100 -5.778 1.00 0.00 C ATOM 2140 O GLU A 141 15.291 0.416 -5.002 1.00 0.00 O ATOM 2141 CB GLU A 141 15.536 -0.578 -7.614 1.00 0.00 C ATOM 2142 CG GLU A 141 14.369 0.043 -8.381 1.00 0.00 C ATOM 2143 CD GLU A 141 14.207 -0.610 -9.755 1.00 0.00 C ATOM 2144 OE1 GLU A 141 15.147 -0.464 -10.568 1.00 0.00 O ATOM 2145 OE2 GLU A 141 13.148 -1.238 -9.965 1.00 0.00 O ATOM 0 H GLU A 141 17.888 -1.042 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 141 16.526 1.295 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 141 16.084 -1.258 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 141 15.155 -1.172 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 141 13.449 -0.074 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 141 14.536 1.113 -8.500 1.00 0.00 H new ATOM 2152 N VAL A 142 16.274 2.369 -5.574 1.00 0.00 N ATOM 2153 CA VAL A 142 15.841 3.067 -4.375 1.00 0.00 C ATOM 2154 C VAL A 142 14.986 4.270 -4.770 1.00 0.00 C ATOM 2155 O VAL A 142 14.647 4.439 -5.942 1.00 0.00 O ATOM 2156 CB VAL A 142 17.057 3.449 -3.526 1.00 0.00 C ATOM 2157 CG1 VAL A 142 18.165 4.048 -4.394 1.00 0.00 C ATOM 2158 CG2 VAL A 142 16.659 4.410 -2.403 1.00 0.00 C ATOM 0 H VAL A 142 16.827 2.933 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 142 15.220 2.418 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 142 17.446 2.540 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 142 19.017 4.311 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 142 18.476 3.318 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 142 17.793 4.943 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 142 17.540 4.666 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 142 16.234 5.317 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 142 15.919 3.932 -1.760 1.00 0.00 H new TER 2168 VAL A 142