USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 671 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 149 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 149 CACA :(metal ligand) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.15) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-4.2!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.449 K(o=-0.45,f=-1.4) USER MOD Single : A 63 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.408 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.528 F(o=-1.5,f=-0.53) USER MOD Single : A 74 SER OG : rot 85:sc= 0.157 USER MOD Single : A 76 MET CE :methyl 174:sc= 0 (180deg=-0.0564) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.629! USER MOD Single : A 107 HIS : no HE2:sc= 0.221 K(o=0.22,f=-3.3!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 67:sc= 0.396 USER MOD Single : A 111 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 103:sc= 0.0205 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 137 ASN :FLIP amide:sc=-0.00722 F(o=-2!,f=-0.0072) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -133:sc= -0.3 (180deg=-1.42!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 30.846 20.269 -7.928 1.00 0.00 N ATOM 2 CA GLY A 56 30.117 18.971 -7.853 1.00 0.00 C ATOM 3 C GLY A 56 30.535 18.224 -6.592 1.00 0.00 C ATOM 4 O GLY A 56 31.275 17.241 -6.657 1.00 0.00 O ATOM 0 HA2 GLY A 56 29.041 19.146 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 56 30.335 18.368 -8.735 1.00 0.00 H new ATOM 8 N SER A 57 30.055 18.692 -5.444 1.00 0.00 N ATOM 9 CA SER A 57 30.385 18.058 -4.174 1.00 0.00 C ATOM 10 C SER A 57 29.683 16.709 -4.054 1.00 0.00 C ATOM 11 O SER A 57 28.557 16.540 -4.522 1.00 0.00 O ATOM 12 CB SER A 57 29.963 18.961 -3.015 1.00 0.00 C ATOM 13 OG SER A 57 30.874 20.048 -2.910 1.00 0.00 O ATOM 0 H SER A 57 29.440 19.502 -5.368 1.00 0.00 H new ATOM 0 HA SER A 57 31.463 17.900 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.952 19.334 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.947 18.394 -2.084 1.00 0.00 H new ATOM 0 HG SER A 57 30.605 20.630 -2.169 1.00 0.00 H new ATOM 19 N HIS A 58 30.354 15.752 -3.422 1.00 0.00 N ATOM 20 CA HIS A 58 29.786 14.420 -3.244 1.00 0.00 C ATOM 21 C HIS A 58 28.699 14.438 -2.175 1.00 0.00 C ATOM 22 O HIS A 58 28.767 15.212 -1.220 1.00 0.00 O ATOM 23 CB HIS A 58 30.883 13.434 -2.845 1.00 0.00 C ATOM 24 CG HIS A 58 30.294 12.055 -2.719 1.00 0.00 C ATOM 25 ND1 HIS A 58 29.756 11.379 -3.803 1.00 0.00 N ATOM 26 CD2 HIS A 58 30.152 11.213 -1.644 1.00 0.00 C ATOM 27 CE1 HIS A 58 29.320 10.185 -3.360 1.00 0.00 C ATOM 28 NE2 HIS A 58 29.537 10.032 -2.051 1.00 0.00 N ATOM 0 H HIS A 58 31.286 15.872 -3.026 1.00 0.00 H new ATOM 0 HA HIS A 58 29.343 14.106 -4.189 1.00 0.00 H new ATOM 0 HB2 HIS A 58 31.677 13.435 -3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 58 31.333 13.737 -1.900 1.00 0.00 H new ATOM 0 HD2 HIS A 58 30.469 11.433 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 58 28.851 9.441 -3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 58 29.303 9.224 -1.474 1.00 0.00 H new ATOM 36 N HIS A 59 27.695 13.585 -2.344 1.00 0.00 N ATOM 37 CA HIS A 59 26.596 13.511 -1.388 1.00 0.00 C ATOM 38 C HIS A 59 27.030 12.760 -0.133 1.00 0.00 C ATOM 39 O HIS A 59 28.222 12.598 0.126 1.00 0.00 O ATOM 40 CB HIS A 59 25.399 12.802 -2.021 1.00 0.00 C ATOM 41 CG HIS A 59 24.948 13.567 -3.235 1.00 0.00 C ATOM 42 ND1 HIS A 59 24.199 14.730 -3.141 1.00 0.00 N ATOM 43 CD2 HIS A 59 25.134 13.349 -4.578 1.00 0.00 C ATOM 44 CE1 HIS A 59 23.963 15.162 -4.393 1.00 0.00 C ATOM 45 NE2 HIS A 59 24.511 14.357 -5.308 1.00 0.00 N ATOM 0 H HIS A 59 27.619 12.938 -3.129 1.00 0.00 H new ATOM 0 HA HIS A 59 26.310 14.526 -1.111 1.00 0.00 H new ATOM 0 HB2 HIS A 59 25.671 11.784 -2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 59 24.584 12.728 -1.301 1.00 0.00 H new ATOM 0 HD2 HIS A 59 25.681 12.521 -5.003 1.00 0.00 H new ATOM 0 HE1 HIS A 59 23.399 16.052 -4.630 1.00 0.00 H new ATOM 0 HE2 HIS A 59 24.480 14.459 -6.322 1.00 0.00 H new ATOM 53 N HIS A 60 26.052 12.302 0.644 1.00 0.00 N ATOM 54 CA HIS A 60 26.344 11.571 1.871 1.00 0.00 C ATOM 55 C HIS A 60 27.113 10.291 1.559 1.00 0.00 C ATOM 56 O HIS A 60 26.824 9.603 0.581 1.00 0.00 O ATOM 57 CB HIS A 60 25.042 11.220 2.593 1.00 0.00 C ATOM 58 CG HIS A 60 24.083 10.588 1.620 1.00 0.00 C ATOM 59 ND1 HIS A 60 24.326 9.353 1.041 1.00 0.00 N ATOM 60 CD2 HIS A 60 22.878 11.009 1.115 1.00 0.00 C ATOM 61 CE1 HIS A 60 23.289 9.074 0.229 1.00 0.00 C ATOM 62 NE2 HIS A 60 22.378 10.051 0.238 1.00 0.00 N ATOM 0 H HIS A 60 25.059 12.423 0.447 1.00 0.00 H new ATOM 0 HA HIS A 60 26.956 12.205 2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 60 25.244 10.536 3.417 1.00 0.00 H new ATOM 0 HB3 HIS A 60 24.600 12.118 3.025 1.00 0.00 H new ATOM 0 HD1 HIS A 60 25.142 8.763 1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 60 22.392 11.942 1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 60 23.204 8.171 -0.358 1.00 0.00 H new ATOM 70 N HIS A 61 28.096 9.978 2.398 1.00 0.00 N ATOM 71 CA HIS A 61 28.901 8.778 2.202 1.00 0.00 C ATOM 72 C HIS A 61 28.141 7.540 2.666 1.00 0.00 C ATOM 73 O HIS A 61 27.607 6.787 1.852 1.00 0.00 O ATOM 74 CB HIS A 61 30.212 8.896 2.983 1.00 0.00 C ATOM 75 CG HIS A 61 31.051 7.670 2.742 1.00 0.00 C ATOM 76 ND1 HIS A 61 31.727 7.460 1.551 1.00 0.00 N ATOM 77 CD2 HIS A 61 31.332 6.582 3.531 1.00 0.00 C ATOM 78 CE1 HIS A 61 32.376 6.286 1.656 1.00 0.00 C ATOM 79 NE2 HIS A 61 32.169 5.709 2.842 1.00 0.00 N ATOM 0 H HIS A 61 28.353 10.534 3.214 1.00 0.00 H new ATOM 0 HA HIS A 61 29.118 8.679 1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 61 30.755 9.788 2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 61 30.005 9.005 4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 61 30.960 6.427 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 61 32.990 5.862 0.875 1.00 0.00 H new ATOM 0 HE2 HIS A 61 32.544 4.820 3.172 1.00 0.00 H new ATOM 87 N HIS A 62 28.094 7.337 3.978 1.00 0.00 N ATOM 88 CA HIS A 62 27.393 6.189 4.540 1.00 0.00 C ATOM 89 C HIS A 62 27.189 6.367 6.039 1.00 0.00 C ATOM 90 O HIS A 62 28.105 6.146 6.832 1.00 0.00 O ATOM 91 CB HIS A 62 28.193 4.911 4.279 1.00 0.00 C ATOM 92 CG HIS A 62 27.420 3.724 4.785 1.00 0.00 C ATOM 93 ND1 HIS A 62 27.401 3.370 6.125 1.00 0.00 N ATOM 94 CD2 HIS A 62 26.634 2.799 4.142 1.00 0.00 C ATOM 95 CE1 HIS A 62 26.627 2.276 6.244 1.00 0.00 C ATOM 96 NE2 HIS A 62 26.135 1.886 5.065 1.00 0.00 N ATOM 0 H HIS A 62 28.530 7.948 4.668 1.00 0.00 H new ATOM 0 HA HIS A 62 26.417 6.111 4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 62 28.389 4.803 3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 62 29.161 4.967 4.777 1.00 0.00 H new ATOM 0 HD1 HIS A 62 27.885 3.851 6.883 1.00 0.00 H new ATOM 0 HD2 HIS A 62 26.434 2.783 3.081 1.00 0.00 H new ATOM 0 HE1 HIS A 62 26.428 1.774 7.179 1.00 0.00 H new ATOM 104 N HIS A 63 25.981 6.766 6.426 1.00 0.00 N ATOM 105 CA HIS A 63 25.666 6.968 7.836 1.00 0.00 C ATOM 106 C HIS A 63 24.163 6.862 8.071 1.00 0.00 C ATOM 107 O HIS A 63 23.365 7.092 7.161 1.00 0.00 O ATOM 108 CB HIS A 63 26.161 8.343 8.289 1.00 0.00 C ATOM 109 CG HIS A 63 25.530 9.409 7.436 1.00 0.00 C ATOM 110 ND1 HIS A 63 24.583 10.291 7.935 1.00 0.00 N ATOM 111 CD2 HIS A 63 25.699 9.747 6.116 1.00 0.00 C ATOM 112 CE1 HIS A 63 24.222 11.109 6.930 1.00 0.00 C ATOM 113 NE2 HIS A 63 24.872 10.821 5.799 1.00 0.00 N ATOM 0 H HIS A 63 25.209 6.955 5.787 1.00 0.00 H new ATOM 0 HA HIS A 63 26.167 6.193 8.416 1.00 0.00 H new ATOM 0 HB2 HIS A 63 25.909 8.505 9.337 1.00 0.00 H new ATOM 0 HB3 HIS A 63 27.247 8.395 8.210 1.00 0.00 H new ATOM 0 HD1 HIS A 63 24.225 10.315 8.890 1.00 0.00 H new ATOM 0 HD2 HIS A 63 26.371 9.255 5.429 1.00 0.00 H new ATOM 0 HE1 HIS A 63 23.495 11.902 7.026 1.00 0.00 H new ATOM 121 N GLY A 64 23.783 6.515 9.296 1.00 0.00 N ATOM 122 CA GLY A 64 22.372 6.384 9.638 1.00 0.00 C ATOM 123 C GLY A 64 22.192 5.526 10.884 1.00 0.00 C ATOM 124 O GLY A 64 23.022 4.668 11.185 1.00 0.00 O ATOM 0 H GLY A 64 24.427 6.321 10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.941 7.371 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.831 5.938 8.803 1.00 0.00 H new ATOM 128 N SER A 65 21.101 5.761 11.607 1.00 0.00 N ATOM 129 CA SER A 65 20.820 5.000 12.820 1.00 0.00 C ATOM 130 C SER A 65 19.328 5.021 13.132 1.00 0.00 C ATOM 131 O SER A 65 18.928 5.037 14.296 1.00 0.00 O ATOM 132 CB SER A 65 21.599 5.587 13.997 1.00 0.00 C ATOM 133 OG SER A 65 21.312 6.975 14.104 1.00 0.00 O ATOM 0 H SER A 65 20.402 6.467 11.376 1.00 0.00 H new ATOM 0 HA SER A 65 21.131 3.968 12.659 1.00 0.00 H new ATOM 0 HB2 SER A 65 21.326 5.075 14.920 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.669 5.435 13.852 1.00 0.00 H new ATOM 0 HG SER A 65 21.809 7.354 14.859 1.00 0.00 H new ATOM 139 N SER A 66 18.508 5.024 12.086 1.00 0.00 N ATOM 140 CA SER A 66 17.061 5.045 12.260 1.00 0.00 C ATOM 141 C SER A 66 16.540 3.653 12.600 1.00 0.00 C ATOM 142 O SER A 66 17.295 2.681 12.599 1.00 0.00 O ATOM 143 CB SER A 66 16.388 5.546 10.982 1.00 0.00 C ATOM 144 OG SER A 66 14.981 5.595 11.181 1.00 0.00 O ATOM 0 H SER A 66 18.819 5.012 11.115 1.00 0.00 H new ATOM 0 HA SER A 66 16.824 5.719 13.083 1.00 0.00 H new ATOM 0 HB2 SER A 66 16.765 6.535 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 66 16.626 4.885 10.149 1.00 0.00 H new ATOM 0 HG SER A 66 14.546 5.917 10.364 1.00 0.00 H new ATOM 150 N GLY A 67 15.247 3.565 12.891 1.00 0.00 N ATOM 151 CA GLY A 67 14.638 2.283 13.232 1.00 0.00 C ATOM 152 C GLY A 67 13.126 2.359 13.110 1.00 0.00 C ATOM 153 O GLY A 67 12.587 3.425 12.828 1.00 0.00 O ATOM 0 H GLY A 67 14.605 4.357 12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.023 1.505 12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.912 2.003 14.249 1.00 0.00 H new ATOM 157 N GLU A 68 12.458 1.225 13.322 1.00 0.00 N ATOM 158 CA GLU A 68 11.004 1.171 13.230 1.00 0.00 C ATOM 159 C GLU A 68 10.543 1.439 11.801 1.00 0.00 C ATOM 160 O GLU A 68 9.657 0.759 11.287 1.00 0.00 O ATOM 161 CB GLU A 68 10.378 2.204 14.175 1.00 0.00 C ATOM 162 CG GLU A 68 10.809 1.906 15.613 1.00 0.00 C ATOM 163 CD GLU A 68 12.243 2.376 15.838 1.00 0.00 C ATOM 164 OE1 GLU A 68 12.558 3.476 15.414 1.00 0.00 O ATOM 165 OE2 GLU A 68 13.005 1.630 16.430 1.00 0.00 O ATOM 0 H GLU A 68 12.901 0.337 13.557 1.00 0.00 H new ATOM 0 HA GLU A 68 10.680 0.171 13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.690 3.209 13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.291 2.174 14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.140 2.407 16.313 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.733 0.837 15.809 1.00 0.00 H new ATOM 172 N ASN A 69 11.153 2.430 11.165 1.00 0.00 N ATOM 173 CA ASN A 69 10.808 2.783 9.796 1.00 0.00 C ATOM 174 C ASN A 69 11.162 1.644 8.846 1.00 0.00 C ATOM 175 O ASN A 69 10.446 1.381 7.880 1.00 0.00 O ATOM 176 CB ASN A 69 11.544 4.056 9.377 1.00 0.00 C ATOM 177 CG ASN A 69 11.221 4.389 7.924 1.00 0.00 C ATOM 178 OD1 ASN A 69 10.057 4.368 7.524 1.00 0.00 O ATOM 179 ND2 ASN A 69 12.189 4.697 7.105 1.00 0.00 N ATOM 0 H ASN A 69 11.890 3.004 11.576 1.00 0.00 H new ATOM 0 HA ASN A 69 9.734 2.960 9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.252 4.884 10.022 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.619 3.921 9.498 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.982 4.921 6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.153 4.714 7.438 1.00 0.00 H new ATOM 186 N LEU A 70 12.275 0.977 9.124 1.00 0.00 N ATOM 187 CA LEU A 70 12.722 -0.128 8.286 1.00 0.00 C ATOM 188 C LEU A 70 11.694 -1.252 8.288 1.00 0.00 C ATOM 189 O LEU A 70 11.430 -1.869 7.257 1.00 0.00 O ATOM 190 CB LEU A 70 14.064 -0.661 8.795 1.00 0.00 C ATOM 191 CG LEU A 70 15.142 0.413 8.615 1.00 0.00 C ATOM 192 CD1 LEU A 70 16.425 -0.027 9.325 1.00 0.00 C ATOM 193 CD2 LEU A 70 15.429 0.618 7.118 1.00 0.00 C ATOM 0 H LEU A 70 12.882 1.180 9.918 1.00 0.00 H new ATOM 0 HA LEU A 70 12.840 0.240 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.983 -0.937 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.340 -1.563 8.249 1.00 0.00 H new ATOM 0 HG LEU A 70 14.790 1.351 9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.192 0.737 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.224 -0.165 10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.774 -0.967 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.196 1.383 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.778 -0.319 6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.517 0.935 6.613 1.00 0.00 H new ATOM 205 N TYR A 71 11.118 -1.512 9.454 1.00 0.00 N ATOM 206 CA TYR A 71 10.117 -2.567 9.585 1.00 0.00 C ATOM 207 C TYR A 71 8.914 -2.272 8.692 1.00 0.00 C ATOM 208 O TYR A 71 8.379 -3.165 8.042 1.00 0.00 O ATOM 209 CB TYR A 71 9.660 -2.679 11.041 1.00 0.00 C ATOM 210 CG TYR A 71 8.570 -3.719 11.147 1.00 0.00 C ATOM 211 CD1 TYR A 71 8.904 -5.077 11.227 1.00 0.00 C ATOM 212 CD2 TYR A 71 7.227 -3.327 11.166 1.00 0.00 C ATOM 213 CE1 TYR A 71 7.895 -6.041 11.326 1.00 0.00 C ATOM 214 CE2 TYR A 71 6.217 -4.291 11.265 1.00 0.00 C ATOM 215 CZ TYR A 71 6.550 -5.648 11.345 1.00 0.00 C ATOM 216 OH TYR A 71 5.555 -6.599 11.443 1.00 0.00 O ATOM 0 H TYR A 71 11.324 -1.012 10.319 1.00 0.00 H new ATOM 0 HA TYR A 71 10.566 -3.511 9.275 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.501 -2.952 11.678 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.293 -1.715 11.394 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.941 -5.380 11.212 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.970 -2.280 11.104 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.153 -7.088 11.388 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.181 -3.988 11.280 1.00 0.00 H new ATOM 0 HH TYR A 71 4.680 -6.158 11.444 1.00 0.00 H new ATOM 226 N PHE A 72 8.494 -1.013 8.668 1.00 0.00 N ATOM 227 CA PHE A 72 7.357 -0.610 7.851 1.00 0.00 C ATOM 228 C PHE A 72 7.634 -0.887 6.377 1.00 0.00 C ATOM 229 O PHE A 72 6.762 -1.361 5.648 1.00 0.00 O ATOM 230 CB PHE A 72 7.068 0.879 8.050 1.00 0.00 C ATOM 231 CG PHE A 72 5.884 1.280 7.201 1.00 0.00 C ATOM 232 CD1 PHE A 72 4.591 0.893 7.576 1.00 0.00 C ATOM 233 CD2 PHE A 72 6.080 2.039 6.040 1.00 0.00 C ATOM 234 CE1 PHE A 72 3.495 1.267 6.789 1.00 0.00 C ATOM 235 CE2 PHE A 72 4.983 2.412 5.255 1.00 0.00 C ATOM 236 CZ PHE A 72 3.690 2.026 5.629 1.00 0.00 C ATOM 0 H PHE A 72 8.922 -0.257 9.202 1.00 0.00 H new ATOM 0 HA PHE A 72 6.487 -1.189 8.161 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.862 1.083 9.101 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.942 1.470 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.440 0.307 8.471 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.077 2.336 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.498 0.969 7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.134 2.998 4.360 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.844 2.314 5.023 1.00 0.00 H new ATOM 246 N GLN A 73 8.848 -0.575 5.940 1.00 0.00 N ATOM 247 CA GLN A 73 9.225 -0.783 4.546 1.00 0.00 C ATOM 248 C GLN A 73 9.012 -2.238 4.144 1.00 0.00 C ATOM 249 O GLN A 73 8.792 -2.542 2.972 1.00 0.00 O ATOM 250 CB GLN A 73 10.695 -0.408 4.342 1.00 0.00 C ATOM 251 CG GLN A 73 11.037 -0.466 2.851 1.00 0.00 C ATOM 252 CD GLN A 73 12.489 -0.058 2.631 1.00 0.00 C ATOM 253 OE1 GLN A 73 12.786 0.762 1.661 1.00 0.00 O flip ATOM 254 NE2 GLN A 73 13.376 -0.497 3.364 1.00 0.00 N flip ATOM 0 H GLN A 73 9.584 -0.180 6.525 1.00 0.00 H new ATOM 0 HA GLN A 73 8.596 -0.149 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.883 0.593 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.336 -1.091 4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.873 -1.474 2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.376 0.197 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.141 -1.138 4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.346 -0.220 3.213 1.00 0.00 H new ATOM 263 N SER A 74 9.074 -3.133 5.125 1.00 0.00 N ATOM 264 CA SER A 74 8.886 -4.554 4.861 1.00 0.00 C ATOM 265 C SER A 74 7.504 -4.810 4.265 1.00 0.00 C ATOM 266 O SER A 74 7.340 -5.669 3.400 1.00 0.00 O ATOM 267 CB SER A 74 9.041 -5.351 6.156 1.00 0.00 C ATOM 268 OG SER A 74 10.264 -4.991 6.785 1.00 0.00 O ATOM 0 H SER A 74 9.252 -2.901 6.102 1.00 0.00 H new ATOM 0 HA SER A 74 9.643 -4.875 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.203 -5.150 6.823 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.029 -6.420 5.943 1.00 0.00 H new ATOM 0 HG SER A 74 10.129 -4.185 7.326 1.00 0.00 H new ATOM 274 N LEU A 75 6.516 -4.061 4.736 1.00 0.00 N ATOM 275 CA LEU A 75 5.152 -4.212 4.242 1.00 0.00 C ATOM 276 C LEU A 75 5.075 -3.838 2.764 1.00 0.00 C ATOM 277 O LEU A 75 4.376 -4.487 1.986 1.00 0.00 O ATOM 278 CB LEU A 75 4.198 -3.326 5.052 1.00 0.00 C ATOM 279 CG LEU A 75 3.861 -4.005 6.375 1.00 0.00 C ATOM 280 CD1 LEU A 75 5.143 -4.218 7.185 1.00 0.00 C ATOM 281 CD2 LEU A 75 2.893 -3.130 7.169 1.00 0.00 C ATOM 0 H LEU A 75 6.631 -3.347 5.455 1.00 0.00 H new ATOM 0 HA LEU A 75 4.856 -5.255 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.658 -2.355 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.286 -3.143 4.484 1.00 0.00 H new ATOM 0 HG LEU A 75 3.395 -4.970 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.900 -4.703 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.830 -4.848 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.613 -3.255 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.654 -3.617 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.355 -2.163 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.979 -2.985 6.594 1.00 0.00 H new ATOM 293 N MET A 76 5.788 -2.782 2.390 1.00 0.00 N ATOM 294 CA MET A 76 5.787 -2.325 1.007 1.00 0.00 C ATOM 295 C MET A 76 6.514 -3.318 0.113 1.00 0.00 C ATOM 296 O MET A 76 6.450 -3.230 -1.114 1.00 0.00 O ATOM 297 CB MET A 76 6.459 -0.953 0.906 1.00 0.00 C ATOM 298 CG MET A 76 5.516 0.123 1.446 1.00 0.00 C ATOM 299 SD MET A 76 6.277 1.752 1.238 1.00 0.00 S ATOM 300 CE MET A 76 4.774 2.734 1.472 1.00 0.00 C ATOM 0 H MET A 76 6.370 -2.230 3.020 1.00 0.00 H new ATOM 0 HA MET A 76 4.752 -2.246 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.391 -0.951 1.472 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.715 -0.738 -0.131 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.563 0.085 0.918 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.304 -0.059 2.500 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.031 3.793 1.490 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.082 2.542 0.652 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.303 2.459 2.416 1.00 0.00 H new ATOM 310 N LYS A 77 7.206 -4.265 0.732 1.00 0.00 N ATOM 311 CA LYS A 77 7.947 -5.279 -0.017 1.00 0.00 C ATOM 312 C LYS A 77 7.102 -6.533 -0.195 1.00 0.00 C ATOM 313 O LYS A 77 5.904 -6.522 0.078 1.00 0.00 O ATOM 314 CB LYS A 77 9.240 -5.630 0.718 1.00 0.00 C ATOM 315 CG LYS A 77 10.234 -4.474 0.585 1.00 0.00 C ATOM 316 CD LYS A 77 11.483 -4.776 1.417 1.00 0.00 C ATOM 317 CE LYS A 77 12.232 -5.968 0.811 1.00 0.00 C ATOM 318 NZ LYS A 77 13.644 -5.956 1.279 1.00 0.00 N ATOM 0 H LYS A 77 7.272 -4.355 1.746 1.00 0.00 H new ATOM 0 HA LYS A 77 8.189 -4.875 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.031 -5.825 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.670 -6.542 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.506 -4.333 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.775 -3.545 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.133 -3.902 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.201 -4.997 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.749 -6.901 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.198 -5.918 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.153 -6.765 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.101 -5.071 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.666 -6.024 2.317 1.00 0.00 H new ATOM 332 N ASP A 78 7.736 -7.607 -0.657 1.00 0.00 N ATOM 333 CA ASP A 78 7.033 -8.869 -0.869 1.00 0.00 C ATOM 334 C ASP A 78 6.084 -8.760 -2.058 1.00 0.00 C ATOM 335 O ASP A 78 4.868 -8.876 -1.905 1.00 0.00 O ATOM 336 CB ASP A 78 6.242 -9.241 0.391 1.00 0.00 C ATOM 337 CG ASP A 78 7.043 -8.877 1.636 1.00 0.00 C ATOM 338 OD1 ASP A 78 8.201 -9.252 1.703 1.00 0.00 O ATOM 339 OD2 ASP A 78 6.486 -8.224 2.503 1.00 0.00 O ATOM 0 H ASP A 78 8.729 -7.630 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 78 7.769 -9.646 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.286 -8.718 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.021 -10.308 0.390 1.00 0.00 H new ATOM 344 N THR A 79 6.646 -8.534 -3.239 1.00 0.00 N ATOM 345 CA THR A 79 5.840 -8.409 -4.446 1.00 0.00 C ATOM 346 C THR A 79 5.406 -9.781 -4.949 1.00 0.00 C ATOM 347 O THR A 79 4.497 -9.892 -5.771 1.00 0.00 O ATOM 348 CB THR A 79 6.638 -7.688 -5.535 1.00 0.00 C ATOM 349 OG1 THR A 79 7.922 -8.285 -5.648 1.00 0.00 O ATOM 350 CG2 THR A 79 6.786 -6.211 -5.171 1.00 0.00 C ATOM 0 H THR A 79 7.650 -8.434 -3.386 1.00 0.00 H new ATOM 0 HA THR A 79 4.949 -7.829 -4.206 1.00 0.00 H new ATOM 0 HB THR A 79 6.114 -7.770 -6.487 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.435 -7.827 -6.346 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.355 -5.700 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.799 -5.757 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.310 -6.122 -4.220 1.00 0.00 H new ATOM 358 N ASP A 80 6.061 -10.820 -4.448 1.00 0.00 N ATOM 359 CA ASP A 80 5.735 -12.184 -4.850 1.00 0.00 C ATOM 360 C ASP A 80 5.811 -12.328 -6.365 1.00 0.00 C ATOM 361 O ASP A 80 6.818 -12.784 -6.906 1.00 0.00 O ATOM 362 CB ASP A 80 4.327 -12.547 -4.372 1.00 0.00 C ATOM 363 CG ASP A 80 4.024 -14.004 -4.704 1.00 0.00 C ATOM 364 OD1 ASP A 80 4.945 -14.709 -5.081 1.00 0.00 O ATOM 365 OD2 ASP A 80 2.875 -14.393 -4.575 1.00 0.00 O ATOM 0 H ASP A 80 6.817 -10.747 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 80 6.459 -12.860 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.246 -12.386 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.593 -11.897 -4.848 1.00 0.00 H new ATOM 370 N SER A 81 4.742 -11.933 -7.049 1.00 0.00 N ATOM 371 CA SER A 81 4.699 -12.017 -8.508 1.00 0.00 C ATOM 372 C SER A 81 4.005 -10.791 -9.092 1.00 0.00 C ATOM 373 O SER A 81 2.859 -10.494 -8.757 1.00 0.00 O ATOM 374 CB SER A 81 3.953 -13.283 -8.930 1.00 0.00 C ATOM 375 OG SER A 81 3.652 -13.208 -10.317 1.00 0.00 O ATOM 0 H SER A 81 3.897 -11.553 -6.621 1.00 0.00 H new ATOM 0 HA SER A 81 5.720 -12.054 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.562 -14.164 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.035 -13.388 -8.352 1.00 0.00 H new ATOM 0 HG SER A 81 3.175 -14.018 -10.592 1.00 0.00 H new ATOM 381 N GLU A 82 4.705 -10.088 -9.969 1.00 0.00 N ATOM 382 CA GLU A 82 4.150 -8.893 -10.593 1.00 0.00 C ATOM 383 C GLU A 82 2.813 -9.200 -11.251 1.00 0.00 C ATOM 384 O GLU A 82 1.887 -8.389 -11.202 1.00 0.00 O ATOM 385 CB GLU A 82 5.122 -8.350 -11.643 1.00 0.00 C ATOM 386 CG GLU A 82 6.447 -7.957 -10.972 1.00 0.00 C ATOM 387 CD GLU A 82 7.335 -9.188 -10.805 1.00 0.00 C ATOM 388 OE1 GLU A 82 6.877 -10.274 -11.117 1.00 0.00 O ATOM 389 OE2 GLU A 82 8.458 -9.027 -10.365 1.00 0.00 O ATOM 0 H GLU A 82 5.653 -10.321 -10.265 1.00 0.00 H new ATOM 0 HA GLU A 82 3.996 -8.144 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.302 -9.104 -12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.686 -7.485 -12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.960 -7.207 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.251 -7.505 -9.999 1.00 0.00 H new ATOM 396 N GLU A 83 2.720 -10.370 -11.869 1.00 0.00 N ATOM 397 CA GLU A 83 1.490 -10.768 -12.540 1.00 0.00 C ATOM 398 C GLU A 83 0.353 -10.925 -11.536 1.00 0.00 C ATOM 399 O GLU A 83 -0.793 -10.580 -11.824 1.00 0.00 O ATOM 400 CB GLU A 83 1.706 -12.092 -13.281 1.00 0.00 C ATOM 401 CG GLU A 83 0.450 -12.440 -14.084 1.00 0.00 C ATOM 402 CD GLU A 83 0.665 -13.742 -14.850 1.00 0.00 C ATOM 403 OE1 GLU A 83 1.809 -14.142 -14.988 1.00 0.00 O ATOM 404 OE2 GLU A 83 -0.318 -14.321 -15.280 1.00 0.00 O ATOM 0 H GLU A 83 3.474 -11.055 -11.920 1.00 0.00 H new ATOM 0 HA GLU A 83 1.221 -9.989 -13.254 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.565 -12.012 -13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.927 -12.887 -12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.404 -12.539 -13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.218 -11.633 -14.779 1.00 0.00 H new ATOM 411 N GLU A 84 0.677 -11.452 -10.363 1.00 0.00 N ATOM 412 CA GLU A 84 -0.328 -11.657 -9.328 1.00 0.00 C ATOM 413 C GLU A 84 -0.862 -10.317 -8.830 1.00 0.00 C ATOM 414 O GLU A 84 -2.043 -10.194 -8.502 1.00 0.00 O ATOM 415 CB GLU A 84 0.277 -12.438 -8.158 1.00 0.00 C ATOM 416 CG GLU A 84 -0.824 -12.805 -7.159 1.00 0.00 C ATOM 417 CD GLU A 84 -1.733 -13.874 -7.758 1.00 0.00 C ATOM 418 OE1 GLU A 84 -1.408 -14.373 -8.823 1.00 0.00 O ATOM 419 OE2 GLU A 84 -2.739 -14.180 -7.140 1.00 0.00 O ATOM 0 H GLU A 84 1.620 -11.743 -10.105 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.153 -12.228 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.765 -13.341 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.043 -11.839 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.380 -13.170 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.407 -11.920 -6.906 1.00 0.00 H new ATOM 426 N ILE A 85 0.016 -9.325 -8.762 1.00 0.00 N ATOM 427 CA ILE A 85 -0.379 -8.003 -8.292 1.00 0.00 C ATOM 428 C ILE A 85 -1.411 -7.389 -9.234 1.00 0.00 C ATOM 429 O ILE A 85 -2.403 -6.809 -8.789 1.00 0.00 O ATOM 430 CB ILE A 85 0.848 -7.090 -8.206 1.00 0.00 C ATOM 431 CG1 ILE A 85 1.782 -7.598 -7.105 1.00 0.00 C ATOM 432 CG2 ILE A 85 0.404 -5.662 -7.878 1.00 0.00 C ATOM 433 CD1 ILE A 85 3.082 -6.791 -7.124 1.00 0.00 C ATOM 0 H ILE A 85 0.998 -9.408 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.823 -8.105 -7.302 1.00 0.00 H new ATOM 0 HB ILE A 85 1.372 -7.095 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.299 -7.506 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.996 -8.656 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.278 -5.014 -7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.263 -5.299 -8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.120 -5.654 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.747 -7.153 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.568 -6.906 -8.093 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.859 -5.738 -6.953 1.00 0.00 H new ATOM 445 N ARG A 86 -1.169 -7.516 -10.535 1.00 0.00 N ATOM 446 CA ARG A 86 -2.083 -6.967 -11.526 1.00 0.00 C ATOM 447 C ARG A 86 -3.459 -7.611 -11.400 1.00 0.00 C ATOM 448 O ARG A 86 -4.481 -6.924 -11.455 1.00 0.00 O ATOM 449 CB ARG A 86 -1.529 -7.207 -12.933 1.00 0.00 C ATOM 450 CG ARG A 86 -0.384 -6.233 -13.210 1.00 0.00 C ATOM 451 CD ARG A 86 0.211 -6.520 -14.588 1.00 0.00 C ATOM 452 NE ARG A 86 1.215 -5.515 -14.923 1.00 0.00 N ATOM 453 CZ ARG A 86 2.479 -5.646 -14.538 1.00 0.00 C ATOM 454 NH1 ARG A 86 2.821 -6.633 -13.755 1.00 0.00 N ATOM 455 NH2 ARG A 86 3.377 -4.791 -14.940 1.00 0.00 N ATOM 0 H ARG A 86 -0.354 -7.991 -10.924 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.181 -5.895 -11.352 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.176 -8.234 -13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.319 -7.074 -13.673 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.748 -5.206 -13.166 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.384 -6.332 -12.443 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.662 -7.512 -14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.578 -6.521 -15.340 1.00 0.00 H new ATOM 0 HE ARG A 86 0.940 -4.695 -15.464 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.118 -7.302 -13.440 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.791 -6.736 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.109 -4.020 -15.551 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.347 -4.893 -14.643 1.00 0.00 H new ATOM 469 N GLU A 87 -3.479 -8.927 -11.227 1.00 0.00 N ATOM 470 CA GLU A 87 -4.737 -9.650 -11.091 1.00 0.00 C ATOM 471 C GLU A 87 -5.448 -9.244 -9.804 1.00 0.00 C ATOM 472 O GLU A 87 -6.659 -9.028 -9.794 1.00 0.00 O ATOM 473 CB GLU A 87 -4.474 -11.157 -11.079 1.00 0.00 C ATOM 474 CG GLU A 87 -5.806 -11.907 -11.036 1.00 0.00 C ATOM 475 CD GLU A 87 -5.559 -13.410 -11.101 1.00 0.00 C ATOM 476 OE1 GLU A 87 -4.856 -13.837 -12.002 1.00 0.00 O ATOM 477 OE2 GLU A 87 -6.080 -14.114 -10.250 1.00 0.00 O ATOM 0 H GLU A 87 -2.645 -9.512 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.374 -9.401 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.911 -11.446 -11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.866 -11.424 -10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.344 -11.658 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.435 -11.597 -11.871 1.00 0.00 H new ATOM 484 N ALA A 88 -4.688 -9.146 -8.718 1.00 0.00 N ATOM 485 CA ALA A 88 -5.260 -8.773 -7.430 1.00 0.00 C ATOM 486 C ALA A 88 -5.971 -7.429 -7.533 1.00 0.00 C ATOM 487 O ALA A 88 -7.051 -7.244 -6.972 1.00 0.00 O ATOM 488 CB ALA A 88 -4.153 -8.684 -6.375 1.00 0.00 C ATOM 0 H ALA A 88 -3.683 -9.318 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.982 -9.535 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.587 -8.405 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.660 -9.652 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.423 -7.932 -6.676 1.00 0.00 H new ATOM 494 N PHE A 89 -5.363 -6.495 -8.256 1.00 0.00 N ATOM 495 CA PHE A 89 -5.953 -5.172 -8.423 1.00 0.00 C ATOM 496 C PHE A 89 -7.316 -5.280 -9.101 1.00 0.00 C ATOM 497 O PHE A 89 -8.288 -4.659 -8.667 1.00 0.00 O ATOM 498 CB PHE A 89 -5.028 -4.293 -9.269 1.00 0.00 C ATOM 499 CG PHE A 89 -5.536 -2.870 -9.258 1.00 0.00 C ATOM 500 CD1 PHE A 89 -5.316 -2.060 -8.136 1.00 0.00 C ATOM 501 CD2 PHE A 89 -6.223 -2.361 -10.365 1.00 0.00 C ATOM 502 CE1 PHE A 89 -5.783 -0.741 -8.122 1.00 0.00 C ATOM 503 CE2 PHE A 89 -6.691 -1.042 -10.350 1.00 0.00 C ATOM 504 CZ PHE A 89 -6.472 -0.231 -9.230 1.00 0.00 C ATOM 0 H PHE A 89 -4.470 -6.627 -8.732 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.082 -4.721 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.012 -4.331 -8.875 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.987 -4.668 -10.292 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.786 -2.454 -7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.392 -2.985 -11.230 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.612 -0.117 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.222 -0.649 -11.204 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.834 0.787 -9.220 1.00 0.00 H new ATOM 514 N ARG A 90 -7.381 -6.068 -10.173 1.00 0.00 N ATOM 515 CA ARG A 90 -8.633 -6.244 -10.902 1.00 0.00 C ATOM 516 C ARG A 90 -9.678 -6.914 -10.011 1.00 0.00 C ATOM 517 O ARG A 90 -10.822 -6.469 -9.938 1.00 0.00 O ATOM 518 CB ARG A 90 -8.393 -7.103 -12.144 1.00 0.00 C ATOM 519 CG ARG A 90 -9.664 -7.136 -12.995 1.00 0.00 C ATOM 520 CD ARG A 90 -9.470 -8.100 -14.166 1.00 0.00 C ATOM 521 NE ARG A 90 -8.407 -7.623 -15.046 1.00 0.00 N ATOM 522 CZ ARG A 90 -8.667 -6.805 -16.062 1.00 0.00 C ATOM 523 NH1 ARG A 90 -9.597 -5.896 -15.946 1.00 0.00 N ATOM 524 NH2 ARG A 90 -7.998 -6.916 -17.175 1.00 0.00 N ATOM 0 H ARG A 90 -6.590 -6.589 -10.552 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.002 -5.264 -11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.564 -6.698 -12.725 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.112 -8.115 -11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.513 -7.451 -12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.891 -6.137 -13.367 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.222 -9.093 -13.791 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.400 -8.194 -14.726 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.447 -7.923 -14.878 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.124 -5.813 -15.076 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.797 -5.268 -16.725 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.275 -7.630 -17.267 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.197 -6.289 -17.954 1.00 0.00 H new ATOM 538 N VAL A 91 -9.274 -7.983 -9.334 1.00 0.00 N ATOM 539 CA VAL A 91 -10.181 -8.707 -8.450 1.00 0.00 C ATOM 540 C VAL A 91 -10.643 -7.802 -7.314 1.00 0.00 C ATOM 541 O VAL A 91 -11.812 -7.823 -6.926 1.00 0.00 O ATOM 542 CB VAL A 91 -9.483 -9.942 -7.878 1.00 0.00 C ATOM 543 CG1 VAL A 91 -10.416 -10.641 -6.886 1.00 0.00 C ATOM 544 CG2 VAL A 91 -9.138 -10.905 -9.016 1.00 0.00 C ATOM 0 H VAL A 91 -8.330 -8.366 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.050 -9.024 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.569 -9.639 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.919 -11.521 -6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.664 -9.956 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.330 -10.944 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.640 -11.785 -8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.052 -11.208 -9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.475 -10.408 -9.724 1.00 0.00 H new ATOM 554 N GLU A 92 -9.717 -7.016 -6.776 1.00 0.00 N ATOM 555 CA GLU A 92 -10.040 -6.116 -5.676 1.00 0.00 C ATOM 556 C GLU A 92 -10.904 -4.962 -6.172 1.00 0.00 C ATOM 557 O GLU A 92 -11.646 -4.349 -5.403 1.00 0.00 O ATOM 558 CB GLU A 92 -8.753 -5.560 -5.061 1.00 0.00 C ATOM 559 CG GLU A 92 -9.082 -4.823 -3.760 1.00 0.00 C ATOM 560 CD GLU A 92 -9.563 -5.816 -2.707 1.00 0.00 C ATOM 561 OE1 GLU A 92 -9.201 -6.977 -2.808 1.00 0.00 O ATOM 562 OE2 GLU A 92 -10.299 -5.405 -1.828 1.00 0.00 O ATOM 0 H GLU A 92 -8.744 -6.984 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.592 -6.676 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.052 -6.371 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.267 -4.882 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.200 -4.295 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.851 -4.072 -3.942 1.00 0.00 H new ATOM 569 N ASP A 93 -10.813 -4.671 -7.467 1.00 0.00 N ATOM 570 CA ASP A 93 -11.600 -3.590 -8.054 1.00 0.00 C ATOM 571 C ASP A 93 -12.973 -4.101 -8.483 1.00 0.00 C ATOM 572 O ASP A 93 -13.217 -4.337 -9.666 1.00 0.00 O ATOM 573 CB ASP A 93 -10.867 -3.013 -9.266 1.00 0.00 C ATOM 574 CG ASP A 93 -11.494 -1.684 -9.670 1.00 0.00 C ATOM 575 OD1 ASP A 93 -12.286 -1.163 -8.900 1.00 0.00 O ATOM 576 OD2 ASP A 93 -11.175 -1.207 -10.746 1.00 0.00 O ATOM 0 H ASP A 93 -10.208 -5.163 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.733 -2.810 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.813 -2.870 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.915 -3.715 -10.098 1.00 0.00 H new ATOM 581 N LYS A 94 -13.866 -4.265 -7.513 1.00 0.00 N ATOM 582 CA LYS A 94 -15.211 -4.746 -7.801 1.00 0.00 C ATOM 583 C LYS A 94 -15.934 -3.790 -8.743 1.00 0.00 C ATOM 584 O LYS A 94 -16.624 -4.219 -9.668 1.00 0.00 O ATOM 585 CB LYS A 94 -16.008 -4.884 -6.504 1.00 0.00 C ATOM 586 CG LYS A 94 -15.427 -6.026 -5.666 1.00 0.00 C ATOM 587 CD LYS A 94 -16.326 -6.284 -4.454 1.00 0.00 C ATOM 588 CE LYS A 94 -16.161 -5.153 -3.436 1.00 0.00 C ATOM 589 NZ LYS A 94 -16.763 -5.561 -2.138 1.00 0.00 N ATOM 0 H LYS A 94 -13.684 -4.073 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.129 -5.721 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.972 -3.951 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -17.056 -5.080 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.347 -6.929 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.419 -5.772 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -17.367 -6.352 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.069 -7.239 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.104 -4.921 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.642 -4.246 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.651 -4.792 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.775 -5.761 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.285 -6.415 -1.787 1.00 0.00 H new ATOM 603 N ASP A 95 -15.775 -2.495 -8.500 1.00 0.00 N ATOM 604 CA ASP A 95 -16.430 -1.489 -9.329 1.00 0.00 C ATOM 605 C ASP A 95 -15.684 -1.322 -10.648 1.00 0.00 C ATOM 606 O ASP A 95 -16.105 -0.560 -11.519 1.00 0.00 O ATOM 607 CB ASP A 95 -16.458 -0.148 -8.591 1.00 0.00 C ATOM 608 CG ASP A 95 -16.887 -0.353 -7.144 1.00 0.00 C ATOM 609 OD1 ASP A 95 -18.068 -0.565 -6.919 1.00 0.00 O ATOM 610 OD2 ASP A 95 -16.022 -0.303 -6.280 1.00 0.00 O ATOM 0 H ASP A 95 -15.204 -2.118 -7.743 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.449 -1.817 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.471 0.314 -8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.146 0.535 -9.089 1.00 0.00 H new ATOM 615 N GLY A 96 -14.581 -2.049 -10.795 1.00 0.00 N ATOM 616 CA GLY A 96 -13.790 -1.980 -12.019 1.00 0.00 C ATOM 617 C GLY A 96 -13.569 -0.535 -12.444 1.00 0.00 C ATOM 618 O GLY A 96 -13.288 -0.255 -13.609 1.00 0.00 O ATOM 0 H GLY A 96 -14.217 -2.688 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -12.828 -2.468 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -14.298 -2.524 -12.816 1.00 0.00 H new ATOM 622 N ASN A 97 -13.699 0.383 -11.491 1.00 0.00 N ATOM 623 CA ASN A 97 -13.510 1.800 -11.778 1.00 0.00 C ATOM 624 C ASN A 97 -12.026 2.137 -11.862 1.00 0.00 C ATOM 625 O ASN A 97 -11.650 3.231 -12.284 1.00 0.00 O ATOM 626 CB ASN A 97 -14.165 2.646 -10.684 1.00 0.00 C ATOM 627 CG ASN A 97 -13.681 2.190 -9.312 1.00 0.00 C ATOM 628 OD1 ASN A 97 -12.898 1.244 -9.210 1.00 0.00 O ATOM 629 ND2 ASN A 97 -14.101 2.809 -8.243 1.00 0.00 N ATOM 0 H ASN A 97 -13.933 0.173 -10.521 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.976 2.022 -12.738 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.923 3.698 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.250 2.557 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.781 2.510 -7.322 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.749 3.592 -8.329 1.00 0.00 H new ATOM 636 N GLY A 98 -11.185 1.188 -11.462 1.00 0.00 N ATOM 637 CA GLY A 98 -9.742 1.394 -11.497 1.00 0.00 C ATOM 638 C GLY A 98 -9.269 2.133 -10.253 1.00 0.00 C ATOM 639 O GLY A 98 -8.200 2.745 -10.247 1.00 0.00 O ATOM 0 H GLY A 98 -11.476 0.275 -11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.235 0.432 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.473 1.963 -12.387 1.00 0.00 H new ATOM 643 N TYR A 99 -10.071 2.074 -9.193 1.00 0.00 N ATOM 644 CA TYR A 99 -9.720 2.745 -7.942 1.00 0.00 C ATOM 645 C TYR A 99 -10.153 1.905 -6.751 1.00 0.00 C ATOM 646 O TYR A 99 -11.175 1.215 -6.800 1.00 0.00 O ATOM 647 CB TYR A 99 -10.398 4.112 -7.876 1.00 0.00 C ATOM 648 CG TYR A 99 -9.994 4.931 -9.078 1.00 0.00 C ATOM 649 CD1 TYR A 99 -8.769 5.606 -9.088 1.00 0.00 C ATOM 650 CD2 TYR A 99 -10.847 5.014 -10.187 1.00 0.00 C ATOM 651 CE1 TYR A 99 -8.396 6.365 -10.204 1.00 0.00 C ATOM 652 CE2 TYR A 99 -10.474 5.771 -11.303 1.00 0.00 C ATOM 653 CZ TYR A 99 -9.248 6.447 -11.311 1.00 0.00 C ATOM 654 OH TYR A 99 -8.880 7.195 -12.411 1.00 0.00 O ATOM 0 H TYR A 99 -10.960 1.574 -9.173 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.638 2.875 -7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.481 3.992 -7.851 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -10.113 4.627 -6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -8.110 5.542 -8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -11.793 4.493 -10.180 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.451 6.887 -10.210 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.131 5.834 -12.158 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.584 7.145 -13.091 1.00 0.00 H new ATOM 664 N ILE A 100 -9.374 1.964 -5.673 1.00 0.00 N ATOM 665 CA ILE A 100 -9.689 1.201 -4.464 1.00 0.00 C ATOM 666 C ILE A 100 -10.132 2.133 -3.348 1.00 0.00 C ATOM 667 O ILE A 100 -9.401 3.039 -2.952 1.00 0.00 O ATOM 668 CB ILE A 100 -8.459 0.413 -4.012 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.896 -0.377 -5.199 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.858 -0.561 -2.899 1.00 0.00 C ATOM 671 CD1 ILE A 100 -9.000 -1.241 -5.821 1.00 0.00 C ATOM 0 H ILE A 100 -8.526 2.527 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.501 0.511 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.702 1.103 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.494 0.308 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.071 -1.008 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.982 -1.123 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.262 -0.003 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.614 -1.251 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.593 -1.800 -6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.381 -1.937 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.811 -0.601 -6.168 1.00 0.00 H new ATOM 683 N SER A 101 -11.338 1.902 -2.837 1.00 0.00 N ATOM 684 CA SER A 101 -11.875 2.726 -1.755 1.00 0.00 C ATOM 685 C SER A 101 -11.665 2.040 -0.409 1.00 0.00 C ATOM 686 O SER A 101 -11.112 0.946 -0.341 1.00 0.00 O ATOM 687 CB SER A 101 -13.366 2.973 -1.976 1.00 0.00 C ATOM 688 OG SER A 101 -13.941 3.466 -0.772 1.00 0.00 O ATOM 0 H SER A 101 -11.959 1.157 -3.151 1.00 0.00 H new ATOM 0 HA SER A 101 -11.347 3.680 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.512 3.690 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.859 2.049 -2.277 1.00 0.00 H new ATOM 0 HG SER A 101 -14.898 3.628 -0.909 1.00 0.00 H new ATOM 694 N ALA A 102 -12.107 2.695 0.660 1.00 0.00 N ATOM 695 CA ALA A 102 -11.959 2.139 1.999 1.00 0.00 C ATOM 696 C ALA A 102 -12.626 0.769 2.087 1.00 0.00 C ATOM 697 O ALA A 102 -12.042 -0.183 2.603 1.00 0.00 O ATOM 698 CB ALA A 102 -12.589 3.081 3.027 1.00 0.00 C ATOM 0 H ALA A 102 -12.567 3.605 0.626 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.896 2.028 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.475 2.659 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.093 4.051 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.649 3.205 2.805 1.00 0.00 H new ATOM 704 N ALA A 103 -13.851 0.678 1.583 1.00 0.00 N ATOM 705 CA ALA A 103 -14.588 -0.579 1.616 1.00 0.00 C ATOM 706 C ALA A 103 -13.782 -1.690 0.950 1.00 0.00 C ATOM 707 O ALA A 103 -13.622 -2.775 1.511 1.00 0.00 O ATOM 708 CB ALA A 103 -15.927 -0.418 0.892 1.00 0.00 C ATOM 0 H ALA A 103 -14.352 1.454 1.150 1.00 0.00 H new ATOM 0 HA ALA A 103 -14.766 -0.846 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -16.472 -1.362 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -16.516 0.356 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.748 -0.134 -0.145 1.00 0.00 H new ATOM 714 N GLU A 104 -13.272 -1.411 -0.245 1.00 0.00 N ATOM 715 CA GLU A 104 -12.480 -2.395 -0.976 1.00 0.00 C ATOM 716 C GLU A 104 -11.119 -2.585 -0.316 1.00 0.00 C ATOM 717 O GLU A 104 -10.619 -3.704 -0.211 1.00 0.00 O ATOM 718 CB GLU A 104 -12.290 -1.939 -2.423 1.00 0.00 C ATOM 719 CG GLU A 104 -13.650 -1.864 -3.119 1.00 0.00 C ATOM 720 CD GLU A 104 -13.500 -1.209 -4.487 1.00 0.00 C ATOM 721 OE1 GLU A 104 -13.506 0.010 -4.544 1.00 0.00 O ATOM 722 OE2 GLU A 104 -13.382 -1.936 -5.461 1.00 0.00 O ATOM 0 H GLU A 104 -13.391 -0.519 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.012 -3.346 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.803 -0.964 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.637 -2.634 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -14.067 -2.865 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.349 -1.293 -2.508 1.00 0.00 H new ATOM 729 N LEU A 105 -10.527 -1.486 0.130 1.00 0.00 N ATOM 730 CA LEU A 105 -9.229 -1.540 0.779 1.00 0.00 C ATOM 731 C LEU A 105 -9.304 -2.352 2.068 1.00 0.00 C ATOM 732 O LEU A 105 -8.342 -3.020 2.453 1.00 0.00 O ATOM 733 CB LEU A 105 -8.736 -0.126 1.085 1.00 0.00 C ATOM 734 CG LEU A 105 -7.310 -0.190 1.683 1.00 0.00 C ATOM 735 CD1 LEU A 105 -6.441 0.902 1.053 1.00 0.00 C ATOM 736 CD2 LEU A 105 -7.382 0.026 3.198 1.00 0.00 C ATOM 0 H LEU A 105 -10.925 -0.550 0.054 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.527 -2.027 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.733 0.474 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.413 0.362 1.786 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.873 -1.167 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.437 0.856 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.389 0.749 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.877 1.879 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.378 -0.019 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.820 1.002 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.000 -0.752 3.647 1.00 0.00 H new ATOM 748 N ARG A 106 -10.449 -2.281 2.734 1.00 0.00 N ATOM 749 CA ARG A 106 -10.652 -3.019 3.976 1.00 0.00 C ATOM 750 C ARG A 106 -10.776 -4.515 3.694 1.00 0.00 C ATOM 751 O ARG A 106 -10.354 -5.346 4.498 1.00 0.00 O ATOM 752 CB ARG A 106 -11.907 -2.515 4.689 1.00 0.00 C ATOM 753 CG ARG A 106 -11.925 -3.044 6.123 1.00 0.00 C ATOM 754 CD ARG A 106 -13.171 -2.524 6.841 1.00 0.00 C ATOM 755 NE ARG A 106 -14.373 -3.081 6.231 1.00 0.00 N ATOM 756 CZ ARG A 106 -15.582 -2.672 6.600 1.00 0.00 C ATOM 757 NH1 ARG A 106 -15.727 -1.527 7.207 1.00 0.00 N ATOM 758 NH2 ARG A 106 -16.626 -3.417 6.353 1.00 0.00 N ATOM 0 H ARG A 106 -11.249 -1.722 2.437 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.788 -2.856 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -11.924 -1.425 4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -12.799 -2.846 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.922 -4.134 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.027 -2.724 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -13.131 -2.794 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.200 -1.436 6.792 1.00 0.00 H new ATOM 0 HE ARG A 106 -14.284 -3.796 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.912 -0.945 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -16.656 -1.214 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -16.513 -4.312 5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -17.555 -3.104 6.636 1.00 0.00 H new ATOM 772 N HIS A 107 -11.378 -4.847 2.559 1.00 0.00 N ATOM 773 CA HIS A 107 -11.574 -6.246 2.190 1.00 0.00 C ATOM 774 C HIS A 107 -10.236 -6.982 2.186 1.00 0.00 C ATOM 775 O HIS A 107 -10.143 -8.121 2.638 1.00 0.00 O ATOM 776 CB HIS A 107 -12.212 -6.336 0.798 1.00 0.00 C ATOM 777 CG HIS A 107 -12.927 -7.652 0.653 1.00 0.00 C ATOM 778 ND1 HIS A 107 -12.406 -8.832 1.159 1.00 0.00 N ATOM 779 CD2 HIS A 107 -14.121 -7.984 0.072 1.00 0.00 C ATOM 780 CE1 HIS A 107 -13.280 -9.814 0.874 1.00 0.00 C ATOM 781 NE2 HIS A 107 -14.346 -9.352 0.213 1.00 0.00 N ATOM 0 H HIS A 107 -11.737 -4.174 1.882 1.00 0.00 H new ATOM 0 HA HIS A 107 -12.235 -6.711 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.912 -5.513 0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.445 -6.241 0.029 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -11.522 -8.937 1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -14.787 -7.291 -0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.138 -10.849 1.146 1.00 0.00 H new ATOM 789 N VAL A 108 -9.204 -6.320 1.671 1.00 0.00 N ATOM 790 CA VAL A 108 -7.877 -6.924 1.613 1.00 0.00 C ATOM 791 C VAL A 108 -7.371 -7.236 3.017 1.00 0.00 C ATOM 792 O VAL A 108 -6.857 -8.321 3.271 1.00 0.00 O ATOM 793 CB VAL A 108 -6.901 -5.973 0.917 1.00 0.00 C ATOM 794 CG1 VAL A 108 -5.493 -6.567 0.955 1.00 0.00 C ATOM 795 CG2 VAL A 108 -7.333 -5.775 -0.537 1.00 0.00 C ATOM 0 H VAL A 108 -9.259 -5.375 1.291 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.944 -7.853 1.047 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.902 -5.012 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.799 -5.889 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.185 -6.708 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.490 -7.529 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.638 -5.098 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.333 -6.736 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.336 -5.350 -0.564 1.00 0.00 H new ATOM 805 N MET A 109 -7.526 -6.278 3.926 1.00 0.00 N ATOM 806 CA MET A 109 -7.080 -6.465 5.304 1.00 0.00 C ATOM 807 C MET A 109 -7.831 -7.620 5.957 1.00 0.00 C ATOM 808 O MET A 109 -7.258 -8.387 6.728 1.00 0.00 O ATOM 809 CB MET A 109 -7.314 -5.182 6.104 1.00 0.00 C ATOM 810 CG MET A 109 -6.394 -4.077 5.581 1.00 0.00 C ATOM 811 SD MET A 109 -4.672 -4.493 5.955 1.00 0.00 S ATOM 812 CE MET A 109 -3.939 -2.928 5.427 1.00 0.00 C ATOM 0 H MET A 109 -7.953 -5.371 3.736 1.00 0.00 H new ATOM 0 HA MET A 109 -6.015 -6.699 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.356 -4.873 6.018 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.120 -5.360 7.162 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.525 -3.960 4.505 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.656 -3.124 6.040 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.859 -2.964 5.573 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.157 -2.762 4.372 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.358 -2.113 6.017 1.00 0.00 H new ATOM 822 N THR A 110 -9.116 -7.739 5.639 1.00 0.00 N ATOM 823 CA THR A 110 -9.937 -8.807 6.198 1.00 0.00 C ATOM 824 C THR A 110 -9.334 -10.169 5.866 1.00 0.00 C ATOM 825 O THR A 110 -9.338 -11.079 6.694 1.00 0.00 O ATOM 826 CB THR A 110 -11.359 -8.723 5.640 1.00 0.00 C ATOM 827 OG1 THR A 110 -11.817 -7.381 5.721 1.00 0.00 O ATOM 828 CG2 THR A 110 -12.282 -9.630 6.453 1.00 0.00 C ATOM 0 H THR A 110 -9.609 -7.114 5.001 1.00 0.00 H new ATOM 0 HA THR A 110 -9.969 -8.689 7.281 1.00 0.00 H new ATOM 0 HB THR A 110 -11.362 -9.047 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 110 -11.289 -6.818 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 110 -13.295 -9.569 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 110 -11.928 -10.659 6.390 1.00 0.00 H new ATOM 0 HG23 THR A 110 -12.282 -9.309 7.495 1.00 0.00 H new ATOM 836 N ASN A 111 -8.818 -10.302 4.647 1.00 0.00 N ATOM 837 CA ASN A 111 -8.214 -11.558 4.215 1.00 0.00 C ATOM 838 C ASN A 111 -7.064 -11.941 5.142 1.00 0.00 C ATOM 839 O ASN A 111 -6.861 -13.118 5.441 1.00 0.00 O ATOM 840 CB ASN A 111 -7.695 -11.422 2.783 1.00 0.00 C ATOM 841 CG ASN A 111 -7.008 -12.713 2.354 1.00 0.00 C ATOM 842 OD1 ASN A 111 -7.042 -13.708 3.081 1.00 0.00 O ATOM 843 ND2 ASN A 111 -6.380 -12.758 1.212 1.00 0.00 N ATOM 0 H ASN A 111 -8.806 -9.561 3.946 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.973 -12.339 4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.521 -11.198 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.995 -10.589 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.916 -13.618 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.353 -11.934 0.612 1.00 0.00 H new ATOM 850 N LEU A 112 -6.315 -10.942 5.595 1.00 0.00 N ATOM 851 CA LEU A 112 -5.191 -11.189 6.492 1.00 0.00 C ATOM 852 C LEU A 112 -5.691 -11.630 7.860 1.00 0.00 C ATOM 853 O LEU A 112 -5.027 -12.401 8.555 1.00 0.00 O ATOM 854 CB LEU A 112 -4.346 -9.914 6.635 1.00 0.00 C ATOM 855 CG LEU A 112 -3.346 -9.830 5.482 1.00 0.00 C ATOM 856 CD1 LEU A 112 -4.099 -9.738 4.156 1.00 0.00 C ATOM 857 CD2 LEU A 112 -2.470 -8.592 5.661 1.00 0.00 C ATOM 0 H LEU A 112 -6.463 -9.961 5.359 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.576 -11.984 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.992 -9.036 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.818 -9.921 7.588 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.719 -10.722 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.384 -9.678 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.723 -10.623 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.727 -8.847 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.756 -8.530 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.097 -7.700 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.931 -8.661 6.606 1.00 0.00 H new ATOM 869 N GLY A 113 -6.861 -11.137 8.249 1.00 0.00 N ATOM 870 CA GLY A 113 -7.439 -11.491 9.543 1.00 0.00 C ATOM 871 C GLY A 113 -7.243 -10.371 10.552 1.00 0.00 C ATOM 872 O GLY A 113 -7.133 -10.618 11.753 1.00 0.00 O ATOM 0 H GLY A 113 -7.426 -10.495 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.503 -11.698 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -6.976 -12.405 9.914 1.00 0.00 H new ATOM 876 N GLU A 114 -7.200 -9.135 10.061 1.00 0.00 N ATOM 877 CA GLU A 114 -7.016 -7.977 10.937 1.00 0.00 C ATOM 878 C GLU A 114 -8.307 -7.176 11.028 1.00 0.00 C ATOM 879 O GLU A 114 -8.953 -6.894 10.018 1.00 0.00 O ATOM 880 CB GLU A 114 -5.901 -7.083 10.395 1.00 0.00 C ATOM 881 CG GLU A 114 -5.480 -6.085 11.475 1.00 0.00 C ATOM 882 CD GLU A 114 -4.671 -6.797 12.554 1.00 0.00 C ATOM 883 OE1 GLU A 114 -4.361 -7.962 12.364 1.00 0.00 O ATOM 884 OE2 GLU A 114 -4.369 -6.167 13.554 1.00 0.00 O ATOM 0 H GLU A 114 -7.289 -8.909 9.070 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.744 -8.333 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.048 -7.690 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.245 -6.552 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.887 -5.285 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.362 -5.620 11.917 1.00 0.00 H new ATOM 891 N LYS A 115 -8.689 -6.813 12.250 1.00 0.00 N ATOM 892 CA LYS A 115 -9.913 -6.043 12.467 1.00 0.00 C ATOM 893 C LYS A 115 -9.582 -4.587 12.755 1.00 0.00 C ATOM 894 O LYS A 115 -9.093 -4.252 13.836 1.00 0.00 O ATOM 895 CB LYS A 115 -10.695 -6.629 13.642 1.00 0.00 C ATOM 896 CG LYS A 115 -11.202 -8.024 13.273 1.00 0.00 C ATOM 897 CD LYS A 115 -11.949 -8.628 14.462 1.00 0.00 C ATOM 898 CE LYS A 115 -12.475 -10.014 14.085 1.00 0.00 C ATOM 899 NZ LYS A 115 -13.164 -10.621 15.259 1.00 0.00 N ATOM 0 H LYS A 115 -8.173 -7.037 13.101 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.519 -6.096 11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -10.058 -6.684 14.525 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.534 -5.980 13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.862 -7.965 12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -10.365 -8.664 12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -11.285 -8.702 15.323 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.776 -7.980 14.752 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.165 -9.936 13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -11.652 -10.652 13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -13.522 -11.563 15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -12.493 -10.708 16.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.959 -10.015 15.546 1.00 0.00 H new ATOM 913 N LEU A 116 -9.848 -3.719 11.782 1.00 0.00 N ATOM 914 CA LEU A 116 -9.573 -2.290 11.941 1.00 0.00 C ATOM 915 C LEU A 116 -10.875 -1.504 12.026 1.00 0.00 C ATOM 916 O LEU A 116 -11.869 -1.857 11.391 1.00 0.00 O ATOM 917 CB LEU A 116 -8.749 -1.785 10.755 1.00 0.00 C ATOM 918 CG LEU A 116 -7.538 -2.696 10.547 1.00 0.00 C ATOM 919 CD1 LEU A 116 -6.711 -2.187 9.364 1.00 0.00 C ATOM 920 CD2 LEU A 116 -6.672 -2.699 11.813 1.00 0.00 C ATOM 0 H LEU A 116 -10.251 -3.976 10.881 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.011 -2.145 12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.362 -1.767 9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.420 -0.762 10.937 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.881 -3.710 10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.848 -2.837 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.325 -2.189 8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.370 -1.172 9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.810 -3.349 11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.330 -1.685 12.023 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.260 -3.065 12.655 1.00 0.00 H new ATOM 932 N THR A 117 -10.863 -0.436 12.818 1.00 0.00 N ATOM 933 CA THR A 117 -12.051 0.396 12.983 1.00 0.00 C ATOM 934 C THR A 117 -12.240 1.299 11.770 1.00 0.00 C ATOM 935 O THR A 117 -11.360 1.402 10.917 1.00 0.00 O ATOM 936 CB THR A 117 -11.920 1.253 14.243 1.00 0.00 C ATOM 937 OG1 THR A 117 -11.070 2.357 13.974 1.00 0.00 O ATOM 938 CG2 THR A 117 -11.327 0.413 15.375 1.00 0.00 C ATOM 0 H THR A 117 -10.051 -0.128 13.352 1.00 0.00 H new ATOM 0 HA THR A 117 -12.919 -0.256 13.078 1.00 0.00 H new ATOM 0 HB THR A 117 -12.904 1.615 14.541 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.612 3.164 13.849 1.00 0.00 H new ATOM 0 HG21 THR A 117 -11.234 1.025 16.272 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.981 -0.435 15.580 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.343 0.049 15.081 1.00 0.00 H new ATOM 946 N ASP A 118 -13.400 1.943 11.693 1.00 0.00 N ATOM 947 CA ASP A 118 -13.698 2.826 10.573 1.00 0.00 C ATOM 948 C ASP A 118 -12.728 4.000 10.538 1.00 0.00 C ATOM 949 O ASP A 118 -12.259 4.399 9.472 1.00 0.00 O ATOM 950 CB ASP A 118 -15.129 3.352 10.689 1.00 0.00 C ATOM 951 CG ASP A 118 -15.317 4.066 12.024 1.00 0.00 C ATOM 952 OD1 ASP A 118 -14.454 3.927 12.873 1.00 0.00 O ATOM 953 OD2 ASP A 118 -16.322 4.742 12.176 1.00 0.00 O ATOM 0 H ASP A 118 -14.144 1.871 12.388 1.00 0.00 H new ATOM 0 HA ASP A 118 -13.592 2.255 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -15.341 4.037 9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -15.836 2.527 10.606 1.00 0.00 H new ATOM 958 N GLU A 119 -12.429 4.553 11.710 1.00 0.00 N ATOM 959 CA GLU A 119 -11.513 5.681 11.801 1.00 0.00 C ATOM 960 C GLU A 119 -10.091 5.248 11.461 1.00 0.00 C ATOM 961 O GLU A 119 -9.358 5.973 10.788 1.00 0.00 O ATOM 962 CB GLU A 119 -11.547 6.266 13.215 1.00 0.00 C ATOM 963 CG GLU A 119 -10.659 7.509 13.274 1.00 0.00 C ATOM 964 CD GLU A 119 -10.761 8.159 14.651 1.00 0.00 C ATOM 965 OE1 GLU A 119 -11.254 7.508 15.556 1.00 0.00 O ATOM 966 OE2 GLU A 119 -10.340 9.297 14.779 1.00 0.00 O ATOM 0 H GLU A 119 -12.806 4.239 12.604 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.828 6.440 11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.570 6.524 13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.201 5.524 13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.624 7.237 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.962 8.219 12.504 1.00 0.00 H new ATOM 973 N GLU A 120 -9.709 4.066 11.931 1.00 0.00 N ATOM 974 CA GLU A 120 -8.370 3.549 11.669 1.00 0.00 C ATOM 975 C GLU A 120 -8.149 3.365 10.173 1.00 0.00 C ATOM 976 O GLU A 120 -7.077 3.674 9.654 1.00 0.00 O ATOM 977 CB GLU A 120 -8.177 2.211 12.387 1.00 0.00 C ATOM 978 CG GLU A 120 -7.997 2.453 13.887 1.00 0.00 C ATOM 979 CD GLU A 120 -7.881 1.122 14.620 1.00 0.00 C ATOM 980 OE1 GLU A 120 -7.897 0.099 13.956 1.00 0.00 O ATOM 981 OE2 GLU A 120 -7.776 1.145 15.835 1.00 0.00 O ATOM 0 H GLU A 120 -10.301 3.452 12.490 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.643 4.269 12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.039 1.566 12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.306 1.694 11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.104 3.053 14.062 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.843 3.019 14.276 1.00 0.00 H new ATOM 988 N VAL A 121 -9.168 2.864 9.486 1.00 0.00 N ATOM 989 CA VAL A 121 -9.071 2.648 8.050 1.00 0.00 C ATOM 990 C VAL A 121 -8.849 3.974 7.327 1.00 0.00 C ATOM 991 O VAL A 121 -8.006 4.071 6.441 1.00 0.00 O ATOM 992 CB VAL A 121 -10.355 1.988 7.534 1.00 0.00 C ATOM 993 CG1 VAL A 121 -10.351 1.981 6.001 1.00 0.00 C ATOM 994 CG2 VAL A 121 -10.426 0.548 8.047 1.00 0.00 C ATOM 0 H VAL A 121 -10.064 2.602 9.897 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.223 1.992 7.853 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.219 2.549 7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -11.265 1.511 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.298 3.005 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -9.487 1.421 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -11.338 0.076 7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -9.560 -0.009 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.430 0.550 9.137 1.00 0.00 H new ATOM 1004 N ASP A 122 -9.620 4.985 7.704 1.00 0.00 N ATOM 1005 CA ASP A 122 -9.505 6.295 7.073 1.00 0.00 C ATOM 1006 C ASP A 122 -8.096 6.850 7.248 1.00 0.00 C ATOM 1007 O ASP A 122 -7.471 7.299 6.288 1.00 0.00 O ATOM 1008 CB ASP A 122 -10.515 7.261 7.693 1.00 0.00 C ATOM 1009 CG ASP A 122 -10.462 8.605 6.972 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -9.570 8.784 6.159 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -11.313 9.436 7.246 1.00 0.00 O ATOM 0 H ASP A 122 -10.327 4.926 8.437 1.00 0.00 H new ATOM 0 HA ASP A 122 -9.712 6.186 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -11.519 6.842 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -10.297 7.398 8.752 1.00 0.00 H new ATOM 1016 N GLU A 123 -7.603 6.814 8.479 1.00 0.00 N ATOM 1017 CA GLU A 123 -6.265 7.316 8.770 1.00 0.00 C ATOM 1018 C GLU A 123 -5.206 6.450 8.098 1.00 0.00 C ATOM 1019 O GLU A 123 -4.185 6.956 7.640 1.00 0.00 O ATOM 1020 CB GLU A 123 -6.027 7.335 10.282 1.00 0.00 C ATOM 1021 CG GLU A 123 -6.922 8.396 10.927 1.00 0.00 C ATOM 1022 CD GLU A 123 -6.761 8.363 12.443 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -6.030 7.512 12.923 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -7.365 9.193 13.101 1.00 0.00 O ATOM 0 H GLU A 123 -8.104 6.446 9.287 1.00 0.00 H new ATOM 0 HA GLU A 123 -6.189 8.330 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.243 6.355 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.980 7.550 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.661 9.384 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -7.963 8.216 10.660 1.00 0.00 H new ATOM 1031 N MET A 124 -5.454 5.145 8.052 1.00 0.00 N ATOM 1032 CA MET A 124 -4.511 4.217 7.448 1.00 0.00 C ATOM 1033 C MET A 124 -4.276 4.577 5.983 1.00 0.00 C ATOM 1034 O MET A 124 -3.159 4.479 5.479 1.00 0.00 O ATOM 1035 CB MET A 124 -5.047 2.789 7.548 1.00 0.00 C ATOM 1036 CG MET A 124 -3.983 1.805 7.063 1.00 0.00 C ATOM 1037 SD MET A 124 -2.630 1.740 8.268 1.00 0.00 S ATOM 1038 CE MET A 124 -3.011 0.110 8.957 1.00 0.00 C ATOM 0 H MET A 124 -6.298 4.710 8.425 1.00 0.00 H new ATOM 0 HA MET A 124 -3.564 4.285 7.984 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.321 2.564 8.579 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.951 2.687 6.948 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.419 0.814 6.935 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.603 2.114 6.089 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.286 -0.135 9.734 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.013 0.122 9.386 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.963 -0.639 8.167 1.00 0.00 H new ATOM 1048 N ILE A 125 -5.337 4.968 5.297 1.00 0.00 N ATOM 1049 CA ILE A 125 -5.233 5.332 3.896 1.00 0.00 C ATOM 1050 C ILE A 125 -4.413 6.604 3.730 1.00 0.00 C ATOM 1051 O ILE A 125 -3.601 6.716 2.815 1.00 0.00 O ATOM 1052 CB ILE A 125 -6.631 5.547 3.305 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -7.386 4.216 3.298 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -6.510 6.064 1.867 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -8.860 4.463 2.964 1.00 0.00 C ATOM 0 H ILE A 125 -6.277 5.041 5.687 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.734 4.519 3.368 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.170 6.276 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.945 3.540 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.299 3.732 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.506 6.216 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.968 7.009 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.971 5.335 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -9.396 3.514 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.297 5.123 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.937 4.928 1.981 1.00 0.00 H new ATOM 1067 N ARG A 126 -4.655 7.576 4.600 1.00 0.00 N ATOM 1068 CA ARG A 126 -3.961 8.856 4.510 1.00 0.00 C ATOM 1069 C ARG A 126 -2.451 8.677 4.602 1.00 0.00 C ATOM 1070 O ARG A 126 -1.706 9.236 3.798 1.00 0.00 O ATOM 1071 CB ARG A 126 -4.428 9.779 5.644 1.00 0.00 C ATOM 1072 CG ARG A 126 -3.784 11.160 5.482 1.00 0.00 C ATOM 1073 CD ARG A 126 -4.283 12.092 6.588 1.00 0.00 C ATOM 1074 NE ARG A 126 -3.664 13.407 6.457 1.00 0.00 N ATOM 1075 CZ ARG A 126 -3.997 14.406 7.267 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -3.844 14.281 8.557 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -4.477 15.515 6.772 1.00 0.00 N ATOM 0 H ARG A 126 -5.320 7.505 5.370 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.198 9.298 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.514 9.869 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -4.157 9.351 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.698 11.074 5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -4.030 11.575 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.368 12.186 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.049 11.668 7.564 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.964 13.562 5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.468 13.415 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.100 15.049 9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.596 15.614 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.733 16.282 7.394 1.00 0.00 H new ATOM 1091 N GLU A 127 -2.015 7.891 5.575 1.00 0.00 N ATOM 1092 CA GLU A 127 -0.594 7.646 5.764 1.00 0.00 C ATOM 1093 C GLU A 127 -0.011 6.881 4.583 1.00 0.00 C ATOM 1094 O GLU A 127 1.145 7.084 4.208 1.00 0.00 O ATOM 1095 CB GLU A 127 -0.360 6.860 7.053 1.00 0.00 C ATOM 1096 CG GLU A 127 -1.227 5.609 7.046 1.00 0.00 C ATOM 1097 CD GLU A 127 -1.005 4.803 8.322 1.00 0.00 C ATOM 1098 OE1 GLU A 127 -1.340 5.305 9.382 1.00 0.00 O ATOM 1099 OE2 GLU A 127 -0.498 3.697 8.220 1.00 0.00 O ATOM 0 H GLU A 127 -2.621 7.414 6.242 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.092 8.611 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.692 6.587 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.601 7.478 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.278 5.887 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.988 4.998 6.176 1.00 0.00 H new ATOM 1106 N ALA A 128 -0.815 5.999 4.005 1.00 0.00 N ATOM 1107 CA ALA A 128 -0.366 5.200 2.871 1.00 0.00 C ATOM 1108 C ALA A 128 -0.494 5.992 1.574 1.00 0.00 C ATOM 1109 O ALA A 128 0.252 5.765 0.622 1.00 0.00 O ATOM 1110 CB ALA A 128 -1.200 3.920 2.774 1.00 0.00 C ATOM 0 H ALA A 128 -1.775 5.819 4.299 1.00 0.00 H new ATOM 0 HA ALA A 128 0.682 4.941 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.860 3.327 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.085 3.341 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.250 4.179 2.638 1.00 0.00 H new ATOM 1116 N ASP A 129 -1.446 6.921 1.542 1.00 0.00 N ATOM 1117 CA ASP A 129 -1.665 7.736 0.353 1.00 0.00 C ATOM 1118 C ASP A 129 -0.477 8.665 0.124 1.00 0.00 C ATOM 1119 O ASP A 129 -0.254 9.607 0.885 1.00 0.00 O ATOM 1120 CB ASP A 129 -2.939 8.565 0.515 1.00 0.00 C ATOM 1121 CG ASP A 129 -3.366 9.131 -0.829 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -2.608 8.993 -1.772 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -4.448 9.687 -0.896 1.00 0.00 O ATOM 0 H ASP A 129 -2.073 7.126 2.320 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.772 7.075 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -3.736 7.946 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.767 9.376 1.222 1.00 0.00 H new ATOM 1128 N ILE A 130 0.288 8.387 -0.926 1.00 0.00 N ATOM 1129 CA ILE A 130 1.456 9.197 -1.243 1.00 0.00 C ATOM 1130 C ILE A 130 1.044 10.574 -1.749 1.00 0.00 C ATOM 1131 O ILE A 130 1.621 11.589 -1.357 1.00 0.00 O ATOM 1132 CB ILE A 130 2.306 8.498 -2.305 1.00 0.00 C ATOM 1133 CG1 ILE A 130 2.685 7.097 -1.812 1.00 0.00 C ATOM 1134 CG2 ILE A 130 3.580 9.307 -2.560 1.00 0.00 C ATOM 1135 CD1 ILE A 130 3.371 6.324 -2.942 1.00 0.00 C ATOM 0 H ILE A 130 0.121 7.612 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 130 2.039 9.321 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 130 1.735 8.420 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 130 3.350 7.171 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.794 6.563 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 130 4.183 8.806 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 130 3.314 10.305 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.151 9.387 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 130 3.640 5.328 -2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 130 2.691 6.238 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.271 6.855 -3.252 1.00 0.00 H new ATOM 1147 N ASP A 131 0.053 10.599 -2.635 1.00 0.00 N ATOM 1148 CA ASP A 131 -0.417 11.857 -3.210 1.00 0.00 C ATOM 1149 C ASP A 131 -1.587 12.411 -2.409 1.00 0.00 C ATOM 1150 O ASP A 131 -2.226 13.380 -2.820 1.00 0.00 O ATOM 1151 CB ASP A 131 -0.841 11.639 -4.663 1.00 0.00 C ATOM 1152 CG ASP A 131 -1.891 10.540 -4.740 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -2.497 10.260 -3.723 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -2.083 10.001 -5.817 1.00 0.00 O ATOM 0 H ASP A 131 -0.438 9.770 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 131 0.399 12.578 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -1.241 12.565 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.025 11.368 -5.267 1.00 0.00 H new ATOM 1159 N GLY A 132 -1.864 11.791 -1.267 1.00 0.00 N ATOM 1160 CA GLY A 132 -2.954 12.243 -0.412 1.00 0.00 C ATOM 1161 C GLY A 132 -4.190 12.579 -1.236 1.00 0.00 C ATOM 1162 O GLY A 132 -4.818 13.617 -1.031 1.00 0.00 O ATOM 0 H GLY A 132 -1.354 10.981 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -3.197 11.468 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -2.639 13.121 0.152 1.00 0.00 H new ATOM 1166 N ASP A 133 -4.529 11.701 -2.175 1.00 0.00 N ATOM 1167 CA ASP A 133 -5.693 11.920 -3.029 1.00 0.00 C ATOM 1168 C ASP A 133 -6.927 11.254 -2.431 1.00 0.00 C ATOM 1169 O ASP A 133 -8.017 11.319 -2.999 1.00 0.00 O ATOM 1170 CB ASP A 133 -5.429 11.356 -4.426 1.00 0.00 C ATOM 1171 CG ASP A 133 -5.013 9.895 -4.328 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -4.844 9.422 -3.215 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -4.867 9.268 -5.364 1.00 0.00 O ATOM 0 H ASP A 133 -4.019 10.838 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 133 -5.873 12.993 -3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -6.326 11.447 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -4.646 11.933 -4.918 1.00 0.00 H new ATOM 1178 N GLY A 134 -6.750 10.617 -1.279 1.00 0.00 N ATOM 1179 CA GLY A 134 -7.859 9.950 -0.607 1.00 0.00 C ATOM 1180 C GLY A 134 -8.212 8.644 -1.299 1.00 0.00 C ATOM 1181 O GLY A 134 -8.984 7.839 -0.777 1.00 0.00 O ATOM 0 H GLY A 134 -5.856 10.548 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.594 9.755 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.729 10.606 -0.596 1.00 0.00 H new ATOM 1185 N GLN A 135 -7.643 8.433 -2.482 1.00 0.00 N ATOM 1186 CA GLN A 135 -7.907 7.213 -3.243 1.00 0.00 C ATOM 1187 C GLN A 135 -6.616 6.659 -3.829 1.00 0.00 C ATOM 1188 O GLN A 135 -5.681 7.402 -4.117 1.00 0.00 O ATOM 1189 CB GLN A 135 -8.893 7.510 -4.374 1.00 0.00 C ATOM 1190 CG GLN A 135 -10.254 7.879 -3.780 1.00 0.00 C ATOM 1191 CD GLN A 135 -11.223 8.262 -4.894 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -10.871 8.204 -6.071 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -12.431 8.653 -4.589 1.00 0.00 N ATOM 0 H GLN A 135 -7.001 9.084 -2.933 1.00 0.00 H new ATOM 0 HA GLN A 135 -8.336 6.471 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.520 8.327 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -8.991 6.640 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -10.653 7.038 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.143 8.709 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -12.720 8.700 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -13.085 8.911 -5.328 1.00 0.00 H new ATOM 1202 N VAL A 136 -6.567 5.343 -4.006 1.00 0.00 N ATOM 1203 CA VAL A 136 -5.378 4.698 -4.562 1.00 0.00 C ATOM 1204 C VAL A 136 -5.541 4.491 -6.061 1.00 0.00 C ATOM 1205 O VAL A 136 -6.502 3.871 -6.516 1.00 0.00 O ATOM 1206 CB VAL A 136 -5.155 3.347 -3.882 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -3.944 2.655 -4.509 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -4.898 3.566 -2.389 1.00 0.00 C ATOM 0 H VAL A 136 -7.329 4.705 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.517 5.342 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.039 2.723 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.784 1.692 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.123 2.501 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.060 3.279 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -4.739 2.604 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.013 4.189 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -5.759 4.061 -1.940 1.00 0.00 H new ATOM 1218 N ASN A 137 -4.592 5.016 -6.832 1.00 0.00 N ATOM 1219 CA ASN A 137 -4.637 4.886 -8.286 1.00 0.00 C ATOM 1220 C ASN A 137 -3.861 3.655 -8.738 1.00 0.00 C ATOM 1221 O ASN A 137 -3.047 3.113 -7.989 1.00 0.00 O ATOM 1222 CB ASN A 137 -4.040 6.133 -8.939 1.00 0.00 C ATOM 1223 CG ASN A 137 -4.886 7.357 -8.601 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -6.119 7.198 -8.209 1.00 0.00 O flip ATOM 1225 ND2 ASN A 137 -4.408 8.487 -8.696 1.00 0.00 N flip ATOM 0 H ASN A 137 -3.787 5.532 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.678 4.778 -8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.017 6.281 -8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.994 6.000 -10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.443 8.608 -9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.977 9.302 -8.468 1.00 0.00 H new ATOM 1232 N TYR A 138 -4.121 3.214 -9.966 1.00 0.00 N ATOM 1233 CA TYR A 138 -3.440 2.040 -10.504 1.00 0.00 C ATOM 1234 C TYR A 138 -1.930 2.265 -10.524 1.00 0.00 C ATOM 1235 O TYR A 138 -1.164 1.434 -10.040 1.00 0.00 O ATOM 1236 CB TYR A 138 -3.932 1.763 -11.925 1.00 0.00 C ATOM 1237 CG TYR A 138 -3.181 0.584 -12.497 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -3.509 -0.716 -12.091 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -2.158 0.788 -13.430 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -2.814 -1.810 -12.618 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -1.464 -0.305 -13.958 1.00 0.00 C ATOM 1242 CZ TYR A 138 -1.792 -1.605 -13.553 1.00 0.00 C ATOM 1243 OH TYR A 138 -1.106 -2.684 -14.072 1.00 0.00 O ATOM 0 H TYR A 138 -4.791 3.647 -10.602 1.00 0.00 H new ATOM 0 HA TYR A 138 -3.663 1.184 -9.867 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.002 1.557 -11.917 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.781 2.642 -12.551 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.298 -0.874 -11.371 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.904 1.790 -13.742 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.066 -2.812 -12.304 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -0.675 -0.147 -14.678 1.00 0.00 H new ATOM 0 HH TYR A 138 -0.431 -2.367 -14.708 1.00 0.00 H new ATOM 1253 N GLU A 139 -1.511 3.400 -11.075 1.00 0.00 N ATOM 1254 CA GLU A 139 -0.091 3.725 -11.143 1.00 0.00 C ATOM 1255 C GLU A 139 0.512 3.777 -9.742 1.00 0.00 C ATOM 1256 O GLU A 139 1.637 3.323 -9.525 1.00 0.00 O ATOM 1257 CB GLU A 139 0.102 5.079 -11.830 1.00 0.00 C ATOM 1258 CG GLU A 139 -0.311 4.973 -13.299 1.00 0.00 C ATOM 1259 CD GLU A 139 0.649 4.054 -14.047 1.00 0.00 C ATOM 1260 OE1 GLU A 139 1.741 3.839 -13.547 1.00 0.00 O ATOM 1261 OE2 GLU A 139 0.276 3.575 -15.104 1.00 0.00 O ATOM 0 H GLU A 139 -2.129 4.105 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 139 0.414 2.949 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.494 5.841 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 139 1.144 5.390 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.328 4.587 -13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.312 5.962 -13.757 1.00 0.00 H new ATOM 1268 N GLU A 140 -0.243 4.320 -8.785 1.00 0.00 N ATOM 1269 CA GLU A 140 0.226 4.413 -7.417 1.00 0.00 C ATOM 1270 C GLU A 140 0.201 3.042 -6.751 1.00 0.00 C ATOM 1271 O GLU A 140 1.049 2.735 -5.912 1.00 0.00 O ATOM 1272 CB GLU A 140 -0.664 5.381 -6.631 1.00 0.00 C ATOM 1273 CG GLU A 140 -0.094 5.569 -5.233 1.00 0.00 C ATOM 1274 CD GLU A 140 -0.898 6.620 -4.471 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -0.881 7.766 -4.891 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -1.521 6.265 -3.484 1.00 0.00 O ATOM 0 H GLU A 140 -1.177 4.699 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 140 1.252 4.782 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.719 6.340 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.680 4.992 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -0.116 4.622 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.950 5.875 -5.297 1.00 0.00 H new ATOM 1283 N PHE A 141 -0.779 2.221 -7.124 1.00 0.00 N ATOM 1284 CA PHE A 141 -0.900 0.886 -6.549 1.00 0.00 C ATOM 1285 C PHE A 141 0.328 0.048 -6.888 1.00 0.00 C ATOM 1286 O PHE A 141 0.928 -0.574 -6.011 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.156 0.201 -7.089 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.282 -1.175 -6.478 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.494 -1.311 -5.100 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -2.189 -2.315 -7.287 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.612 -2.585 -4.533 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -2.307 -3.587 -6.720 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.518 -3.724 -5.343 1.00 0.00 C ATOM 0 H PHE A 141 -1.493 2.454 -7.814 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.975 0.978 -5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.038 0.797 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -2.103 0.125 -8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.566 -0.433 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.026 -2.211 -8.350 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.776 -2.690 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.235 -4.465 -7.345 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.608 -4.707 -4.905 1.00 0.00 H new ATOM 1303 N VAL A 142 0.691 0.024 -8.166 1.00 0.00 N ATOM 1304 CA VAL A 142 1.838 -0.762 -8.605 1.00 0.00 C ATOM 1305 C VAL A 142 3.099 -0.305 -7.880 1.00 0.00 C ATOM 1306 O VAL A 142 3.857 -1.129 -7.365 1.00 0.00 O ATOM 1307 CB VAL A 142 2.033 -0.593 -10.116 1.00 0.00 C ATOM 1308 CG1 VAL A 142 3.333 -1.279 -10.547 1.00 0.00 C ATOM 1309 CG2 VAL A 142 0.853 -1.229 -10.857 1.00 0.00 C ATOM 0 H VAL A 142 0.213 0.534 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 142 1.653 -1.811 -8.374 1.00 0.00 H new ATOM 0 HB VAL A 142 2.086 0.469 -10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.470 -1.158 -11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.174 -0.828 -10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.282 -2.341 -10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.991 -1.109 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.800 -2.290 -10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -0.073 -0.741 -10.553 1.00 0.00 H new ATOM 1319 N GLN A 143 3.313 1.004 -7.835 1.00 0.00 N ATOM 1320 CA GLN A 143 4.481 1.552 -7.156 1.00 0.00 C ATOM 1321 C GLN A 143 4.399 1.303 -5.654 1.00 0.00 C ATOM 1322 O GLN A 143 5.359 0.858 -5.034 1.00 0.00 O ATOM 1323 CB GLN A 143 4.579 3.054 -7.422 1.00 0.00 C ATOM 1324 CG GLN A 143 4.867 3.292 -8.906 1.00 0.00 C ATOM 1325 CD GLN A 143 4.932 4.788 -9.191 1.00 0.00 C ATOM 1326 OE1 GLN A 143 5.581 5.534 -8.457 1.00 0.00 O ATOM 1327 NE2 GLN A 143 4.295 5.275 -10.221 1.00 0.00 N ATOM 0 H GLN A 143 2.699 1.701 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 143 5.369 1.054 -7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.649 3.546 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.370 3.491 -6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.810 2.820 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 143 4.089 2.831 -9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.758 4.656 -10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.334 6.275 -10.419 1.00 0.00 H new ATOM 1336 N MET A 144 3.243 1.598 -5.075 1.00 0.00 N ATOM 1337 CA MET A 144 3.041 1.408 -3.646 1.00 0.00 C ATOM 1338 C MET A 144 3.230 -0.058 -3.267 1.00 0.00 C ATOM 1339 O MET A 144 3.685 -0.371 -2.167 1.00 0.00 O ATOM 1340 CB MET A 144 1.634 1.860 -3.245 1.00 0.00 C ATOM 1341 CG MET A 144 1.424 1.623 -1.744 1.00 0.00 C ATOM 1342 SD MET A 144 0.892 -0.085 -1.471 1.00 0.00 S ATOM 1343 CE MET A 144 -0.886 0.201 -1.646 1.00 0.00 C ATOM 0 H MET A 144 2.433 1.969 -5.572 1.00 0.00 H new ATOM 0 HA MET A 144 3.779 2.010 -3.116 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.500 2.916 -3.479 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.888 1.310 -3.818 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.349 1.818 -1.201 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.676 2.314 -1.357 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.421 -0.739 -1.512 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.215 0.916 -0.892 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.094 0.599 -2.639 1.00 0.00 H new ATOM 1353 N MET A 145 2.873 -0.948 -4.184 1.00 0.00 N ATOM 1354 CA MET A 145 3.008 -2.378 -3.939 1.00 0.00 C ATOM 1355 C MET A 145 4.465 -2.811 -4.031 1.00 0.00 C ATOM 1356 O MET A 145 4.925 -3.651 -3.256 1.00 0.00 O ATOM 1357 CB MET A 145 2.167 -3.159 -4.954 1.00 0.00 C ATOM 1358 CG MET A 145 0.697 -3.135 -4.531 1.00 0.00 C ATOM 1359 SD MET A 145 0.483 -4.120 -3.024 1.00 0.00 S ATOM 1360 CE MET A 145 0.822 -5.739 -3.761 1.00 0.00 C ATOM 0 H MET A 145 2.490 -0.707 -5.098 1.00 0.00 H new ATOM 0 HA MET A 145 2.651 -2.590 -2.931 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.277 -2.721 -5.946 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.520 -4.188 -5.019 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.375 -2.108 -4.356 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.071 -3.533 -5.330 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.060 -6.450 -3.443 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.808 -5.654 -4.848 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.802 -6.088 -3.437 1.00 0.00 H new ATOM 1370 N THR A 146 5.184 -2.245 -4.994 1.00 0.00 N ATOM 1371 CA THR A 146 6.588 -2.587 -5.192 1.00 0.00 C ATOM 1372 C THR A 146 7.490 -1.477 -4.666 1.00 0.00 C ATOM 1373 O THR A 146 8.688 -1.450 -4.950 1.00 0.00 O ATOM 1374 CB THR A 146 6.869 -2.817 -6.679 1.00 0.00 C ATOM 1375 OG1 THR A 146 6.036 -3.863 -7.163 1.00 0.00 O ATOM 1376 CG2 THR A 146 8.343 -3.208 -6.873 1.00 0.00 C ATOM 0 H THR A 146 4.820 -1.551 -5.647 1.00 0.00 H new ATOM 0 HA THR A 146 6.799 -3.503 -4.639 1.00 0.00 H new ATOM 0 HB THR A 146 6.662 -1.900 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 146 6.215 -4.009 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 146 8.540 -3.371 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 146 8.984 -2.407 -6.504 1.00 0.00 H new ATOM 0 HG23 THR A 146 8.552 -4.124 -6.320 1.00 0.00 H new ATOM 1384 N ALA A 147 6.908 -0.563 -3.904 1.00 0.00 N ATOM 1385 CA ALA A 147 7.667 0.552 -3.349 1.00 0.00 C ATOM 1386 C ALA A 147 8.838 0.039 -2.520 1.00 0.00 C ATOM 1387 O ALA A 147 8.655 -0.457 -1.408 1.00 0.00 O ATOM 1388 CB ALA A 147 6.759 1.415 -2.470 1.00 0.00 C ATOM 0 H ALA A 147 5.919 -0.569 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 147 8.053 1.152 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 147 7.333 2.246 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 147 5.936 1.804 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 147 6.361 0.811 -1.655 1.00 0.00 H new ATOM 1394 N LYS A 148 10.043 0.159 -3.069 1.00 0.00 N ATOM 1395 CA LYS A 148 11.240 -0.297 -2.372 1.00 0.00 C ATOM 1396 C LYS A 148 10.993 -1.648 -1.708 1.00 0.00 C ATOM 1397 O LYS A 148 11.646 -1.926 -0.716 1.00 0.00 O ATOM 1398 CB LYS A 148 11.649 0.729 -1.314 1.00 0.00 C ATOM 1399 CG LYS A 148 12.129 2.009 -2.001 1.00 0.00 C ATOM 1400 CD LYS A 148 12.542 3.033 -0.941 1.00 0.00 C ATOM 1401 CE LYS A 148 13.028 4.310 -1.628 1.00 0.00 C ATOM 1402 NZ LYS A 148 13.451 5.299 -0.596 1.00 0.00 N ATOM 1403 OXT LYS A 148 10.152 -2.382 -2.199 1.00 0.00 O ATOM 0 H LYS A 148 10.216 0.565 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 148 12.043 -0.407 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 148 10.805 0.949 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 148 12.441 0.322 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 148 12.971 1.789 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.336 2.418 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 148 11.698 3.257 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 148 13.332 2.623 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.861 4.083 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.233 4.729 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 13.782 6.168 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 12.645 5.523 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 14.222 4.897 -0.026 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -13.488 0.060 -6.967 1.00 0.00 CA HETATM 1419 CA CA A 150 -3.222 8.095 -4.081 1.00 0.00 CA