USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 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 Set 1.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 145 MET CE :methyl -175:sc= 0 (180deg=-0.0105) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-6.5!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 HIS : no HE2:sc= -1.89! C(o=-1.9!,f=-9.2!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -78:sc= 0.876 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.56) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -176:sc= 0 (180deg=-0.0349) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0178 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= 0.0222 USER MOD Single : A 107 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.22) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 75:sc= 0.958 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0531 F(o=-1.8!,f=-0.053) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 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=-1.4) USER MOD Single : A 137 ASN : amide:sc= -0.351 K(o=-0.35,f=-3.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.271 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 144 MET CE :methyl -156:sc= -0.107 (180deg=-1.03) USER MOD Single : A 146 THR OG1 : rot 83:sc= 0.043 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 11.529 8.677 16.629 1.00 0.00 N ATOM 2 CA GLY A 56 10.417 9.581 16.220 1.00 0.00 C ATOM 3 C GLY A 56 10.663 10.978 16.779 1.00 0.00 C ATOM 4 O GLY A 56 10.409 11.979 16.110 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.348 9.620 15.133 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.466 9.194 16.586 1.00 0.00 H new ATOM 8 N SER A 57 11.160 11.038 18.011 1.00 0.00 N ATOM 9 CA SER A 57 11.435 12.317 18.652 1.00 0.00 C ATOM 10 C SER A 57 12.471 13.104 17.855 1.00 0.00 C ATOM 11 O SER A 57 12.351 14.317 17.689 1.00 0.00 O ATOM 12 CB SER A 57 11.947 12.091 20.075 1.00 0.00 C ATOM 13 OG SER A 57 10.944 11.426 20.832 1.00 0.00 O ATOM 0 H SER A 57 11.379 10.221 18.581 1.00 0.00 H new ATOM 0 HA SER A 57 10.508 12.890 18.688 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.860 11.496 20.056 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.198 13.044 20.540 1.00 0.00 H new ATOM 0 HG SER A 57 11.268 11.277 21.745 1.00 0.00 H new ATOM 19 N HIS A 58 13.490 12.403 17.368 1.00 0.00 N ATOM 20 CA HIS A 58 14.546 13.044 16.589 1.00 0.00 C ATOM 21 C HIS A 58 15.191 12.044 15.635 1.00 0.00 C ATOM 22 O HIS A 58 14.946 10.842 15.723 1.00 0.00 O ATOM 23 CB HIS A 58 15.608 13.623 17.525 1.00 0.00 C ATOM 24 CG HIS A 58 16.126 12.535 18.424 1.00 0.00 C ATOM 25 ND1 HIS A 58 15.717 11.217 18.303 1.00 0.00 N ATOM 26 CD2 HIS A 58 17.019 12.556 19.467 1.00 0.00 C ATOM 27 CE1 HIS A 58 16.358 10.505 19.249 1.00 0.00 C ATOM 28 NE2 HIS A 58 17.164 11.274 19.986 1.00 0.00 N ATOM 0 H HIS A 58 13.608 11.398 17.497 1.00 0.00 H new ATOM 0 HA HIS A 58 14.102 13.850 16.004 1.00 0.00 H new ATOM 0 HB2 HIS A 58 16.426 14.051 16.945 1.00 0.00 H new ATOM 0 HB3 HIS A 58 15.183 14.431 18.121 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.531 13.435 19.829 1.00 0.00 H new ATOM 0 HE1 HIS A 58 16.235 9.442 19.394 1.00 0.00 H new ATOM 0 HE2 HIS A 58 17.758 10.983 20.763 1.00 0.00 H new ATOM 36 N HIS A 59 16.013 12.552 14.722 1.00 0.00 N ATOM 37 CA HIS A 59 16.686 11.694 13.755 1.00 0.00 C ATOM 38 C HIS A 59 15.673 10.848 12.991 1.00 0.00 C ATOM 39 O HIS A 59 16.037 9.892 12.307 1.00 0.00 O ATOM 40 CB HIS A 59 17.680 10.778 14.472 1.00 0.00 C ATOM 41 CG HIS A 59 18.754 11.609 15.117 1.00 0.00 C ATOM 42 ND1 HIS A 59 19.759 12.219 14.381 1.00 0.00 N ATOM 43 CD2 HIS A 59 18.994 11.943 16.427 1.00 0.00 C ATOM 44 CE1 HIS A 59 20.550 12.880 15.246 1.00 0.00 C ATOM 45 NE2 HIS A 59 20.128 12.745 16.507 1.00 0.00 N ATOM 0 H HIS A 59 16.228 13.545 14.632 1.00 0.00 H new ATOM 0 HA HIS A 59 17.220 12.327 13.047 1.00 0.00 H new ATOM 0 HB2 HIS A 59 17.164 10.183 15.226 1.00 0.00 H new ATOM 0 HB3 HIS A 59 18.123 10.079 13.763 1.00 0.00 H new ATOM 0 HD2 HIS A 59 18.393 11.630 17.268 1.00 0.00 H new ATOM 0 HE1 HIS A 59 21.420 13.450 14.956 1.00 0.00 H new ATOM 0 HE2 HIS A 59 20.547 13.144 17.347 1.00 0.00 H new ATOM 53 N HIS A 60 14.400 11.207 13.111 1.00 0.00 N ATOM 54 CA HIS A 60 13.340 10.476 12.429 1.00 0.00 C ATOM 55 C HIS A 60 13.484 10.611 10.917 1.00 0.00 C ATOM 56 O HIS A 60 13.256 9.657 10.173 1.00 0.00 O ATOM 57 CB HIS A 60 11.973 11.003 12.865 1.00 0.00 C ATOM 58 CG HIS A 60 10.889 10.178 12.227 1.00 0.00 C ATOM 59 ND1 HIS A 60 10.116 10.655 11.181 1.00 0.00 N ATOM 60 CD2 HIS A 60 10.437 8.906 12.478 1.00 0.00 C ATOM 61 CE1 HIS A 60 9.248 9.684 10.843 1.00 0.00 C ATOM 62 NE2 HIS A 60 9.401 8.595 11.602 1.00 0.00 N ATOM 0 H HIS A 60 14.078 11.996 13.672 1.00 0.00 H new ATOM 0 HA HIS A 60 13.422 9.423 12.697 1.00 0.00 H new ATOM 0 HB2 HIS A 60 11.885 10.961 13.951 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.866 12.049 12.577 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.826 8.247 13.240 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.516 9.774 10.054 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.873 7.724 11.551 1.00 0.00 H new ATOM 70 N HIS A 61 13.858 11.805 10.468 1.00 0.00 N ATOM 71 CA HIS A 61 14.022 12.056 9.041 1.00 0.00 C ATOM 72 C HIS A 61 15.054 11.104 8.445 1.00 0.00 C ATOM 73 O HIS A 61 14.861 10.569 7.353 1.00 0.00 O ATOM 74 CB HIS A 61 14.471 13.501 8.814 1.00 0.00 C ATOM 75 CG HIS A 61 13.335 14.435 9.129 1.00 0.00 C ATOM 76 ND1 HIS A 61 13.080 14.882 10.415 1.00 0.00 N ATOM 77 CD2 HIS A 61 12.377 15.014 8.333 1.00 0.00 C ATOM 78 CE1 HIS A 61 12.008 15.692 10.358 1.00 0.00 C ATOM 79 NE2 HIS A 61 11.540 15.808 9.112 1.00 0.00 N ATOM 0 H HIS A 61 14.052 12.608 11.066 1.00 0.00 H new ATOM 0 HA HIS A 61 13.063 11.890 8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.330 13.730 9.445 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.791 13.636 7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.287 14.875 7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.578 16.188 11.215 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.741 16.360 8.799 1.00 0.00 H new ATOM 87 N HIS A 62 16.148 10.893 9.172 1.00 0.00 N ATOM 88 CA HIS A 62 17.202 10.000 8.703 1.00 0.00 C ATOM 89 C HIS A 62 18.109 9.591 9.859 1.00 0.00 C ATOM 90 O HIS A 62 18.766 10.432 10.474 1.00 0.00 O ATOM 91 CB HIS A 62 18.033 10.696 7.623 1.00 0.00 C ATOM 92 CG HIS A 62 19.069 9.742 7.097 1.00 0.00 C ATOM 93 ND1 HIS A 62 18.729 8.592 6.401 1.00 0.00 N ATOM 94 CD2 HIS A 62 20.441 9.754 7.153 1.00 0.00 C ATOM 95 CE1 HIS A 62 19.872 7.965 6.071 1.00 0.00 C ATOM 96 NE2 HIS A 62 20.946 8.631 6.504 1.00 0.00 N ATOM 0 H HIS A 62 16.327 11.324 10.079 1.00 0.00 H new ATOM 0 HA HIS A 62 16.738 9.107 8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 62 17.387 11.032 6.812 1.00 0.00 H new ATOM 0 HB3 HIS A 62 18.515 11.583 8.035 1.00 0.00 H new ATOM 0 HD1 HIS A 62 17.784 8.279 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 62 21.038 10.519 7.628 1.00 0.00 H new ATOM 0 HE1 HIS A 62 19.916 7.036 5.522 1.00 0.00 H new ATOM 104 N HIS A 63 18.139 8.294 10.150 1.00 0.00 N ATOM 105 CA HIS A 63 18.969 7.783 11.234 1.00 0.00 C ATOM 106 C HIS A 63 20.445 7.961 10.906 1.00 0.00 C ATOM 107 O HIS A 63 21.232 8.405 11.743 1.00 0.00 O ATOM 108 CB HIS A 63 18.672 6.302 11.467 1.00 0.00 C ATOM 109 CG HIS A 63 17.288 6.152 12.036 1.00 0.00 C ATOM 110 ND1 HIS A 63 16.948 6.636 13.289 1.00 0.00 N ATOM 111 CD2 HIS A 63 16.147 5.575 11.536 1.00 0.00 C ATOM 112 CE1 HIS A 63 15.652 6.345 13.500 1.00 0.00 C ATOM 113 NE2 HIS A 63 15.116 5.697 12.461 1.00 0.00 N ATOM 0 H HIS A 63 17.602 7.583 9.654 1.00 0.00 H new ATOM 0 HA HIS A 63 18.738 8.346 12.139 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.753 5.752 10.529 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.406 5.876 12.151 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.063 5.099 10.570 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.111 6.603 14.398 1.00 0.00 H new ATOM 0 HE2 HIS A 63 14.157 5.364 12.367 1.00 0.00 H new ATOM 121 N GLY A 64 20.821 7.611 9.678 1.00 0.00 N ATOM 122 CA GLY A 64 22.211 7.737 9.246 1.00 0.00 C ATOM 123 C GLY A 64 22.608 6.576 8.342 1.00 0.00 C ATOM 124 O GLY A 64 22.804 5.452 8.809 1.00 0.00 O ATOM 0 H GLY A 64 20.188 7.241 8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.347 8.679 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.865 7.765 10.117 1.00 0.00 H new ATOM 128 N SER A 65 22.725 6.852 7.047 1.00 0.00 N ATOM 129 CA SER A 65 23.103 5.821 6.087 1.00 0.00 C ATOM 130 C SER A 65 22.320 4.539 6.343 1.00 0.00 C ATOM 131 O SER A 65 22.705 3.721 7.177 1.00 0.00 O ATOM 132 CB SER A 65 24.600 5.535 6.190 1.00 0.00 C ATOM 133 OG SER A 65 25.309 6.765 6.256 1.00 0.00 O ATOM 0 H SER A 65 22.565 7.774 6.640 1.00 0.00 H new ATOM 0 HA SER A 65 22.871 6.182 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 65 24.807 4.934 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 65 24.932 4.956 5.328 1.00 0.00 H new ATOM 0 HG SER A 65 26.270 6.585 6.324 1.00 0.00 H new ATOM 139 N SER A 66 21.217 4.369 5.620 1.00 0.00 N ATOM 140 CA SER A 66 20.385 3.181 5.778 1.00 0.00 C ATOM 141 C SER A 66 19.530 3.290 7.036 1.00 0.00 C ATOM 142 O SER A 66 19.651 4.249 7.799 1.00 0.00 O ATOM 143 CB SER A 66 21.265 1.930 5.863 1.00 0.00 C ATOM 144 OG SER A 66 21.564 1.659 7.226 1.00 0.00 O ATOM 0 H SER A 66 20.880 5.034 4.924 1.00 0.00 H new ATOM 0 HA SER A 66 19.729 3.103 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 66 20.752 1.079 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 66 22.186 2.080 5.299 1.00 0.00 H new ATOM 0 HG SER A 66 22.272 2.263 7.532 1.00 0.00 H new ATOM 150 N GLY A 67 18.665 2.303 7.245 1.00 0.00 N ATOM 151 CA GLY A 67 17.795 2.300 8.416 1.00 0.00 C ATOM 152 C GLY A 67 16.706 1.242 8.281 1.00 0.00 C ATOM 153 O GLY A 67 16.865 0.261 7.555 1.00 0.00 O ATOM 0 H GLY A 67 18.548 1.502 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.385 2.108 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.340 3.283 8.539 1.00 0.00 H new ATOM 157 N GLU A 68 15.597 1.449 8.982 1.00 0.00 N ATOM 158 CA GLU A 68 14.485 0.507 8.932 1.00 0.00 C ATOM 159 C GLU A 68 13.778 0.579 7.583 1.00 0.00 C ATOM 160 O GLU A 68 12.562 0.408 7.497 1.00 0.00 O ATOM 161 CB GLU A 68 13.487 0.818 10.051 1.00 0.00 C ATOM 162 CG GLU A 68 14.148 0.573 11.409 1.00 0.00 C ATOM 163 CD GLU A 68 14.444 -0.912 11.588 1.00 0.00 C ATOM 164 OE1 GLU A 68 13.534 -1.703 11.407 1.00 0.00 O ATOM 165 OE2 GLU A 68 15.579 -1.237 11.899 1.00 0.00 O ATOM 0 H GLU A 68 15.444 2.255 9.588 1.00 0.00 H new ATOM 0 HA GLU A 68 14.881 -0.499 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.154 1.853 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.602 0.191 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.072 1.147 11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.494 0.920 12.209 1.00 0.00 H new ATOM 172 N ASN A 69 14.547 0.835 6.530 1.00 0.00 N ATOM 173 CA ASN A 69 13.988 0.927 5.187 1.00 0.00 C ATOM 174 C ASN A 69 13.417 -0.419 4.751 1.00 0.00 C ATOM 175 O ASN A 69 12.399 -0.480 4.065 1.00 0.00 O ATOM 176 CB ASN A 69 15.064 1.378 4.200 1.00 0.00 C ATOM 177 CG ASN A 69 14.466 1.515 2.804 1.00 0.00 C ATOM 178 OD1 ASN A 69 13.310 1.916 2.659 1.00 0.00 O ATOM 179 ND2 ASN A 69 15.187 1.207 1.762 1.00 0.00 N ATOM 0 H ASN A 69 15.555 0.982 6.580 1.00 0.00 H new ATOM 0 HA ASN A 69 13.182 1.661 5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 69 15.486 2.331 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 69 15.881 0.657 4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.794 1.298 0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.144 0.875 1.884 1.00 0.00 H new ATOM 186 N LEU A 70 14.086 -1.493 5.150 1.00 0.00 N ATOM 187 CA LEU A 70 13.642 -2.835 4.792 1.00 0.00 C ATOM 188 C LEU A 70 12.253 -3.105 5.354 1.00 0.00 C ATOM 189 O LEU A 70 11.415 -3.720 4.694 1.00 0.00 O ATOM 190 CB LEU A 70 14.625 -3.873 5.339 1.00 0.00 C ATOM 191 CG LEU A 70 15.961 -3.750 4.602 1.00 0.00 C ATOM 192 CD1 LEU A 70 17.019 -4.598 5.314 1.00 0.00 C ATOM 193 CD2 LEU A 70 15.803 -4.239 3.152 1.00 0.00 C ATOM 0 H LEU A 70 14.933 -1.463 5.718 1.00 0.00 H new ATOM 0 HA LEU A 70 13.604 -2.908 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.772 -3.722 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.219 -4.876 5.212 1.00 0.00 H new ATOM 0 HG LEU A 70 16.273 -2.706 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.970 -4.510 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.137 -4.247 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.704 -5.641 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.757 -4.149 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.486 -5.282 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.054 -3.633 2.643 1.00 0.00 H new ATOM 205 N TYR A 71 12.015 -2.642 6.574 1.00 0.00 N ATOM 206 CA TYR A 71 10.719 -2.841 7.216 1.00 0.00 C ATOM 207 C TYR A 71 9.608 -2.202 6.387 1.00 0.00 C ATOM 208 O TYR A 71 8.583 -2.829 6.121 1.00 0.00 O ATOM 209 CB TYR A 71 10.731 -2.224 8.617 1.00 0.00 C ATOM 210 CG TYR A 71 9.358 -2.348 9.236 1.00 0.00 C ATOM 211 CD1 TYR A 71 8.935 -3.575 9.759 1.00 0.00 C ATOM 212 CD2 TYR A 71 8.508 -1.236 9.283 1.00 0.00 C ATOM 213 CE1 TYR A 71 7.663 -3.690 10.330 1.00 0.00 C ATOM 214 CE2 TYR A 71 7.236 -1.351 9.854 1.00 0.00 C ATOM 215 CZ TYR A 71 6.813 -2.579 10.378 1.00 0.00 C ATOM 216 OH TYR A 71 5.558 -2.692 10.941 1.00 0.00 O ATOM 0 H TYR A 71 12.695 -2.130 7.136 1.00 0.00 H new ATOM 0 HA TYR A 71 10.532 -3.912 7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.469 -2.728 9.241 1.00 0.00 H new ATOM 0 HB3 TYR A 71 11.023 -1.175 8.561 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.590 -4.433 9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.835 -0.289 8.878 1.00 0.00 H new ATOM 0 HE1 TYR A 71 7.337 -4.637 10.734 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.581 -0.493 9.891 1.00 0.00 H new ATOM 0 HH TYR A 71 5.099 -1.827 10.894 1.00 0.00 H new ATOM 226 N PHE A 72 9.819 -0.954 5.983 1.00 0.00 N ATOM 227 CA PHE A 72 8.830 -0.242 5.183 1.00 0.00 C ATOM 228 C PHE A 72 8.607 -0.951 3.851 1.00 0.00 C ATOM 229 O PHE A 72 7.471 -1.137 3.416 1.00 0.00 O ATOM 230 CB PHE A 72 9.295 1.192 4.931 1.00 0.00 C ATOM 231 CG PHE A 72 8.229 1.941 4.167 1.00 0.00 C ATOM 232 CD1 PHE A 72 7.092 2.414 4.834 1.00 0.00 C ATOM 233 CD2 PHE A 72 8.376 2.161 2.792 1.00 0.00 C ATOM 234 CE1 PHE A 72 6.104 3.109 4.126 1.00 0.00 C ATOM 235 CE2 PHE A 72 7.387 2.856 2.085 1.00 0.00 C ATOM 236 CZ PHE A 72 6.251 3.329 2.751 1.00 0.00 C ATOM 0 H PHE A 72 10.660 -0.418 6.195 1.00 0.00 H new ATOM 0 HA PHE A 72 7.889 -0.225 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.497 1.692 5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.228 1.189 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.977 2.243 5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.252 1.795 2.277 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.228 3.476 4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.501 3.027 1.025 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.488 3.864 2.205 1.00 0.00 H new ATOM 246 N GLN A 73 9.701 -1.341 3.206 1.00 0.00 N ATOM 247 CA GLN A 73 9.616 -2.023 1.919 1.00 0.00 C ATOM 248 C GLN A 73 8.879 -3.351 2.068 1.00 0.00 C ATOM 249 O GLN A 73 8.290 -3.857 1.113 1.00 0.00 O ATOM 250 CB GLN A 73 11.022 -2.277 1.368 1.00 0.00 C ATOM 251 CG GLN A 73 10.926 -2.689 -0.103 1.00 0.00 C ATOM 252 CD GLN A 73 10.551 -1.484 -0.959 1.00 0.00 C ATOM 253 OE1 GLN A 73 11.146 -0.414 -0.821 1.00 0.00 O ATOM 254 NE2 GLN A 73 9.594 -1.592 -1.839 1.00 0.00 N ATOM 0 H GLN A 73 10.651 -1.198 3.550 1.00 0.00 H new ATOM 0 HA GLN A 73 9.064 -1.387 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.631 -1.378 1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.514 -3.060 1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.879 -3.100 -0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.180 -3.475 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.103 -2.479 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.337 -0.790 -2.414 1.00 0.00 H new ATOM 263 N SER A 74 8.918 -3.912 3.271 1.00 0.00 N ATOM 264 CA SER A 74 8.253 -5.182 3.533 1.00 0.00 C ATOM 265 C SER A 74 6.756 -5.068 3.265 1.00 0.00 C ATOM 266 O SER A 74 6.134 -5.999 2.765 1.00 0.00 O ATOM 267 CB SER A 74 8.486 -5.605 4.986 1.00 0.00 C ATOM 268 OG SER A 74 8.250 -7.001 5.112 1.00 0.00 O ATOM 0 H SER A 74 9.400 -3.510 4.075 1.00 0.00 H new ATOM 0 HA SER A 74 8.672 -5.935 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.507 -5.368 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.822 -5.051 5.649 1.00 0.00 H new ATOM 0 HG SER A 74 8.400 -7.276 6.041 1.00 0.00 H new ATOM 274 N LEU A 75 6.186 -3.923 3.610 1.00 0.00 N ATOM 275 CA LEU A 75 4.758 -3.699 3.409 1.00 0.00 C ATOM 276 C LEU A 75 4.416 -3.737 1.922 1.00 0.00 C ATOM 277 O LEU A 75 3.383 -4.277 1.528 1.00 0.00 O ATOM 278 CB LEU A 75 4.352 -2.343 3.999 1.00 0.00 C ATOM 279 CG LEU A 75 4.179 -2.469 5.510 1.00 0.00 C ATOM 280 CD1 LEU A 75 5.495 -2.934 6.138 1.00 0.00 C ATOM 281 CD2 LEU A 75 3.785 -1.114 6.096 1.00 0.00 C ATOM 0 H LEU A 75 6.685 -3.138 4.028 1.00 0.00 H new ATOM 0 HA LEU A 75 4.208 -4.492 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.111 -1.595 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.422 -2.002 3.544 1.00 0.00 H new ATOM 0 HG LEU A 75 3.397 -3.197 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.371 -3.024 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.774 -3.902 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.278 -2.207 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.662 -1.206 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.565 -0.384 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.846 -0.784 5.651 1.00 0.00 H new ATOM 293 N MET A 76 5.284 -3.150 1.107 1.00 0.00 N ATOM 294 CA MET A 76 5.061 -3.114 -0.334 1.00 0.00 C ATOM 295 C MET A 76 5.222 -4.499 -0.936 1.00 0.00 C ATOM 296 O MET A 76 4.978 -4.703 -2.127 1.00 0.00 O ATOM 297 CB MET A 76 6.048 -2.151 -0.993 1.00 0.00 C ATOM 298 CG MET A 76 5.731 -0.718 -0.561 1.00 0.00 C ATOM 299 SD MET A 76 6.977 0.409 -1.235 1.00 0.00 S ATOM 300 CE MET A 76 6.156 0.742 -2.812 1.00 0.00 C ATOM 0 H MET A 76 6.143 -2.695 1.416 1.00 0.00 H new ATOM 0 HA MET A 76 4.043 -2.769 -0.514 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.068 -2.410 -0.710 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.986 -2.237 -2.078 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.740 -0.432 -0.912 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.715 -0.650 0.527 1.00 0.00 H new ATOM 0 HE1 MET A 76 6.796 1.373 -3.429 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.966 -0.199 -3.329 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.211 1.253 -2.629 1.00 0.00 H new ATOM 310 N LYS A 77 5.637 -5.455 -0.109 1.00 0.00 N ATOM 311 CA LYS A 77 5.832 -6.828 -0.573 1.00 0.00 C ATOM 312 C LYS A 77 5.158 -7.812 0.370 1.00 0.00 C ATOM 313 O LYS A 77 5.471 -7.870 1.557 1.00 0.00 O ATOM 314 CB LYS A 77 7.326 -7.139 -0.659 1.00 0.00 C ATOM 315 CG LYS A 77 7.537 -8.421 -1.470 1.00 0.00 C ATOM 316 CD LYS A 77 9.028 -8.605 -1.756 1.00 0.00 C ATOM 317 CE LYS A 77 9.778 -8.860 -0.448 1.00 0.00 C ATOM 318 NZ LYS A 77 11.124 -9.422 -0.747 1.00 0.00 N ATOM 0 H LYS A 77 5.844 -5.307 0.879 1.00 0.00 H new ATOM 0 HA LYS A 77 5.383 -6.927 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.854 -6.309 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.742 -7.257 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.153 -9.280 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.980 -8.368 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.176 -9.441 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.426 -7.717 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.877 -7.931 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.214 -9.552 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.633 -9.595 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.019 -10.317 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.661 -8.747 -1.328 1.00 0.00 H new ATOM 332 N ASP A 78 4.227 -8.596 -0.166 1.00 0.00 N ATOM 333 CA ASP A 78 3.510 -9.582 0.638 1.00 0.00 C ATOM 334 C ASP A 78 3.355 -10.892 -0.125 1.00 0.00 C ATOM 335 O ASP A 78 4.117 -11.835 0.081 1.00 0.00 O ATOM 336 CB ASP A 78 2.131 -9.041 1.017 1.00 0.00 C ATOM 337 CG ASP A 78 2.268 -7.953 2.079 1.00 0.00 C ATOM 338 OD1 ASP A 78 3.344 -7.832 2.641 1.00 0.00 O ATOM 339 OD2 ASP A 78 1.295 -7.255 2.312 1.00 0.00 O ATOM 0 H ASP A 78 3.952 -8.569 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 78 4.087 -9.773 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.635 -8.638 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.505 -9.850 1.393 1.00 0.00 H new ATOM 344 N THR A 79 2.362 -10.944 -1.005 1.00 0.00 N ATOM 345 CA THR A 79 2.107 -12.144 -1.788 1.00 0.00 C ATOM 346 C THR A 79 3.120 -12.267 -2.914 1.00 0.00 C ATOM 347 O THR A 79 3.869 -11.332 -3.196 1.00 0.00 O ATOM 348 CB THR A 79 0.694 -12.100 -2.375 1.00 0.00 C ATOM 349 OG1 THR A 79 0.685 -11.259 -3.520 1.00 0.00 O ATOM 350 CG2 THR A 79 -0.277 -11.549 -1.329 1.00 0.00 C ATOM 0 H THR A 79 1.723 -10.171 -1.193 1.00 0.00 H new ATOM 0 HA THR A 79 2.198 -13.009 -1.131 1.00 0.00 H new ATOM 0 HB THR A 79 0.387 -13.106 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.219 -11.231 -3.898 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.283 -11.518 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.269 -12.194 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.029 -10.542 -1.043 1.00 0.00 H new ATOM 358 N ASP A 80 3.146 -13.431 -3.557 1.00 0.00 N ATOM 359 CA ASP A 80 4.080 -13.675 -4.659 1.00 0.00 C ATOM 360 C ASP A 80 3.333 -14.163 -5.895 1.00 0.00 C ATOM 361 O ASP A 80 3.706 -13.840 -7.022 1.00 0.00 O ATOM 362 CB ASP A 80 5.120 -14.714 -4.240 1.00 0.00 C ATOM 363 CG ASP A 80 6.089 -14.105 -3.232 1.00 0.00 C ATOM 364 OD1 ASP A 80 6.104 -12.892 -3.110 1.00 0.00 O ATOM 365 OD2 ASP A 80 6.805 -14.863 -2.598 1.00 0.00 O ATOM 0 H ASP A 80 2.536 -14.218 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 80 4.583 -12.739 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.624 -15.581 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.666 -15.067 -5.115 1.00 0.00 H new ATOM 370 N SER A 81 2.278 -14.942 -5.676 1.00 0.00 N ATOM 371 CA SER A 81 1.487 -15.467 -6.783 1.00 0.00 C ATOM 372 C SER A 81 0.865 -14.321 -7.577 1.00 0.00 C ATOM 373 O SER A 81 -0.064 -13.662 -7.113 1.00 0.00 O ATOM 374 CB SER A 81 0.384 -16.381 -6.247 1.00 0.00 C ATOM 375 OG SER A 81 0.917 -17.208 -5.222 1.00 0.00 O ATOM 0 H SER A 81 1.953 -15.222 -4.750 1.00 0.00 H new ATOM 0 HA SER A 81 2.141 -16.039 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.441 -15.785 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.019 -16.995 -7.053 1.00 0.00 H new ATOM 0 HG SER A 81 0.212 -17.794 -4.875 1.00 0.00 H new ATOM 381 N GLU A 82 1.380 -14.095 -8.777 1.00 0.00 N ATOM 382 CA GLU A 82 0.870 -13.028 -9.631 1.00 0.00 C ATOM 383 C GLU A 82 -0.642 -13.143 -9.789 1.00 0.00 C ATOM 384 O GLU A 82 -1.336 -12.142 -9.952 1.00 0.00 O ATOM 385 CB GLU A 82 1.545 -13.090 -11.006 1.00 0.00 C ATOM 386 CG GLU A 82 1.199 -14.416 -11.692 1.00 0.00 C ATOM 387 CD GLU A 82 1.787 -15.582 -10.904 1.00 0.00 C ATOM 388 OE1 GLU A 82 2.870 -15.418 -10.363 1.00 0.00 O ATOM 389 OE2 GLU A 82 1.142 -16.613 -10.838 1.00 0.00 O ATOM 0 H GLU A 82 2.147 -14.632 -9.181 1.00 0.00 H new ATOM 0 HA GLU A 82 1.098 -12.071 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.215 -12.254 -11.622 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.625 -12.997 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.117 -14.525 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.589 -14.421 -12.710 1.00 0.00 H new ATOM 396 N GLU A 83 -1.143 -14.376 -9.761 1.00 0.00 N ATOM 397 CA GLU A 83 -2.569 -14.611 -9.914 1.00 0.00 C ATOM 398 C GLU A 83 -3.341 -13.992 -8.755 1.00 0.00 C ATOM 399 O GLU A 83 -4.423 -13.437 -8.945 1.00 0.00 O ATOM 400 CB GLU A 83 -2.845 -16.118 -9.966 1.00 0.00 C ATOM 401 CG GLU A 83 -2.224 -16.713 -11.232 1.00 0.00 C ATOM 402 CD GLU A 83 -2.955 -16.194 -12.465 1.00 0.00 C ATOM 403 OE1 GLU A 83 -4.087 -15.761 -12.320 1.00 0.00 O ATOM 404 OE2 GLU A 83 -2.375 -16.240 -13.537 1.00 0.00 O ATOM 0 H GLU A 83 -0.584 -15.220 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.898 -14.147 -10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.430 -16.604 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.919 -16.301 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.168 -16.449 -11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.279 -17.801 -11.197 1.00 0.00 H new ATOM 411 N GLU A 84 -2.778 -14.094 -7.557 1.00 0.00 N ATOM 412 CA GLU A 84 -3.426 -13.545 -6.372 1.00 0.00 C ATOM 413 C GLU A 84 -3.484 -12.022 -6.453 1.00 0.00 C ATOM 414 O GLU A 84 -4.423 -11.401 -5.953 1.00 0.00 O ATOM 415 CB GLU A 84 -2.663 -13.966 -5.114 1.00 0.00 C ATOM 416 CG GLU A 84 -3.485 -13.616 -3.872 1.00 0.00 C ATOM 417 CD GLU A 84 -4.678 -14.559 -3.755 1.00 0.00 C ATOM 418 OE1 GLU A 84 -4.762 -15.479 -4.553 1.00 0.00 O ATOM 419 OE2 GLU A 84 -5.485 -14.354 -2.864 1.00 0.00 O ATOM 0 H GLU A 84 -1.882 -14.548 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.443 -13.934 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.463 -15.037 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.697 -13.462 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.862 -13.691 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.831 -12.584 -3.933 1.00 0.00 H new ATOM 426 N ILE A 85 -2.471 -11.428 -7.073 1.00 0.00 N ATOM 427 CA ILE A 85 -2.419 -9.977 -7.203 1.00 0.00 C ATOM 428 C ILE A 85 -3.604 -9.473 -8.021 1.00 0.00 C ATOM 429 O ILE A 85 -4.304 -8.546 -7.610 1.00 0.00 O ATOM 430 CB ILE A 85 -1.118 -9.563 -7.888 1.00 0.00 C ATOM 431 CG1 ILE A 85 0.073 -10.126 -7.103 1.00 0.00 C ATOM 432 CG2 ILE A 85 -1.019 -8.036 -7.931 1.00 0.00 C ATOM 433 CD1 ILE A 85 1.381 -9.759 -7.812 1.00 0.00 C ATOM 0 H ILE A 85 -1.682 -11.923 -7.490 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.463 -9.538 -6.206 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.107 -9.955 -8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.074 -9.726 -6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.014 -11.209 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.089 -7.745 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.864 -7.632 -8.488 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.033 -7.642 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.224 -10.161 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.380 -10.180 -8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.470 -8.674 -7.873 1.00 0.00 H new ATOM 445 N ARG A 86 -3.824 -10.088 -9.179 1.00 0.00 N ATOM 446 CA ARG A 86 -4.931 -9.691 -10.042 1.00 0.00 C ATOM 447 C ARG A 86 -6.268 -9.961 -9.362 1.00 0.00 C ATOM 448 O ARG A 86 -7.159 -9.111 -9.363 1.00 0.00 O ATOM 449 CB ARG A 86 -4.863 -10.461 -11.364 1.00 0.00 C ATOM 450 CG ARG A 86 -5.981 -9.984 -12.292 1.00 0.00 C ATOM 451 CD ARG A 86 -5.829 -10.651 -13.659 1.00 0.00 C ATOM 452 NE ARG A 86 -6.818 -10.119 -14.592 1.00 0.00 N ATOM 453 CZ ARG A 86 -6.574 -9.024 -15.304 1.00 0.00 C ATOM 454 NH1 ARG A 86 -5.479 -8.343 -15.097 1.00 0.00 N ATOM 455 NH2 ARG A 86 -7.426 -8.628 -16.208 1.00 0.00 N ATOM 0 H ARG A 86 -3.257 -10.856 -9.539 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.848 -8.622 -10.238 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.893 -10.307 -11.837 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.961 -11.531 -11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.953 -10.228 -11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.942 -8.900 -12.398 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.824 -10.480 -14.046 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.953 -11.729 -13.561 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.713 -10.597 -14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.812 -8.652 -14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.290 -7.502 -15.643 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.282 -9.159 -16.370 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.237 -7.787 -16.753 1.00 0.00 H new ATOM 469 N GLU A 87 -6.398 -11.149 -8.778 1.00 0.00 N ATOM 470 CA GLU A 87 -7.632 -11.518 -8.095 1.00 0.00 C ATOM 471 C GLU A 87 -7.869 -10.613 -6.891 1.00 0.00 C ATOM 472 O GLU A 87 -8.968 -10.089 -6.706 1.00 0.00 O ATOM 473 CB GLU A 87 -7.555 -12.975 -7.633 1.00 0.00 C ATOM 474 CG GLU A 87 -8.872 -13.370 -6.961 1.00 0.00 C ATOM 475 CD GLU A 87 -8.835 -14.840 -6.565 1.00 0.00 C ATOM 476 OE1 GLU A 87 -7.757 -15.412 -6.582 1.00 0.00 O ATOM 477 OE2 GLU A 87 -9.885 -15.374 -6.246 1.00 0.00 O ATOM 0 H GLU A 87 -5.672 -11.865 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.462 -11.400 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.359 -13.627 -8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.727 -13.103 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.040 -12.752 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.705 -13.189 -7.640 1.00 0.00 H new ATOM 484 N ALA A 88 -6.834 -10.431 -6.079 1.00 0.00 N ATOM 485 CA ALA A 88 -6.946 -9.589 -4.895 1.00 0.00 C ATOM 486 C ALA A 88 -7.370 -8.177 -5.286 1.00 0.00 C ATOM 487 O ALA A 88 -8.207 -7.564 -4.622 1.00 0.00 O ATOM 488 CB ALA A 88 -5.600 -9.532 -4.168 1.00 0.00 C ATOM 0 H ALA A 88 -5.915 -10.852 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.700 -10.017 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.690 -8.901 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.306 -10.538 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.844 -9.117 -4.834 1.00 0.00 H new ATOM 494 N PHE A 89 -6.795 -7.671 -6.369 1.00 0.00 N ATOM 495 CA PHE A 89 -7.121 -6.326 -6.835 1.00 0.00 C ATOM 496 C PHE A 89 -8.621 -6.200 -7.084 1.00 0.00 C ATOM 497 O PHE A 89 -9.246 -5.220 -6.677 1.00 0.00 O ATOM 498 CB PHE A 89 -6.367 -6.027 -8.133 1.00 0.00 C ATOM 499 CG PHE A 89 -6.607 -4.593 -8.539 1.00 0.00 C ATOM 500 CD1 PHE A 89 -5.861 -3.565 -7.950 1.00 0.00 C ATOM 501 CD2 PHE A 89 -7.575 -4.290 -9.504 1.00 0.00 C ATOM 502 CE1 PHE A 89 -6.083 -2.235 -8.324 1.00 0.00 C ATOM 503 CE2 PHE A 89 -7.796 -2.960 -9.878 1.00 0.00 C ATOM 504 CZ PHE A 89 -7.050 -1.932 -9.288 1.00 0.00 C ATOM 0 H PHE A 89 -6.107 -8.164 -6.938 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.824 -5.612 -6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.300 -6.203 -7.994 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.701 -6.700 -8.923 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.114 -3.799 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.151 -5.082 -9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.508 -1.443 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.543 -2.726 -10.622 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.221 -0.906 -9.577 1.00 0.00 H new ATOM 514 N ARG A 90 -9.193 -7.197 -7.747 1.00 0.00 N ATOM 515 CA ARG A 90 -10.618 -7.185 -8.037 1.00 0.00 C ATOM 516 C ARG A 90 -11.437 -7.221 -6.749 1.00 0.00 C ATOM 517 O ARG A 90 -12.416 -6.486 -6.603 1.00 0.00 O ATOM 518 CB ARG A 90 -10.984 -8.391 -8.905 1.00 0.00 C ATOM 519 CG ARG A 90 -12.487 -8.339 -9.253 1.00 0.00 C ATOM 520 CD ARG A 90 -13.243 -9.381 -8.425 1.00 0.00 C ATOM 521 NE ARG A 90 -12.911 -10.725 -8.885 1.00 0.00 N ATOM 522 CZ ARG A 90 -13.476 -11.794 -8.337 1.00 0.00 C ATOM 523 NH1 ARG A 90 -14.719 -11.744 -7.944 1.00 0.00 N ATOM 524 NH2 ARG A 90 -12.791 -12.896 -8.194 1.00 0.00 N ATOM 0 H ARG A 90 -8.695 -8.018 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.848 -6.263 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.388 -8.389 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.754 -9.316 -8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.883 -7.343 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.631 -8.531 -10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.986 -9.275 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.317 -9.214 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.235 -10.845 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.256 -10.884 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.154 -12.565 -7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.820 -12.937 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.227 -13.716 -7.773 1.00 0.00 H new ATOM 538 N VAL A 91 -11.027 -8.071 -5.819 1.00 0.00 N ATOM 539 CA VAL A 91 -11.729 -8.199 -4.547 1.00 0.00 C ATOM 540 C VAL A 91 -11.766 -6.851 -3.832 1.00 0.00 C ATOM 541 O VAL A 91 -12.789 -6.472 -3.259 1.00 0.00 O ATOM 542 CB VAL A 91 -11.027 -9.231 -3.663 1.00 0.00 C ATOM 543 CG1 VAL A 91 -11.672 -9.241 -2.274 1.00 0.00 C ATOM 544 CG2 VAL A 91 -11.161 -10.618 -4.295 1.00 0.00 C ATOM 0 H VAL A 91 -10.215 -8.681 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.750 -8.529 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.972 -8.971 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.171 -9.977 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.578 -8.254 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.727 -9.500 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.661 -11.354 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.216 -10.876 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.701 -10.613 -5.283 1.00 0.00 H new ATOM 554 N GLU A 92 -10.648 -6.136 -3.863 1.00 0.00 N ATOM 555 CA GLU A 92 -10.571 -4.836 -3.206 1.00 0.00 C ATOM 556 C GLU A 92 -11.416 -3.814 -3.960 1.00 0.00 C ATOM 557 O GLU A 92 -11.813 -2.792 -3.399 1.00 0.00 O ATOM 558 CB GLU A 92 -9.112 -4.362 -3.163 1.00 0.00 C ATOM 559 CG GLU A 92 -8.392 -5.030 -1.991 1.00 0.00 C ATOM 560 CD GLU A 92 -8.356 -6.540 -2.195 1.00 0.00 C ATOM 561 OE1 GLU A 92 -9.394 -7.162 -2.041 1.00 0.00 O ATOM 562 OE2 GLU A 92 -7.294 -7.053 -2.500 1.00 0.00 O ATOM 0 H GLU A 92 -9.790 -6.430 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.952 -4.933 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.611 -4.608 -4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.074 -3.278 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.377 -4.642 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.902 -4.793 -1.057 1.00 0.00 H new ATOM 569 N ASP A 93 -11.692 -4.094 -5.230 1.00 0.00 N ATOM 570 CA ASP A 93 -12.500 -3.191 -6.043 1.00 0.00 C ATOM 571 C ASP A 93 -13.974 -3.582 -5.964 1.00 0.00 C ATOM 572 O ASP A 93 -14.551 -4.064 -6.938 1.00 0.00 O ATOM 573 CB ASP A 93 -12.034 -3.244 -7.499 1.00 0.00 C ATOM 574 CG ASP A 93 -10.704 -2.518 -7.645 1.00 0.00 C ATOM 575 OD1 ASP A 93 -10.336 -1.804 -6.727 1.00 0.00 O ATOM 576 OD2 ASP A 93 -10.073 -2.684 -8.672 1.00 0.00 O ATOM 0 H ASP A 93 -11.371 -4.932 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.381 -2.177 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.929 -4.281 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.782 -2.785 -8.146 1.00 0.00 H new ATOM 581 N LYS A 94 -14.576 -3.366 -4.799 1.00 0.00 N ATOM 582 CA LYS A 94 -15.983 -3.695 -4.603 1.00 0.00 C ATOM 583 C LYS A 94 -16.859 -2.904 -5.566 1.00 0.00 C ATOM 584 O LYS A 94 -17.819 -3.434 -6.127 1.00 0.00 O ATOM 585 CB LYS A 94 -16.397 -3.392 -3.162 1.00 0.00 C ATOM 586 CG LYS A 94 -15.690 -4.364 -2.214 1.00 0.00 C ATOM 587 CD LYS A 94 -16.096 -4.051 -0.772 1.00 0.00 C ATOM 588 CE LYS A 94 -15.429 -5.052 0.174 1.00 0.00 C ATOM 589 NZ LYS A 94 -15.790 -4.724 1.581 1.00 0.00 N ATOM 0 H LYS A 94 -14.115 -2.967 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.117 -4.758 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -16.138 -2.365 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -17.478 -3.484 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.956 -5.391 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.609 -4.278 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.799 -3.035 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -17.180 -4.103 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.749 -6.066 -0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.347 -5.021 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.336 -5.405 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.464 -3.763 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.822 -4.775 1.695 1.00 0.00 H new ATOM 603 N ASP A 95 -16.523 -1.631 -5.754 1.00 0.00 N ATOM 604 CA ASP A 95 -17.290 -0.775 -6.653 1.00 0.00 C ATOM 605 C ASP A 95 -16.886 -1.027 -8.102 1.00 0.00 C ATOM 606 O ASP A 95 -17.444 -0.433 -9.024 1.00 0.00 O ATOM 607 CB ASP A 95 -17.051 0.695 -6.301 1.00 0.00 C ATOM 608 CG ASP A 95 -15.555 0.994 -6.297 1.00 0.00 C ATOM 609 OD1 ASP A 95 -14.780 0.061 -6.437 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.204 2.153 -6.147 1.00 0.00 O ATOM 0 H ASP A 95 -15.732 -1.173 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.348 -1.008 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -17.557 1.337 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.477 0.917 -5.323 1.00 0.00 H new ATOM 615 N GLY A 96 -15.909 -1.908 -8.294 1.00 0.00 N ATOM 616 CA GLY A 96 -15.440 -2.232 -9.637 1.00 0.00 C ATOM 617 C GLY A 96 -14.917 -0.990 -10.348 1.00 0.00 C ATOM 618 O GLY A 96 -14.835 -0.953 -11.575 1.00 0.00 O ATOM 0 H GLY A 96 -15.430 -2.407 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.651 -2.982 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.254 -2.670 -10.214 1.00 0.00 H new ATOM 622 N ASN A 97 -14.565 0.027 -9.568 1.00 0.00 N ATOM 623 CA ASN A 97 -14.052 1.270 -10.135 1.00 0.00 C ATOM 624 C ASN A 97 -12.671 1.053 -10.741 1.00 0.00 C ATOM 625 O ASN A 97 -12.258 1.781 -11.643 1.00 0.00 O ATOM 626 CB ASN A 97 -13.974 2.345 -9.051 1.00 0.00 C ATOM 627 CG ASN A 97 -13.024 1.901 -7.943 1.00 0.00 C ATOM 628 OD1 ASN A 97 -12.470 0.804 -8.003 1.00 0.00 O ATOM 629 ND2 ASN A 97 -12.802 2.693 -6.931 1.00 0.00 N ATOM 0 H ASN A 97 -14.625 0.016 -8.550 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.733 1.597 -10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.628 3.284 -9.483 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.966 2.530 -8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.168 2.404 -6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.263 3.602 -6.884 1.00 0.00 H new ATOM 636 N GLY A 98 -11.961 0.049 -10.239 1.00 0.00 N ATOM 637 CA GLY A 98 -10.623 -0.253 -10.737 1.00 0.00 C ATOM 638 C GLY A 98 -9.582 0.629 -10.061 1.00 0.00 C ATOM 639 O GLY A 98 -8.507 0.874 -10.610 1.00 0.00 O ATOM 0 H GLY A 98 -12.286 -0.566 -9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.391 -1.302 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.589 -0.102 -11.816 1.00 0.00 H new ATOM 643 N TYR A 99 -9.903 1.105 -8.859 1.00 0.00 N ATOM 644 CA TYR A 99 -8.981 1.958 -8.114 1.00 0.00 C ATOM 645 C TYR A 99 -9.059 1.655 -6.625 1.00 0.00 C ATOM 646 O TYR A 99 -10.132 1.359 -6.094 1.00 0.00 O ATOM 647 CB TYR A 99 -9.322 3.428 -8.355 1.00 0.00 C ATOM 648 CG TYR A 99 -9.197 3.737 -9.827 1.00 0.00 C ATOM 649 CD1 TYR A 99 -7.955 4.094 -10.365 1.00 0.00 C ATOM 650 CD2 TYR A 99 -10.324 3.666 -10.654 1.00 0.00 C ATOM 651 CE1 TYR A 99 -7.840 4.381 -11.731 1.00 0.00 C ATOM 652 CE2 TYR A 99 -10.209 3.953 -12.020 1.00 0.00 C ATOM 653 CZ TYR A 99 -8.968 4.311 -12.558 1.00 0.00 C ATOM 654 OH TYR A 99 -8.854 4.593 -13.904 1.00 0.00 O ATOM 0 H TYR A 99 -10.786 0.916 -8.384 1.00 0.00 H new ATOM 0 HA TYR A 99 -7.968 1.758 -8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.335 3.638 -8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.652 4.067 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.085 4.148 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -11.282 3.390 -10.239 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.882 4.656 -12.146 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.078 3.898 -12.658 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.729 4.497 -14.334 1.00 0.00 H new ATOM 664 N ILE A 100 -7.915 1.728 -5.947 1.00 0.00 N ATOM 665 CA ILE A 100 -7.872 1.458 -4.511 1.00 0.00 C ATOM 666 C ILE A 100 -7.867 2.759 -3.725 1.00 0.00 C ATOM 667 O ILE A 100 -6.889 3.507 -3.740 1.00 0.00 O ATOM 668 CB ILE A 100 -6.612 0.655 -4.172 1.00 0.00 C ATOM 669 CG1 ILE A 100 -6.427 -0.460 -5.205 1.00 0.00 C ATOM 670 CG2 ILE A 100 -6.754 0.041 -2.778 1.00 0.00 C ATOM 671 CD1 ILE A 100 -7.707 -1.295 -5.297 1.00 0.00 C ATOM 0 H ILE A 100 -7.015 1.969 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.758 0.884 -4.240 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.745 1.316 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.190 -0.031 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.587 -1.094 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.857 -0.530 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.886 0.835 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.621 -0.620 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.572 -2.088 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.924 -1.736 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.537 -0.656 -5.599 1.00 0.00 H new ATOM 683 N SER A 101 -8.969 3.026 -3.029 1.00 0.00 N ATOM 684 CA SER A 101 -9.087 4.241 -2.225 1.00 0.00 C ATOM 685 C SER A 101 -8.744 3.953 -0.767 1.00 0.00 C ATOM 686 O SER A 101 -8.455 2.814 -0.399 1.00 0.00 O ATOM 687 CB SER A 101 -10.507 4.797 -2.322 1.00 0.00 C ATOM 688 OG SER A 101 -11.439 3.740 -2.137 1.00 0.00 O ATOM 0 H SER A 101 -9.790 2.421 -3.005 1.00 0.00 H new ATOM 0 HA SER A 101 -8.385 4.980 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.660 5.568 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.660 5.267 -3.294 1.00 0.00 H new ATOM 0 HG SER A 101 -12.351 4.094 -2.197 1.00 0.00 H new ATOM 694 N ALA A 102 -8.781 4.994 0.060 1.00 0.00 N ATOM 695 CA ALA A 102 -8.474 4.842 1.479 1.00 0.00 C ATOM 696 C ALA A 102 -9.385 3.795 2.111 1.00 0.00 C ATOM 697 O ALA A 102 -8.925 2.927 2.855 1.00 0.00 O ATOM 698 CB ALA A 102 -8.652 6.180 2.197 1.00 0.00 C ATOM 0 H ALA A 102 -9.018 5.944 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.439 4.514 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.421 6.059 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.980 6.919 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.682 6.518 2.087 1.00 0.00 H new ATOM 704 N ALA A 103 -10.678 3.880 1.812 1.00 0.00 N ATOM 705 CA ALA A 103 -11.643 2.931 2.358 1.00 0.00 C ATOM 706 C ALA A 103 -11.222 1.501 2.034 1.00 0.00 C ATOM 707 O ALA A 103 -11.215 0.634 2.906 1.00 0.00 O ATOM 708 CB ALA A 103 -13.028 3.203 1.771 1.00 0.00 C ATOM 0 H ALA A 103 -11.079 4.590 1.200 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.678 3.053 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.744 2.491 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.338 4.217 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -12.991 3.095 0.687 1.00 0.00 H new ATOM 714 N GLU A 104 -10.865 1.264 0.775 1.00 0.00 N ATOM 715 CA GLU A 104 -10.435 -0.064 0.350 1.00 0.00 C ATOM 716 C GLU A 104 -9.077 -0.406 0.957 1.00 0.00 C ATOM 717 O GLU A 104 -8.840 -1.537 1.381 1.00 0.00 O ATOM 718 CB GLU A 104 -10.343 -0.121 -1.175 1.00 0.00 C ATOM 719 CG GLU A 104 -11.686 0.284 -1.782 1.00 0.00 C ATOM 720 CD GLU A 104 -11.581 0.321 -3.302 1.00 0.00 C ATOM 721 OE1 GLU A 104 -10.963 -0.573 -3.856 1.00 0.00 O ATOM 722 OE2 GLU A 104 -12.122 1.243 -3.892 1.00 0.00 O ATOM 0 H GLU A 104 -10.865 1.968 0.037 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.170 -0.791 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.556 0.546 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.075 -1.128 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.459 -0.423 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.984 1.263 -1.406 1.00 0.00 H new ATOM 729 N LEU A 105 -8.190 0.578 0.996 1.00 0.00 N ATOM 730 CA LEU A 105 -6.864 0.376 1.554 1.00 0.00 C ATOM 731 C LEU A 105 -6.944 0.079 3.049 1.00 0.00 C ATOM 732 O LEU A 105 -6.114 -0.648 3.596 1.00 0.00 O ATOM 733 CB LEU A 105 -6.002 1.622 1.330 1.00 0.00 C ATOM 734 CG LEU A 105 -4.526 1.289 1.616 1.00 0.00 C ATOM 735 CD1 LEU A 105 -3.858 0.779 0.335 1.00 0.00 C ATOM 736 CD2 LEU A 105 -3.802 2.548 2.102 1.00 0.00 C ATOM 0 H LEU A 105 -8.365 1.521 0.649 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.411 -0.477 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.114 1.974 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.336 2.429 1.982 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.472 0.519 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.813 0.544 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.372 -0.118 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.913 1.548 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.757 2.312 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.857 3.319 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.275 2.910 3.015 1.00 0.00 H new ATOM 748 N ARG A 106 -7.943 0.657 3.706 1.00 0.00 N ATOM 749 CA ARG A 106 -8.123 0.453 5.139 1.00 0.00 C ATOM 750 C ARG A 106 -8.560 -0.981 5.437 1.00 0.00 C ATOM 751 O ARG A 106 -8.075 -1.600 6.383 1.00 0.00 O ATOM 752 CB ARG A 106 -9.168 1.432 5.677 1.00 0.00 C ATOM 753 CG ARG A 106 -9.281 1.277 7.195 1.00 0.00 C ATOM 754 CD ARG A 106 -10.241 2.333 7.746 1.00 0.00 C ATOM 755 NE ARG A 106 -11.582 2.123 7.213 1.00 0.00 N ATOM 756 CZ ARG A 106 -12.562 2.986 7.460 1.00 0.00 C ATOM 757 NH1 ARG A 106 -12.281 4.202 7.842 1.00 0.00 N ATOM 758 NH2 ARG A 106 -13.806 2.617 7.320 1.00 0.00 N ATOM 0 H ARG A 106 -8.637 1.267 3.273 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.167 0.632 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.887 2.455 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.134 1.243 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.641 0.278 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.300 1.386 7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.263 2.282 8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.888 3.329 7.480 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.771 1.300 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.309 4.490 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.034 4.864 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.026 1.667 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.559 3.279 7.509 1.00 0.00 H new ATOM 772 N HIS A 107 -9.479 -1.491 4.627 1.00 0.00 N ATOM 773 CA HIS A 107 -9.981 -2.847 4.819 1.00 0.00 C ATOM 774 C HIS A 107 -8.828 -3.844 4.809 1.00 0.00 C ATOM 775 O HIS A 107 -8.799 -4.779 5.611 1.00 0.00 O ATOM 776 CB HIS A 107 -10.979 -3.197 3.713 1.00 0.00 C ATOM 777 CG HIS A 107 -12.301 -2.535 3.998 1.00 0.00 C ATOM 778 ND1 HIS A 107 -13.053 -2.846 5.121 1.00 0.00 N ATOM 779 CD2 HIS A 107 -13.014 -1.583 3.322 1.00 0.00 C ATOM 780 CE1 HIS A 107 -14.165 -2.091 5.085 1.00 0.00 C ATOM 781 NE2 HIS A 107 -14.193 -1.302 4.008 1.00 0.00 N ATOM 0 H HIS A 107 -9.889 -0.992 3.838 1.00 0.00 H new ATOM 0 HA HIS A 107 -10.484 -2.900 5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -10.597 -2.868 2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.107 -4.278 3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.709 -1.119 2.396 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.941 -2.119 5.836 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.921 -0.637 3.745 1.00 0.00 H new ATOM 789 N VAL A 108 -7.885 -3.645 3.895 1.00 0.00 N ATOM 790 CA VAL A 108 -6.739 -4.539 3.790 1.00 0.00 C ATOM 791 C VAL A 108 -5.918 -4.505 5.074 1.00 0.00 C ATOM 792 O VAL A 108 -5.520 -5.546 5.593 1.00 0.00 O ATOM 793 CB VAL A 108 -5.862 -4.122 2.607 1.00 0.00 C ATOM 794 CG1 VAL A 108 -4.601 -4.989 2.573 1.00 0.00 C ATOM 795 CG2 VAL A 108 -6.642 -4.305 1.304 1.00 0.00 C ATOM 0 H VAL A 108 -7.891 -2.879 3.221 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.103 -5.554 3.632 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.579 -3.075 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.977 -4.691 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.044 -4.858 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.882 -6.036 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.018 -4.008 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.926 -5.352 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.539 -3.686 1.327 1.00 0.00 H new ATOM 805 N MET A 109 -5.670 -3.302 5.582 1.00 0.00 N ATOM 806 CA MET A 109 -4.895 -3.146 6.810 1.00 0.00 C ATOM 807 C MET A 109 -5.621 -3.804 7.982 1.00 0.00 C ATOM 808 O MET A 109 -4.997 -4.432 8.834 1.00 0.00 O ATOM 809 CB MET A 109 -4.677 -1.658 7.104 1.00 0.00 C ATOM 810 CG MET A 109 -3.521 -1.131 6.251 1.00 0.00 C ATOM 811 SD MET A 109 -3.772 -1.615 4.525 1.00 0.00 S ATOM 812 CE MET A 109 -2.111 -1.217 3.934 1.00 0.00 C ATOM 0 H MET A 109 -5.991 -2.427 5.167 1.00 0.00 H new ATOM 0 HA MET A 109 -3.928 -3.631 6.678 1.00 0.00 H new ATOM 0 HB2 MET A 109 -5.587 -1.097 6.889 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.457 -1.514 8.162 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.462 -0.045 6.330 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.575 -1.529 6.617 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.040 -1.442 2.870 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.912 -0.157 4.095 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.378 -1.811 4.481 1.00 0.00 H new ATOM 822 N THR A 110 -6.942 -3.652 8.013 1.00 0.00 N ATOM 823 CA THR A 110 -7.747 -4.241 9.077 1.00 0.00 C ATOM 824 C THR A 110 -7.650 -5.764 9.032 1.00 0.00 C ATOM 825 O THR A 110 -7.556 -6.423 10.066 1.00 0.00 O ATOM 826 CB THR A 110 -9.205 -3.807 8.937 1.00 0.00 C ATOM 827 OG1 THR A 110 -9.261 -2.399 8.768 1.00 0.00 O ATOM 828 CG2 THR A 110 -9.979 -4.207 10.193 1.00 0.00 C ATOM 0 H THR A 110 -7.475 -3.129 7.318 1.00 0.00 H new ATOM 0 HA THR A 110 -7.365 -3.892 10.036 1.00 0.00 H new ATOM 0 HB THR A 110 -9.651 -4.294 8.070 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.981 -2.167 7.858 1.00 0.00 H new ATOM 0 HG21 THR A 110 -11.019 -3.897 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.933 -5.289 10.320 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.537 -3.721 11.063 1.00 0.00 H new ATOM 836 N ASN A 111 -7.681 -6.317 7.822 1.00 0.00 N ATOM 837 CA ASN A 111 -7.601 -7.764 7.649 1.00 0.00 C ATOM 838 C ASN A 111 -6.277 -8.287 8.196 1.00 0.00 C ATOM 839 O ASN A 111 -6.219 -9.372 8.776 1.00 0.00 O ATOM 840 CB ASN A 111 -7.720 -8.120 6.166 1.00 0.00 C ATOM 841 CG ASN A 111 -9.142 -7.861 5.681 1.00 0.00 C ATOM 842 OD1 ASN A 111 -10.110 -7.747 6.551 1.00 0.00 O flip ATOM 843 ND2 ASN A 111 -9.379 -7.755 4.478 1.00 0.00 N flip ATOM 0 H ASN A 111 -7.760 -5.789 6.953 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.421 -8.227 8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.015 -7.528 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.460 -9.167 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.623 -7.844 3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.332 -7.578 4.160 1.00 0.00 H new ATOM 850 N LEU A 112 -5.215 -7.511 8.011 1.00 0.00 N ATOM 851 CA LEU A 112 -3.897 -7.909 8.493 1.00 0.00 C ATOM 852 C LEU A 112 -3.800 -7.715 10.001 1.00 0.00 C ATOM 853 O LEU A 112 -2.789 -8.052 10.618 1.00 0.00 O ATOM 854 CB LEU A 112 -2.817 -7.071 7.805 1.00 0.00 C ATOM 855 CG LEU A 112 -2.853 -7.332 6.297 1.00 0.00 C ATOM 856 CD1 LEU A 112 -1.875 -6.389 5.589 1.00 0.00 C ATOM 857 CD2 LEU A 112 -2.455 -8.790 6.014 1.00 0.00 C ATOM 0 H LEU A 112 -5.239 -6.609 7.535 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.748 -8.963 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.980 -6.012 8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.835 -7.324 8.205 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.862 -7.154 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.902 -6.576 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.160 -5.355 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.866 -6.564 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.482 -8.972 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.447 -8.971 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.154 -9.461 6.513 1.00 0.00 H new ATOM 869 N GLY A 113 -4.860 -7.172 10.593 1.00 0.00 N ATOM 870 CA GLY A 113 -4.885 -6.941 12.034 1.00 0.00 C ATOM 871 C GLY A 113 -4.245 -5.606 12.378 1.00 0.00 C ATOM 872 O GLY A 113 -3.699 -5.429 13.469 1.00 0.00 O ATOM 0 H GLY A 113 -5.707 -6.886 10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.914 -6.959 12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.356 -7.745 12.545 1.00 0.00 H new ATOM 876 N GLU A 114 -4.309 -4.661 11.440 1.00 0.00 N ATOM 877 CA GLU A 114 -3.724 -3.337 11.654 1.00 0.00 C ATOM 878 C GLU A 114 -4.772 -2.255 11.447 1.00 0.00 C ATOM 879 O GLU A 114 -5.625 -2.360 10.563 1.00 0.00 O ATOM 880 CB GLU A 114 -2.563 -3.118 10.685 1.00 0.00 C ATOM 881 CG GLU A 114 -1.419 -4.070 11.039 1.00 0.00 C ATOM 882 CD GLU A 114 -0.289 -3.925 10.025 1.00 0.00 C ATOM 883 OE1 GLU A 114 -0.416 -3.094 9.140 1.00 0.00 O ATOM 884 OE2 GLU A 114 0.687 -4.647 10.147 1.00 0.00 O ATOM 0 H GLU A 114 -4.756 -4.786 10.532 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.356 -3.281 12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.892 -3.292 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.220 -2.085 10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.050 -3.852 12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.780 -5.098 11.049 1.00 0.00 H new ATOM 891 N LYS A 115 -4.709 -1.209 12.268 1.00 0.00 N ATOM 892 CA LYS A 115 -5.663 -0.107 12.164 1.00 0.00 C ATOM 893 C LYS A 115 -4.935 1.227 12.174 1.00 0.00 C ATOM 894 O LYS A 115 -4.225 1.554 13.126 1.00 0.00 O ATOM 895 CB LYS A 115 -6.643 -0.158 13.335 1.00 0.00 C ATOM 896 CG LYS A 115 -7.819 0.782 13.057 1.00 0.00 C ATOM 897 CD LYS A 115 -8.725 0.848 14.290 1.00 0.00 C ATOM 898 CE LYS A 115 -9.481 -0.473 14.447 1.00 0.00 C ATOM 899 NZ LYS A 115 -10.607 -0.290 15.402 1.00 0.00 N ATOM 0 H LYS A 115 -4.014 -1.101 13.007 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.208 -0.207 11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.004 -1.177 13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.140 0.134 14.257 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.451 1.778 12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.385 0.428 12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.129 1.045 15.181 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.431 1.672 14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.860 -0.804 13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.807 -1.250 14.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.121 -1.188 15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.234 0.007 16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.255 0.439 15.040 1.00 0.00 H new ATOM 913 N LEU A 116 -5.115 2.005 11.108 1.00 0.00 N ATOM 914 CA LEU A 116 -4.468 3.312 10.999 1.00 0.00 C ATOM 915 C LEU A 116 -5.511 4.423 10.989 1.00 0.00 C ATOM 916 O LEU A 116 -6.677 4.191 10.671 1.00 0.00 O ATOM 917 CB LEU A 116 -3.639 3.377 9.715 1.00 0.00 C ATOM 918 CG LEU A 116 -2.690 2.177 9.659 1.00 0.00 C ATOM 919 CD1 LEU A 116 -1.869 2.237 8.368 1.00 0.00 C ATOM 920 CD2 LEU A 116 -1.745 2.210 10.866 1.00 0.00 C ATOM 0 H LEU A 116 -5.700 1.755 10.311 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.815 3.448 11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.296 3.376 8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.070 4.306 9.684 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.271 1.255 9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.193 1.383 8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.539 2.211 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.290 3.160 8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.071 1.355 10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.164 3.132 10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.328 2.167 11.786 1.00 0.00 H new ATOM 932 N THR A 117 -5.082 5.631 11.341 1.00 0.00 N ATOM 933 CA THR A 117 -5.989 6.773 11.373 1.00 0.00 C ATOM 934 C THR A 117 -6.289 7.256 9.956 1.00 0.00 C ATOM 935 O THR A 117 -5.615 6.868 9.004 1.00 0.00 O ATOM 936 CB THR A 117 -5.368 7.913 12.181 1.00 0.00 C ATOM 937 OG1 THR A 117 -4.799 7.390 13.374 1.00 0.00 O ATOM 938 CG2 THR A 117 -6.444 8.941 12.537 1.00 0.00 C ATOM 0 H THR A 117 -4.120 5.844 11.606 1.00 0.00 H new ATOM 0 HA THR A 117 -6.920 6.460 11.845 1.00 0.00 H new ATOM 0 HB THR A 117 -4.593 8.396 11.587 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.399 8.119 13.893 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.997 9.751 13.113 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.880 9.343 11.622 1.00 0.00 H new ATOM 0 HG23 THR A 117 -7.223 8.462 13.130 1.00 0.00 H new ATOM 946 N ASP A 118 -7.308 8.097 9.827 1.00 0.00 N ATOM 947 CA ASP A 118 -7.697 8.617 8.521 1.00 0.00 C ATOM 948 C ASP A 118 -6.573 9.454 7.920 1.00 0.00 C ATOM 949 O ASP A 118 -6.290 9.363 6.726 1.00 0.00 O ATOM 950 CB ASP A 118 -8.958 9.472 8.654 1.00 0.00 C ATOM 951 CG ASP A 118 -10.164 8.583 8.946 1.00 0.00 C ATOM 952 OD1 ASP A 118 -10.031 7.378 8.817 1.00 0.00 O ATOM 953 OD2 ASP A 118 -11.200 9.121 9.300 1.00 0.00 O ATOM 0 H ASP A 118 -7.877 8.432 10.605 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.898 7.773 7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.831 10.200 9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.124 10.034 7.735 1.00 0.00 H new ATOM 958 N GLU A 119 -5.933 10.269 8.755 1.00 0.00 N ATOM 959 CA GLU A 119 -4.840 11.114 8.297 1.00 0.00 C ATOM 960 C GLU A 119 -3.621 10.268 7.941 1.00 0.00 C ATOM 961 O GLU A 119 -2.899 10.571 6.993 1.00 0.00 O ATOM 962 CB GLU A 119 -4.472 12.121 9.387 1.00 0.00 C ATOM 963 CG GLU A 119 -3.931 11.380 10.610 1.00 0.00 C ATOM 964 CD GLU A 119 -3.710 12.358 11.757 1.00 0.00 C ATOM 965 OE1 GLU A 119 -4.692 12.840 12.295 1.00 0.00 O ATOM 966 OE2 GLU A 119 -2.561 12.609 12.082 1.00 0.00 O ATOM 0 H GLU A 119 -6.153 10.360 9.747 1.00 0.00 H new ATOM 0 HA GLU A 119 -5.164 11.649 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -3.724 12.820 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.347 12.709 9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.632 10.603 10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.994 10.883 10.359 1.00 0.00 H new ATOM 973 N GLU A 120 -3.398 9.209 8.714 1.00 0.00 N ATOM 974 CA GLU A 120 -2.262 8.328 8.474 1.00 0.00 C ATOM 975 C GLU A 120 -2.407 7.620 7.133 1.00 0.00 C ATOM 976 O GLU A 120 -1.437 7.477 6.389 1.00 0.00 O ATOM 977 CB GLU A 120 -2.158 7.290 9.593 1.00 0.00 C ATOM 978 CG GLU A 120 -1.672 7.966 10.877 1.00 0.00 C ATOM 979 CD GLU A 120 -1.641 6.955 12.019 1.00 0.00 C ATOM 980 OE1 GLU A 120 -2.029 5.820 11.791 1.00 0.00 O ATOM 981 OE2 GLU A 120 -1.222 7.328 13.102 1.00 0.00 O ATOM 0 H GLU A 120 -3.984 8.942 9.505 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.356 8.933 8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.128 6.823 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.468 6.497 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.677 8.384 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.331 8.796 11.133 1.00 0.00 H new ATOM 988 N VAL A 121 -3.624 7.181 6.829 1.00 0.00 N ATOM 989 CA VAL A 121 -3.882 6.491 5.572 1.00 0.00 C ATOM 990 C VAL A 121 -3.627 7.423 4.389 1.00 0.00 C ATOM 991 O VAL A 121 -2.993 7.035 3.412 1.00 0.00 O ATOM 992 CB VAL A 121 -5.332 5.998 5.536 1.00 0.00 C ATOM 993 CG1 VAL A 121 -5.658 5.460 4.141 1.00 0.00 C ATOM 994 CG2 VAL A 121 -5.513 4.880 6.566 1.00 0.00 C ATOM 0 H VAL A 121 -4.440 7.290 7.431 1.00 0.00 H new ATOM 0 HA VAL A 121 -3.207 5.638 5.499 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.002 6.825 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.690 5.110 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.528 6.254 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.989 4.633 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.544 4.527 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.842 4.055 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.282 5.261 7.561 1.00 0.00 H new ATOM 1004 N ASP A 122 -4.132 8.646 4.486 1.00 0.00 N ATOM 1005 CA ASP A 122 -3.958 9.619 3.414 1.00 0.00 C ATOM 1006 C ASP A 122 -2.477 9.851 3.140 1.00 0.00 C ATOM 1007 O ASP A 122 -2.039 9.840 1.990 1.00 0.00 O ATOM 1008 CB ASP A 122 -4.618 10.944 3.802 1.00 0.00 C ATOM 1009 CG ASP A 122 -4.677 11.870 2.591 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -5.368 11.533 1.645 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -4.028 12.904 2.630 1.00 0.00 O ATOM 0 H ASP A 122 -4.661 8.987 5.289 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.428 9.228 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.624 10.762 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.056 11.418 4.606 1.00 0.00 H new ATOM 1016 N GLU A 123 -1.709 10.057 4.203 1.00 0.00 N ATOM 1017 CA GLU A 123 -0.275 10.285 4.063 1.00 0.00 C ATOM 1018 C GLU A 123 0.425 9.030 3.557 1.00 0.00 C ATOM 1019 O GLU A 123 1.333 9.105 2.731 1.00 0.00 O ATOM 1020 CB GLU A 123 0.322 10.694 5.414 1.00 0.00 C ATOM 1021 CG GLU A 123 -0.239 12.054 5.834 1.00 0.00 C ATOM 1022 CD GLU A 123 0.247 13.138 4.878 1.00 0.00 C ATOM 1023 OE1 GLU A 123 1.230 12.897 4.194 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -0.366 14.190 4.844 1.00 0.00 O ATOM 0 H GLU A 123 -2.051 10.071 5.164 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.125 11.085 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.087 9.944 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.408 10.744 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.329 12.022 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.075 12.288 6.851 1.00 0.00 H new ATOM 1031 N MET A 124 -0.003 7.873 4.055 1.00 0.00 N ATOM 1032 CA MET A 124 0.598 6.613 3.648 1.00 0.00 C ATOM 1033 C MET A 124 0.463 6.418 2.143 1.00 0.00 C ATOM 1034 O MET A 124 1.412 6.003 1.476 1.00 0.00 O ATOM 1035 CB MET A 124 -0.082 5.453 4.382 1.00 0.00 C ATOM 1036 CG MET A 124 0.599 4.137 4.004 1.00 0.00 C ATOM 1037 SD MET A 124 2.314 4.147 4.593 1.00 0.00 S ATOM 1038 CE MET A 124 2.290 2.539 5.415 1.00 0.00 C ATOM 0 H MET A 124 -0.758 7.785 4.735 1.00 0.00 H new ATOM 0 HA MET A 124 1.657 6.634 3.904 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.024 5.608 5.459 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.140 5.415 4.122 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.059 3.298 4.442 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.576 4.002 2.923 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.267 2.341 5.856 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.532 2.542 6.199 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.056 1.762 4.687 1.00 0.00 H new ATOM 1048 N ILE A 125 -0.719 6.707 1.615 1.00 0.00 N ATOM 1049 CA ILE A 125 -0.962 6.555 0.190 1.00 0.00 C ATOM 1050 C ILE A 125 -0.065 7.497 -0.605 1.00 0.00 C ATOM 1051 O ILE A 125 0.499 7.113 -1.621 1.00 0.00 O ATOM 1052 CB ILE A 125 -2.430 6.861 -0.124 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -3.317 5.785 0.501 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -2.640 6.872 -1.642 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -4.786 6.206 0.400 1.00 0.00 C ATOM 0 H ILE A 125 -1.519 7.046 2.150 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.736 5.527 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.692 7.837 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.165 4.833 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.042 5.635 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.685 7.090 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.007 7.637 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.378 5.897 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.416 5.437 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.932 7.147 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.057 6.334 -0.648 1.00 0.00 H new ATOM 1067 N ARG A 126 0.051 8.734 -0.140 1.00 0.00 N ATOM 1068 CA ARG A 126 0.871 9.723 -0.830 1.00 0.00 C ATOM 1069 C ARG A 126 2.323 9.263 -0.908 1.00 0.00 C ATOM 1070 O ARG A 126 2.953 9.349 -1.962 1.00 0.00 O ATOM 1071 CB ARG A 126 0.804 11.060 -0.085 1.00 0.00 C ATOM 1072 CG ARG A 126 -0.584 11.679 -0.265 1.00 0.00 C ATOM 1073 CD ARG A 126 -0.691 12.953 0.575 1.00 0.00 C ATOM 1074 NE ARG A 126 0.272 13.945 0.114 1.00 0.00 N ATOM 1075 CZ ARG A 126 0.414 15.109 0.739 1.00 0.00 C ATOM 1076 NH1 ARG A 126 0.741 15.137 2.002 1.00 0.00 N ATOM 1077 NH2 ARG A 126 0.225 16.225 0.089 1.00 0.00 N ATOM 0 H ARG A 126 -0.408 9.075 0.705 1.00 0.00 H new ATOM 0 HA ARG A 126 0.485 9.842 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.011 10.908 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.568 11.738 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.757 11.909 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.353 10.967 0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.701 13.358 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.510 12.721 1.625 1.00 0.00 H new ATOM 0 HE ARG A 126 0.847 13.742 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.888 14.265 2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.850 16.031 2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.032 16.203 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.334 17.119 0.568 1.00 0.00 H new ATOM 1091 N GLU A 127 2.846 8.768 0.209 1.00 0.00 N ATOM 1092 CA GLU A 127 4.221 8.294 0.251 1.00 0.00 C ATOM 1093 C GLU A 127 4.381 7.028 -0.581 1.00 0.00 C ATOM 1094 O GLU A 127 5.430 6.803 -1.186 1.00 0.00 O ATOM 1095 CB GLU A 127 4.629 8.015 1.701 1.00 0.00 C ATOM 1096 CG GLU A 127 4.945 9.335 2.407 1.00 0.00 C ATOM 1097 CD GLU A 127 3.695 10.202 2.484 1.00 0.00 C ATOM 1098 OE1 GLU A 127 3.304 10.734 1.459 1.00 0.00 O ATOM 1099 OE2 GLU A 127 3.149 10.325 3.567 1.00 0.00 O ATOM 0 H GLU A 127 2.341 8.686 1.091 1.00 0.00 H new ATOM 0 HA GLU A 127 4.866 9.067 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.825 7.495 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.500 7.360 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.322 9.138 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.731 9.865 1.869 1.00 0.00 H new ATOM 1106 N ALA A 128 3.344 6.201 -0.596 1.00 0.00 N ATOM 1107 CA ALA A 128 3.389 4.952 -1.346 1.00 0.00 C ATOM 1108 C ALA A 128 3.048 5.191 -2.813 1.00 0.00 C ATOM 1109 O ALA A 128 3.535 4.484 -3.695 1.00 0.00 O ATOM 1110 CB ALA A 128 2.396 3.950 -0.747 1.00 0.00 C ATOM 0 H ALA A 128 2.468 6.370 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 128 4.400 4.549 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.434 3.018 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.658 3.755 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.388 4.363 -0.796 1.00 0.00 H new ATOM 1116 N ASP A 129 2.209 6.188 -3.065 1.00 0.00 N ATOM 1117 CA ASP A 129 1.804 6.508 -4.430 1.00 0.00 C ATOM 1118 C ASP A 129 2.986 7.046 -5.226 1.00 0.00 C ATOM 1119 O ASP A 129 3.527 8.107 -4.914 1.00 0.00 O ATOM 1120 CB ASP A 129 0.680 7.545 -4.412 1.00 0.00 C ATOM 1121 CG ASP A 129 0.207 7.822 -5.830 1.00 0.00 C ATOM 1122 OD1 ASP A 129 0.887 7.402 -6.750 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -0.824 8.452 -5.973 1.00 0.00 O ATOM 0 H ASP A 129 1.798 6.786 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 129 1.446 5.596 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.151 7.183 -3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 129 1.032 8.467 -3.950 1.00 0.00 H new ATOM 1128 N ILE A 130 3.386 6.305 -6.253 1.00 0.00 N ATOM 1129 CA ILE A 130 4.507 6.716 -7.088 1.00 0.00 C ATOM 1130 C ILE A 130 4.129 7.913 -7.951 1.00 0.00 C ATOM 1131 O ILE A 130 4.903 8.860 -8.094 1.00 0.00 O ATOM 1132 CB ILE A 130 4.945 5.556 -7.983 1.00 0.00 C ATOM 1133 CG1 ILE A 130 5.273 4.339 -7.114 1.00 0.00 C ATOM 1134 CG2 ILE A 130 6.190 5.962 -8.776 1.00 0.00 C ATOM 1135 CD1 ILE A 130 5.466 3.110 -8.006 1.00 0.00 C ATOM 0 H ILE A 130 2.954 5.422 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 130 5.331 7.003 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 130 4.139 5.307 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 130 6.177 4.526 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 130 4.468 4.161 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 130 6.501 5.134 -9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 130 5.961 6.830 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 130 6.996 6.211 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 130 5.700 2.244 -7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 130 4.550 2.919 -8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 130 6.286 3.290 -8.701 1.00 0.00 H new ATOM 1147 N ASP A 131 2.936 7.859 -8.536 1.00 0.00 N ATOM 1148 CA ASP A 131 2.466 8.938 -9.401 1.00 0.00 C ATOM 1149 C ASP A 131 1.718 9.986 -8.590 1.00 0.00 C ATOM 1150 O ASP A 131 1.163 10.934 -9.147 1.00 0.00 O ATOM 1151 CB ASP A 131 1.550 8.374 -10.488 1.00 0.00 C ATOM 1152 CG ASP A 131 0.427 7.564 -9.854 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -0.039 7.963 -8.803 1.00 0.00 O ATOM 1154 OD2 ASP A 131 0.042 6.563 -10.435 1.00 0.00 O ATOM 0 H ASP A 131 2.280 7.085 -8.428 1.00 0.00 H new ATOM 0 HA ASP A 131 3.331 9.409 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.133 9.187 -11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.124 7.745 -11.168 1.00 0.00 H new ATOM 1159 N GLY A 132 1.708 9.814 -7.273 1.00 0.00 N ATOM 1160 CA GLY A 132 1.036 10.765 -6.395 1.00 0.00 C ATOM 1161 C GLY A 132 -0.312 11.180 -6.970 1.00 0.00 C ATOM 1162 O GLY A 132 -0.700 12.346 -6.884 1.00 0.00 O ATOM 0 H GLY A 132 2.153 9.032 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.894 10.319 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 132 1.664 11.646 -6.258 1.00 0.00 H new ATOM 1166 N ASP A 133 -1.017 10.225 -7.567 1.00 0.00 N ATOM 1167 CA ASP A 133 -2.321 10.510 -8.159 1.00 0.00 C ATOM 1168 C ASP A 133 -3.421 10.366 -7.111 1.00 0.00 C ATOM 1169 O ASP A 133 -4.586 10.662 -7.373 1.00 0.00 O ATOM 1170 CB ASP A 133 -2.593 9.547 -9.316 1.00 0.00 C ATOM 1171 CG ASP A 133 -2.643 8.114 -8.802 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -2.367 7.921 -7.632 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -2.954 7.232 -9.586 1.00 0.00 O ATOM 0 H ASP A 133 -0.712 9.256 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.315 11.534 -8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -3.537 9.802 -9.798 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.813 9.644 -10.071 1.00 0.00 H new ATOM 1178 N GLY A 134 -3.041 9.916 -5.918 1.00 0.00 N ATOM 1179 CA GLY A 134 -4.002 9.745 -4.834 1.00 0.00 C ATOM 1180 C GLY A 134 -4.766 8.439 -4.983 1.00 0.00 C ATOM 1181 O GLY A 134 -5.534 8.049 -4.103 1.00 0.00 O ATOM 0 H GLY A 134 -2.082 9.665 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.481 9.759 -3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -4.702 10.581 -4.828 1.00 0.00 H new ATOM 1185 N GLN A 135 -4.551 7.757 -6.106 1.00 0.00 N ATOM 1186 CA GLN A 135 -5.228 6.487 -6.361 1.00 0.00 C ATOM 1187 C GLN A 135 -4.254 5.474 -6.945 1.00 0.00 C ATOM 1188 O GLN A 135 -3.302 5.831 -7.636 1.00 0.00 O ATOM 1189 CB GLN A 135 -6.391 6.699 -7.329 1.00 0.00 C ATOM 1190 CG GLN A 135 -7.463 7.559 -6.658 1.00 0.00 C ATOM 1191 CD GLN A 135 -8.647 7.746 -7.600 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -9.154 6.774 -8.161 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -9.122 8.944 -7.808 1.00 0.00 N ATOM 0 H GLN A 135 -3.919 8.059 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 135 -5.612 6.103 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -6.037 7.184 -8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -6.813 5.738 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.794 7.086 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -7.046 8.529 -6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -8.701 9.748 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.915 9.076 -8.436 1.00 0.00 H new ATOM 1202 N VAL A 136 -4.499 4.195 -6.673 1.00 0.00 N ATOM 1203 CA VAL A 136 -3.630 3.135 -7.181 1.00 0.00 C ATOM 1204 C VAL A 136 -4.282 2.440 -8.370 1.00 0.00 C ATOM 1205 O VAL A 136 -5.386 1.906 -8.264 1.00 0.00 O ATOM 1206 CB VAL A 136 -3.359 2.111 -6.076 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -2.121 1.287 -6.435 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -3.116 2.844 -4.755 1.00 0.00 C ATOM 0 H VAL A 136 -5.284 3.868 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 136 -2.689 3.580 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 136 -4.219 1.449 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.928 0.558 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.291 0.767 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -1.260 1.948 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.923 2.117 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.255 3.505 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.997 3.433 -4.498 1.00 0.00 H new ATOM 1218 N ASN A 137 -3.589 2.448 -9.506 1.00 0.00 N ATOM 1219 CA ASN A 137 -4.109 1.815 -10.714 1.00 0.00 C ATOM 1220 C ASN A 137 -3.623 0.373 -10.817 1.00 0.00 C ATOM 1221 O ASN A 137 -2.789 -0.067 -10.028 1.00 0.00 O ATOM 1222 CB ASN A 137 -3.655 2.596 -11.948 1.00 0.00 C ATOM 1223 CG ASN A 137 -4.359 3.949 -11.997 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -4.680 4.521 -10.955 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -4.618 4.498 -13.152 1.00 0.00 N ATOM 0 H ASN A 137 -2.673 2.883 -9.615 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.198 1.816 -10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.575 2.740 -11.921 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.878 2.028 -12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.087 5.403 -13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.351 4.022 -14.014 1.00 0.00 H new ATOM 1232 N TYR A 138 -4.157 -0.358 -11.788 1.00 0.00 N ATOM 1233 CA TYR A 138 -3.775 -1.753 -11.977 1.00 0.00 C ATOM 1234 C TYR A 138 -2.278 -1.865 -12.243 1.00 0.00 C ATOM 1235 O TYR A 138 -1.590 -2.681 -11.631 1.00 0.00 O ATOM 1236 CB TYR A 138 -4.546 -2.348 -13.157 1.00 0.00 C ATOM 1237 CG TYR A 138 -4.141 -3.790 -13.350 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -4.638 -4.776 -12.487 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -3.269 -4.143 -14.386 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -4.263 -6.113 -12.663 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -2.894 -5.480 -14.562 1.00 0.00 C ATOM 1242 CZ TYR A 138 -3.391 -6.465 -13.700 1.00 0.00 C ATOM 1243 OH TYR A 138 -3.021 -7.783 -13.874 1.00 0.00 O ATOM 0 H TYR A 138 -4.850 -0.012 -12.452 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.016 -2.303 -11.068 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.619 -2.282 -12.974 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.341 -1.778 -14.063 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -5.310 -4.504 -11.686 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -2.885 -3.383 -15.050 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.646 -6.873 -11.999 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.222 -5.752 -15.362 1.00 0.00 H new ATOM 0 HH TYR A 138 -2.413 -7.854 -14.639 1.00 0.00 H new ATOM 1253 N GLU A 139 -1.779 -1.040 -13.156 1.00 0.00 N ATOM 1254 CA GLU A 139 -0.358 -1.059 -13.491 1.00 0.00 C ATOM 1255 C GLU A 139 0.485 -0.656 -12.286 1.00 0.00 C ATOM 1256 O GLU A 139 1.512 -1.273 -12.003 1.00 0.00 O ATOM 1257 CB GLU A 139 -0.085 -0.096 -14.650 1.00 0.00 C ATOM 1258 CG GLU A 139 -0.820 -0.580 -15.903 1.00 0.00 C ATOM 1259 CD GLU A 139 -0.247 -1.916 -16.363 1.00 0.00 C ATOM 1260 OE1 GLU A 139 0.866 -2.227 -15.969 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -0.930 -2.611 -17.096 1.00 0.00 O ATOM 0 H GLU A 139 -2.330 -0.355 -13.674 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.087 -2.073 -13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.416 0.909 -14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.986 -0.038 -14.844 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.884 -0.685 -15.692 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.724 0.159 -16.699 1.00 0.00 H new ATOM 1268 N GLU A 140 0.045 0.379 -11.574 1.00 0.00 N ATOM 1269 CA GLU A 140 0.765 0.844 -10.403 1.00 0.00 C ATOM 1270 C GLU A 140 0.675 -0.178 -9.273 1.00 0.00 C ATOM 1271 O GLU A 140 1.641 -0.397 -8.544 1.00 0.00 O ATOM 1272 CB GLU A 140 0.180 2.185 -9.932 1.00 0.00 C ATOM 1273 CG GLU A 140 1.257 2.987 -9.205 1.00 0.00 C ATOM 1274 CD GLU A 140 0.625 4.131 -8.423 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -0.371 3.887 -7.762 1.00 0.00 O ATOM 1276 OE2 GLU A 140 1.143 5.232 -8.499 1.00 0.00 O ATOM 0 H GLU A 140 -0.802 0.905 -11.790 1.00 0.00 H new ATOM 0 HA GLU A 140 1.813 0.976 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.194 2.750 -10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.667 2.011 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 140 1.810 2.336 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 140 1.974 3.382 -9.925 1.00 0.00 H new ATOM 1283 N PHE A 141 -0.497 -0.793 -9.131 1.00 0.00 N ATOM 1284 CA PHE A 141 -0.704 -1.783 -8.081 1.00 0.00 C ATOM 1285 C PHE A 141 0.257 -2.953 -8.263 1.00 0.00 C ATOM 1286 O PHE A 141 0.906 -3.388 -7.312 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.149 -2.285 -8.117 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.349 -3.318 -7.032 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.218 -2.952 -5.687 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -2.665 -4.639 -7.371 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.404 -3.909 -4.681 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -2.851 -5.594 -6.367 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.721 -5.229 -5.022 1.00 0.00 C ATOM 0 H PHE A 141 -1.309 -0.625 -9.724 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.511 -1.317 -7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.838 -1.453 -7.974 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -2.371 -2.718 -9.092 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.974 -1.933 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.765 -4.921 -8.409 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.303 -3.628 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.095 -6.613 -6.629 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.865 -5.967 -4.246 1.00 0.00 H new ATOM 1303 N VAL A 142 0.331 -3.468 -9.484 1.00 0.00 N ATOM 1304 CA VAL A 142 1.203 -4.601 -9.769 1.00 0.00 C ATOM 1305 C VAL A 142 2.641 -4.262 -9.400 1.00 0.00 C ATOM 1306 O VAL A 142 3.336 -5.070 -8.782 1.00 0.00 O ATOM 1307 CB VAL A 142 1.128 -4.951 -11.259 1.00 0.00 C ATOM 1308 CG1 VAL A 142 2.177 -6.016 -11.592 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -0.268 -5.490 -11.588 1.00 0.00 C ATOM 0 H VAL A 142 -0.197 -3.123 -10.286 1.00 0.00 H new ATOM 0 HA VAL A 142 0.874 -5.455 -9.177 1.00 0.00 H new ATOM 0 HB VAL A 142 1.322 -4.056 -11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 142 2.121 -6.263 -12.652 1.00 0.00 H new ATOM 0 HG12 VAL A 142 3.171 -5.633 -11.361 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.987 -6.912 -11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -0.321 -5.739 -12.648 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.462 -6.384 -10.995 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.015 -4.731 -11.355 1.00 0.00 H new ATOM 1319 N GLN A 143 3.081 -3.066 -9.774 1.00 0.00 N ATOM 1320 CA GLN A 143 4.440 -2.634 -9.463 1.00 0.00 C ATOM 1321 C GLN A 143 4.628 -2.497 -7.955 1.00 0.00 C ATOM 1322 O GLN A 143 5.616 -2.970 -7.396 1.00 0.00 O ATOM 1323 CB GLN A 143 4.722 -1.291 -10.139 1.00 0.00 C ATOM 1324 CG GLN A 143 4.778 -1.485 -11.655 1.00 0.00 C ATOM 1325 CD GLN A 143 4.934 -0.136 -12.347 1.00 0.00 C ATOM 1326 OE1 GLN A 143 5.026 0.897 -11.683 1.00 0.00 O ATOM 1327 NE2 GLN A 143 4.970 -0.082 -13.651 1.00 0.00 N ATOM 0 H GLN A 143 2.524 -2.384 -10.288 1.00 0.00 H new ATOM 0 HA GLN A 143 5.137 -3.385 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.944 -0.572 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.666 -0.882 -9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.613 -2.136 -11.916 1.00 0.00 H new ATOM 0 HG3 GLN A 143 3.869 -1.978 -12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.894 -0.939 -14.199 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.075 0.817 -14.122 1.00 0.00 H new ATOM 1336 N MET A 144 3.671 -1.849 -7.299 1.00 0.00 N ATOM 1337 CA MET A 144 3.745 -1.654 -5.858 1.00 0.00 C ATOM 1338 C MET A 144 3.830 -3.002 -5.147 1.00 0.00 C ATOM 1339 O MET A 144 4.464 -3.123 -4.099 1.00 0.00 O ATOM 1340 CB MET A 144 2.505 -0.901 -5.368 1.00 0.00 C ATOM 1341 CG MET A 144 2.665 -0.555 -3.885 1.00 0.00 C ATOM 1342 SD MET A 144 1.140 0.201 -3.271 1.00 0.00 S ATOM 1343 CE MET A 144 1.243 1.736 -4.223 1.00 0.00 C ATOM 0 H MET A 144 2.841 -1.453 -7.740 1.00 0.00 H new ATOM 0 HA MET A 144 4.638 -1.071 -5.632 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.366 0.009 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.615 -1.512 -5.515 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.893 -1.455 -3.314 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.503 0.129 -3.749 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.673 2.516 -3.718 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.285 2.044 -4.306 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.832 1.574 -5.220 1.00 0.00 H new ATOM 1353 N MET A 145 3.181 -4.012 -5.719 1.00 0.00 N ATOM 1354 CA MET A 145 3.192 -5.348 -5.132 1.00 0.00 C ATOM 1355 C MET A 145 4.470 -6.088 -5.497 1.00 0.00 C ATOM 1356 O MET A 145 4.978 -6.897 -4.719 1.00 0.00 O ATOM 1357 CB MET A 145 1.979 -6.140 -5.618 1.00 0.00 C ATOM 1358 CG MET A 145 0.704 -5.525 -5.034 1.00 0.00 C ATOM 1359 SD MET A 145 0.665 -5.781 -3.241 1.00 0.00 S ATOM 1360 CE MET A 145 -0.064 -7.436 -3.264 1.00 0.00 C ATOM 0 H MET A 145 2.644 -3.932 -6.583 1.00 0.00 H new ATOM 0 HA MET A 145 3.148 -5.247 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.936 -6.129 -6.707 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.066 -7.183 -5.313 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.667 -4.459 -5.259 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.174 -5.979 -5.495 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.263 -7.760 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 145 -0.998 -7.415 -3.826 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.628 -8.132 -3.737 1.00 0.00 H new ATOM 1370 N THR A 146 4.986 -5.815 -6.692 1.00 0.00 N ATOM 1371 CA THR A 146 6.204 -6.467 -7.156 1.00 0.00 C ATOM 1372 C THR A 146 7.404 -5.540 -6.992 1.00 0.00 C ATOM 1373 O THR A 146 8.493 -5.821 -7.493 1.00 0.00 O ATOM 1374 CB THR A 146 6.060 -6.863 -8.628 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.953 -7.741 -8.777 1.00 0.00 O ATOM 1376 CG2 THR A 146 7.338 -7.568 -9.102 1.00 0.00 C ATOM 0 H THR A 146 4.582 -5.151 -7.352 1.00 0.00 H new ATOM 0 HA THR A 146 6.365 -7.362 -6.555 1.00 0.00 H new ATOM 0 HB THR A 146 5.898 -5.967 -9.227 1.00 0.00 H new ATOM 0 HG1 THR A 146 4.127 -7.218 -8.839 1.00 0.00 H new ATOM 0 HG21 THR A 146 7.232 -7.848 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 146 8.188 -6.894 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 146 7.504 -8.463 -8.502 1.00 0.00 H new ATOM 1384 N ALA A 147 7.197 -4.435 -6.289 1.00 0.00 N ATOM 1385 CA ALA A 147 8.269 -3.470 -6.070 1.00 0.00 C ATOM 1386 C ALA A 147 9.467 -4.141 -5.407 1.00 0.00 C ATOM 1387 O ALA A 147 9.396 -4.562 -4.253 1.00 0.00 O ATOM 1388 CB ALA A 147 7.767 -2.328 -5.181 1.00 0.00 C ATOM 0 H ALA A 147 6.305 -4.184 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 147 8.578 -3.072 -7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 147 8.572 -1.611 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 147 6.928 -1.830 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 147 7.443 -2.730 -4.221 1.00 0.00 H new ATOM 1394 N LYS A 148 10.566 -4.238 -6.148 1.00 0.00 N ATOM 1395 CA LYS A 148 11.776 -4.862 -5.626 1.00 0.00 C ATOM 1396 C LYS A 148 11.492 -6.296 -5.188 1.00 0.00 C ATOM 1397 O LYS A 148 12.445 -7.036 -4.999 1.00 0.00 O ATOM 1398 CB LYS A 148 12.305 -4.058 -4.435 1.00 0.00 C ATOM 1399 CG LYS A 148 13.768 -4.426 -4.177 1.00 0.00 C ATOM 1400 CD LYS A 148 14.327 -3.548 -3.058 1.00 0.00 C ATOM 1401 CE LYS A 148 15.803 -3.882 -2.836 1.00 0.00 C ATOM 1402 NZ LYS A 148 16.371 -2.962 -1.812 1.00 0.00 N ATOM 1403 OXT LYS A 148 10.329 -6.632 -5.044 1.00 0.00 O ATOM 0 H LYS A 148 10.644 -3.895 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 148 12.526 -4.877 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 148 12.218 -2.990 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 148 11.706 -4.265 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 148 13.846 -5.478 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 148 14.354 -4.291 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 148 14.217 -2.495 -3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 148 13.764 -3.710 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 148 15.908 -4.917 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 148 16.353 -3.786 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 17.375 -3.188 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 16.284 -1.979 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 15.852 -3.075 -0.918 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -12.192 -0.132 -5.981 1.00 0.00 CA HETATM 1419 CA CA A 150 -0.803 6.230 -7.284 1.00 0.00 CA