USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 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 -126:sc= -1.59! USER MOD Set 1.2: A 145 MET CE :methyl -131:sc= -2.19 (180deg=-1.27) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.14) USER MOD Single : A 61 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-2.4!) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00676 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc=-0.00106 X(o=-0.0011,f=-0.25) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.352 K(o=-0.35,f=-3.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -153:sc= -0.578 (180deg=-0.933) USER MOD Single : A 77 LYS NZ :NH3+ 138:sc= -0.382 (180deg=-1.48) USER MOD Single : A 81 SER OG : rot -170:sc= -0.913 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= -0.713! USER MOD Single : A 107 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.036) USER MOD Single : A 109 MET CE :methyl 158:sc= -2.27 (180deg=-2.8) USER MOD Single : A 110 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 111 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00422 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.952 F(o=-1.8,f=-0.95) USER MOD Single : A 137 ASN : amide:sc= 0.262 X(o=0.26,f=0.0092) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.87) USER MOD Single : A 144 MET CE :methyl -168:sc= -0.291 (180deg=-0.763) USER MOD Single : A 146 THR OG1 : rot -8:sc= 0.826 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 11.559 2.510 21.162 1.00 0.00 N ATOM 2 CA GLY A 56 11.233 3.277 22.399 1.00 0.00 C ATOM 3 C GLY A 56 10.866 4.709 22.027 1.00 0.00 C ATOM 4 O GLY A 56 9.753 4.977 21.575 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.405 2.803 22.926 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.086 3.273 23.077 1.00 0.00 H new ATOM 8 N SER A 57 11.809 5.626 22.221 1.00 0.00 N ATOM 9 CA SER A 57 11.573 7.028 21.901 1.00 0.00 C ATOM 10 C SER A 57 11.443 7.218 20.394 1.00 0.00 C ATOM 11 O SER A 57 12.076 6.509 19.612 1.00 0.00 O ATOM 12 CB SER A 57 12.725 7.884 22.428 1.00 0.00 C ATOM 13 OG SER A 57 12.775 7.784 23.845 1.00 0.00 O ATOM 0 H SER A 57 12.736 5.425 22.595 1.00 0.00 H new ATOM 0 HA SER A 57 10.643 7.339 22.376 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.668 7.551 21.995 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.587 8.923 22.130 1.00 0.00 H new ATOM 0 HG SER A 57 13.514 8.330 24.186 1.00 0.00 H new ATOM 19 N HIS A 58 10.619 8.181 19.992 1.00 0.00 N ATOM 20 CA HIS A 58 10.413 8.456 18.575 1.00 0.00 C ATOM 21 C HIS A 58 11.700 8.966 17.937 1.00 0.00 C ATOM 22 O HIS A 58 12.028 8.606 16.806 1.00 0.00 O ATOM 23 CB HIS A 58 9.307 9.497 18.400 1.00 0.00 C ATOM 24 CG HIS A 58 7.984 8.895 18.789 1.00 0.00 C ATOM 25 ND1 HIS A 58 7.220 8.154 17.902 1.00 0.00 N ATOM 26 CD2 HIS A 58 7.280 8.914 19.967 1.00 0.00 C ATOM 27 CE1 HIS A 58 6.110 7.761 18.553 1.00 0.00 C ATOM 28 NE2 HIS A 58 6.095 8.198 19.816 1.00 0.00 N ATOM 0 H HIS A 58 10.087 8.780 20.623 1.00 0.00 H new ATOM 0 HA HIS A 58 10.119 7.529 18.083 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.516 10.372 19.016 1.00 0.00 H new ATOM 0 HB3 HIS A 58 9.273 9.837 17.365 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.597 9.409 20.873 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.326 7.165 18.109 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.372 8.041 20.518 1.00 0.00 H new ATOM 36 N HIS A 59 12.426 9.806 18.668 1.00 0.00 N ATOM 37 CA HIS A 59 13.679 10.361 18.163 1.00 0.00 C ATOM 38 C HIS A 59 14.834 9.401 18.429 1.00 0.00 C ATOM 39 O HIS A 59 15.772 9.729 19.155 1.00 0.00 O ATOM 40 CB HIS A 59 13.964 11.703 18.837 1.00 0.00 C ATOM 41 CG HIS A 59 12.874 12.680 18.489 1.00 0.00 C ATOM 42 ND1 HIS A 59 12.761 13.242 17.226 1.00 0.00 N ATOM 43 CD2 HIS A 59 11.842 13.204 19.226 1.00 0.00 C ATOM 44 CE1 HIS A 59 11.696 14.064 17.243 1.00 0.00 C ATOM 45 NE2 HIS A 59 11.099 14.078 18.438 1.00 0.00 N ATOM 0 H HIS A 59 12.171 10.116 19.606 1.00 0.00 H new ATOM 0 HA HIS A 59 13.583 10.508 17.087 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.021 11.575 19.918 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.930 12.088 18.511 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.637 12.973 20.261 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.364 14.642 16.394 1.00 0.00 H new ATOM 0 HE2 HIS A 59 10.276 14.614 18.714 1.00 0.00 H new ATOM 53 N HIS A 60 14.759 8.213 17.835 1.00 0.00 N ATOM 54 CA HIS A 60 15.805 7.214 18.014 1.00 0.00 C ATOM 55 C HIS A 60 17.150 7.754 17.539 1.00 0.00 C ATOM 56 O HIS A 60 17.910 8.327 18.319 1.00 0.00 O ATOM 57 CB HIS A 60 15.455 5.946 17.232 1.00 0.00 C ATOM 58 CG HIS A 60 16.563 4.940 17.386 1.00 0.00 C ATOM 59 ND1 HIS A 60 16.804 4.284 18.583 1.00 0.00 N ATOM 60 CD2 HIS A 60 17.503 4.466 16.504 1.00 0.00 C ATOM 61 CE1 HIS A 60 17.851 3.460 18.390 1.00 0.00 C ATOM 62 NE2 HIS A 60 18.314 3.533 17.140 1.00 0.00 N ATOM 0 H HIS A 60 13.991 7.921 17.231 1.00 0.00 H new ATOM 0 HA HIS A 60 15.877 6.977 19.075 1.00 0.00 H new ATOM 0 HB2 HIS A 60 14.517 5.528 17.597 1.00 0.00 H new ATOM 0 HB3 HIS A 60 15.309 6.184 16.178 1.00 0.00 H new ATOM 0 HD2 HIS A 60 17.598 4.772 15.473 1.00 0.00 H new ATOM 0 HE1 HIS A 60 18.266 2.818 19.153 1.00 0.00 H new ATOM 0 HE2 HIS A 60 19.095 3.015 16.738 1.00 0.00 H new ATOM 70 N HIS A 61 17.437 7.566 16.255 1.00 0.00 N ATOM 71 CA HIS A 61 18.693 8.039 15.688 1.00 0.00 C ATOM 72 C HIS A 61 18.630 8.024 14.167 1.00 0.00 C ATOM 73 O HIS A 61 18.078 7.100 13.569 1.00 0.00 O ATOM 74 CB HIS A 61 19.847 7.155 16.162 1.00 0.00 C ATOM 75 CG HIS A 61 21.135 7.647 15.561 1.00 0.00 C ATOM 76 ND1 HIS A 61 21.748 8.816 15.985 1.00 0.00 N ATOM 77 CD2 HIS A 61 21.940 7.140 14.572 1.00 0.00 C ATOM 78 CE1 HIS A 61 22.870 8.973 15.258 1.00 0.00 C ATOM 79 NE2 HIS A 61 23.035 7.979 14.382 1.00 0.00 N ATOM 0 H HIS A 61 16.822 7.093 15.593 1.00 0.00 H new ATOM 0 HA HIS A 61 18.860 9.062 16.024 1.00 0.00 H new ATOM 0 HB2 HIS A 61 19.910 7.174 17.250 1.00 0.00 H new ATOM 0 HB3 HIS A 61 19.669 6.120 15.871 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.753 6.228 14.024 1.00 0.00 H new ATOM 0 HE1 HIS A 61 23.553 9.802 15.370 1.00 0.00 H new ATOM 0 HE2 HIS A 61 23.799 7.860 13.717 1.00 0.00 H new ATOM 87 N HIS A 62 19.199 9.051 13.541 1.00 0.00 N ATOM 88 CA HIS A 62 19.205 9.147 12.082 1.00 0.00 C ATOM 89 C HIS A 62 20.568 8.752 11.525 1.00 0.00 C ATOM 90 O HIS A 62 21.416 8.228 12.247 1.00 0.00 O ATOM 91 CB HIS A 62 18.870 10.575 11.653 1.00 0.00 C ATOM 92 CG HIS A 62 17.486 10.930 12.124 1.00 0.00 C ATOM 93 ND1 HIS A 62 16.346 10.444 11.502 1.00 0.00 N ATOM 94 CD2 HIS A 62 17.043 11.721 13.155 1.00 0.00 C ATOM 95 CE1 HIS A 62 15.283 10.943 12.158 1.00 0.00 C ATOM 96 NE2 HIS A 62 15.650 11.728 13.173 1.00 0.00 N ATOM 0 H HIS A 62 19.660 9.826 14.018 1.00 0.00 H new ATOM 0 HA HIS A 62 18.453 8.464 11.688 1.00 0.00 H new ATOM 0 HB2 HIS A 62 19.597 11.271 12.071 1.00 0.00 H new ATOM 0 HB3 HIS A 62 18.930 10.664 10.568 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.677 12.256 13.846 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.257 10.734 11.895 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.041 12.226 13.822 1.00 0.00 H new ATOM 104 N HIS A 63 20.769 9.001 10.237 1.00 0.00 N ATOM 105 CA HIS A 63 22.032 8.666 9.590 1.00 0.00 C ATOM 106 C HIS A 63 22.360 7.189 9.793 1.00 0.00 C ATOM 107 O HIS A 63 21.638 6.472 10.487 1.00 0.00 O ATOM 108 CB HIS A 63 23.159 9.523 10.170 1.00 0.00 C ATOM 109 CG HIS A 63 22.870 10.975 9.904 1.00 0.00 C ATOM 110 ND1 HIS A 63 22.197 11.772 10.817 1.00 0.00 N ATOM 111 CD2 HIS A 63 23.155 11.788 8.836 1.00 0.00 C ATOM 112 CE1 HIS A 63 22.100 13.004 10.285 1.00 0.00 C ATOM 113 NE2 HIS A 63 22.669 13.068 9.078 1.00 0.00 N ATOM 0 H HIS A 63 20.078 9.431 9.622 1.00 0.00 H new ATOM 0 HA HIS A 63 21.937 8.864 8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.248 9.349 11.242 1.00 0.00 H new ATOM 0 HB3 HIS A 63 24.112 9.242 9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 63 23.678 11.480 7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.621 13.839 10.774 1.00 0.00 H new ATOM 0 HE2 HIS A 63 22.733 13.881 8.466 1.00 0.00 H new ATOM 121 N GLY A 64 23.453 6.742 9.185 1.00 0.00 N ATOM 122 CA GLY A 64 23.869 5.349 9.305 1.00 0.00 C ATOM 123 C GLY A 64 23.080 4.460 8.349 1.00 0.00 C ATOM 124 O GLY A 64 22.085 4.891 7.767 1.00 0.00 O ATOM 0 H GLY A 64 24.064 7.320 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.934 5.264 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.721 5.008 10.330 1.00 0.00 H new ATOM 128 N SER A 65 23.532 3.221 8.193 1.00 0.00 N ATOM 129 CA SER A 65 22.860 2.280 7.303 1.00 0.00 C ATOM 130 C SER A 65 21.510 1.867 7.883 1.00 0.00 C ATOM 131 O SER A 65 21.286 0.695 8.189 1.00 0.00 O ATOM 132 CB SER A 65 23.730 1.040 7.102 1.00 0.00 C ATOM 133 OG SER A 65 23.092 0.161 6.185 1.00 0.00 O ATOM 0 H SER A 65 24.354 2.846 8.667 1.00 0.00 H new ATOM 0 HA SER A 65 22.697 2.769 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 65 24.711 1.328 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 65 23.890 0.536 8.055 1.00 0.00 H new ATOM 0 HG SER A 65 23.649 -0.635 6.053 1.00 0.00 H new ATOM 139 N SER A 66 20.614 2.837 8.032 1.00 0.00 N ATOM 140 CA SER A 66 19.290 2.565 8.577 1.00 0.00 C ATOM 141 C SER A 66 18.499 1.663 7.634 1.00 0.00 C ATOM 142 O SER A 66 17.683 0.852 8.073 1.00 0.00 O ATOM 143 CB SER A 66 18.530 3.873 8.789 1.00 0.00 C ATOM 144 OG SER A 66 18.402 4.550 7.544 1.00 0.00 O ATOM 0 H SER A 66 20.779 3.813 7.785 1.00 0.00 H new ATOM 0 HA SER A 66 19.411 2.058 9.534 1.00 0.00 H new ATOM 0 HB2 SER A 66 17.545 3.670 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.059 4.502 9.505 1.00 0.00 H new ATOM 0 HG SER A 66 17.913 5.389 7.677 1.00 0.00 H new ATOM 150 N GLY A 67 18.743 1.814 6.335 1.00 0.00 N ATOM 151 CA GLY A 67 18.044 1.008 5.339 1.00 0.00 C ATOM 152 C GLY A 67 16.601 1.475 5.178 1.00 0.00 C ATOM 153 O GLY A 67 15.692 0.662 5.008 1.00 0.00 O ATOM 0 H GLY A 67 19.413 2.480 5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.561 1.076 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.060 -0.040 5.637 1.00 0.00 H new ATOM 157 N GLU A 68 16.398 2.786 5.237 1.00 0.00 N ATOM 158 CA GLU A 68 15.060 3.346 5.104 1.00 0.00 C ATOM 159 C GLU A 68 14.448 2.952 3.764 1.00 0.00 C ATOM 160 O GLU A 68 13.240 2.742 3.661 1.00 0.00 O ATOM 161 CB GLU A 68 15.117 4.872 5.216 1.00 0.00 C ATOM 162 CG GLU A 68 13.696 5.440 5.277 1.00 0.00 C ATOM 163 CD GLU A 68 13.030 5.030 6.587 1.00 0.00 C ATOM 164 OE1 GLU A 68 13.748 4.692 7.513 1.00 0.00 O ATOM 165 OE2 GLU A 68 11.811 5.057 6.642 1.00 0.00 O ATOM 0 H GLU A 68 17.137 3.476 5.375 1.00 0.00 H new ATOM 0 HA GLU A 68 14.438 2.949 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.672 5.160 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.649 5.289 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.725 6.527 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.112 5.075 4.432 1.00 0.00 H new ATOM 172 N ASN A 69 15.289 2.859 2.741 1.00 0.00 N ATOM 173 CA ASN A 69 14.812 2.494 1.411 1.00 0.00 C ATOM 174 C ASN A 69 14.196 1.100 1.428 1.00 0.00 C ATOM 175 O ASN A 69 13.128 0.874 0.862 1.00 0.00 O ATOM 176 CB ASN A 69 15.976 2.526 0.417 1.00 0.00 C ATOM 177 CG ASN A 69 16.421 3.967 0.181 1.00 0.00 C ATOM 178 OD1 ASN A 69 15.596 4.829 -0.122 1.00 0.00 O ATOM 179 ND2 ASN A 69 17.682 4.279 0.301 1.00 0.00 N ATOM 0 H ASN A 69 16.293 3.029 2.804 1.00 0.00 H new ATOM 0 HA ASN A 69 14.050 3.212 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.809 1.938 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 69 15.672 2.071 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 69 17.987 5.240 0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 69 18.363 3.562 0.552 1.00 0.00 H new ATOM 186 N LEU A 70 14.872 0.172 2.089 1.00 0.00 N ATOM 187 CA LEU A 70 14.378 -1.198 2.185 1.00 0.00 C ATOM 188 C LEU A 70 13.083 -1.251 2.981 1.00 0.00 C ATOM 189 O LEU A 70 12.159 -1.987 2.635 1.00 0.00 O ATOM 190 CB LEU A 70 15.439 -2.090 2.846 1.00 0.00 C ATOM 191 CG LEU A 70 16.511 -2.470 1.810 1.00 0.00 C ATOM 192 CD1 LEU A 70 15.917 -3.423 0.750 1.00 0.00 C ATOM 193 CD2 LEU A 70 17.030 -1.194 1.126 1.00 0.00 C ATOM 0 H LEU A 70 15.759 0.339 2.565 1.00 0.00 H new ATOM 0 HA LEU A 70 14.176 -1.564 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.898 -1.566 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.973 -2.989 3.249 1.00 0.00 H new ATOM 0 HG LEU A 70 17.333 -2.977 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.686 -3.684 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.556 -4.329 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.089 -2.930 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.790 -1.459 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.204 -0.687 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.464 -0.531 1.874 1.00 0.00 H new ATOM 205 N TYR A 71 13.033 -0.475 4.049 1.00 0.00 N ATOM 206 CA TYR A 71 11.852 -0.435 4.902 1.00 0.00 C ATOM 207 C TYR A 71 10.652 0.092 4.120 1.00 0.00 C ATOM 208 O TYR A 71 9.528 -0.366 4.305 1.00 0.00 O ATOM 209 CB TYR A 71 12.107 0.453 6.118 1.00 0.00 C ATOM 210 CG TYR A 71 10.886 0.450 7.009 1.00 0.00 C ATOM 211 CD1 TYR A 71 10.675 -0.607 7.903 1.00 0.00 C ATOM 212 CD2 TYR A 71 9.966 1.501 6.939 1.00 0.00 C ATOM 213 CE1 TYR A 71 9.546 -0.611 8.729 1.00 0.00 C ATOM 214 CE2 TYR A 71 8.835 1.497 7.765 1.00 0.00 C ATOM 215 CZ TYR A 71 8.625 0.442 8.660 1.00 0.00 C ATOM 216 OH TYR A 71 7.510 0.438 9.474 1.00 0.00 O ATOM 0 H TYR A 71 13.793 0.136 4.348 1.00 0.00 H new ATOM 0 HA TYR A 71 11.637 -1.448 5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 71 12.974 0.091 6.670 1.00 0.00 H new ATOM 0 HB3 TYR A 71 12.334 1.470 5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.384 -1.420 7.955 1.00 0.00 H new ATOM 0 HD2 TYR A 71 10.128 2.315 6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.385 -1.426 9.420 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.125 2.309 7.711 1.00 0.00 H new ATOM 0 HH TYR A 71 6.976 1.241 9.301 1.00 0.00 H new ATOM 226 N PHE A 72 10.900 1.062 3.251 1.00 0.00 N ATOM 227 CA PHE A 72 9.835 1.650 2.449 1.00 0.00 C ATOM 228 C PHE A 72 9.154 0.581 1.599 1.00 0.00 C ATOM 229 O PHE A 72 7.931 0.559 1.474 1.00 0.00 O ATOM 230 CB PHE A 72 10.402 2.742 1.543 1.00 0.00 C ATOM 231 CG PHE A 72 9.270 3.438 0.820 1.00 0.00 C ATOM 232 CD1 PHE A 72 8.403 4.279 1.529 1.00 0.00 C ATOM 233 CD2 PHE A 72 9.088 3.243 -0.554 1.00 0.00 C ATOM 234 CE1 PHE A 72 7.354 4.925 0.863 1.00 0.00 C ATOM 235 CE2 PHE A 72 8.041 3.888 -1.219 1.00 0.00 C ATOM 236 CZ PHE A 72 7.173 4.730 -0.512 1.00 0.00 C ATOM 0 H PHE A 72 11.825 1.457 3.083 1.00 0.00 H new ATOM 0 HA PHE A 72 9.098 2.087 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 72 10.967 3.462 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.095 2.308 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.543 4.429 2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.756 2.594 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.685 5.573 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.901 3.737 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.365 5.228 -1.027 1.00 0.00 H new ATOM 246 N GLN A 73 9.955 -0.298 1.009 1.00 0.00 N ATOM 247 CA GLN A 73 9.419 -1.362 0.169 1.00 0.00 C ATOM 248 C GLN A 73 8.453 -2.237 0.961 1.00 0.00 C ATOM 249 O GLN A 73 7.516 -2.806 0.400 1.00 0.00 O ATOM 250 CB GLN A 73 10.562 -2.223 -0.375 1.00 0.00 C ATOM 251 CG GLN A 73 9.992 -3.326 -1.270 1.00 0.00 C ATOM 252 CD GLN A 73 11.126 -4.087 -1.948 1.00 0.00 C ATOM 253 OE1 GLN A 73 12.261 -3.612 -1.981 1.00 0.00 O ATOM 254 NE2 GLN A 73 10.885 -5.247 -2.495 1.00 0.00 N ATOM 0 H GLN A 73 10.971 -0.296 1.096 1.00 0.00 H new ATOM 0 HA GLN A 73 8.880 -0.906 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.259 -1.605 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.123 -2.663 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.388 -4.011 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.334 -2.891 -2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.944 -5.639 -2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.638 -5.762 -2.951 1.00 0.00 H new ATOM 263 N SER A 74 8.692 -2.347 2.262 1.00 0.00 N ATOM 264 CA SER A 74 7.839 -3.165 3.117 1.00 0.00 C ATOM 265 C SER A 74 6.402 -2.658 3.083 1.00 0.00 C ATOM 266 O SER A 74 5.456 -3.445 3.097 1.00 0.00 O ATOM 267 CB SER A 74 8.358 -3.131 4.555 1.00 0.00 C ATOM 268 OG SER A 74 9.742 -3.455 4.561 1.00 0.00 O ATOM 0 H SER A 74 9.462 -1.885 2.745 1.00 0.00 H new ATOM 0 HA SER A 74 7.860 -4.190 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.202 -2.143 4.987 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.804 -3.839 5.171 1.00 0.00 H new ATOM 0 HG SER A 74 10.079 -3.433 5.481 1.00 0.00 H new ATOM 274 N LEU A 75 6.246 -1.342 3.043 1.00 0.00 N ATOM 275 CA LEU A 75 4.915 -0.741 3.017 1.00 0.00 C ATOM 276 C LEU A 75 4.161 -1.175 1.765 1.00 0.00 C ATOM 277 O LEU A 75 2.973 -1.492 1.823 1.00 0.00 O ATOM 278 CB LEU A 75 5.034 0.790 3.047 1.00 0.00 C ATOM 279 CG LEU A 75 5.271 1.263 4.473 1.00 0.00 C ATOM 280 CD1 LEU A 75 6.543 0.616 5.026 1.00 0.00 C ATOM 281 CD2 LEU A 75 5.426 2.785 4.490 1.00 0.00 C ATOM 0 H LEU A 75 7.016 -0.673 3.028 1.00 0.00 H new ATOM 0 HA LEU A 75 4.362 -1.077 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.855 1.112 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.125 1.242 2.651 1.00 0.00 H new ATOM 0 HG LEU A 75 4.421 0.977 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.710 0.957 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.432 -0.468 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.394 0.898 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.596 3.122 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.274 3.071 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.519 3.247 4.101 1.00 0.00 H new ATOM 293 N MET A 76 4.859 -1.192 0.638 1.00 0.00 N ATOM 294 CA MET A 76 4.248 -1.597 -0.622 1.00 0.00 C ATOM 295 C MET A 76 3.989 -3.097 -0.639 1.00 0.00 C ATOM 296 O MET A 76 3.359 -3.616 -1.559 1.00 0.00 O ATOM 297 CB MET A 76 5.151 -1.216 -1.795 1.00 0.00 C ATOM 298 CG MET A 76 5.166 0.305 -1.959 1.00 0.00 C ATOM 299 SD MET A 76 6.185 0.747 -3.388 1.00 0.00 S ATOM 300 CE MET A 76 5.552 2.428 -3.606 1.00 0.00 C ATOM 0 H MET A 76 5.843 -0.932 0.569 1.00 0.00 H new ATOM 0 HA MET A 76 3.295 -1.077 -0.719 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.163 -1.583 -1.622 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.793 -1.687 -2.710 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.150 0.677 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.561 0.775 -1.058 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.653 2.722 -4.651 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.501 2.461 -3.320 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.120 3.115 -2.979 1.00 0.00 H new ATOM 310 N LYS A 77 4.480 -3.784 0.384 1.00 0.00 N ATOM 311 CA LYS A 77 4.300 -5.229 0.483 1.00 0.00 C ATOM 312 C LYS A 77 4.832 -5.923 -0.768 1.00 0.00 C ATOM 313 O LYS A 77 4.983 -5.301 -1.819 1.00 0.00 O ATOM 314 CB LYS A 77 2.816 -5.558 0.659 1.00 0.00 C ATOM 315 CG LYS A 77 2.328 -5.011 2.001 1.00 0.00 C ATOM 316 CD LYS A 77 0.839 -5.322 2.168 1.00 0.00 C ATOM 317 CE LYS A 77 0.363 -4.821 3.531 1.00 0.00 C ATOM 318 NZ LYS A 77 0.514 -3.339 3.597 1.00 0.00 N ATOM 0 H LYS A 77 5.004 -3.368 1.154 1.00 0.00 H new ATOM 0 HA LYS A 77 4.858 -5.588 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.237 -5.123 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.664 -6.637 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.897 -5.457 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.493 -3.935 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.266 -4.845 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.669 -6.395 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.679 -5.098 3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.942 -5.292 4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.324 -2.925 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.362 -3.101 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.610 -2.957 2.635 1.00 0.00 H new ATOM 332 N ASP A 78 5.115 -7.215 -0.647 1.00 0.00 N ATOM 333 CA ASP A 78 5.627 -7.984 -1.775 1.00 0.00 C ATOM 334 C ASP A 78 5.406 -9.476 -1.551 1.00 0.00 C ATOM 335 O ASP A 78 6.214 -10.140 -0.902 1.00 0.00 O ATOM 336 CB ASP A 78 7.120 -7.709 -1.961 1.00 0.00 C ATOM 337 CG ASP A 78 7.640 -8.459 -3.182 1.00 0.00 C ATOM 338 OD1 ASP A 78 6.888 -9.245 -3.735 1.00 0.00 O ATOM 339 OD2 ASP A 78 8.784 -8.239 -3.546 1.00 0.00 O ATOM 0 H ASP A 78 5.000 -7.749 0.214 1.00 0.00 H new ATOM 0 HA ASP A 78 5.088 -7.679 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.289 -6.639 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.669 -8.020 -1.072 1.00 0.00 H new ATOM 344 N THR A 79 4.310 -9.999 -2.091 1.00 0.00 N ATOM 345 CA THR A 79 3.993 -11.414 -1.950 1.00 0.00 C ATOM 346 C THR A 79 4.688 -12.222 -3.035 1.00 0.00 C ATOM 347 O THR A 79 5.203 -11.666 -4.003 1.00 0.00 O ATOM 348 CB THR A 79 2.481 -11.622 -2.040 1.00 0.00 C ATOM 349 OG1 THR A 79 2.008 -11.122 -3.281 1.00 0.00 O ATOM 350 CG2 THR A 79 1.795 -10.887 -0.890 1.00 0.00 C ATOM 0 H THR A 79 3.628 -9.465 -2.629 1.00 0.00 H new ATOM 0 HA THR A 79 4.345 -11.755 -0.976 1.00 0.00 H new ATOM 0 HB THR A 79 2.254 -12.686 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.281 -10.484 -3.121 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.717 -11.036 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.159 -11.278 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.019 -9.822 -0.954 1.00 0.00 H new ATOM 358 N ASP A 80 4.700 -13.540 -2.865 1.00 0.00 N ATOM 359 CA ASP A 80 5.340 -14.435 -3.835 1.00 0.00 C ATOM 360 C ASP A 80 4.312 -15.370 -4.462 1.00 0.00 C ATOM 361 O ASP A 80 4.414 -16.589 -4.341 1.00 0.00 O ATOM 362 CB ASP A 80 6.428 -15.257 -3.145 1.00 0.00 C ATOM 363 CG ASP A 80 7.603 -14.358 -2.773 1.00 0.00 C ATOM 364 OD1 ASP A 80 7.676 -13.261 -3.301 1.00 0.00 O ATOM 365 OD2 ASP A 80 8.412 -14.779 -1.962 1.00 0.00 O ATOM 0 H ASP A 80 4.276 -14.016 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 80 5.787 -13.828 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.025 -15.731 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.765 -16.056 -3.805 1.00 0.00 H new ATOM 370 N SER A 81 3.324 -14.789 -5.136 1.00 0.00 N ATOM 371 CA SER A 81 2.285 -15.580 -5.785 1.00 0.00 C ATOM 372 C SER A 81 1.483 -14.713 -6.753 1.00 0.00 C ATOM 373 O SER A 81 0.526 -14.047 -6.357 1.00 0.00 O ATOM 374 CB SER A 81 1.352 -16.181 -4.731 1.00 0.00 C ATOM 375 OG SER A 81 1.139 -15.227 -3.699 1.00 0.00 O ATOM 0 H SER A 81 3.221 -13.780 -5.246 1.00 0.00 H new ATOM 0 HA SER A 81 2.759 -16.385 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.402 -16.461 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.788 -17.091 -4.318 1.00 0.00 H new ATOM 0 HG SER A 81 0.676 -15.655 -2.949 1.00 0.00 H new ATOM 381 N GLU A 82 1.881 -14.725 -8.020 1.00 0.00 N ATOM 382 CA GLU A 82 1.196 -13.925 -9.028 1.00 0.00 C ATOM 383 C GLU A 82 -0.306 -14.182 -8.980 1.00 0.00 C ATOM 384 O GLU A 82 -1.105 -13.260 -9.148 1.00 0.00 O ATOM 385 CB GLU A 82 1.727 -14.282 -10.419 1.00 0.00 C ATOM 386 CG GLU A 82 1.129 -13.329 -11.455 1.00 0.00 C ATOM 387 CD GLU A 82 1.697 -13.636 -12.836 1.00 0.00 C ATOM 388 OE1 GLU A 82 2.664 -14.377 -12.906 1.00 0.00 O ATOM 389 OE2 GLU A 82 1.161 -13.121 -13.803 1.00 0.00 O ATOM 0 H GLU A 82 2.666 -15.274 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 82 1.383 -12.871 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.815 -14.214 -10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.468 -15.312 -10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.044 -13.429 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.351 -12.297 -11.183 1.00 0.00 H new ATOM 396 N GLU A 83 -0.685 -15.432 -8.741 1.00 0.00 N ATOM 397 CA GLU A 83 -2.097 -15.789 -8.667 1.00 0.00 C ATOM 398 C GLU A 83 -2.769 -15.077 -7.497 1.00 0.00 C ATOM 399 O GLU A 83 -3.926 -14.670 -7.588 1.00 0.00 O ATOM 400 CB GLU A 83 -2.239 -17.303 -8.491 1.00 0.00 C ATOM 401 CG GLU A 83 -1.695 -18.017 -9.730 1.00 0.00 C ATOM 402 CD GLU A 83 -2.578 -17.717 -10.937 1.00 0.00 C ATOM 403 OE1 GLU A 83 -3.769 -17.965 -10.849 1.00 0.00 O ATOM 404 OE2 GLU A 83 -2.053 -17.240 -11.928 1.00 0.00 O ATOM 0 H GLU A 83 -0.041 -16.209 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.582 -15.480 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.696 -17.629 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.286 -17.565 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.673 -17.692 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.659 -19.092 -9.554 1.00 0.00 H new ATOM 411 N GLU A 84 -2.037 -14.934 -6.399 1.00 0.00 N ATOM 412 CA GLU A 84 -2.578 -14.274 -5.217 1.00 0.00 C ATOM 413 C GLU A 84 -2.881 -12.810 -5.517 1.00 0.00 C ATOM 414 O GLU A 84 -3.833 -12.246 -4.983 1.00 0.00 O ATOM 415 CB GLU A 84 -1.573 -14.362 -4.062 1.00 0.00 C ATOM 416 CG GLU A 84 -2.238 -13.897 -2.764 1.00 0.00 C ATOM 417 CD GLU A 84 -3.274 -14.924 -2.316 1.00 0.00 C ATOM 418 OE1 GLU A 84 -3.330 -15.984 -2.919 1.00 0.00 O ATOM 419 OE2 GLU A 84 -3.995 -14.636 -1.376 1.00 0.00 O ATOM 0 H GLU A 84 -1.076 -15.263 -6.302 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.503 -14.777 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.218 -15.387 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.702 -13.744 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.485 -13.764 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.715 -12.929 -2.916 1.00 0.00 H new ATOM 426 N ILE A 85 -2.061 -12.198 -6.362 1.00 0.00 N ATOM 427 CA ILE A 85 -2.251 -10.792 -6.704 1.00 0.00 C ATOM 428 C ILE A 85 -3.597 -10.586 -7.383 1.00 0.00 C ATOM 429 O ILE A 85 -4.340 -9.668 -7.035 1.00 0.00 O ATOM 430 CB ILE A 85 -1.132 -10.339 -7.649 1.00 0.00 C ATOM 431 CG1 ILE A 85 0.228 -10.730 -7.054 1.00 0.00 C ATOM 432 CG2 ILE A 85 -1.189 -8.816 -7.820 1.00 0.00 C ATOM 433 CD1 ILE A 85 0.344 -10.220 -5.614 1.00 0.00 C ATOM 0 H ILE A 85 -1.267 -12.646 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.224 -10.203 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.261 -10.820 -8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.343 -11.814 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.032 -10.313 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.393 -8.495 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.154 -8.533 -8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.060 -8.336 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.313 -10.504 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.250 -9.134 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.449 -10.658 -5.008 1.00 0.00 H new ATOM 445 N ARG A 86 -3.909 -11.443 -8.346 1.00 0.00 N ATOM 446 CA ARG A 86 -5.174 -11.338 -9.063 1.00 0.00 C ATOM 447 C ARG A 86 -6.344 -11.552 -8.106 1.00 0.00 C ATOM 448 O ARG A 86 -7.333 -10.820 -8.148 1.00 0.00 O ATOM 449 CB ARG A 86 -5.227 -12.381 -10.181 1.00 0.00 C ATOM 450 CG ARG A 86 -6.509 -12.196 -10.995 1.00 0.00 C ATOM 451 CD ARG A 86 -6.542 -13.216 -12.134 1.00 0.00 C ATOM 452 NE ARG A 86 -7.695 -12.969 -12.995 1.00 0.00 N ATOM 453 CZ ARG A 86 -7.632 -12.096 -13.995 1.00 0.00 C ATOM 454 NH1 ARG A 86 -6.564 -11.362 -14.153 1.00 0.00 N ATOM 455 NH2 ARG A 86 -8.637 -11.970 -14.817 1.00 0.00 N ATOM 0 H ARG A 86 -3.310 -12.212 -8.647 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.248 -10.340 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.356 -12.280 -10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.195 -13.385 -9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.381 -12.323 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.554 -11.184 -11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.623 -13.152 -12.717 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.592 -14.226 -11.727 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.564 -13.475 -12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.779 -11.459 -13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.515 -10.692 -14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.472 -12.542 -14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.587 -11.300 -15.584 1.00 0.00 H new ATOM 469 N GLU A 87 -6.223 -12.561 -7.248 1.00 0.00 N ATOM 470 CA GLU A 87 -7.277 -12.861 -6.287 1.00 0.00 C ATOM 471 C GLU A 87 -7.395 -11.741 -5.257 1.00 0.00 C ATOM 472 O GLU A 87 -8.487 -11.311 -4.911 1.00 0.00 O ATOM 473 CB GLU A 87 -6.975 -14.179 -5.574 1.00 0.00 C ATOM 474 CG GLU A 87 -7.058 -15.333 -6.576 1.00 0.00 C ATOM 475 CD GLU A 87 -6.674 -16.642 -5.894 1.00 0.00 C ATOM 476 OE1 GLU A 87 -6.476 -16.625 -4.691 1.00 0.00 O ATOM 477 OE2 GLU A 87 -6.587 -17.644 -6.585 1.00 0.00 O ATOM 0 H GLU A 87 -5.413 -13.179 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.220 -12.948 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.982 -14.143 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.685 -14.337 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.069 -15.405 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.393 -15.143 -7.418 1.00 0.00 H new ATOM 484 N ALA A 88 -6.261 -11.282 -4.758 1.00 0.00 N ATOM 485 CA ALA A 88 -6.264 -10.218 -3.764 1.00 0.00 C ATOM 486 C ALA A 88 -6.852 -8.936 -4.341 1.00 0.00 C ATOM 487 O ALA A 88 -7.703 -8.306 -3.725 1.00 0.00 O ATOM 488 CB ALA A 88 -4.830 -9.938 -3.297 1.00 0.00 C ATOM 0 H ALA A 88 -5.336 -11.623 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.876 -10.544 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.839 -9.141 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.408 -10.841 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.223 -9.633 -4.149 1.00 0.00 H new ATOM 494 N PHE A 89 -6.386 -8.553 -5.523 1.00 0.00 N ATOM 495 CA PHE A 89 -6.862 -7.326 -6.149 1.00 0.00 C ATOM 496 C PHE A 89 -8.378 -7.325 -6.295 1.00 0.00 C ATOM 497 O PHE A 89 -9.053 -6.407 -5.826 1.00 0.00 O ATOM 498 CB PHE A 89 -6.234 -7.183 -7.542 1.00 0.00 C ATOM 499 CG PHE A 89 -6.646 -5.865 -8.153 1.00 0.00 C ATOM 500 CD1 PHE A 89 -5.888 -4.714 -7.907 1.00 0.00 C ATOM 501 CD2 PHE A 89 -7.786 -5.792 -8.963 1.00 0.00 C ATOM 502 CE1 PHE A 89 -6.270 -3.490 -8.469 1.00 0.00 C ATOM 503 CE2 PHE A 89 -8.167 -4.567 -9.527 1.00 0.00 C ATOM 504 CZ PHE A 89 -7.408 -3.416 -9.280 1.00 0.00 C ATOM 0 H PHE A 89 -5.688 -9.066 -6.062 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.573 -6.492 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.148 -7.237 -7.469 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.552 -8.007 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.008 -4.770 -7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.371 -6.679 -9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.686 -2.602 -8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.046 -4.510 -10.152 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.701 -2.472 -9.715 1.00 0.00 H new ATOM 514 N ARG A 90 -8.910 -8.353 -6.943 1.00 0.00 N ATOM 515 CA ARG A 90 -10.352 -8.449 -7.145 1.00 0.00 C ATOM 516 C ARG A 90 -11.084 -8.569 -5.817 1.00 0.00 C ATOM 517 O ARG A 90 -12.104 -7.914 -5.595 1.00 0.00 O ATOM 518 CB ARG A 90 -10.672 -9.653 -8.037 1.00 0.00 C ATOM 519 CG ARG A 90 -10.396 -10.947 -7.276 1.00 0.00 C ATOM 520 CD ARG A 90 -10.503 -12.137 -8.219 1.00 0.00 C ATOM 521 NE ARG A 90 -11.824 -12.169 -8.827 1.00 0.00 N ATOM 522 CZ ARG A 90 -12.110 -13.032 -9.793 1.00 0.00 C ATOM 523 NH1 ARG A 90 -11.598 -14.233 -9.767 1.00 0.00 N ATOM 524 NH2 ARG A 90 -12.900 -12.680 -10.769 1.00 0.00 N ATOM 0 H ARG A 90 -8.372 -9.126 -7.335 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.692 -7.537 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.716 -9.619 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.067 -9.617 -8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.401 -10.912 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.107 -11.056 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.738 -12.069 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.322 -13.063 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.541 -11.518 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.979 -14.507 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.817 -14.897 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.298 -11.741 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.120 -13.344 -11.512 1.00 0.00 H new ATOM 538 N VAL A 91 -10.564 -9.414 -4.937 1.00 0.00 N ATOM 539 CA VAL A 91 -11.184 -9.626 -3.639 1.00 0.00 C ATOM 540 C VAL A 91 -11.271 -8.303 -2.890 1.00 0.00 C ATOM 541 O VAL A 91 -12.271 -8.019 -2.233 1.00 0.00 O ATOM 542 CB VAL A 91 -10.363 -10.639 -2.826 1.00 0.00 C ATOM 543 CG1 VAL A 91 -10.745 -10.553 -1.343 1.00 0.00 C ATOM 544 CG2 VAL A 91 -10.646 -12.058 -3.337 1.00 0.00 C ATOM 0 H VAL A 91 -9.718 -9.961 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.190 -10.022 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.304 -10.410 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.159 -11.274 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.543 -9.548 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.806 -10.776 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.063 -12.776 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.707 -12.280 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.369 -12.128 -4.389 1.00 0.00 H new ATOM 554 N GLU A 92 -10.213 -7.511 -2.974 1.00 0.00 N ATOM 555 CA GLU A 92 -10.185 -6.230 -2.280 1.00 0.00 C ATOM 556 C GLU A 92 -11.121 -5.240 -2.961 1.00 0.00 C ATOM 557 O GLU A 92 -11.487 -4.222 -2.374 1.00 0.00 O ATOM 558 CB GLU A 92 -8.744 -5.672 -2.275 1.00 0.00 C ATOM 559 CG GLU A 92 -8.096 -5.904 -0.908 1.00 0.00 C ATOM 560 CD GLU A 92 -8.005 -7.399 -0.621 1.00 0.00 C ATOM 561 OE1 GLU A 92 -8.368 -8.172 -1.490 1.00 0.00 O ATOM 562 OE2 GLU A 92 -7.586 -7.747 0.469 1.00 0.00 O ATOM 0 H GLU A 92 -9.372 -7.727 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.519 -6.377 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.155 -6.158 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.757 -4.606 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.101 -5.460 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.680 -5.411 -0.131 1.00 0.00 H new ATOM 569 N ASP A 93 -11.503 -5.540 -4.194 1.00 0.00 N ATOM 570 CA ASP A 93 -12.398 -4.658 -4.935 1.00 0.00 C ATOM 571 C ASP A 93 -13.857 -4.973 -4.591 1.00 0.00 C ATOM 572 O ASP A 93 -14.520 -5.720 -5.308 1.00 0.00 O ATOM 573 CB ASP A 93 -12.170 -4.842 -6.440 1.00 0.00 C ATOM 574 CG ASP A 93 -12.701 -3.631 -7.196 1.00 0.00 C ATOM 575 OD1 ASP A 93 -13.740 -3.129 -6.813 1.00 0.00 O ATOM 576 OD2 ASP A 93 -12.055 -3.223 -8.145 1.00 0.00 O ATOM 0 H ASP A 93 -11.212 -6.377 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.187 -3.625 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.107 -4.971 -6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.672 -5.746 -6.785 1.00 0.00 H new ATOM 581 N LYS A 94 -14.347 -4.417 -3.480 1.00 0.00 N ATOM 582 CA LYS A 94 -15.700 -4.657 -3.055 1.00 0.00 C ATOM 583 C LYS A 94 -16.695 -4.195 -4.110 1.00 0.00 C ATOM 584 O LYS A 94 -17.649 -4.903 -4.429 1.00 0.00 O ATOM 585 CB LYS A 94 -15.960 -3.908 -1.741 1.00 0.00 C ATOM 586 CG LYS A 94 -17.174 -4.507 -1.055 1.00 0.00 C ATOM 587 CD LYS A 94 -17.383 -3.844 0.311 1.00 0.00 C ATOM 588 CE LYS A 94 -18.611 -4.447 1.000 1.00 0.00 C ATOM 589 NZ LYS A 94 -18.795 -3.808 2.336 1.00 0.00 N ATOM 0 H LYS A 94 -13.814 -3.799 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.831 -5.729 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.088 -3.978 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.125 -2.849 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -18.059 -4.367 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -17.039 -5.581 -0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.499 -3.986 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -17.516 -2.769 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -19.498 -4.293 0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -18.485 -5.524 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -19.629 -4.217 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.952 -3.977 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -18.933 -2.784 2.215 1.00 0.00 H new ATOM 603 N ASP A 95 -16.465 -3.002 -4.650 1.00 0.00 N ATOM 604 CA ASP A 95 -17.354 -2.455 -5.671 1.00 0.00 C ATOM 605 C ASP A 95 -17.028 -3.034 -7.041 1.00 0.00 C ATOM 606 O ASP A 95 -17.689 -2.721 -8.030 1.00 0.00 O ATOM 607 CB ASP A 95 -17.222 -0.931 -5.708 1.00 0.00 C ATOM 608 CG ASP A 95 -15.755 -0.537 -5.819 1.00 0.00 C ATOM 609 OD1 ASP A 95 -14.918 -1.417 -5.729 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.491 0.642 -5.982 1.00 0.00 O ATOM 0 H ASP A 95 -15.680 -2.401 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.379 -2.727 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -17.780 -0.530 -6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.656 -0.498 -4.807 1.00 0.00 H new ATOM 615 N GLY A 96 -16.006 -3.879 -7.092 1.00 0.00 N ATOM 616 CA GLY A 96 -15.601 -4.498 -8.348 1.00 0.00 C ATOM 617 C GLY A 96 -15.414 -3.448 -9.439 1.00 0.00 C ATOM 618 O GLY A 96 -15.484 -3.755 -10.628 1.00 0.00 O ATOM 0 H GLY A 96 -15.446 -4.150 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.671 -5.047 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.354 -5.222 -8.660 1.00 0.00 H new ATOM 622 N ASN A 97 -15.175 -2.208 -9.024 1.00 0.00 N ATOM 623 CA ASN A 97 -14.980 -1.120 -9.975 1.00 0.00 C ATOM 624 C ASN A 97 -13.630 -1.253 -10.670 1.00 0.00 C ATOM 625 O ASN A 97 -13.353 -0.561 -11.649 1.00 0.00 O ATOM 626 CB ASN A 97 -15.052 0.226 -9.251 1.00 0.00 C ATOM 627 CG ASN A 97 -13.992 0.285 -8.156 1.00 0.00 C ATOM 628 OD1 ASN A 97 -13.325 -0.712 -7.881 1.00 0.00 O ATOM 629 ND2 ASN A 97 -13.796 1.402 -7.509 1.00 0.00 N ATOM 0 H ASN A 97 -15.112 -1.933 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.769 -1.172 -10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.899 1.039 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.043 0.363 -8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.089 1.449 -6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.349 2.228 -7.738 1.00 0.00 H new ATOM 636 N GLY A 98 -12.791 -2.146 -10.156 1.00 0.00 N ATOM 637 CA GLY A 98 -11.468 -2.360 -10.732 1.00 0.00 C ATOM 638 C GLY A 98 -10.487 -1.307 -10.234 1.00 0.00 C ATOM 639 O GLY A 98 -9.476 -1.031 -10.880 1.00 0.00 O ATOM 0 H GLY A 98 -13.001 -2.730 -9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.107 -3.354 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.529 -2.322 -11.820 1.00 0.00 H new ATOM 643 N TYR A 99 -10.786 -0.721 -9.077 1.00 0.00 N ATOM 644 CA TYR A 99 -9.918 0.302 -8.498 1.00 0.00 C ATOM 645 C TYR A 99 -9.877 0.170 -6.983 1.00 0.00 C ATOM 646 O TYR A 99 -10.873 -0.183 -6.353 1.00 0.00 O ATOM 647 CB TYR A 99 -10.431 1.691 -8.875 1.00 0.00 C ATOM 648 CG TYR A 99 -10.476 1.818 -10.379 1.00 0.00 C ATOM 649 CD1 TYR A 99 -9.316 2.149 -11.089 1.00 0.00 C ATOM 650 CD2 TYR A 99 -11.678 1.603 -11.064 1.00 0.00 C ATOM 651 CE1 TYR A 99 -9.358 2.267 -12.483 1.00 0.00 C ATOM 652 CE2 TYR A 99 -11.721 1.721 -12.458 1.00 0.00 C ATOM 653 CZ TYR A 99 -10.560 2.052 -13.168 1.00 0.00 C ATOM 654 OH TYR A 99 -10.601 2.168 -14.543 1.00 0.00 O ATOM 0 H TYR A 99 -11.617 -0.935 -8.525 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.911 0.166 -8.892 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.425 1.850 -8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.781 2.458 -8.454 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -8.388 2.313 -10.561 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.573 1.346 -10.516 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -8.463 2.524 -13.030 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -12.649 1.557 -12.986 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.510 1.986 -14.860 1.00 0.00 H new ATOM 664 N ILE A 100 -8.717 0.460 -6.397 1.00 0.00 N ATOM 665 CA ILE A 100 -8.554 0.375 -4.944 1.00 0.00 C ATOM 666 C ILE A 100 -8.554 1.765 -4.331 1.00 0.00 C ATOM 667 O ILE A 100 -7.707 2.596 -4.652 1.00 0.00 O ATOM 668 CB ILE A 100 -7.242 -0.334 -4.606 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.112 -1.599 -5.461 1.00 0.00 C ATOM 670 CG2 ILE A 100 -7.228 -0.710 -3.125 1.00 0.00 C ATOM 671 CD1 ILE A 100 -8.364 -2.471 -5.297 1.00 0.00 C ATOM 0 H ILE A 100 -7.880 0.754 -6.901 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.388 -0.194 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.405 0.332 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.981 -1.328 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.226 -2.160 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.292 -1.215 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.318 0.192 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.064 -1.376 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.265 -3.368 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.475 -2.755 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.242 -1.910 -5.616 1.00 0.00 H new ATOM 683 N SER A 101 -9.515 2.012 -3.445 1.00 0.00 N ATOM 684 CA SER A 101 -9.630 3.313 -2.780 1.00 0.00 C ATOM 685 C SER A 101 -9.241 3.197 -1.312 1.00 0.00 C ATOM 686 O SER A 101 -8.908 2.114 -0.833 1.00 0.00 O ATOM 687 CB SER A 101 -11.061 3.833 -2.894 1.00 0.00 C ATOM 688 OG SER A 101 -11.259 4.865 -1.939 1.00 0.00 O ATOM 0 H SER A 101 -10.225 1.333 -3.169 1.00 0.00 H new ATOM 0 HA SER A 101 -8.952 4.013 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.244 4.211 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.770 3.023 -2.724 1.00 0.00 H new ATOM 0 HG SER A 101 -12.176 5.204 -2.009 1.00 0.00 H new ATOM 694 N ALA A 102 -9.286 4.319 -0.603 1.00 0.00 N ATOM 695 CA ALA A 102 -8.930 4.335 0.811 1.00 0.00 C ATOM 696 C ALA A 102 -9.745 3.302 1.580 1.00 0.00 C ATOM 697 O ALA A 102 -9.209 2.566 2.407 1.00 0.00 O ATOM 698 CB ALA A 102 -9.181 5.727 1.394 1.00 0.00 C ATOM 0 H ALA A 102 -9.564 5.225 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.873 4.087 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.913 5.733 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.574 6.459 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.235 5.982 1.286 1.00 0.00 H new ATOM 704 N ALA A 103 -11.043 3.253 1.305 1.00 0.00 N ATOM 705 CA ALA A 103 -11.924 2.310 1.983 1.00 0.00 C ATOM 706 C ALA A 103 -11.385 0.891 1.842 1.00 0.00 C ATOM 707 O ALA A 103 -11.278 0.158 2.825 1.00 0.00 O ATOM 708 CB ALA A 103 -13.330 2.385 1.383 1.00 0.00 C ATOM 0 H ALA A 103 -11.507 3.851 0.621 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.968 2.572 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.982 1.677 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.724 3.394 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.287 2.137 0.323 1.00 0.00 H new ATOM 714 N GLU A 104 -11.034 0.512 0.619 1.00 0.00 N ATOM 715 CA GLU A 104 -10.493 -0.819 0.366 1.00 0.00 C ATOM 716 C GLU A 104 -9.072 -0.930 0.913 1.00 0.00 C ATOM 717 O GLU A 104 -8.671 -1.975 1.424 1.00 0.00 O ATOM 718 CB GLU A 104 -10.493 -1.108 -1.135 1.00 0.00 C ATOM 719 CG GLU A 104 -11.900 -0.886 -1.697 1.00 0.00 C ATOM 720 CD GLU A 104 -12.041 -1.577 -3.047 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.036 -1.723 -3.725 1.00 0.00 O ATOM 722 OE2 GLU A 104 -13.151 -1.952 -3.383 1.00 0.00 O ATOM 0 H GLU A 104 -11.113 1.103 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.123 -1.551 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.780 -0.457 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.174 -2.134 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.643 -1.275 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.093 0.181 -1.805 1.00 0.00 H new ATOM 729 N LEU A 105 -8.317 0.154 0.799 1.00 0.00 N ATOM 730 CA LEU A 105 -6.943 0.172 1.279 1.00 0.00 C ATOM 731 C LEU A 105 -6.914 -0.054 2.793 1.00 0.00 C ATOM 732 O LEU A 105 -5.968 -0.623 3.335 1.00 0.00 O ATOM 733 CB LEU A 105 -6.281 1.522 0.936 1.00 0.00 C ATOM 734 CG LEU A 105 -4.798 1.306 0.616 1.00 0.00 C ATOM 735 CD1 LEU A 105 -4.146 2.646 0.290 1.00 0.00 C ATOM 736 CD2 LEU A 105 -4.095 0.664 1.816 1.00 0.00 C ATOM 0 H LEU A 105 -8.632 1.029 0.380 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.388 -0.629 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.784 1.978 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.385 2.212 1.774 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.708 0.643 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.091 2.492 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.642 3.092 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.238 3.314 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.041 0.513 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.184 1.319 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.559 -0.297 2.038 1.00 0.00 H new ATOM 748 N ARG A 106 -7.957 0.403 3.469 1.00 0.00 N ATOM 749 CA ARG A 106 -8.040 0.248 4.917 1.00 0.00 C ATOM 750 C ARG A 106 -8.153 -1.226 5.300 1.00 0.00 C ATOM 751 O ARG A 106 -7.575 -1.667 6.294 1.00 0.00 O ATOM 752 CB ARG A 106 -9.243 1.019 5.458 1.00 0.00 C ATOM 753 CG ARG A 106 -9.272 0.922 6.986 1.00 0.00 C ATOM 754 CD ARG A 106 -10.462 1.713 7.524 1.00 0.00 C ATOM 755 NE ARG A 106 -10.507 1.627 8.981 1.00 0.00 N ATOM 756 CZ ARG A 106 -11.157 0.641 9.593 1.00 0.00 C ATOM 757 NH1 ARG A 106 -11.435 -0.457 8.945 1.00 0.00 N ATOM 758 NH2 ARG A 106 -11.518 0.773 10.840 1.00 0.00 N ATOM 0 H ARG A 106 -8.752 0.880 3.045 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.127 0.650 5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.186 2.063 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.165 0.614 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.346 -0.121 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.344 1.312 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.384 2.756 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.388 1.324 7.101 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.031 2.336 9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.154 -0.559 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.933 -1.214 9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.302 1.632 11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.016 0.017 11.309 1.00 0.00 H new ATOM 772 N HIS A 107 -8.920 -1.977 4.517 1.00 0.00 N ATOM 773 CA HIS A 107 -9.124 -3.393 4.798 1.00 0.00 C ATOM 774 C HIS A 107 -7.781 -4.107 4.909 1.00 0.00 C ATOM 775 O HIS A 107 -7.586 -4.946 5.789 1.00 0.00 O ATOM 776 CB HIS A 107 -9.950 -4.031 3.680 1.00 0.00 C ATOM 777 CG HIS A 107 -11.356 -3.498 3.728 1.00 0.00 C ATOM 778 ND1 HIS A 107 -12.386 -4.062 2.992 1.00 0.00 N ATOM 779 CD2 HIS A 107 -11.916 -2.450 4.415 1.00 0.00 C ATOM 780 CE1 HIS A 107 -13.503 -3.358 3.253 1.00 0.00 C ATOM 781 NE2 HIS A 107 -13.272 -2.363 4.113 1.00 0.00 N ATOM 0 H HIS A 107 -9.407 -1.632 3.690 1.00 0.00 H new ATOM 0 HA HIS A 107 -9.658 -3.488 5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.500 -3.813 2.711 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -9.957 -5.115 3.792 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.385 -1.793 5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.469 -3.572 2.820 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -13.945 -1.685 4.472 1.00 0.00 H new ATOM 789 N VAL A 108 -6.856 -3.767 4.019 1.00 0.00 N ATOM 790 CA VAL A 108 -5.532 -4.378 4.038 1.00 0.00 C ATOM 791 C VAL A 108 -4.779 -3.978 5.303 1.00 0.00 C ATOM 792 O VAL A 108 -4.155 -4.814 5.952 1.00 0.00 O ATOM 793 CB VAL A 108 -4.739 -3.938 2.807 1.00 0.00 C ATOM 794 CG1 VAL A 108 -3.328 -4.527 2.871 1.00 0.00 C ATOM 795 CG2 VAL A 108 -5.444 -4.433 1.544 1.00 0.00 C ATOM 0 H VAL A 108 -6.996 -3.077 3.281 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.649 -5.462 4.026 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.676 -2.850 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.763 -4.213 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.826 -4.173 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.389 -5.615 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.879 -4.120 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.508 -5.521 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.448 -4.012 1.499 1.00 0.00 H new ATOM 805 N MET A 109 -4.842 -2.695 5.649 1.00 0.00 N ATOM 806 CA MET A 109 -4.159 -2.199 6.843 1.00 0.00 C ATOM 807 C MET A 109 -4.747 -2.844 8.095 1.00 0.00 C ATOM 808 O MET A 109 -4.018 -3.233 9.005 1.00 0.00 O ATOM 809 CB MET A 109 -4.309 -0.678 6.928 1.00 0.00 C ATOM 810 CG MET A 109 -3.380 -0.014 5.910 1.00 0.00 C ATOM 811 SD MET A 109 -3.633 1.777 5.941 1.00 0.00 S ATOM 812 CE MET A 109 -2.326 2.210 4.766 1.00 0.00 C ATOM 0 H MET A 109 -5.354 -1.985 5.126 1.00 0.00 H new ATOM 0 HA MET A 109 -3.102 -2.457 6.777 1.00 0.00 H new ATOM 0 HB2 MET A 109 -5.343 -0.393 6.733 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.068 -0.334 7.934 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.341 -0.249 6.142 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.580 -0.403 4.912 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.535 3.189 4.334 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.367 2.239 5.283 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.288 1.464 3.973 1.00 0.00 H new ATOM 822 N THR A 110 -6.068 -2.961 8.131 1.00 0.00 N ATOM 823 CA THR A 110 -6.744 -3.567 9.273 1.00 0.00 C ATOM 824 C THR A 110 -6.279 -5.011 9.453 1.00 0.00 C ATOM 825 O THR A 110 -6.073 -5.472 10.576 1.00 0.00 O ATOM 826 CB THR A 110 -8.259 -3.535 9.067 1.00 0.00 C ATOM 827 OG1 THR A 110 -8.647 -2.239 8.636 1.00 0.00 O ATOM 828 CG2 THR A 110 -8.960 -3.868 10.386 1.00 0.00 C ATOM 0 H THR A 110 -6.691 -2.646 7.387 1.00 0.00 H new ATOM 0 HA THR A 110 -6.494 -2.997 10.168 1.00 0.00 H new ATOM 0 HB THR A 110 -8.541 -4.269 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.519 -2.164 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 110 -10.040 -3.845 10.240 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.659 -4.862 10.717 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.681 -3.134 11.142 1.00 0.00 H new ATOM 836 N ASN A 111 -6.119 -5.717 8.341 1.00 0.00 N ATOM 837 CA ASN A 111 -5.680 -7.109 8.383 1.00 0.00 C ATOM 838 C ASN A 111 -4.326 -7.216 9.080 1.00 0.00 C ATOM 839 O ASN A 111 -4.029 -8.218 9.730 1.00 0.00 O ATOM 840 CB ASN A 111 -5.575 -7.666 6.958 1.00 0.00 C ATOM 841 CG ASN A 111 -6.967 -7.963 6.412 1.00 0.00 C ATOM 842 OD1 ASN A 111 -7.917 -8.118 7.180 1.00 0.00 O ATOM 843 ND2 ASN A 111 -7.146 -8.046 5.124 1.00 0.00 N ATOM 0 H ASN A 111 -6.285 -5.353 7.403 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.412 -7.690 8.944 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.068 -6.947 6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.973 -8.575 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.075 -8.240 4.750 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.357 -7.917 4.490 1.00 0.00 H new ATOM 850 N LEU A 112 -3.507 -6.180 8.938 1.00 0.00 N ATOM 851 CA LEU A 112 -2.185 -6.171 9.555 1.00 0.00 C ATOM 852 C LEU A 112 -2.307 -6.018 11.065 1.00 0.00 C ATOM 853 O LEU A 112 -1.386 -6.358 11.806 1.00 0.00 O ATOM 854 CB LEU A 112 -1.356 -5.017 8.988 1.00 0.00 C ATOM 855 CG LEU A 112 -1.170 -5.211 7.479 1.00 0.00 C ATOM 856 CD1 LEU A 112 -0.465 -3.987 6.892 1.00 0.00 C ATOM 857 CD2 LEU A 112 -0.329 -6.472 7.209 1.00 0.00 C ATOM 0 H LEU A 112 -3.733 -5.340 8.405 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.690 -7.117 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.854 -4.067 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.385 -4.976 9.482 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.147 -5.330 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.332 -4.124 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.069 -3.098 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.509 -3.866 7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.202 -6.602 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.648 -6.365 7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.837 -7.343 7.622 1.00 0.00 H new ATOM 869 N GLY A 113 -3.450 -5.512 11.514 1.00 0.00 N ATOM 870 CA GLY A 113 -3.681 -5.325 12.943 1.00 0.00 C ATOM 871 C GLY A 113 -3.165 -3.973 13.408 1.00 0.00 C ATOM 872 O GLY A 113 -2.889 -3.777 14.591 1.00 0.00 O ATOM 0 H GLY A 113 -4.225 -5.226 10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.747 -5.404 13.156 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.185 -6.119 13.502 1.00 0.00 H new ATOM 876 N GLU A 114 -3.036 -3.036 12.471 1.00 0.00 N ATOM 877 CA GLU A 114 -2.554 -1.696 12.801 1.00 0.00 C ATOM 878 C GLU A 114 -3.344 -0.642 12.034 1.00 0.00 C ATOM 879 O GLU A 114 -3.137 -0.444 10.838 1.00 0.00 O ATOM 880 CB GLU A 114 -1.070 -1.579 12.451 1.00 0.00 C ATOM 881 CG GLU A 114 -0.549 -0.209 12.885 1.00 0.00 C ATOM 882 CD GLU A 114 0.951 -0.115 12.630 1.00 0.00 C ATOM 883 OE1 GLU A 114 1.563 -1.151 12.428 1.00 0.00 O ATOM 884 OE2 GLU A 114 1.466 0.990 12.645 1.00 0.00 O ATOM 0 H GLU A 114 -3.256 -3.177 11.485 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.691 -1.530 13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.505 -2.368 12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.927 -1.711 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.069 0.577 12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.757 -0.051 13.943 1.00 0.00 H new ATOM 891 N LYS A 115 -4.247 0.036 12.735 1.00 0.00 N ATOM 892 CA LYS A 115 -5.064 1.074 12.115 1.00 0.00 C ATOM 893 C LYS A 115 -4.295 2.385 12.053 1.00 0.00 C ATOM 894 O LYS A 115 -3.578 2.738 12.990 1.00 0.00 O ATOM 895 CB LYS A 115 -6.353 1.276 12.912 1.00 0.00 C ATOM 896 CG LYS A 115 -7.241 2.297 12.199 1.00 0.00 C ATOM 897 CD LYS A 115 -8.559 2.448 12.959 1.00 0.00 C ATOM 898 CE LYS A 115 -9.453 3.457 12.237 1.00 0.00 C ATOM 899 NZ LYS A 115 -10.728 3.619 12.990 1.00 0.00 N ATOM 0 H LYS A 115 -4.431 -0.113 13.727 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.313 0.758 11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.881 0.328 13.015 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.120 1.622 13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.731 3.259 12.139 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.434 1.975 11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.063 1.484 13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.367 2.781 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.943 4.417 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.658 3.116 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.336 4.305 12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -11.216 2.702 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -10.523 3.963 13.950 1.00 0.00 H new ATOM 913 N LEU A 116 -4.448 3.107 10.945 1.00 0.00 N ATOM 914 CA LEU A 116 -3.762 4.388 10.765 1.00 0.00 C ATOM 915 C LEU A 116 -4.767 5.533 10.760 1.00 0.00 C ATOM 916 O LEU A 116 -5.967 5.318 10.590 1.00 0.00 O ATOM 917 CB LEU A 116 -2.986 4.383 9.448 1.00 0.00 C ATOM 918 CG LEU A 116 -2.096 3.138 9.385 1.00 0.00 C ATOM 919 CD1 LEU A 116 -1.288 3.155 8.086 1.00 0.00 C ATOM 920 CD2 LEU A 116 -1.138 3.119 10.586 1.00 0.00 C ATOM 0 H LEU A 116 -5.038 2.830 10.160 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.069 4.529 11.594 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.678 4.392 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.377 5.283 9.369 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.723 2.247 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.654 2.269 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.968 3.159 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.665 4.049 8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.508 2.231 10.535 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.511 4.010 10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.714 3.102 11.511 1.00 0.00 H new ATOM 932 N THR A 117 -4.269 6.749 10.954 1.00 0.00 N ATOM 933 CA THR A 117 -5.135 7.920 10.978 1.00 0.00 C ATOM 934 C THR A 117 -5.573 8.290 9.565 1.00 0.00 C ATOM 935 O THR A 117 -4.994 7.826 8.583 1.00 0.00 O ATOM 936 CB THR A 117 -4.393 9.106 11.616 1.00 0.00 C ATOM 937 OG1 THR A 117 -3.513 8.626 12.621 1.00 0.00 O ATOM 938 CG2 THR A 117 -5.400 10.077 12.237 1.00 0.00 C ATOM 0 H THR A 117 -3.279 6.948 11.096 1.00 0.00 H new ATOM 0 HA THR A 117 -6.020 7.685 11.570 1.00 0.00 H new ATOM 0 HB THR A 117 -3.821 9.628 10.849 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.038 9.381 13.027 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.868 10.915 12.687 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.072 10.448 11.463 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.978 9.561 13.003 1.00 0.00 H new ATOM 946 N ASP A 118 -6.604 9.123 9.473 1.00 0.00 N ATOM 947 CA ASP A 118 -7.117 9.541 8.176 1.00 0.00 C ATOM 948 C ASP A 118 -6.054 10.312 7.399 1.00 0.00 C ATOM 949 O ASP A 118 -5.902 10.132 6.192 1.00 0.00 O ATOM 950 CB ASP A 118 -8.355 10.423 8.362 1.00 0.00 C ATOM 951 CG ASP A 118 -8.939 10.797 7.004 1.00 0.00 C ATOM 952 OD1 ASP A 118 -8.323 10.465 6.005 1.00 0.00 O ATOM 953 OD2 ASP A 118 -9.997 11.405 6.984 1.00 0.00 O ATOM 0 H ASP A 118 -7.096 9.518 10.274 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.387 8.649 7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.102 9.895 8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -8.089 11.325 8.913 1.00 0.00 H new ATOM 958 N GLU A 119 -5.321 11.167 8.100 1.00 0.00 N ATOM 959 CA GLU A 119 -4.275 11.958 7.470 1.00 0.00 C ATOM 960 C GLU A 119 -3.134 11.066 7.003 1.00 0.00 C ATOM 961 O GLU A 119 -2.555 11.291 5.941 1.00 0.00 O ATOM 962 CB GLU A 119 -3.741 12.999 8.456 1.00 0.00 C ATOM 963 CG GLU A 119 -4.820 14.056 8.742 1.00 0.00 C ATOM 964 CD GLU A 119 -5.796 13.540 9.796 1.00 0.00 C ATOM 965 OE1 GLU A 119 -5.668 12.391 10.182 1.00 0.00 O ATOM 966 OE2 GLU A 119 -6.661 14.299 10.194 1.00 0.00 O ATOM 0 H GLU A 119 -5.431 11.329 9.101 1.00 0.00 H new ATOM 0 HA GLU A 119 -4.702 12.463 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -3.442 12.512 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.852 13.477 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.353 14.978 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.357 14.296 7.824 1.00 0.00 H new ATOM 973 N GLU A 120 -2.814 10.055 7.799 1.00 0.00 N ATOM 974 CA GLU A 120 -1.737 9.136 7.451 1.00 0.00 C ATOM 975 C GLU A 120 -2.045 8.412 6.147 1.00 0.00 C ATOM 976 O GLU A 120 -1.186 8.300 5.271 1.00 0.00 O ATOM 977 CB GLU A 120 -1.548 8.113 8.572 1.00 0.00 C ATOM 978 CG GLU A 120 -0.972 8.803 9.809 1.00 0.00 C ATOM 979 CD GLU A 120 0.459 9.259 9.537 1.00 0.00 C ATOM 980 OE1 GLU A 120 1.067 8.718 8.627 1.00 0.00 O ATOM 981 OE2 GLU A 120 0.923 10.145 10.236 1.00 0.00 O ATOM 0 H GLU A 120 -3.280 9.851 8.683 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.821 9.712 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.502 7.646 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.879 7.318 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.590 9.660 10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.989 8.119 10.657 1.00 0.00 H new ATOM 988 N VAL A 121 -3.274 7.923 6.022 1.00 0.00 N ATOM 989 CA VAL A 121 -3.679 7.213 4.817 1.00 0.00 C ATOM 990 C VAL A 121 -3.642 8.143 3.609 1.00 0.00 C ATOM 991 O VAL A 121 -3.132 7.780 2.553 1.00 0.00 O ATOM 992 CB VAL A 121 -5.096 6.655 4.991 1.00 0.00 C ATOM 993 CG1 VAL A 121 -5.574 6.042 3.673 1.00 0.00 C ATOM 994 CG2 VAL A 121 -5.089 5.579 6.079 1.00 0.00 C ATOM 0 H VAL A 121 -4.000 8.005 6.734 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.982 6.392 4.650 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.769 7.463 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.582 5.646 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.580 6.807 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.901 5.235 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.096 5.181 6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.414 4.773 5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.752 6.015 7.020 1.00 0.00 H new ATOM 1004 N ASP A 122 -4.189 9.342 3.772 1.00 0.00 N ATOM 1005 CA ASP A 122 -4.217 10.308 2.680 1.00 0.00 C ATOM 1006 C ASP A 122 -2.805 10.621 2.199 1.00 0.00 C ATOM 1007 O ASP A 122 -2.525 10.592 1.000 1.00 0.00 O ATOM 1008 CB ASP A 122 -4.893 11.598 3.148 1.00 0.00 C ATOM 1009 CG ASP A 122 -5.161 12.510 1.955 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -5.007 12.049 0.836 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -5.520 13.655 2.178 1.00 0.00 O ATOM 0 H ASP A 122 -4.615 9.666 4.640 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.781 9.876 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.829 11.364 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.258 12.109 3.871 1.00 0.00 H new ATOM 1016 N GLU A 123 -1.921 10.920 3.141 1.00 0.00 N ATOM 1017 CA GLU A 123 -0.539 11.237 2.802 1.00 0.00 C ATOM 1018 C GLU A 123 0.167 10.017 2.226 1.00 0.00 C ATOM 1019 O GLU A 123 0.990 10.142 1.321 1.00 0.00 O ATOM 1020 CB GLU A 123 0.209 11.721 4.049 1.00 0.00 C ATOM 1021 CG GLU A 123 -0.393 13.044 4.528 1.00 0.00 C ATOM 1022 CD GLU A 123 -0.147 14.138 3.495 1.00 0.00 C ATOM 1023 OE1 GLU A 123 0.747 13.966 2.682 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -0.856 15.130 3.530 1.00 0.00 O ATOM 0 H GLU A 123 -2.133 10.950 4.138 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.543 12.027 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.142 10.973 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.267 11.852 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.464 12.926 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.049 13.329 5.483 1.00 0.00 H new ATOM 1031 N MET A 124 -0.154 8.843 2.761 1.00 0.00 N ATOM 1032 CA MET A 124 0.462 7.606 2.296 1.00 0.00 C ATOM 1033 C MET A 124 0.132 7.364 0.823 1.00 0.00 C ATOM 1034 O MET A 124 0.979 6.925 0.045 1.00 0.00 O ATOM 1035 CB MET A 124 -0.037 6.429 3.133 1.00 0.00 C ATOM 1036 CG MET A 124 0.673 5.150 2.685 1.00 0.00 C ATOM 1037 SD MET A 124 0.229 3.794 3.799 1.00 0.00 S ATOM 1038 CE MET A 124 1.344 2.551 3.102 1.00 0.00 C ATOM 0 H MET A 124 -0.833 8.723 3.512 1.00 0.00 H new ATOM 0 HA MET A 124 1.543 7.696 2.404 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.154 6.613 4.190 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.115 6.319 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.389 4.903 1.662 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.753 5.300 2.689 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.233 1.615 3.650 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.098 2.389 2.053 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.374 2.899 3.183 1.00 0.00 H new ATOM 1048 N ILE A 125 -1.112 7.633 0.448 1.00 0.00 N ATOM 1049 CA ILE A 125 -1.540 7.444 -0.924 1.00 0.00 C ATOM 1050 C ILE A 125 -0.847 8.433 -1.853 1.00 0.00 C ATOM 1051 O ILE A 125 -0.429 8.075 -2.949 1.00 0.00 O ATOM 1052 CB ILE A 125 -3.057 7.631 -1.029 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -3.756 6.511 -0.261 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -3.483 7.574 -2.501 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -5.240 6.847 -0.102 1.00 0.00 C ATOM 0 H ILE A 125 -1.837 7.981 1.075 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.270 6.432 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.333 8.598 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.642 5.566 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.294 6.385 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.562 7.707 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.982 8.367 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.208 6.607 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.737 6.047 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.344 7.783 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.697 6.951 -1.086 1.00 0.00 H new ATOM 1067 N ARG A 126 -0.751 9.686 -1.419 1.00 0.00 N ATOM 1068 CA ARG A 126 -0.139 10.721 -2.242 1.00 0.00 C ATOM 1069 C ARG A 126 1.323 10.411 -2.538 1.00 0.00 C ATOM 1070 O ARG A 126 1.777 10.542 -3.675 1.00 0.00 O ATOM 1071 CB ARG A 126 -0.231 12.072 -1.521 1.00 0.00 C ATOM 1072 CG ARG A 126 -1.684 12.556 -1.511 1.00 0.00 C ATOM 1073 CD ARG A 126 -1.774 13.896 -0.778 1.00 0.00 C ATOM 1074 NE ARG A 126 -3.143 14.397 -0.807 1.00 0.00 N ATOM 1075 CZ ARG A 126 -3.466 15.549 -0.227 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -2.879 16.654 -0.600 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -4.371 15.576 0.713 1.00 0.00 N ATOM 0 H ARG A 126 -1.086 10.006 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 126 -0.679 10.758 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.137 11.975 -0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.403 12.805 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.049 12.664 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.320 11.819 -1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.445 13.777 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.105 14.619 -1.244 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.865 13.854 -1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.173 16.633 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.126 17.538 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.831 14.713 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.618 16.460 1.158 1.00 0.00 H new ATOM 1091 N GLU A 127 2.050 9.998 -1.509 1.00 0.00 N ATOM 1092 CA GLU A 127 3.462 9.668 -1.665 1.00 0.00 C ATOM 1093 C GLU A 127 3.637 8.357 -2.414 1.00 0.00 C ATOM 1094 O GLU A 127 4.633 8.154 -3.110 1.00 0.00 O ATOM 1095 CB GLU A 127 4.139 9.589 -0.298 1.00 0.00 C ATOM 1096 CG GLU A 127 3.539 8.438 0.491 1.00 0.00 C ATOM 1097 CD GLU A 127 4.083 8.432 1.915 1.00 0.00 C ATOM 1098 OE1 GLU A 127 3.686 9.293 2.684 1.00 0.00 O ATOM 1099 OE2 GLU A 127 4.886 7.564 2.218 1.00 0.00 O ATOM 0 H GLU A 127 1.689 9.884 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 127 3.933 10.458 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.212 9.442 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.004 10.526 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.453 8.528 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.772 7.492 0.002 1.00 0.00 H new ATOM 1106 N ALA A 128 2.672 7.458 -2.252 1.00 0.00 N ATOM 1107 CA ALA A 128 2.735 6.154 -2.906 1.00 0.00 C ATOM 1108 C ALA A 128 2.191 6.237 -4.328 1.00 0.00 C ATOM 1109 O ALA A 128 2.613 5.485 -5.206 1.00 0.00 O ATOM 1110 CB ALA A 128 1.924 5.134 -2.105 1.00 0.00 C ATOM 0 H ALA A 128 1.842 7.606 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 128 3.778 5.839 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.974 4.163 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.334 5.053 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.885 5.459 -2.048 1.00 0.00 H new ATOM 1116 N ASP A 129 1.252 7.151 -4.545 1.00 0.00 N ATOM 1117 CA ASP A 129 0.655 7.318 -5.865 1.00 0.00 C ATOM 1118 C ASP A 129 1.691 7.824 -6.860 1.00 0.00 C ATOM 1119 O ASP A 129 2.212 8.931 -6.723 1.00 0.00 O ATOM 1120 CB ASP A 129 -0.511 8.305 -5.791 1.00 0.00 C ATOM 1121 CG ASP A 129 -1.172 8.432 -7.154 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -0.577 7.996 -8.123 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -2.266 8.962 -7.205 1.00 0.00 O ATOM 0 H ASP A 129 0.890 7.783 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 129 0.287 6.349 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -1.239 7.965 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.153 9.280 -5.459 1.00 0.00 H new ATOM 1128 N ILE A 130 1.990 7.001 -7.861 1.00 0.00 N ATOM 1129 CA ILE A 130 2.967 7.373 -8.874 1.00 0.00 C ATOM 1130 C ILE A 130 2.427 8.481 -9.771 1.00 0.00 C ATOM 1131 O ILE A 130 3.136 9.432 -10.099 1.00 0.00 O ATOM 1132 CB ILE A 130 3.328 6.155 -9.728 1.00 0.00 C ATOM 1133 CG1 ILE A 130 3.799 5.019 -8.815 1.00 0.00 C ATOM 1134 CG2 ILE A 130 4.454 6.522 -10.699 1.00 0.00 C ATOM 1135 CD1 ILE A 130 4.079 3.770 -9.652 1.00 0.00 C ATOM 0 H ILE A 130 1.572 6.079 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 130 3.859 7.739 -8.365 1.00 0.00 H new ATOM 0 HB ILE A 130 2.452 5.836 -10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 130 4.699 5.319 -8.279 1.00 0.00 H new ATOM 0 HG13 ILE A 130 3.039 4.803 -8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 130 4.709 5.653 -11.306 1.00 0.00 H new ATOM 0 HG22 ILE A 130 4.125 7.334 -11.348 1.00 0.00 H new ATOM 0 HG23 ILE A 130 5.331 6.841 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.414 2.963 -9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.168 3.466 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.855 3.990 -10.385 1.00 0.00 H new ATOM 1147 N ASP A 131 1.169 8.340 -10.184 1.00 0.00 N ATOM 1148 CA ASP A 131 0.545 9.325 -11.064 1.00 0.00 C ATOM 1149 C ASP A 131 -0.165 10.396 -10.252 1.00 0.00 C ATOM 1150 O ASP A 131 -0.869 11.241 -10.805 1.00 0.00 O ATOM 1151 CB ASP A 131 -0.457 8.632 -11.991 1.00 0.00 C ATOM 1152 CG ASP A 131 -1.478 7.852 -11.172 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -1.802 8.302 -10.087 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -1.928 6.822 -11.645 1.00 0.00 O ATOM 0 H ASP A 131 0.566 7.559 -9.926 1.00 0.00 H new ATOM 0 HA ASP A 131 1.325 9.799 -11.660 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.965 9.373 -12.609 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.068 7.958 -12.668 1.00 0.00 H new ATOM 1159 N GLY A 132 0.025 10.361 -8.936 1.00 0.00 N ATOM 1160 CA GLY A 132 -0.595 11.349 -8.060 1.00 0.00 C ATOM 1161 C GLY A 132 -2.035 11.618 -8.479 1.00 0.00 C ATOM 1162 O GLY A 132 -2.503 12.754 -8.419 1.00 0.00 O ATOM 0 H GLY A 132 0.598 9.666 -8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.572 10.993 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.024 12.277 -8.090 1.00 0.00 H new ATOM 1166 N ASP A 133 -2.728 10.572 -8.917 1.00 0.00 N ATOM 1167 CA ASP A 133 -4.113 10.713 -9.354 1.00 0.00 C ATOM 1168 C ASP A 133 -5.060 10.621 -8.163 1.00 0.00 C ATOM 1169 O ASP A 133 -6.273 10.761 -8.311 1.00 0.00 O ATOM 1170 CB ASP A 133 -4.454 9.622 -10.371 1.00 0.00 C ATOM 1171 CG ASP A 133 -4.445 8.260 -9.691 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -4.027 8.203 -8.551 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -4.851 7.299 -10.323 1.00 0.00 O ATOM 0 H ASP A 133 -2.357 9.624 -8.979 1.00 0.00 H new ATOM 0 HA ASP A 133 -4.231 11.691 -9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -5.434 9.814 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -3.732 9.635 -11.188 1.00 0.00 H new ATOM 1178 N GLY A 134 -4.498 10.387 -6.982 1.00 0.00 N ATOM 1179 CA GLY A 134 -5.302 10.283 -5.771 1.00 0.00 C ATOM 1180 C GLY A 134 -5.969 8.921 -5.672 1.00 0.00 C ATOM 1181 O GLY A 134 -6.593 8.597 -4.662 1.00 0.00 O ATOM 0 H GLY A 134 -3.495 10.267 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -4.672 10.447 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -6.062 11.065 -5.767 1.00 0.00 H new ATOM 1185 N GLN A 135 -5.834 8.118 -6.726 1.00 0.00 N ATOM 1186 CA GLN A 135 -6.430 6.781 -6.750 1.00 0.00 C ATOM 1187 C GLN A 135 -5.409 5.750 -7.211 1.00 0.00 C ATOM 1188 O GLN A 135 -4.566 6.025 -8.060 1.00 0.00 O ATOM 1189 CB GLN A 135 -7.637 6.770 -7.691 1.00 0.00 C ATOM 1190 CG GLN A 135 -8.245 5.368 -7.718 1.00 0.00 C ATOM 1191 CD GLN A 135 -9.581 5.393 -8.452 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -9.767 4.608 -9.477 1.00 0.00 O flip ATOM 1193 NE2 GLN A 135 -10.477 6.152 -8.085 1.00 0.00 N flip ATOM 0 H GLN A 135 -5.320 8.367 -7.571 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.754 6.525 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.380 7.494 -7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.332 7.066 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.562 4.676 -8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -8.387 5.004 -6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.330 6.765 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.367 6.168 -8.582 1.00 0.00 H new ATOM 1202 N VAL A 136 -5.491 4.551 -6.646 1.00 0.00 N ATOM 1203 CA VAL A 136 -4.564 3.482 -7.009 1.00 0.00 C ATOM 1204 C VAL A 136 -5.152 2.631 -8.125 1.00 0.00 C ATOM 1205 O VAL A 136 -6.252 2.095 -8.000 1.00 0.00 O ATOM 1206 CB VAL A 136 -4.285 2.604 -5.790 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -3.369 1.447 -6.194 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -3.600 3.440 -4.707 1.00 0.00 C ATOM 0 H VAL A 136 -6.182 4.294 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.632 3.929 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 136 -5.224 2.207 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.170 0.820 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.855 0.851 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.429 1.844 -6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.400 2.815 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.660 3.836 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -4.251 4.266 -4.419 1.00 0.00 H new ATOM 1218 N ASN A 137 -4.409 2.509 -9.222 1.00 0.00 N ATOM 1219 CA ASN A 137 -4.857 1.716 -10.366 1.00 0.00 C ATOM 1220 C ASN A 137 -4.229 0.327 -10.338 1.00 0.00 C ATOM 1221 O ASN A 137 -3.333 0.056 -9.539 1.00 0.00 O ATOM 1222 CB ASN A 137 -4.485 2.423 -11.668 1.00 0.00 C ATOM 1223 CG ASN A 137 -5.237 3.746 -11.776 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -4.621 4.801 -11.924 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -6.541 3.752 -11.713 1.00 0.00 N ATOM 0 H ASN A 137 -3.496 2.947 -9.344 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.940 1.610 -10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.410 2.602 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.727 1.787 -12.519 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.051 4.632 -11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.050 2.876 -11.590 1.00 0.00 H new ATOM 1232 N TYR A 138 -4.705 -0.548 -11.217 1.00 0.00 N ATOM 1233 CA TYR A 138 -4.182 -1.908 -11.285 1.00 0.00 C ATOM 1234 C TYR A 138 -2.698 -1.891 -11.639 1.00 0.00 C ATOM 1235 O TYR A 138 -1.889 -2.565 -11.001 1.00 0.00 O ATOM 1236 CB TYR A 138 -4.950 -2.708 -12.336 1.00 0.00 C ATOM 1237 CG TYR A 138 -4.367 -4.098 -12.439 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -4.584 -5.023 -11.409 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -3.609 -4.463 -13.557 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -4.043 -6.312 -11.500 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -3.069 -5.751 -13.647 1.00 0.00 C ATOM 1242 CZ TYR A 138 -3.286 -6.676 -12.619 1.00 0.00 C ATOM 1243 OH TYR A 138 -2.753 -7.945 -12.709 1.00 0.00 O ATOM 0 H TYR A 138 -5.446 -0.343 -11.887 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.307 -2.377 -10.309 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.005 -2.764 -12.066 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.894 -2.207 -13.302 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -5.168 -4.742 -10.545 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -3.441 -3.750 -14.351 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.210 -7.025 -10.706 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.484 -6.032 -14.511 1.00 0.00 H new ATOM 0 HH TYR A 138 -2.257 -8.032 -13.549 1.00 0.00 H new ATOM 1253 N GLU A 139 -2.349 -1.116 -12.659 1.00 0.00 N ATOM 1254 CA GLU A 139 -0.957 -1.017 -13.091 1.00 0.00 C ATOM 1255 C GLU A 139 -0.083 -0.503 -11.951 1.00 0.00 C ATOM 1256 O GLU A 139 1.030 -0.985 -11.744 1.00 0.00 O ATOM 1257 CB GLU A 139 -0.846 -0.070 -14.286 1.00 0.00 C ATOM 1258 CG GLU A 139 -1.534 -0.697 -15.500 1.00 0.00 C ATOM 1259 CD GLU A 139 -1.515 0.279 -16.672 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -0.919 1.334 -16.530 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -2.100 -0.041 -17.693 1.00 0.00 O ATOM 0 H GLU A 139 -3.003 -0.551 -13.200 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.614 -2.010 -13.383 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.307 0.888 -14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.202 0.128 -14.511 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.028 -1.622 -15.778 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.562 -0.959 -15.251 1.00 0.00 H new ATOM 1268 N GLU A 140 -0.595 0.475 -11.212 1.00 0.00 N ATOM 1269 CA GLU A 140 0.153 1.039 -10.094 1.00 0.00 C ATOM 1270 C GLU A 140 0.299 0.010 -8.977 1.00 0.00 C ATOM 1271 O GLU A 140 1.372 -0.133 -8.392 1.00 0.00 O ATOM 1272 CB GLU A 140 -0.575 2.290 -9.561 1.00 0.00 C ATOM 1273 CG GLU A 140 -0.020 3.544 -10.241 1.00 0.00 C ATOM 1274 CD GLU A 140 -0.899 4.743 -9.923 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -2.094 4.551 -9.765 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -0.366 5.836 -9.840 1.00 0.00 O ATOM 0 H GLU A 140 -1.514 0.890 -11.364 1.00 0.00 H new ATOM 0 HA GLU A 140 1.147 1.319 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.645 2.207 -9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.446 2.364 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.999 3.730 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.026 3.392 -11.319 1.00 0.00 H new ATOM 1283 N PHE A 141 -0.788 -0.693 -8.679 1.00 0.00 N ATOM 1284 CA PHE A 141 -0.762 -1.693 -7.620 1.00 0.00 C ATOM 1285 C PHE A 141 0.255 -2.783 -7.947 1.00 0.00 C ATOM 1286 O PHE A 141 1.097 -3.126 -7.117 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.153 -2.311 -7.460 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.088 -3.463 -6.481 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -1.685 -3.233 -5.159 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -2.422 -4.759 -6.894 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -1.618 -4.297 -4.253 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -2.355 -5.822 -5.988 1.00 0.00 C ATOM 1293 CZ PHE A 141 -1.954 -5.593 -4.667 1.00 0.00 C ATOM 0 H PHE A 141 -1.687 -0.591 -9.149 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.471 -1.211 -6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.857 -1.559 -7.105 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -2.520 -2.661 -8.425 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.426 -2.234 -4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.732 -4.937 -7.913 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.307 -4.119 -3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.613 -6.821 -6.308 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.904 -6.414 -3.967 1.00 0.00 H new ATOM 1303 N VAL A 142 0.164 -3.326 -9.153 1.00 0.00 N ATOM 1304 CA VAL A 142 1.074 -4.383 -9.571 1.00 0.00 C ATOM 1305 C VAL A 142 2.512 -3.894 -9.485 1.00 0.00 C ATOM 1306 O VAL A 142 3.389 -4.612 -9.011 1.00 0.00 O ATOM 1307 CB VAL A 142 0.760 -4.804 -11.009 1.00 0.00 C ATOM 1308 CG1 VAL A 142 1.812 -5.807 -11.495 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -0.624 -5.454 -11.062 1.00 0.00 C ATOM 0 H VAL A 142 -0.525 -3.055 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 142 0.946 -5.240 -8.910 1.00 0.00 H new ATOM 0 HB VAL A 142 0.774 -3.924 -11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.585 -6.105 -12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.798 -5.345 -11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.801 -6.686 -10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -0.846 -5.753 -12.086 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.639 -6.332 -10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.374 -4.740 -10.721 1.00 0.00 H new ATOM 1319 N GLN A 143 2.753 -2.670 -9.948 1.00 0.00 N ATOM 1320 CA GLN A 143 4.098 -2.113 -9.914 1.00 0.00 C ATOM 1321 C GLN A 143 4.601 -2.019 -8.475 1.00 0.00 C ATOM 1322 O GLN A 143 5.711 -2.452 -8.169 1.00 0.00 O ATOM 1323 CB GLN A 143 4.088 -0.713 -10.541 1.00 0.00 C ATOM 1324 CG GLN A 143 5.521 -0.189 -10.659 1.00 0.00 C ATOM 1325 CD GLN A 143 6.301 -1.034 -11.659 1.00 0.00 C ATOM 1326 OE1 GLN A 143 5.762 -1.430 -12.692 1.00 0.00 O ATOM 1327 NE2 GLN A 143 7.544 -1.341 -11.410 1.00 0.00 N ATOM 0 H GLN A 143 2.044 -2.054 -10.346 1.00 0.00 H new ATOM 0 HA GLN A 143 4.763 -2.767 -10.478 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.622 -0.749 -11.526 1.00 0.00 H new ATOM 0 HB3 GLN A 143 3.492 -0.035 -9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.511 0.853 -10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.010 -0.219 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.989 -1.012 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.071 -1.910 -12.072 1.00 0.00 H new ATOM 1336 N MET A 144 3.777 -1.459 -7.599 1.00 0.00 N ATOM 1337 CA MET A 144 4.148 -1.321 -6.197 1.00 0.00 C ATOM 1338 C MET A 144 4.291 -2.692 -5.544 1.00 0.00 C ATOM 1339 O MET A 144 5.133 -2.893 -4.670 1.00 0.00 O ATOM 1340 CB MET A 144 3.095 -0.506 -5.446 1.00 0.00 C ATOM 1341 CG MET A 144 3.149 0.952 -5.907 1.00 0.00 C ATOM 1342 SD MET A 144 2.065 1.958 -4.863 1.00 0.00 S ATOM 1343 CE MET A 144 0.486 1.362 -5.512 1.00 0.00 C ATOM 0 H MET A 144 2.853 -1.095 -7.832 1.00 0.00 H new ATOM 0 HA MET A 144 5.105 -0.802 -6.149 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.103 -0.919 -5.628 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.273 -0.565 -4.372 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.172 1.324 -5.852 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.839 1.026 -6.949 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.319 2.005 -5.157 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.511 1.380 -6.602 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.314 0.342 -5.169 1.00 0.00 H new ATOM 1353 N MET A 145 3.458 -3.628 -5.977 1.00 0.00 N ATOM 1354 CA MET A 145 3.496 -4.976 -5.433 1.00 0.00 C ATOM 1355 C MET A 145 4.689 -5.754 -5.970 1.00 0.00 C ATOM 1356 O MET A 145 5.327 -6.516 -5.243 1.00 0.00 O ATOM 1357 CB MET A 145 2.205 -5.719 -5.781 1.00 0.00 C ATOM 1358 CG MET A 145 2.256 -7.140 -5.204 1.00 0.00 C ATOM 1359 SD MET A 145 3.006 -8.257 -6.418 1.00 0.00 S ATOM 1360 CE MET A 145 3.901 -9.308 -5.248 1.00 0.00 C ATOM 0 H MET A 145 2.753 -3.479 -6.699 1.00 0.00 H new ATOM 0 HA MET A 145 3.594 -4.897 -4.350 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.345 -5.183 -5.378 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.077 -5.759 -6.863 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.834 -7.148 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.251 -7.479 -4.954 1.00 0.00 H new ATOM 0 HE1 MET A 145 4.935 -9.419 -5.575 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.881 -8.851 -4.259 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.427 -10.289 -5.204 1.00 0.00 H new ATOM 1370 N THR A 146 4.979 -5.570 -7.252 1.00 0.00 N ATOM 1371 CA THR A 146 6.089 -6.268 -7.891 1.00 0.00 C ATOM 1372 C THR A 146 7.314 -5.367 -7.981 1.00 0.00 C ATOM 1373 O THR A 146 8.263 -5.659 -8.707 1.00 0.00 O ATOM 1374 CB THR A 146 5.683 -6.730 -9.293 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.484 -7.490 -9.211 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.797 -7.595 -9.909 1.00 0.00 C ATOM 0 H THR A 146 4.462 -4.944 -7.870 1.00 0.00 H new ATOM 0 HA THR A 146 6.340 -7.137 -7.284 1.00 0.00 H new ATOM 0 HB THR A 146 5.523 -5.856 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 146 4.262 -7.651 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.498 -7.918 -10.906 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.715 -7.011 -9.977 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.968 -8.469 -9.281 1.00 0.00 H new ATOM 1384 N ALA A 147 7.286 -4.266 -7.243 1.00 0.00 N ATOM 1385 CA ALA A 147 8.401 -3.326 -7.258 1.00 0.00 C ATOM 1386 C ALA A 147 9.694 -4.031 -6.876 1.00 0.00 C ATOM 1387 O ALA A 147 9.748 -4.753 -5.881 1.00 0.00 O ATOM 1388 CB ALA A 147 8.133 -2.189 -6.269 1.00 0.00 C ATOM 0 H ALA A 147 6.513 -4.002 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 147 8.501 -2.921 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 147 8.969 -1.489 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 147 7.219 -1.668 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 147 8.021 -2.599 -5.265 1.00 0.00 H new ATOM 1394 N LYS A 148 10.737 -3.817 -7.677 1.00 0.00 N ATOM 1395 CA LYS A 148 12.032 -4.439 -7.420 1.00 0.00 C ATOM 1396 C LYS A 148 11.856 -5.876 -6.933 1.00 0.00 C ATOM 1397 O LYS A 148 11.844 -6.073 -5.727 1.00 0.00 O ATOM 1398 CB LYS A 148 12.796 -3.633 -6.373 1.00 0.00 C ATOM 1399 CG LYS A 148 14.247 -4.116 -6.314 1.00 0.00 C ATOM 1400 CD LYS A 148 15.057 -3.196 -5.396 1.00 0.00 C ATOM 1401 CE LYS A 148 14.616 -3.388 -3.942 1.00 0.00 C ATOM 1402 NZ LYS A 148 15.644 -2.821 -3.032 1.00 0.00 N ATOM 1403 OXT LYS A 148 11.727 -6.753 -7.769 1.00 0.00 O ATOM 0 H LYS A 148 10.710 -3.221 -8.504 1.00 0.00 H new ATOM 0 HA LYS A 148 12.597 -4.454 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 148 12.765 -2.572 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 148 12.324 -3.746 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 148 14.285 -5.141 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 148 14.680 -4.122 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 148 16.120 -3.415 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 148 14.917 -2.157 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.657 -2.898 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 148 14.474 -4.448 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 15.344 -2.952 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 16.550 -3.308 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 15.759 -1.806 -3.227 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -12.576 -1.501 -5.771 1.00 0.00 CA HETATM 1419 CA CA A 150 -2.285 6.745 -8.572 1.00 0.00 CA