USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 143 CYS SG : rot -9:sc= -0.89! USER MOD Set 1.2: B 473 CYS SG : rot 71:sc= 1.1 USER MOD Set 2.1: A 90 GLN : amide:sc= 0 X(o=0.16,f=-0.17) USER MOD Set 2.2: A 91 ASN : amide:sc= 0.158 K(o=0.16,f=-5.1!) USER MOD Single : A 88 SER OG : rot 161:sc= -2.91! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.24) USER MOD Single : A 98 SER OG : rot -50:sc= 0.824 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.1 K(o=1.1,f=-0.095) USER MOD Single : A 109 HIS : no HD1:sc= 0.299 K(o=0.3,f=-5!) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.262 F(o=-3.2!,f=-0.26) USER MOD Single : A 114 MET CE :methyl 148:sc= -2.16! (180deg=-3.64!) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 119 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.82) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 163:sc= 0.759 (180deg=0.568) USER MOD Single : A 127 MET CE :methyl 164:sc= -0.936 (180deg=-1.9) USER MOD Single : A 130 TYR OH : rot 151:sc= -0.418 USER MOD Single : A 131 MET CE :methyl 149:sc= -4.08! (180deg=-4.38!) USER MOD Single : A 132 GLN : amide:sc= 0.529 K(o=0.53,f=0) USER MOD Single : A 142 CYS SG : rot 83:sc= -0.141 USER MOD Single : B 465 HIS :FLIP no HE2:sc= -0.267 F(o=-2.3!,f=-0.27) USER MOD Single : B 468 ASN : amide:sc= 0.43 X(o=0.43,f=0) USER MOD Single : B 472 GLN : amide:sc= -1.04 X(o=-1,f=-0.73) USER MOD Single : B 476 TYR OH : rot 30:sc= 0 USER MOD Single : B 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 480 LYS NZ :NH3+ -148:sc= -0.605 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -0.627 -11.654 -0.311 1.00 0.00 N ATOM 71 CA ARG A 86 -0.206 -10.604 -1.223 1.00 0.00 C ATOM 72 C ARG A 86 -1.259 -10.389 -2.303 1.00 0.00 C ATOM 73 O ARG A 86 -2.147 -11.219 -2.498 1.00 0.00 O ATOM 74 CB ARG A 86 1.161 -10.912 -1.841 1.00 0.00 C ATOM 75 CG ARG A 86 1.199 -12.148 -2.722 1.00 0.00 C ATOM 76 CD ARG A 86 2.602 -12.382 -3.256 1.00 0.00 C ATOM 77 NE ARG A 86 2.680 -13.538 -4.146 1.00 0.00 N ATOM 78 CZ ARG A 86 3.805 -14.218 -4.373 1.00 0.00 C ATOM 79 NH1 ARG A 86 4.916 -13.907 -3.717 1.00 0.00 N ATOM 80 NH2 ARG A 86 3.817 -15.223 -5.236 1.00 0.00 N ATOM 0 HA ARG A 86 -0.102 -9.682 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.479 -10.053 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.888 -11.033 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.871 -13.017 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.503 -12.031 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.936 -11.493 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.286 -12.526 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 86 1.829 -13.841 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.911 -13.146 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.775 -14.429 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.963 -15.480 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.680 -15.739 -5.406 1.00 0.00 H new ATOM 94 N VAL A 87 -1.161 -9.261 -2.982 1.00 0.00 N ATOM 95 CA VAL A 87 -2.150 -8.869 -3.973 1.00 0.00 C ATOM 96 C VAL A 87 -1.565 -8.955 -5.376 1.00 0.00 C ATOM 97 O VAL A 87 -0.428 -8.539 -5.608 1.00 0.00 O ATOM 98 CB VAL A 87 -2.647 -7.430 -3.717 1.00 0.00 C ATOM 99 CG1 VAL A 87 -3.727 -7.045 -4.715 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.159 -7.281 -2.293 1.00 0.00 C ATOM 0 H VAL A 87 -0.399 -8.593 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.992 -9.556 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.803 -6.754 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.061 -6.027 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.325 -7.102 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.570 -7.729 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.504 -6.259 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.986 -7.972 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.355 -7.505 -1.592 1.00 0.00 H new ATOM 110 N SER A 88 -2.343 -9.509 -6.296 1.00 0.00 N ATOM 111 CA SER A 88 -1.949 -9.599 -7.692 1.00 0.00 C ATOM 112 C SER A 88 -1.789 -8.212 -8.292 1.00 0.00 C ATOM 113 O SER A 88 -2.544 -7.289 -7.974 1.00 0.00 O ATOM 114 CB SER A 88 -2.999 -10.368 -8.488 1.00 0.00 C ATOM 115 OG SER A 88 -2.609 -10.511 -9.842 1.00 0.00 O ATOM 0 H SER A 88 -3.261 -9.907 -6.095 1.00 0.00 H new ATOM 0 HA SER A 88 -0.995 -10.124 -7.741 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.148 -11.352 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.954 -9.846 -8.435 1.00 0.00 H new ATOM 0 HG SER A 88 -3.117 -11.242 -10.253 1.00 0.00 H new ATOM 121 N LEU A 89 -0.810 -8.085 -9.176 1.00 0.00 N ATOM 122 CA LEU A 89 -0.532 -6.825 -9.837 1.00 0.00 C ATOM 123 C LEU A 89 -1.699 -6.407 -10.718 1.00 0.00 C ATOM 124 O LEU A 89 -1.850 -5.229 -11.034 1.00 0.00 O ATOM 125 CB LEU A 89 0.742 -6.927 -10.657 1.00 0.00 C ATOM 126 CG LEU A 89 1.743 -5.800 -10.396 1.00 0.00 C ATOM 127 CD1 LEU A 89 3.105 -6.180 -10.923 1.00 0.00 C ATOM 128 CD2 LEU A 89 1.275 -4.499 -11.031 1.00 0.00 C ATOM 0 H LEU A 89 -0.192 -8.848 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.393 -6.062 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.223 -7.882 -10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.481 -6.929 -11.715 1.00 0.00 H new ATOM 0 HG LEU A 89 1.811 -5.647 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.808 -5.370 -10.731 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.449 -7.085 -10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.043 -6.360 -11.996 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.004 -3.714 -10.831 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.175 -4.635 -12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.311 -4.215 -10.610 1.00 0.00 H new ATOM 140 N GLN A 90 -2.536 -7.369 -11.104 1.00 0.00 N ATOM 141 CA GLN A 90 -3.716 -7.053 -11.905 1.00 0.00 C ATOM 142 C GLN A 90 -4.690 -6.219 -11.081 1.00 0.00 C ATOM 143 O GLN A 90 -5.284 -5.266 -11.579 1.00 0.00 O ATOM 144 CB GLN A 90 -4.411 -8.319 -12.421 1.00 0.00 C ATOM 145 CG GLN A 90 -4.938 -9.228 -11.326 1.00 0.00 C ATOM 146 CD GLN A 90 -5.756 -10.384 -11.860 1.00 0.00 C ATOM 147 OE1 GLN A 90 -5.517 -10.881 -12.961 1.00 0.00 O ATOM 148 NE2 GLN A 90 -6.734 -10.814 -11.083 1.00 0.00 N ATOM 0 H GLN A 90 -2.422 -8.357 -10.879 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.388 -6.482 -12.774 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.240 -8.028 -13.067 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.709 -8.880 -13.037 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.099 -9.619 -10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.550 -8.643 -10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.897 -10.373 -10.178 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.326 -11.587 -11.388 1.00 0.00 H new ATOM 157 N ASN A 91 -4.822 -6.575 -9.807 1.00 0.00 N ATOM 158 CA ASN A 91 -5.678 -5.844 -8.882 1.00 0.00 C ATOM 159 C ASN A 91 -5.080 -4.480 -8.584 1.00 0.00 C ATOM 160 O ASN A 91 -5.797 -3.493 -8.424 1.00 0.00 O ATOM 161 CB ASN A 91 -5.838 -6.624 -7.573 1.00 0.00 C ATOM 162 CG ASN A 91 -6.717 -7.854 -7.710 1.00 0.00 C ATOM 163 OD1 ASN A 91 -6.877 -8.407 -8.798 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.270 -8.308 -6.595 1.00 0.00 N ATOM 0 H ASN A 91 -4.342 -7.373 -9.390 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.656 -5.718 -9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.854 -6.927 -7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.262 -5.965 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.853 -9.145 -6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.113 -7.821 -5.713 1.00 0.00 H new ATOM 171 N LEU A 92 -3.756 -4.440 -8.530 1.00 0.00 N ATOM 172 CA LEU A 92 -3.036 -3.219 -8.204 1.00 0.00 C ATOM 173 C LEU A 92 -3.142 -2.210 -9.340 1.00 0.00 C ATOM 174 O LEU A 92 -3.279 -1.016 -9.104 1.00 0.00 O ATOM 175 CB LEU A 92 -1.565 -3.535 -7.906 1.00 0.00 C ATOM 176 CG LEU A 92 -1.334 -4.530 -6.767 1.00 0.00 C ATOM 177 CD1 LEU A 92 0.151 -4.815 -6.600 1.00 0.00 C ATOM 178 CD2 LEU A 92 -1.920 -3.995 -5.469 1.00 0.00 C ATOM 0 H LEU A 92 -3.156 -5.245 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.488 -2.780 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.103 -3.929 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.051 -2.605 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.838 -5.463 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.296 -5.525 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.547 -5.237 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.676 -3.888 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.748 -4.714 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.441 -3.049 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.992 -3.838 -5.591 1.00 0.00 H new ATOM 190 N LYS A 93 -3.099 -2.698 -10.575 1.00 0.00 N ATOM 191 CA LYS A 93 -3.191 -1.831 -11.751 1.00 0.00 C ATOM 192 C LYS A 93 -4.520 -1.082 -11.802 1.00 0.00 C ATOM 193 O LYS A 93 -4.628 -0.031 -12.435 1.00 0.00 O ATOM 194 CB LYS A 93 -3.014 -2.646 -13.030 1.00 0.00 C ATOM 195 CG LYS A 93 -1.577 -3.071 -13.285 1.00 0.00 C ATOM 196 CD LYS A 93 -1.443 -3.826 -14.597 1.00 0.00 C ATOM 197 CE LYS A 93 -0.002 -4.229 -14.859 1.00 0.00 C ATOM 198 NZ LYS A 93 0.156 -4.944 -16.153 1.00 0.00 N ATOM 0 H LYS A 93 -3.001 -3.690 -10.791 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.390 -1.096 -11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.643 -3.535 -12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.366 -2.058 -13.878 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.934 -2.191 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.232 -3.701 -12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.073 -4.715 -14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.803 -3.203 -15.416 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.628 -3.339 -14.858 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.348 -4.868 -14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.155 -5.199 -16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.424 -5.807 -16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.152 -4.326 -16.931 1.00 0.00 H new ATOM 212 N ASN A 94 -5.521 -1.622 -11.124 1.00 0.00 N ATOM 213 CA ASN A 94 -6.853 -1.030 -11.116 1.00 0.00 C ATOM 214 C ASN A 94 -6.905 0.156 -10.161 1.00 0.00 C ATOM 215 O ASN A 94 -7.802 0.995 -10.246 1.00 0.00 O ATOM 216 CB ASN A 94 -7.893 -2.073 -10.695 1.00 0.00 C ATOM 217 CG ASN A 94 -7.881 -3.314 -11.569 1.00 0.00 C ATOM 218 OD1 ASN A 94 -7.646 -3.248 -12.774 1.00 0.00 O ATOM 219 ND2 ASN A 94 -8.110 -4.463 -10.957 1.00 0.00 N ATOM 0 H ASN A 94 -5.437 -2.474 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.079 -0.683 -12.124 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.709 -2.363 -9.660 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.885 -1.622 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.095 -5.335 -11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.301 -4.478 -9.955 1.00 0.00 H new ATOM 226 N LEU A 95 -5.931 0.227 -9.259 1.00 0.00 N ATOM 227 CA LEU A 95 -5.870 1.300 -8.271 1.00 0.00 C ATOM 228 C LEU A 95 -5.739 2.653 -8.954 1.00 0.00 C ATOM 229 O LEU A 95 -6.469 3.594 -8.639 1.00 0.00 O ATOM 230 CB LEU A 95 -4.687 1.090 -7.321 1.00 0.00 C ATOM 231 CG LEU A 95 -4.760 -0.160 -6.444 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.472 -0.335 -5.662 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.945 -0.085 -5.498 1.00 0.00 C ATOM 0 H LEU A 95 -5.170 -0.449 -9.192 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.797 1.280 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.772 1.045 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.605 1.963 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.894 -1.025 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.541 -1.229 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.637 -0.437 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.312 0.535 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.978 -0.985 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.843 0.790 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.867 -0.006 -6.075 1.00 0.00 H new ATOM 245 N GLY A 96 -4.829 2.733 -9.916 1.00 0.00 N ATOM 246 CA GLY A 96 -4.589 3.981 -10.612 1.00 0.00 C ATOM 247 C GLY A 96 -5.745 4.386 -11.504 1.00 0.00 C ATOM 248 O GLY A 96 -5.805 5.525 -11.975 1.00 0.00 O ATOM 0 H GLY A 96 -4.251 1.952 -10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.405 4.770 -9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.686 3.888 -11.215 1.00 0.00 H new ATOM 252 N GLU A 97 -6.674 3.464 -11.726 1.00 0.00 N ATOM 253 CA GLU A 97 -7.805 3.722 -12.600 1.00 0.00 C ATOM 254 C GLU A 97 -8.944 4.385 -11.834 1.00 0.00 C ATOM 255 O GLU A 97 -9.774 5.083 -12.419 1.00 0.00 O ATOM 256 CB GLU A 97 -8.307 2.422 -13.228 1.00 0.00 C ATOM 257 CG GLU A 97 -7.205 1.556 -13.817 1.00 0.00 C ATOM 258 CD GLU A 97 -7.732 0.548 -14.815 1.00 0.00 C ATOM 259 OE1 GLU A 97 -7.575 0.778 -16.032 1.00 0.00 O ATOM 260 OE2 GLU A 97 -8.307 -0.474 -14.392 1.00 0.00 O ATOM 0 H GLU A 97 -6.664 2.532 -11.312 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.468 4.396 -13.388 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.842 1.848 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.025 2.662 -14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.467 2.194 -14.304 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.690 1.031 -13.012 1.00 0.00 H new ATOM 267 N SER A 98 -8.975 4.172 -10.526 1.00 0.00 N ATOM 268 CA SER A 98 -10.039 4.714 -9.696 1.00 0.00 C ATOM 269 C SER A 98 -9.770 6.179 -9.376 1.00 0.00 C ATOM 270 O SER A 98 -8.706 6.531 -8.855 1.00 0.00 O ATOM 271 CB SER A 98 -10.178 3.897 -8.407 1.00 0.00 C ATOM 272 OG SER A 98 -8.986 3.924 -7.640 1.00 0.00 O ATOM 0 H SER A 98 -8.277 3.629 -10.018 1.00 0.00 H new ATOM 0 HA SER A 98 -10.977 4.650 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.002 4.291 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.428 2.866 -8.655 1.00 0.00 H new ATOM 0 HG SER A 98 -8.223 3.701 -8.213 1.00 0.00 H new ATOM 278 N ALA A 99 -10.735 7.028 -9.702 1.00 0.00 N ATOM 279 CA ALA A 99 -10.609 8.461 -9.488 1.00 0.00 C ATOM 280 C ALA A 99 -10.604 8.794 -8.004 1.00 0.00 C ATOM 281 O ALA A 99 -10.029 9.798 -7.585 1.00 0.00 O ATOM 282 CB ALA A 99 -11.737 9.200 -10.188 1.00 0.00 C ATOM 0 H ALA A 99 -11.621 6.744 -10.120 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.658 8.783 -9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.630 10.272 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.697 8.995 -11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.694 8.864 -9.790 1.00 0.00 H new ATOM 288 N THR A 100 -11.231 7.936 -7.214 1.00 0.00 N ATOM 289 CA THR A 100 -11.328 8.151 -5.782 1.00 0.00 C ATOM 290 C THR A 100 -9.963 8.019 -5.114 1.00 0.00 C ATOM 291 O THR A 100 -9.553 8.884 -4.340 1.00 0.00 O ATOM 292 CB THR A 100 -12.302 7.152 -5.136 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.529 7.115 -5.880 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.584 7.541 -3.693 1.00 0.00 C ATOM 0 H THR A 100 -11.681 7.082 -7.544 1.00 0.00 H new ATOM 0 HA THR A 100 -11.704 9.164 -5.635 1.00 0.00 H new ATOM 0 HB THR A 100 -11.845 6.163 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.144 6.476 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.275 6.823 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.652 7.543 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.027 8.536 -3.664 1.00 0.00 H new ATOM 302 N LEU A 101 -9.248 6.948 -5.442 1.00 0.00 N ATOM 303 CA LEU A 101 -7.980 6.657 -4.792 1.00 0.00 C ATOM 304 C LEU A 101 -6.938 7.696 -5.171 1.00 0.00 C ATOM 305 O LEU A 101 -6.290 8.278 -4.307 1.00 0.00 O ATOM 306 CB LEU A 101 -7.482 5.260 -5.167 1.00 0.00 C ATOM 307 CG LEU A 101 -6.164 4.842 -4.508 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.326 4.737 -3.000 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.670 3.526 -5.084 1.00 0.00 C ATOM 0 H LEU A 101 -9.526 6.270 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.140 6.691 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.250 4.534 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.360 5.213 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.420 5.610 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.378 4.439 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.629 5.704 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.087 3.993 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.733 3.247 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.414 2.749 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.508 3.636 -6.156 1.00 0.00 H new ATOM 321 N ARG A 102 -6.803 7.946 -6.466 1.00 0.00 N ATOM 322 CA ARG A 102 -5.814 8.894 -6.962 1.00 0.00 C ATOM 323 C ARG A 102 -6.059 10.296 -6.408 1.00 0.00 C ATOM 324 O ARG A 102 -5.122 11.075 -6.252 1.00 0.00 O ATOM 325 CB ARG A 102 -5.822 8.937 -8.488 1.00 0.00 C ATOM 326 CG ARG A 102 -7.194 9.205 -9.074 1.00 0.00 C ATOM 327 CD ARG A 102 -7.102 9.703 -10.502 1.00 0.00 C ATOM 328 NE ARG A 102 -6.511 8.706 -11.391 1.00 0.00 N ATOM 329 CZ ARG A 102 -6.361 8.875 -12.704 1.00 0.00 C ATOM 330 NH1 ARG A 102 -6.706 10.025 -13.274 1.00 0.00 N ATOM 331 NH2 ARG A 102 -5.860 7.894 -13.445 1.00 0.00 N ATOM 0 H ARG A 102 -7.366 7.505 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.837 8.552 -6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.133 9.711 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.449 7.988 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.788 8.292 -9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.713 9.943 -8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.098 9.963 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.505 10.614 -10.531 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.194 7.827 -10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.087 10.782 -12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.590 10.151 -14.280 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.590 7.012 -13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.745 8.022 -14.450 1.00 0.00 H new ATOM 345 N SER A 103 -7.314 10.605 -6.091 1.00 0.00 N ATOM 346 CA SER A 103 -7.665 11.916 -5.569 1.00 0.00 C ATOM 347 C SER A 103 -7.084 12.093 -4.168 1.00 0.00 C ATOM 348 O SER A 103 -6.855 13.213 -3.707 1.00 0.00 O ATOM 349 CB SER A 103 -9.186 12.084 -5.550 1.00 0.00 C ATOM 350 OG SER A 103 -9.553 13.436 -5.329 1.00 0.00 O ATOM 0 H SER A 103 -8.101 9.964 -6.188 1.00 0.00 H new ATOM 0 HA SER A 103 -7.243 12.684 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.604 11.742 -6.497 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.613 11.457 -4.768 1.00 0.00 H new ATOM 0 HG SER A 103 -10.530 13.513 -5.323 1.00 0.00 H new ATOM 356 N LEU A 104 -6.826 10.973 -3.503 1.00 0.00 N ATOM 357 CA LEU A 104 -6.228 10.989 -2.179 1.00 0.00 C ATOM 358 C LEU A 104 -4.720 11.162 -2.296 1.00 0.00 C ATOM 359 O LEU A 104 -4.085 11.797 -1.454 1.00 0.00 O ATOM 360 CB LEU A 104 -6.543 9.691 -1.435 1.00 0.00 C ATOM 361 CG LEU A 104 -8.007 9.250 -1.476 1.00 0.00 C ATOM 362 CD1 LEU A 104 -8.199 7.990 -0.656 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.922 10.360 -0.982 1.00 0.00 C ATOM 0 H LEU A 104 -7.024 10.040 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.646 11.825 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.929 8.894 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.245 9.808 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.272 9.034 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.245 7.687 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.576 7.193 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.914 8.182 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.958 10.022 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.662 10.616 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.803 11.239 -1.616 1.00 0.00 H new ATOM 375 N LEU A 105 -4.156 10.619 -3.370 1.00 0.00 N ATOM 376 CA LEU A 105 -2.718 10.701 -3.619 1.00 0.00 C ATOM 377 C LEU A 105 -2.331 12.115 -4.022 1.00 0.00 C ATOM 378 O LEU A 105 -1.153 12.434 -4.191 1.00 0.00 O ATOM 379 CB LEU A 105 -2.295 9.717 -4.716 1.00 0.00 C ATOM 380 CG LEU A 105 -2.107 8.259 -4.279 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.402 7.659 -3.764 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.566 7.435 -5.432 1.00 0.00 C ATOM 0 H LEU A 105 -4.676 10.114 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.202 10.437 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.043 9.744 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.359 10.069 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.388 8.245 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.230 6.625 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.753 8.233 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.155 7.687 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.436 6.401 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.268 7.471 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.605 7.840 -5.749 1.00 0.00 H new ATOM 394 N LEU A 106 -3.339 12.956 -4.179 1.00 0.00 N ATOM 395 CA LEU A 106 -3.131 14.356 -4.493 1.00 0.00 C ATOM 396 C LEU A 106 -2.690 15.119 -3.242 1.00 0.00 C ATOM 397 O LEU A 106 -2.314 16.287 -3.314 1.00 0.00 O ATOM 398 CB LEU A 106 -4.407 14.950 -5.081 1.00 0.00 C ATOM 399 CG LEU A 106 -4.930 14.236 -6.334 1.00 0.00 C ATOM 400 CD1 LEU A 106 -6.118 14.976 -6.914 1.00 0.00 C ATOM 401 CD2 LEU A 106 -3.834 14.085 -7.381 1.00 0.00 C ATOM 0 H LEU A 106 -4.319 12.688 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.338 14.445 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.185 14.932 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.225 15.997 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.253 13.238 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.474 14.454 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.917 15.019 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.819 15.989 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.235 13.575 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.469 15.070 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.013 13.501 -6.966 1.00 0.00 H new ATOM 413 N ASN A 107 -2.742 14.443 -2.095 1.00 0.00 N ATOM 414 CA ASN A 107 -2.223 15.001 -0.851 1.00 0.00 C ATOM 415 C ASN A 107 -0.742 14.675 -0.729 1.00 0.00 C ATOM 416 O ASN A 107 -0.363 13.505 -0.665 1.00 0.00 O ATOM 417 CB ASN A 107 -2.953 14.433 0.375 1.00 0.00 C ATOM 418 CG ASN A 107 -4.436 14.741 0.397 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.854 15.814 0.826 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.239 13.786 -0.031 1.00 0.00 N ATOM 0 H ASN A 107 -3.139 13.508 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.382 16.079 -0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.815 13.352 0.401 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.494 14.834 1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.250 13.924 -0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.849 12.910 -0.379 1.00 0.00 H new ATOM 427 N PRO A 108 0.119 15.708 -0.693 1.00 0.00 N ATOM 428 CA PRO A 108 1.573 15.529 -0.618 1.00 0.00 C ATOM 429 C PRO A 108 2.004 14.736 0.613 1.00 0.00 C ATOM 430 O PRO A 108 2.988 13.997 0.571 1.00 0.00 O ATOM 431 CB PRO A 108 2.123 16.960 -0.557 1.00 0.00 C ATOM 432 CG PRO A 108 0.964 17.816 -0.181 1.00 0.00 C ATOM 433 CD PRO A 108 -0.255 17.132 -0.729 1.00 0.00 C ATOM 0 HA PRO A 108 1.947 14.957 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.925 17.041 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.538 17.262 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.896 17.926 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.069 18.818 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.138 17.333 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.483 17.464 -1.742 1.00 0.00 H new ATOM 441 N HIS A 109 1.259 14.880 1.704 1.00 0.00 N ATOM 442 CA HIS A 109 1.567 14.164 2.934 1.00 0.00 C ATOM 443 C HIS A 109 1.362 12.660 2.757 1.00 0.00 C ATOM 444 O HIS A 109 2.195 11.863 3.189 1.00 0.00 O ATOM 445 CB HIS A 109 0.709 14.687 4.092 1.00 0.00 C ATOM 446 CG HIS A 109 0.947 13.975 5.387 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.859 14.436 6.305 1.00 0.00 N ATOM 448 CD2 HIS A 109 0.379 12.841 5.858 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.826 13.575 7.307 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.943 12.595 7.081 1.00 0.00 N ATOM 0 H HIS A 109 0.440 15.485 1.760 1.00 0.00 H new ATOM 0 HA HIS A 109 2.616 14.339 3.172 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.909 15.750 4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.343 14.593 3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.374 12.245 5.364 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.435 13.652 8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.731 11.814 7.702 1.00 0.00 H new ATOM 458 N LEU A 110 0.265 12.275 2.109 1.00 0.00 N ATOM 459 CA LEU A 110 -0.030 10.868 1.899 1.00 0.00 C ATOM 460 C LEU A 110 1.047 10.234 1.028 1.00 0.00 C ATOM 461 O LEU A 110 1.427 9.079 1.231 1.00 0.00 O ATOM 462 CB LEU A 110 -1.410 10.705 1.257 1.00 0.00 C ATOM 463 CG LEU A 110 -1.770 9.277 0.852 1.00 0.00 C ATOM 464 CD1 LEU A 110 -1.769 8.357 2.060 1.00 0.00 C ATOM 465 CD2 LEU A 110 -3.121 9.240 0.158 1.00 0.00 C ATOM 0 H LEU A 110 -0.428 12.917 1.724 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.040 10.360 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.164 11.069 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.460 11.341 0.373 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.013 8.924 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.028 7.346 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.778 8.354 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.500 8.710 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.358 8.214 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.888 9.618 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.088 9.862 -0.737 1.00 0.00 H new ATOM 477 N ARG A 111 1.552 11.014 0.081 1.00 0.00 N ATOM 478 CA ARG A 111 2.628 10.560 -0.790 1.00 0.00 C ATOM 479 C ARG A 111 3.854 10.200 0.038 1.00 0.00 C ATOM 480 O ARG A 111 4.489 9.174 -0.189 1.00 0.00 O ATOM 481 CB ARG A 111 2.991 11.634 -1.818 1.00 0.00 C ATOM 482 CG ARG A 111 1.811 12.113 -2.647 1.00 0.00 C ATOM 483 CD ARG A 111 2.250 13.006 -3.797 1.00 0.00 C ATOM 484 NE ARG A 111 3.101 14.113 -3.359 1.00 0.00 N ATOM 485 CZ ARG A 111 3.225 15.264 -4.022 1.00 0.00 C ATOM 486 NH1 ARG A 111 2.523 15.482 -5.128 1.00 0.00 N ATOM 487 NH2 ARG A 111 4.054 16.198 -3.575 1.00 0.00 N ATOM 0 H ARG A 111 1.233 11.965 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 111 2.282 9.676 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.429 12.487 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.757 11.240 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.272 11.252 -3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.117 12.659 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.789 12.407 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.369 13.407 -4.298 1.00 0.00 H new ATOM 0 HE ARG A 111 3.631 13.998 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.884 14.767 -5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.623 16.364 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.595 16.035 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.150 17.079 -4.080 1.00 0.00 H new ATOM 501 N GLN A 112 4.163 11.043 1.020 1.00 0.00 N ATOM 502 CA GLN A 112 5.298 10.806 1.902 1.00 0.00 C ATOM 503 C GLN A 112 5.097 9.545 2.727 1.00 0.00 C ATOM 504 O GLN A 112 6.008 8.732 2.840 1.00 0.00 O ATOM 505 CB GLN A 112 5.537 12.000 2.826 1.00 0.00 C ATOM 506 CG GLN A 112 6.277 13.150 2.164 1.00 0.00 C ATOM 507 CD GLN A 112 7.784 12.935 2.084 1.00 0.00 C ATOM 508 OE1 GLN A 112 8.224 11.685 2.026 1.00 0.00 O flip ATOM 509 NE2 GLN A 112 8.553 13.896 2.094 1.00 0.00 N flip ATOM 0 H GLN A 112 3.642 11.896 1.223 1.00 0.00 H new ATOM 0 HA GLN A 112 6.177 10.673 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.576 12.362 3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.105 11.667 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.884 13.293 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.077 14.067 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 112 8.182 14.845 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.561 13.743 2.057 1.00 0.00 H new ATOM 518 N LEU A 113 3.905 9.387 3.293 1.00 0.00 N ATOM 519 CA LEU A 113 3.585 8.196 4.076 1.00 0.00 C ATOM 520 C LEU A 113 3.801 6.940 3.242 1.00 0.00 C ATOM 521 O LEU A 113 4.432 5.982 3.686 1.00 0.00 O ATOM 522 CB LEU A 113 2.137 8.251 4.569 1.00 0.00 C ATOM 523 CG LEU A 113 1.817 9.390 5.540 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.350 9.356 5.932 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.695 9.301 6.777 1.00 0.00 C ATOM 0 H LEU A 113 3.146 10.065 3.225 1.00 0.00 H new ATOM 0 HA LEU A 113 4.249 8.166 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.480 8.338 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.900 7.305 5.055 1.00 0.00 H new ATOM 0 HG LEU A 113 2.022 10.336 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.139 10.172 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.267 9.466 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.124 8.405 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.452 10.119 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.520 8.350 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.743 9.370 6.485 1.00 0.00 H new ATOM 537 N MET A 114 3.287 6.967 2.021 1.00 0.00 N ATOM 538 CA MET A 114 3.458 5.865 1.088 1.00 0.00 C ATOM 539 C MET A 114 4.938 5.597 0.826 1.00 0.00 C ATOM 540 O MET A 114 5.402 4.467 0.963 1.00 0.00 O ATOM 541 CB MET A 114 2.718 6.173 -0.215 1.00 0.00 C ATOM 542 CG MET A 114 1.217 5.955 -0.115 1.00 0.00 C ATOM 543 SD MET A 114 0.308 6.741 -1.457 1.00 0.00 S ATOM 544 CE MET A 114 1.010 5.902 -2.869 1.00 0.00 C ATOM 0 H MET A 114 2.744 7.747 1.652 1.00 0.00 H new ATOM 0 HA MET A 114 3.034 4.962 1.528 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.911 7.208 -0.499 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.118 5.544 -1.010 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.009 4.885 -0.119 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.860 6.346 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.256 5.812 -3.651 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.858 6.473 -3.247 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.345 4.908 -2.572 1.00 0.00 H new ATOM 554 N VAL A 115 5.680 6.647 0.486 1.00 0.00 N ATOM 555 CA VAL A 115 7.100 6.532 0.214 1.00 0.00 C ATOM 556 C VAL A 115 7.856 5.983 1.427 1.00 0.00 C ATOM 557 O VAL A 115 8.727 5.128 1.291 1.00 0.00 O ATOM 558 CB VAL A 115 7.676 7.902 -0.199 1.00 0.00 C ATOM 559 CG1 VAL A 115 9.184 7.871 -0.225 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.137 8.320 -1.559 1.00 0.00 C ATOM 0 H VAL A 115 5.312 7.594 0.393 1.00 0.00 H new ATOM 0 HA VAL A 115 7.229 5.829 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 115 7.362 8.635 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.563 8.850 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.560 7.620 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.520 7.121 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.554 9.289 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.420 7.578 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.050 8.393 -1.513 1.00 0.00 H new ATOM 570 N ASN A 116 7.498 6.465 2.608 1.00 0.00 N ATOM 571 CA ASN A 116 8.134 6.031 3.847 1.00 0.00 C ATOM 572 C ASN A 116 7.873 4.555 4.114 1.00 0.00 C ATOM 573 O ASN A 116 8.783 3.806 4.479 1.00 0.00 O ATOM 574 CB ASN A 116 7.613 6.851 5.025 1.00 0.00 C ATOM 575 CG ASN A 116 8.137 8.271 5.048 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.231 8.553 4.560 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.363 9.171 5.632 1.00 0.00 N ATOM 0 H ASN A 116 6.765 7.162 2.736 1.00 0.00 H new ATOM 0 HA ASN A 116 9.208 6.184 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.524 6.874 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.890 6.354 5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.666 10.143 5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.463 8.893 6.023 1.00 0.00 H new ATOM 584 N LEU A 117 6.624 4.151 3.937 1.00 0.00 N ATOM 585 CA LEU A 117 6.203 2.783 4.207 1.00 0.00 C ATOM 586 C LEU A 117 6.843 1.802 3.227 1.00 0.00 C ATOM 587 O LEU A 117 7.266 0.711 3.615 1.00 0.00 O ATOM 588 CB LEU A 117 4.678 2.688 4.115 1.00 0.00 C ATOM 589 CG LEU A 117 4.085 1.318 4.440 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.295 0.974 5.905 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.607 1.287 4.088 1.00 0.00 C ATOM 0 H LEU A 117 5.876 4.759 3.604 1.00 0.00 H new ATOM 0 HA LEU A 117 6.530 2.517 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.244 3.423 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.374 2.966 3.106 1.00 0.00 H new ATOM 0 HG LEU A 117 4.600 0.568 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.865 -0.006 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.362 0.956 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.809 1.724 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.197 0.305 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.080 2.048 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.482 1.485 3.023 1.00 0.00 H new ATOM 603 N ASP A 118 6.925 2.213 1.968 1.00 0.00 N ATOM 604 CA ASP A 118 7.430 1.356 0.895 1.00 0.00 C ATOM 605 C ASP A 118 8.880 0.958 1.120 1.00 0.00 C ATOM 606 O ASP A 118 9.285 -0.157 0.779 1.00 0.00 O ATOM 607 CB ASP A 118 7.291 2.066 -0.450 1.00 0.00 C ATOM 608 CG ASP A 118 7.996 1.338 -1.577 1.00 0.00 C ATOM 609 OD1 ASP A 118 7.576 0.212 -1.916 1.00 0.00 O ATOM 610 OD2 ASP A 118 8.966 1.898 -2.133 1.00 0.00 O ATOM 0 H ASP A 118 6.646 3.144 1.660 1.00 0.00 H new ATOM 0 HA ASP A 118 6.832 0.445 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.234 2.166 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.696 3.075 -0.366 1.00 0.00 H new ATOM 615 N GLN A 119 9.653 1.857 1.719 1.00 0.00 N ATOM 616 CA GLN A 119 11.066 1.602 1.976 1.00 0.00 C ATOM 617 C GLN A 119 11.233 0.386 2.872 1.00 0.00 C ATOM 618 O GLN A 119 12.250 -0.301 2.831 1.00 0.00 O ATOM 619 CB GLN A 119 11.720 2.824 2.612 1.00 0.00 C ATOM 620 CG GLN A 119 11.504 4.082 1.799 1.00 0.00 C ATOM 621 CD GLN A 119 12.288 5.267 2.315 1.00 0.00 C ATOM 622 OE1 GLN A 119 13.374 5.116 2.873 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.740 6.456 2.137 1.00 0.00 N ATOM 0 H GLN A 119 9.325 2.769 2.036 1.00 0.00 H new ATOM 0 HA GLN A 119 11.558 1.400 1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.316 2.968 3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.790 2.645 2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.787 3.891 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.442 4.329 1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.837 6.537 1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 119 12.220 7.293 2.468 1.00 0.00 H new ATOM 632 N GLY A 120 10.209 0.135 3.676 1.00 0.00 N ATOM 633 CA GLY A 120 10.126 -1.094 4.432 1.00 0.00 C ATOM 634 C GLY A 120 11.164 -1.217 5.526 1.00 0.00 C ATOM 635 O GLY A 120 11.481 -2.325 5.955 1.00 0.00 O ATOM 0 H GLY A 120 9.425 0.772 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.134 -1.168 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.232 -1.936 3.749 1.00 0.00 H new ATOM 639 N GLU A 121 11.678 -0.093 5.995 1.00 0.00 N ATOM 640 CA GLU A 121 12.681 -0.114 7.049 1.00 0.00 C ATOM 641 C GLU A 121 12.014 -0.336 8.399 1.00 0.00 C ATOM 642 O GLU A 121 12.453 -1.163 9.197 1.00 0.00 O ATOM 643 CB GLU A 121 13.481 1.189 7.063 1.00 0.00 C ATOM 644 CG GLU A 121 14.210 1.475 5.761 1.00 0.00 C ATOM 645 CD GLU A 121 15.116 2.684 5.859 1.00 0.00 C ATOM 646 OE1 GLU A 121 14.600 3.809 6.005 1.00 0.00 O ATOM 647 OE2 GLU A 121 16.354 2.513 5.786 1.00 0.00 O ATOM 0 H GLU A 121 11.421 0.838 5.667 1.00 0.00 H new ATOM 0 HA GLU A 121 13.370 -0.936 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.806 2.017 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.208 1.150 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 121 14.801 0.603 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 121 13.480 1.635 4.967 1.00 0.00 H new ATOM 654 N ASP A 122 10.935 0.393 8.637 1.00 0.00 N ATOM 655 CA ASP A 122 10.208 0.300 9.896 1.00 0.00 C ATOM 656 C ASP A 122 8.725 0.168 9.622 1.00 0.00 C ATOM 657 O ASP A 122 7.889 0.621 10.407 1.00 0.00 O ATOM 658 CB ASP A 122 10.457 1.538 10.767 1.00 0.00 C ATOM 659 CG ASP A 122 11.912 1.730 11.142 1.00 0.00 C ATOM 660 OD1 ASP A 122 12.337 1.197 12.189 1.00 0.00 O ATOM 661 OD2 ASP A 122 12.632 2.435 10.403 1.00 0.00 O ATOM 0 H ASP A 122 10.541 1.059 7.972 1.00 0.00 H new ATOM 0 HA ASP A 122 10.565 -0.579 10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 122 10.107 2.423 10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.863 1.458 11.677 1.00 0.00 H new ATOM 666 N LYS A 123 8.413 -0.470 8.504 1.00 0.00 N ATOM 667 CA LYS A 123 7.033 -0.672 8.069 1.00 0.00 C ATOM 668 C LYS A 123 6.175 -1.323 9.158 1.00 0.00 C ATOM 669 O LYS A 123 4.973 -1.083 9.224 1.00 0.00 O ATOM 670 CB LYS A 123 6.989 -1.512 6.778 1.00 0.00 C ATOM 671 CG LYS A 123 8.141 -2.506 6.623 1.00 0.00 C ATOM 672 CD LYS A 123 8.230 -3.452 7.794 1.00 0.00 C ATOM 673 CE LYS A 123 9.500 -4.276 7.778 1.00 0.00 C ATOM 674 NZ LYS A 123 9.475 -5.340 6.741 1.00 0.00 N ATOM 0 H LYS A 123 9.108 -0.864 7.870 1.00 0.00 H new ATOM 0 HA LYS A 123 6.612 0.313 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.047 -2.060 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 123 6.991 -0.838 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.006 -3.077 5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 123 9.080 -1.961 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.182 -2.882 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.368 -4.119 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.352 -3.620 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.646 -4.731 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.366 -5.875 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.678 -5.983 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.363 -4.907 5.802 1.00 0.00 H new ATOM 688 N ALA A 124 6.804 -2.108 10.030 1.00 0.00 N ATOM 689 CA ALA A 124 6.082 -2.857 11.048 1.00 0.00 C ATOM 690 C ALA A 124 5.391 -1.914 12.023 1.00 0.00 C ATOM 691 O ALA A 124 4.270 -2.161 12.468 1.00 0.00 O ATOM 692 CB ALA A 124 7.023 -3.791 11.793 1.00 0.00 C ATOM 0 H ALA A 124 7.815 -2.240 10.049 1.00 0.00 H new ATOM 0 HA ALA A 124 5.320 -3.457 10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.465 -4.342 12.550 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.471 -4.493 11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.808 -3.208 12.274 1.00 0.00 H new ATOM 698 N LYS A 125 6.074 -0.827 12.344 1.00 0.00 N ATOM 699 CA LYS A 125 5.538 0.176 13.247 1.00 0.00 C ATOM 700 C LYS A 125 4.710 1.189 12.468 1.00 0.00 C ATOM 701 O LYS A 125 3.626 1.591 12.899 1.00 0.00 O ATOM 702 CB LYS A 125 6.679 0.883 13.974 1.00 0.00 C ATOM 703 CG LYS A 125 7.552 -0.050 14.800 1.00 0.00 C ATOM 704 CD LYS A 125 8.794 0.658 15.317 1.00 0.00 C ATOM 705 CE LYS A 125 9.740 1.016 14.182 1.00 0.00 C ATOM 706 NZ LYS A 125 10.951 1.732 14.659 1.00 0.00 N ATOM 0 H LYS A 125 7.007 -0.617 11.989 1.00 0.00 H new ATOM 0 HA LYS A 125 4.898 -0.313 13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 125 7.303 1.395 13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.262 1.649 14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.977 -0.438 15.641 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.847 -0.906 14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.503 1.563 15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.308 0.017 16.033 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.040 0.106 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.215 1.638 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.685 1.701 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.710 2.722 14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.307 1.275 15.522 1.00 0.00 H new ATOM 720 N LEU A 126 5.229 1.581 11.307 1.00 0.00 N ATOM 721 CA LEU A 126 4.578 2.571 10.452 1.00 0.00 C ATOM 722 C LEU A 126 3.145 2.164 10.120 1.00 0.00 C ATOM 723 O LEU A 126 2.247 2.993 10.151 1.00 0.00 O ATOM 724 CB LEU A 126 5.372 2.776 9.157 1.00 0.00 C ATOM 725 CG LEU A 126 6.810 3.272 9.334 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.539 3.302 7.996 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.842 4.645 9.987 1.00 0.00 C ATOM 0 H LEU A 126 6.108 1.224 10.933 1.00 0.00 H new ATOM 0 HA LEU A 126 4.549 3.510 11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.397 1.831 8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.835 3.489 8.532 1.00 0.00 H new ATOM 0 HG LEU A 126 7.324 2.572 9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.559 3.657 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.563 2.298 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.018 3.972 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.876 4.970 10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.303 5.358 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.370 4.592 10.968 1.00 0.00 H new ATOM 739 N MET A 127 2.933 0.884 9.823 1.00 0.00 N ATOM 740 CA MET A 127 1.601 0.385 9.471 1.00 0.00 C ATOM 741 C MET A 127 0.551 0.807 10.492 1.00 0.00 C ATOM 742 O MET A 127 -0.554 1.196 10.129 1.00 0.00 O ATOM 743 CB MET A 127 1.606 -1.138 9.358 1.00 0.00 C ATOM 744 CG MET A 127 2.283 -1.664 8.106 1.00 0.00 C ATOM 745 SD MET A 127 1.129 -2.024 6.764 1.00 0.00 S ATOM 746 CE MET A 127 0.411 -0.418 6.439 1.00 0.00 C ATOM 0 H MET A 127 3.664 0.172 9.818 1.00 0.00 H new ATOM 0 HA MET A 127 1.343 0.823 8.507 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.107 -1.555 10.232 1.00 0.00 H new ATOM 0 HB3 MET A 127 0.577 -1.497 9.380 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.013 -0.931 7.761 1.00 0.00 H new ATOM 0 HG3 MET A 127 2.835 -2.571 8.354 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.091 -0.433 5.471 1.00 0.00 H new ATOM 0 HE2 MET A 127 -0.312 -0.178 7.219 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.197 0.337 6.428 1.00 0.00 H new ATOM 756 N ARG A 128 0.907 0.738 11.764 1.00 0.00 N ATOM 757 CA ARG A 128 -0.021 1.084 12.832 1.00 0.00 C ATOM 758 C ARG A 128 -0.053 2.589 13.043 1.00 0.00 C ATOM 759 O ARG A 128 -1.114 3.173 13.262 1.00 0.00 O ATOM 760 CB ARG A 128 0.382 0.392 14.131 1.00 0.00 C ATOM 761 CG ARG A 128 0.586 -1.111 14.001 1.00 0.00 C ATOM 762 CD ARG A 128 -0.672 -1.823 13.517 1.00 0.00 C ATOM 763 NE ARG A 128 -1.794 -1.662 14.441 1.00 0.00 N ATOM 764 CZ ARG A 128 -2.835 -2.495 14.504 1.00 0.00 C ATOM 765 NH1 ARG A 128 -2.887 -3.561 13.714 1.00 0.00 N ATOM 766 NH2 ARG A 128 -3.821 -2.260 15.361 1.00 0.00 N ATOM 0 H ARG A 128 1.831 0.446 12.084 1.00 0.00 H new ATOM 0 HA ARG A 128 -1.016 0.746 12.542 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.304 0.842 14.498 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -0.385 0.579 14.882 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.402 -1.306 13.306 1.00 0.00 H new ATOM 0 HG3 ARG A 128 0.885 -1.520 14.966 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.952 -1.434 12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.459 -2.884 13.389 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.780 -0.864 15.076 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.130 -3.746 13.056 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.684 -4.195 13.765 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.783 -1.443 15.971 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.617 -2.896 15.410 1.00 0.00 H new ATOM 780 N ALA A 129 1.115 3.213 12.964 1.00 0.00 N ATOM 781 CA ALA A 129 1.237 4.651 13.170 1.00 0.00 C ATOM 782 C ALA A 129 0.471 5.428 12.107 1.00 0.00 C ATOM 783 O ALA A 129 -0.073 6.496 12.377 1.00 0.00 O ATOM 784 CB ALA A 129 2.701 5.063 13.175 1.00 0.00 C ATOM 0 H ALA A 129 1.996 2.743 12.758 1.00 0.00 H new ATOM 0 HA ALA A 129 0.801 4.889 14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.776 6.139 13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.222 4.544 13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.156 4.802 12.220 1.00 0.00 H new ATOM 790 N TYR A 130 0.409 4.869 10.907 1.00 0.00 N ATOM 791 CA TYR A 130 -0.242 5.536 9.784 1.00 0.00 C ATOM 792 C TYR A 130 -1.758 5.407 9.876 1.00 0.00 C ATOM 793 O TYR A 130 -2.495 6.157 9.238 1.00 0.00 O ATOM 794 CB TYR A 130 0.239 4.953 8.451 1.00 0.00 C ATOM 795 CG TYR A 130 1.683 5.257 8.104 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.126 5.159 6.793 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.602 5.637 9.075 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.437 5.426 6.464 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.914 5.903 8.752 1.00 0.00 C ATOM 800 CZ TYR A 130 4.326 5.796 7.446 1.00 0.00 C ATOM 801 OH TYR A 130 5.632 6.065 7.118 1.00 0.00 O ATOM 0 H TYR A 130 0.801 3.954 10.684 1.00 0.00 H new ATOM 0 HA TYR A 130 0.027 6.591 9.830 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.107 3.871 8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.399 5.334 7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 130 1.432 4.869 6.018 1.00 0.00 H new ATOM 0 HD2 TYR A 130 2.281 5.725 10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.765 5.345 5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.615 6.194 9.521 1.00 0.00 H new ATOM 0 HH TYR A 130 5.999 6.720 7.748 1.00 0.00 H new ATOM 811 N MET A 131 -2.220 4.463 10.687 1.00 0.00 N ATOM 812 CA MET A 131 -3.651 4.198 10.821 1.00 0.00 C ATOM 813 C MET A 131 -4.329 5.252 11.687 1.00 0.00 C ATOM 814 O MET A 131 -5.547 5.239 11.862 1.00 0.00 O ATOM 815 CB MET A 131 -3.890 2.807 11.410 1.00 0.00 C ATOM 816 CG MET A 131 -3.538 1.660 10.472 1.00 0.00 C ATOM 817 SD MET A 131 -4.898 1.169 9.385 1.00 0.00 S ATOM 818 CE MET A 131 -4.975 2.526 8.213 1.00 0.00 C ATOM 0 H MET A 131 -1.626 3.867 11.263 1.00 0.00 H new ATOM 0 HA MET A 131 -4.088 4.240 9.823 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.304 2.707 12.324 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.939 2.720 11.693 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.683 1.950 9.862 1.00 0.00 H new ATOM 0 HG3 MET A 131 -3.229 0.799 11.065 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.318 2.154 7.248 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.669 3.283 8.578 1.00 0.00 H new ATOM 0 HE3 MET A 131 -3.984 2.966 8.101 1.00 0.00 H new ATOM 828 N GLN A 132 -3.539 6.158 12.237 1.00 0.00 N ATOM 829 CA GLN A 132 -4.089 7.262 13.007 1.00 0.00 C ATOM 830 C GLN A 132 -4.401 8.434 12.082 1.00 0.00 C ATOM 831 O GLN A 132 -5.199 9.310 12.413 1.00 0.00 O ATOM 832 CB GLN A 132 -3.103 7.714 14.090 1.00 0.00 C ATOM 833 CG GLN A 132 -1.998 8.614 13.560 1.00 0.00 C ATOM 834 CD GLN A 132 -0.997 9.009 14.620 1.00 0.00 C ATOM 835 OE1 GLN A 132 -1.174 10.006 15.320 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.073 8.245 14.729 1.00 0.00 N ATOM 0 H GLN A 132 -2.521 6.152 12.166 1.00 0.00 H new ATOM 0 HA GLN A 132 -5.005 6.921 13.489 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.649 8.243 14.871 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.655 6.835 14.553 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.478 8.103 12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.443 9.514 13.135 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.179 7.428 14.128 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.794 8.472 15.414 1.00 0.00 H new ATOM 845 N GLU A 133 -3.772 8.429 10.911 1.00 0.00 N ATOM 846 CA GLU A 133 -3.844 9.557 10.002 1.00 0.00 C ATOM 847 C GLU A 133 -4.987 9.379 9.016 1.00 0.00 C ATOM 848 O GLU A 133 -5.019 8.404 8.262 1.00 0.00 O ATOM 849 CB GLU A 133 -2.525 9.714 9.248 1.00 0.00 C ATOM 850 CG GLU A 133 -1.305 9.446 10.111 1.00 0.00 C ATOM 851 CD GLU A 133 -0.048 10.085 9.570 1.00 0.00 C ATOM 852 OE1 GLU A 133 1.020 9.443 9.616 1.00 0.00 O ATOM 853 OE2 GLU A 133 -0.121 11.243 9.108 1.00 0.00 O ATOM 0 H GLU A 133 -3.206 7.651 10.572 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.027 10.457 10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.517 9.032 8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.462 10.725 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.491 9.818 11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -1.153 8.370 10.192 1.00 0.00 H new ATOM 860 N PRO A 134 -5.930 10.335 8.996 1.00 0.00 N ATOM 861 CA PRO A 134 -7.110 10.279 8.125 1.00 0.00 C ATOM 862 C PRO A 134 -6.744 10.308 6.642 1.00 0.00 C ATOM 863 O PRO A 134 -7.568 10.008 5.786 1.00 0.00 O ATOM 864 CB PRO A 134 -7.912 11.525 8.508 1.00 0.00 C ATOM 865 CG PRO A 134 -6.930 12.436 9.156 1.00 0.00 C ATOM 866 CD PRO A 134 -5.922 11.551 9.828 1.00 0.00 C ATOM 0 HA PRO A 134 -7.664 9.350 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.361 11.990 7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.726 11.276 9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.452 13.081 8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.421 13.087 9.879 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.935 12.013 9.855 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.201 11.335 10.859 1.00 0.00 H new ATOM 874 N LEU A 135 -5.506 10.662 6.341 1.00 0.00 N ATOM 875 CA LEU A 135 -5.046 10.665 4.963 1.00 0.00 C ATOM 876 C LEU A 135 -4.682 9.257 4.509 1.00 0.00 C ATOM 877 O LEU A 135 -4.901 8.897 3.353 1.00 0.00 O ATOM 878 CB LEU A 135 -3.845 11.596 4.782 1.00 0.00 C ATOM 879 CG LEU A 135 -4.137 13.090 4.955 1.00 0.00 C ATOM 880 CD1 LEU A 135 -2.897 13.905 4.639 1.00 0.00 C ATOM 881 CD2 LEU A 135 -5.299 13.522 4.069 1.00 0.00 C ATOM 0 H LEU A 135 -4.807 10.949 7.026 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.866 11.033 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.074 11.309 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.431 11.437 3.786 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.419 13.268 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.116 14.965 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -2.091 13.618 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.591 13.718 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.487 14.586 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.051 13.332 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.191 12.957 4.338 1.00 0.00 H new ATOM 893 N PHE A 136 -4.148 8.449 5.419 1.00 0.00 N ATOM 894 CA PHE A 136 -3.680 7.125 5.048 1.00 0.00 C ATOM 895 C PHE A 136 -4.804 6.113 5.186 1.00 0.00 C ATOM 896 O PHE A 136 -4.904 5.170 4.404 1.00 0.00 O ATOM 897 CB PHE A 136 -2.482 6.709 5.899 1.00 0.00 C ATOM 898 CG PHE A 136 -1.773 5.494 5.371 1.00 0.00 C ATOM 899 CD1 PHE A 136 -2.066 4.233 5.862 1.00 0.00 C ATOM 900 CD2 PHE A 136 -0.816 5.617 4.377 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.415 3.117 5.371 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.161 4.506 3.884 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.461 3.254 4.382 1.00 0.00 C ATOM 0 H PHE A 136 -4.031 8.686 6.404 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.360 7.156 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.777 7.539 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.819 6.511 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.811 4.120 6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.579 6.594 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.652 2.138 5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.584 4.616 3.110 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.050 2.383 3.999 1.00 0.00 H new ATOM 913 N VAL A 137 -5.647 6.322 6.185 1.00 0.00 N ATOM 914 CA VAL A 137 -6.793 5.454 6.418 1.00 0.00 C ATOM 915 C VAL A 137 -7.700 5.397 5.194 1.00 0.00 C ATOM 916 O VAL A 137 -8.086 4.322 4.757 1.00 0.00 O ATOM 917 CB VAL A 137 -7.613 5.921 7.628 1.00 0.00 C ATOM 918 CG1 VAL A 137 -6.888 5.654 8.932 1.00 0.00 C ATOM 919 CG2 VAL A 137 -7.947 7.369 7.508 1.00 0.00 C ATOM 0 H VAL A 137 -5.559 7.089 6.851 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.398 4.458 6.619 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.538 5.345 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -7.500 5.998 9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -6.705 4.584 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.937 6.187 8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -8.529 7.681 8.375 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.027 7.952 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.530 7.534 6.602 1.00 0.00 H new ATOM 929 N GLU A 138 -8.034 6.561 4.652 1.00 0.00 N ATOM 930 CA GLU A 138 -8.868 6.651 3.458 1.00 0.00 C ATOM 931 C GLU A 138 -8.192 5.963 2.287 1.00 0.00 C ATOM 932 O GLU A 138 -8.836 5.248 1.524 1.00 0.00 O ATOM 933 CB GLU A 138 -9.146 8.110 3.103 1.00 0.00 C ATOM 934 CG GLU A 138 -9.870 8.875 4.193 1.00 0.00 C ATOM 935 CD GLU A 138 -11.274 8.365 4.447 1.00 0.00 C ATOM 936 OE1 GLU A 138 -12.181 8.680 3.648 1.00 0.00 O ATOM 937 OE2 GLU A 138 -11.485 7.665 5.459 1.00 0.00 O ATOM 0 H GLU A 138 -7.738 7.464 5.023 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.814 6.152 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -8.201 8.609 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.740 8.146 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -9.294 8.811 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -9.917 9.929 3.919 1.00 0.00 H new ATOM 944 N PHE A 139 -6.886 6.180 2.157 1.00 0.00 N ATOM 945 CA PHE A 139 -6.101 5.531 1.118 1.00 0.00 C ATOM 946 C PHE A 139 -6.235 4.022 1.243 1.00 0.00 C ATOM 947 O PHE A 139 -6.570 3.328 0.280 1.00 0.00 O ATOM 948 CB PHE A 139 -4.632 5.949 1.237 1.00 0.00 C ATOM 949 CG PHE A 139 -3.685 5.133 0.395 1.00 0.00 C ATOM 950 CD1 PHE A 139 -2.912 4.142 0.979 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.570 5.346 -0.971 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.045 3.380 0.220 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.701 4.586 -1.734 1.00 0.00 C ATOM 954 CZ PHE A 139 -1.940 3.602 -1.137 1.00 0.00 C ATOM 0 H PHE A 139 -6.350 6.803 2.762 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.472 5.837 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.541 6.997 0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.328 5.874 2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -2.988 3.963 2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.165 6.113 -1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -1.450 2.611 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.618 4.763 -2.796 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.263 3.006 -1.732 1.00 0.00 H new ATOM 964 N ALA A 140 -6.004 3.535 2.452 1.00 0.00 N ATOM 965 CA ALA A 140 -6.102 2.122 2.746 1.00 0.00 C ATOM 966 C ALA A 140 -7.521 1.620 2.537 1.00 0.00 C ATOM 967 O ALA A 140 -7.737 0.594 1.896 1.00 0.00 O ATOM 968 CB ALA A 140 -5.643 1.852 4.172 1.00 0.00 C ATOM 0 H ALA A 140 -5.744 4.111 3.253 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.451 1.581 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.721 0.786 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.607 2.170 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.272 2.407 4.868 1.00 0.00 H new ATOM 974 N ASP A 141 -8.486 2.379 3.039 1.00 0.00 N ATOM 975 CA ASP A 141 -9.887 1.977 3.000 1.00 0.00 C ATOM 976 C ASP A 141 -10.367 1.856 1.560 1.00 0.00 C ATOM 977 O ASP A 141 -11.193 1.005 1.231 1.00 0.00 O ATOM 978 CB ASP A 141 -10.739 2.998 3.752 1.00 0.00 C ATOM 979 CG ASP A 141 -12.158 2.528 3.977 1.00 0.00 C ATOM 980 OD1 ASP A 141 -12.381 1.731 4.910 1.00 0.00 O ATOM 981 OD2 ASP A 141 -13.059 2.967 3.237 1.00 0.00 O ATOM 0 H ASP A 141 -8.323 3.283 3.481 1.00 0.00 H new ATOM 0 HA ASP A 141 -9.986 1.004 3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.275 3.212 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.756 3.933 3.192 1.00 0.00 H new ATOM 986 N CYS A 142 -9.814 2.699 0.705 1.00 0.00 N ATOM 987 CA CYS A 142 -10.208 2.744 -0.691 1.00 0.00 C ATOM 988 C CYS A 142 -9.554 1.627 -1.495 1.00 0.00 C ATOM 989 O CYS A 142 -10.220 0.953 -2.279 1.00 0.00 O ATOM 990 CB CYS A 142 -9.843 4.102 -1.282 1.00 0.00 C ATOM 991 SG CYS A 142 -10.853 5.464 -0.659 1.00 0.00 S ATOM 0 H CYS A 142 -9.085 3.366 0.957 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.287 2.599 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.795 4.311 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.943 4.055 -2.366 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.379 5.869 0.482 1.00 0.00 H new ATOM 997 N CYS A 143 -8.258 1.415 -1.285 1.00 0.00 N ATOM 998 CA CYS A 143 -7.521 0.433 -2.069 1.00 0.00 C ATOM 999 C CYS A 143 -8.009 -0.982 -1.778 1.00 0.00 C ATOM 1000 O CYS A 143 -7.953 -1.851 -2.646 1.00 0.00 O ATOM 1001 CB CYS A 143 -6.015 0.548 -1.811 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.528 0.311 -0.088 1.00 0.00 S ATOM 0 H CYS A 143 -7.702 1.906 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.705 0.643 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.497 -0.188 -2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.677 1.531 -2.138 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.590 0.269 0.661 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.519 -1.199 -0.566 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.020 -2.512 -0.170 1.00 0.00 C ATOM 1010 C LEU A 144 -10.136 -2.965 -1.101 1.00 0.00 C ATOM 1011 O LEU A 144 -10.077 -4.054 -1.665 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.530 -2.494 1.274 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.481 -2.154 2.334 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -9.082 -2.237 3.726 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.279 -3.072 2.215 1.00 0.00 C ATOM 0 H LEU A 144 -8.595 -0.483 0.156 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.191 -3.216 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.343 -1.771 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.952 -3.472 1.505 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.145 -1.131 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.320 -1.992 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.909 -1.531 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.449 -3.248 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.546 -2.812 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.596 -4.106 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.831 -2.958 1.228 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.124 -2.099 -1.299 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.271 -2.456 -2.115 1.00 0.00 C ATOM 1029 C GLY A 145 -11.893 -2.710 -3.558 1.00 0.00 C ATOM 1030 O GLY A 145 -12.610 -3.394 -4.288 1.00 0.00 O ATOM 0 H GLY A 145 -11.152 -1.157 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.743 -3.348 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.009 -1.655 -2.071 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.757 -2.170 -3.962 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.288 -2.319 -5.326 1.00 0.00 C ATOM 1036 C ILE A 146 -9.476 -3.605 -5.485 1.00 0.00 C ATOM 1037 O ILE A 146 -9.549 -4.270 -6.518 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.433 -1.104 -5.744 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.206 0.192 -5.477 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -9.048 -1.200 -7.215 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.365 1.444 -5.601 1.00 0.00 C ATOM 0 H ILE A 146 -10.141 -1.622 -3.361 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.162 -2.375 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.517 -1.099 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -11.041 0.256 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.632 0.150 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.446 -0.334 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.473 -2.111 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.950 -1.224 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.983 2.319 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.545 1.404 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.961 1.512 -6.611 1.00 0.00 H new ATOM 1053 N VAL A 147 -8.726 -3.973 -4.449 1.00 0.00 N ATOM 1054 CA VAL A 147 -7.845 -5.133 -4.535 1.00 0.00 C ATOM 1055 C VAL A 147 -8.490 -6.398 -3.973 1.00 0.00 C ATOM 1056 O VAL A 147 -7.903 -7.477 -4.051 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.499 -4.903 -3.815 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -5.803 -3.664 -4.353 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -6.695 -4.811 -2.311 1.00 0.00 C ATOM 0 H VAL A 147 -8.710 -3.491 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 147 -7.661 -5.271 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 147 -5.858 -5.762 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -4.857 -3.522 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.614 -3.787 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.438 -2.792 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -5.732 -4.649 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.361 -3.979 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.133 -5.739 -1.944 1.00 0.00 H new ATOM 1069 N GLU A 148 -9.675 -6.273 -3.388 1.00 0.00 N ATOM 1070 CA GLU A 148 -10.398 -7.444 -2.910 1.00 0.00 C ATOM 1071 C GLU A 148 -11.211 -8.076 -4.030 1.00 0.00 C ATOM 1072 O GLU A 148 -12.166 -7.479 -4.533 1.00 0.00 O ATOM 1073 CB GLU A 148 -11.322 -7.105 -1.738 1.00 0.00 C ATOM 1074 CG GLU A 148 -10.586 -6.800 -0.447 1.00 0.00 C ATOM 1075 CD GLU A 148 -11.470 -6.960 0.769 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -11.444 -8.054 1.378 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -12.191 -6.007 1.121 1.00 0.00 O ATOM 0 H GLU A 148 -10.151 -5.384 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 148 -9.649 -8.155 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -11.935 -6.245 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.001 -7.941 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -9.725 -7.462 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -10.202 -5.781 -0.483 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.490 -7.287 10.119 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.820 -6.016 9.887 1.00 0.00 C ATOM 1199 C ILE B 463 -5.343 -6.212 9.558 1.00 0.00 C ATOM 1200 O ILE B 463 -4.760 -5.419 8.819 1.00 0.00 O ATOM 1201 CB ILE B 463 -6.967 -5.086 11.117 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -8.449 -4.838 11.429 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -6.240 -3.766 10.900 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -9.214 -4.175 10.300 1.00 0.00 C ATOM 0 HA ILE B 463 -7.301 -5.549 9.028 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.509 -5.585 11.971 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -8.924 -5.790 11.666 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -8.523 -4.214 12.320 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -6.361 -3.135 11.780 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -5.180 -3.957 10.734 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -6.658 -3.259 10.030 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -10.253 -4.034 10.598 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -8.766 -3.207 10.076 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -9.174 -4.807 9.413 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.744 -7.272 10.090 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.341 -7.574 9.800 1.00 0.00 C ATOM 1218 C ARG B 464 -3.137 -7.763 8.301 1.00 0.00 C ATOM 1219 O ARG B 464 -2.229 -7.185 7.702 1.00 0.00 O ATOM 1220 CB ARG B 464 -2.883 -8.829 10.542 1.00 0.00 C ATOM 1221 CG ARG B 464 -2.703 -8.636 12.038 1.00 0.00 C ATOM 1222 CD ARG B 464 -2.160 -9.897 12.685 1.00 0.00 C ATOM 1223 NE ARG B 464 -1.888 -9.719 14.109 1.00 0.00 N ATOM 1224 CZ ARG B 464 -1.433 -10.689 14.899 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -1.220 -11.905 14.406 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -1.188 -10.444 16.180 1.00 0.00 N ATOM 0 H ARG B 464 -5.200 -7.933 10.719 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.742 -6.730 10.142 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -3.611 -9.623 10.374 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -1.939 -9.166 10.114 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -2.022 -7.805 12.222 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -3.658 -8.372 12.492 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -2.877 -10.707 12.553 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -1.243 -10.197 12.177 1.00 0.00 H new ATOM 0 HE ARG B 464 -2.056 -8.801 14.521 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -1.405 -12.096 13.421 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -0.871 -12.647 15.012 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -1.348 -9.511 16.561 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -0.839 -11.188 16.784 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.014 -8.552 7.699 1.00 0.00 N ATOM 1241 CA HIS B 465 -3.962 -8.810 6.270 1.00 0.00 C ATOM 1242 C HIS B 465 -4.217 -7.522 5.497 1.00 0.00 C ATOM 1243 O HIS B 465 -3.523 -7.226 4.527 1.00 0.00 O ATOM 1244 CB HIS B 465 -4.989 -9.890 5.892 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.262 -9.993 4.423 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -6.182 -9.364 3.661 1.00 0.00 N flip ATOM 1247 CD2 HIS B 465 -4.540 -10.794 3.568 1.00 0.00 C flip ATOM 1248 CE1 HIS B 465 -6.003 -9.784 2.369 1.00 0.00 C flip ATOM 1249 NE2 HIS B 465 -5.001 -10.643 2.337 1.00 0.00 N flip ATOM 0 H HIS B 465 -4.775 -9.027 8.183 1.00 0.00 H new ATOM 0 HA HIS B 465 -2.969 -9.175 6.008 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -4.633 -10.855 6.252 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -5.925 -9.682 6.410 1.00 0.00 H new ATOM 0 HD1 HIS B 465 -6.882 -8.698 3.987 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -3.726 -11.443 3.856 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -6.586 -9.465 1.517 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.200 -6.760 5.955 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.591 -5.510 5.306 1.00 0.00 C ATOM 1260 C GLU B 466 -4.462 -4.485 5.346 1.00 0.00 C ATOM 1261 O GLU B 466 -4.450 -3.544 4.564 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.823 -4.922 6.000 1.00 0.00 C ATOM 1263 CG GLU B 466 -8.013 -5.862 6.074 1.00 0.00 C ATOM 1264 CD GLU B 466 -8.589 -6.206 4.721 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -8.075 -7.137 4.073 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.583 -5.571 4.319 1.00 0.00 O ATOM 0 H GLU B 466 -5.749 -6.987 6.784 1.00 0.00 H new ATOM 0 HA GLU B 466 -5.820 -5.736 4.265 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.547 -4.625 7.012 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -7.124 -4.017 5.473 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -7.710 -6.781 6.576 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.790 -5.405 6.686 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.544 -4.633 6.286 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.394 -3.747 6.355 1.00 0.00 C ATOM 1275 C ARG B 467 -1.284 -4.213 5.421 1.00 0.00 C ATOM 1276 O ARG B 467 -0.671 -3.405 4.727 1.00 0.00 O ATOM 1277 CB ARG B 467 -1.888 -3.635 7.793 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.417 -2.415 8.548 1.00 0.00 C ATOM 1279 CD ARG B 467 -3.941 -2.380 8.643 1.00 0.00 C ATOM 1280 NE ARG B 467 -4.585 -1.981 7.387 1.00 0.00 N ATOM 1281 CZ ARG B 467 -5.855 -1.582 7.288 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -6.620 -1.507 8.368 1.00 0.00 N ATOM 1283 NH2 ARG B 467 -6.363 -1.263 6.105 1.00 0.00 N ATOM 0 H ARG B 467 -3.571 -5.353 7.008 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.709 -2.757 6.026 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -2.170 -4.536 8.337 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -0.799 -3.598 7.782 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -1.997 -2.408 9.554 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -2.070 -1.509 8.051 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -4.304 -3.366 8.934 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -4.234 -1.687 9.431 1.00 0.00 H new ATOM 0 HE ARG B 467 -4.026 -2.010 6.534 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -6.239 -1.755 9.281 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -7.590 -1.201 8.286 1.00 0.00 H new ATOM 0 HH21 ARG B 467 -5.783 -1.322 5.268 1.00 0.00 H new ATOM 0 HH22 ARG B 467 -7.334 -0.958 6.032 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.053 -5.515 5.371 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.005 -6.064 4.525 1.00 0.00 C ATOM 1299 C ASN B 468 -0.349 -5.870 3.046 1.00 0.00 C ATOM 1300 O ASN B 468 0.538 -5.699 2.213 1.00 0.00 O ATOM 1301 CB ASN B 468 0.219 -7.547 4.853 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.062 -8.463 3.679 1.00 0.00 C ATOM 1303 OD1 ASN B 468 0.832 -8.798 2.903 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.316 -8.859 3.535 1.00 0.00 N ATOM 0 H ASN B 468 -1.575 -6.210 5.905 1.00 0.00 H new ATOM 0 HA ASN B 468 0.923 -5.528 4.723 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.249 -7.689 5.179 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.422 -7.829 5.688 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.573 -9.466 2.757 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -2.026 -8.557 4.202 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.644 -5.878 2.730 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.097 -5.675 1.357 1.00 0.00 C ATOM 1313 C VAL B 469 -1.854 -4.234 0.910 1.00 0.00 C ATOM 1314 O VAL B 469 -1.767 -3.951 -0.285 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.593 -6.039 1.177 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -3.817 -7.520 1.394 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.470 -5.219 2.095 1.00 0.00 C ATOM 0 H VAL B 469 -2.395 -6.023 3.405 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.512 -6.347 0.729 1.00 0.00 H new ATOM 0 HB VAL B 469 -3.873 -5.801 0.151 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -4.874 -7.751 1.262 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -3.229 -8.087 0.672 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -3.510 -7.790 2.404 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.513 -5.497 1.946 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -4.189 -5.408 3.131 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -4.341 -4.160 1.871 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.727 -3.331 1.880 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.457 -1.928 1.591 1.00 0.00 C ATOM 1329 C ILE B 470 -0.067 -1.773 0.983 1.00 0.00 C ATOM 1330 O ILE B 470 0.156 -0.909 0.138 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.547 -1.048 2.859 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -2.878 -1.258 3.579 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.373 0.419 2.502 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.090 -0.940 2.733 1.00 0.00 C ATOM 0 H ILE B 470 -1.807 -3.548 2.873 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.218 -1.596 0.885 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.742 -1.346 3.531 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -2.941 -2.294 3.911 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -2.898 -0.635 4.473 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.439 1.024 3.406 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.398 0.567 2.037 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.156 0.720 1.806 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -4.995 -1.114 3.314 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.053 0.104 2.423 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.096 -1.581 1.851 1.00 0.00 H new ATOM 1346 N LEU B 471 0.856 -2.634 1.407 1.00 0.00 N ATOM 1347 CA LEU B 471 2.228 -2.598 0.910 1.00 0.00 C ATOM 1348 C LEU B 471 2.247 -2.780 -0.602 1.00 0.00 C ATOM 1349 O LEU B 471 2.936 -2.056 -1.318 1.00 0.00 O ATOM 1350 CB LEU B 471 3.073 -3.694 1.566 1.00 0.00 C ATOM 1351 CG LEU B 471 3.111 -3.679 3.097 1.00 0.00 C ATOM 1352 CD1 LEU B 471 4.001 -4.802 3.610 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.598 -2.335 3.616 1.00 0.00 C ATOM 0 H LEU B 471 0.677 -3.366 2.095 1.00 0.00 H new ATOM 0 HA LEU B 471 2.653 -1.626 1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.694 -4.663 1.240 1.00 0.00 H new ATOM 0 HB3 LEU B 471 4.094 -3.610 1.195 1.00 0.00 H new ATOM 0 HG LEU B 471 2.098 -3.836 3.467 1.00 0.00 H new ATOM 0 HD11 LEU B 471 4.021 -4.782 4.700 1.00 0.00 H new ATOM 0 HD12 LEU B 471 3.608 -5.761 3.272 1.00 0.00 H new ATOM 0 HD13 LEU B 471 5.013 -4.669 3.226 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.616 -2.351 4.706 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.602 -2.142 3.239 1.00 0.00 H new ATOM 0 HD23 LEU B 471 2.925 -1.548 3.275 1.00 0.00 H new ATOM 1365 N GLN B 472 1.470 -3.747 -1.077 1.00 0.00 N ATOM 1366 CA GLN B 472 1.349 -4.008 -2.506 1.00 0.00 C ATOM 1367 C GLN B 472 0.762 -2.800 -3.223 1.00 0.00 C ATOM 1368 O GLN B 472 1.198 -2.442 -4.316 1.00 0.00 O ATOM 1369 CB GLN B 472 0.476 -5.239 -2.761 1.00 0.00 C ATOM 1370 CG GLN B 472 1.168 -6.573 -2.501 1.00 0.00 C ATOM 1371 CD GLN B 472 1.577 -6.773 -1.054 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.698 -6.454 -0.665 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.664 -7.290 -0.247 1.00 0.00 N ATOM 0 H GLN B 472 0.912 -4.366 -0.489 1.00 0.00 H new ATOM 0 HA GLN B 472 2.348 -4.200 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.411 -5.176 -2.131 1.00 0.00 H new ATOM 0 HB3 GLN B 472 0.134 -5.218 -3.796 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.501 -7.383 -2.796 1.00 0.00 H new ATOM 0 HG3 GLN B 472 2.053 -6.643 -3.133 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.255 -7.541 -0.611 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.880 -7.437 0.739 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.217 -2.168 -2.592 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.874 -1.004 -3.164 1.00 0.00 C ATOM 1384 C CYS B 473 0.117 0.149 -3.306 1.00 0.00 C ATOM 1385 O CYS B 473 0.336 0.658 -4.405 1.00 0.00 O ATOM 1386 CB CYS B 473 -2.059 -0.595 -2.286 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.253 -1.926 -2.004 1.00 0.00 S ATOM 0 H CYS B 473 -0.575 -2.445 -1.678 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.245 -1.256 -4.157 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.683 -0.247 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.571 0.247 -2.752 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.728 -2.821 -1.221 1.00 0.00 H new ATOM 1393 N VAL B 474 0.716 0.542 -2.185 1.00 0.00 N ATOM 1394 CA VAL B 474 1.731 1.578 -2.155 1.00 0.00 C ATOM 1395 C VAL B 474 2.852 1.314 -3.158 1.00 0.00 C ATOM 1396 O VAL B 474 3.201 2.193 -3.950 1.00 0.00 O ATOM 1397 CB VAL B 474 2.344 1.688 -0.743 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.490 2.679 -0.726 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.283 2.078 0.272 1.00 0.00 C ATOM 0 H VAL B 474 0.506 0.145 -1.269 1.00 0.00 H new ATOM 0 HA VAL B 474 1.237 2.511 -2.427 1.00 0.00 H new ATOM 0 HB VAL B 474 2.739 0.710 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL B 474 3.905 2.738 0.280 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.265 2.351 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.126 3.661 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL B 474 1.735 2.150 1.261 1.00 0.00 H new ATOM 0 HG22 VAL B 474 0.854 3.042 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.498 1.322 0.286 1.00 0.00 H new ATOM 1409 N ARG B 475 3.402 0.104 -3.133 1.00 0.00 N ATOM 1410 CA ARG B 475 4.557 -0.216 -3.960 1.00 0.00 C ATOM 1411 C ARG B 475 4.199 -0.194 -5.438 1.00 0.00 C ATOM 1412 O ARG B 475 5.021 0.184 -6.269 1.00 0.00 O ATOM 1413 CB ARG B 475 5.161 -1.567 -3.571 1.00 0.00 C ATOM 1414 CG ARG B 475 6.314 -1.992 -4.468 1.00 0.00 C ATOM 1415 CD ARG B 475 7.266 -2.934 -3.754 1.00 0.00 C ATOM 1416 NE ARG B 475 8.026 -2.248 -2.711 1.00 0.00 N ATOM 1417 CZ ARG B 475 9.117 -2.740 -2.135 1.00 0.00 C ATOM 1418 NH1 ARG B 475 9.604 -3.914 -2.516 1.00 0.00 N ATOM 1419 NH2 ARG B 475 9.733 -2.049 -1.186 1.00 0.00 N ATOM 0 H ARG B 475 3.068 -0.666 -2.553 1.00 0.00 H new ATOM 0 HA ARG B 475 5.309 0.553 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG B 475 5.511 -1.517 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG B 475 4.382 -2.329 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG B 475 5.920 -2.480 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG B 475 6.859 -1.109 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG B 475 6.702 -3.755 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG B 475 7.954 -3.372 -4.477 1.00 0.00 H new ATOM 0 HE ARG B 475 7.697 -1.332 -2.406 1.00 0.00 H new ATOM 0 HH11 ARG B 475 9.140 -4.443 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG B 475 10.442 -4.287 -2.070 1.00 0.00 H new ATOM 0 HH21 ARG B 475 9.369 -1.140 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG B 475 10.571 -2.426 -0.743 1.00 0.00 H new ATOM 1433 N TYR B 476 2.969 -0.574 -5.771 1.00 0.00 N ATOM 1434 CA TYR B 476 2.514 -0.496 -7.143 1.00 0.00 C ATOM 1435 C TYR B 476 2.551 0.953 -7.613 1.00 0.00 C ATOM 1436 O TYR B 476 3.031 1.249 -8.709 1.00 0.00 O ATOM 1437 CB TYR B 476 1.099 -1.069 -7.279 1.00 0.00 C ATOM 1438 CG TYR B 476 0.279 -0.363 -8.331 1.00 0.00 C ATOM 1439 CD1 TYR B 476 0.400 -0.678 -9.678 1.00 0.00 C ATOM 1440 CD2 TYR B 476 -0.592 0.652 -7.968 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -0.326 0.007 -10.634 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -1.325 1.335 -8.914 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.188 1.013 -10.246 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.907 1.707 -11.192 1.00 0.00 O ATOM 0 H TYR B 476 2.280 -0.935 -5.112 1.00 0.00 H new ATOM 0 HA TYR B 476 3.179 -1.091 -7.769 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.164 -2.129 -7.526 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.589 -0.996 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR B 476 1.070 -1.468 -9.983 1.00 0.00 H new ATOM 0 HD2 TYR B 476 -0.698 0.912 -6.925 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -0.219 -0.243 -11.679 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -2.004 2.119 -8.612 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.085 1.125 -11.960 1.00 0.00 H new ATOM 1454 N ILE B 477 2.048 1.850 -6.766 1.00 0.00 N ATOM 1455 CA ILE B 477 2.049 3.271 -7.075 1.00 0.00 C ATOM 1456 C ILE B 477 3.469 3.726 -7.320 1.00 0.00 C ATOM 1457 O ILE B 477 3.838 4.123 -8.417 1.00 0.00 O ATOM 1458 CB ILE B 477 1.513 4.135 -5.917 1.00 0.00 C ATOM 1459 CG1 ILE B 477 0.232 3.556 -5.310 1.00 0.00 C ATOM 1460 CG2 ILE B 477 1.283 5.557 -6.415 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -0.986 3.691 -6.182 1.00 0.00 C ATOM 0 H ILE B 477 1.636 1.614 -5.863 1.00 0.00 H new ATOM 0 HA ILE B 477 1.406 3.396 -7.946 1.00 0.00 H new ATOM 0 HB ILE B 477 2.259 4.142 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE B 477 0.393 2.500 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE B 477 0.039 4.052 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.904 6.172 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE B 477 2.224 5.973 -6.775 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.557 5.545 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -1.847 3.255 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -1.177 4.746 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -0.818 3.170 -7.125 1.00 0.00 H new ATOM 1473 N ILE B 478 4.259 3.617 -6.271 1.00 0.00 N ATOM 1474 CA ILE B 478 5.627 4.108 -6.258 1.00 0.00 C ATOM 1475 C ILE B 478 6.463 3.507 -7.386 1.00 0.00 C ATOM 1476 O ILE B 478 7.373 4.159 -7.900 1.00 0.00 O ATOM 1477 CB ILE B 478 6.286 3.824 -4.891 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.468 4.500 -3.787 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.733 4.299 -4.859 1.00 0.00 C ATOM 1480 CD1 ILE B 478 6.145 4.503 -2.440 1.00 0.00 C ATOM 0 H ILE B 478 3.970 3.182 -5.395 1.00 0.00 H new ATOM 0 HA ILE B 478 5.588 5.185 -6.420 1.00 0.00 H new ATOM 0 HB ILE B 478 6.299 2.747 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.260 5.529 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.507 3.994 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.165 4.083 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.303 3.781 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.767 5.373 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.504 4.999 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.328 3.476 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE B 478 7.093 5.036 -2.511 1.00 0.00 H new ATOM 1492 N LYS B 479 6.132 2.287 -7.787 1.00 0.00 N ATOM 1493 CA LYS B 479 6.863 1.596 -8.832 1.00 0.00 C ATOM 1494 C LYS B 479 6.824 2.359 -10.151 1.00 0.00 C ATOM 1495 O LYS B 479 7.846 2.501 -10.819 1.00 0.00 O ATOM 1496 CB LYS B 479 6.298 0.192 -9.024 1.00 0.00 C ATOM 1497 CG LYS B 479 7.181 -0.706 -9.865 1.00 0.00 C ATOM 1498 CD LYS B 479 6.603 -2.103 -9.966 1.00 0.00 C ATOM 1499 CE LYS B 479 7.590 -3.047 -10.617 1.00 0.00 C ATOM 1500 NZ LYS B 479 7.057 -4.428 -10.722 1.00 0.00 N ATOM 0 H LYS B 479 5.354 1.754 -7.398 1.00 0.00 H new ATOM 0 HA LYS B 479 7.905 1.530 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.151 -0.268 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.317 0.265 -9.493 1.00 0.00 H new ATOM 0 HG2 LYS B 479 7.290 -0.282 -10.863 1.00 0.00 H new ATOM 0 HG3 LYS B 479 8.178 -0.753 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS B 479 6.346 -2.468 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS B 479 5.680 -2.079 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS B 479 7.840 -2.679 -11.612 1.00 0.00 H new ATOM 0 HE3 LYS B 479 8.514 -3.059 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 7.766 -5.040 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 6.842 -4.790 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 6.189 -4.422 -11.295 1.00 0.00 H new ATOM 1514 N LYS B 480 5.654 2.858 -10.519 1.00 0.00 N ATOM 1515 CA LYS B 480 5.510 3.550 -11.791 1.00 0.00 C ATOM 1516 C LYS B 480 5.335 5.049 -11.598 1.00 0.00 C ATOM 1517 O LYS B 480 5.456 5.822 -12.545 1.00 0.00 O ATOM 1518 CB LYS B 480 4.339 2.962 -12.599 1.00 0.00 C ATOM 1519 CG LYS B 480 3.102 2.607 -11.775 1.00 0.00 C ATOM 1520 CD LYS B 480 2.352 3.831 -11.258 1.00 0.00 C ATOM 1521 CE LYS B 480 1.374 4.395 -12.284 1.00 0.00 C ATOM 1522 NZ LYS B 480 2.050 5.114 -13.396 1.00 0.00 N ATOM 0 H LYS B 480 4.801 2.798 -9.964 1.00 0.00 H new ATOM 0 HA LYS B 480 6.430 3.399 -12.355 1.00 0.00 H new ATOM 0 HB2 LYS B 480 4.052 3.679 -13.368 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.685 2.065 -13.112 1.00 0.00 H new ATOM 0 HG2 LYS B 480 2.427 2.006 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS B 480 3.402 1.989 -10.929 1.00 0.00 H new ATOM 0 HD2 LYS B 480 1.808 3.564 -10.352 1.00 0.00 H new ATOM 0 HD3 LYS B 480 3.070 4.603 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS B 480 0.777 3.581 -12.695 1.00 0.00 H new ATOM 0 HE3 LYS B 480 0.684 5.075 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 1.441 5.888 -13.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 2.953 5.504 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 2.229 4.453 -14.179 1.00 0.00 H new