USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 75 LYS NZ :NH3+ 176:sc= 1.42 (180deg=0.159) USER MOD Set 1.2: A 78 ASN : amide:sc= 1.88 K(o=3.3,f=-12!) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.739 (180deg=-1.35!) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0.765 (180deg=0.508) USER MOD Single : A 15 MET CE :methyl -141:sc= -0.138 (180deg=-1.46) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= -0.012 (180deg=-0.175) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0.572 (180deg=0.532) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.213! C(o=0.21!,f=-6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 142:sc= -1.45! (180deg=-4.63!) USER MOD Single : A 61 TYR OH : rot 49:sc= 1.17 USER MOD Single : A 62 SER OG : rot 104:sc= 1.3 USER MOD Single : A 64 ASN : amide:sc= -0.228 K(o=-0.23,f=-5.6!) USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= 2.01 (180deg=1.3) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 1.86 (180deg=1.72) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -105:sc= 0.845 (180deg=-0.224) USER MOD Single : A 72 ASN : amide:sc= -0.435 K(o=-0.44,f=-5.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.16 K(o=1.2,f=-0.029) USER MOD Single : A 87 ASN : amide:sc= -0.0616 K(o=-0.062,f=-1.7) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.429 10.100 6.300 1.00 0.00 N ATOM 67 CA PHE A 5 3.272 8.717 5.987 1.00 0.00 C ATOM 68 C PHE A 5 4.465 7.935 6.476 1.00 0.00 C ATOM 69 O PHE A 5 5.529 7.936 5.860 1.00 0.00 O ATOM 70 CB PHE A 5 3.049 8.520 4.492 1.00 0.00 C ATOM 71 CG PHE A 5 1.784 9.154 3.970 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.578 8.487 4.053 1.00 0.00 C ATOM 73 CD2 PHE A 5 1.807 10.412 3.386 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.583 9.055 3.566 1.00 0.00 C ATOM 75 CE2 PHE A 5 0.648 10.987 2.898 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.548 10.307 2.988 1.00 0.00 C ATOM 0 HA PHE A 5 2.387 8.340 6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.900 8.933 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.023 7.452 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.542 7.507 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.741 10.949 3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.518 8.519 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.680 11.968 2.447 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.455 10.753 2.607 1.00 0.00 H new ATOM 86 N LYS A 6 4.276 7.284 7.590 1.00 0.00 N ATOM 87 CA LYS A 6 5.332 6.534 8.232 1.00 0.00 C ATOM 88 C LYS A 6 5.257 5.092 7.795 1.00 0.00 C ATOM 89 O LYS A 6 4.158 4.592 7.554 1.00 0.00 O ATOM 90 CB LYS A 6 5.204 6.555 9.782 1.00 0.00 C ATOM 91 CG LYS A 6 5.183 7.933 10.455 1.00 0.00 C ATOM 92 CD LYS A 6 3.832 8.676 10.351 1.00 0.00 C ATOM 93 CE LYS A 6 2.768 8.182 11.336 1.00 0.00 C ATOM 94 NZ LYS A 6 2.233 6.828 11.032 1.00 0.00 N ATOM 0 H LYS A 6 3.384 7.255 8.084 1.00 0.00 H new ATOM 0 HA LYS A 6 6.276 6.997 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.289 6.030 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.035 5.986 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.437 7.813 11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.960 8.553 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.001 9.740 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.449 8.570 9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.194 8.174 12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.941 8.892 11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.368 6.664 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.013 6.761 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.944 6.110 11.280 1.00 0.00 H new ATOM 108 N PRO A 7 6.403 4.407 7.664 1.00 0.00 N ATOM 109 CA PRO A 7 6.429 2.965 7.411 1.00 0.00 C ATOM 110 C PRO A 7 5.587 2.244 8.466 1.00 0.00 C ATOM 111 O PRO A 7 5.794 2.422 9.674 1.00 0.00 O ATOM 112 CB PRO A 7 7.905 2.605 7.577 1.00 0.00 C ATOM 113 CG PRO A 7 8.637 3.853 7.250 1.00 0.00 C ATOM 114 CD PRO A 7 7.759 4.983 7.709 1.00 0.00 C ATOM 0 HA PRO A 7 6.030 2.686 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.120 2.275 8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.192 1.792 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.604 3.881 7.753 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.833 3.921 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.022 5.312 8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.848 5.851 7.056 1.00 0.00 H new ATOM 122 N GLY A 8 4.609 1.515 8.015 1.00 0.00 N ATOM 123 CA GLY A 8 3.721 0.843 8.908 1.00 0.00 C ATOM 124 C GLY A 8 2.345 1.456 8.905 1.00 0.00 C ATOM 125 O GLY A 8 1.416 0.890 9.472 1.00 0.00 O ATOM 0 H GLY A 8 4.408 1.372 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.650 -0.208 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.130 0.875 9.918 1.00 0.00 H new ATOM 129 N ASP A 9 2.209 2.610 8.265 1.00 0.00 N ATOM 130 CA ASP A 9 0.921 3.299 8.213 1.00 0.00 C ATOM 131 C ASP A 9 0.062 2.648 7.145 1.00 0.00 C ATOM 132 O ASP A 9 0.588 2.075 6.165 1.00 0.00 O ATOM 133 CB ASP A 9 1.095 4.784 7.890 1.00 0.00 C ATOM 134 CG ASP A 9 0.019 5.663 8.499 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.166 5.419 8.283 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.375 6.611 9.260 1.00 0.00 O ATOM 0 H ASP A 9 2.967 3.088 7.777 1.00 0.00 H new ATOM 0 HA ASP A 9 0.444 3.221 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.070 5.114 8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.092 4.916 6.808 1.00 0.00 H new ATOM 141 N LEU A 10 -1.215 2.744 7.306 1.00 0.00 N ATOM 142 CA LEU A 10 -2.150 2.102 6.433 1.00 0.00 C ATOM 143 C LEU A 10 -2.784 3.111 5.539 1.00 0.00 C ATOM 144 O LEU A 10 -3.357 4.112 6.001 1.00 0.00 O ATOM 145 CB LEU A 10 -3.194 1.390 7.257 1.00 0.00 C ATOM 146 CG LEU A 10 -2.671 0.286 8.170 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.809 -0.363 8.924 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.885 -0.741 7.367 1.00 0.00 C ATOM 0 H LEU A 10 -1.649 3.278 8.059 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.631 1.372 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.714 2.127 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.933 0.959 6.581 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.995 0.729 8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.416 -1.148 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.317 0.386 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.515 -0.796 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.519 -1.522 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.532 -1.184 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.040 -0.253 6.881 1.00 0.00 H new ATOM 160 N ILE A 11 -2.715 2.858 4.271 1.00 0.00 N ATOM 161 CA ILE A 11 -3.177 3.788 3.299 1.00 0.00 C ATOM 162 C ILE A 11 -3.886 3.092 2.140 1.00 0.00 C ATOM 163 O ILE A 11 -4.141 1.890 2.154 1.00 0.00 O ATOM 164 CB ILE A 11 -1.986 4.563 2.693 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.950 3.567 2.198 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.371 5.528 3.701 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.072 4.093 1.130 1.00 0.00 C ATOM 0 H ILE A 11 -2.334 1.995 3.882 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.870 4.455 3.812 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.346 5.164 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.333 3.252 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.462 2.679 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.536 6.055 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.123 6.249 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.013 4.971 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.639 3.323 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.677 4.381 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.470 4.963 1.500 1.00 0.00 H new ATOM 179 N PHE A 12 -4.188 3.882 1.166 1.00 0.00 N ATOM 180 CA PHE A 12 -4.705 3.479 -0.084 1.00 0.00 C ATOM 181 C PHE A 12 -3.804 4.069 -1.106 1.00 0.00 C ATOM 182 O PHE A 12 -3.420 5.237 -0.991 1.00 0.00 O ATOM 183 CB PHE A 12 -6.117 3.982 -0.307 1.00 0.00 C ATOM 184 CG PHE A 12 -7.149 3.328 0.554 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.562 2.036 0.282 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.716 3.998 1.620 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.515 1.423 1.057 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.675 3.385 2.399 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.073 2.098 2.116 1.00 0.00 C ATOM 0 H PHE A 12 -4.070 4.893 1.234 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.749 2.391 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.139 5.057 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.383 3.828 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.129 1.502 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.407 5.008 1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.825 0.413 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.114 3.915 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.824 1.619 2.726 1.00 0.00 H new ATOM 199 N ALA A 13 -3.441 3.294 -2.049 1.00 0.00 N ATOM 200 CA ALA A 13 -2.524 3.696 -3.049 1.00 0.00 C ATOM 201 C ALA A 13 -3.209 3.765 -4.385 1.00 0.00 C ATOM 202 O ALA A 13 -4.065 2.935 -4.701 1.00 0.00 O ATOM 203 CB ALA A 13 -1.413 2.711 -3.074 1.00 0.00 C ATOM 0 H ALA A 13 -3.779 2.337 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.132 4.689 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.690 2.997 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.923 2.690 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.809 1.721 -3.302 1.00 0.00 H new ATOM 209 N LYS A 14 -2.850 4.741 -5.160 1.00 0.00 N ATOM 210 CA LYS A 14 -3.459 4.951 -6.428 1.00 0.00 C ATOM 211 C LYS A 14 -2.458 4.700 -7.562 1.00 0.00 C ATOM 212 O LYS A 14 -1.466 5.388 -7.684 1.00 0.00 O ATOM 213 CB LYS A 14 -4.006 6.397 -6.465 1.00 0.00 C ATOM 214 CG LYS A 14 -4.895 6.753 -7.649 1.00 0.00 C ATOM 215 CD LYS A 14 -4.139 6.828 -8.955 1.00 0.00 C ATOM 216 CE LYS A 14 -5.096 7.095 -10.094 1.00 0.00 C ATOM 217 NZ LYS A 14 -5.991 5.922 -10.311 1.00 0.00 N ATOM 0 H LYS A 14 -2.122 5.416 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.279 4.248 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.570 6.573 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.159 7.083 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.688 6.010 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.377 7.712 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.390 7.619 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.605 5.894 -9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.693 7.980 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.536 7.306 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.535 6.058 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.418 5.058 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.645 5.831 -9.508 1.00 0.00 H new ATOM 231 N MET A 15 -2.744 3.724 -8.394 1.00 0.00 N ATOM 232 CA MET A 15 -1.947 3.487 -9.589 1.00 0.00 C ATOM 233 C MET A 15 -2.721 3.855 -10.843 1.00 0.00 C ATOM 234 O MET A 15 -3.970 3.969 -10.827 1.00 0.00 O ATOM 235 CB MET A 15 -1.424 2.061 -9.695 1.00 0.00 C ATOM 236 CG MET A 15 -0.433 1.686 -8.631 1.00 0.00 C ATOM 237 SD MET A 15 0.341 0.089 -8.946 1.00 0.00 S ATOM 238 CE MET A 15 -1.088 -0.989 -8.932 1.00 0.00 C ATOM 0 H MET A 15 -3.523 3.077 -8.270 1.00 0.00 H new ATOM 0 HA MET A 15 -1.076 4.136 -9.498 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.268 1.373 -9.648 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.958 1.929 -10.672 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.338 2.454 -8.569 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.935 1.659 -7.664 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.832 -1.926 -8.436 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.904 -0.505 -8.395 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.399 -1.194 -9.956 1.00 0.00 H new ATOM 248 N LYS A 16 -1.997 4.103 -11.908 1.00 0.00 N ATOM 249 CA LYS A 16 -2.581 4.445 -13.193 1.00 0.00 C ATOM 250 C LYS A 16 -3.311 3.228 -13.768 1.00 0.00 C ATOM 251 O LYS A 16 -2.701 2.210 -14.035 1.00 0.00 O ATOM 252 CB LYS A 16 -1.471 4.916 -14.153 1.00 0.00 C ATOM 253 CG LYS A 16 -1.934 5.255 -15.568 1.00 0.00 C ATOM 254 CD LYS A 16 -0.762 5.720 -16.428 1.00 0.00 C ATOM 255 CE LYS A 16 -1.183 6.003 -17.867 1.00 0.00 C ATOM 256 NZ LYS A 16 -1.666 4.774 -18.564 1.00 0.00 N ATOM 0 H LYS A 16 -0.977 4.074 -11.912 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.301 5.253 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.992 5.796 -13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.711 4.137 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.399 4.380 -16.022 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.694 6.036 -15.529 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.329 6.621 -15.993 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.017 4.957 -16.422 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.972 6.755 -17.872 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.339 6.422 -18.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.764 4.968 -19.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.982 4.003 -18.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.589 4.494 -18.174 1.00 0.00 H new ATOM 270 N GLY A 17 -4.618 3.354 -13.943 1.00 0.00 N ATOM 271 CA GLY A 17 -5.417 2.248 -14.459 1.00 0.00 C ATOM 272 C GLY A 17 -5.972 1.384 -13.340 1.00 0.00 C ATOM 273 O GLY A 17 -6.690 0.404 -13.577 1.00 0.00 O ATOM 0 H GLY A 17 -5.146 4.202 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.239 2.641 -15.057 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.805 1.636 -15.122 1.00 0.00 H new ATOM 277 N TYR A 18 -5.628 1.740 -12.123 1.00 0.00 N ATOM 278 CA TYR A 18 -6.059 1.013 -10.963 1.00 0.00 C ATOM 279 C TYR A 18 -6.863 1.906 -10.024 1.00 0.00 C ATOM 280 O TYR A 18 -6.671 3.149 -10.005 1.00 0.00 O ATOM 281 CB TYR A 18 -4.845 0.439 -10.215 1.00 0.00 C ATOM 282 CG TYR A 18 -4.129 -0.682 -10.941 1.00 0.00 C ATOM 283 CD1 TYR A 18 -3.253 -0.431 -11.993 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.336 -1.997 -10.569 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.617 -1.461 -12.651 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.699 -3.031 -11.214 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.845 -2.761 -12.254 1.00 0.00 C ATOM 288 OH TYR A 18 -2.231 -3.793 -12.908 1.00 0.00 O ATOM 0 H TYR A 18 -5.039 2.546 -11.915 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.699 0.196 -11.297 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.135 1.245 -10.029 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.174 0.073 -9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.069 0.588 -12.299 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.012 -2.217 -9.756 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.946 -1.252 -13.471 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.870 -4.051 -10.904 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.499 -4.643 -12.502 1.00 0.00 H new ATOM 298 N PRO A 19 -7.804 1.310 -9.268 1.00 0.00 N ATOM 299 CA PRO A 19 -8.540 2.000 -8.215 1.00 0.00 C ATOM 300 C PRO A 19 -7.640 2.189 -6.998 1.00 0.00 C ATOM 301 O PRO A 19 -6.501 1.702 -6.987 1.00 0.00 O ATOM 302 CB PRO A 19 -9.700 1.040 -7.866 1.00 0.00 C ATOM 303 CG PRO A 19 -9.650 -0.047 -8.883 1.00 0.00 C ATOM 304 CD PRO A 19 -8.238 -0.095 -9.375 1.00 0.00 C ATOM 0 HA PRO A 19 -8.890 2.986 -8.521 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.585 0.639 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.658 1.558 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.943 -1.002 -8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.341 0.154 -9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.621 -0.756 -8.767 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.180 -0.459 -10.401 1.00 0.00 H new ATOM 312 N HIS A 20 -8.106 2.939 -6.023 1.00 0.00 N ATOM 313 CA HIS A 20 -7.352 3.121 -4.795 1.00 0.00 C ATOM 314 C HIS A 20 -7.303 1.791 -4.059 1.00 0.00 C ATOM 315 O HIS A 20 -8.311 1.301 -3.577 1.00 0.00 O ATOM 316 CB HIS A 20 -7.979 4.229 -3.934 1.00 0.00 C ATOM 317 CG HIS A 20 -7.894 5.594 -4.564 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.837 6.116 -5.439 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.930 6.530 -4.469 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.402 7.318 -5.843 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.255 7.614 -5.285 1.00 0.00 N ATOM 0 H HIS A 20 -8.999 3.432 -6.053 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.334 3.438 -5.021 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.025 3.987 -3.748 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.481 4.252 -2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.044 6.453 -3.857 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.928 7.957 -6.537 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.709 8.465 -5.420 1.00 0.00 H new ATOM 329 N TRP A 21 -6.132 1.234 -4.019 1.00 0.00 N ATOM 330 CA TRP A 21 -5.883 -0.098 -3.525 1.00 0.00 C ATOM 331 C TRP A 21 -5.382 0.003 -2.097 1.00 0.00 C ATOM 332 O TRP A 21 -4.572 0.880 -1.806 1.00 0.00 O ATOM 333 CB TRP A 21 -4.781 -0.693 -4.418 1.00 0.00 C ATOM 334 CG TRP A 21 -4.595 -2.182 -4.369 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.179 -2.946 -3.315 1.00 0.00 C ATOM 336 CD2 TRP A 21 -4.761 -3.077 -5.469 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.120 -4.264 -3.690 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.464 -4.366 -5.010 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.149 -2.908 -6.802 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -4.537 -5.477 -5.835 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.221 -4.018 -7.619 1.00 0.00 C ATOM 342 CH2 TRP A 21 -4.917 -5.287 -7.132 1.00 0.00 C ATOM 0 H TRP A 21 -5.287 1.707 -4.340 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.780 -0.717 -3.544 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.992 -0.412 -5.450 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.835 -0.224 -4.147 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.933 -2.568 -2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.862 -5.042 -3.083 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.388 -1.927 -7.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.300 -6.463 -5.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -5.517 -3.901 -8.651 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.983 -6.138 -7.794 1.00 0.00 H new ATOM 353 N PRO A 22 -5.849 -0.853 -1.182 1.00 0.00 N ATOM 354 CA PRO A 22 -5.372 -0.840 0.194 1.00 0.00 C ATOM 355 C PRO A 22 -3.888 -1.211 0.241 1.00 0.00 C ATOM 356 O PRO A 22 -3.488 -2.314 -0.164 1.00 0.00 O ATOM 357 CB PRO A 22 -6.231 -1.904 0.900 1.00 0.00 C ATOM 358 CG PRO A 22 -6.803 -2.752 -0.189 1.00 0.00 C ATOM 359 CD PRO A 22 -6.861 -1.899 -1.424 1.00 0.00 C ATOM 0 HA PRO A 22 -5.459 0.138 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.629 -2.501 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.021 -1.440 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.184 -3.633 -0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.797 -3.108 0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.632 -2.477 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.853 -1.470 -1.567 1.00 0.00 H new ATOM 367 N ALA A 23 -3.079 -0.301 0.711 1.00 0.00 N ATOM 368 CA ALA A 23 -1.680 -0.485 0.712 1.00 0.00 C ATOM 369 C ALA A 23 -1.079 -0.057 2.031 1.00 0.00 C ATOM 370 O ALA A 23 -1.736 0.566 2.866 1.00 0.00 O ATOM 371 CB ALA A 23 -1.084 0.295 -0.424 1.00 0.00 C ATOM 0 H ALA A 23 -3.388 0.589 1.103 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.457 -1.544 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.003 0.159 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.501 -0.059 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.316 1.353 -0.300 1.00 0.00 H new ATOM 377 N ARG A 24 0.131 -0.426 2.228 1.00 0.00 N ATOM 378 CA ARG A 24 0.856 -0.099 3.414 1.00 0.00 C ATOM 379 C ARG A 24 2.013 0.792 3.027 1.00 0.00 C ATOM 380 O ARG A 24 2.598 0.608 1.954 1.00 0.00 O ATOM 381 CB ARG A 24 1.415 -1.390 4.012 1.00 0.00 C ATOM 382 CG ARG A 24 2.116 -1.235 5.342 1.00 0.00 C ATOM 383 CD ARG A 24 2.824 -2.520 5.733 1.00 0.00 C ATOM 384 NE ARG A 24 3.432 -2.411 7.060 1.00 0.00 N ATOM 385 CZ ARG A 24 4.732 -2.170 7.285 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.597 -2.154 6.294 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.180 -1.983 8.516 1.00 0.00 N ATOM 0 H ARG A 24 0.665 -0.978 1.557 1.00 0.00 H new ATOM 0 HA ARG A 24 0.210 0.402 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.596 -2.100 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.115 -1.828 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.838 -0.420 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.391 -0.966 6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.113 -3.346 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.593 -2.752 4.996 1.00 0.00 H new ATOM 0 HE ARG A 24 2.824 -2.526 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.282 -2.326 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.583 -1.969 6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.535 -2.022 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.171 -1.800 8.676 1.00 0.00 H new ATOM 401 N VAL A 25 2.316 1.769 3.841 1.00 0.00 N ATOM 402 CA VAL A 25 3.538 2.511 3.640 1.00 0.00 C ATOM 403 C VAL A 25 4.605 1.605 4.182 1.00 0.00 C ATOM 404 O VAL A 25 4.537 1.215 5.348 1.00 0.00 O ATOM 405 CB VAL A 25 3.562 3.851 4.410 1.00 0.00 C ATOM 406 CG1 VAL A 25 4.845 4.619 4.102 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.347 4.686 4.066 1.00 0.00 C ATOM 0 H VAL A 25 1.749 2.067 4.634 1.00 0.00 H new ATOM 0 HA VAL A 25 3.664 2.775 2.590 1.00 0.00 H new ATOM 0 HB VAL A 25 3.536 3.635 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.847 5.560 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.707 4.023 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.899 4.823 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.383 5.625 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.340 4.894 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.443 4.141 4.336 1.00 0.00 H new ATOM 417 N ASP A 26 5.525 1.221 3.374 1.00 0.00 N ATOM 418 CA ASP A 26 6.454 0.202 3.792 1.00 0.00 C ATOM 419 C ASP A 26 7.792 0.815 4.181 1.00 0.00 C ATOM 420 O ASP A 26 7.956 2.043 4.135 1.00 0.00 O ATOM 421 CB ASP A 26 6.600 -0.859 2.695 1.00 0.00 C ATOM 422 CG ASP A 26 6.930 -2.216 3.267 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.003 -2.891 3.801 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.093 -2.617 3.269 1.00 0.00 O ATOM 0 H ASP A 26 5.665 1.582 2.430 1.00 0.00 H new ATOM 0 HA ASP A 26 6.064 -0.293 4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.674 -0.921 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.384 -0.557 2.000 1.00 0.00 H new ATOM 429 N GLU A 27 8.726 -0.012 4.572 1.00 0.00 N ATOM 430 CA GLU A 27 10.016 0.423 4.991 1.00 0.00 C ATOM 431 C GLU A 27 10.977 0.448 3.815 1.00 0.00 C ATOM 432 O GLU A 27 10.679 -0.046 2.727 1.00 0.00 O ATOM 433 CB GLU A 27 10.597 -0.528 6.056 1.00 0.00 C ATOM 434 CG GLU A 27 9.829 -0.630 7.370 1.00 0.00 C ATOM 435 CD GLU A 27 8.518 -1.382 7.301 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.375 -2.312 6.490 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.598 -1.050 8.049 1.00 0.00 O ATOM 0 H GLU A 27 8.601 -1.024 4.606 1.00 0.00 H new ATOM 0 HA GLU A 27 9.901 1.424 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.664 -1.526 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.615 -0.208 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.468 -1.116 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.631 0.378 7.734 1.00 0.00 H new ATOM 597 N LYS A 39 8.810 9.814 -3.793 1.00 0.00 N ATOM 598 CA LYS A 39 7.740 8.894 -3.691 1.00 0.00 C ATOM 599 C LYS A 39 8.124 7.936 -2.588 1.00 0.00 C ATOM 600 O LYS A 39 9.331 7.737 -2.334 1.00 0.00 O ATOM 601 CB LYS A 39 7.525 8.128 -5.016 1.00 0.00 C ATOM 602 CG LYS A 39 7.492 9.018 -6.267 1.00 0.00 C ATOM 603 CD LYS A 39 7.010 8.273 -7.500 1.00 0.00 C ATOM 604 CE LYS A 39 5.499 8.164 -7.507 1.00 0.00 C ATOM 605 NZ LYS A 39 4.819 9.487 -7.622 1.00 0.00 N ATOM 0 HA LYS A 39 6.804 9.409 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.322 7.393 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.588 7.575 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.839 9.872 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.490 9.414 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.346 8.792 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.451 7.276 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.190 7.530 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.172 7.672 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.789 9.346 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.061 10.075 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.132 9.964 -8.492 1.00 0.00 H new ATOM 619 N LEU A 40 7.151 7.370 -1.958 1.00 0.00 N ATOM 620 CA LEU A 40 7.343 6.499 -0.817 1.00 0.00 C ATOM 621 C LEU A 40 7.166 5.049 -1.241 1.00 0.00 C ATOM 622 O LEU A 40 6.505 4.780 -2.260 1.00 0.00 O ATOM 623 CB LEU A 40 6.298 6.854 0.252 1.00 0.00 C ATOM 624 CG LEU A 40 6.349 8.285 0.799 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.151 8.547 1.679 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.628 8.515 1.591 1.00 0.00 C ATOM 0 H LEU A 40 6.172 7.494 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 40 8.348 6.630 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.307 6.683 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.414 6.164 1.087 1.00 0.00 H new ATOM 0 HG LEU A 40 6.334 8.974 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.197 9.566 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.238 8.419 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.152 7.845 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.643 9.537 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.668 7.817 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.490 8.355 0.944 1.00 0.00 H new ATOM 638 N PRO A 41 7.787 4.094 -0.516 1.00 0.00 N ATOM 639 CA PRO A 41 7.582 2.683 -0.786 1.00 0.00 C ATOM 640 C PRO A 41 6.177 2.275 -0.355 1.00 0.00 C ATOM 641 O PRO A 41 5.780 2.443 0.811 1.00 0.00 O ATOM 642 CB PRO A 41 8.647 1.983 0.073 1.00 0.00 C ATOM 643 CG PRO A 41 8.980 2.952 1.157 1.00 0.00 C ATOM 644 CD PRO A 41 8.731 4.324 0.600 1.00 0.00 C ATOM 0 HA PRO A 41 7.671 2.427 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.267 1.048 0.485 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.529 1.736 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.363 2.774 2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.019 2.843 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.305 4.988 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.655 4.787 0.252 1.00 0.00 H new ATOM 652 N ILE A 42 5.434 1.763 -1.279 1.00 0.00 N ATOM 653 CA ILE A 42 4.074 1.399 -1.048 1.00 0.00 C ATOM 654 C ILE A 42 3.920 -0.076 -1.271 1.00 0.00 C ATOM 655 O ILE A 42 4.125 -0.568 -2.368 1.00 0.00 O ATOM 656 CB ILE A 42 3.120 2.144 -2.014 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.331 3.669 -1.960 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.668 1.790 -1.722 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.135 4.295 -0.596 1.00 0.00 C ATOM 0 H ILE A 42 5.758 1.583 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 42 3.817 1.670 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 42 3.358 1.815 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.341 3.893 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.643 4.141 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.017 2.325 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.523 0.717 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.423 2.074 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.305 5.370 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.117 4.109 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.841 3.858 0.110 1.00 0.00 H new ATOM 671 N PHE A 43 3.575 -0.754 -0.257 1.00 0.00 N ATOM 672 CA PHE A 43 3.381 -2.168 -0.307 1.00 0.00 C ATOM 673 C PHE A 43 1.921 -2.462 -0.577 1.00 0.00 C ATOM 674 O PHE A 43 1.050 -2.012 0.168 1.00 0.00 O ATOM 675 CB PHE A 43 3.825 -2.798 1.017 1.00 0.00 C ATOM 676 CG PHE A 43 3.498 -4.249 1.137 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.304 -5.196 0.558 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.363 -4.658 1.816 1.00 0.00 C ATOM 679 CE1 PHE A 43 3.991 -6.523 0.653 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.043 -5.983 1.912 1.00 0.00 C ATOM 681 CZ PHE A 43 2.856 -6.922 1.331 1.00 0.00 C ATOM 0 H PHE A 43 3.411 -0.346 0.663 1.00 0.00 H new ATOM 0 HA PHE A 43 3.981 -2.596 -1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.902 -2.668 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.354 -2.260 1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.192 -4.891 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.722 -3.920 2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.633 -7.262 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.154 -6.289 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.609 -7.971 1.403 1.00 0.00 H new ATOM 691 N PHE A 44 1.648 -3.177 -1.633 1.00 0.00 N ATOM 692 CA PHE A 44 0.274 -3.536 -1.950 1.00 0.00 C ATOM 693 C PHE A 44 -0.155 -4.829 -1.290 1.00 0.00 C ATOM 694 O PHE A 44 0.475 -5.885 -1.467 1.00 0.00 O ATOM 695 CB PHE A 44 0.029 -3.631 -3.448 1.00 0.00 C ATOM 696 CG PHE A 44 0.027 -2.323 -4.151 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.068 -1.486 -4.060 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.100 -1.927 -4.906 1.00 0.00 C ATOM 699 CE1 PHE A 44 -1.084 -0.281 -4.709 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.083 -0.720 -5.554 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.008 0.102 -5.455 1.00 0.00 C ATOM 0 H PHE A 44 2.346 -3.525 -2.291 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.332 -2.724 -1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.796 -4.267 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.929 -4.123 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.921 -1.786 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.964 -2.570 -4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.946 0.365 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.934 -0.415 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.016 1.053 -5.967 1.00 0.00 H new ATOM 711 N PHE A 45 -1.235 -4.755 -0.553 1.00 0.00 N ATOM 712 CA PHE A 45 -1.807 -5.919 0.066 1.00 0.00 C ATOM 713 C PHE A 45 -2.513 -6.757 -0.984 1.00 0.00 C ATOM 714 O PHE A 45 -2.949 -6.233 -2.017 1.00 0.00 O ATOM 715 CB PHE A 45 -2.799 -5.527 1.155 1.00 0.00 C ATOM 716 CG PHE A 45 -2.172 -4.923 2.356 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.534 -5.719 3.273 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.225 -3.570 2.574 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.957 -5.181 4.389 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.648 -3.020 3.692 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.013 -3.828 4.602 1.00 0.00 C ATOM 0 H PHE A 45 -1.739 -3.888 -0.367 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.003 -6.496 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.518 -4.821 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.359 -6.412 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.487 -6.786 3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.725 -2.932 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.458 -5.821 5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.694 -1.953 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.559 -3.399 5.483 1.00 0.00 H new ATOM 731 N GLY A 46 -2.592 -8.040 -0.744 1.00 0.00 N ATOM 732 CA GLY A 46 -3.255 -8.972 -1.632 1.00 0.00 C ATOM 733 C GLY A 46 -2.421 -9.374 -2.820 1.00 0.00 C ATOM 734 O GLY A 46 -2.674 -10.398 -3.433 1.00 0.00 O ATOM 0 H GLY A 46 -2.193 -8.478 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.525 -9.866 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.184 -8.525 -1.986 1.00 0.00 H new ATOM 738 N THR A 47 -1.430 -8.591 -3.144 1.00 0.00 N ATOM 739 CA THR A 47 -0.526 -8.945 -4.200 1.00 0.00 C ATOM 740 C THR A 47 0.868 -9.130 -3.651 1.00 0.00 C ATOM 741 O THR A 47 1.663 -9.834 -4.226 1.00 0.00 O ATOM 742 CB THR A 47 -0.522 -7.866 -5.291 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.412 -6.575 -4.671 1.00 0.00 O ATOM 744 CG2 THR A 47 -1.791 -7.929 -6.127 1.00 0.00 C ATOM 0 H THR A 47 -1.228 -7.700 -2.689 1.00 0.00 H new ATOM 0 HA THR A 47 -0.862 -9.884 -4.641 1.00 0.00 H new ATOM 0 HB THR A 47 0.327 -8.038 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.407 -5.880 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.761 -7.153 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.865 -8.906 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.658 -7.772 -5.485 1.00 0.00 H new ATOM 752 N HIS A 48 1.121 -8.500 -2.486 1.00 0.00 N ATOM 753 CA HIS A 48 2.395 -8.597 -1.747 1.00 0.00 C ATOM 754 C HIS A 48 3.528 -7.878 -2.466 1.00 0.00 C ATOM 755 O HIS A 48 4.694 -8.011 -2.095 1.00 0.00 O ATOM 756 CB HIS A 48 2.791 -10.057 -1.416 1.00 0.00 C ATOM 757 CG HIS A 48 1.854 -10.778 -0.499 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.023 -12.102 -0.132 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.739 -10.360 0.136 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.046 -12.452 0.690 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.266 -11.412 0.862 1.00 0.00 N ATOM 0 H HIS A 48 0.436 -7.901 -2.026 1.00 0.00 H new ATOM 0 HA HIS A 48 2.224 -8.091 -0.797 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.865 -10.617 -2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.784 -10.054 -0.966 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.302 -9.374 0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.914 -13.425 1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.568 -11.393 1.450 1.00 0.00 H new ATOM 770 N GLU A 49 3.171 -7.067 -3.426 1.00 0.00 N ATOM 771 CA GLU A 49 4.135 -6.335 -4.204 1.00 0.00 C ATOM 772 C GLU A 49 4.404 -4.975 -3.626 1.00 0.00 C ATOM 773 O GLU A 49 3.683 -4.509 -2.758 1.00 0.00 O ATOM 774 CB GLU A 49 3.676 -6.192 -5.631 1.00 0.00 C ATOM 775 CG GLU A 49 3.754 -7.479 -6.422 1.00 0.00 C ATOM 776 CD GLU A 49 5.112 -8.142 -6.279 1.00 0.00 C ATOM 777 OE1 GLU A 49 6.122 -7.515 -6.657 1.00 0.00 O ATOM 778 OE2 GLU A 49 5.174 -9.269 -5.733 1.00 0.00 O ATOM 0 H GLU A 49 2.201 -6.895 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 49 5.062 -6.908 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.647 -5.832 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.283 -5.434 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.977 -8.163 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.558 -7.272 -7.474 1.00 0.00 H new ATOM 785 N THR A 50 5.429 -4.327 -4.111 1.00 0.00 N ATOM 786 CA THR A 50 5.768 -3.015 -3.633 1.00 0.00 C ATOM 787 C THR A 50 5.946 -2.058 -4.817 1.00 0.00 C ATOM 788 O THR A 50 6.461 -2.432 -5.863 1.00 0.00 O ATOM 789 CB THR A 50 7.048 -3.048 -2.790 1.00 0.00 C ATOM 790 OG1 THR A 50 7.009 -4.203 -1.936 1.00 0.00 O ATOM 791 CG2 THR A 50 7.140 -1.807 -1.911 1.00 0.00 C ATOM 0 H THR A 50 6.045 -4.688 -4.839 1.00 0.00 H new ATOM 0 HA THR A 50 4.953 -2.662 -3.001 1.00 0.00 H new ATOM 0 HB THR A 50 7.909 -3.083 -3.457 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.824 -4.236 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.055 -1.847 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.153 -0.916 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.278 -1.768 -1.245 1.00 0.00 H new ATOM 799 N ALA A 51 5.506 -0.855 -4.628 1.00 0.00 N ATOM 800 CA ALA A 51 5.530 0.187 -5.636 1.00 0.00 C ATOM 801 C ALA A 51 5.959 1.501 -5.014 1.00 0.00 C ATOM 802 O ALA A 51 6.254 1.553 -3.823 1.00 0.00 O ATOM 803 CB ALA A 51 4.158 0.345 -6.214 1.00 0.00 C ATOM 0 H ALA A 51 5.104 -0.549 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 51 6.237 -0.089 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.171 1.128 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.844 -0.595 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.459 0.618 -5.423 1.00 0.00 H new ATOM 809 N PHE A 52 6.004 2.552 -5.819 1.00 0.00 N ATOM 810 CA PHE A 52 6.380 3.873 -5.351 1.00 0.00 C ATOM 811 C PHE A 52 5.357 4.890 -5.761 1.00 0.00 C ATOM 812 O PHE A 52 5.149 5.132 -6.949 1.00 0.00 O ATOM 813 CB PHE A 52 7.762 4.282 -5.863 1.00 0.00 C ATOM 814 CG PHE A 52 8.866 3.349 -5.434 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.185 3.209 -4.091 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.574 2.609 -6.365 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.184 2.348 -3.685 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.578 1.747 -5.965 1.00 0.00 C ATOM 819 CZ PHE A 52 10.882 1.615 -4.624 1.00 0.00 C ATOM 0 H PHE A 52 5.781 2.511 -6.813 1.00 0.00 H new ATOM 0 HA PHE A 52 6.424 3.832 -4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.738 4.327 -6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.989 5.287 -5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.644 3.782 -3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.340 2.706 -7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.419 2.248 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.125 1.177 -6.701 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.664 0.940 -4.311 1.00 0.00 H new ATOM 829 N LEU A 53 4.718 5.475 -4.785 1.00 0.00 N ATOM 830 CA LEU A 53 3.735 6.510 -4.997 1.00 0.00 C ATOM 831 C LEU A 53 4.042 7.659 -4.073 1.00 0.00 C ATOM 832 O LEU A 53 4.648 7.458 -3.024 1.00 0.00 O ATOM 833 CB LEU A 53 2.325 5.981 -4.781 1.00 0.00 C ATOM 834 CG LEU A 53 1.880 4.909 -5.776 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.592 4.315 -5.335 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.730 5.497 -7.181 1.00 0.00 C ATOM 0 H LEU A 53 4.866 5.244 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 53 3.783 6.856 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.257 5.571 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.627 6.817 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 53 2.644 4.132 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.280 3.552 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.718 3.863 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.169 5.094 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.413 4.715 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.984 6.292 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.686 5.904 -7.509 1.00 0.00 H new ATOM 848 N GLY A 54 3.686 8.852 -4.467 1.00 0.00 N ATOM 849 CA GLY A 54 4.001 10.005 -3.676 1.00 0.00 C ATOM 850 C GLY A 54 2.959 10.243 -2.627 1.00 0.00 C ATOM 851 O GLY A 54 1.929 9.598 -2.645 1.00 0.00 O ATOM 0 H GLY A 54 3.179 9.048 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.973 9.870 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.079 10.881 -4.320 1.00 0.00 H new ATOM 855 N PRO A 55 3.166 11.212 -1.736 1.00 0.00 N ATOM 856 CA PRO A 55 2.234 11.483 -0.627 1.00 0.00 C ATOM 857 C PRO A 55 0.904 12.078 -1.096 1.00 0.00 C ATOM 858 O PRO A 55 -0.002 12.274 -0.315 1.00 0.00 O ATOM 859 CB PRO A 55 3.000 12.478 0.249 1.00 0.00 C ATOM 860 CG PRO A 55 3.951 13.151 -0.682 1.00 0.00 C ATOM 861 CD PRO A 55 4.330 12.121 -1.711 1.00 0.00 C ATOM 0 HA PRO A 55 1.952 10.568 -0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.325 13.197 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.529 11.970 1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.488 14.019 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.831 13.510 -0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.506 12.574 -2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.244 11.595 -1.434 1.00 0.00 H new ATOM 869 N LYS A 56 0.826 12.393 -2.371 1.00 0.00 N ATOM 870 CA LYS A 56 -0.410 12.914 -2.948 1.00 0.00 C ATOM 871 C LYS A 56 -1.144 11.778 -3.616 1.00 0.00 C ATOM 872 O LYS A 56 -2.304 11.891 -3.971 1.00 0.00 O ATOM 873 CB LYS A 56 -0.129 13.887 -4.077 1.00 0.00 C ATOM 874 CG LYS A 56 0.994 14.869 -3.886 1.00 0.00 C ATOM 875 CD LYS A 56 1.240 15.687 -5.174 1.00 0.00 C ATOM 876 CE LYS A 56 1.757 14.849 -6.396 1.00 0.00 C ATOM 877 NZ LYS A 56 0.766 13.858 -6.965 1.00 0.00 N ATOM 0 H LYS A 56 1.597 12.300 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.966 13.391 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.081 13.307 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.041 14.452 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.756 15.543 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.904 14.337 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.311 16.181 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.965 16.472 -4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.054 15.537 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.653 14.308 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.853 13.837 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.962 12.911 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.199 14.144 -6.704 1.00 0.00 H new ATOM 891 N ASP A 57 -0.420 10.710 -3.823 1.00 0.00 N ATOM 892 CA ASP A 57 -0.868 9.622 -4.668 1.00 0.00 C ATOM 893 C ASP A 57 -1.412 8.513 -3.782 1.00 0.00 C ATOM 894 O ASP A 57 -1.798 7.426 -4.246 1.00 0.00 O ATOM 895 CB ASP A 57 0.331 9.082 -5.499 1.00 0.00 C ATOM 896 CG ASP A 57 1.197 10.134 -6.263 1.00 0.00 C ATOM 897 OD1 ASP A 57 0.784 11.319 -6.433 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.383 9.793 -6.638 1.00 0.00 O ATOM 0 H ASP A 57 0.502 10.565 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.645 9.972 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.986 8.528 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.056 8.369 -6.227 1.00 0.00 H new ATOM 903 N ILE A 58 -1.392 8.789 -2.507 1.00 0.00 N ATOM 904 CA ILE A 58 -1.851 7.902 -1.480 1.00 0.00 C ATOM 905 C ILE A 58 -2.763 8.643 -0.516 1.00 0.00 C ATOM 906 O ILE A 58 -2.642 9.851 -0.330 1.00 0.00 O ATOM 907 CB ILE A 58 -0.666 7.325 -0.689 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.204 8.460 -0.146 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.139 6.374 -1.539 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.449 8.007 0.544 1.00 0.00 C ATOM 0 H ILE A 58 -1.041 9.675 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.397 7.090 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.053 6.756 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.479 9.117 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.388 9.054 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.971 5.980 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.497 5.551 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.525 6.903 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.006 8.875 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.186 7.375 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.066 7.440 -0.153 1.00 0.00 H new ATOM 922 N PHE A 59 -3.662 7.917 0.085 1.00 0.00 N ATOM 923 CA PHE A 59 -4.605 8.467 1.043 1.00 0.00 C ATOM 924 C PHE A 59 -4.668 7.527 2.232 1.00 0.00 C ATOM 925 O PHE A 59 -4.613 6.335 2.048 1.00 0.00 O ATOM 926 CB PHE A 59 -6.010 8.611 0.421 1.00 0.00 C ATOM 927 CG PHE A 59 -6.085 9.544 -0.770 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.755 9.103 -2.046 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.473 10.862 -0.606 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.810 9.957 -3.128 1.00 0.00 C ATOM 931 CE2 PHE A 59 -6.531 11.722 -1.687 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.199 11.268 -2.949 1.00 0.00 C ATOM 0 H PHE A 59 -3.770 6.915 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.273 9.459 1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.359 7.625 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.697 8.968 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.451 8.077 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.734 11.223 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.549 9.600 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.836 12.748 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.244 11.939 -3.794 1.00 0.00 H new ATOM 942 N PRO A 60 -4.763 8.038 3.456 1.00 0.00 N ATOM 943 CA PRO A 60 -4.784 7.204 4.669 1.00 0.00 C ATOM 944 C PRO A 60 -6.021 6.329 4.777 1.00 0.00 C ATOM 945 O PRO A 60 -7.146 6.806 4.612 1.00 0.00 O ATOM 946 CB PRO A 60 -4.714 8.214 5.811 1.00 0.00 C ATOM 947 CG PRO A 60 -5.209 9.490 5.231 1.00 0.00 C ATOM 948 CD PRO A 60 -4.847 9.469 3.770 1.00 0.00 C ATOM 0 HA PRO A 60 -3.960 6.491 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.329 7.899 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.695 8.319 6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.287 9.582 5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.753 10.345 5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.601 9.969 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.900 9.977 3.584 1.00 0.00 H new ATOM 956 N TYR A 61 -5.796 5.050 5.079 1.00 0.00 N ATOM 957 CA TYR A 61 -6.854 4.053 5.216 1.00 0.00 C ATOM 958 C TYR A 61 -7.815 4.461 6.297 1.00 0.00 C ATOM 959 O TYR A 61 -9.010 4.383 6.140 1.00 0.00 O ATOM 960 CB TYR A 61 -6.250 2.657 5.534 1.00 0.00 C ATOM 961 CG TYR A 61 -7.260 1.593 5.960 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.935 0.818 5.029 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.541 1.383 7.309 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.866 -0.128 5.429 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.458 0.442 7.709 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.117 -0.309 6.772 1.00 0.00 C ATOM 967 OH TYR A 61 -10.053 -1.211 7.183 1.00 0.00 O ATOM 0 H TYR A 61 -4.861 4.674 5.237 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.393 3.989 4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.719 2.299 4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.510 2.771 6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.732 0.953 3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.027 1.972 8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.391 -0.719 4.693 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.659 0.295 8.760 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.905 -2.066 6.728 1.00 0.00 H new ATOM 977 N SER A 62 -7.272 4.960 7.353 1.00 0.00 N ATOM 978 CA SER A 62 -8.009 5.331 8.512 1.00 0.00 C ATOM 979 C SER A 62 -9.080 6.400 8.227 1.00 0.00 C ATOM 980 O SER A 62 -10.212 6.300 8.717 1.00 0.00 O ATOM 981 CB SER A 62 -7.004 5.793 9.520 1.00 0.00 C ATOM 982 OG SER A 62 -5.893 6.381 8.834 1.00 0.00 O ATOM 0 H SER A 62 -6.269 5.127 7.437 1.00 0.00 H new ATOM 0 HA SER A 62 -8.576 4.479 8.886 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.455 6.518 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.669 4.954 10.130 1.00 0.00 H new ATOM 0 HG SER A 62 -5.940 7.357 8.912 1.00 0.00 H new ATOM 988 N GLU A 63 -8.728 7.392 7.440 1.00 0.00 N ATOM 989 CA GLU A 63 -9.643 8.467 7.115 1.00 0.00 C ATOM 990 C GLU A 63 -10.347 8.259 5.803 1.00 0.00 C ATOM 991 O GLU A 63 -11.140 9.091 5.392 1.00 0.00 O ATOM 992 CB GLU A 63 -8.945 9.823 7.100 1.00 0.00 C ATOM 993 CG GLU A 63 -8.367 10.218 8.425 1.00 0.00 C ATOM 994 CD GLU A 63 -6.882 9.997 8.538 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.440 8.856 8.658 1.00 0.00 O ATOM 996 OE2 GLU A 63 -6.132 10.992 8.524 1.00 0.00 O ATOM 0 H GLU A 63 -7.807 7.478 7.009 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.391 8.457 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.148 9.803 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.657 10.585 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.581 11.272 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.868 9.653 9.211 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.022 7.207 5.108 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.616 6.995 3.784 1.00 0.00 C ATOM 1005 C ASN A 64 -11.151 5.583 3.586 1.00 0.00 C ATOM 1006 O ASN A 64 -11.477 5.189 2.470 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.609 7.355 2.673 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.185 8.823 2.698 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.792 9.669 2.067 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.159 9.131 3.446 1.00 0.00 N ATOM 0 H ASN A 64 -9.366 6.487 5.411 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.475 7.663 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.725 6.726 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.051 7.128 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.849 10.100 3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.669 8.402 3.964 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.301 4.851 4.664 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.796 3.449 4.626 1.00 0.00 C ATOM 1019 C LYS A 65 -13.257 3.398 4.153 1.00 0.00 C ATOM 1020 O LYS A 65 -13.704 2.432 3.534 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.676 2.829 6.021 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.515 3.557 7.030 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.168 3.248 8.460 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.979 4.148 9.387 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.777 5.598 9.073 1.00 0.00 N ATOM 0 H LYS A 65 -11.090 5.188 5.603 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.190 2.882 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.981 1.783 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.633 2.845 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.410 4.630 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.563 3.309 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.377 2.201 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.102 3.402 8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.037 3.901 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.692 3.957 10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.050 6.173 9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.776 5.768 8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.364 5.861 8.256 1.00 0.00 H new ATOM 1039 N GLU A 66 -13.982 4.456 4.431 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.377 4.571 4.044 1.00 0.00 C ATOM 1041 C GLU A 66 -15.425 4.679 2.541 1.00 0.00 C ATOM 1042 O GLU A 66 -16.273 4.082 1.870 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.032 5.865 4.589 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.586 6.353 5.962 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.199 6.948 5.914 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.961 7.852 5.089 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -13.322 6.464 6.654 1.00 0.00 O ATOM 0 H GLU A 66 -13.623 5.267 4.934 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.907 3.705 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.847 6.664 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.110 5.709 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.290 7.099 6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.603 5.522 6.668 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.437 5.374 2.038 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.370 5.782 0.671 1.00 0.00 C ATOM 1056 C LYS A 67 -13.800 4.695 -0.205 1.00 0.00 C ATOM 1057 O LYS A 67 -14.472 4.183 -1.081 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.458 7.008 0.574 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.676 8.004 1.618 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.752 9.132 1.406 1.00 0.00 C ATOM 1061 CE LYS A 67 -13.102 10.242 2.300 1.00 0.00 C ATOM 1062 NZ LYS A 67 -13.032 9.892 3.749 1.00 0.00 N ATOM 0 H LYS A 67 -13.636 5.677 2.591 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.381 6.006 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.420 6.678 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.605 7.479 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.708 8.354 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.511 7.562 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.727 8.813 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.799 9.461 0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.431 11.079 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.111 10.581 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.324 10.712 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.666 9.091 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.057 9.629 3.996 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.588 4.295 0.089 1.00 0.00 N ATOM 1077 CA TYR A 68 -11.872 3.410 -0.791 1.00 0.00 C ATOM 1078 C TYR A 68 -11.817 2.019 -0.240 1.00 0.00 C ATOM 1079 O TYR A 68 -11.351 1.100 -0.896 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.473 3.952 -1.036 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.466 5.400 -1.472 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.084 5.794 -2.644 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -9.831 6.366 -0.712 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.070 7.115 -3.046 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -9.813 7.688 -1.102 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.432 8.056 -2.269 1.00 0.00 C ATOM 1087 OH TYR A 68 -10.408 9.365 -2.669 1.00 0.00 O ATOM 0 H TYR A 68 -12.079 4.568 0.929 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.405 3.361 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.886 3.851 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.984 3.347 -1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.585 5.058 -3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.339 6.078 0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.557 7.408 -3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.315 8.428 -0.493 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.919 9.900 -2.009 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.322 1.852 0.965 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.366 0.544 1.575 1.00 0.00 C ATOM 1099 C GLY A 69 -13.564 -0.227 1.065 1.00 0.00 C ATOM 1100 O GLY A 69 -14.449 -0.604 1.828 1.00 0.00 O ATOM 0 H GLY A 69 -12.706 2.604 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.450 -0.002 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.421 0.641 2.659 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.637 -0.370 -0.230 1.00 0.00 N ATOM 1105 CA LYS A 70 -14.731 -1.030 -0.909 1.00 0.00 C ATOM 1106 C LYS A 70 -14.174 -2.225 -1.671 1.00 0.00 C ATOM 1107 O LYS A 70 -12.987 -2.281 -1.917 1.00 0.00 O ATOM 1108 CB LYS A 70 -15.384 -0.058 -1.919 1.00 0.00 C ATOM 1109 CG LYS A 70 -15.964 1.259 -1.365 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.325 1.131 -0.641 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.233 0.575 0.777 1.00 0.00 C ATOM 1112 NZ LYS A 70 -16.347 1.395 1.640 1.00 0.00 N ATOM 0 H LYS A 70 -12.919 -0.022 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.476 -1.349 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.639 0.194 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.187 -0.591 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.242 1.691 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.075 1.963 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.797 2.113 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.977 0.486 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.230 0.535 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.859 -0.448 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.443 0.899 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.171 2.313 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.805 1.548 2.561 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.008 -3.215 -2.005 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.578 -4.339 -2.821 1.00 0.00 C ATOM 1128 C PRO A 71 -14.393 -3.945 -4.278 1.00 0.00 C ATOM 1129 O PRO A 71 -14.842 -2.879 -4.717 1.00 0.00 O ATOM 1130 CB PRO A 71 -15.720 -5.333 -2.733 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.911 -4.550 -2.298 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.402 -3.334 -1.579 1.00 0.00 C ATOM 0 HA PRO A 71 -13.622 -4.728 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.897 -5.810 -3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.493 -6.127 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.518 -4.264 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.546 -5.147 -1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.976 -2.446 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.478 -3.451 -0.498 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.766 -4.811 -5.031 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.550 -4.550 -6.427 1.00 0.00 C ATOM 1142 C ASN A 72 -13.452 -5.863 -7.171 1.00 0.00 C ATOM 1143 O ASN A 72 -13.602 -6.930 -6.570 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.275 -3.739 -6.616 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.297 -2.954 -7.886 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.772 -3.380 -8.919 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.983 -1.864 -7.839 1.00 0.00 N ATOM 0 H ASN A 72 -13.397 -5.702 -4.700 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.387 -3.974 -6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.148 -3.061 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.415 -4.409 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.114 -1.307 -8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.395 -1.558 -6.957 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.207 -5.797 -8.452 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.069 -6.971 -9.267 1.00 0.00 C ATOM 1156 C LYS A 73 -11.611 -7.330 -9.449 1.00 0.00 C ATOM 1157 O LYS A 73 -11.293 -8.403 -9.953 1.00 0.00 O ATOM 1158 CB LYS A 73 -13.745 -6.774 -10.617 1.00 0.00 C ATOM 1159 CG LYS A 73 -15.270 -6.627 -10.551 1.00 0.00 C ATOM 1160 CD LYS A 73 -15.943 -7.824 -9.857 1.00 0.00 C ATOM 1161 CE LYS A 73 -15.643 -9.148 -10.559 1.00 0.00 C ATOM 1162 NZ LYS A 73 -16.272 -10.299 -9.854 1.00 0.00 N ATOM 0 H LYS A 73 -13.097 -4.920 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.563 -7.797 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.328 -5.886 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.502 -7.622 -11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.522 -5.711 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.667 -6.525 -11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.603 -7.879 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.021 -7.666 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.007 -9.107 -11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.564 -9.297 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.047 -11.180 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.905 -10.353 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.303 -10.169 -9.828 1.00 0.00 H new ATOM 1176 N ARG A 74 -10.732 -6.428 -9.042 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.309 -6.683 -9.115 1.00 0.00 C ATOM 1178 C ARG A 74 -8.940 -7.796 -8.140 1.00 0.00 C ATOM 1179 O ARG A 74 -9.266 -7.724 -6.947 1.00 0.00 O ATOM 1180 CB ARG A 74 -8.505 -5.413 -8.779 1.00 0.00 C ATOM 1181 CG ARG A 74 -8.516 -4.304 -9.834 1.00 0.00 C ATOM 1182 CD ARG A 74 -7.759 -4.718 -11.099 1.00 0.00 C ATOM 1183 NE ARG A 74 -7.573 -3.587 -12.042 1.00 0.00 N ATOM 1184 CZ ARG A 74 -6.633 -3.537 -13.021 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -5.866 -4.609 -13.273 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -6.468 -2.422 -13.743 1.00 0.00 N ATOM 0 H ARG A 74 -10.982 -5.516 -8.659 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.063 -6.987 -10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.890 -5.001 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.470 -5.702 -8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.546 -4.056 -10.091 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.065 -3.402 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.785 -5.120 -10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.303 -5.519 -11.599 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.198 -2.787 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.989 -5.463 -12.729 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.161 -4.570 -14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.050 -1.605 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.761 -2.390 -14.477 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.317 -8.839 -8.635 1.00 0.00 N ATOM 1201 CA LYS A 75 -7.872 -9.884 -7.763 1.00 0.00 C ATOM 1202 C LYS A 75 -6.636 -9.368 -7.049 1.00 0.00 C ATOM 1203 O LYS A 75 -5.805 -8.694 -7.655 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.552 -11.169 -8.527 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.552 -12.426 -7.644 1.00 0.00 C ATOM 1206 CD LYS A 75 -8.918 -13.160 -7.645 1.00 0.00 C ATOM 1207 CE LYS A 75 -10.118 -12.309 -7.187 1.00 0.00 C ATOM 1208 NZ LYS A 75 -10.047 -11.886 -5.773 1.00 0.00 N ATOM 0 H LYS A 75 -8.112 -8.980 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.662 -10.138 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.281 -11.297 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.575 -11.067 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.777 -13.109 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.295 -12.147 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.115 -13.526 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.844 -14.034 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.184 -11.423 -7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.035 -12.879 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.851 -11.263 -5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.082 -12.724 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.157 -11.373 -5.608 1.00 0.00 H new ATOM 1222 N GLY A 76 -6.559 -9.624 -5.782 1.00 0.00 N ATOM 1223 CA GLY A 76 -5.512 -9.102 -4.967 1.00 0.00 C ATOM 1224 C GLY A 76 -6.036 -7.920 -4.197 1.00 0.00 C ATOM 1225 O GLY A 76 -5.573 -7.611 -3.127 1.00 0.00 O ATOM 0 H GLY A 76 -7.229 -10.207 -5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.151 -9.868 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.666 -8.803 -5.586 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.046 -7.280 -4.754 1.00 0.00 N ATOM 1230 CA PHE A 77 -7.679 -6.149 -4.126 1.00 0.00 C ATOM 1231 C PHE A 77 -8.585 -6.665 -3.026 1.00 0.00 C ATOM 1232 O PHE A 77 -8.572 -6.171 -1.912 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.475 -5.356 -5.171 1.00 0.00 C ATOM 1234 CG PHE A 77 -8.988 -4.025 -4.719 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.076 -3.928 -3.880 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.379 -2.869 -5.149 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.541 -2.704 -3.475 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -8.841 -1.638 -4.747 1.00 0.00 C ATOM 1239 CZ PHE A 77 -9.926 -1.557 -3.906 1.00 0.00 C ATOM 0 H PHE A 77 -7.447 -7.534 -5.657 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.934 -5.479 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.842 -5.204 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.322 -5.962 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.568 -4.826 -3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.527 -2.929 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.394 -2.643 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.353 -0.738 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.293 -0.593 -3.586 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.364 -7.690 -3.368 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.277 -8.351 -2.419 1.00 0.00 C ATOM 1251 C ASN A 78 -9.463 -8.916 -1.283 1.00 0.00 C ATOM 1252 O ASN A 78 -9.731 -8.669 -0.110 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.018 -9.521 -3.097 1.00 0.00 C ATOM 1254 CG ASN A 78 -11.827 -9.141 -4.323 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -11.936 -9.928 -5.267 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.413 -7.975 -4.322 1.00 0.00 N ATOM 0 H ASN A 78 -9.385 -8.089 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.003 -7.619 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.287 -10.278 -3.382 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.685 -9.981 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.983 -7.690 -5.119 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.301 -7.349 -3.525 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.445 -9.640 -1.672 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.521 -10.284 -0.783 1.00 0.00 C ATOM 1265 C GLU A 79 -6.800 -9.250 0.081 1.00 0.00 C ATOM 1266 O GLU A 79 -6.649 -9.427 1.281 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.501 -11.091 -1.602 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.062 -12.314 -2.366 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.154 -12.009 -3.399 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.090 -10.955 -4.116 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -9.083 -12.807 -3.549 1.00 0.00 O ATOM 0 H GLU A 79 -8.231 -9.801 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.072 -10.957 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.032 -10.421 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.716 -11.436 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.236 -12.812 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.462 -13.021 -1.639 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.414 -8.151 -0.538 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.695 -7.107 0.145 1.00 0.00 C ATOM 1280 C GLY A 80 -6.538 -6.342 1.116 1.00 0.00 C ATOM 1281 O GLY A 80 -6.047 -5.919 2.156 1.00 0.00 O ATOM 0 H GLY A 80 -6.592 -7.962 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.850 -7.545 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.285 -6.416 -0.592 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.805 -6.162 0.784 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.744 -5.505 1.645 1.00 0.00 C ATOM 1287 C LEU A 81 -8.905 -6.338 2.919 1.00 0.00 C ATOM 1288 O LEU A 81 -9.128 -5.823 3.984 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.058 -5.383 0.889 1.00 0.00 C ATOM 1290 CG LEU A 81 -11.153 -4.537 1.501 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.701 -3.086 1.633 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -12.384 -4.634 0.632 1.00 0.00 C ATOM 0 H LEU A 81 -8.204 -6.475 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.405 -4.509 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.838 -4.981 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.454 -6.388 0.743 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.382 -4.904 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.502 -2.494 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.819 -3.036 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.458 -2.689 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.182 -4.028 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.152 -4.271 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.708 -5.673 0.575 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.747 -7.637 2.774 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.769 -8.533 3.897 1.00 0.00 C ATOM 1306 C TRP A 82 -7.436 -8.458 4.656 1.00 0.00 C ATOM 1307 O TRP A 82 -7.417 -8.344 5.888 1.00 0.00 O ATOM 1308 CB TRP A 82 -9.049 -9.966 3.416 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.961 -10.993 4.496 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.915 -11.298 5.405 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.850 -11.850 4.773 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.463 -12.284 6.251 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -8.197 -12.643 5.877 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.593 -12.015 4.192 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.332 -13.590 6.415 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.733 -12.955 4.722 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -6.106 -13.732 5.824 1.00 0.00 C ATOM 0 H TRP A 82 -8.600 -8.095 1.874 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.566 -8.238 4.579 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.044 -10.003 2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.340 -10.220 2.628 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.889 -10.835 5.459 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.987 -12.683 7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.298 -11.418 3.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.617 -14.190 7.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.757 -13.093 4.280 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.411 -14.460 6.217 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.329 -8.514 3.918 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.999 -8.480 4.525 1.00 0.00 C ATOM 1330 C GLU A 83 -4.750 -7.238 5.339 1.00 0.00 C ATOM 1331 O GLU A 83 -4.236 -7.336 6.415 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.847 -8.668 3.531 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.710 -10.058 2.951 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.361 -10.261 2.278 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.010 -9.492 1.364 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.605 -11.176 2.678 1.00 0.00 O ATOM 0 H GLU A 83 -6.326 -8.583 2.900 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.008 -9.344 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.978 -7.962 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.913 -8.407 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.835 -10.796 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.506 -10.229 2.227 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.156 -6.087 4.851 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.859 -4.837 5.549 1.00 0.00 C ATOM 1345 C ILE A 84 -5.523 -4.770 6.942 1.00 0.00 C ATOM 1346 O ILE A 84 -4.943 -4.243 7.895 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.195 -3.586 4.677 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.704 -2.311 5.365 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.691 -3.498 4.368 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.748 -1.083 4.493 1.00 0.00 C ATOM 0 H ILE A 84 -5.686 -5.981 3.986 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.782 -4.824 5.719 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.674 -3.692 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.310 -2.134 6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.680 -2.466 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.886 -2.615 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.003 -4.389 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.252 -3.427 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.384 -0.224 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.118 -1.236 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.774 -0.899 4.175 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.684 -5.370 7.049 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.451 -5.403 8.290 1.00 0.00 C ATOM 1364 C ASP A 85 -6.961 -6.488 9.238 1.00 0.00 C ATOM 1365 O ASP A 85 -6.953 -6.317 10.453 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.937 -5.636 7.974 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.691 -4.371 7.612 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.377 -3.744 6.569 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.617 -4.012 8.351 1.00 0.00 O ATOM 0 H ASP A 85 -7.135 -5.857 6.274 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.315 -4.441 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.017 -6.344 7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.415 -6.098 8.838 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.518 -7.590 8.678 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.163 -8.769 9.479 1.00 0.00 C ATOM 1376 C ASN A 86 -4.676 -8.906 9.697 1.00 0.00 C ATOM 1377 O ASN A 86 -4.214 -9.142 10.812 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.722 -10.036 8.827 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.230 -10.093 8.880 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.817 -10.677 9.783 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.867 -9.469 7.932 1.00 0.00 N ATOM 0 H ASN A 86 -6.390 -7.708 7.673 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.613 -8.631 10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.396 -10.081 7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.310 -10.912 9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.887 -9.456 7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.346 -8.993 7.195 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.918 -8.753 8.652 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.468 -8.904 8.743 1.00 0.00 C ATOM 1390 C ASN A 87 -1.753 -7.743 8.022 1.00 0.00 C ATOM 1391 O ASN A 87 -1.216 -7.910 6.930 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.020 -10.258 8.158 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.557 -10.581 8.432 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.003 -10.187 9.452 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.064 -11.307 7.536 1.00 0.00 N ATOM 0 H ASN A 87 -4.265 -8.524 7.720 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.192 -8.878 9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.643 -11.049 8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.188 -10.253 7.081 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.042 -11.561 7.674 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.430 -11.618 6.700 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.759 -6.534 8.622 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.169 -5.329 8.007 1.00 0.00 C ATOM 1404 C PRO A 88 0.366 -5.343 8.025 1.00 0.00 C ATOM 1405 O PRO A 88 1.015 -4.449 7.496 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.700 -4.189 8.878 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.961 -4.807 10.206 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.376 -6.225 9.938 1.00 0.00 C ATOM 0 HA PRO A 88 -1.436 -5.244 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.973 -3.380 8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.610 -3.761 8.456 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.069 -4.775 10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.744 -4.267 10.739 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.018 -6.900 10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.461 -6.324 9.904 1.00 0.00 H new ATOM 1416 N LYS A 89 0.922 -6.337 8.669 1.00 0.00 N ATOM 1417 CA LYS A 89 2.361 -6.471 8.815 1.00 0.00 C ATOM 1418 C LYS A 89 2.921 -7.484 7.807 1.00 0.00 C ATOM 1419 O LYS A 89 4.068 -7.917 7.928 1.00 0.00 O ATOM 1420 CB LYS A 89 2.693 -6.915 10.249 1.00 0.00 C ATOM 1421 CG LYS A 89 2.045 -8.234 10.627 1.00 0.00 C ATOM 1422 CD LYS A 89 2.379 -8.675 12.036 1.00 0.00 C ATOM 1423 CE LYS A 89 1.696 -9.999 12.348 1.00 0.00 C ATOM 1424 NZ LYS A 89 1.994 -10.474 13.719 1.00 0.00 N ATOM 0 H LYS A 89 0.390 -7.086 9.113 1.00 0.00 H new ATOM 0 HA LYS A 89 2.824 -5.504 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.774 -7.004 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.367 -6.144 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.963 -8.143 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.366 -9.004 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.458 -8.779 12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.058 -7.915 12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.618 -9.886 12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.018 -10.751 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.508 -11.378 13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.020 -10.608 13.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.664 -9.770 14.410 1.00 0.00 H new