USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 767 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 26 MET CE :methyl 168:sc= -2.05 (180deg=-2.58) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.01) USER MOD Set 1.3: A 40 HIS : no HD1:sc= -0.326 X(o=-1.1,f=-1.6) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.272 K(o=-1.8,f=-2.6) USER MOD Set 2.2: A 45 MET CE :methyl -137:sc= -1.52 (180deg=-1.96) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.257 (180deg=-0.768) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.23 K(o=-0.23,f=-0.86) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc=-0.00747 (180deg=-0.0949) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 170:sc= 0.0289 USER MOD Single : A 47 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.15) USER MOD Single : A 48 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.3!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 108:sc= 0.336 USER MOD Single : A 70 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -149:sc= 0.126 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.602 9.350 5.047 1.00 0.00 N ATOM 2 CA MET A 1 -11.969 9.795 6.318 1.00 0.00 C ATOM 3 C MET A 1 -10.512 10.202 6.105 1.00 0.00 C ATOM 4 O MET A 1 -10.120 11.320 6.439 1.00 0.00 O ATOM 5 CB MET A 1 -12.065 8.661 7.343 1.00 0.00 C ATOM 6 CG MET A 1 -12.327 9.145 8.763 1.00 0.00 C ATOM 7 SD MET A 1 -13.079 7.881 9.805 1.00 0.00 S ATOM 8 CE MET A 1 -13.289 8.788 11.337 1.00 0.00 C ATOM 0 H1 MET A 1 -13.590 9.081 5.227 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.575 10.126 4.355 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.084 8.531 4.669 1.00 0.00 H new ATOM 0 HA MET A 1 -12.498 10.674 6.687 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.863 7.981 7.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.137 8.089 7.328 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.387 9.467 9.211 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.980 10.017 8.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.064 8.313 11.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.350 8.789 11.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.580 9.815 11.115 1.00 0.00 H new ATOM 20 N VAL A 2 -9.719 9.288 5.548 1.00 0.00 N ATOM 21 CA VAL A 2 -8.304 9.552 5.287 1.00 0.00 C ATOM 22 C VAL A 2 -7.948 9.270 3.825 1.00 0.00 C ATOM 23 O VAL A 2 -7.906 8.115 3.392 1.00 0.00 O ATOM 24 CB VAL A 2 -7.391 8.719 6.218 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.641 7.227 6.035 1.00 0.00 C ATOM 26 CG2 VAL A 2 -5.924 9.061 5.980 1.00 0.00 C ATOM 0 H VAL A 2 -10.032 8.358 5.269 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.135 10.609 5.492 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.635 8.973 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.987 6.664 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.681 7.001 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.435 6.948 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.299 8.464 6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.663 8.844 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.760 10.120 6.181 1.00 0.00 H new ATOM 36 N ASN A 3 -7.693 10.338 3.070 1.00 0.00 N ATOM 37 CA ASN A 3 -7.339 10.220 1.657 1.00 0.00 C ATOM 38 C ASN A 3 -5.833 10.037 1.487 1.00 0.00 C ATOM 39 O ASN A 3 -5.046 10.916 1.847 1.00 0.00 O ATOM 40 CB ASN A 3 -7.801 11.459 0.885 1.00 0.00 C ATOM 41 CG ASN A 3 -9.174 11.281 0.265 1.00 0.00 C ATOM 42 OD1 ASN A 3 -9.360 10.470 -0.642 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.148 12.043 0.753 1.00 0.00 N ATOM 0 H ASN A 3 -7.725 11.297 3.415 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.844 9.341 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.819 12.316 1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.078 11.684 0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.092 11.968 0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.951 12.703 1.505 1.00 0.00 H new ATOM 50 N VAL A 4 -5.442 8.889 0.937 1.00 0.00 N ATOM 51 CA VAL A 4 -4.032 8.580 0.716 1.00 0.00 C ATOM 52 C VAL A 4 -3.716 8.470 -0.776 1.00 0.00 C ATOM 53 O VAL A 4 -4.498 7.908 -1.546 1.00 0.00 O ATOM 54 CB VAL A 4 -3.624 7.266 1.416 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.657 7.431 2.930 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.523 6.118 0.976 1.00 0.00 C ATOM 0 H VAL A 4 -6.084 8.156 0.636 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.460 9.403 1.145 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.602 7.026 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.366 6.494 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.963 8.218 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.665 7.700 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.217 5.202 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.557 6.347 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.439 5.983 -0.102 1.00 0.00 H new ATOM 66 N LYS A 5 -2.562 9.006 -1.174 1.00 0.00 N ATOM 67 CA LYS A 5 -2.133 8.967 -2.570 1.00 0.00 C ATOM 68 C LYS A 5 -0.995 7.966 -2.756 1.00 0.00 C ATOM 69 O LYS A 5 0.144 8.223 -2.359 1.00 0.00 O ATOM 70 CB LYS A 5 -1.692 10.358 -3.033 1.00 0.00 C ATOM 71 CG LYS A 5 -1.537 10.481 -4.542 1.00 0.00 C ATOM 72 CD LYS A 5 -0.070 10.535 -4.949 1.00 0.00 C ATOM 73 CE LYS A 5 0.403 11.967 -5.156 1.00 0.00 C ATOM 74 NZ LYS A 5 -0.160 12.570 -6.399 1.00 0.00 N ATOM 0 H LYS A 5 -1.907 9.473 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.979 8.647 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.421 11.093 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.743 10.605 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.020 9.634 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.046 11.380 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.539 10.058 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.074 9.967 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.113 12.572 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.492 11.985 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.382 13.422 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.100 11.882 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.155 12.827 -6.240 1.00 0.00 H new ATOM 88 N VAL A 6 -1.315 6.822 -3.359 1.00 0.00 N ATOM 89 CA VAL A 6 -0.323 5.776 -3.599 1.00 0.00 C ATOM 90 C VAL A 6 0.206 5.830 -5.031 1.00 0.00 C ATOM 91 O VAL A 6 -0.527 6.169 -5.960 1.00 0.00 O ATOM 92 CB VAL A 6 -0.899 4.368 -3.331 1.00 0.00 C ATOM 93 CG1 VAL A 6 -1.062 4.129 -1.838 1.00 0.00 C ATOM 94 CG2 VAL A 6 -2.223 4.177 -4.059 1.00 0.00 C ATOM 0 H VAL A 6 -2.253 6.596 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 6 0.495 5.962 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.193 3.633 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.469 3.132 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.092 4.211 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.742 4.872 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.609 3.178 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.940 4.921 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.069 4.295 -5.132 1.00 0.00 H new ATOM 104 N GLU A 7 1.483 5.489 -5.201 1.00 0.00 N ATOM 105 CA GLU A 7 2.111 5.494 -6.521 1.00 0.00 C ATOM 106 C GLU A 7 2.751 4.139 -6.818 1.00 0.00 C ATOM 107 O GLU A 7 3.864 3.857 -6.370 1.00 0.00 O ATOM 108 CB GLU A 7 3.162 6.605 -6.605 1.00 0.00 C ATOM 109 CG GLU A 7 3.008 7.501 -7.825 1.00 0.00 C ATOM 110 CD GLU A 7 3.748 8.817 -7.678 1.00 0.00 C ATOM 111 OE1 GLU A 7 3.341 9.636 -6.826 1.00 0.00 O ATOM 112 OE2 GLU A 7 4.733 9.029 -8.416 1.00 0.00 O ATOM 0 H GLU A 7 2.102 5.206 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 7 1.340 5.682 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.103 7.218 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.154 6.154 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.378 6.976 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.950 7.700 -7.994 1.00 0.00 H new ATOM 119 N PHE A 8 2.038 3.303 -7.572 1.00 0.00 N ATOM 120 CA PHE A 8 2.531 1.973 -7.931 1.00 0.00 C ATOM 121 C PHE A 8 3.464 2.039 -9.139 1.00 0.00 C ATOM 122 O PHE A 8 3.242 2.819 -10.067 1.00 0.00 O ATOM 123 CB PHE A 8 1.364 1.030 -8.234 1.00 0.00 C ATOM 124 CG PHE A 8 0.444 0.807 -7.065 1.00 0.00 C ATOM 125 CD1 PHE A 8 0.768 -0.109 -6.077 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.745 1.510 -6.958 1.00 0.00 C ATOM 127 CE1 PHE A 8 -0.077 -0.320 -5.004 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.594 1.304 -5.888 1.00 0.00 C ATOM 129 CZ PHE A 8 -1.260 0.388 -4.910 1.00 0.00 C ATOM 0 H PHE A 8 1.115 3.523 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 8 3.091 1.588 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.788 1.436 -9.066 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.761 0.069 -8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.692 -0.664 -6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.011 2.227 -7.720 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.187 -1.037 -4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.518 1.859 -5.816 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.923 0.225 -4.073 1.00 0.00 H new ATOM 139 N LEU A 9 4.511 1.213 -9.115 1.00 0.00 N ATOM 140 CA LEU A 9 5.489 1.169 -10.199 1.00 0.00 C ATOM 141 C LEU A 9 6.026 -0.247 -10.402 1.00 0.00 C ATOM 142 O LEU A 9 5.740 -1.153 -9.612 1.00 0.00 O ATOM 143 CB LEU A 9 6.649 2.128 -9.908 1.00 0.00 C ATOM 144 CG LEU A 9 6.288 3.615 -9.944 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.861 4.093 -8.566 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.461 4.438 -10.454 1.00 0.00 C ATOM 0 H LEU A 9 4.702 0.563 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 9 4.986 1.480 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.056 1.893 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.442 1.945 -10.633 1.00 0.00 H new ATOM 0 HG LEU A 9 5.451 3.749 -10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.608 5.152 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.990 3.526 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.678 3.944 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.185 5.492 -10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.317 4.299 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.722 4.114 -11.461 1.00 0.00 H new ATOM 158 N GLY A 10 6.807 -0.429 -11.467 1.00 0.00 N ATOM 159 CA GLY A 10 7.377 -1.731 -11.764 1.00 0.00 C ATOM 160 C GLY A 10 6.373 -2.661 -12.418 1.00 0.00 C ATOM 161 O GLY A 10 6.019 -2.477 -13.585 1.00 0.00 O ATOM 0 H GLY A 10 7.054 0.306 -12.130 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.237 -1.607 -12.422 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.743 -2.184 -10.843 1.00 0.00 H new ATOM 165 N GLY A 11 5.919 -3.661 -11.662 1.00 0.00 N ATOM 166 CA GLY A 11 4.953 -4.620 -12.179 1.00 0.00 C ATOM 167 C GLY A 11 3.621 -4.610 -11.434 1.00 0.00 C ATOM 168 O GLY A 11 2.679 -5.293 -11.844 1.00 0.00 O ATOM 0 H GLY A 11 6.205 -3.824 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.772 -4.408 -13.233 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.382 -5.620 -12.125 1.00 0.00 H new ATOM 172 N LEU A 12 3.531 -3.839 -10.343 1.00 0.00 N ATOM 173 CA LEU A 12 2.298 -3.757 -9.556 1.00 0.00 C ATOM 174 C LEU A 12 1.169 -3.110 -10.359 1.00 0.00 C ATOM 175 O LEU A 12 0.042 -3.605 -10.364 1.00 0.00 O ATOM 176 CB LEU A 12 2.538 -2.970 -8.267 1.00 0.00 C ATOM 177 CG LEU A 12 2.392 -3.786 -6.981 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.052 -3.068 -5.812 1.00 0.00 C ATOM 179 CD2 LEU A 12 0.923 -4.064 -6.686 1.00 0.00 C ATOM 0 H LEU A 12 4.296 -3.265 -9.987 1.00 0.00 H new ATOM 0 HA LEU A 12 1.998 -4.774 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.541 -2.545 -8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.839 -2.135 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 12 2.897 -4.742 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.937 -3.664 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.112 -2.928 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.580 -2.096 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.840 -4.645 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.391 -3.120 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.486 -4.626 -7.512 1.00 0.00 H new ATOM 191 N ASP A 13 1.486 -2.007 -11.043 1.00 0.00 N ATOM 192 CA ASP A 13 0.504 -1.293 -11.864 1.00 0.00 C ATOM 193 C ASP A 13 -0.046 -2.190 -12.978 1.00 0.00 C ATOM 194 O ASP A 13 -1.195 -2.032 -13.397 1.00 0.00 O ATOM 195 CB ASP A 13 1.119 -0.017 -12.472 1.00 0.00 C ATOM 196 CG ASP A 13 2.551 -0.198 -12.963 1.00 0.00 C ATOM 197 OD1 ASP A 13 2.867 -1.269 -13.523 1.00 0.00 O ATOM 198 OD2 ASP A 13 3.356 0.737 -12.787 1.00 0.00 O ATOM 0 H ASP A 13 2.416 -1.589 -11.044 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.321 -1.008 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.498 0.313 -13.305 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.098 0.777 -11.725 1.00 0.00 H new ATOM 203 N ALA A 14 0.773 -3.132 -13.454 1.00 0.00 N ATOM 204 CA ALA A 14 0.354 -4.049 -14.513 1.00 0.00 C ATOM 205 C ALA A 14 -0.756 -4.978 -14.030 1.00 0.00 C ATOM 206 O ALA A 14 -1.689 -5.280 -14.773 1.00 0.00 O ATOM 207 CB ALA A 14 1.538 -4.860 -15.021 1.00 0.00 C ATOM 0 H ALA A 14 1.727 -3.278 -13.123 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.038 -3.451 -15.336 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.205 -5.536 -15.808 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.297 -4.186 -15.418 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.961 -5.439 -14.200 1.00 0.00 H new ATOM 213 N ILE A 15 -0.651 -5.425 -12.779 1.00 0.00 N ATOM 214 CA ILE A 15 -1.648 -6.318 -12.194 1.00 0.00 C ATOM 215 C ILE A 15 -2.966 -5.585 -11.944 1.00 0.00 C ATOM 216 O ILE A 15 -4.044 -6.137 -12.167 1.00 0.00 O ATOM 217 CB ILE A 15 -1.154 -6.925 -10.864 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.235 -7.550 -11.034 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.145 -7.960 -10.355 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.068 -7.533 -9.769 1.00 0.00 C ATOM 0 H ILE A 15 0.116 -5.182 -12.151 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.810 -7.121 -12.913 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.079 -6.124 -10.129 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.122 -8.581 -11.370 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.771 -7.016 -11.819 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.783 -8.379 -9.416 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.113 -7.487 -10.192 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.250 -8.756 -11.092 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.037 -7.991 -9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.213 -6.503 -9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.554 -8.092 -8.987 1.00 0.00 H new ATOM 232 N PHE A 16 -2.869 -4.340 -11.476 1.00 0.00 N ATOM 233 CA PHE A 16 -4.051 -3.531 -11.191 1.00 0.00 C ATOM 234 C PHE A 16 -4.815 -3.196 -12.472 1.00 0.00 C ATOM 235 O PHE A 16 -5.917 -3.700 -12.697 1.00 0.00 O ATOM 236 CB PHE A 16 -3.652 -2.240 -10.473 1.00 0.00 C ATOM 237 CG PHE A 16 -3.534 -2.385 -8.981 1.00 0.00 C ATOM 238 CD1 PHE A 16 -4.662 -2.562 -8.196 1.00 0.00 C ATOM 239 CD2 PHE A 16 -2.294 -2.338 -8.365 1.00 0.00 C ATOM 240 CE1 PHE A 16 -4.554 -2.690 -6.824 1.00 0.00 C ATOM 241 CE2 PHE A 16 -2.180 -2.467 -6.995 1.00 0.00 C ATOM 242 CZ PHE A 16 -3.312 -2.643 -6.223 1.00 0.00 C ATOM 0 H PHE A 16 -1.983 -3.871 -11.287 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.705 -4.115 -10.544 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.698 -1.894 -10.871 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.389 -1.469 -10.696 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.636 -2.600 -8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.406 -2.199 -8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.441 -2.827 -6.223 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.207 -2.430 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.226 -2.744 -5.151 1.00 0.00 H new ATOM 252 N GLY A 17 -4.222 -2.338 -13.300 1.00 0.00 N ATOM 253 CA GLY A 17 -4.853 -1.936 -14.548 1.00 0.00 C ATOM 254 C GLY A 17 -4.109 -0.804 -15.233 1.00 0.00 C ATOM 255 O GLY A 17 -4.717 0.186 -15.645 1.00 0.00 O ATOM 0 H GLY A 17 -3.311 -1.912 -13.128 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.903 -2.793 -15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.879 -1.626 -14.350 1.00 0.00 H new ATOM 259 N LYS A 18 -2.787 -0.955 -15.345 1.00 0.00 N ATOM 260 CA LYS A 18 -1.933 0.054 -15.975 1.00 0.00 C ATOM 261 C LYS A 18 -2.085 1.418 -15.293 1.00 0.00 C ATOM 262 O LYS A 18 -1.994 2.462 -15.946 1.00 0.00 O ATOM 263 CB LYS A 18 -2.258 0.169 -17.471 1.00 0.00 C ATOM 264 CG LYS A 18 -1.647 -0.940 -18.315 1.00 0.00 C ATOM 265 CD LYS A 18 -1.310 -0.459 -19.719 1.00 0.00 C ATOM 266 CE LYS A 18 -0.084 0.443 -19.727 1.00 0.00 C ATOM 267 NZ LYS A 18 -0.037 1.307 -20.941 1.00 0.00 N ATOM 0 H LYS A 18 -2.282 -1.773 -15.005 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.897 -0.266 -15.860 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.340 0.158 -17.601 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.902 1.132 -17.838 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.743 -1.310 -17.831 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.342 -1.777 -18.374 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.133 -1.319 -20.365 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.162 0.081 -20.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.089 1.070 -18.835 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.817 -0.169 -19.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.813 1.906 -20.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.007 0.709 -21.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.884 1.909 -20.971 1.00 0.00 H new ATOM 281 N GLN A 19 -2.312 1.406 -13.977 1.00 0.00 N ATOM 282 CA GLN A 19 -2.471 2.641 -13.214 1.00 0.00 C ATOM 283 C GLN A 19 -1.214 2.942 -12.405 1.00 0.00 C ATOM 284 O GLN A 19 -0.902 2.236 -11.443 1.00 0.00 O ATOM 285 CB GLN A 19 -3.684 2.544 -12.284 1.00 0.00 C ATOM 286 CG GLN A 19 -5.014 2.767 -12.989 1.00 0.00 C ATOM 287 CD GLN A 19 -6.103 1.820 -12.510 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.835 0.665 -12.178 1.00 0.00 O ATOM 289 NE2 GLN A 19 -7.341 2.304 -12.475 1.00 0.00 N ATOM 0 H GLN A 19 -2.389 0.555 -13.421 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.633 3.456 -13.919 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.692 1.561 -11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.578 3.278 -11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.337 3.795 -12.828 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.876 2.641 -14.063 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.520 3.267 -12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.111 1.712 -12.164 1.00 0.00 H new ATOM 298 N ARG A 20 -0.497 3.993 -12.803 1.00 0.00 N ATOM 299 CA ARG A 20 0.729 4.395 -12.119 1.00 0.00 C ATOM 300 C ARG A 20 0.426 4.888 -10.704 1.00 0.00 C ATOM 301 O ARG A 20 0.881 4.298 -9.726 1.00 0.00 O ATOM 302 CB ARG A 20 1.450 5.488 -12.918 1.00 0.00 C ATOM 303 CG ARG A 20 2.942 5.572 -12.634 1.00 0.00 C ATOM 304 CD ARG A 20 3.497 6.947 -12.981 1.00 0.00 C ATOM 305 NE ARG A 20 4.883 6.886 -13.452 1.00 0.00 N ATOM 306 CZ ARG A 20 5.567 7.945 -13.903 1.00 0.00 C ATOM 307 NH1 ARG A 20 5.000 9.149 -13.942 1.00 0.00 N ATOM 308 NH2 ARG A 20 6.822 7.801 -14.315 1.00 0.00 N ATOM 0 H ARG A 20 -0.746 4.582 -13.598 1.00 0.00 H new ATOM 0 HA ARG A 20 1.380 3.524 -12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.302 5.305 -13.982 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.992 6.451 -12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.126 5.359 -11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.467 4.810 -13.210 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.874 7.404 -13.750 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.442 7.590 -12.103 1.00 0.00 H new ATOM 0 HE ARG A 20 5.355 5.982 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.037 9.270 -13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.528 9.951 -14.287 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.265 6.883 -14.288 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.342 8.609 -14.658 1.00 0.00 H new ATOM 322 N VAL A 21 -0.347 5.968 -10.601 1.00 0.00 N ATOM 323 CA VAL A 21 -0.709 6.535 -9.304 1.00 0.00 C ATOM 324 C VAL A 21 -2.203 6.370 -9.024 1.00 0.00 C ATOM 325 O VAL A 21 -3.030 6.458 -9.935 1.00 0.00 O ATOM 326 CB VAL A 21 -0.328 8.031 -9.221 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.117 8.851 -10.232 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.535 8.569 -7.810 1.00 0.00 C ATOM 0 H VAL A 21 -0.735 6.468 -11.401 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.148 5.987 -8.547 1.00 0.00 H new ATOM 0 HB VAL A 21 0.731 8.120 -9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.830 9.900 -10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.903 8.491 -11.238 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.183 8.750 -10.029 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.260 9.623 -7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.582 8.459 -7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.089 8.010 -7.112 1.00 0.00 H new ATOM 338 N HIS A 22 -2.540 6.133 -7.757 1.00 0.00 N ATOM 339 CA HIS A 22 -3.932 5.957 -7.349 1.00 0.00 C ATOM 340 C HIS A 22 -4.202 6.635 -6.003 1.00 0.00 C ATOM 341 O HIS A 22 -3.302 7.233 -5.406 1.00 0.00 O ATOM 342 CB HIS A 22 -4.271 4.465 -7.264 1.00 0.00 C ATOM 343 CG HIS A 22 -5.580 4.098 -7.904 1.00 0.00 C ATOM 344 ND1 HIS A 22 -6.548 5.023 -8.246 1.00 0.00 N ATOM 345 CD2 HIS A 22 -6.077 2.890 -8.259 1.00 0.00 C ATOM 346 CE1 HIS A 22 -7.581 4.397 -8.781 1.00 0.00 C ATOM 347 NE2 HIS A 22 -7.320 3.103 -8.801 1.00 0.00 N ATOM 0 H HIS A 22 -1.866 6.058 -6.995 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.568 6.427 -8.099 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.473 3.894 -7.739 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.295 4.168 -6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.586 1.935 -8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.486 4.864 -9.141 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.941 2.379 -9.161 1.00 0.00 H new ATOM 356 N LYS A 23 -5.446 6.538 -5.531 1.00 0.00 N ATOM 357 CA LYS A 23 -5.836 7.141 -4.260 1.00 0.00 C ATOM 358 C LYS A 23 -6.921 6.318 -3.568 1.00 0.00 C ATOM 359 O LYS A 23 -7.819 5.787 -4.225 1.00 0.00 O ATOM 360 CB LYS A 23 -6.328 8.573 -4.482 1.00 0.00 C ATOM 361 CG LYS A 23 -7.524 8.677 -5.420 1.00 0.00 C ATOM 362 CD LYS A 23 -7.113 9.162 -6.802 1.00 0.00 C ATOM 363 CE LYS A 23 -7.783 10.482 -7.152 1.00 0.00 C ATOM 364 NZ LYS A 23 -9.225 10.306 -7.490 1.00 0.00 N ATOM 0 H LYS A 23 -6.200 6.047 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.958 7.159 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.595 9.008 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.510 9.169 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.006 7.703 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.260 9.362 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.030 9.281 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.377 8.410 -7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.689 11.170 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.266 10.938 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.642 11.230 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.315 9.670 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.725 9.895 -6.676 1.00 0.00 H new ATOM 378 N ILE A 24 -6.830 6.218 -2.240 1.00 0.00 N ATOM 379 CA ILE A 24 -7.803 5.458 -1.455 1.00 0.00 C ATOM 380 C ILE A 24 -8.238 6.230 -0.211 1.00 0.00 C ATOM 381 O ILE A 24 -7.448 6.967 0.384 1.00 0.00 O ATOM 382 CB ILE A 24 -7.235 4.088 -1.021 1.00 0.00 C ATOM 383 CG1 ILE A 24 -6.602 3.363 -2.213 1.00 0.00 C ATOM 384 CG2 ILE A 24 -8.328 3.230 -0.397 1.00 0.00 C ATOM 385 CD1 ILE A 24 -7.601 2.950 -3.276 1.00 0.00 C ATOM 0 H ILE A 24 -6.092 6.654 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.667 5.298 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.461 4.261 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.852 4.012 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.081 2.476 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.910 2.269 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.734 3.738 0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.124 3.068 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.080 2.443 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.338 2.275 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.105 3.835 -3.665 1.00 0.00 H new ATOM 397 N LYS A 25 -9.499 6.046 0.179 1.00 0.00 N ATOM 398 CA LYS A 25 -10.049 6.713 1.356 1.00 0.00 C ATOM 399 C LYS A 25 -10.771 5.710 2.258 1.00 0.00 C ATOM 400 O LYS A 25 -11.991 5.549 2.175 1.00 0.00 O ATOM 401 CB LYS A 25 -11.003 7.840 0.938 1.00 0.00 C ATOM 402 CG LYS A 25 -11.984 7.452 -0.161 1.00 0.00 C ATOM 403 CD LYS A 25 -12.918 8.601 -0.504 1.00 0.00 C ATOM 404 CE LYS A 25 -12.863 8.944 -1.985 1.00 0.00 C ATOM 405 NZ LYS A 25 -13.790 8.098 -2.791 1.00 0.00 N ATOM 0 H LYS A 25 -10.160 5.438 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.223 7.148 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.565 8.168 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.414 8.693 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.433 7.151 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.569 6.590 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.939 8.335 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.648 9.478 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.119 9.995 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.844 8.813 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.720 8.365 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.531 7.097 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.766 8.241 -2.461 1.00 0.00 H new ATOM 419 N MET A 26 -10.006 5.030 3.114 1.00 0.00 N ATOM 420 CA MET A 26 -10.572 4.037 4.027 1.00 0.00 C ATOM 421 C MET A 26 -11.550 4.683 5.008 1.00 0.00 C ATOM 422 O MET A 26 -11.214 5.660 5.682 1.00 0.00 O ATOM 423 CB MET A 26 -9.461 3.318 4.796 1.00 0.00 C ATOM 424 CG MET A 26 -9.373 1.834 4.482 1.00 0.00 C ATOM 425 SD MET A 26 -8.438 0.916 5.717 1.00 0.00 S ATOM 426 CE MET A 26 -9.259 -0.676 5.653 1.00 0.00 C ATOM 0 H MET A 26 -8.996 5.149 3.194 1.00 0.00 H new ATOM 0 HA MET A 26 -11.117 3.308 3.427 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.505 3.788 4.564 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.628 3.446 5.865 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.379 1.421 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.907 1.700 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.668 -1.412 6.198 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.246 -0.595 6.107 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.362 -0.991 4.615 1.00 0.00 H new ATOM 436 N ASP A 27 -12.761 4.130 5.078 1.00 0.00 N ATOM 437 CA ASP A 27 -13.792 4.648 5.969 1.00 0.00 C ATOM 438 C ASP A 27 -13.994 3.722 7.169 1.00 0.00 C ATOM 439 O ASP A 27 -14.776 2.770 7.108 1.00 0.00 O ATOM 440 CB ASP A 27 -15.109 4.826 5.207 1.00 0.00 C ATOM 441 CG ASP A 27 -15.802 6.143 5.519 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.575 6.702 6.615 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.576 6.615 4.661 1.00 0.00 O ATOM 0 H ASP A 27 -13.050 3.322 4.526 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.465 5.619 6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.913 4.769 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.779 4.002 5.453 1.00 0.00 H new ATOM 448 N LYS A 28 -13.283 4.011 8.258 1.00 0.00 N ATOM 449 CA LYS A 28 -13.379 3.214 9.478 1.00 0.00 C ATOM 450 C LYS A 28 -13.252 4.099 10.714 1.00 0.00 C ATOM 451 O LYS A 28 -14.203 4.245 11.482 1.00 0.00 O ATOM 452 CB LYS A 28 -12.304 2.122 9.491 1.00 0.00 C ATOM 453 CG LYS A 28 -12.498 1.087 10.588 1.00 0.00 C ATOM 454 CD LYS A 28 -11.239 0.264 10.805 1.00 0.00 C ATOM 455 CE LYS A 28 -11.329 -1.087 10.110 1.00 0.00 C ATOM 456 NZ LYS A 28 -11.194 -0.971 8.630 1.00 0.00 N ATOM 0 H LYS A 28 -12.632 4.794 8.319 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.359 2.738 9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.299 1.618 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.326 2.588 9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.772 1.587 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.325 0.427 10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.376 0.812 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.080 0.115 11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.548 -1.743 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.284 -1.554 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.091 -1.919 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.041 -0.512 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.355 -0.401 8.402 1.00 0.00 H new ATOM 470 N GLU A 29 -12.071 4.685 10.895 1.00 0.00 N ATOM 471 CA GLU A 29 -11.809 5.562 12.036 1.00 0.00 C ATOM 472 C GLU A 29 -10.682 6.548 11.728 1.00 0.00 C ATOM 473 O GLU A 29 -10.137 6.559 10.622 1.00 0.00 O ATOM 474 CB GLU A 29 -11.444 4.729 13.267 1.00 0.00 C ATOM 475 CG GLU A 29 -12.545 4.674 14.317 1.00 0.00 C ATOM 476 CD GLU A 29 -13.144 3.287 14.471 1.00 0.00 C ATOM 477 OE1 GLU A 29 -12.373 2.317 14.632 1.00 0.00 O ATOM 478 OE2 GLU A 29 -14.387 3.171 14.432 1.00 0.00 O ATOM 0 H GLU A 29 -11.277 4.569 10.265 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.717 6.131 12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.205 3.714 12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.543 5.142 13.720 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.142 4.999 15.276 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.333 5.377 14.047 1.00 0.00 H new ATOM 485 N ASP A 30 -10.332 7.371 12.717 1.00 0.00 N ATOM 486 CA ASP A 30 -9.263 8.355 12.555 1.00 0.00 C ATOM 487 C ASP A 30 -7.892 7.722 12.806 1.00 0.00 C ATOM 488 O ASP A 30 -7.039 7.719 11.919 1.00 0.00 O ATOM 489 CB ASP A 30 -9.478 9.547 13.494 1.00 0.00 C ATOM 490 CG ASP A 30 -10.158 10.713 12.804 1.00 0.00 C ATOM 491 OD1 ASP A 30 -9.454 11.510 12.151 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.396 10.828 12.915 1.00 0.00 O ATOM 0 H ASP A 30 -10.773 7.375 13.637 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.291 8.713 11.526 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.081 9.231 14.345 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.516 9.873 13.888 1.00 0.00 H new ATOM 497 N PRO A 31 -7.656 7.172 14.019 1.00 0.00 N ATOM 498 CA PRO A 31 -6.377 6.538 14.364 1.00 0.00 C ATOM 499 C PRO A 31 -6.232 5.140 13.753 1.00 0.00 C ATOM 500 O PRO A 31 -6.055 4.150 14.468 1.00 0.00 O ATOM 501 CB PRO A 31 -6.434 6.467 15.890 1.00 0.00 C ATOM 502 CG PRO A 31 -7.885 6.336 16.201 1.00 0.00 C ATOM 503 CD PRO A 31 -8.613 7.126 15.146 1.00 0.00 C ATOM 0 HA PRO A 31 -5.521 7.093 13.980 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.868 5.616 16.270 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.009 7.361 16.346 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.193 5.291 16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.106 6.720 17.197 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.547 6.644 14.858 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.866 8.126 15.498 1.00 0.00 H new ATOM 511 N VAL A 32 -6.309 5.071 12.425 1.00 0.00 N ATOM 512 CA VAL A 32 -6.189 3.806 11.705 1.00 0.00 C ATOM 513 C VAL A 32 -4.742 3.549 11.294 1.00 0.00 C ATOM 514 O VAL A 32 -4.077 4.435 10.757 1.00 0.00 O ATOM 515 CB VAL A 32 -7.086 3.790 10.449 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.028 2.436 9.763 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.519 4.142 10.811 1.00 0.00 C ATOM 0 H VAL A 32 -6.455 5.882 11.824 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.516 3.017 12.382 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.711 4.542 9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.668 2.448 8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.002 2.223 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.373 1.664 10.451 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.136 4.125 9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.902 3.416 11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.548 5.138 11.253 1.00 0.00 H new ATOM 527 N THR A 33 -4.262 2.331 11.546 1.00 0.00 N ATOM 528 CA THR A 33 -2.891 1.962 11.193 1.00 0.00 C ATOM 529 C THR A 33 -2.761 1.728 9.691 1.00 0.00 C ATOM 530 O THR A 33 -3.732 1.370 9.023 1.00 0.00 O ATOM 531 CB THR A 33 -2.439 0.712 11.960 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.348 -0.364 11.775 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.285 0.947 13.450 1.00 0.00 C ATOM 0 H THR A 33 -4.799 1.587 11.991 1.00 0.00 H new ATOM 0 HA THR A 33 -2.244 2.793 11.475 1.00 0.00 H new ATOM 0 HB THR A 33 -1.462 0.463 11.546 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.034 -1.147 12.274 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.964 0.024 13.933 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.540 1.724 13.621 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.241 1.262 13.869 1.00 0.00 H new ATOM 541 N VAL A 34 -1.554 1.937 9.170 1.00 0.00 N ATOM 542 CA VAL A 34 -1.284 1.754 7.744 1.00 0.00 C ATOM 543 C VAL A 34 -1.654 0.345 7.274 1.00 0.00 C ATOM 544 O VAL A 34 -2.081 0.159 6.130 1.00 0.00 O ATOM 545 CB VAL A 34 0.193 2.043 7.416 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.108 1.003 8.043 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.409 2.126 5.911 1.00 0.00 C ATOM 0 H VAL A 34 -0.745 2.234 9.715 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.910 2.468 7.209 1.00 0.00 H new ATOM 0 HB VAL A 34 0.448 3.011 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.144 1.233 7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.983 1.014 9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.853 0.015 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.460 2.331 5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.127 1.179 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.204 2.927 5.499 1.00 0.00 H new ATOM 557 N GLY A 35 -1.509 -0.641 8.167 1.00 0.00 N ATOM 558 CA GLY A 35 -1.855 -2.010 7.827 1.00 0.00 C ATOM 559 C GLY A 35 -3.300 -2.138 7.370 1.00 0.00 C ATOM 560 O GLY A 35 -3.634 -3.039 6.599 1.00 0.00 O ATOM 0 H GLY A 35 -1.159 -0.511 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.193 -2.366 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.691 -2.651 8.693 1.00 0.00 H new ATOM 564 N ASP A 36 -4.153 -1.219 7.839 1.00 0.00 N ATOM 565 CA ASP A 36 -5.565 -1.219 7.468 1.00 0.00 C ATOM 566 C ASP A 36 -5.733 -0.846 5.996 1.00 0.00 C ATOM 567 O ASP A 36 -6.469 -1.507 5.262 1.00 0.00 O ATOM 568 CB ASP A 36 -6.354 -0.251 8.359 1.00 0.00 C ATOM 569 CG ASP A 36 -7.777 -0.717 8.616 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.992 -1.938 8.763 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.679 0.143 8.674 1.00 0.00 O ATOM 0 H ASP A 36 -3.886 -0.468 8.476 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.959 -2.225 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.836 -0.136 9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.377 0.732 7.889 1.00 0.00 H new ATOM 576 N LEU A 37 -5.025 0.203 5.568 1.00 0.00 N ATOM 577 CA LEU A 37 -5.072 0.656 4.177 1.00 0.00 C ATOM 578 C LEU A 37 -4.741 -0.498 3.235 1.00 0.00 C ATOM 579 O LEU A 37 -5.446 -0.729 2.251 1.00 0.00 O ATOM 580 CB LEU A 37 -4.084 1.809 3.959 1.00 0.00 C ATOM 581 CG LEU A 37 -4.427 2.781 2.821 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.560 2.045 1.493 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.701 3.554 3.139 1.00 0.00 C ATOM 0 H LEU A 37 -4.411 0.755 6.167 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.080 1.010 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.009 2.378 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.099 1.385 3.764 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.607 3.494 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.803 2.758 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.619 1.549 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.353 1.301 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.926 4.237 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.528 2.856 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.561 4.123 4.058 1.00 0.00 H new ATOM 595 N ILE A 38 -3.672 -1.231 3.557 1.00 0.00 N ATOM 596 CA ILE A 38 -3.259 -2.375 2.747 1.00 0.00 C ATOM 597 C ILE A 38 -4.392 -3.397 2.655 1.00 0.00 C ATOM 598 O ILE A 38 -4.647 -3.960 1.588 1.00 0.00 O ATOM 599 CB ILE A 38 -1.997 -3.064 3.320 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.880 -2.039 3.553 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.519 -4.167 2.382 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.391 -2.642 4.113 1.00 0.00 C ATOM 0 H ILE A 38 -3.081 -1.052 4.369 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.019 -1.995 1.754 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.257 -3.513 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.652 -1.543 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.240 -1.271 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.631 -4.641 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.306 -4.912 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.277 -3.738 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.135 -1.858 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.178 -3.114 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.776 -3.389 3.419 1.00 0.00 H new ATOM 614 N ASP A 39 -5.075 -3.618 3.782 1.00 0.00 N ATOM 615 CA ASP A 39 -6.191 -4.559 3.837 1.00 0.00 C ATOM 616 C ASP A 39 -7.298 -4.145 2.872 1.00 0.00 C ATOM 617 O ASP A 39 -7.925 -4.994 2.241 1.00 0.00 O ATOM 618 CB ASP A 39 -6.747 -4.652 5.263 1.00 0.00 C ATOM 619 CG ASP A 39 -6.895 -6.085 5.742 1.00 0.00 C ATOM 620 OD1 ASP A 39 -5.962 -6.888 5.522 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.943 -6.403 6.342 1.00 0.00 O ATOM 0 H ASP A 39 -4.872 -3.156 4.668 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.819 -5.539 3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.086 -4.113 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.718 -4.158 5.303 1.00 0.00 H new ATOM 626 N HIS A 40 -7.528 -2.836 2.756 1.00 0.00 N ATOM 627 CA HIS A 40 -8.555 -2.311 1.857 1.00 0.00 C ATOM 628 C HIS A 40 -8.237 -2.661 0.404 1.00 0.00 C ATOM 629 O HIS A 40 -9.131 -3.017 -0.366 1.00 0.00 O ATOM 630 CB HIS A 40 -8.675 -0.793 2.010 1.00 0.00 C ATOM 631 CG HIS A 40 -10.073 -0.281 1.839 1.00 0.00 C ATOM 632 ND1 HIS A 40 -10.459 0.521 0.785 1.00 0.00 N ATOM 633 CD2 HIS A 40 -11.180 -0.455 2.600 1.00 0.00 C ATOM 634 CE1 HIS A 40 -11.741 0.819 0.906 1.00 0.00 C ATOM 635 NE2 HIS A 40 -12.201 0.238 1.998 1.00 0.00 N ATOM 0 H HIS A 40 -7.017 -2.121 3.273 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.505 -2.772 2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.310 -0.506 2.996 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.028 -0.310 1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.247 -1.032 3.511 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.314 1.433 0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.160 0.295 2.340 1.00 0.00 H new ATOM 644 N ILE A 41 -6.956 -2.564 0.039 1.00 0.00 N ATOM 645 CA ILE A 41 -6.515 -2.876 -1.320 1.00 0.00 C ATOM 646 C ILE A 41 -6.709 -4.361 -1.633 1.00 0.00 C ATOM 647 O ILE A 41 -6.952 -4.735 -2.779 1.00 0.00 O ATOM 648 CB ILE A 41 -5.029 -2.509 -1.540 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.728 -1.102 -1.009 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.670 -2.609 -3.018 1.00 0.00 C ATOM 651 CD1 ILE A 41 -5.632 -0.027 -1.575 1.00 0.00 C ATOM 0 H ILE A 41 -6.207 -2.272 0.667 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.129 -2.276 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.417 -3.219 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.821 -1.106 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.693 -0.851 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.621 -2.348 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.839 -3.628 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.293 -1.923 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.357 0.939 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.522 0.007 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.668 -0.252 -1.322 1.00 0.00 H new ATOM 663 N VAL A 42 -6.595 -5.202 -0.608 1.00 0.00 N ATOM 664 CA VAL A 42 -6.754 -6.645 -0.773 1.00 0.00 C ATOM 665 C VAL A 42 -8.170 -7.114 -0.402 1.00 0.00 C ATOM 666 O VAL A 42 -8.486 -8.299 -0.525 1.00 0.00 O ATOM 667 CB VAL A 42 -5.729 -7.410 0.092 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.773 -8.902 -0.205 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.325 -6.859 -0.121 1.00 0.00 C ATOM 0 H VAL A 42 -6.393 -4.908 0.348 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.583 -6.861 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.997 -7.266 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.042 -9.419 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.770 -9.287 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.539 -9.071 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.619 -7.413 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.048 -6.964 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.302 -5.805 0.156 1.00 0.00 H new ATOM 679 N SER A 43 -9.016 -6.191 0.062 1.00 0.00 N ATOM 680 CA SER A 43 -10.381 -6.532 0.457 1.00 0.00 C ATOM 681 C SER A 43 -11.387 -6.185 -0.642 1.00 0.00 C ATOM 682 O SER A 43 -11.882 -7.073 -1.339 1.00 0.00 O ATOM 683 CB SER A 43 -10.750 -5.814 1.761 1.00 0.00 C ATOM 684 OG SER A 43 -12.130 -5.956 2.057 1.00 0.00 O ATOM 0 H SER A 43 -8.779 -5.205 0.172 1.00 0.00 H new ATOM 0 HA SER A 43 -10.423 -7.609 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.157 -6.218 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.501 -4.756 1.679 1.00 0.00 H new ATOM 0 HG SER A 43 -12.335 -5.490 2.894 1.00 0.00 H new ATOM 690 N THR A 44 -11.694 -4.896 -0.787 1.00 0.00 N ATOM 691 CA THR A 44 -12.653 -4.446 -1.796 1.00 0.00 C ATOM 692 C THR A 44 -11.971 -4.190 -3.135 1.00 0.00 C ATOM 693 O THR A 44 -12.447 -4.646 -4.176 1.00 0.00 O ATOM 694 CB THR A 44 -13.375 -3.178 -1.326 1.00 0.00 C ATOM 695 OG1 THR A 44 -12.465 -2.272 -0.725 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.478 -3.455 -0.325 1.00 0.00 C ATOM 0 H THR A 44 -11.294 -4.147 -0.221 1.00 0.00 H new ATOM 0 HA THR A 44 -13.385 -5.242 -1.933 1.00 0.00 H new ATOM 0 HB THR A 44 -13.819 -2.750 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.909 -1.411 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.949 -2.516 -0.033 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.223 -4.109 -0.777 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.057 -3.939 0.556 1.00 0.00 H new ATOM 704 N MET A 45 -10.857 -3.458 -3.104 1.00 0.00 N ATOM 705 CA MET A 45 -10.112 -3.140 -4.321 1.00 0.00 C ATOM 706 C MET A 45 -9.776 -4.408 -5.113 1.00 0.00 C ATOM 707 O MET A 45 -10.014 -4.470 -6.321 1.00 0.00 O ATOM 708 CB MET A 45 -8.833 -2.370 -3.975 1.00 0.00 C ATOM 709 CG MET A 45 -8.131 -1.770 -5.183 1.00 0.00 C ATOM 710 SD MET A 45 -7.943 0.020 -5.059 1.00 0.00 S ATOM 711 CE MET A 45 -6.207 0.210 -5.459 1.00 0.00 C ATOM 0 H MET A 45 -10.452 -3.075 -2.250 1.00 0.00 H new ATOM 0 HA MET A 45 -10.743 -2.511 -4.949 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.079 -1.571 -3.276 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.144 -3.041 -3.462 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.148 -2.228 -5.292 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.696 -2.011 -6.083 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.753 0.928 -4.777 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.704 -0.752 -5.361 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.107 0.569 -6.483 1.00 0.00 H new ATOM 721 N ILE A 46 -9.228 -5.417 -4.429 1.00 0.00 N ATOM 722 CA ILE A 46 -8.869 -6.677 -5.073 1.00 0.00 C ATOM 723 C ILE A 46 -9.501 -7.858 -4.343 1.00 0.00 C ATOM 724 O ILE A 46 -9.489 -7.911 -3.113 1.00 0.00 O ATOM 725 CB ILE A 46 -7.342 -6.879 -5.112 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.637 -5.602 -5.572 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.986 -8.041 -6.024 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.149 -5.604 -5.300 1.00 0.00 C ATOM 0 H ILE A 46 -9.025 -5.383 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.247 -6.629 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.001 -7.111 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.803 -5.470 -6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.089 -4.746 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.904 -8.172 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.455 -8.952 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.343 -7.834 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.714 -4.669 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.975 -5.705 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.685 -6.440 -5.823 1.00 0.00 H new ATOM 740 N ASN A 47 -10.048 -8.804 -5.105 1.00 0.00 N ATOM 741 CA ASN A 47 -10.681 -9.986 -4.522 1.00 0.00 C ATOM 742 C ASN A 47 -10.627 -11.175 -5.488 1.00 0.00 C ATOM 743 O ASN A 47 -11.614 -11.893 -5.663 1.00 0.00 O ATOM 744 CB ASN A 47 -12.135 -9.674 -4.131 1.00 0.00 C ATOM 745 CG ASN A 47 -12.982 -9.226 -5.312 1.00 0.00 C ATOM 746 OD1 ASN A 47 -13.731 -10.016 -5.887 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.868 -7.953 -5.681 1.00 0.00 N ATOM 0 H ASN A 47 -10.066 -8.775 -6.124 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.127 -10.259 -3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.584 -10.561 -3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.142 -8.895 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.413 -7.599 -6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.236 -7.331 -5.178 1.00 0.00 H new ATOM 754 N ASN A 48 -9.465 -11.377 -6.114 1.00 0.00 N ATOM 755 CA ASN A 48 -9.285 -12.473 -7.061 1.00 0.00 C ATOM 756 C ASN A 48 -8.017 -13.266 -6.753 1.00 0.00 C ATOM 757 O ASN A 48 -6.939 -12.689 -6.600 1.00 0.00 O ATOM 758 CB ASN A 48 -9.221 -11.930 -8.491 1.00 0.00 C ATOM 759 CG ASN A 48 -10.141 -12.676 -9.444 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.899 -13.557 -9.038 1.00 0.00 O ATOM 761 ND2 ASN A 48 -10.079 -12.326 -10.724 1.00 0.00 N ATOM 0 H ASN A 48 -8.638 -10.795 -5.981 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.140 -13.142 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.489 -10.873 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.196 -11.997 -8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.673 -12.792 -11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.438 -11.591 -11.021 1.00 0.00 H new ATOM 768 N PRO A 49 -8.125 -14.609 -6.663 1.00 0.00 N ATOM 769 CA PRO A 49 -6.974 -15.476 -6.378 1.00 0.00 C ATOM 770 C PRO A 49 -5.973 -15.508 -7.533 1.00 0.00 C ATOM 771 O PRO A 49 -5.882 -16.495 -8.267 1.00 0.00 O ATOM 772 CB PRO A 49 -7.604 -16.856 -6.170 1.00 0.00 C ATOM 773 CG PRO A 49 -8.884 -16.807 -6.930 1.00 0.00 C ATOM 774 CD PRO A 49 -9.369 -15.386 -6.836 1.00 0.00 C ATOM 0 HA PRO A 49 -6.403 -15.125 -5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.954 -17.648 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.779 -17.056 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.732 -17.099 -7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.615 -17.497 -6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.908 -15.086 -7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.049 -15.248 -5.995 1.00 0.00 H new ATOM 782 N ASN A 50 -5.226 -14.417 -7.685 1.00 0.00 N ATOM 783 CA ASN A 50 -4.225 -14.302 -8.743 1.00 0.00 C ATOM 784 C ASN A 50 -3.382 -13.046 -8.549 1.00 0.00 C ATOM 785 O ASN A 50 -2.154 -13.115 -8.510 1.00 0.00 O ATOM 786 CB ASN A 50 -4.893 -14.272 -10.123 1.00 0.00 C ATOM 787 CG ASN A 50 -4.409 -15.396 -11.021 1.00 0.00 C ATOM 788 OD1 ASN A 50 -5.006 -16.470 -11.064 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.321 -15.152 -11.745 1.00 0.00 N ATOM 0 H ASN A 50 -5.296 -13.595 -7.085 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.576 -15.176 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.974 -14.346 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.690 -13.314 -10.602 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.951 -15.871 -12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.857 -14.246 -11.679 1.00 0.00 H new ATOM 796 N ASP A 51 -4.053 -11.903 -8.414 1.00 0.00 N ATOM 797 CA ASP A 51 -3.371 -10.626 -8.208 1.00 0.00 C ATOM 798 C ASP A 51 -3.036 -10.416 -6.733 1.00 0.00 C ATOM 799 O ASP A 51 -1.995 -9.848 -6.400 1.00 0.00 O ATOM 800 CB ASP A 51 -4.220 -9.450 -8.725 1.00 0.00 C ATOM 801 CG ASP A 51 -5.719 -9.603 -8.487 1.00 0.00 C ATOM 802 OD1 ASP A 51 -6.115 -10.331 -7.556 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.498 -8.983 -9.236 1.00 0.00 O ATOM 0 H ASP A 51 -5.070 -11.835 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.442 -10.659 -8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.880 -8.533 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.044 -9.333 -9.794 1.00 0.00 H new ATOM 808 N VAL A 52 -3.921 -10.877 -5.850 1.00 0.00 N ATOM 809 CA VAL A 52 -3.709 -10.737 -4.417 1.00 0.00 C ATOM 810 C VAL A 52 -2.946 -11.939 -3.857 1.00 0.00 C ATOM 811 O VAL A 52 -2.127 -11.789 -2.952 1.00 0.00 O ATOM 812 CB VAL A 52 -5.052 -10.557 -3.674 1.00 0.00 C ATOM 813 CG1 VAL A 52 -5.010 -11.166 -2.283 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.416 -9.084 -3.597 1.00 0.00 C ATOM 0 H VAL A 52 -4.789 -11.349 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.106 -9.843 -4.256 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.819 -11.085 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.972 -11.019 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.800 -12.233 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.227 -10.683 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.364 -8.970 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.636 -8.544 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.509 -8.679 -4.605 1.00 0.00 H new ATOM 824 N SER A 53 -3.216 -13.127 -4.403 1.00 0.00 N ATOM 825 CA SER A 53 -2.546 -14.350 -3.957 1.00 0.00 C ATOM 826 C SER A 53 -1.027 -14.240 -4.111 1.00 0.00 C ATOM 827 O SER A 53 -0.276 -14.707 -3.254 1.00 0.00 O ATOM 828 CB SER A 53 -3.060 -15.563 -4.741 1.00 0.00 C ATOM 829 OG SER A 53 -2.825 -16.767 -4.030 1.00 0.00 O ATOM 0 H SER A 53 -3.893 -13.268 -5.153 1.00 0.00 H new ATOM 0 HA SER A 53 -2.776 -14.484 -2.900 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.128 -15.452 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.567 -15.608 -5.712 1.00 0.00 H new ATOM 0 HG SER A 53 -3.163 -17.525 -4.550 1.00 0.00 H new ATOM 835 N ILE A 54 -0.578 -13.620 -5.205 1.00 0.00 N ATOM 836 CA ILE A 54 0.853 -13.456 -5.460 1.00 0.00 C ATOM 837 C ILE A 54 1.409 -12.223 -4.741 1.00 0.00 C ATOM 838 O ILE A 54 2.539 -12.242 -4.251 1.00 0.00 O ATOM 839 CB ILE A 54 1.156 -13.345 -6.972 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.477 -14.484 -7.740 1.00 0.00 C ATOM 841 CG2 ILE A 54 2.660 -13.366 -7.216 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.596 -14.360 -9.245 1.00 0.00 C ATOM 0 H ILE A 54 -1.183 -13.225 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 54 1.342 -14.348 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 54 0.758 -12.397 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.914 -15.432 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.578 -14.514 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.856 -13.287 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.124 -12.526 -6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.077 -14.300 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.092 -15.201 -9.720 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.133 -13.428 -9.571 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.649 -14.361 -9.528 1.00 0.00 H new ATOM 854 N PHE A 55 0.610 -11.156 -4.681 1.00 0.00 N ATOM 855 CA PHE A 55 1.021 -9.916 -4.022 1.00 0.00 C ATOM 856 C PHE A 55 1.119 -10.105 -2.506 1.00 0.00 C ATOM 857 O PHE A 55 2.137 -9.769 -1.897 1.00 0.00 O ATOM 858 CB PHE A 55 0.031 -8.793 -4.352 1.00 0.00 C ATOM 859 CG PHE A 55 0.404 -7.451 -3.779 1.00 0.00 C ATOM 860 CD1 PHE A 55 1.673 -6.927 -3.969 1.00 0.00 C ATOM 861 CD2 PHE A 55 -0.519 -6.715 -3.054 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.014 -5.695 -3.445 1.00 0.00 C ATOM 863 CE2 PHE A 55 -0.184 -5.482 -2.528 1.00 0.00 C ATOM 864 CZ PHE A 55 1.084 -4.971 -2.724 1.00 0.00 C ATOM 0 H PHE A 55 -0.327 -11.126 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 55 2.009 -9.643 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.050 -8.703 -5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.955 -9.073 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.403 -7.488 -4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.512 -7.110 -2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.007 -5.298 -3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.913 -4.919 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.348 -4.007 -2.314 1.00 0.00 H new ATOM 874 N ILE A 56 0.054 -10.641 -1.906 1.00 0.00 N ATOM 875 CA ILE A 56 0.013 -10.873 -0.464 1.00 0.00 C ATOM 876 C ILE A 56 0.018 -12.368 -0.146 1.00 0.00 C ATOM 877 O ILE A 56 -0.827 -13.119 -0.638 1.00 0.00 O ATOM 878 CB ILE A 56 -1.234 -10.225 0.179 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.365 -8.759 -0.249 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.175 -10.335 1.697 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.232 -7.875 0.233 1.00 0.00 C ATOM 0 H ILE A 56 -0.793 -10.923 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 56 0.908 -10.412 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.115 -10.764 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.413 -8.711 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.308 -8.363 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.062 -9.873 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.136 -11.386 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.284 -9.825 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.396 -6.853 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.196 -7.891 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.713 -8.244 -0.166 1.00 0.00 H new ATOM 893 N GLU A 57 0.973 -12.790 0.682 1.00 0.00 N ATOM 894 CA GLU A 57 1.095 -14.192 1.074 1.00 0.00 C ATOM 895 C GLU A 57 0.826 -14.362 2.568 1.00 0.00 C ATOM 896 O GLU A 57 1.492 -13.740 3.399 1.00 0.00 O ATOM 897 CB GLU A 57 2.491 -14.716 0.731 1.00 0.00 C ATOM 898 CG GLU A 57 2.536 -16.212 0.460 1.00 0.00 C ATOM 899 CD GLU A 57 3.926 -16.795 0.634 1.00 0.00 C ATOM 900 OE1 GLU A 57 4.375 -16.928 1.792 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.566 -17.118 -0.389 1.00 0.00 O ATOM 0 H GLU A 57 1.676 -12.177 1.095 1.00 0.00 H new ATOM 0 HA GLU A 57 0.352 -14.768 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.862 -14.186 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.168 -14.485 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.846 -16.720 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.190 -16.404 -0.556 1.00 0.00 H new ATOM 908 N ASP A 58 -0.156 -15.205 2.899 1.00 0.00 N ATOM 909 CA ASP A 58 -0.526 -15.461 4.293 1.00 0.00 C ATOM 910 C ASP A 58 -0.902 -14.159 5.001 1.00 0.00 C ATOM 911 O ASP A 58 -0.469 -13.903 6.127 1.00 0.00 O ATOM 912 CB ASP A 58 0.622 -16.160 5.034 1.00 0.00 C ATOM 913 CG ASP A 58 0.604 -17.667 4.851 1.00 0.00 C ATOM 914 OD1 ASP A 58 0.341 -18.129 3.719 1.00 0.00 O ATOM 915 OD2 ASP A 58 0.853 -18.386 5.841 1.00 0.00 O ATOM 0 H ASP A 58 -0.711 -15.723 2.218 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.395 -16.119 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.573 -15.766 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.559 -15.926 6.097 1.00 0.00 H new ATOM 920 N ASP A 59 -1.707 -13.335 4.325 1.00 0.00 N ATOM 921 CA ASP A 59 -2.146 -12.052 4.873 1.00 0.00 C ATOM 922 C ASP A 59 -0.951 -11.162 5.238 1.00 0.00 C ATOM 923 O ASP A 59 -1.015 -10.375 6.186 1.00 0.00 O ATOM 924 CB ASP A 59 -3.035 -12.279 6.100 1.00 0.00 C ATOM 925 CG ASP A 59 -4.195 -11.305 6.166 1.00 0.00 C ATOM 926 OD1 ASP A 59 -5.004 -11.279 5.213 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.297 -10.570 7.169 1.00 0.00 O ATOM 0 H ASP A 59 -2.069 -13.536 3.393 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.723 -11.537 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.421 -13.298 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.433 -12.183 7.003 1.00 0.00 H new ATOM 932 N SER A 60 0.138 -11.291 4.478 1.00 0.00 N ATOM 933 CA SER A 60 1.342 -10.502 4.718 1.00 0.00 C ATOM 934 C SER A 60 2.019 -10.128 3.400 1.00 0.00 C ATOM 935 O SER A 60 1.961 -10.883 2.427 1.00 0.00 O ATOM 936 CB SER A 60 2.314 -11.280 5.610 1.00 0.00 C ATOM 937 OG SER A 60 3.453 -10.501 5.932 1.00 0.00 O ATOM 0 H SER A 60 0.208 -11.936 3.691 1.00 0.00 H new ATOM 0 HA SER A 60 1.053 -9.582 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.807 -11.583 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.626 -12.192 5.102 1.00 0.00 H new ATOM 0 HG SER A 60 4.055 -11.022 6.503 1.00 0.00 H new ATOM 943 N ILE A 61 2.659 -8.958 3.376 1.00 0.00 N ATOM 944 CA ILE A 61 3.346 -8.479 2.175 1.00 0.00 C ATOM 945 C ILE A 61 4.472 -9.428 1.766 1.00 0.00 C ATOM 946 O ILE A 61 5.051 -10.121 2.606 1.00 0.00 O ATOM 947 CB ILE A 61 3.927 -7.059 2.374 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.848 -6.106 2.895 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.506 -6.531 1.068 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.164 -5.514 4.252 1.00 0.00 C ATOM 0 H ILE A 61 2.716 -8.325 4.174 1.00 0.00 H new ATOM 0 HA ILE A 61 2.598 -8.444 1.383 1.00 0.00 H new ATOM 0 HB ILE A 61 4.727 -7.118 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.713 -5.297 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.900 -6.641 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.910 -5.531 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.302 -7.194 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.721 -6.489 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.355 -4.849 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.269 -6.316 4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.095 -4.950 4.195 1.00 0.00 H new ATOM 962 N ARG A 62 4.778 -9.450 0.469 1.00 0.00 N ATOM 963 CA ARG A 62 5.835 -10.311 -0.058 1.00 0.00 C ATOM 964 C ARG A 62 7.167 -9.563 -0.133 1.00 0.00 C ATOM 965 O ARG A 62 7.197 -8.349 -0.349 1.00 0.00 O ATOM 966 CB ARG A 62 5.457 -10.841 -1.445 1.00 0.00 C ATOM 967 CG ARG A 62 4.819 -12.222 -1.415 1.00 0.00 C ATOM 968 CD ARG A 62 5.141 -13.016 -2.672 1.00 0.00 C ATOM 969 NE ARG A 62 6.380 -13.785 -2.539 1.00 0.00 N ATOM 970 CZ ARG A 62 6.731 -14.787 -3.352 1.00 0.00 C ATOM 971 NH1 ARG A 62 5.944 -15.143 -4.366 1.00 0.00 N ATOM 972 NH2 ARG A 62 7.875 -15.434 -3.154 1.00 0.00 N ATOM 0 H ARG A 62 4.309 -8.881 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 62 5.949 -11.153 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.767 -10.141 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.351 -10.876 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.172 -12.767 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.738 -12.122 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.317 -13.694 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.228 -12.334 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 62 7.015 -13.541 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.066 -14.650 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.220 -15.908 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.485 -15.166 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.143 -16.198 -3.774 1.00 0.00 H new ATOM 986 N PRO A 63 8.292 -10.285 0.044 1.00 0.00 N ATOM 987 CA PRO A 63 9.634 -9.690 -0.005 1.00 0.00 C ATOM 988 C PRO A 63 10.008 -9.207 -1.406 1.00 0.00 C ATOM 989 O PRO A 63 10.012 -9.988 -2.361 1.00 0.00 O ATOM 990 CB PRO A 63 10.552 -10.838 0.424 1.00 0.00 C ATOM 991 CG PRO A 63 9.791 -12.077 0.101 1.00 0.00 C ATOM 992 CD PRO A 63 8.342 -11.737 0.307 1.00 0.00 C ATOM 0 HA PRO A 63 9.707 -8.807 0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.501 -10.806 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.784 -10.782 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.976 -12.392 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.094 -12.901 0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.698 -12.292 -0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.013 -11.974 1.319 1.00 0.00 H new ATOM 1000 N GLY A 64 10.322 -7.917 -1.521 1.00 0.00 N ATOM 1001 CA GLY A 64 10.695 -7.352 -2.807 1.00 0.00 C ATOM 1002 C GLY A 64 9.953 -6.067 -3.121 1.00 0.00 C ATOM 1003 O GLY A 64 10.562 -5.086 -3.552 1.00 0.00 O ATOM 0 H GLY A 64 10.324 -7.254 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.768 -7.159 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.496 -8.082 -3.591 1.00 0.00 H new ATOM 1007 N ILE A 65 8.636 -6.072 -2.905 1.00 0.00 N ATOM 1008 CA ILE A 65 7.809 -4.896 -3.167 1.00 0.00 C ATOM 1009 C ILE A 65 8.191 -3.744 -2.243 1.00 0.00 C ATOM 1010 O ILE A 65 8.073 -3.846 -1.020 1.00 0.00 O ATOM 1011 CB ILE A 65 6.303 -5.202 -3.002 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.914 -6.450 -3.804 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.466 -4.005 -3.438 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.104 -7.450 -3.008 1.00 0.00 C ATOM 0 H ILE A 65 8.121 -6.878 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 65 7.992 -4.609 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 65 6.105 -5.397 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.341 -6.145 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.820 -6.935 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.408 -4.237 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.721 -3.140 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.669 -3.781 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.864 -8.307 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.682 -7.783 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.181 -6.981 -2.666 1.00 0.00 H new ATOM 1026 N ILE A 66 8.650 -2.650 -2.843 1.00 0.00 N ATOM 1027 CA ILE A 66 9.057 -1.468 -2.093 1.00 0.00 C ATOM 1028 C ILE A 66 7.845 -0.626 -1.693 1.00 0.00 C ATOM 1029 O ILE A 66 6.850 -0.569 -2.420 1.00 0.00 O ATOM 1030 CB ILE A 66 10.030 -0.599 -2.919 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.298 -1.387 -3.265 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.385 0.677 -2.169 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.043 -1.912 -2.054 1.00 0.00 C ATOM 0 H ILE A 66 8.750 -2.558 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 66 9.562 -1.814 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 66 9.531 -0.323 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.029 -2.226 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.966 -0.747 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.071 1.273 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.478 1.251 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.860 0.422 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.928 -2.458 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.345 -1.077 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.393 -2.579 -1.488 1.00 0.00 H new ATOM 1045 N THR A 67 7.944 0.031 -0.538 1.00 0.00 N ATOM 1046 CA THR A 67 6.868 0.881 -0.037 1.00 0.00 C ATOM 1047 C THR A 67 7.438 2.063 0.756 1.00 0.00 C ATOM 1048 O THR A 67 7.810 1.925 1.923 1.00 0.00 O ATOM 1049 CB THR A 67 5.895 0.064 0.825 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.865 0.892 1.336 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.555 -0.627 2.001 1.00 0.00 C ATOM 0 H THR A 67 8.762 -0.010 0.069 1.00 0.00 H new ATOM 0 HA THR A 67 6.317 1.279 -0.889 1.00 0.00 H new ATOM 0 HB THR A 67 5.498 -0.702 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.024 0.689 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.806 -1.184 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.320 -1.313 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.015 0.118 2.650 1.00 0.00 H new ATOM 1059 N LEU A 68 7.512 3.225 0.105 1.00 0.00 N ATOM 1060 CA LEU A 68 8.042 4.431 0.740 1.00 0.00 C ATOM 1061 C LEU A 68 6.919 5.371 1.169 1.00 0.00 C ATOM 1062 O LEU A 68 5.911 5.505 0.474 1.00 0.00 O ATOM 1063 CB LEU A 68 8.984 5.165 -0.215 1.00 0.00 C ATOM 1064 CG LEU A 68 10.245 4.396 -0.619 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.999 5.163 -1.694 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.137 4.147 0.591 1.00 0.00 C ATOM 0 H LEU A 68 7.212 3.356 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 68 8.593 4.121 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.430 5.420 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.285 6.104 0.250 1.00 0.00 H new ATOM 0 HG LEU A 68 9.949 3.428 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.895 4.609 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.360 5.288 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.284 6.142 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.027 3.599 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.432 5.101 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.591 3.562 1.331 1.00 0.00 H new ATOM 1078 N ILE A 69 7.106 6.025 2.315 1.00 0.00 N ATOM 1079 CA ILE A 69 6.116 6.960 2.843 1.00 0.00 C ATOM 1080 C ILE A 69 6.754 8.318 3.126 1.00 0.00 C ATOM 1081 O ILE A 69 7.590 8.443 4.024 1.00 0.00 O ATOM 1082 CB ILE A 69 5.462 6.418 4.135 1.00 0.00 C ATOM 1083 CG1 ILE A 69 4.991 4.974 3.926 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.298 7.306 4.564 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.811 4.198 5.212 1.00 0.00 C ATOM 0 H ILE A 69 7.938 5.923 2.897 1.00 0.00 H new ATOM 0 HA ILE A 69 5.342 7.077 2.084 1.00 0.00 H new ATOM 0 HB ILE A 69 6.207 6.429 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.045 4.985 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.713 4.454 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.852 6.907 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.661 8.317 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.548 7.330 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.477 3.186 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.760 4.154 5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.066 4.694 5.835 1.00 0.00 H new ATOM 1097 N ASN A 70 6.360 9.330 2.346 1.00 0.00 N ATOM 1098 CA ASN A 70 6.893 10.687 2.499 1.00 0.00 C ATOM 1099 C ASN A 70 8.410 10.708 2.285 1.00 0.00 C ATOM 1100 O ASN A 70 9.147 11.333 3.051 1.00 0.00 O ATOM 1101 CB ASN A 70 6.541 11.248 3.886 1.00 0.00 C ATOM 1102 CG ASN A 70 5.313 12.144 3.871 1.00 0.00 C ATOM 1103 OD1 ASN A 70 5.289 13.187 4.524 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.281 11.746 3.132 1.00 0.00 N ATOM 0 H ASN A 70 5.671 9.234 1.600 1.00 0.00 H new ATOM 0 HA ASN A 70 6.434 11.319 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.371 10.420 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.391 11.812 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.433 12.312 3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.338 10.875 2.604 1.00 0.00 H new ATOM 1111 N ASP A 71 8.868 10.015 1.237 1.00 0.00 N ATOM 1112 CA ASP A 71 10.293 9.943 0.911 1.00 0.00 C ATOM 1113 C ASP A 71 11.098 9.365 2.080 1.00 0.00 C ATOM 1114 O ASP A 71 12.209 9.816 2.367 1.00 0.00 O ATOM 1115 CB ASP A 71 10.826 11.330 0.529 1.00 0.00 C ATOM 1116 CG ASP A 71 10.458 11.723 -0.889 1.00 0.00 C ATOM 1117 OD1 ASP A 71 9.251 11.894 -1.166 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.377 11.859 -1.724 1.00 0.00 O ATOM 0 H ASP A 71 8.267 9.494 0.598 1.00 0.00 H new ATOM 0 HA ASP A 71 10.410 9.275 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.430 12.072 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.911 11.341 0.636 1.00 0.00 H new ATOM 1123 N THR A 72 10.530 8.362 2.749 1.00 0.00 N ATOM 1124 CA THR A 72 11.189 7.719 3.882 1.00 0.00 C ATOM 1125 C THR A 72 10.906 6.217 3.886 1.00 0.00 C ATOM 1126 O THR A 72 10.015 5.743 3.176 1.00 0.00 O ATOM 1127 CB THR A 72 10.722 8.348 5.201 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.585 9.752 5.072 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.665 8.092 6.356 1.00 0.00 C ATOM 0 H THR A 72 9.612 7.977 2.524 1.00 0.00 H new ATOM 0 HA THR A 72 12.264 7.870 3.783 1.00 0.00 H new ATOM 0 HB THR A 72 9.765 7.874 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.285 10.131 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.274 8.565 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.756 7.018 6.520 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.645 8.508 6.124 1.00 0.00 H new ATOM 1137 N ASP A 73 11.666 5.473 4.691 1.00 0.00 N ATOM 1138 CA ASP A 73 11.492 4.027 4.785 1.00 0.00 C ATOM 1139 C ASP A 73 10.312 3.679 5.688 1.00 0.00 C ATOM 1140 O ASP A 73 10.256 4.105 6.844 1.00 0.00 O ATOM 1141 CB ASP A 73 12.771 3.364 5.311 1.00 0.00 C ATOM 1142 CG ASP A 73 13.505 2.593 4.232 1.00 0.00 C ATOM 1143 OD1 ASP A 73 14.227 3.228 3.436 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.355 1.354 4.182 1.00 0.00 O ATOM 0 H ASP A 73 12.405 5.849 5.285 1.00 0.00 H new ATOM 0 HA ASP A 73 11.285 3.647 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.431 4.128 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.518 2.689 6.128 1.00 0.00 H new ATOM 1149 N TRP A 74 9.368 2.908 5.146 1.00 0.00 N ATOM 1150 CA TRP A 74 8.176 2.498 5.891 1.00 0.00 C ATOM 1151 C TRP A 74 8.534 1.871 7.242 1.00 0.00 C ATOM 1152 O TRP A 74 7.817 2.060 8.222 1.00 0.00 O ATOM 1153 CB TRP A 74 7.330 1.516 5.066 1.00 0.00 C ATOM 1154 CG TRP A 74 7.980 0.178 4.837 1.00 0.00 C ATOM 1155 CD1 TRP A 74 9.271 -0.060 4.455 1.00 0.00 C ATOM 1156 CD2 TRP A 74 7.359 -1.107 4.967 1.00 0.00 C ATOM 1157 NE1 TRP A 74 9.491 -1.410 4.349 1.00 0.00 N ATOM 1158 CE2 TRP A 74 8.333 -2.075 4.656 1.00 0.00 C ATOM 1159 CE3 TRP A 74 6.075 -1.533 5.318 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 8.062 -3.441 4.686 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 5.807 -2.889 5.345 1.00 0.00 C ATOM 1162 CH2 TRP A 74 6.797 -3.829 5.032 1.00 0.00 C ATOM 0 H TRP A 74 9.406 2.554 4.190 1.00 0.00 H new ATOM 0 HA TRP A 74 7.593 3.399 6.083 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.377 1.362 5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.108 1.969 4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.010 0.704 4.264 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.374 -1.848 4.085 1.00 0.00 H new ATOM 0 HE3 TRP A 74 5.306 -0.816 5.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.824 -4.168 4.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.817 -3.229 5.612 1.00 0.00 H new ATOM 0 HH2 TRP A 74 6.557 -4.881 5.065 1.00 0.00 H new ATOM 1173 N GLU A 75 9.639 1.125 7.288 1.00 0.00 N ATOM 1174 CA GLU A 75 10.074 0.474 8.523 1.00 0.00 C ATOM 1175 C GLU A 75 10.785 1.459 9.451 1.00 0.00 C ATOM 1176 O GLU A 75 10.596 1.417 10.667 1.00 0.00 O ATOM 1177 CB GLU A 75 10.996 -0.704 8.204 1.00 0.00 C ATOM 1178 CG GLU A 75 10.714 -1.945 9.038 1.00 0.00 C ATOM 1179 CD GLU A 75 11.929 -2.416 9.812 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.789 -3.095 9.211 1.00 0.00 O ATOM 1181 OE2 GLU A 75 12.022 -2.106 11.019 1.00 0.00 O ATOM 0 H GLU A 75 10.247 0.957 6.486 1.00 0.00 H new ATOM 0 HA GLU A 75 9.186 0.106 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.896 -0.956 7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.030 -0.398 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.903 -1.733 9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.371 -2.747 8.385 1.00 0.00 H new ATOM 1188 N LEU A 76 11.601 2.343 8.871 1.00 0.00 N ATOM 1189 CA LEU A 76 12.338 3.343 9.649 1.00 0.00 C ATOM 1190 C LEU A 76 11.388 4.241 10.451 1.00 0.00 C ATOM 1191 O LEU A 76 11.777 4.801 11.478 1.00 0.00 O ATOM 1192 CB LEU A 76 13.207 4.202 8.724 1.00 0.00 C ATOM 1193 CG LEU A 76 14.577 4.590 9.292 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.606 4.710 8.176 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.484 5.891 10.081 1.00 0.00 C ATOM 0 H LEU A 76 11.768 2.387 7.866 1.00 0.00 H new ATOM 0 HA LEU A 76 12.977 2.809 10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.358 3.662 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.661 5.113 8.481 1.00 0.00 H new ATOM 0 HG LEU A 76 14.901 3.802 9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.572 4.986 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.696 3.754 7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.288 5.476 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.467 6.148 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.135 6.690 9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.783 5.767 10.906 1.00 0.00 H new ATOM 1207 N GLU A 77 10.144 4.373 9.979 1.00 0.00 N ATOM 1208 CA GLU A 77 9.146 5.197 10.656 1.00 0.00 C ATOM 1209 C GLU A 77 8.099 4.331 11.364 1.00 0.00 C ATOM 1210 O GLU A 77 7.616 4.689 12.439 1.00 0.00 O ATOM 1211 CB GLU A 77 8.465 6.136 9.656 1.00 0.00 C ATOM 1212 CG GLU A 77 8.398 7.582 10.125 1.00 0.00 C ATOM 1213 CD GLU A 77 9.771 8.197 10.328 1.00 0.00 C ATOM 1214 OE1 GLU A 77 10.450 8.481 9.318 1.00 0.00 O ATOM 1215 OE2 GLU A 77 10.169 8.393 11.496 1.00 0.00 O ATOM 0 H GLU A 77 9.807 3.918 9.130 1.00 0.00 H new ATOM 0 HA GLU A 77 9.659 5.793 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.002 6.095 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.453 5.778 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.845 8.171 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.841 7.631 11.061 1.00 0.00 H new ATOM 1222 N GLY A 78 7.750 3.192 10.756 1.00 0.00 N ATOM 1223 CA GLY A 78 6.765 2.300 11.346 1.00 0.00 C ATOM 1224 C GLY A 78 6.130 1.379 10.322 1.00 0.00 C ATOM 1225 O GLY A 78 5.213 1.783 9.607 1.00 0.00 O ATOM 0 H GLY A 78 8.134 2.875 9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.241 1.702 12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.988 2.891 11.830 1.00 0.00 H new ATOM 1229 N GLU A 79 6.628 0.141 10.246 1.00 0.00 N ATOM 1230 CA GLU A 79 6.116 -0.852 9.295 1.00 0.00 C ATOM 1231 C GLU A 79 4.586 -0.821 9.218 1.00 0.00 C ATOM 1232 O GLU A 79 4.020 -0.400 8.208 1.00 0.00 O ATOM 1233 CB GLU A 79 6.598 -2.254 9.682 1.00 0.00 C ATOM 1234 CG GLU A 79 7.040 -3.087 8.492 1.00 0.00 C ATOM 1235 CD GLU A 79 7.137 -4.565 8.813 1.00 0.00 C ATOM 1236 OE1 GLU A 79 6.087 -5.183 9.090 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.263 -5.104 8.785 1.00 0.00 O ATOM 0 H GLU A 79 7.389 -0.199 10.834 1.00 0.00 H new ATOM 0 HA GLU A 79 6.505 -0.599 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.428 -2.165 10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.795 -2.775 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.336 -2.943 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.010 -2.731 8.145 1.00 0.00 H new ATOM 1244 N LYS A 80 3.923 -1.260 10.290 1.00 0.00 N ATOM 1245 CA LYS A 80 2.461 -1.268 10.341 1.00 0.00 C ATOM 1246 C LYS A 80 1.946 -0.337 11.442 1.00 0.00 C ATOM 1247 O LYS A 80 0.918 0.322 11.274 1.00 0.00 O ATOM 1248 CB LYS A 80 1.934 -2.686 10.570 1.00 0.00 C ATOM 1249 CG LYS A 80 0.416 -2.760 10.652 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.066 -4.177 10.927 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.803 -4.270 12.256 1.00 0.00 C ATOM 1252 NZ LYS A 80 -2.050 -5.081 12.149 1.00 0.00 N ATOM 0 H LYS A 80 4.375 -1.614 11.133 1.00 0.00 H new ATOM 0 HA LYS A 80 2.094 -0.907 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.279 -3.329 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.360 -3.080 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.062 -2.096 11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.016 -2.404 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.725 -4.501 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.786 -4.857 10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.146 -4.713 13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.052 -3.267 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.520 -5.119 13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.689 -4.645 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.811 -6.046 11.843 1.00 0.00 H new ATOM 1266 N ASP A 81 2.671 -0.292 12.566 1.00 0.00 N ATOM 1267 CA ASP A 81 2.301 0.556 13.701 1.00 0.00 C ATOM 1268 C ASP A 81 2.135 2.019 13.278 1.00 0.00 C ATOM 1269 O ASP A 81 1.406 2.775 13.924 1.00 0.00 O ATOM 1270 CB ASP A 81 3.355 0.443 14.813 1.00 0.00 C ATOM 1271 CG ASP A 81 3.044 -0.660 15.814 1.00 0.00 C ATOM 1272 OD1 ASP A 81 2.415 -1.668 15.422 1.00 0.00 O ATOM 1273 OD2 ASP A 81 3.435 -0.516 16.991 1.00 0.00 O ATOM 0 H ASP A 81 3.521 -0.836 12.712 1.00 0.00 H new ATOM 0 HA ASP A 81 1.341 0.206 14.080 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.330 0.255 14.364 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.424 1.395 15.339 1.00 0.00 H new ATOM 1278 N TYR A 82 2.806 2.410 12.187 1.00 0.00 N ATOM 1279 CA TYR A 82 2.720 3.776 11.674 1.00 0.00 C ATOM 1280 C TYR A 82 1.260 4.194 11.489 1.00 0.00 C ATOM 1281 O TYR A 82 0.560 3.678 10.612 1.00 0.00 O ATOM 1282 CB TYR A 82 3.476 3.892 10.346 1.00 0.00 C ATOM 1283 CG TYR A 82 3.392 5.260 9.700 1.00 0.00 C ATOM 1284 CD1 TYR A 82 4.325 6.246 9.994 1.00 0.00 C ATOM 1285 CD2 TYR A 82 2.383 5.561 8.792 1.00 0.00 C ATOM 1286 CE1 TYR A 82 4.256 7.492 9.403 1.00 0.00 C ATOM 1287 CE2 TYR A 82 2.308 6.803 8.196 1.00 0.00 C ATOM 1288 CZ TYR A 82 3.247 7.766 8.506 1.00 0.00 C ATOM 1289 OH TYR A 82 3.182 9.008 7.916 1.00 0.00 O ATOM 0 H TYR A 82 3.414 1.796 11.645 1.00 0.00 H new ATOM 0 HA TYR A 82 3.180 4.445 12.401 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.524 3.646 10.515 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.083 3.150 9.651 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.118 6.035 10.697 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.646 4.810 8.549 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.989 8.248 9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.519 7.020 7.491 1.00 0.00 H new ATOM 0 HH TYR A 82 2.246 9.234 7.731 1.00 0.00 H new ATOM 1299 N ILE A 83 0.813 5.128 12.325 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.558 5.623 12.268 1.00 0.00 C ATOM 1301 C ILE A 83 -0.785 6.429 10.990 1.00 0.00 C ATOM 1302 O ILE A 83 0.093 7.180 10.560 1.00 0.00 O ATOM 1303 CB ILE A 83 -0.891 6.503 13.497 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.551 5.765 14.800 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.359 6.911 13.485 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -0.233 6.690 15.958 1.00 0.00 C ATOM 0 H ILE A 83 1.384 5.558 13.053 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.218 4.756 12.272 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.282 7.406 13.443 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.391 5.127 15.076 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.302 5.110 14.624 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.572 7.529 14.357 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.572 7.477 12.578 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.985 6.019 13.511 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.003 6.098 16.844 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.626 7.310 15.703 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.093 7.328 16.161 1.00 0.00 H new ATOM 1318 N LEU A 84 -1.964 6.269 10.388 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.300 6.985 9.161 1.00 0.00 C ATOM 1320 C LEU A 84 -2.329 8.496 9.400 1.00 0.00 C ATOM 1321 O LEU A 84 -2.152 8.959 10.530 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.651 6.506 8.619 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.617 5.178 7.850 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.988 4.859 7.271 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.566 5.216 6.747 1.00 0.00 C ATOM 0 H LEU A 84 -2.700 5.651 10.731 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.528 6.773 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.344 6.405 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.054 7.277 7.962 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.346 4.388 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.943 3.914 6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.715 4.780 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.289 5.654 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.561 4.264 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.800 6.019 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.584 5.392 7.186 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.553 9.259 8.331 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.600 10.711 8.418 1.00 0.00 C ATOM 1339 C GLU A 85 -3.110 11.305 7.112 1.00 0.00 C ATOM 1340 O GLU A 85 -2.377 11.369 6.120 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.214 11.279 8.736 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.188 12.172 9.964 1.00 0.00 C ATOM 1343 CD GLU A 85 0.213 12.367 10.507 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.651 11.535 11.331 1.00 0.00 O ATOM 1345 OE2 GLU A 85 0.874 13.348 10.107 1.00 0.00 O ATOM 0 H GLU A 85 -2.705 8.890 7.392 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.284 10.980 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.518 10.453 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.858 11.847 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.616 13.143 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.818 11.737 10.740 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.372 11.729 7.123 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.005 12.323 5.946 1.00 0.00 C ATOM 1354 C ASP A 86 -4.056 13.300 5.254 1.00 0.00 C ATOM 1355 O ASP A 86 -3.775 14.385 5.773 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.303 13.041 6.337 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.277 13.192 5.177 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.874 12.972 4.014 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.446 13.532 5.434 1.00 0.00 O ATOM 0 H ASP A 86 -4.980 11.672 7.940 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.243 11.519 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.789 12.488 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.060 14.028 6.730 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.557 12.895 4.089 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.630 13.722 3.337 1.00 0.00 C ATOM 1366 C GLY A 87 -1.221 13.144 3.305 1.00 0.00 C ATOM 1367 O GLY A 87 -0.244 13.892 3.223 1.00 0.00 O ATOM 0 H GLY A 87 -3.781 12.002 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.996 13.835 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.600 14.719 3.777 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.115 11.813 3.368 1.00 0.00 N ATOM 1372 CA ASP A 88 0.181 11.138 3.345 1.00 0.00 C ATOM 1373 C ASP A 88 0.450 10.512 1.975 1.00 0.00 C ATOM 1374 O ASP A 88 -0.461 10.368 1.156 1.00 0.00 O ATOM 1375 CB ASP A 88 0.233 10.058 4.429 1.00 0.00 C ATOM 1376 CG ASP A 88 1.285 10.340 5.484 1.00 0.00 C ATOM 1377 OD1 ASP A 88 2.489 10.296 5.153 1.00 0.00 O ATOM 1378 OD2 ASP A 88 0.906 10.601 6.641 1.00 0.00 O ATOM 0 H ASP A 88 -1.914 11.183 3.435 1.00 0.00 H new ATOM 0 HA ASP A 88 0.953 11.882 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.744 9.981 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.438 9.093 3.966 1.00 0.00 H new ATOM 1383 N ILE A 89 1.711 10.143 1.736 1.00 0.00 N ATOM 1384 CA ILE A 89 2.112 9.532 0.470 1.00 0.00 C ATOM 1385 C ILE A 89 2.599 8.103 0.689 1.00 0.00 C ATOM 1386 O ILE A 89 3.276 7.812 1.676 1.00 0.00 O ATOM 1387 CB ILE A 89 3.226 10.346 -0.236 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.676 11.678 -0.757 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.833 9.546 -1.385 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.150 12.588 0.330 1.00 0.00 C ATOM 0 H ILE A 89 2.472 10.258 2.405 1.00 0.00 H new ATOM 0 HA ILE A 89 1.230 9.525 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 89 4.007 10.553 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.464 12.197 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.875 11.476 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.613 10.136 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.264 8.623 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.057 9.307 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.778 13.510 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.339 12.089 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.953 12.821 1.029 1.00 0.00 H new ATOM 1402 N ILE A 90 2.249 7.219 -0.243 1.00 0.00 N ATOM 1403 CA ILE A 90 2.647 5.814 -0.163 1.00 0.00 C ATOM 1404 C ILE A 90 3.076 5.286 -1.535 1.00 0.00 C ATOM 1405 O ILE A 90 2.258 4.776 -2.303 1.00 0.00 O ATOM 1406 CB ILE A 90 1.507 4.931 0.395 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.045 5.446 1.763 1.00 0.00 C ATOM 1408 CG2 ILE A 90 1.955 3.480 0.495 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.035 6.571 1.679 1.00 0.00 C ATOM 0 H ILE A 90 1.690 7.451 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 90 3.494 5.762 0.522 1.00 0.00 H new ATOM 0 HB ILE A 90 0.664 4.985 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.610 4.620 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.914 5.790 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.140 2.874 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.232 3.116 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.815 3.410 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.246 6.884 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.473 7.414 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.851 6.226 1.146 1.00 0.00 H new ATOM 1421 N SER A 91 4.368 5.414 -1.834 1.00 0.00 N ATOM 1422 CA SER A 91 4.916 4.955 -3.109 1.00 0.00 C ATOM 1423 C SER A 91 5.185 3.451 -3.083 1.00 0.00 C ATOM 1424 O SER A 91 5.780 2.937 -2.134 1.00 0.00 O ATOM 1425 CB SER A 91 6.210 5.705 -3.437 1.00 0.00 C ATOM 1426 OG SER A 91 6.196 7.018 -2.901 1.00 0.00 O ATOM 0 H SER A 91 5.056 5.833 -1.209 1.00 0.00 H new ATOM 0 HA SER A 91 4.176 5.162 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.062 5.156 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.341 5.753 -4.518 1.00 0.00 H new ATOM 0 HG SER A 91 7.035 7.472 -3.125 1.00 0.00 H new ATOM 1432 N PHE A 92 4.747 2.755 -4.131 1.00 0.00 N ATOM 1433 CA PHE A 92 4.939 1.311 -4.239 1.00 0.00 C ATOM 1434 C PHE A 92 5.775 0.963 -5.469 1.00 0.00 C ATOM 1435 O PHE A 92 5.312 1.103 -6.600 1.00 0.00 O ATOM 1436 CB PHE A 92 3.584 0.600 -4.316 1.00 0.00 C ATOM 1437 CG PHE A 92 2.948 0.355 -2.976 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.546 -0.489 -2.054 1.00 0.00 C ATOM 1439 CD2 PHE A 92 1.752 0.969 -2.641 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.962 -0.717 -0.824 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.163 0.743 -1.412 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.769 -0.100 -0.502 1.00 0.00 C ATOM 0 H PHE A 92 4.254 3.171 -4.921 1.00 0.00 H new ATOM 0 HA PHE A 92 5.472 0.974 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.906 1.197 -4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.714 -0.355 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.479 -0.974 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.275 1.631 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.438 -1.377 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.229 1.225 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.311 -0.277 0.460 1.00 0.00 H new ATOM 1452 N THR A 93 7.007 0.508 -5.243 1.00 0.00 N ATOM 1453 CA THR A 93 7.906 0.139 -6.338 1.00 0.00 C ATOM 1454 C THR A 93 8.239 -1.352 -6.289 1.00 0.00 C ATOM 1455 O THR A 93 9.080 -1.786 -5.500 1.00 0.00 O ATOM 1456 CB THR A 93 9.197 0.968 -6.281 1.00 0.00 C ATOM 1457 OG1 THR A 93 8.990 2.191 -5.595 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.757 1.302 -7.648 1.00 0.00 C ATOM 0 H THR A 93 7.406 0.386 -4.312 1.00 0.00 H new ATOM 0 HA THR A 93 7.395 0.350 -7.277 1.00 0.00 H new ATOM 0 HB THR A 93 9.913 0.338 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.828 2.699 -5.571 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.669 1.889 -7.534 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.983 0.380 -8.184 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.023 1.878 -8.211 1.00 0.00 H new ATOM 1466 N SER A 94 7.572 -2.133 -7.137 1.00 0.00 N ATOM 1467 CA SER A 94 7.794 -3.576 -7.194 1.00 0.00 C ATOM 1468 C SER A 94 8.854 -3.919 -8.240 1.00 0.00 C ATOM 1469 O SER A 94 8.536 -4.177 -9.404 1.00 0.00 O ATOM 1470 CB SER A 94 6.481 -4.302 -7.503 1.00 0.00 C ATOM 1471 OG SER A 94 6.663 -5.708 -7.513 1.00 0.00 O ATOM 0 H SER A 94 6.872 -1.790 -7.795 1.00 0.00 H new ATOM 0 HA SER A 94 8.156 -3.908 -6.221 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.731 -4.035 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.100 -3.975 -8.471 1.00 0.00 H new ATOM 0 HG SER A 94 5.809 -6.147 -7.711 1.00 0.00 H new ATOM 1477 N THR A 95 10.117 -3.912 -7.815 1.00 0.00 N ATOM 1478 CA THR A 95 11.237 -4.216 -8.707 1.00 0.00 C ATOM 1479 C THR A 95 12.031 -5.445 -8.233 1.00 0.00 C ATOM 1480 O THR A 95 12.986 -5.854 -8.894 1.00 0.00 O ATOM 1481 CB THR A 95 12.166 -2.998 -8.810 1.00 0.00 C ATOM 1482 OG1 THR A 95 11.414 -1.804 -8.975 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.155 -3.081 -9.958 1.00 0.00 C ATOM 0 H THR A 95 10.391 -3.699 -6.856 1.00 0.00 H new ATOM 0 HA THR A 95 10.826 -4.449 -9.689 1.00 0.00 H new ATOM 0 HB THR A 95 12.726 -2.989 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.024 -1.039 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.777 -2.186 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.786 -3.961 -9.832 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.613 -3.156 -10.901 1.00 0.00 H new ATOM 1491 N LEU A 96 11.631 -6.029 -7.090 1.00 0.00 N ATOM 1492 CA LEU A 96 12.303 -7.205 -6.531 1.00 0.00 C ATOM 1493 C LEU A 96 13.728 -6.864 -6.096 1.00 0.00 C ATOM 1494 O LEU A 96 14.628 -6.740 -6.929 1.00 0.00 O ATOM 1495 CB LEU A 96 12.318 -8.358 -7.545 1.00 0.00 C ATOM 1496 CG LEU A 96 10.960 -8.701 -8.173 1.00 0.00 C ATOM 1497 CD1 LEU A 96 11.153 -9.494 -9.457 1.00 0.00 C ATOM 1498 CD2 LEU A 96 10.095 -9.477 -7.189 1.00 0.00 C ATOM 0 H LEU A 96 10.840 -5.700 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 96 11.742 -7.524 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.016 -8.107 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.706 -9.249 -7.051 1.00 0.00 H new ATOM 0 HG LEU A 96 10.449 -7.770 -8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.180 -9.729 -9.889 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.732 -8.903 -10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.685 -10.419 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.137 -9.711 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.600 -10.403 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.929 -8.874 -6.297 1.00 0.00 H new ATOM 1510 N HIS A 97 13.919 -6.710 -4.782 1.00 0.00 N ATOM 1511 CA HIS A 97 15.228 -6.376 -4.208 1.00 0.00 C ATOM 1512 C HIS A 97 15.672 -4.962 -4.597 1.00 0.00 C ATOM 1513 O HIS A 97 15.177 -4.387 -5.570 1.00 0.00 O ATOM 1514 CB HIS A 97 16.291 -7.390 -4.644 1.00 0.00 C ATOM 1515 CG HIS A 97 16.275 -8.662 -3.856 1.00 0.00 C ATOM 1516 ND1 HIS A 97 15.793 -9.851 -4.359 1.00 0.00 N ATOM 1517 CD2 HIS A 97 16.701 -8.931 -2.599 1.00 0.00 C ATOM 1518 CE1 HIS A 97 15.923 -10.797 -3.446 1.00 0.00 C ATOM 1519 NE2 HIS A 97 16.472 -10.265 -2.370 1.00 0.00 N ATOM 0 H HIS A 97 13.177 -6.812 -4.090 1.00 0.00 H new ATOM 0 HA HIS A 97 15.121 -6.415 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 97 16.144 -7.625 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.275 -6.931 -4.554 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.139 -8.228 -1.906 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.630 -11.830 -3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 97 16.691 -10.764 -1.508 1.00 0.00 H new ATOM 1528 N GLY A 98 16.611 -4.406 -3.827 1.00 0.00 N ATOM 1529 CA GLY A 98 17.108 -3.067 -4.106 1.00 0.00 C ATOM 1530 C GLY A 98 18.561 -2.870 -3.699 1.00 0.00 C ATOM 1531 O GLY A 98 18.942 -1.783 -3.263 1.00 0.00 O ATOM 0 H GLY A 98 17.034 -4.859 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.005 -2.863 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.489 -2.340 -3.581 1.00 0.00 H new ATOM 1535 N GLY A 99 19.375 -3.919 -3.848 1.00 0.00 N ATOM 1536 CA GLY A 99 20.783 -3.832 -3.494 1.00 0.00 C ATOM 1537 C GLY A 99 21.687 -3.825 -4.712 1.00 0.00 C ATOM 1538 O GLY A 99 22.569 -2.944 -4.793 1.00 0.00 O ATOM 0 H GLY A 99 19.081 -4.827 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 99 20.953 -2.925 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 99 21.047 -4.674 -2.854 1.00 0.00 H new TER 1542 GLY A 99