USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 683 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 13 ASN : amide:sc= -7.66! C(o=-12!,f=-15!) USER MOD Set 1.2: A 84 ASN : amide:sc= -4.08! C(o=-12!,f=-19!) USER MOD Set 2.1: A 4 TYR OH : rot -29:sc= 0.00393 USER MOD Set 2.2: A 67 MET CE :methyl -175:sc= -1.82 (180deg=-2.05) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.263 (180deg=-0.4) USER MOD Single : A 7 ASN : amide:sc= -0.486 K(o=-0.49,f=-3!) USER MOD Single : A 11 ASN : amide:sc= -4.95! C(o=-5!,f=-8!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.357 F(o=-1.3,f=-0.36) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.129 F(o=-0.86,f=-0.13) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 114:sc= -5.07! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.6) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 96:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.888 -10.137 4.976 1.00 0.00 N ATOM 2 CA MET A 1 -7.949 -11.132 5.571 1.00 0.00 C ATOM 3 C MET A 1 -6.521 -10.868 5.086 1.00 0.00 C ATOM 4 O MET A 1 -5.563 -11.340 5.665 1.00 0.00 O ATOM 5 CB MET A 1 -8.441 -12.491 5.071 1.00 0.00 C ATOM 6 CG MET A 1 -8.184 -13.553 6.142 1.00 0.00 C ATOM 7 SD MET A 1 -9.753 -14.328 6.610 1.00 0.00 S ATOM 8 CE MET A 1 -9.066 -15.890 7.212 1.00 0.00 C ATOM 0 H1 MET A 1 -9.764 -10.109 5.535 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.445 -9.196 4.980 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.110 -10.411 3.998 1.00 0.00 H new ATOM 0 HA MET A 1 -7.930 -11.081 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.505 -12.442 4.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.927 -12.759 4.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.492 -14.306 5.764 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.715 -13.099 7.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.875 -16.534 7.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.527 -16.385 6.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.382 -15.693 8.037 1.00 0.00 H new ATOM 20 N ARG A 2 -6.370 -10.120 4.028 1.00 0.00 N ATOM 21 CA ARG A 2 -5.000 -9.832 3.509 1.00 0.00 C ATOM 22 C ARG A 2 -4.626 -8.371 3.779 1.00 0.00 C ATOM 23 O ARG A 2 -5.477 -7.530 3.991 1.00 0.00 O ATOM 24 CB ARG A 2 -5.081 -10.099 2.005 1.00 0.00 C ATOM 25 CG ARG A 2 -5.409 -11.574 1.761 1.00 0.00 C ATOM 26 CD ARG A 2 -4.118 -12.348 1.475 1.00 0.00 C ATOM 27 NE ARG A 2 -4.555 -13.752 1.233 1.00 0.00 N ATOM 28 CZ ARG A 2 -3.703 -14.632 0.784 1.00 0.00 C ATOM 29 NH1 ARG A 2 -2.779 -14.271 -0.064 1.00 0.00 N ATOM 30 NH2 ARG A 2 -3.775 -15.873 1.180 1.00 0.00 N ATOM 0 H ARG A 2 -7.133 -9.696 3.500 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.239 -10.446 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.846 -9.467 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.135 -9.843 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.911 -11.994 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.096 -11.670 0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.598 -11.941 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.428 -12.289 2.317 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.520 -14.025 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.723 -13.301 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.113 -14.959 -0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.498 -16.156 1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.108 -16.560 0.828 1.00 0.00 H new ATOM 44 N ARG A 3 -3.356 -8.066 3.775 1.00 0.00 N ATOM 45 CA ARG A 3 -2.924 -6.662 4.034 1.00 0.00 C ATOM 46 C ARG A 3 -2.631 -5.945 2.716 1.00 0.00 C ATOM 47 O ARG A 3 -1.875 -6.425 1.895 1.00 0.00 O ATOM 48 CB ARG A 3 -1.647 -6.789 4.865 1.00 0.00 C ATOM 49 CG ARG A 3 -2.004 -7.206 6.293 1.00 0.00 C ATOM 50 CD ARG A 3 -1.272 -8.503 6.641 1.00 0.00 C ATOM 51 NE ARG A 3 0.170 -8.133 6.667 1.00 0.00 N ATOM 52 CZ ARG A 3 0.962 -8.527 5.710 1.00 0.00 C ATOM 53 NH1 ARG A 3 1.388 -9.760 5.682 1.00 0.00 N ATOM 54 NH2 ARG A 3 1.327 -7.689 4.778 1.00 0.00 N ATOM 0 H ARG A 3 -2.599 -8.728 3.604 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.692 -6.083 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.981 -7.525 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.112 -5.839 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.726 -6.419 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.081 -7.348 6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.597 -8.894 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.468 -9.278 5.900 1.00 0.00 H new ATOM 0 HE ARG A 3 0.538 -7.571 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.101 -10.415 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.008 -10.069 4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.992 -6.726 4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.947 -7.998 4.029 1.00 0.00 H new ATOM 68 N TYR A 4 -3.213 -4.793 2.503 1.00 0.00 N ATOM 69 CA TYR A 4 -2.941 -4.063 1.234 1.00 0.00 C ATOM 70 C TYR A 4 -2.982 -2.565 1.468 1.00 0.00 C ATOM 71 O TYR A 4 -3.391 -2.084 2.506 1.00 0.00 O ATOM 72 CB TYR A 4 -4.002 -4.508 0.221 1.00 0.00 C ATOM 73 CG TYR A 4 -5.191 -3.573 0.221 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.784 -3.185 1.427 1.00 0.00 C ATOM 75 CD2 TYR A 4 -5.697 -3.097 -0.994 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.883 -2.318 1.417 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.795 -2.232 -1.005 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.389 -1.841 0.200 1.00 0.00 C ATOM 79 OH TYR A 4 -8.472 -0.987 0.191 1.00 0.00 O ATOM 0 H TYR A 4 -3.857 -4.332 3.146 1.00 0.00 H new ATOM 0 HA TYR A 4 -1.946 -4.292 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.564 -4.542 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.332 -5.519 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.395 -3.554 2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.239 -3.398 -1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.341 -2.017 2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.185 -1.866 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.035 -1.165 0.973 1.00 0.00 H new ATOM 89 N GLU A 5 -2.541 -1.834 0.504 1.00 0.00 N ATOM 90 CA GLU A 5 -2.518 -0.356 0.642 1.00 0.00 C ATOM 91 C GLU A 5 -3.571 0.291 -0.260 1.00 0.00 C ATOM 92 O GLU A 5 -3.761 -0.095 -1.396 1.00 0.00 O ATOM 93 CB GLU A 5 -1.110 0.047 0.211 1.00 0.00 C ATOM 94 CG GLU A 5 -0.844 -0.441 -1.216 1.00 0.00 C ATOM 95 CD GLU A 5 -0.093 -1.773 -1.172 1.00 0.00 C ATOM 96 OE1 GLU A 5 0.552 -2.033 -0.169 1.00 0.00 O ATOM 97 OE2 GLU A 5 -0.175 -2.509 -2.141 1.00 0.00 O ATOM 0 H GLU A 5 -2.191 -2.192 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.748 -0.031 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.001 1.130 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.375 -0.379 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.786 -0.561 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.259 0.300 -1.761 1.00 0.00 H new ATOM 104 N VAL A 6 -4.259 1.274 0.248 1.00 0.00 N ATOM 105 CA VAL A 6 -5.303 1.955 -0.571 1.00 0.00 C ATOM 106 C VAL A 6 -4.717 3.215 -1.213 1.00 0.00 C ATOM 107 O VAL A 6 -4.031 3.988 -0.573 1.00 0.00 O ATOM 108 CB VAL A 6 -6.410 2.317 0.419 1.00 0.00 C ATOM 109 CG1 VAL A 6 -5.826 3.154 1.558 1.00 0.00 C ATOM 110 CG2 VAL A 6 -7.494 3.122 -0.303 1.00 0.00 C ATOM 0 H VAL A 6 -4.145 1.636 1.195 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.676 1.327 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.844 1.405 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.617 3.411 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.054 2.581 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.391 4.067 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.285 3.381 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.059 4.034 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.912 2.525 -1.113 1.00 0.00 H new ATOM 120 N ASN A 7 -4.971 3.421 -2.475 1.00 0.00 N ATOM 121 CA ASN A 7 -4.415 4.624 -3.158 1.00 0.00 C ATOM 122 C ASN A 7 -5.458 5.747 -3.217 1.00 0.00 C ATOM 123 O ASN A 7 -6.301 5.780 -4.090 1.00 0.00 O ATOM 124 CB ASN A 7 -4.063 4.145 -4.568 1.00 0.00 C ATOM 125 CG ASN A 7 -2.897 3.158 -4.498 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.977 2.149 -3.824 1.00 0.00 O ATOM 127 ND2 ASN A 7 -1.808 3.406 -5.172 1.00 0.00 N ATOM 0 H ASN A 7 -5.538 2.810 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.552 5.031 -2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.929 3.669 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.796 4.995 -5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.025 2.754 -5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.740 4.252 -5.738 1.00 0.00 H new ATOM 134 N ILE A 8 -5.395 6.673 -2.299 1.00 0.00 N ATOM 135 CA ILE A 8 -6.369 7.805 -2.304 1.00 0.00 C ATOM 136 C ILE A 8 -5.608 9.132 -2.337 1.00 0.00 C ATOM 137 O ILE A 8 -4.890 9.466 -1.416 1.00 0.00 O ATOM 138 CB ILE A 8 -7.152 7.666 -0.998 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.750 6.259 -0.913 1.00 0.00 C ATOM 140 CG2 ILE A 8 -8.278 8.701 -0.964 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.644 6.158 0.324 1.00 0.00 C ATOM 0 H ILE A 8 -4.710 6.695 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.030 7.786 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.483 7.831 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.328 6.043 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.954 5.517 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.836 8.601 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.853 9.703 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.948 8.537 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.070 5.156 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.052 6.355 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.448 6.890 0.252 1.00 0.00 H new ATOM 153 N VAL A 9 -5.738 9.884 -3.397 1.00 0.00 N ATOM 154 CA VAL A 9 -4.995 11.172 -3.482 1.00 0.00 C ATOM 155 C VAL A 9 -5.944 12.369 -3.350 1.00 0.00 C ATOM 156 O VAL A 9 -6.927 12.485 -4.056 1.00 0.00 O ATOM 157 CB VAL A 9 -4.331 11.159 -4.862 1.00 0.00 C ATOM 158 CG1 VAL A 9 -3.784 9.762 -5.166 1.00 0.00 C ATOM 159 CG2 VAL A 9 -5.356 11.549 -5.931 1.00 0.00 C ATOM 0 H VAL A 9 -6.323 9.663 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.268 11.270 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.509 11.875 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.313 9.762 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.047 9.487 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.601 9.041 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.881 11.539 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.181 10.837 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.737 12.549 -5.723 1.00 0.00 H new ATOM 169 N LEU A 10 -5.634 13.268 -2.460 1.00 0.00 N ATOM 170 CA LEU A 10 -6.478 14.483 -2.273 1.00 0.00 C ATOM 171 C LEU A 10 -5.571 15.697 -2.070 1.00 0.00 C ATOM 172 O LEU A 10 -4.422 15.564 -1.698 1.00 0.00 O ATOM 173 CB LEU A 10 -7.326 14.233 -1.021 1.00 0.00 C ATOM 174 CG LEU A 10 -6.579 13.332 -0.034 1.00 0.00 C ATOM 175 CD1 LEU A 10 -5.303 14.035 0.433 1.00 0.00 C ATOM 176 CD2 LEU A 10 -7.477 13.049 1.174 1.00 0.00 C ATOM 0 H LEU A 10 -4.822 13.213 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.113 14.676 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.568 15.183 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.271 13.768 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.318 12.393 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.771 13.394 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.665 14.239 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.563 14.973 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.948 12.408 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.736 13.988 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.387 12.550 0.842 1.00 0.00 H new ATOM 188 N ASN A 11 -6.067 16.877 -2.311 1.00 0.00 N ATOM 189 CA ASN A 11 -5.212 18.085 -2.130 1.00 0.00 C ATOM 190 C ASN A 11 -5.977 19.366 -2.483 1.00 0.00 C ATOM 191 O ASN A 11 -6.055 20.276 -1.683 1.00 0.00 O ATOM 192 CB ASN A 11 -4.051 17.873 -3.090 1.00 0.00 C ATOM 193 CG ASN A 11 -2.770 17.612 -2.291 1.00 0.00 C ATOM 194 OD1 ASN A 11 -2.336 16.483 -2.167 1.00 0.00 O ATOM 195 ND2 ASN A 11 -2.144 18.614 -1.737 1.00 0.00 N ATOM 0 H ASN A 11 -7.021 17.059 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.887 18.205 -1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.259 17.030 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.925 18.750 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.292 18.449 -1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.507 19.562 -1.840 1.00 0.00 H new ATOM 202 N PRO A 12 -6.516 19.401 -3.675 1.00 0.00 N ATOM 203 CA PRO A 12 -7.275 20.589 -4.131 1.00 0.00 C ATOM 204 C PRO A 12 -8.675 20.604 -3.513 1.00 0.00 C ATOM 205 O PRO A 12 -9.665 20.817 -4.186 1.00 0.00 O ATOM 206 CB PRO A 12 -7.341 20.414 -5.644 1.00 0.00 C ATOM 207 CG PRO A 12 -7.197 18.943 -5.880 1.00 0.00 C ATOM 208 CD PRO A 12 -6.470 18.353 -4.696 1.00 0.00 C ATOM 0 HA PRO A 12 -6.812 21.531 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.286 20.785 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.546 20.971 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.176 18.478 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.643 18.756 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.953 17.440 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.443 18.093 -4.951 1.00 0.00 H new ATOM 216 N ASN A 13 -8.755 20.388 -2.234 1.00 0.00 N ATOM 217 CA ASN A 13 -10.075 20.393 -1.542 1.00 0.00 C ATOM 218 C ASN A 13 -9.907 20.938 -0.119 1.00 0.00 C ATOM 219 O ASN A 13 -10.614 21.832 0.302 1.00 0.00 O ATOM 220 CB ASN A 13 -10.514 18.930 -1.508 1.00 0.00 C ATOM 221 CG ASN A 13 -11.819 18.808 -0.721 1.00 0.00 C ATOM 222 OD1 ASN A 13 -11.894 18.073 0.244 1.00 0.00 O ATOM 223 ND2 ASN A 13 -12.858 19.503 -1.095 1.00 0.00 N ATOM 0 H ASN A 13 -7.954 20.206 -1.629 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.809 21.021 -2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.653 18.557 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.740 18.317 -1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.734 19.430 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.794 20.120 -1.905 1.00 0.00 H new ATOM 230 N LEU A 14 -8.975 20.400 0.622 1.00 0.00 N ATOM 231 CA LEU A 14 -8.758 20.880 2.017 1.00 0.00 C ATOM 232 C LEU A 14 -7.365 21.499 2.160 1.00 0.00 C ATOM 233 O LEU A 14 -6.475 21.241 1.373 1.00 0.00 O ATOM 234 CB LEU A 14 -8.872 19.620 2.878 1.00 0.00 C ATOM 235 CG LEU A 14 -10.297 19.467 3.433 1.00 0.00 C ATOM 236 CD1 LEU A 14 -11.327 20.031 2.447 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.579 17.981 3.658 1.00 0.00 C ATOM 0 H LEU A 14 -8.355 19.649 0.321 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.474 21.649 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.612 18.744 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.159 19.671 3.701 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.375 20.018 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.329 19.912 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.127 21.089 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.258 19.493 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.588 17.858 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.491 17.447 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.859 17.578 4.371 1.00 0.00 H new ATOM 249 N ASP A 15 -7.173 22.312 3.161 1.00 0.00 N ATOM 250 CA ASP A 15 -5.837 22.950 3.359 1.00 0.00 C ATOM 251 C ASP A 15 -4.909 22.008 4.138 1.00 0.00 C ATOM 252 O ASP A 15 -5.208 20.846 4.330 1.00 0.00 O ATOM 253 CB ASP A 15 -6.119 24.231 4.152 1.00 0.00 C ATOM 254 CG ASP A 15 -6.272 23.908 5.641 1.00 0.00 C ATOM 255 OD1 ASP A 15 -5.269 23.911 6.334 1.00 0.00 O ATOM 256 OD2 ASP A 15 -7.391 23.664 6.063 1.00 0.00 O ATOM 0 H ASP A 15 -7.881 22.563 3.851 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.336 23.167 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.306 24.943 4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.027 24.705 3.780 1.00 0.00 H new ATOM 261 N GLN A 16 -3.783 22.499 4.581 1.00 0.00 N ATOM 262 CA GLN A 16 -2.837 21.628 5.340 1.00 0.00 C ATOM 263 C GLN A 16 -3.446 21.212 6.680 1.00 0.00 C ATOM 264 O GLN A 16 -3.448 20.051 7.038 1.00 0.00 O ATOM 265 CB GLN A 16 -1.594 22.490 5.564 1.00 0.00 C ATOM 266 CG GLN A 16 -0.685 21.818 6.595 1.00 0.00 C ATOM 267 CD GLN A 16 0.764 22.252 6.361 1.00 0.00 C ATOM 268 OE1 GLN A 16 1.454 21.685 5.537 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.258 23.238 7.058 1.00 0.00 N ATOM 0 H GLN A 16 -3.477 23.463 4.451 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.607 20.709 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.058 22.625 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.884 23.482 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.998 22.089 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.768 20.734 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.679 23.714 7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.223 23.533 6.911 1.00 0.00 H new ATOM 278 N SER A 17 -3.964 22.149 7.427 1.00 0.00 N ATOM 279 CA SER A 17 -4.569 21.800 8.739 1.00 0.00 C ATOM 280 C SER A 17 -5.793 20.911 8.526 1.00 0.00 C ATOM 281 O SER A 17 -5.959 19.898 9.175 1.00 0.00 O ATOM 282 CB SER A 17 -4.974 23.136 9.358 1.00 0.00 C ATOM 283 OG SER A 17 -3.972 23.553 10.276 1.00 0.00 O ATOM 0 H SER A 17 -3.993 23.139 7.184 1.00 0.00 H new ATOM 0 HA SER A 17 -3.882 21.250 9.382 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.104 23.886 8.578 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.932 23.038 9.868 1.00 0.00 H new ATOM 0 HG SER A 17 -4.229 24.411 10.673 1.00 0.00 H new ATOM 289 N GLN A 18 -6.645 21.278 7.610 1.00 0.00 N ATOM 290 CA GLN A 18 -7.852 20.449 7.343 1.00 0.00 C ATOM 291 C GLN A 18 -7.429 19.105 6.750 1.00 0.00 C ATOM 292 O GLN A 18 -8.000 18.075 7.044 1.00 0.00 O ATOM 293 CB GLN A 18 -8.672 21.255 6.333 1.00 0.00 C ATOM 294 CG GLN A 18 -9.451 22.351 7.063 1.00 0.00 C ATOM 295 CD GLN A 18 -10.750 21.769 7.622 1.00 0.00 C ATOM 296 OE1 GLN A 18 -10.866 21.587 8.909 1.00 0.00 O flip ATOM 297 NE2 GLN A 18 -11.667 21.475 6.881 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.557 22.116 7.035 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.425 20.237 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.014 21.699 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.360 20.598 5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.848 22.764 7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.672 23.171 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.576 21.618 5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.528 21.086 7.265 1.00 0.00 H new ATOM 306 N LEU A 19 -6.424 19.110 5.917 1.00 0.00 N ATOM 307 CA LEU A 19 -5.955 17.835 5.305 1.00 0.00 C ATOM 308 C LEU A 19 -5.486 16.869 6.398 1.00 0.00 C ATOM 309 O LEU A 19 -5.684 15.676 6.310 1.00 0.00 O ATOM 310 CB LEU A 19 -4.788 18.240 4.398 1.00 0.00 C ATOM 311 CG LEU A 19 -3.926 17.015 4.079 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.700 16.070 3.161 1.00 0.00 C ATOM 313 CD2 LEU A 19 -2.643 17.465 3.378 1.00 0.00 C ATOM 0 H LEU A 19 -5.907 19.943 5.634 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.741 17.324 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.168 18.678 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.183 19.003 4.888 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.675 16.497 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.086 15.199 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.616 15.749 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.951 16.587 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.028 16.594 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.896 17.982 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.089 18.139 4.031 1.00 0.00 H new ATOM 325 N ALA A 20 -4.856 17.376 7.423 1.00 0.00 N ATOM 326 CA ALA A 20 -4.368 16.488 8.509 1.00 0.00 C ATOM 327 C ALA A 20 -5.544 15.840 9.247 1.00 0.00 C ATOM 328 O ALA A 20 -5.523 14.666 9.559 1.00 0.00 O ATOM 329 CB ALA A 20 -3.588 17.409 9.449 1.00 0.00 C ATOM 0 H ALA A 20 -4.659 18.368 7.553 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.753 15.673 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.192 16.828 10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.764 17.871 8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.251 18.185 9.831 1.00 0.00 H new ATOM 335 N LEU A 21 -6.563 16.600 9.538 1.00 0.00 N ATOM 336 CA LEU A 21 -7.732 16.039 10.266 1.00 0.00 C ATOM 337 C LEU A 21 -8.402 14.924 9.451 1.00 0.00 C ATOM 338 O LEU A 21 -8.938 13.981 9.998 1.00 0.00 O ATOM 339 CB LEU A 21 -8.678 17.234 10.468 1.00 0.00 C ATOM 340 CG LEU A 21 -9.692 17.321 9.322 1.00 0.00 C ATOM 341 CD1 LEU A 21 -10.852 16.361 9.593 1.00 0.00 C ATOM 342 CD2 LEU A 21 -10.225 18.752 9.217 1.00 0.00 C ATOM 0 H LEU A 21 -6.635 17.590 9.301 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.449 15.582 11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.203 17.132 11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.100 18.157 10.520 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.206 17.047 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.573 16.423 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.472 15.342 9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.339 16.633 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.946 18.813 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.711 19.029 10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.398 19.435 9.022 1.00 0.00 H new ATOM 354 N GLU A 22 -8.388 15.030 8.150 1.00 0.00 N ATOM 355 CA GLU A 22 -9.039 13.980 7.315 1.00 0.00 C ATOM 356 C GLU A 22 -8.435 12.606 7.624 1.00 0.00 C ATOM 357 O GLU A 22 -9.095 11.590 7.524 1.00 0.00 O ATOM 358 CB GLU A 22 -8.766 14.394 5.863 1.00 0.00 C ATOM 359 CG GLU A 22 -7.378 13.912 5.428 1.00 0.00 C ATOM 360 CD GLU A 22 -7.494 12.519 4.807 1.00 0.00 C ATOM 361 OE1 GLU A 22 -8.268 12.370 3.874 1.00 0.00 O ATOM 362 OE2 GLU A 22 -6.809 11.625 5.273 1.00 0.00 O ATOM 0 H GLU A 22 -7.956 15.794 7.631 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.108 13.898 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.528 13.972 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.829 15.478 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.949 14.608 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.705 13.885 6.285 1.00 0.00 H new ATOM 369 N LYS A 23 -7.187 12.567 8.007 1.00 0.00 N ATOM 370 CA LYS A 23 -6.553 11.257 8.330 1.00 0.00 C ATOM 371 C LYS A 23 -7.263 10.621 9.525 1.00 0.00 C ATOM 372 O LYS A 23 -7.410 9.417 9.607 1.00 0.00 O ATOM 373 CB LYS A 23 -5.104 11.593 8.684 1.00 0.00 C ATOM 374 CG LYS A 23 -4.213 11.364 7.462 1.00 0.00 C ATOM 375 CD LYS A 23 -3.564 12.685 7.044 1.00 0.00 C ATOM 376 CE LYS A 23 -2.550 12.426 5.927 1.00 0.00 C ATOM 377 NZ LYS A 23 -3.057 13.198 4.760 1.00 0.00 N ATOM 0 H LYS A 23 -6.582 13.382 8.110 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.613 10.549 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.030 12.630 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.768 10.971 9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.444 10.627 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.804 10.961 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.327 13.385 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.069 13.146 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.552 12.756 6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.480 11.363 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.413 13.070 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.006 12.857 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.107 14.207 5.006 1.00 0.00 H new ATOM 391 N GLU A 24 -7.711 11.425 10.449 1.00 0.00 N ATOM 392 CA GLU A 24 -8.420 10.879 11.641 1.00 0.00 C ATOM 393 C GLU A 24 -9.837 10.444 11.257 1.00 0.00 C ATOM 394 O GLU A 24 -10.351 9.460 11.752 1.00 0.00 O ATOM 395 CB GLU A 24 -8.467 12.039 12.637 1.00 0.00 C ATOM 396 CG GLU A 24 -9.054 11.548 13.961 1.00 0.00 C ATOM 397 CD GLU A 24 -7.962 11.538 15.032 1.00 0.00 C ATOM 398 OE1 GLU A 24 -6.799 11.504 14.665 1.00 0.00 O ATOM 399 OE2 GLU A 24 -8.308 11.563 16.202 1.00 0.00 O ATOM 0 H GLU A 24 -7.616 12.440 10.430 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.920 10.004 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.465 12.437 12.796 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.073 12.852 12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.875 12.196 14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.467 10.547 13.839 1.00 0.00 H new ATOM 406 N ILE A 25 -10.473 11.170 10.379 1.00 0.00 N ATOM 407 CA ILE A 25 -11.856 10.803 9.965 1.00 0.00 C ATOM 408 C ILE A 25 -11.836 9.557 9.077 1.00 0.00 C ATOM 409 O ILE A 25 -12.587 8.625 9.285 1.00 0.00 O ATOM 410 CB ILE A 25 -12.360 12.015 9.182 1.00 0.00 C ATOM 411 CG1 ILE A 25 -12.703 13.140 10.160 1.00 0.00 C ATOM 412 CG2 ILE A 25 -13.605 11.631 8.385 1.00 0.00 C ATOM 413 CD1 ILE A 25 -13.862 12.703 11.060 1.00 0.00 C ATOM 0 H ILE A 25 -10.093 12.003 9.930 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.495 10.568 10.816 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.585 12.352 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.831 13.387 10.766 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.975 14.042 9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.962 12.497 7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.359 10.829 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.384 11.293 9.068 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.105 13.506 11.756 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.734 12.478 10.446 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.573 11.813 11.619 1.00 0.00 H new ATOM 425 N ILE A 26 -10.983 9.530 8.092 1.00 0.00 N ATOM 426 CA ILE A 26 -10.921 8.338 7.200 1.00 0.00 C ATOM 427 C ILE A 26 -10.489 7.108 8.003 1.00 0.00 C ATOM 428 O ILE A 26 -10.963 6.012 7.782 1.00 0.00 O ATOM 429 CB ILE A 26 -9.876 8.689 6.139 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.010 7.725 4.958 1.00 0.00 C ATOM 431 CG2 ILE A 26 -8.472 8.570 6.737 1.00 0.00 C ATOM 432 CD1 ILE A 26 -10.798 8.402 3.835 1.00 0.00 C ATOM 0 H ILE A 26 -10.328 10.279 7.866 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.886 8.102 6.751 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.036 9.712 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.023 7.433 4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.517 6.813 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.731 8.821 5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.376 9.256 7.579 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.308 7.549 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.894 7.716 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.790 8.672 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.273 9.301 3.512 1.00 0.00 H new ATOM 444 N GLN A 27 -9.593 7.283 8.934 1.00 0.00 N ATOM 445 CA GLN A 27 -9.130 6.129 9.754 1.00 0.00 C ATOM 446 C GLN A 27 -10.316 5.485 10.478 1.00 0.00 C ATOM 447 O GLN A 27 -10.382 4.282 10.637 1.00 0.00 O ATOM 448 CB GLN A 27 -8.154 6.730 10.767 1.00 0.00 C ATOM 449 CG GLN A 27 -6.722 6.601 10.243 1.00 0.00 C ATOM 450 CD GLN A 27 -5.775 7.421 11.124 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.158 7.787 12.318 1.00 0.00 O flip ATOM 452 NE2 GLN A 27 -4.670 7.730 10.722 1.00 0.00 N flip ATOM 0 H GLN A 27 -9.160 8.178 9.163 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.665 5.352 9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.395 7.779 10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.248 6.219 11.725 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.418 5.554 10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.669 6.950 9.212 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.368 7.446 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.045 8.274 11.317 1.00 0.00 H new ATOM 461 N ARG A 28 -11.244 6.281 10.931 1.00 0.00 N ATOM 462 CA ARG A 28 -12.418 5.722 11.661 1.00 0.00 C ATOM 463 C ARG A 28 -13.322 4.918 10.719 1.00 0.00 C ATOM 464 O ARG A 28 -13.905 3.927 11.103 1.00 0.00 O ATOM 465 CB ARG A 28 -13.161 6.946 12.200 1.00 0.00 C ATOM 466 CG ARG A 28 -12.470 7.446 13.471 1.00 0.00 C ATOM 467 CD ARG A 28 -13.527 7.821 14.514 1.00 0.00 C ATOM 468 NE ARG A 28 -13.293 9.264 14.799 1.00 0.00 N ATOM 469 CZ ARG A 28 -14.306 10.078 14.912 1.00 0.00 C ATOM 470 NH1 ARG A 28 -15.289 10.018 14.056 1.00 0.00 N ATOM 471 NH2 ARG A 28 -14.338 10.950 15.882 1.00 0.00 N ATOM 0 H ARG A 28 -11.241 7.296 10.828 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.115 5.037 12.453 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.177 7.735 11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.198 6.689 12.415 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.811 6.673 13.867 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.847 8.310 13.243 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.534 7.652 14.133 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.422 7.219 15.416 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.341 9.615 14.906 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.265 9.335 13.299 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.081 10.654 14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.571 10.995 16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.130 11.586 15.970 1.00 0.00 H new ATOM 485 N ALA A 29 -13.470 5.348 9.498 1.00 0.00 N ATOM 486 CA ALA A 29 -14.358 4.613 8.558 1.00 0.00 C ATOM 487 C ALA A 29 -13.738 3.293 8.094 1.00 0.00 C ATOM 488 O ALA A 29 -14.439 2.327 7.870 1.00 0.00 O ATOM 489 CB ALA A 29 -14.569 5.559 7.377 1.00 0.00 C ATOM 0 H ALA A 29 -13.015 6.175 9.111 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.297 4.341 9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.216 5.083 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.034 6.480 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.607 5.790 6.919 1.00 0.00 H new ATOM 495 N LEU A 30 -12.445 3.225 7.945 1.00 0.00 N ATOM 496 CA LEU A 30 -11.848 1.932 7.494 1.00 0.00 C ATOM 497 C LEU A 30 -12.331 0.853 8.440 1.00 0.00 C ATOM 498 O LEU A 30 -12.849 -0.174 8.047 1.00 0.00 O ATOM 499 CB LEU A 30 -10.321 2.089 7.603 1.00 0.00 C ATOM 500 CG LEU A 30 -9.884 3.488 7.152 1.00 0.00 C ATOM 501 CD1 LEU A 30 -8.433 3.437 6.671 1.00 0.00 C ATOM 502 CD2 LEU A 30 -10.782 3.959 6.011 1.00 0.00 C ATOM 0 H LEU A 30 -11.787 3.987 8.110 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.128 1.671 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.006 1.919 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.829 1.334 6.990 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.966 4.182 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.121 4.431 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.791 3.101 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.351 2.743 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.471 4.953 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.700 3.266 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.816 3.995 6.353 1.00 0.00 H new ATOM 514 N GLU A 31 -12.179 1.112 9.697 1.00 0.00 N ATOM 515 CA GLU A 31 -12.637 0.151 10.725 1.00 0.00 C ATOM 516 C GLU A 31 -14.162 0.108 10.752 1.00 0.00 C ATOM 517 O GLU A 31 -14.767 -0.923 10.966 1.00 0.00 O ATOM 518 CB GLU A 31 -12.095 0.689 12.043 1.00 0.00 C ATOM 519 CG GLU A 31 -12.652 2.082 12.322 1.00 0.00 C ATOM 520 CD GLU A 31 -12.244 2.516 13.731 1.00 0.00 C ATOM 521 OE1 GLU A 31 -11.233 2.028 14.209 1.00 0.00 O ATOM 522 OE2 GLU A 31 -12.949 3.328 14.309 1.00 0.00 O ATOM 0 H GLU A 31 -11.750 1.962 10.064 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.289 -0.863 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.364 0.014 12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.006 0.727 12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.273 2.792 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.738 2.077 12.231 1.00 0.00 H new ATOM 529 N ASN A 32 -14.779 1.233 10.541 1.00 0.00 N ATOM 530 CA ASN A 32 -16.261 1.290 10.558 1.00 0.00 C ATOM 531 C ASN A 32 -16.829 0.319 9.528 1.00 0.00 C ATOM 532 O ASN A 32 -17.854 -0.300 9.736 1.00 0.00 O ATOM 533 CB ASN A 32 -16.594 2.731 10.183 1.00 0.00 C ATOM 534 CG ASN A 32 -17.971 3.103 10.735 1.00 0.00 C ATOM 535 OD1 ASN A 32 -18.919 3.250 9.989 1.00 0.00 O ATOM 536 ND2 ASN A 32 -18.121 3.266 12.021 1.00 0.00 N ATOM 0 H ASN A 32 -14.315 2.122 10.356 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.684 1.011 11.523 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.837 3.405 10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.583 2.847 9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.034 3.517 12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.325 3.143 12.647 1.00 0.00 H new ATOM 543 N TYR A 33 -16.166 0.183 8.416 1.00 0.00 N ATOM 544 CA TYR A 33 -16.644 -0.736 7.371 1.00 0.00 C ATOM 545 C TYR A 33 -16.444 -2.186 7.834 1.00 0.00 C ATOM 546 O TYR A 33 -17.247 -3.055 7.557 1.00 0.00 O ATOM 547 CB TYR A 33 -15.771 -0.375 6.163 1.00 0.00 C ATOM 548 CG TYR A 33 -15.305 -1.616 5.446 1.00 0.00 C ATOM 549 CD1 TYR A 33 -16.198 -2.361 4.670 1.00 0.00 C ATOM 550 CD2 TYR A 33 -13.976 -2.021 5.570 1.00 0.00 C ATOM 551 CE1 TYR A 33 -15.757 -3.514 4.015 1.00 0.00 C ATOM 552 CE2 TYR A 33 -13.533 -3.172 4.919 1.00 0.00 C ATOM 553 CZ TYR A 33 -14.422 -3.921 4.139 1.00 0.00 C ATOM 554 OH TYR A 33 -13.985 -5.060 3.492 1.00 0.00 O ATOM 0 H TYR A 33 -15.304 0.679 8.192 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.705 -0.648 7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.336 0.256 5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -14.909 0.205 6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.227 -2.046 4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.290 -1.443 6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -16.444 -4.091 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.504 -3.486 5.017 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.334 -4.815 2.802 1.00 0.00 H new ATOM 564 N GLY A 34 -15.376 -2.446 8.540 1.00 0.00 N ATOM 565 CA GLY A 34 -15.123 -3.823 9.022 1.00 0.00 C ATOM 566 C GLY A 34 -13.617 -4.093 9.077 1.00 0.00 C ATOM 567 O GLY A 34 -13.158 -4.935 9.825 1.00 0.00 O ATOM 0 H GLY A 34 -14.670 -1.758 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.561 -3.956 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.605 -4.543 8.360 1.00 0.00 H new ATOM 571 N ALA A 35 -12.842 -3.394 8.294 1.00 0.00 N ATOM 572 CA ALA A 35 -11.368 -3.629 8.313 1.00 0.00 C ATOM 573 C ALA A 35 -10.655 -2.517 9.087 1.00 0.00 C ATOM 574 O ALA A 35 -10.891 -1.344 8.869 1.00 0.00 O ATOM 575 CB ALA A 35 -10.947 -3.613 6.845 1.00 0.00 C ATOM 0 H ALA A 35 -13.162 -2.675 7.645 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.110 -4.567 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.872 -3.779 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.473 -4.401 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.195 -2.647 6.406 1.00 0.00 H new ATOM 581 N ARG A 36 -9.793 -2.879 9.997 1.00 0.00 N ATOM 582 CA ARG A 36 -9.068 -1.861 10.797 1.00 0.00 C ATOM 583 C ARG A 36 -7.704 -1.543 10.199 1.00 0.00 C ATOM 584 O ARG A 36 -6.984 -2.406 9.739 1.00 0.00 O ATOM 585 CB ARG A 36 -8.914 -2.487 12.169 1.00 0.00 C ATOM 586 CG ARG A 36 -7.816 -1.771 12.961 1.00 0.00 C ATOM 587 CD ARG A 36 -8.197 -1.730 14.443 1.00 0.00 C ATOM 588 NE ARG A 36 -7.293 -0.710 15.044 1.00 0.00 N ATOM 589 CZ ARG A 36 -7.584 -0.180 16.202 1.00 0.00 C ATOM 590 NH1 ARG A 36 -7.369 -0.851 17.300 1.00 0.00 N ATOM 591 NH2 ARG A 36 -8.089 1.022 16.262 1.00 0.00 N ATOM 0 H ARG A 36 -9.560 -3.847 10.220 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.609 -0.915 10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.858 -2.429 12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.668 -3.544 12.068 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.865 -2.288 12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.681 -0.758 12.581 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.244 -1.456 14.574 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.061 -2.704 14.913 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.447 -0.425 14.551 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.973 -1.790 17.255 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.596 -0.437 18.204 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.257 1.548 15.404 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.316 1.435 17.166 1.00 0.00 H new ATOM 605 N VAL A 37 -7.355 -0.298 10.229 1.00 0.00 N ATOM 606 CA VAL A 37 -6.033 0.132 9.688 1.00 0.00 C ATOM 607 C VAL A 37 -4.993 0.104 10.810 1.00 0.00 C ATOM 608 O VAL A 37 -5.148 0.751 11.826 1.00 0.00 O ATOM 609 CB VAL A 37 -6.252 1.559 9.184 1.00 0.00 C ATOM 610 CG1 VAL A 37 -6.340 2.520 10.372 1.00 0.00 C ATOM 611 CG2 VAL A 37 -5.082 1.966 8.286 1.00 0.00 C ATOM 0 H VAL A 37 -7.930 0.455 10.608 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.670 -0.519 8.892 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.182 1.602 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.496 3.535 10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.174 2.232 11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.413 2.478 10.943 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.236 2.983 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.153 1.920 8.855 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.021 1.286 7.437 1.00 0.00 H new ATOM 621 N GLU A 38 -3.941 -0.650 10.648 1.00 0.00 N ATOM 622 CA GLU A 38 -2.915 -0.716 11.729 1.00 0.00 C ATOM 623 C GLU A 38 -1.535 -0.302 11.212 1.00 0.00 C ATOM 624 O GLU A 38 -0.534 -0.512 11.869 1.00 0.00 O ATOM 625 CB GLU A 38 -2.903 -2.179 12.172 1.00 0.00 C ATOM 626 CG GLU A 38 -3.519 -2.291 13.568 1.00 0.00 C ATOM 627 CD GLU A 38 -3.004 -3.558 14.252 1.00 0.00 C ATOM 628 OE1 GLU A 38 -2.182 -4.236 13.657 1.00 0.00 O ATOM 629 OE2 GLU A 38 -3.439 -3.829 15.359 1.00 0.00 O ATOM 0 H GLU A 38 -3.747 -1.218 9.823 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.150 -0.035 12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.464 -2.789 11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.882 -2.560 12.181 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.262 -1.414 14.162 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.606 -2.320 13.496 1.00 0.00 H new ATOM 636 N LYS A 39 -1.462 0.287 10.051 1.00 0.00 N ATOM 637 CA LYS A 39 -0.130 0.708 9.527 1.00 0.00 C ATOM 638 C LYS A 39 -0.202 2.122 8.945 1.00 0.00 C ATOM 639 O LYS A 39 -1.135 2.473 8.252 1.00 0.00 O ATOM 640 CB LYS A 39 0.211 -0.306 8.435 1.00 0.00 C ATOM 641 CG LYS A 39 1.557 -0.961 8.753 1.00 0.00 C ATOM 642 CD LYS A 39 1.469 -1.682 10.099 1.00 0.00 C ATOM 643 CE LYS A 39 2.182 -3.034 10.004 1.00 0.00 C ATOM 644 NZ LYS A 39 3.353 -2.920 10.918 1.00 0.00 N ATOM 0 H LYS A 39 -2.257 0.494 9.447 1.00 0.00 H new ATOM 0 HA LYS A 39 0.626 0.731 10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.569 -1.065 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.255 0.189 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.824 -1.667 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.343 -0.206 8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.925 -1.073 10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.425 -1.828 10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.524 -3.849 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.498 -3.242 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.891 -3.810 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.965 -2.141 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.021 -2.729 11.885 1.00 0.00 H new ATOM 658 N VAL A 40 0.784 2.933 9.221 1.00 0.00 N ATOM 659 CA VAL A 40 0.782 4.322 8.683 1.00 0.00 C ATOM 660 C VAL A 40 2.150 4.652 8.085 1.00 0.00 C ATOM 661 O VAL A 40 3.145 4.706 8.782 1.00 0.00 O ATOM 662 CB VAL A 40 0.492 5.217 9.888 1.00 0.00 C ATOM 663 CG1 VAL A 40 1.464 4.880 11.019 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.670 6.684 9.489 1.00 0.00 C ATOM 0 H VAL A 40 1.591 2.692 9.796 1.00 0.00 H new ATOM 0 HA VAL A 40 0.045 4.459 7.892 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.532 5.051 10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.258 5.518 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.341 3.835 11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.487 5.046 10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.463 7.322 10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.694 6.848 9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.020 6.928 8.681 1.00 0.00 H new ATOM 674 N GLU A 41 2.213 4.866 6.800 1.00 0.00 N ATOM 675 CA GLU A 41 3.523 5.186 6.161 1.00 0.00 C ATOM 676 C GLU A 41 3.591 6.672 5.799 1.00 0.00 C ATOM 677 O GLU A 41 2.646 7.243 5.294 1.00 0.00 O ATOM 678 CB GLU A 41 3.566 4.327 4.897 1.00 0.00 C ATOM 679 CG GLU A 41 4.995 4.298 4.352 1.00 0.00 C ATOM 680 CD GLU A 41 5.645 2.959 4.699 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.719 2.647 5.877 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.058 2.267 3.783 1.00 0.00 O ATOM 0 H GLU A 41 1.416 4.834 6.164 1.00 0.00 H new ATOM 0 HA GLU A 41 4.364 4.983 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.229 3.315 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.887 4.731 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.987 4.441 3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.575 5.117 4.778 1.00 0.00 H new ATOM 689 N GLU A 42 4.705 7.300 6.054 1.00 0.00 N ATOM 690 CA GLU A 42 4.833 8.747 5.723 1.00 0.00 C ATOM 691 C GLU A 42 5.469 8.917 4.342 1.00 0.00 C ATOM 692 O GLU A 42 6.565 8.457 4.091 1.00 0.00 O ATOM 693 CB GLU A 42 5.740 9.323 6.811 1.00 0.00 C ATOM 694 CG GLU A 42 7.101 8.628 6.763 1.00 0.00 C ATOM 695 CD GLU A 42 8.157 9.608 6.246 1.00 0.00 C ATOM 696 OE1 GLU A 42 8.348 9.660 5.043 1.00 0.00 O ATOM 697 OE2 GLU A 42 8.754 10.289 7.063 1.00 0.00 O ATOM 0 H GLU A 42 5.531 6.875 6.476 1.00 0.00 H new ATOM 0 HA GLU A 42 3.868 9.253 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.863 10.396 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.283 9.184 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.375 8.272 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.052 7.754 6.114 1.00 0.00 H new ATOM 704 N LEU A 43 4.789 9.573 3.441 1.00 0.00 N ATOM 705 CA LEU A 43 5.354 9.768 2.075 1.00 0.00 C ATOM 706 C LEU A 43 6.183 11.054 2.022 1.00 0.00 C ATOM 707 O LEU A 43 7.397 11.019 2.000 1.00 0.00 O ATOM 708 CB LEU A 43 4.138 9.879 1.157 1.00 0.00 C ATOM 709 CG LEU A 43 3.792 8.499 0.599 1.00 0.00 C ATOM 710 CD1 LEU A 43 4.967 7.970 -0.227 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.513 7.537 1.757 1.00 0.00 C ATOM 0 H LEU A 43 3.867 9.982 3.592 1.00 0.00 H new ATOM 0 HA LEU A 43 6.015 8.952 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.289 10.283 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.347 10.571 0.341 1.00 0.00 H new ATOM 0 HG LEU A 43 2.908 8.576 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.719 6.986 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.169 8.654 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.851 7.893 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.266 6.552 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.398 7.462 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.676 7.911 2.347 1.00 0.00 H new ATOM 723 N GLY A 44 5.537 12.186 2.002 1.00 0.00 N ATOM 724 CA GLY A 44 6.286 13.474 1.950 1.00 0.00 C ATOM 725 C GLY A 44 6.175 14.075 0.547 1.00 0.00 C ATOM 726 O GLY A 44 7.162 14.423 -0.070 1.00 0.00 O ATOM 0 H GLY A 44 4.521 12.276 2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.885 14.170 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.333 13.308 2.204 1.00 0.00 H new ATOM 955 N GLY A 58 0.312 16.345 -4.915 1.00 0.00 N ATOM 956 CA GLY A 58 -0.739 15.441 -4.368 1.00 0.00 C ATOM 957 C GLY A 58 -0.184 14.675 -3.165 1.00 0.00 C ATOM 958 O GLY A 58 1.005 14.673 -2.911 1.00 0.00 O ATOM 0 HA2 GLY A 58 -1.613 16.021 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.067 14.742 -5.137 1.00 0.00 H new ATOM 962 N TYR A 59 -1.035 14.023 -2.421 1.00 0.00 N ATOM 963 CA TYR A 59 -0.553 13.255 -1.237 1.00 0.00 C ATOM 964 C TYR A 59 -1.021 11.800 -1.323 1.00 0.00 C ATOM 965 O TYR A 59 -2.167 11.523 -1.619 1.00 0.00 O ATOM 966 CB TYR A 59 -1.178 13.952 -0.029 1.00 0.00 C ATOM 967 CG TYR A 59 -0.299 13.745 1.181 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.044 12.449 1.585 1.00 0.00 C ATOM 969 CD2 TYR A 59 0.172 14.849 1.900 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.859 12.259 2.707 1.00 0.00 C ATOM 971 CE2 TYR A 59 0.987 14.658 3.022 1.00 0.00 C ATOM 972 CZ TYR A 59 1.330 13.364 3.425 1.00 0.00 C ATOM 973 OH TYR A 59 2.132 13.177 4.532 1.00 0.00 O ATOM 0 H TYR A 59 -2.042 13.989 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 59 0.535 13.233 -1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.294 15.017 -0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.175 13.553 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.320 11.596 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.093 15.849 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.124 11.260 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.351 15.510 3.576 1.00 0.00 H new ATOM 0 HH TYR A 59 2.372 14.047 4.913 1.00 0.00 H new ATOM 983 N PHE A 60 -0.143 10.869 -1.069 1.00 0.00 N ATOM 984 CA PHE A 60 -0.536 9.431 -1.138 1.00 0.00 C ATOM 985 C PHE A 60 -0.385 8.778 0.242 1.00 0.00 C ATOM 986 O PHE A 60 0.589 8.988 0.935 1.00 0.00 O ATOM 987 CB PHE A 60 0.434 8.815 -2.153 1.00 0.00 C ATOM 988 CG PHE A 60 0.538 7.324 -1.937 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.609 6.576 -1.644 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.781 6.689 -2.031 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.511 5.194 -1.442 1.00 0.00 C ATOM 992 CE2 PHE A 60 1.880 5.308 -1.831 1.00 0.00 C ATOM 993 CZ PHE A 60 0.734 4.560 -1.537 1.00 0.00 C ATOM 0 H PHE A 60 0.830 11.041 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.575 9.289 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.089 9.020 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.418 9.274 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.569 7.065 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.665 7.266 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.395 4.617 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.840 4.819 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.810 3.494 -1.383 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.347 7.988 0.645 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.260 7.325 1.980 1.00 0.00 C ATOM 1005 C LEU A 61 -1.223 5.800 1.820 1.00 0.00 C ATOM 1006 O LEU A 61 -2.067 5.210 1.174 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.526 7.761 2.720 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.758 7.269 1.959 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.427 6.137 2.742 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -4.745 8.426 1.790 1.00 0.00 C ATOM 0 H LEU A 61 -2.187 7.774 0.108 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.355 7.603 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.526 7.357 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.551 8.847 2.810 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.456 6.900 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.305 5.788 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.724 5.313 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.730 6.503 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.624 8.078 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.046 8.794 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.269 9.231 1.231 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.244 5.162 2.402 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.135 3.675 2.290 1.00 0.00 C ATOM 1024 C TRP A 62 -0.445 3.023 3.641 1.00 0.00 C ATOM 1025 O TRP A 62 0.258 3.230 4.610 1.00 0.00 O ATOM 1026 CB TRP A 62 1.324 3.436 1.896 1.00 0.00 C ATOM 1027 CG TRP A 62 1.559 1.984 1.630 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.403 1.380 0.431 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.000 0.948 2.556 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.720 0.040 0.561 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.092 -0.274 1.851 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.326 0.952 3.925 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.492 -1.454 2.482 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.728 -0.233 4.562 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.811 -1.434 3.842 1.00 0.00 C ATOM 0 H TRP A 62 0.490 5.607 2.953 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.834 3.250 1.570 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.568 4.019 1.008 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.984 3.778 2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.083 1.864 -0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.683 -0.634 -0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.267 1.871 4.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.554 -2.376 1.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 2.975 -0.220 5.613 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.121 -2.342 4.338 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.492 2.242 3.721 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.834 1.600 5.014 1.00 0.00 C ATOM 1048 C TYR A 63 -2.142 0.116 4.808 1.00 0.00 C ATOM 1049 O TYR A 63 -2.803 -0.264 3.863 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.088 2.334 5.479 1.00 0.00 C ATOM 1051 CG TYR A 63 -2.782 3.800 5.677 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -1.537 4.197 6.176 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.749 4.761 5.362 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -1.259 5.558 6.359 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.471 6.120 5.546 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.226 6.518 6.045 1.00 0.00 C ATOM 1057 OH TYR A 63 -1.951 7.858 6.226 1.00 0.00 O ATOM 0 H TYR A 63 -2.119 2.025 2.947 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.019 1.658 5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.883 2.216 4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.449 1.900 6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.791 3.455 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.710 4.454 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.298 5.866 6.743 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.217 6.862 5.303 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.729 8.391 5.958 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.689 -0.725 5.696 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.985 -2.178 5.553 1.00 0.00 C ATOM 1069 C GLN A 64 -3.241 -2.498 6.360 1.00 0.00 C ATOM 1070 O GLN A 64 -3.382 -2.080 7.493 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.765 -2.899 6.128 1.00 0.00 C ATOM 1072 CG GLN A 64 0.410 -2.764 5.158 1.00 0.00 C ATOM 1073 CD GLN A 64 1.095 -4.121 4.993 1.00 0.00 C ATOM 1074 OE1 GLN A 64 1.335 -4.815 5.961 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.426 -4.532 3.800 1.00 0.00 N ATOM 0 H GLN A 64 -1.130 -0.471 6.510 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.164 -2.481 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.501 -2.475 7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.995 -3.952 6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.058 -2.403 4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.122 -2.029 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.225 -3.951 2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.886 -5.435 3.681 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.180 -3.191 5.780 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.437 -3.473 6.516 1.00 0.00 C ATOM 1086 C VAL A 65 -5.896 -4.919 6.319 1.00 0.00 C ATOM 1087 O VAL A 65 -5.473 -5.600 5.409 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.420 -2.498 5.887 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.799 -1.106 5.882 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.694 -2.899 4.439 1.00 0.00 C ATOM 0 H VAL A 65 -4.130 -3.571 4.835 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.334 -3.355 7.595 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.348 -2.508 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.496 -0.398 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.581 -0.801 6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.875 -1.122 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.399 -2.197 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.762 -2.884 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.117 -3.903 4.413 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.770 -5.387 7.167 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.267 -6.787 7.032 1.00 0.00 C ATOM 1102 C GLU A 66 -8.708 -6.792 6.518 1.00 0.00 C ATOM 1103 O GLU A 66 -9.653 -6.817 7.281 1.00 0.00 O ATOM 1104 CB GLU A 66 -7.197 -7.377 8.441 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.469 -8.881 8.372 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.055 -9.360 9.701 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -8.017 -8.598 10.652 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -8.531 -10.484 9.745 1.00 0.00 O ATOM 0 H GLU A 66 -7.162 -4.861 7.948 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.675 -7.364 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.215 -7.193 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.929 -6.893 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.161 -9.098 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.545 -9.418 8.156 1.00 0.00 H new ATOM 1115 N MET A 67 -8.880 -6.769 5.227 1.00 0.00 N ATOM 1116 CA MET A 67 -10.256 -6.773 4.652 1.00 0.00 C ATOM 1117 C MET A 67 -10.328 -7.760 3.484 1.00 0.00 C ATOM 1118 O MET A 67 -9.324 -8.073 2.875 1.00 0.00 O ATOM 1119 CB MET A 67 -10.484 -5.340 4.165 1.00 0.00 C ATOM 1120 CG MET A 67 -9.716 -5.108 2.861 1.00 0.00 C ATOM 1121 SD MET A 67 -9.722 -3.344 2.459 1.00 0.00 S ATOM 1122 CE MET A 67 -10.547 -3.479 0.853 1.00 0.00 C ATOM 0 H MET A 67 -8.125 -6.748 4.541 1.00 0.00 H new ATOM 0 HA MET A 67 -11.012 -7.079 5.375 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.548 -5.165 4.007 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.153 -4.631 4.924 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.691 -5.465 2.962 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.173 -5.677 2.052 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.577 -2.499 0.376 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.997 -4.174 0.219 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.564 -3.845 0.996 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.517 -8.216 3.206 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.716 -9.174 2.093 1.00 0.00 C ATOM 1134 C PRO A 68 -11.484 -8.473 0.752 1.00 0.00 C ATOM 1135 O PRO A 68 -11.775 -7.305 0.591 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.168 -9.618 2.253 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.829 -8.504 2.999 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.775 -7.886 3.883 1.00 0.00 C ATOM 0 HA PRO A 68 -11.026 -10.018 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.641 -9.780 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.236 -10.557 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.237 -7.765 2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.662 -8.878 3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.910 -6.808 3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.807 -8.297 4.892 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.945 -9.175 -0.205 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.674 -8.552 -1.533 1.00 0.00 C ATOM 1148 C GLU A 69 -11.978 -8.223 -2.264 1.00 0.00 C ATOM 1149 O GLU A 69 -11.991 -7.452 -3.201 1.00 0.00 O ATOM 1150 CB GLU A 69 -9.887 -9.608 -2.304 1.00 0.00 C ATOM 1151 CG GLU A 69 -10.819 -10.759 -2.686 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.000 -11.893 -3.306 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -8.902 -12.132 -2.831 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -10.486 -12.503 -4.244 1.00 0.00 O ATOM 0 H GLU A 69 -10.679 -10.157 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.130 -7.612 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.448 -9.168 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.063 -9.980 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.350 -11.119 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.573 -10.412 -3.393 1.00 0.00 H new ATOM 1161 N ASP A 70 -13.071 -8.807 -1.859 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.360 -8.522 -2.557 1.00 0.00 C ATOM 1163 C ASP A 70 -14.944 -7.181 -2.101 1.00 0.00 C ATOM 1164 O ASP A 70 -15.495 -6.439 -2.889 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.286 -9.676 -2.168 1.00 0.00 C ATOM 1166 CG ASP A 70 -16.232 -9.982 -3.330 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -16.051 -9.398 -4.386 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -17.122 -10.796 -3.143 1.00 0.00 O ATOM 0 H ASP A 70 -13.130 -9.464 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.229 -8.448 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.699 -10.560 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.858 -9.414 -1.278 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.827 -6.858 -0.844 1.00 0.00 N ATOM 1174 CA ARG A 71 -15.373 -5.565 -0.362 1.00 0.00 C ATOM 1175 C ARG A 71 -14.464 -4.419 -0.808 1.00 0.00 C ATOM 1176 O ARG A 71 -14.756 -3.260 -0.592 1.00 0.00 O ATOM 1177 CB ARG A 71 -15.398 -5.675 1.163 1.00 0.00 C ATOM 1178 CG ARG A 71 -16.583 -6.544 1.591 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.393 -6.996 3.040 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.637 -6.571 3.739 1.00 0.00 N ATOM 1181 CZ ARG A 71 -17.608 -6.289 5.013 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -17.361 -7.230 5.883 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.826 -5.068 5.417 1.00 0.00 N ATOM 0 H ARG A 71 -14.377 -7.434 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.366 -5.361 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.465 -6.110 1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.480 -4.684 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.512 -5.983 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.665 -7.412 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.254 -8.075 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.512 -6.535 3.486 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.513 -6.500 3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.191 -8.185 5.567 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.338 -7.011 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.019 -4.333 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.803 -4.849 6.413 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.359 -4.735 -1.430 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.433 -3.664 -1.888 1.00 0.00 C ATOM 1199 C VAL A 72 -13.143 -2.749 -2.887 1.00 0.00 C ATOM 1200 O VAL A 72 -13.052 -1.540 -2.812 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.269 -4.407 -2.548 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.673 -4.888 -3.944 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.077 -3.463 -2.666 1.00 0.00 C ATOM 0 H VAL A 72 -13.060 -5.687 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 72 -12.091 -3.027 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.004 -5.271 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.837 -5.415 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.526 -5.561 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.944 -4.031 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.244 -3.986 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.354 -2.602 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.780 -3.126 -1.673 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.859 -3.316 -3.815 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.585 -2.481 -4.809 1.00 0.00 C ATOM 1215 C ASN A 73 -15.646 -1.640 -4.093 1.00 0.00 C ATOM 1216 O ASN A 73 -15.995 -0.558 -4.523 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.238 -3.483 -5.766 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.367 -2.800 -6.543 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -17.529 -3.071 -6.313 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -16.073 -1.919 -7.460 1.00 0.00 N ATOM 0 H ASN A 73 -13.973 -4.323 -3.928 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.930 -1.789 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.494 -3.876 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.631 -4.331 -5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.818 -1.459 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.098 -1.691 -7.654 1.00 0.00 H new ATOM 1227 N ASP A 74 -16.162 -2.135 -3.000 1.00 0.00 N ATOM 1228 CA ASP A 74 -17.198 -1.381 -2.248 1.00 0.00 C ATOM 1229 C ASP A 74 -16.611 -0.095 -1.663 1.00 0.00 C ATOM 1230 O ASP A 74 -17.150 0.980 -1.834 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.628 -2.328 -1.127 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.798 -1.714 -0.356 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -19.110 -0.561 -0.610 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.363 -2.406 0.474 1.00 0.00 O ATOM 0 H ASP A 74 -15.906 -3.036 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.032 -1.083 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.920 -3.292 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.792 -2.512 -0.453 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.509 -0.199 -0.971 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.884 1.019 -0.370 1.00 0.00 C ATOM 1241 C LEU A 75 -14.330 1.912 -1.473 1.00 0.00 C ATOM 1242 O LEU A 75 -14.273 3.119 -1.349 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.741 0.495 0.504 1.00 0.00 C ATOM 1244 CG LEU A 75 -14.290 0.006 1.845 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -15.555 -0.816 1.608 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.239 -0.868 2.533 1.00 0.00 C ATOM 0 H LEU A 75 -15.013 -1.073 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.599 1.609 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.226 -0.319 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.007 1.284 0.668 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.526 0.862 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.947 -1.165 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.304 -0.197 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.319 -1.674 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.627 -1.219 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.007 -1.724 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.334 -0.285 2.700 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.933 1.317 -2.556 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.389 2.117 -3.692 1.00 0.00 C ATOM 1260 C ALA A 76 -14.503 2.985 -4.249 1.00 0.00 C ATOM 1261 O ALA A 76 -14.321 4.132 -4.603 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.938 1.088 -4.729 1.00 0.00 C ATOM 0 H ALA A 76 -13.960 0.309 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.566 2.770 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.525 1.603 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.176 0.442 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.791 0.484 -5.038 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.660 2.410 -4.326 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.849 3.120 -4.855 1.00 0.00 C ATOM 1270 C ARG A 77 -17.186 4.354 -4.008 1.00 0.00 C ATOM 1271 O ARG A 77 -17.479 5.411 -4.528 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.948 2.071 -4.742 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.485 1.738 -6.135 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.920 1.218 -6.019 1.00 0.00 C ATOM 1275 NE ARG A 77 -20.016 0.128 -7.028 1.00 0.00 N ATOM 1276 CZ ARG A 77 -20.739 0.296 -8.102 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.728 1.444 -8.722 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -21.475 -0.683 -8.554 1.00 0.00 N ATOM 0 H ARG A 77 -15.838 1.448 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.706 3.494 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.558 1.171 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.755 2.441 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.459 2.625 -6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.853 0.988 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -20.125 0.846 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.644 2.008 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.517 -0.749 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.155 2.210 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.293 1.576 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.485 -1.580 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.040 -0.551 -9.393 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.165 4.226 -2.710 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.504 5.391 -1.839 1.00 0.00 C ATOM 1294 C GLU A 78 -16.397 6.451 -1.874 1.00 0.00 C ATOM 1295 O GLU A 78 -16.658 7.629 -2.008 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.637 4.808 -0.430 1.00 0.00 C ATOM 1297 CG GLU A 78 -18.427 3.498 -0.487 1.00 0.00 C ATOM 1298 CD GLU A 78 -19.400 3.437 0.690 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -19.748 4.489 1.202 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.784 2.339 1.060 1.00 0.00 O ATOM 0 H GLU A 78 -16.928 3.367 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.416 5.887 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.649 4.630 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -18.142 5.520 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.973 3.431 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.745 2.648 -0.453 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.166 6.043 -1.736 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.045 7.028 -1.741 1.00 0.00 C ATOM 1309 C LEU A 79 -14.064 7.884 -3.012 1.00 0.00 C ATOM 1310 O LEU A 79 -13.989 9.094 -2.954 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.777 6.174 -1.692 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.340 5.993 -0.238 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -12.168 7.364 0.414 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -13.406 5.201 0.520 1.00 0.00 C ATOM 0 H LEU A 79 -14.886 5.069 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.114 7.723 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.962 5.203 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.982 6.651 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.394 5.452 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.856 7.237 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.410 7.931 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.115 7.903 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.095 5.072 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.352 5.742 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.533 4.223 0.055 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.151 7.269 -4.157 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.159 8.053 -5.427 1.00 0.00 C ATOM 1328 C ARG A 80 -15.405 8.941 -5.513 1.00 0.00 C ATOM 1329 O ARG A 80 -15.391 9.984 -6.138 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.172 7.001 -6.535 1.00 0.00 C ATOM 1331 CG ARG A 80 -13.393 7.524 -7.743 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.301 8.422 -8.584 1.00 0.00 C ATOM 1333 NE ARG A 80 -13.375 9.344 -9.296 1.00 0.00 N ATOM 1334 CZ ARG A 80 -13.848 10.369 -9.949 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -15.030 10.304 -10.499 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -13.139 11.460 -10.053 1.00 0.00 N ATOM 0 H ARG A 80 -14.217 6.258 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.300 8.720 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.727 6.073 -6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.198 6.772 -6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.518 8.082 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.030 6.690 -8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.894 7.837 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.002 8.973 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.369 9.174 -9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.584 9.451 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.400 11.106 -11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.215 11.511 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.509 12.262 -10.564 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.483 8.535 -4.903 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.727 9.354 -4.962 1.00 0.00 C ATOM 1352 C ILE A 81 -17.630 10.562 -4.024 1.00 0.00 C ATOM 1353 O ILE A 81 -18.387 11.506 -4.140 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.835 8.407 -4.507 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.146 7.415 -5.630 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.091 9.212 -4.178 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.293 6.498 -5.200 1.00 0.00 C ATOM 0 H ILE A 81 -16.557 7.671 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.908 9.755 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.509 7.865 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.417 7.952 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.261 6.823 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.882 8.536 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.870 9.921 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.419 9.754 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.514 5.792 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.004 5.951 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.179 7.097 -4.990 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.717 10.543 -3.090 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.601 11.697 -2.149 1.00 0.00 C ATOM 1371 C ARG A 82 -15.975 12.905 -2.839 1.00 0.00 C ATOM 1372 O ARG A 82 -15.330 12.803 -3.862 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.707 11.219 -1.014 1.00 0.00 C ATOM 1374 CG ARG A 82 -15.291 12.401 -0.136 1.00 0.00 C ATOM 1375 CD ARG A 82 -16.511 12.943 0.615 1.00 0.00 C ATOM 1376 NE ARG A 82 -16.196 12.729 2.055 1.00 0.00 N ATOM 1377 CZ ARG A 82 -16.801 13.437 2.969 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -16.560 14.716 3.070 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -17.646 12.867 3.784 1.00 0.00 N ATOM 0 H ARG A 82 -16.051 9.786 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.581 12.011 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.234 10.478 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.822 10.729 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.525 12.087 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.853 13.187 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.672 13.999 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.420 12.416 0.326 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.507 12.028 2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.899 15.162 2.434 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.033 15.269 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.834 11.867 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.119 13.421 4.498 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.178 14.046 -2.264 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.621 15.310 -2.835 1.00 0.00 C ATOM 1395 C ASP A 83 -14.108 15.400 -2.610 1.00 0.00 C ATOM 1396 O ASP A 83 -13.353 15.718 -3.507 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.340 16.426 -2.077 1.00 0.00 C ATOM 1398 CG ASP A 83 -17.711 16.673 -2.711 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -18.102 15.882 -3.554 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -18.346 17.647 -2.342 1.00 0.00 O ATOM 0 H ASP A 83 -16.715 14.168 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.773 15.370 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.457 16.151 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.746 17.339 -2.103 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.667 15.145 -1.408 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.210 15.239 -1.100 1.00 0.00 C ATOM 1407 C ASN A 84 -11.406 14.222 -1.914 1.00 0.00 C ATOM 1408 O ASN A 84 -10.252 14.440 -2.225 1.00 0.00 O ATOM 1409 CB ASN A 84 -12.111 14.920 0.392 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.994 15.884 1.183 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.722 16.670 0.609 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.960 15.858 2.486 1.00 0.00 N ATOM 0 H ASN A 84 -14.257 14.874 -0.621 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.805 16.220 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.423 13.892 0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.076 15.003 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.545 16.497 3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.349 15.198 2.967 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.996 13.114 -2.261 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.246 12.098 -3.050 1.00 0.00 C ATOM 1421 C VAL A 85 -11.278 12.455 -4.538 1.00 0.00 C ATOM 1422 O VAL A 85 -12.329 12.584 -5.132 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.980 10.782 -2.792 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.605 9.763 -3.869 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.580 10.239 -1.419 1.00 0.00 C ATOM 0 H VAL A 85 -12.960 12.868 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.196 12.041 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.056 10.957 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.130 8.826 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.888 10.148 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.530 9.587 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.102 9.301 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.504 10.066 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.848 10.963 -0.649 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.133 12.611 -5.148 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.104 12.954 -6.599 1.00 0.00 C ATOM 1437 C ARG A 86 -10.131 11.673 -7.435 1.00 0.00 C ATOM 1438 O ARG A 86 -10.742 11.614 -8.484 1.00 0.00 O ATOM 1439 CB ARG A 86 -8.787 13.702 -6.804 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.056 15.017 -7.538 1.00 0.00 C ATOM 1441 CD ARG A 86 -8.203 15.076 -8.806 1.00 0.00 C ATOM 1442 NE ARG A 86 -8.722 16.248 -9.564 1.00 0.00 N ATOM 1443 CZ ARG A 86 -9.391 16.063 -10.670 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -10.532 15.431 -10.645 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -8.917 16.509 -11.803 1.00 0.00 N ATOM 0 H ARG A 86 -9.219 12.516 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.961 13.555 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.315 13.900 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.093 13.088 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.113 15.094 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.823 15.862 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.147 15.197 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.295 14.158 -9.387 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.555 17.194 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.902 15.081 -9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.054 15.287 -11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.024 17.002 -11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.440 16.364 -12.667 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.472 10.645 -6.975 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.457 9.365 -7.730 1.00 0.00 C ATOM 1461 C ARG A 87 -9.288 8.198 -6.757 1.00 0.00 C ATOM 1462 O ARG A 87 -8.812 8.363 -5.651 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.247 9.466 -8.649 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.266 10.812 -9.375 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.181 10.823 -10.454 1.00 0.00 C ATOM 1466 NE ARG A 87 -7.923 10.892 -11.743 1.00 0.00 N ATOM 1467 CZ ARG A 87 -8.603 11.964 -12.049 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -7.992 13.006 -12.542 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -9.893 11.994 -11.860 1.00 0.00 N ATOM 0 H ARG A 87 -8.941 10.639 -6.104 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.379 9.196 -8.287 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.329 9.366 -8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.258 8.651 -9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.244 10.981 -9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.097 11.623 -8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.515 11.677 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.563 9.927 -10.402 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.900 10.102 -12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.983 12.983 -12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.523 13.843 -12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.371 11.180 -11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.424 12.831 -12.099 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.668 7.021 -7.159 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.523 5.849 -6.253 1.00 0.00 C ATOM 1485 C VAL A 88 -8.843 4.692 -6.989 1.00 0.00 C ATOM 1486 O VAL A 88 -9.324 4.216 -7.999 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.954 5.481 -5.858 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.958 4.131 -5.140 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.509 6.555 -4.921 1.00 0.00 C ATOM 0 H VAL A 88 -10.072 6.818 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.906 6.068 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.573 5.416 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.979 3.871 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.558 3.365 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.340 4.194 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.529 6.298 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.887 6.615 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.507 7.519 -5.430 1.00 0.00 H new ATOM 1499 N MET A 89 -7.729 4.235 -6.488 1.00 0.00 N ATOM 1500 CA MET A 89 -7.020 3.106 -7.155 1.00 0.00 C ATOM 1501 C MET A 89 -7.006 1.888 -6.233 1.00 0.00 C ATOM 1502 O MET A 89 -6.533 1.952 -5.115 1.00 0.00 O ATOM 1503 CB MET A 89 -5.598 3.610 -7.398 1.00 0.00 C ATOM 1504 CG MET A 89 -5.300 3.602 -8.899 1.00 0.00 C ATOM 1505 SD MET A 89 -4.253 5.019 -9.315 1.00 0.00 S ATOM 1506 CE MET A 89 -4.882 5.286 -10.990 1.00 0.00 C ATOM 0 H MET A 89 -7.279 4.594 -5.646 1.00 0.00 H new ATOM 0 HA MET A 89 -7.503 2.804 -8.084 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.486 4.619 -7.000 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.883 2.978 -6.872 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.801 2.674 -9.176 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.230 3.645 -9.465 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.364 6.131 -11.443 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.711 4.392 -11.590 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.951 5.496 -10.948 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.525 0.780 -6.682 1.00 0.00 N ATOM 1517 CA VAL A 90 -7.537 -0.429 -5.814 1.00 0.00 C ATOM 1518 C VAL A 90 -6.462 -1.422 -6.265 1.00 0.00 C ATOM 1519 O VAL A 90 -6.554 -2.014 -7.322 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.929 -1.033 -6.000 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -9.076 -2.256 -5.096 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -9.994 0.003 -5.632 1.00 0.00 C ATOM 0 H VAL A 90 -7.939 0.659 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.328 -0.188 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.058 -1.329 -7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.068 -2.688 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.320 -2.996 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.945 -1.958 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.985 -0.431 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.866 0.302 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.890 0.876 -6.276 1.00 0.00 H new ATOM 1532 N VAL A 91 -5.451 -1.617 -5.463 1.00 0.00 N ATOM 1533 CA VAL A 91 -4.378 -2.581 -5.835 1.00 0.00 C ATOM 1534 C VAL A 91 -4.073 -3.509 -4.657 1.00 0.00 C ATOM 1535 O VAL A 91 -3.657 -3.073 -3.602 1.00 0.00 O ATOM 1536 CB VAL A 91 -3.153 -1.729 -6.172 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -3.271 -1.204 -7.604 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -3.051 -0.548 -5.201 1.00 0.00 C ATOM 0 H VAL A 91 -5.322 -1.150 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.672 -3.210 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.257 -2.344 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.397 -0.597 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.329 -2.044 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.171 -0.596 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.176 0.052 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.947 0.067 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.957 -0.922 -4.182 1.00 0.00 H new ATOM 1548 N LYS A 92 -4.274 -4.784 -4.829 1.00 0.00 N ATOM 1549 CA LYS A 92 -3.991 -5.741 -3.719 1.00 0.00 C ATOM 1550 C LYS A 92 -2.512 -6.137 -3.729 1.00 0.00 C ATOM 1551 O LYS A 92 -1.867 -6.133 -4.757 1.00 0.00 O ATOM 1552 CB LYS A 92 -4.873 -6.957 -4.006 1.00 0.00 C ATOM 1553 CG LYS A 92 -4.295 -7.742 -5.186 1.00 0.00 C ATOM 1554 CD LYS A 92 -5.437 -8.271 -6.055 1.00 0.00 C ATOM 1555 CE LYS A 92 -5.005 -9.573 -6.734 1.00 0.00 C ATOM 1556 NZ LYS A 92 -5.600 -10.655 -5.902 1.00 0.00 N ATOM 0 H LYS A 92 -4.622 -5.208 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.199 -5.310 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.929 -7.595 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.890 -6.636 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.641 -7.101 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.687 -8.570 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.322 -8.444 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.709 -7.530 -6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.366 -9.621 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.919 -9.657 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.348 -11.580 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.233 -10.588 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.635 -10.554 -5.889 1.00 0.00 H new ATOM 1570 N SER A 93 -1.971 -6.483 -2.593 1.00 0.00 N ATOM 1571 CA SER A 93 -0.535 -6.882 -2.547 1.00 0.00 C ATOM 1572 C SER A 93 -0.413 -8.395 -2.342 1.00 0.00 C ATOM 1573 O SER A 93 -1.397 -9.106 -2.301 1.00 0.00 O ATOM 1574 CB SER A 93 0.048 -6.133 -1.350 1.00 0.00 C ATOM 1575 OG SER A 93 1.075 -5.258 -1.800 1.00 0.00 O ATOM 0 H SER A 93 -2.459 -6.507 -1.698 1.00 0.00 H new ATOM 0 HA SER A 93 -0.011 -6.642 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.734 -5.566 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.449 -6.840 -0.624 1.00 0.00 H new ATOM 0 HG SER A 93 0.707 -4.358 -1.923 1.00 0.00 H new