USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 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 45 GLN :FLIP amide:sc= -0.409 F(o=-2.8,f=-0.79) USER MOD Set 1.2: A 68 TYR OH : rot 36:sc= -0.384 USER MOD Set 2.1: A 59 HIS : no HD1:sc= -0.0569 K(o=-11,f=-12) USER MOD Set 2.2: A 63 THR OG1 : rot 100:sc= -3! USER MOD Set 2.3: A 66 GLN : amide:sc= -0.0522 K(o=-11,f=-15!) USER MOD Set 2.4: A 70 HIS : no HE2:sc= -8.04! C(o=-11!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 52:sc= 1.21 USER MOD Single : A 7 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.8!) USER MOD Single : A 10 ASN : amide:sc= -0.987 K(o=-0.99,f=-4.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc=0.000717 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.0353 (180deg=-0.247) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00458 USER MOD Single : A 28 SER OG : rot 174:sc= -0.898 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00158) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.71 F(o=-2.7,f=-1.7) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot -105:sc= -4.68! USER MOD Single : A 52 TYR OH : rot 180:sc= 0.573 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0617 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 86:sc= 1.04 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0281 X(o=-0.028,f=0.0072) USER MOD Single : A 82 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.0053) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0315) USER MOD Single : A 89 ASN : amide:sc= 0.521 K(o=0.52,f=-5.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -53:sc= 1.2 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0645 K(o=-0.065,f=-1.1) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.2!) USER MOD Single : A 105 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.550 -39.714 -14.690 1.00 0.00 N ATOM 2 CA GLY A 1 -6.158 -39.120 -13.384 1.00 0.00 C ATOM 3 C GLY A 1 -6.643 -37.690 -13.226 1.00 0.00 C ATOM 4 O GLY A 1 -5.945 -36.752 -13.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.195 -40.690 -14.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.587 -39.717 -14.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.143 -39.151 -15.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.563 -39.729 -12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.072 -39.145 -13.289 1.00 0.00 H new ATOM 10 N PRO A 2 -7.845 -37.491 -12.660 1.00 0.00 N ATOM 11 CA PRO A 2 -8.413 -36.153 -12.460 1.00 0.00 C ATOM 12 C PRO A 2 -7.449 -35.219 -11.738 1.00 0.00 C ATOM 13 O PRO A 2 -7.111 -35.437 -10.574 1.00 0.00 O ATOM 14 CB PRO A 2 -9.650 -36.417 -11.599 1.00 0.00 C ATOM 15 CG PRO A 2 -10.032 -37.823 -11.904 1.00 0.00 C ATOM 16 CD PRO A 2 -8.746 -38.553 -12.173 1.00 0.00 C ATOM 0 HA PRO A 2 -8.635 -35.658 -13.405 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.429 -36.288 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.457 -35.726 -11.843 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.568 -38.272 -11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.695 -37.869 -12.768 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.357 -39.028 -11.272 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.878 -39.340 -12.916 1.00 0.00 H new ATOM 24 N GLY A 3 -7.008 -34.177 -12.436 1.00 0.00 N ATOM 25 CA GLY A 3 -6.086 -33.225 -11.846 1.00 0.00 C ATOM 26 C GLY A 3 -6.796 -32.147 -11.050 1.00 0.00 C ATOM 27 O GLY A 3 -7.594 -31.387 -11.597 1.00 0.00 O ATOM 0 H GLY A 3 -7.273 -33.975 -13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.390 -33.754 -11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.495 -32.760 -12.635 1.00 0.00 H new ATOM 31 N SER A 4 -6.505 -32.083 -9.755 1.00 0.00 N ATOM 32 CA SER A 4 -7.121 -31.090 -8.881 1.00 0.00 C ATOM 33 C SER A 4 -6.341 -30.955 -7.577 1.00 0.00 C ATOM 34 O SER A 4 -5.655 -31.883 -7.154 1.00 0.00 O ATOM 35 CB SER A 4 -8.572 -31.473 -8.585 1.00 0.00 C ATOM 36 OG SER A 4 -8.638 -32.611 -7.743 1.00 0.00 O ATOM 0 H SER A 4 -5.847 -32.706 -9.287 1.00 0.00 H new ATOM 0 HA SER A 4 -7.104 -30.128 -9.394 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.083 -30.635 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.095 -31.677 -9.519 1.00 0.00 H new ATOM 0 HG SER A 4 -9.576 -32.834 -7.568 1.00 0.00 H new ATOM 42 N LEU A 5 -6.452 -29.790 -6.946 1.00 0.00 N ATOM 43 CA LEU A 5 -5.758 -29.534 -5.690 1.00 0.00 C ATOM 44 C LEU A 5 -6.194 -30.524 -4.614 1.00 0.00 C ATOM 45 O LEU A 5 -7.162 -31.263 -4.793 1.00 0.00 O ATOM 46 CB LEU A 5 -6.019 -28.099 -5.223 1.00 0.00 C ATOM 47 CG LEU A 5 -4.889 -27.109 -5.508 1.00 0.00 C ATOM 48 CD1 LEU A 5 -5.453 -25.739 -5.855 1.00 0.00 C ATOM 49 CD2 LEU A 5 -3.951 -27.014 -4.315 1.00 0.00 C ATOM 0 H LEU A 5 -7.015 -29.010 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.689 -29.663 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.928 -27.737 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.208 -28.111 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.321 -27.473 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.634 -25.048 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.084 -25.819 -6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.046 -25.367 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.153 -26.305 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.507 -26.674 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.520 -27.994 -4.112 1.00 0.00 H new ATOM 61 N SER A 6 -5.475 -30.532 -3.497 1.00 0.00 N ATOM 62 CA SER A 6 -5.786 -31.431 -2.391 1.00 0.00 C ATOM 63 C SER A 6 -4.803 -31.241 -1.240 1.00 0.00 C ATOM 64 O SER A 6 -5.178 -31.324 -0.071 1.00 0.00 O ATOM 65 CB SER A 6 -5.759 -32.887 -2.863 1.00 0.00 C ATOM 66 OG SER A 6 -7.047 -33.313 -3.276 1.00 0.00 O ATOM 0 H SER A 6 -4.672 -29.925 -3.333 1.00 0.00 H new ATOM 0 HA SER A 6 -6.787 -31.190 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.056 -32.992 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.402 -33.528 -2.057 1.00 0.00 H new ATOM 0 HG SER A 6 -7.409 -32.676 -3.926 1.00 0.00 H new ATOM 72 N ASN A 7 -3.542 -30.989 -1.580 1.00 0.00 N ATOM 73 CA ASN A 7 -2.501 -30.790 -0.576 1.00 0.00 C ATOM 74 C ASN A 7 -2.238 -32.077 0.197 1.00 0.00 C ATOM 75 O ASN A 7 -2.857 -32.331 1.230 1.00 0.00 O ATOM 76 CB ASN A 7 -2.897 -29.668 0.390 1.00 0.00 C ATOM 77 CG ASN A 7 -2.152 -28.376 0.111 1.00 0.00 C ATOM 78 OD1 ASN A 7 -1.037 -28.389 -0.408 1.00 0.00 O ATOM 79 ND2 ASN A 7 -2.770 -27.252 0.456 1.00 0.00 N ATOM 0 H ASN A 7 -3.216 -30.918 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 7 -1.584 -30.505 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.970 -29.489 0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.697 -29.986 1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.320 -26.352 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.695 -27.289 0.884 1.00 0.00 H new ATOM 86 N PHE A 8 -1.314 -32.887 -0.311 1.00 0.00 N ATOM 87 CA PHE A 8 -0.967 -34.148 0.331 1.00 0.00 C ATOM 88 C PHE A 8 0.156 -33.954 1.345 1.00 0.00 C ATOM 89 O PHE A 8 0.167 -34.583 2.403 1.00 0.00 O ATOM 90 CB PHE A 8 -0.547 -35.180 -0.719 1.00 0.00 C ATOM 91 CG PHE A 8 -0.424 -36.575 -0.175 1.00 0.00 C ATOM 92 CD1 PHE A 8 -1.522 -37.217 0.377 1.00 0.00 C ATOM 93 CD2 PHE A 8 0.787 -37.245 -0.217 1.00 0.00 C ATOM 94 CE1 PHE A 8 -1.413 -38.499 0.878 1.00 0.00 C ATOM 95 CE2 PHE A 8 0.904 -38.528 0.283 1.00 0.00 C ATOM 96 CZ PHE A 8 -0.198 -39.156 0.831 1.00 0.00 C ATOM 0 H PHE A 8 -0.793 -32.691 -1.166 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.849 -34.512 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.275 -35.178 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.409 -34.881 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.474 -36.708 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.651 -36.759 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.276 -38.988 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.855 -39.039 0.245 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.110 -40.159 1.222 1.00 0.00 H new ATOM 106 N ALA A 9 1.100 -33.078 1.015 1.00 0.00 N ATOM 107 CA ALA A 9 2.226 -32.800 1.899 1.00 0.00 C ATOM 108 C ALA A 9 1.779 -32.016 3.128 1.00 0.00 C ATOM 109 O ALA A 9 0.589 -31.775 3.323 1.00 0.00 O ATOM 110 CB ALA A 9 3.308 -32.038 1.147 1.00 0.00 C ATOM 0 H ALA A 9 1.107 -32.549 0.143 1.00 0.00 H new ATOM 0 HA ALA A 9 2.635 -33.751 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.144 -31.836 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.655 -32.636 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.901 -31.096 0.780 1.00 0.00 H new ATOM 116 N ASN A 10 2.743 -31.624 3.954 1.00 0.00 N ATOM 117 CA ASN A 10 2.450 -30.867 5.165 1.00 0.00 C ATOM 118 C ASN A 10 2.372 -29.372 4.869 1.00 0.00 C ATOM 119 O ASN A 10 2.761 -28.922 3.790 1.00 0.00 O ATOM 120 CB ASN A 10 3.516 -31.132 6.229 1.00 0.00 C ATOM 121 CG ASN A 10 4.901 -30.714 5.778 1.00 0.00 C ATOM 122 OD1 ASN A 10 5.352 -31.086 4.695 1.00 0.00 O ATOM 123 ND2 ASN A 10 5.583 -29.933 6.608 1.00 0.00 N ATOM 0 H ASN A 10 3.734 -31.818 3.807 1.00 0.00 H new ATOM 0 HA ASN A 10 1.481 -31.195 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.256 -30.594 7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.523 -32.194 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.520 -29.617 6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.170 -29.649 7.496 1.00 0.00 H new ATOM 130 N VAL A 11 1.870 -28.608 5.832 1.00 0.00 N ATOM 131 CA VAL A 11 1.741 -27.165 5.675 1.00 0.00 C ATOM 132 C VAL A 11 0.847 -26.818 4.490 1.00 0.00 C ATOM 133 O VAL A 11 1.250 -26.954 3.334 1.00 0.00 O ATOM 134 CB VAL A 11 3.115 -26.497 5.479 1.00 0.00 C ATOM 135 CG1 VAL A 11 2.985 -24.981 5.519 1.00 0.00 C ATOM 136 CG2 VAL A 11 4.099 -26.981 6.533 1.00 0.00 C ATOM 0 H VAL A 11 1.545 -28.965 6.731 1.00 0.00 H new ATOM 0 HA VAL A 11 1.288 -26.787 6.591 1.00 0.00 H new ATOM 0 HB VAL A 11 3.498 -26.780 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.966 -24.528 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.316 -24.652 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.579 -24.676 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.064 -26.498 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.722 -26.730 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.217 -28.062 6.452 1.00 0.00 H new ATOM 146 N GLY A 12 -0.370 -26.371 4.783 1.00 0.00 N ATOM 147 CA GLY A 12 -1.303 -26.011 3.732 1.00 0.00 C ATOM 148 C GLY A 12 -2.063 -24.737 4.041 1.00 0.00 C ATOM 149 O GLY A 12 -1.943 -24.185 5.135 1.00 0.00 O ATOM 0 H GLY A 12 -0.727 -26.252 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.760 -25.888 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.012 -26.826 3.585 1.00 0.00 H new ATOM 153 N VAL A 13 -2.846 -24.268 3.075 1.00 0.00 N ATOM 154 CA VAL A 13 -3.628 -23.049 3.249 1.00 0.00 C ATOM 155 C VAL A 13 -5.097 -23.288 2.911 1.00 0.00 C ATOM 156 O VAL A 13 -5.418 -24.028 1.981 1.00 0.00 O ATOM 157 CB VAL A 13 -3.085 -21.903 2.374 1.00 0.00 C ATOM 158 CG1 VAL A 13 -3.165 -22.268 0.899 1.00 0.00 C ATOM 159 CG2 VAL A 13 -3.838 -20.611 2.653 1.00 0.00 C ATOM 0 H VAL A 13 -2.956 -24.713 2.164 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.543 -22.762 4.297 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.037 -21.746 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.777 -21.445 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.572 -23.164 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.203 -22.457 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.439 -19.814 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.896 -20.752 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.719 -20.340 3.702 1.00 0.00 H new ATOM 169 N GLY A 14 -5.984 -22.656 3.674 1.00 0.00 N ATOM 170 CA GLY A 14 -7.408 -22.813 3.439 1.00 0.00 C ATOM 171 C GLY A 14 -7.901 -24.206 3.777 1.00 0.00 C ATOM 172 O GLY A 14 -8.200 -24.999 2.885 1.00 0.00 O ATOM 0 H GLY A 14 -5.743 -22.039 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.954 -22.083 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.627 -22.597 2.393 1.00 0.00 H new ATOM 176 N THR A 15 -7.983 -24.504 5.070 1.00 0.00 N ATOM 177 CA THR A 15 -8.444 -25.811 5.525 1.00 0.00 C ATOM 178 C THR A 15 -9.584 -25.667 6.530 1.00 0.00 C ATOM 179 O THR A 15 -10.602 -26.350 6.429 1.00 0.00 O ATOM 180 CB THR A 15 -7.288 -26.595 6.153 1.00 0.00 C ATOM 181 OG1 THR A 15 -6.053 -25.938 5.930 1.00 0.00 O ATOM 182 CG2 THR A 15 -7.161 -28.005 5.615 1.00 0.00 C ATOM 0 H THR A 15 -7.736 -23.859 5.820 1.00 0.00 H new ATOM 0 HA THR A 15 -8.815 -26.359 4.659 1.00 0.00 H new ATOM 0 HB THR A 15 -7.520 -26.647 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.329 -26.455 6.341 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.324 -28.506 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.080 -28.556 5.817 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.988 -27.970 4.539 1.00 0.00 H new ATOM 190 N SER A 16 -9.404 -24.772 7.496 1.00 0.00 N ATOM 191 CA SER A 16 -10.416 -24.536 8.518 1.00 0.00 C ATOM 192 C SER A 16 -11.006 -23.136 8.387 1.00 0.00 C ATOM 193 O SER A 16 -10.365 -22.228 7.857 1.00 0.00 O ATOM 194 CB SER A 16 -9.815 -24.719 9.912 1.00 0.00 C ATOM 195 OG SER A 16 -8.508 -24.179 9.980 1.00 0.00 O ATOM 0 H SER A 16 -8.566 -24.198 7.592 1.00 0.00 H new ATOM 0 HA SER A 16 -11.216 -25.263 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.451 -24.233 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.787 -25.779 10.163 1.00 0.00 H new ATOM 0 HG SER A 16 -8.147 -24.308 10.882 1.00 0.00 H new ATOM 201 N SER A 17 -12.232 -22.967 8.873 1.00 0.00 N ATOM 202 CA SER A 17 -12.909 -21.676 8.811 1.00 0.00 C ATOM 203 C SER A 17 -13.128 -21.109 10.208 1.00 0.00 C ATOM 204 O SER A 17 -13.778 -21.732 11.048 1.00 0.00 O ATOM 205 CB SER A 17 -14.249 -21.815 8.087 1.00 0.00 C ATOM 206 OG SER A 17 -14.666 -20.574 7.544 1.00 0.00 O ATOM 0 H SER A 17 -12.777 -23.708 9.314 1.00 0.00 H new ATOM 0 HA SER A 17 -12.274 -20.986 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.160 -22.553 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.004 -22.184 8.781 1.00 0.00 H new ATOM 0 HG SER A 17 -15.524 -20.690 7.085 1.00 0.00 H new ATOM 212 N GLY A 18 -12.581 -19.922 10.453 1.00 0.00 N ATOM 213 CA GLY A 18 -12.728 -19.290 11.749 1.00 0.00 C ATOM 214 C GLY A 18 -11.929 -18.005 11.863 1.00 0.00 C ATOM 215 O GLY A 18 -10.905 -17.961 12.543 1.00 0.00 O ATOM 0 H GLY A 18 -12.038 -19.387 9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.782 -19.076 11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.407 -19.984 12.526 1.00 0.00 H new ATOM 219 N LYS A 19 -12.400 -16.957 11.195 1.00 0.00 N ATOM 220 CA LYS A 19 -11.723 -15.666 11.223 1.00 0.00 C ATOM 221 C LYS A 19 -11.861 -15.010 12.594 1.00 0.00 C ATOM 222 O LYS A 19 -12.955 -14.616 12.997 1.00 0.00 O ATOM 223 CB LYS A 19 -12.291 -14.745 10.139 1.00 0.00 C ATOM 224 CG LYS A 19 -11.360 -14.557 8.951 1.00 0.00 C ATOM 225 CD LYS A 19 -11.341 -13.112 8.479 1.00 0.00 C ATOM 226 CE LYS A 19 -10.871 -13.005 7.037 1.00 0.00 C ATOM 227 NZ LYS A 19 -11.883 -13.536 6.082 1.00 0.00 N ATOM 0 H LYS A 19 -13.248 -16.977 10.628 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.664 -15.833 11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.238 -15.153 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.507 -13.771 10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.351 -14.864 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.678 -15.204 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.340 -12.685 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.684 -12.526 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.661 -11.962 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.937 -13.554 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.699 -13.153 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.823 -14.574 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.835 -13.252 6.391 1.00 0.00 H new ATOM 241 N GLN A 20 -10.743 -14.896 13.304 1.00 0.00 N ATOM 242 CA GLN A 20 -10.739 -14.287 14.629 1.00 0.00 C ATOM 243 C GLN A 20 -9.556 -13.337 14.786 1.00 0.00 C ATOM 244 O GLN A 20 -8.760 -13.164 13.864 1.00 0.00 O ATOM 245 CB GLN A 20 -10.689 -15.369 15.710 1.00 0.00 C ATOM 246 CG GLN A 20 -12.028 -15.615 16.386 1.00 0.00 C ATOM 247 CD GLN A 20 -12.081 -16.949 17.105 1.00 0.00 C ATOM 248 OE1 GLN A 20 -12.318 -17.990 16.491 1.00 0.00 O ATOM 249 NE2 GLN A 20 -11.862 -16.925 18.415 1.00 0.00 N ATOM 0 H GLN A 20 -9.829 -15.217 12.984 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.659 -13.714 14.742 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.340 -16.300 15.264 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.957 -15.083 16.465 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.224 -14.814 17.099 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.821 -15.577 15.639 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.669 -16.040 18.884 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.887 -17.792 18.952 1.00 0.00 H new ATOM 258 N LYS A 21 -9.447 -12.724 15.961 1.00 0.00 N ATOM 259 CA LYS A 21 -8.362 -11.791 16.240 1.00 0.00 C ATOM 260 C LYS A 21 -8.421 -10.589 15.303 1.00 0.00 C ATOM 261 O LYS A 21 -8.883 -10.698 14.167 1.00 0.00 O ATOM 262 CB LYS A 21 -7.009 -12.492 16.101 1.00 0.00 C ATOM 263 CG LYS A 21 -5.934 -11.929 17.016 1.00 0.00 C ATOM 264 CD LYS A 21 -4.539 -12.171 16.457 1.00 0.00 C ATOM 265 CE LYS A 21 -3.642 -12.865 17.471 1.00 0.00 C ATOM 266 NZ LYS A 21 -2.201 -12.697 17.142 1.00 0.00 N ATOM 0 H LYS A 21 -10.098 -12.857 16.735 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.478 -11.437 17.264 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.136 -13.553 16.314 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.673 -12.412 15.067 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.093 -10.859 17.149 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.017 -12.388 18.001 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.608 -12.779 15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.093 -11.220 16.166 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.837 -12.462 18.465 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.886 -13.927 17.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.623 -13.184 17.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.009 -13.104 16.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.962 -11.685 17.135 1.00 0.00 H new ATOM 280 N ARG A 22 -7.951 -9.444 15.787 1.00 0.00 N ATOM 281 CA ARG A 22 -7.951 -8.223 14.992 1.00 0.00 C ATOM 282 C ARG A 22 -6.577 -7.564 15.007 1.00 0.00 C ATOM 283 O ARG A 22 -6.237 -6.833 15.938 1.00 0.00 O ATOM 284 CB ARG A 22 -9.004 -7.245 15.519 1.00 0.00 C ATOM 285 CG ARG A 22 -9.660 -6.411 14.429 1.00 0.00 C ATOM 286 CD ARG A 22 -8.627 -5.691 13.577 1.00 0.00 C ATOM 287 NE ARG A 22 -7.864 -4.712 14.350 1.00 0.00 N ATOM 288 CZ ARG A 22 -8.306 -3.490 14.642 1.00 0.00 C ATOM 289 NH1 ARG A 22 -9.504 -3.093 14.227 1.00 0.00 N ATOM 290 NH2 ARG A 22 -7.549 -2.663 15.349 1.00 0.00 N ATOM 0 H ARG A 22 -7.566 -9.337 16.725 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.195 -8.490 13.964 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.774 -7.805 16.050 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.538 -6.578 16.244 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.270 -7.055 13.795 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.331 -5.681 14.882 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.944 -6.421 13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.127 -5.189 12.749 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.939 -4.981 14.685 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.090 -3.725 13.682 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.838 -2.156 14.453 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.628 -2.962 15.669 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.887 -1.727 15.573 1.00 0.00 H new ATOM 304 N TYR A 23 -5.790 -7.828 13.971 1.00 0.00 N ATOM 305 CA TYR A 23 -4.450 -7.260 13.863 1.00 0.00 C ATOM 306 C TYR A 23 -4.037 -7.121 12.401 1.00 0.00 C ATOM 307 O TYR A 23 -3.790 -6.018 11.918 1.00 0.00 O ATOM 308 CB TYR A 23 -3.443 -8.137 14.612 1.00 0.00 C ATOM 309 CG TYR A 23 -2.546 -7.362 15.552 1.00 0.00 C ATOM 310 CD1 TYR A 23 -2.917 -7.142 16.873 1.00 0.00 C ATOM 311 CD2 TYR A 23 -1.330 -6.852 15.117 1.00 0.00 C ATOM 312 CE1 TYR A 23 -2.100 -6.435 17.733 1.00 0.00 C ATOM 313 CE2 TYR A 23 -0.507 -6.143 15.973 1.00 0.00 C ATOM 314 CZ TYR A 23 -0.896 -5.938 17.279 1.00 0.00 C ATOM 315 OH TYR A 23 -0.080 -5.234 18.134 1.00 0.00 O ATOM 0 H TYR A 23 -6.056 -8.432 13.193 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.462 -6.267 14.313 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.985 -8.893 15.181 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.825 -8.666 13.887 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.859 -7.530 17.233 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.022 -7.011 14.094 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.402 -6.272 18.757 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.436 -5.752 15.620 1.00 0.00 H new ATOM 0 HH TYR A 23 0.730 -4.955 17.658 1.00 0.00 H new ATOM 325 N LYS A 24 -3.966 -8.250 11.704 1.00 0.00 N ATOM 326 CA LYS A 24 -3.586 -8.258 10.297 1.00 0.00 C ATOM 327 C LYS A 24 -4.806 -8.416 9.404 1.00 0.00 C ATOM 328 O LYS A 24 -5.587 -9.356 9.551 1.00 0.00 O ATOM 329 CB LYS A 24 -2.586 -9.384 10.021 1.00 0.00 C ATOM 330 CG LYS A 24 -1.315 -9.283 10.848 1.00 0.00 C ATOM 331 CD LYS A 24 -0.749 -10.658 11.168 1.00 0.00 C ATOM 332 CE LYS A 24 0.141 -11.169 10.047 1.00 0.00 C ATOM 333 NZ LYS A 24 0.676 -12.528 10.337 1.00 0.00 N ATOM 0 H LYS A 24 -4.167 -9.172 12.091 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.115 -7.301 10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.065 -10.342 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.323 -9.375 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.572 -8.699 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.524 -8.749 11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.177 -10.611 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.567 -11.360 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.426 -11.193 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.970 -10.477 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.278 -12.840 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.238 -12.500 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.114 -13.194 10.454 1.00 0.00 H new ATOM 347 N PHE A 25 -4.957 -7.481 8.479 1.00 0.00 N ATOM 348 CA PHE A 25 -6.071 -7.488 7.547 1.00 0.00 C ATOM 349 C PHE A 25 -5.682 -6.775 6.267 1.00 0.00 C ATOM 350 O PHE A 25 -4.717 -6.010 6.249 1.00 0.00 O ATOM 351 CB PHE A 25 -7.302 -6.825 8.172 1.00 0.00 C ATOM 352 CG PHE A 25 -8.358 -7.805 8.599 1.00 0.00 C ATOM 353 CD1 PHE A 25 -8.315 -8.383 9.857 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.393 -8.147 7.743 1.00 0.00 C ATOM 355 CE1 PHE A 25 -9.285 -9.286 10.255 1.00 0.00 C ATOM 356 CE2 PHE A 25 -10.364 -9.048 8.135 1.00 0.00 C ATOM 357 CZ PHE A 25 -10.311 -9.618 9.392 1.00 0.00 C ATOM 0 H PHE A 25 -4.313 -6.700 8.354 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.321 -8.523 7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.990 -6.239 9.037 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.733 -6.128 7.454 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.515 -8.126 10.535 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.441 -7.704 6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.240 -9.730 11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.165 -9.307 7.458 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.070 -10.322 9.699 1.00 0.00 H new ATOM 367 N SER A 26 -6.432 -7.015 5.198 1.00 0.00 N ATOM 368 CA SER A 26 -6.154 -6.367 3.923 1.00 0.00 C ATOM 369 C SER A 26 -6.516 -4.889 4.011 1.00 0.00 C ATOM 370 O SER A 26 -7.206 -4.350 3.146 1.00 0.00 O ATOM 371 CB SER A 26 -6.943 -7.039 2.798 1.00 0.00 C ATOM 372 OG SER A 26 -7.026 -8.441 2.998 1.00 0.00 O ATOM 0 H SER A 26 -7.231 -7.649 5.188 1.00 0.00 H new ATOM 0 HA SER A 26 -5.091 -6.463 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.946 -6.616 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.464 -6.833 1.841 1.00 0.00 H new ATOM 0 HG SER A 26 -7.537 -8.846 2.266 1.00 0.00 H new ATOM 378 N ALA A 27 -6.047 -4.245 5.078 1.00 0.00 N ATOM 379 CA ALA A 27 -6.314 -2.838 5.321 1.00 0.00 C ATOM 380 C ALA A 27 -5.908 -2.452 6.740 1.00 0.00 C ATOM 381 O ALA A 27 -5.631 -1.285 7.016 1.00 0.00 O ATOM 382 CB ALA A 27 -7.785 -2.527 5.094 1.00 0.00 C ATOM 0 H ALA A 27 -5.472 -4.688 5.795 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.721 -2.253 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.966 -1.469 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.052 -2.765 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.392 -3.124 5.774 1.00 0.00 H new ATOM 388 N SER A 28 -5.875 -3.436 7.647 1.00 0.00 N ATOM 389 CA SER A 28 -5.500 -3.171 9.033 1.00 0.00 C ATOM 390 C SER A 28 -4.135 -2.492 9.114 1.00 0.00 C ATOM 391 O SER A 28 -3.853 -1.760 10.061 1.00 0.00 O ATOM 392 CB SER A 28 -5.484 -4.467 9.842 1.00 0.00 C ATOM 393 OG SER A 28 -6.707 -4.652 10.535 1.00 0.00 O ATOM 0 H SER A 28 -6.101 -4.410 7.446 1.00 0.00 H new ATOM 0 HA SER A 28 -6.246 -2.497 9.455 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.308 -5.312 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.659 -4.445 10.554 1.00 0.00 H new ATOM 0 HG SER A 28 -6.709 -5.532 10.966 1.00 0.00 H new ATOM 399 N GLU A 29 -3.291 -2.741 8.116 1.00 0.00 N ATOM 400 CA GLU A 29 -1.958 -2.151 8.083 1.00 0.00 C ATOM 401 C GLU A 29 -2.036 -0.628 8.101 1.00 0.00 C ATOM 402 O GLU A 29 -1.410 0.026 8.936 1.00 0.00 O ATOM 403 CB GLU A 29 -1.200 -2.621 6.840 1.00 0.00 C ATOM 404 CG GLU A 29 0.196 -2.029 6.716 1.00 0.00 C ATOM 405 CD GLU A 29 0.296 -0.990 5.617 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.681 -0.235 5.423 1.00 0.00 O ATOM 407 OE2 GLU A 29 1.350 -0.930 4.951 1.00 0.00 O ATOM 0 H GLU A 29 -3.506 -3.345 7.323 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.421 -2.479 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.124 -3.708 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.776 -2.359 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.479 -1.575 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.909 -2.829 6.520 1.00 0.00 H new ATOM 414 N ASP A 30 -2.815 -0.068 7.181 1.00 0.00 N ATOM 415 CA ASP A 30 -2.980 1.380 7.094 1.00 0.00 C ATOM 416 C ASP A 30 -3.505 1.940 8.411 1.00 0.00 C ATOM 417 O ASP A 30 -3.071 2.998 8.867 1.00 0.00 O ATOM 418 CB ASP A 30 -3.933 1.739 5.954 1.00 0.00 C ATOM 419 CG ASP A 30 -3.433 2.912 5.131 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.596 3.684 5.646 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.879 3.060 3.975 1.00 0.00 O ATOM 0 H ASP A 30 -3.342 -0.595 6.485 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.005 1.824 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.063 0.872 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.914 1.979 6.365 1.00 0.00 H new ATOM 426 N GLU A 31 -4.437 1.215 9.016 1.00 0.00 N ATOM 427 CA GLU A 31 -5.023 1.627 10.284 1.00 0.00 C ATOM 428 C GLU A 31 -3.997 1.537 11.405 1.00 0.00 C ATOM 429 O GLU A 31 -4.058 2.286 12.381 1.00 0.00 O ATOM 430 CB GLU A 31 -6.240 0.761 10.615 1.00 0.00 C ATOM 431 CG GLU A 31 -7.557 1.361 10.151 1.00 0.00 C ATOM 432 CD GLU A 31 -7.722 1.312 8.644 1.00 0.00 C ATOM 433 OE1 GLU A 31 -7.225 0.349 8.024 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.348 2.238 8.085 1.00 0.00 O ATOM 0 H GLU A 31 -4.804 0.337 8.648 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.344 2.664 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.114 -0.219 10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.281 0.604 11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.382 0.825 10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.618 2.396 10.486 1.00 0.00 H new ATOM 441 N ALA A 32 -3.054 0.613 11.266 1.00 0.00 N ATOM 442 CA ALA A 32 -2.018 0.431 12.271 1.00 0.00 C ATOM 443 C ALA A 32 -1.047 1.602 12.276 1.00 0.00 C ATOM 444 O ALA A 32 -0.568 2.018 13.330 1.00 0.00 O ATOM 445 CB ALA A 32 -1.277 -0.878 12.041 1.00 0.00 C ATOM 0 H ALA A 32 -2.987 -0.020 10.469 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.499 0.391 13.248 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.506 -0.998 12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.979 -1.709 12.102 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.814 -0.866 11.054 1.00 0.00 H new ATOM 451 N ILE A 33 -0.763 2.141 11.095 1.00 0.00 N ATOM 452 CA ILE A 33 0.149 3.274 10.989 1.00 0.00 C ATOM 453 C ILE A 33 -0.498 4.533 11.542 1.00 0.00 C ATOM 454 O ILE A 33 0.109 5.262 12.327 1.00 0.00 O ATOM 455 CB ILE A 33 0.599 3.547 9.539 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.817 2.237 8.780 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.871 4.381 9.547 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.343 2.429 7.374 1.00 0.00 C ATOM 0 H ILE A 33 -1.146 1.816 10.207 1.00 0.00 H new ATOM 0 HA ILE A 33 1.030 3.009 11.573 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.186 4.102 9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.517 1.616 9.339 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.126 1.692 8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.187 4.573 8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.682 5.329 10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.657 3.840 10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.473 1.457 6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.634 3.023 6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.302 2.945 7.412 1.00 0.00 H new ATOM 470 N ILE A 34 -1.737 4.783 11.135 1.00 0.00 N ATOM 471 CA ILE A 34 -2.458 5.954 11.605 1.00 0.00 C ATOM 472 C ILE A 34 -2.677 5.871 13.108 1.00 0.00 C ATOM 473 O ILE A 34 -2.586 6.873 13.815 1.00 0.00 O ATOM 474 CB ILE A 34 -3.816 6.126 10.892 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.674 4.872 11.062 1.00 0.00 C ATOM 476 CG2 ILE A 34 -3.604 6.433 9.417 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.539 4.895 12.303 1.00 0.00 C ATOM 0 H ILE A 34 -2.258 4.194 10.485 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.845 6.824 11.370 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.342 6.965 11.347 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.312 4.757 10.186 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.023 3.998 11.099 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.571 6.552 8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.031 7.354 9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.059 5.613 8.949 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.120 3.974 12.359 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.906 4.979 13.186 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.215 5.749 12.259 1.00 0.00 H new ATOM 489 N LYS A 35 -2.948 4.663 13.594 1.00 0.00 N ATOM 490 CA LYS A 35 -3.154 4.448 15.019 1.00 0.00 C ATOM 491 C LYS A 35 -1.824 4.522 15.755 1.00 0.00 C ATOM 492 O LYS A 35 -1.740 5.037 16.870 1.00 0.00 O ATOM 493 CB LYS A 35 -3.820 3.093 15.267 1.00 0.00 C ATOM 494 CG LYS A 35 -5.338 3.135 15.185 1.00 0.00 C ATOM 495 CD LYS A 35 -5.980 2.977 16.555 1.00 0.00 C ATOM 496 CE LYS A 35 -7.006 4.067 16.821 1.00 0.00 C ATOM 497 NZ LYS A 35 -6.364 5.391 17.047 1.00 0.00 N ATOM 0 H LYS A 35 -3.029 3.822 13.023 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.812 5.230 15.397 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.445 2.375 14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.528 2.729 16.252 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.653 4.080 14.743 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.689 2.342 14.525 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.460 2.001 16.622 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.209 3.007 17.325 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.691 4.135 15.976 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.602 3.799 17.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.095 6.100 17.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.704 5.325 17.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.843 5.675 16.193 1.00 0.00 H new ATOM 511 N GLY A 36 -0.782 4.004 15.113 1.00 0.00 N ATOM 512 CA GLY A 36 0.540 4.019 15.704 1.00 0.00 C ATOM 513 C GLY A 36 1.059 5.426 15.907 1.00 0.00 C ATOM 514 O GLY A 36 1.564 5.763 16.979 1.00 0.00 O ATOM 0 H GLY A 36 -0.832 3.573 14.190 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.513 3.501 16.663 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.229 3.468 15.063 1.00 0.00 H new ATOM 518 N LEU A 37 0.929 6.254 14.875 1.00 0.00 N ATOM 519 CA LEU A 37 1.384 7.636 14.943 1.00 0.00 C ATOM 520 C LEU A 37 0.508 8.446 15.892 1.00 0.00 C ATOM 521 O LEU A 37 1.002 9.277 16.653 1.00 0.00 O ATOM 522 CB LEU A 37 1.369 8.269 13.550 1.00 0.00 C ATOM 523 CG LEU A 37 2.581 7.935 12.676 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.137 7.532 11.278 1.00 0.00 C ATOM 525 CD2 LEU A 37 3.536 9.118 12.613 1.00 0.00 C ATOM 0 H LEU A 37 0.512 5.991 13.982 1.00 0.00 H new ATOM 0 HA LEU A 37 2.405 7.640 15.324 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.466 7.948 13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.306 9.352 13.660 1.00 0.00 H new ATOM 0 HG LEU A 37 3.107 7.092 13.125 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.012 7.298 10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.493 6.654 11.339 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.587 8.354 10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.391 8.862 11.988 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.021 9.979 12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.881 9.361 13.618 1.00 0.00 H new ATOM 537 N ALA A 38 -0.798 8.197 15.842 1.00 0.00 N ATOM 538 CA ALA A 38 -1.742 8.903 16.698 1.00 0.00 C ATOM 539 C ALA A 38 -1.410 8.695 18.173 1.00 0.00 C ATOM 540 O ALA A 38 -1.784 9.505 19.022 1.00 0.00 O ATOM 541 CB ALA A 38 -3.163 8.447 16.405 1.00 0.00 C ATOM 0 H ALA A 38 -1.225 7.512 15.218 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.662 9.969 16.482 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.858 8.983 17.052 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.404 8.655 15.363 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.247 7.376 16.590 1.00 0.00 H new ATOM 547 N ARG A 39 -0.711 7.604 18.471 1.00 0.00 N ATOM 548 CA ARG A 39 -0.337 7.293 19.846 1.00 0.00 C ATOM 549 C ARG A 39 1.033 7.874 20.192 1.00 0.00 C ATOM 550 O ARG A 39 1.278 8.264 21.334 1.00 0.00 O ATOM 551 CB ARG A 39 -0.335 5.777 20.065 1.00 0.00 C ATOM 552 CG ARG A 39 -1.346 5.314 21.100 1.00 0.00 C ATOM 553 CD ARG A 39 -0.880 5.628 22.513 1.00 0.00 C ATOM 554 NE ARG A 39 -1.863 5.223 23.517 1.00 0.00 N ATOM 555 CZ ARG A 39 -1.680 5.356 24.828 1.00 0.00 C ATOM 556 NH1 ARG A 39 -0.556 5.883 25.298 1.00 0.00 N ATOM 557 NH2 ARG A 39 -2.624 4.962 25.672 1.00 0.00 N ATOM 0 H ARG A 39 -0.393 6.923 17.781 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.075 7.749 20.506 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.543 5.281 19.117 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.662 5.464 20.376 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.305 5.799 20.916 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.507 4.241 20.999 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.065 5.119 22.705 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.690 6.698 22.603 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.740 4.815 23.193 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.173 6.188 24.653 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.421 5.983 26.304 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.490 4.557 25.316 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.484 5.064 26.677 1.00 0.00 H new ATOM 571 N PHE A 40 1.921 7.931 19.204 1.00 0.00 N ATOM 572 CA PHE A 40 3.262 8.466 19.419 1.00 0.00 C ATOM 573 C PHE A 40 3.804 9.132 18.157 1.00 0.00 C ATOM 574 O PHE A 40 3.793 8.543 17.077 1.00 0.00 O ATOM 575 CB PHE A 40 4.227 7.360 19.880 1.00 0.00 C ATOM 576 CG PHE A 40 3.709 5.962 19.675 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.827 5.337 18.443 1.00 0.00 C ATOM 578 CD2 PHE A 40 3.110 5.273 20.717 1.00 0.00 C ATOM 579 CE1 PHE A 40 3.356 4.051 18.255 1.00 0.00 C ATOM 580 CE2 PHE A 40 2.636 3.987 20.534 1.00 0.00 C ATOM 581 CZ PHE A 40 2.760 3.377 19.301 1.00 0.00 C ATOM 0 H PHE A 40 1.738 7.615 18.252 1.00 0.00 H new ATOM 0 HA PHE A 40 3.188 9.220 20.203 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.169 7.468 19.342 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.446 7.503 20.938 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.292 5.861 17.621 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.012 5.746 21.683 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.454 3.575 17.291 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.170 3.461 21.354 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.390 2.373 19.156 1.00 0.00 H new ATOM 591 N THR A 41 4.285 10.366 18.312 1.00 0.00 N ATOM 592 CA THR A 41 4.847 11.134 17.200 1.00 0.00 C ATOM 593 C THR A 41 5.095 12.578 17.620 1.00 0.00 C ATOM 594 O THR A 41 4.261 13.454 17.391 1.00 0.00 O ATOM 595 CB THR A 41 3.918 11.105 15.985 1.00 0.00 C ATOM 596 OG1 THR A 41 4.395 11.967 14.968 1.00 0.00 O ATOM 597 CG2 THR A 41 2.500 11.520 16.306 1.00 0.00 C ATOM 0 H THR A 41 4.296 10.859 19.205 1.00 0.00 H new ATOM 0 HA THR A 41 5.795 10.672 16.924 1.00 0.00 H new ATOM 0 HB THR A 41 3.911 10.067 15.653 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.788 11.933 14.199 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.895 11.477 15.401 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.084 10.845 17.053 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.498 12.538 16.696 1.00 0.00 H new ATOM 605 N LYS A 42 6.246 12.820 18.240 1.00 0.00 N ATOM 606 CA LYS A 42 6.598 14.159 18.698 1.00 0.00 C ATOM 607 C LYS A 42 7.877 14.649 18.024 1.00 0.00 C ATOM 608 O LYS A 42 8.745 15.237 18.670 1.00 0.00 O ATOM 609 CB LYS A 42 6.769 14.170 20.217 1.00 0.00 C ATOM 610 CG LYS A 42 5.646 13.464 20.960 1.00 0.00 C ATOM 611 CD LYS A 42 6.145 12.816 22.241 1.00 0.00 C ATOM 612 CE LYS A 42 6.337 11.318 22.070 1.00 0.00 C ATOM 613 NZ LYS A 42 6.271 10.597 23.371 1.00 0.00 N ATOM 0 H LYS A 42 6.949 12.108 18.436 1.00 0.00 H new ATOM 0 HA LYS A 42 5.787 14.834 18.425 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.717 13.695 20.471 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.828 15.203 20.560 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.859 14.180 21.196 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.203 12.704 20.316 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.089 13.273 22.537 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.434 13.003 23.046 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.571 10.928 21.400 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.301 11.127 21.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.407 9.578 23.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.018 10.951 24.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.342 10.758 23.810 1.00 0.00 H new ATOM 627 N GLY A 43 7.986 14.406 16.722 1.00 0.00 N ATOM 628 CA GLY A 43 9.161 14.833 15.984 1.00 0.00 C ATOM 629 C GLY A 43 10.002 13.668 15.499 1.00 0.00 C ATOM 630 O GLY A 43 9.687 12.509 15.770 1.00 0.00 O ATOM 0 H GLY A 43 7.282 13.921 16.165 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.850 15.432 15.128 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.770 15.476 16.619 1.00 0.00 H new ATOM 634 N GLN A 44 11.075 13.979 14.780 1.00 0.00 N ATOM 635 CA GLN A 44 11.968 12.952 14.253 1.00 0.00 C ATOM 636 C GLN A 44 11.219 11.990 13.336 1.00 0.00 C ATOM 637 O GLN A 44 11.661 10.863 13.112 1.00 0.00 O ATOM 638 CB GLN A 44 12.622 12.179 15.399 1.00 0.00 C ATOM 639 CG GLN A 44 14.063 11.781 15.122 1.00 0.00 C ATOM 640 CD GLN A 44 14.338 10.324 15.437 1.00 0.00 C ATOM 641 OE1 GLN A 44 14.071 9.855 16.544 1.00 0.00 O ATOM 642 NE2 GLN A 44 14.876 9.599 14.464 1.00 0.00 N ATOM 0 H GLN A 44 11.348 14.934 14.548 1.00 0.00 H new ATOM 0 HA GLN A 44 12.743 13.448 13.668 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.590 12.789 16.302 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.038 11.281 15.600 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.293 11.972 14.074 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.729 12.409 15.714 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.081 10.028 13.562 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.084 8.613 14.619 1.00 0.00 H new ATOM 651 N GLN A 45 10.083 12.438 12.805 1.00 0.00 N ATOM 652 CA GLN A 45 9.275 11.614 11.910 1.00 0.00 C ATOM 653 C GLN A 45 9.014 10.238 12.518 1.00 0.00 C ATOM 654 O GLN A 45 9.759 9.289 12.271 1.00 0.00 O ATOM 655 CB GLN A 45 9.973 11.462 10.556 1.00 0.00 C ATOM 656 CG GLN A 45 9.612 12.551 9.560 1.00 0.00 C ATOM 657 CD GLN A 45 10.503 12.537 8.332 1.00 0.00 C ATOM 658 OE1 GLN A 45 10.769 11.347 7.808 1.00 0.00 O flip ATOM 659 NE2 GLN A 45 10.944 13.585 7.859 1.00 0.00 N flip ATOM 0 H GLN A 45 9.702 13.368 12.980 1.00 0.00 H new ATOM 0 HA GLN A 45 8.317 12.113 11.765 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.052 11.466 10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.715 10.492 10.131 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.574 12.427 9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.686 13.523 10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.714 14.478 8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.540 13.560 7.031 1.00 0.00 H new ATOM 668 N ARG A 46 7.953 10.136 13.313 1.00 0.00 N ATOM 669 CA ARG A 46 7.598 8.875 13.954 1.00 0.00 C ATOM 670 C ARG A 46 7.160 7.835 12.925 1.00 0.00 C ATOM 671 O ARG A 46 7.227 6.638 13.182 1.00 0.00 O ATOM 672 CB ARG A 46 6.489 9.091 14.988 1.00 0.00 C ATOM 673 CG ARG A 46 6.812 8.499 16.352 1.00 0.00 C ATOM 674 CD ARG A 46 7.006 6.993 16.277 1.00 0.00 C ATOM 675 NE ARG A 46 7.720 6.472 17.439 1.00 0.00 N ATOM 676 CZ ARG A 46 7.728 5.188 17.791 1.00 0.00 C ATOM 677 NH1 ARG A 46 7.066 4.291 17.070 1.00 0.00 N ATOM 678 NH2 ARG A 46 8.400 4.798 18.866 1.00 0.00 N ATOM 0 H ARG A 46 7.325 10.910 13.528 1.00 0.00 H new ATOM 0 HA ARG A 46 8.487 8.499 14.461 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.308 10.160 15.098 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.565 8.648 14.617 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.716 8.964 16.746 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.006 8.728 17.049 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.034 6.506 16.201 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.559 6.744 15.371 1.00 0.00 H new ATOM 0 HE ARG A 46 8.244 7.131 18.015 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.548 4.584 16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.076 3.309 17.344 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.911 5.482 19.424 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.405 3.814 19.135 1.00 0.00 H new ATOM 692 N PHE A 47 6.702 8.298 11.766 1.00 0.00 N ATOM 693 CA PHE A 47 6.242 7.400 10.706 1.00 0.00 C ATOM 694 C PHE A 47 7.206 6.233 10.495 1.00 0.00 C ATOM 695 O PHE A 47 6.781 5.091 10.312 1.00 0.00 O ATOM 696 CB PHE A 47 6.077 8.169 9.393 1.00 0.00 C ATOM 697 CG PHE A 47 5.313 9.455 9.538 1.00 0.00 C ATOM 698 CD1 PHE A 47 3.929 9.459 9.515 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.981 10.659 9.696 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.223 10.640 9.648 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.281 11.843 9.829 1.00 0.00 C ATOM 702 CZ PHE A 47 3.899 11.833 9.805 1.00 0.00 C ATOM 0 H PHE A 47 6.639 9.289 11.535 1.00 0.00 H new ATOM 0 HA PHE A 47 5.279 6.995 11.018 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.063 8.387 8.983 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.566 7.532 8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.395 8.529 9.392 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.061 10.672 9.715 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.143 10.629 9.629 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.813 12.775 9.952 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.349 12.757 9.909 1.00 0.00 H new ATOM 712 N GLN A 48 8.502 6.523 10.519 1.00 0.00 N ATOM 713 CA GLN A 48 9.514 5.492 10.324 1.00 0.00 C ATOM 714 C GLN A 48 9.578 4.546 11.522 1.00 0.00 C ATOM 715 O GLN A 48 9.506 3.326 11.367 1.00 0.00 O ATOM 716 CB GLN A 48 10.885 6.134 10.089 1.00 0.00 C ATOM 717 CG GLN A 48 11.534 5.724 8.778 1.00 0.00 C ATOM 718 CD GLN A 48 12.615 4.679 8.964 1.00 0.00 C ATOM 719 OE1 GLN A 48 12.219 3.410 8.953 1.00 0.00 O flip ATOM 720 NE2 GLN A 48 13.792 5.004 9.114 1.00 0.00 N flip ATOM 0 H GLN A 48 8.875 7.460 10.671 1.00 0.00 H new ATOM 0 HA GLN A 48 9.235 4.909 9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.777 7.218 10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.548 5.866 10.912 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.770 5.335 8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.963 6.604 8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.052 5.990 9.116 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.507 4.287 9.236 1.00 0.00 H new ATOM 729 N GLN A 49 9.714 5.113 12.716 1.00 0.00 N ATOM 730 CA GLN A 49 9.791 4.316 13.937 1.00 0.00 C ATOM 731 C GLN A 49 8.553 3.438 14.093 1.00 0.00 C ATOM 732 O GLN A 49 8.658 2.232 14.315 1.00 0.00 O ATOM 733 CB GLN A 49 9.939 5.228 15.157 1.00 0.00 C ATOM 734 CG GLN A 49 10.877 4.675 16.218 1.00 0.00 C ATOM 735 CD GLN A 49 11.941 5.671 16.632 1.00 0.00 C ATOM 736 OE1 GLN A 49 12.759 6.099 15.817 1.00 0.00 O ATOM 737 NE2 GLN A 49 11.937 6.045 17.905 1.00 0.00 N ATOM 0 H GLN A 49 9.773 6.120 12.865 1.00 0.00 H new ATOM 0 HA GLN A 49 10.666 3.670 13.865 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.306 6.201 14.831 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.957 5.390 15.601 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.297 4.383 17.094 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.357 3.773 15.839 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.241 5.665 18.546 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.630 6.713 18.243 1.00 0.00 H new ATOM 746 N ILE A 50 7.381 4.051 13.967 1.00 0.00 N ATOM 747 CA ILE A 50 6.123 3.330 14.086 1.00 0.00 C ATOM 748 C ILE A 50 6.044 2.214 13.051 1.00 0.00 C ATOM 749 O ILE A 50 5.544 1.125 13.331 1.00 0.00 O ATOM 750 CB ILE A 50 4.914 4.281 13.927 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.628 3.606 14.414 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.771 4.745 12.483 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.130 2.500 13.508 1.00 0.00 C ATOM 0 H ILE A 50 7.278 5.049 13.782 1.00 0.00 H new ATOM 0 HA ILE A 50 6.087 2.893 15.084 1.00 0.00 H new ATOM 0 HB ILE A 50 5.092 5.161 14.545 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.800 3.196 15.409 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.848 4.361 14.510 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.913 5.413 12.399 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.674 5.274 12.180 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.623 3.880 11.836 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.217 2.074 13.923 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.924 2.906 12.518 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.891 1.723 13.431 1.00 0.00 H new ATOM 765 N TYR A 51 6.556 2.493 11.855 1.00 0.00 N ATOM 766 CA TYR A 51 6.558 1.510 10.780 1.00 0.00 C ATOM 767 C TYR A 51 7.309 0.255 11.212 1.00 0.00 C ATOM 768 O TYR A 51 6.879 -0.867 10.940 1.00 0.00 O ATOM 769 CB TYR A 51 7.197 2.103 9.518 1.00 0.00 C ATOM 770 CG TYR A 51 7.524 1.074 8.456 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.520 0.333 7.847 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.837 0.843 8.068 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.816 -0.611 6.881 1.00 0.00 C ATOM 774 CE2 TYR A 51 9.141 -0.097 7.102 1.00 0.00 C ATOM 775 CZ TYR A 51 8.127 -0.821 6.511 1.00 0.00 C ATOM 776 OH TYR A 51 8.426 -1.759 5.551 1.00 0.00 O ATOM 0 H TYR A 51 6.974 3.390 11.608 1.00 0.00 H new ATOM 0 HA TYR A 51 5.527 1.239 10.554 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.521 2.846 9.095 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.111 2.627 9.797 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.491 0.497 8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.634 1.408 8.529 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.024 -1.181 6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.168 -0.264 6.811 1.00 0.00 H new ATOM 0 HH TYR A 51 8.807 -2.555 5.978 1.00 0.00 H new ATOM 786 N TYR A 52 8.431 0.457 11.890 1.00 0.00 N ATOM 787 CA TYR A 52 9.250 -0.649 12.369 1.00 0.00 C ATOM 788 C TYR A 52 8.536 -1.424 13.473 1.00 0.00 C ATOM 789 O TYR A 52 8.683 -2.641 13.582 1.00 0.00 O ATOM 790 CB TYR A 52 10.596 -0.129 12.881 1.00 0.00 C ATOM 791 CG TYR A 52 11.707 -0.217 11.859 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.003 -1.418 11.229 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.462 0.902 11.530 1.00 0.00 C ATOM 794 CE1 TYR A 52 13.020 -1.503 10.297 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.480 0.826 10.597 1.00 0.00 C ATOM 796 CZ TYR A 52 13.755 -0.378 9.984 1.00 0.00 C ATOM 797 OH TYR A 52 14.768 -0.458 9.057 1.00 0.00 O ATOM 0 H TYR A 52 8.796 1.381 12.122 1.00 0.00 H new ATOM 0 HA TYR A 52 9.423 -1.327 11.533 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.481 0.909 13.191 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.882 -0.696 13.766 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.429 -2.300 11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.251 1.846 12.010 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.238 -2.445 9.816 1.00 0.00 H new ATOM 0 HE2 TYR A 52 14.057 1.705 10.350 1.00 0.00 H new ATOM 0 HH TYR A 52 15.185 0.422 8.951 1.00 0.00 H new ATOM 807 N ALA A 53 7.771 -0.713 14.293 1.00 0.00 N ATOM 808 CA ALA A 53 7.044 -1.339 15.391 1.00 0.00 C ATOM 809 C ALA A 53 5.943 -2.256 14.874 1.00 0.00 C ATOM 810 O ALA A 53 5.863 -3.424 15.255 1.00 0.00 O ATOM 811 CB ALA A 53 6.462 -0.278 16.312 1.00 0.00 C ATOM 0 H ALA A 53 7.638 0.296 14.219 1.00 0.00 H new ATOM 0 HA ALA A 53 7.749 -1.949 15.956 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.922 -0.760 17.127 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.268 0.331 16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.778 0.357 15.749 1.00 0.00 H new ATOM 817 N TYR A 54 5.099 -1.721 14.004 1.00 0.00 N ATOM 818 CA TYR A 54 4.002 -2.494 13.430 1.00 0.00 C ATOM 819 C TYR A 54 4.494 -3.413 12.308 1.00 0.00 C ATOM 820 O TYR A 54 3.713 -4.161 11.722 1.00 0.00 O ATOM 821 CB TYR A 54 2.890 -1.556 12.931 1.00 0.00 C ATOM 822 CG TYR A 54 2.925 -1.260 11.444 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.381 -2.150 10.526 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.497 -0.089 10.964 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.407 -1.882 9.172 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.526 0.185 9.610 1.00 0.00 C ATOM 827 CZ TYR A 54 2.980 -0.714 8.719 1.00 0.00 C ATOM 828 OH TYR A 54 3.008 -0.443 7.370 1.00 0.00 O ATOM 0 H TYR A 54 5.151 -0.756 13.679 1.00 0.00 H new ATOM 0 HA TYR A 54 3.589 -3.130 14.213 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.924 -1.998 13.176 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.957 -0.614 13.476 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.930 -3.066 10.878 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.925 0.618 11.659 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.980 -2.584 8.471 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.975 1.100 9.251 1.00 0.00 H new ATOM 0 HH TYR A 54 3.446 0.421 7.219 1.00 0.00 H new ATOM 838 N ARG A 55 5.795 -3.357 12.014 1.00 0.00 N ATOM 839 CA ARG A 55 6.380 -4.186 10.965 1.00 0.00 C ATOM 840 C ARG A 55 6.041 -5.658 11.181 1.00 0.00 C ATOM 841 O ARG A 55 5.907 -6.422 10.225 1.00 0.00 O ATOM 842 CB ARG A 55 7.898 -4.000 10.934 1.00 0.00 C ATOM 843 CG ARG A 55 8.512 -4.201 9.557 1.00 0.00 C ATOM 844 CD ARG A 55 8.616 -5.676 9.199 1.00 0.00 C ATOM 845 NE ARG A 55 9.108 -6.483 10.314 1.00 0.00 N ATOM 846 CZ ARG A 55 10.368 -6.464 10.743 1.00 0.00 C ATOM 847 NH1 ARG A 55 11.265 -5.681 10.157 1.00 0.00 N ATOM 848 NH2 ARG A 55 10.731 -7.231 11.763 1.00 0.00 N ATOM 0 H ARG A 55 6.460 -2.746 12.488 1.00 0.00 H new ATOM 0 HA ARG A 55 5.960 -3.873 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.139 -2.997 11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.355 -4.702 11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.907 -3.687 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.504 -3.749 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.637 -6.043 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.283 -5.794 8.345 1.00 0.00 H new ATOM 0 HE ARG A 55 8.447 -7.096 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.991 -5.089 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.229 -5.671 10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.045 -7.834 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.696 -7.218 12.093 1.00 0.00 H new ATOM 862 N SER A 56 5.898 -6.048 12.443 1.00 0.00 N ATOM 863 CA SER A 56 5.570 -7.426 12.782 1.00 0.00 C ATOM 864 C SER A 56 4.196 -7.812 12.238 1.00 0.00 C ATOM 865 O SER A 56 3.891 -8.994 12.078 1.00 0.00 O ATOM 866 CB SER A 56 5.603 -7.622 14.299 1.00 0.00 C ATOM 867 OG SER A 56 6.928 -7.828 14.758 1.00 0.00 O ATOM 0 H SER A 56 6.004 -5.429 13.247 1.00 0.00 H new ATOM 0 HA SER A 56 6.317 -8.073 12.321 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.176 -6.748 14.791 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.983 -8.476 14.572 1.00 0.00 H new ATOM 0 HG SER A 56 6.922 -7.949 15.731 1.00 0.00 H new ATOM 873 N VAL A 57 3.367 -6.808 11.956 1.00 0.00 N ATOM 874 CA VAL A 57 2.027 -7.048 11.434 1.00 0.00 C ATOM 875 C VAL A 57 2.057 -7.335 9.937 1.00 0.00 C ATOM 876 O VAL A 57 1.883 -8.477 9.513 1.00 0.00 O ATOM 877 CB VAL A 57 1.098 -5.847 11.695 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.318 -6.146 11.221 1.00 0.00 C ATOM 879 CG2 VAL A 57 1.106 -5.481 13.167 1.00 0.00 C ATOM 0 H VAL A 57 3.601 -5.823 12.081 1.00 0.00 H new ATOM 0 HA VAL A 57 1.639 -7.921 11.959 1.00 0.00 H new ATOM 0 HB VAL A 57 1.471 -4.995 11.127 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.956 -5.284 11.415 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.307 -6.356 10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.706 -7.013 11.757 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.445 -4.631 13.334 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.760 -6.331 13.755 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.119 -5.218 13.471 1.00 0.00 H new ATOM 889 N TRP A 58 2.272 -6.292 9.141 1.00 0.00 N ATOM 890 CA TRP A 58 2.314 -6.439 7.694 1.00 0.00 C ATOM 891 C TRP A 58 3.651 -5.967 7.129 1.00 0.00 C ATOM 892 O TRP A 58 4.363 -5.189 7.762 1.00 0.00 O ATOM 893 CB TRP A 58 1.169 -5.653 7.052 1.00 0.00 C ATOM 894 CG TRP A 58 0.528 -6.367 5.902 1.00 0.00 C ATOM 895 CD1 TRP A 58 0.273 -5.855 4.662 1.00 0.00 C ATOM 896 CD2 TRP A 58 0.057 -7.719 5.884 1.00 0.00 C ATOM 897 NE1 TRP A 58 -0.328 -6.807 3.873 1.00 0.00 N ATOM 898 CE2 TRP A 58 -0.471 -7.960 4.602 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.032 -8.750 6.827 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -1.017 -9.188 4.238 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -0.511 -9.969 6.466 1.00 0.00 C ATOM 902 CH2 TRP A 58 -1.030 -10.179 5.182 1.00 0.00 C ATOM 0 H TRP A 58 2.419 -5.339 9.474 1.00 0.00 H new ATOM 0 HA TRP A 58 2.201 -7.497 7.460 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.412 -5.445 7.808 1.00 0.00 H new ATOM 0 HB3 TRP A 58 1.547 -4.691 6.707 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.509 -4.849 4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.620 -6.677 2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.430 -8.597 7.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.415 -9.352 3.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.535 -10.773 7.186 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.449 -11.142 4.932 1.00 0.00 H new ATOM 913 N HIS A 59 3.984 -6.444 5.932 1.00 0.00 N ATOM 914 CA HIS A 59 5.233 -6.071 5.277 1.00 0.00 C ATOM 915 C HIS A 59 6.434 -6.368 6.174 1.00 0.00 C ATOM 916 O HIS A 59 6.915 -5.491 6.891 1.00 0.00 O ATOM 917 CB HIS A 59 5.215 -4.587 4.905 1.00 0.00 C ATOM 918 CG HIS A 59 4.436 -4.293 3.661 1.00 0.00 C ATOM 919 ND1 HIS A 59 4.763 -4.814 2.427 1.00 0.00 N ATOM 920 CD2 HIS A 59 3.338 -3.525 3.465 1.00 0.00 C ATOM 921 CE1 HIS A 59 3.900 -4.379 1.525 1.00 0.00 C ATOM 922 NE2 HIS A 59 3.026 -3.596 2.130 1.00 0.00 N ATOM 0 H HIS A 59 3.405 -7.090 5.396 1.00 0.00 H new ATOM 0 HA HIS A 59 5.327 -6.666 4.369 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.791 -4.018 5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.240 -4.241 4.773 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.807 -2.962 4.218 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.908 -4.623 0.473 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.245 -3.120 1.678 1.00 0.00 H new ATOM 931 N PRO A 60 6.934 -7.616 6.146 1.00 0.00 N ATOM 932 CA PRO A 60 8.081 -8.026 6.961 1.00 0.00 C ATOM 933 C PRO A 60 9.401 -7.438 6.463 1.00 0.00 C ATOM 934 O PRO A 60 10.420 -7.519 7.147 1.00 0.00 O ATOM 935 CB PRO A 60 8.089 -9.549 6.817 1.00 0.00 C ATOM 936 CG PRO A 60 7.448 -9.805 5.497 1.00 0.00 C ATOM 937 CD PRO A 60 6.418 -8.723 5.317 1.00 0.00 C ATOM 0 HA PRO A 60 7.990 -7.677 7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.104 -9.945 6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.536 -10.027 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.185 -9.779 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.985 -10.792 5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.321 -8.430 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.432 -9.048 5.649 1.00 0.00 H new ATOM 945 N ALA A 61 9.377 -6.848 5.272 1.00 0.00 N ATOM 946 CA ALA A 61 10.575 -6.253 4.693 1.00 0.00 C ATOM 947 C ALA A 61 10.540 -4.730 4.793 1.00 0.00 C ATOM 948 O ALA A 61 9.474 -4.133 4.941 1.00 0.00 O ATOM 949 CB ALA A 61 10.728 -6.685 3.241 1.00 0.00 C ATOM 0 H ALA A 61 8.543 -6.770 4.691 1.00 0.00 H new ATOM 0 HA ALA A 61 11.436 -6.606 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.626 -6.234 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.810 -7.771 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.858 -6.360 2.671 1.00 0.00 H new ATOM 955 N ARG A 62 11.714 -4.111 4.711 1.00 0.00 N ATOM 956 CA ARG A 62 11.819 -2.659 4.790 1.00 0.00 C ATOM 957 C ARG A 62 11.172 -2.001 3.576 1.00 0.00 C ATOM 958 O ARG A 62 11.270 -2.509 2.459 1.00 0.00 O ATOM 959 CB ARG A 62 13.287 -2.239 4.891 1.00 0.00 C ATOM 960 CG ARG A 62 14.061 -2.983 5.966 1.00 0.00 C ATOM 961 CD ARG A 62 15.237 -2.164 6.472 1.00 0.00 C ATOM 962 NE ARG A 62 15.645 -2.566 7.818 1.00 0.00 N ATOM 963 CZ ARG A 62 16.399 -3.631 8.077 1.00 0.00 C ATOM 964 NH1 ARG A 62 16.828 -4.407 7.088 1.00 0.00 N ATOM 965 NH2 ARG A 62 16.726 -3.922 9.328 1.00 0.00 N ATOM 0 H ARG A 62 12.605 -4.592 4.590 1.00 0.00 H new ATOM 0 HA ARG A 62 11.291 -2.328 5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.770 -2.403 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.337 -1.169 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.396 -3.219 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.421 -3.931 5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.079 -2.278 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.969 -1.108 6.475 1.00 0.00 H new ATOM 0 HE ARG A 62 15.333 -1.996 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.580 -4.188 6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.406 -5.222 7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.400 -3.330 10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.304 -4.738 9.527 1.00 0.00 H new ATOM 979 N THR A 63 10.509 -0.871 3.801 1.00 0.00 N ATOM 980 CA THR A 63 9.843 -0.149 2.723 1.00 0.00 C ATOM 981 C THR A 63 9.229 1.150 3.229 1.00 0.00 C ATOM 982 O THR A 63 8.056 1.431 2.986 1.00 0.00 O ATOM 983 CB THR A 63 8.772 -1.033 2.079 1.00 0.00 C ATOM 984 OG1 THR A 63 8.268 -0.431 0.901 1.00 0.00 O ATOM 985 CG2 THR A 63 7.597 -1.324 2.990 1.00 0.00 C ATOM 0 H THR A 63 10.419 -0.436 4.719 1.00 0.00 H new ATOM 0 HA THR A 63 10.590 0.105 1.971 1.00 0.00 H new ATOM 0 HB THR A 63 9.274 -1.975 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.696 -0.836 0.118 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.879 -1.955 2.467 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.949 -1.839 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.117 -0.388 3.275 1.00 0.00 H new ATOM 993 N VAL A 64 10.034 1.955 3.922 1.00 0.00 N ATOM 994 CA VAL A 64 9.560 3.234 4.441 1.00 0.00 C ATOM 995 C VAL A 64 8.881 4.028 3.330 1.00 0.00 C ATOM 996 O VAL A 64 7.916 4.757 3.570 1.00 0.00 O ATOM 997 CB VAL A 64 10.709 4.066 5.046 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.205 5.424 5.517 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.360 3.309 6.193 1.00 0.00 C ATOM 0 H VAL A 64 11.009 1.745 4.135 1.00 0.00 H new ATOM 0 HA VAL A 64 8.843 3.023 5.235 1.00 0.00 H new ATOM 0 HB VAL A 64 11.457 4.234 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.033 5.993 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.784 5.969 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.436 5.283 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.169 3.908 6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.618 3.112 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.760 2.364 5.825 1.00 0.00 H new ATOM 1009 N SER A 65 9.377 3.857 2.108 1.00 0.00 N ATOM 1010 CA SER A 65 8.801 4.533 0.956 1.00 0.00 C ATOM 1011 C SER A 65 7.338 4.139 0.822 1.00 0.00 C ATOM 1012 O SER A 65 6.468 4.982 0.592 1.00 0.00 O ATOM 1013 CB SER A 65 9.565 4.173 -0.320 1.00 0.00 C ATOM 1014 OG SER A 65 10.802 4.861 -0.386 1.00 0.00 O ATOM 0 H SER A 65 10.174 3.258 1.893 1.00 0.00 H new ATOM 0 HA SER A 65 8.876 5.611 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.741 3.098 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.960 4.422 -1.192 1.00 0.00 H new ATOM 0 HG SER A 65 11.271 4.612 -1.210 1.00 0.00 H new ATOM 1020 N GLN A 66 7.070 2.850 1.001 1.00 0.00 N ATOM 1021 CA GLN A 66 5.708 2.348 0.930 1.00 0.00 C ATOM 1022 C GLN A 66 4.869 3.007 2.016 1.00 0.00 C ATOM 1023 O GLN A 66 3.699 3.329 1.809 1.00 0.00 O ATOM 1024 CB GLN A 66 5.675 0.828 1.087 1.00 0.00 C ATOM 1025 CG GLN A 66 5.723 0.079 -0.233 1.00 0.00 C ATOM 1026 CD GLN A 66 5.280 -1.365 -0.101 1.00 0.00 C ATOM 1027 OE1 GLN A 66 4.131 -1.645 0.237 1.00 0.00 O ATOM 1028 NE2 GLN A 66 6.194 -2.291 -0.367 1.00 0.00 N ATOM 0 H GLN A 66 7.776 2.139 1.195 1.00 0.00 H new ATOM 0 HA GLN A 66 5.296 2.593 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.519 0.516 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.768 0.546 1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.085 0.586 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.739 0.109 -0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.136 -2.013 -0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.954 -3.280 -0.294 1.00 0.00 H new ATOM 1037 N LEU A 67 5.492 3.225 3.174 1.00 0.00 N ATOM 1038 CA LEU A 67 4.822 3.868 4.296 1.00 0.00 C ATOM 1039 C LEU A 67 4.231 5.192 3.853 1.00 0.00 C ATOM 1040 O LEU A 67 3.053 5.471 4.073 1.00 0.00 O ATOM 1041 CB LEU A 67 5.804 4.090 5.450 1.00 0.00 C ATOM 1042 CG LEU A 67 5.161 4.313 6.818 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.275 5.549 6.798 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.361 3.090 7.235 1.00 0.00 C ATOM 0 H LEU A 67 6.461 2.964 3.356 1.00 0.00 H new ATOM 0 HA LEU A 67 4.020 3.218 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.466 3.226 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.427 4.953 5.214 1.00 0.00 H new ATOM 0 HG LEU A 67 5.954 4.472 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.826 5.691 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.875 6.423 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.488 5.420 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.910 3.266 8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.577 2.901 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.022 2.225 7.291 1.00 0.00 H new ATOM 1056 N TYR A 68 5.057 5.995 3.200 1.00 0.00 N ATOM 1057 CA TYR A 68 4.615 7.280 2.693 1.00 0.00 C ATOM 1058 C TYR A 68 3.533 7.070 1.641 1.00 0.00 C ATOM 1059 O TYR A 68 2.665 7.919 1.450 1.00 0.00 O ATOM 1060 CB TYR A 68 5.794 8.053 2.099 1.00 0.00 C ATOM 1061 CG TYR A 68 6.680 8.706 3.137 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.998 8.052 4.322 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.202 9.977 2.931 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.807 8.646 5.271 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.014 10.577 3.876 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.314 9.908 5.043 1.00 0.00 C ATOM 1067 OH TYR A 68 9.120 10.503 5.985 1.00 0.00 O ATOM 0 H TYR A 68 6.035 5.778 3.010 1.00 0.00 H new ATOM 0 HA TYR A 68 4.203 7.865 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.396 7.373 1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.411 8.821 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.606 7.062 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.970 10.505 2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.041 8.125 6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.411 11.566 3.700 1.00 0.00 H new ATOM 0 HH TYR A 68 9.685 9.823 6.409 1.00 0.00 H new ATOM 1077 N ASP A 69 3.595 5.923 0.962 1.00 0.00 N ATOM 1078 CA ASP A 69 2.620 5.592 -0.071 1.00 0.00 C ATOM 1079 C ASP A 69 1.227 5.413 0.516 1.00 0.00 C ATOM 1080 O ASP A 69 0.264 6.007 0.030 1.00 0.00 O ATOM 1081 CB ASP A 69 3.043 4.324 -0.817 1.00 0.00 C ATOM 1082 CG ASP A 69 2.384 4.208 -2.178 1.00 0.00 C ATOM 1083 OD1 ASP A 69 1.236 4.679 -2.325 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.016 3.645 -3.097 1.00 0.00 O ATOM 0 H ASP A 69 4.310 5.211 1.111 1.00 0.00 H new ATOM 0 HA ASP A 69 2.586 6.425 -0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.126 4.322 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.788 3.450 -0.217 1.00 0.00 H new ATOM 1089 N HIS A 70 1.116 4.615 1.573 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.183 4.407 2.212 1.00 0.00 C ATOM 1091 C HIS A 70 -0.543 5.631 3.035 1.00 0.00 C ATOM 1092 O HIS A 70 -1.718 5.947 3.229 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.219 3.155 3.101 1.00 0.00 C ATOM 1094 CG HIS A 70 0.993 2.285 3.018 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.010 2.338 3.943 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.343 1.328 2.128 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.934 1.454 3.627 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.556 0.824 2.529 1.00 0.00 N ATOM 0 H HIS A 70 1.892 4.109 2.000 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.912 4.252 1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.353 3.467 4.137 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.093 2.562 2.831 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.043 2.964 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.775 1.018 1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.848 1.274 4.174 1.00 0.00 H new ATOM 1107 N TRP A 71 0.484 6.324 3.508 1.00 0.00 N ATOM 1108 CA TRP A 71 0.296 7.524 4.302 1.00 0.00 C ATOM 1109 C TRP A 71 -0.252 8.653 3.433 1.00 0.00 C ATOM 1110 O TRP A 71 -1.072 9.454 3.883 1.00 0.00 O ATOM 1111 CB TRP A 71 1.620 7.932 4.945 1.00 0.00 C ATOM 1112 CG TRP A 71 1.511 9.154 5.804 1.00 0.00 C ATOM 1113 CD1 TRP A 71 2.307 10.263 5.757 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.549 9.396 6.837 1.00 0.00 C ATOM 1115 NE1 TRP A 71 1.900 11.178 6.697 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.821 10.668 7.373 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.517 8.659 7.362 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 0.067 11.218 8.406 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -1.265 9.206 8.387 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -0.970 10.476 8.900 1.00 0.00 C ATOM 0 H TRP A 71 1.460 6.071 3.353 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.427 7.320 5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.993 7.104 5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.356 8.112 4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 71 3.136 10.400 5.079 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.330 12.088 6.865 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.752 7.679 6.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.293 12.196 8.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.091 8.645 8.800 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.573 10.877 9.701 1.00 0.00 H new ATOM 1131 N ARG A 72 0.196 8.698 2.179 1.00 0.00 N ATOM 1132 CA ARG A 72 -0.267 9.721 1.248 1.00 0.00 C ATOM 1133 C ARG A 72 -1.690 9.416 0.798 1.00 0.00 C ATOM 1134 O ARG A 72 -2.522 10.316 0.677 1.00 0.00 O ATOM 1135 CB ARG A 72 0.664 9.809 0.035 1.00 0.00 C ATOM 1136 CG ARG A 72 1.454 11.107 -0.030 1.00 0.00 C ATOM 1137 CD ARG A 72 2.931 10.852 -0.283 1.00 0.00 C ATOM 1138 NE ARG A 72 3.172 10.307 -1.617 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.107 11.026 -2.735 1.00 0.00 C ATOM 1140 NH1 ARG A 72 2.807 12.318 -2.685 1.00 0.00 N ATOM 1141 NH2 ARG A 72 3.340 10.452 -3.908 1.00 0.00 N ATOM 0 H ARG A 72 0.873 8.043 1.788 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.257 10.683 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.360 8.970 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.073 9.707 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.052 11.739 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.334 11.654 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.485 11.784 -0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.313 10.158 0.466 1.00 0.00 H new ATOM 0 HE ARG A 72 3.404 9.317 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.625 12.765 -1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.759 12.864 -3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.569 9.459 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.290 11.004 -4.765 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.961 8.139 0.558 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.285 7.729 0.134 1.00 0.00 C ATOM 1157 C GLY A 73 -4.312 7.892 1.235 1.00 0.00 C ATOM 1158 O GLY A 73 -5.485 8.152 0.968 1.00 0.00 O ATOM 0 H GLY A 73 -1.286 7.380 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.586 8.318 -0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.257 6.687 -0.183 1.00 0.00 H new ATOM 1162 N THR A 74 -3.866 7.745 2.480 1.00 0.00 N ATOM 1163 CA THR A 74 -4.750 7.884 3.630 1.00 0.00 C ATOM 1164 C THR A 74 -5.131 9.346 3.839 1.00 0.00 C ATOM 1165 O THR A 74 -6.298 9.668 4.059 1.00 0.00 O ATOM 1166 CB THR A 74 -4.076 7.334 4.888 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.709 5.977 4.708 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.952 7.413 6.121 1.00 0.00 C ATOM 0 H THR A 74 -2.897 7.530 2.716 1.00 0.00 H new ATOM 0 HA THR A 74 -5.657 7.311 3.436 1.00 0.00 H new ATOM 0 HB THR A 74 -3.200 7.963 5.044 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.831 5.930 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.413 7.006 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.212 8.453 6.317 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.862 6.836 5.958 1.00 0.00 H new ATOM 1176 N LEU A 75 -4.137 10.227 3.768 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.368 11.656 3.944 1.00 0.00 C ATOM 1178 C LEU A 75 -5.386 12.168 2.928 1.00 0.00 C ATOM 1179 O LEU A 75 -6.213 13.025 3.241 1.00 0.00 O ATOM 1180 CB LEU A 75 -3.052 12.426 3.804 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.817 13.509 4.859 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -3.768 14.677 4.648 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -2.976 12.934 6.259 1.00 0.00 C ATOM 0 H LEU A 75 -3.165 9.976 3.590 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.768 11.818 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.227 11.715 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.024 12.889 2.818 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.796 13.876 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.585 15.437 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.604 15.106 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.797 14.327 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.805 13.719 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.985 12.538 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.252 12.133 6.408 1.00 0.00 H new ATOM 1195 N ARG A 76 -5.320 11.635 1.713 1.00 0.00 N ATOM 1196 CA ARG A 76 -6.236 12.034 0.652 1.00 0.00 C ATOM 1197 C ARG A 76 -7.490 11.165 0.663 1.00 0.00 C ATOM 1198 O ARG A 76 -7.545 10.129 -0.002 1.00 0.00 O ATOM 1199 CB ARG A 76 -5.547 11.937 -0.711 1.00 0.00 C ATOM 1200 CG ARG A 76 -5.903 13.073 -1.655 1.00 0.00 C ATOM 1201 CD ARG A 76 -5.056 14.306 -1.386 1.00 0.00 C ATOM 1202 NE ARG A 76 -3.779 14.259 -2.096 1.00 0.00 N ATOM 1203 CZ ARG A 76 -3.662 14.360 -3.418 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -4.740 14.510 -4.177 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -2.463 14.311 -3.983 1.00 0.00 N ATOM 0 H ARG A 76 -4.641 10.925 1.439 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.529 13.069 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.467 11.924 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.816 10.990 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.760 12.749 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.958 13.323 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.606 15.197 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.872 14.393 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.928 14.142 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.665 14.548 -3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.644 14.587 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.631 14.196 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.373 14.388 -4.996 1.00 0.00 H new ATOM 1219 N TYR A 77 -8.493 11.591 1.422 1.00 0.00 N ATOM 1220 CA TYR A 77 -9.745 10.851 1.522 1.00 0.00 C ATOM 1221 C TYR A 77 -10.507 10.886 0.201 1.00 0.00 C ATOM 1222 O TYR A 77 -10.457 11.875 -0.530 1.00 0.00 O ATOM 1223 CB TYR A 77 -10.615 11.427 2.641 1.00 0.00 C ATOM 1224 CG TYR A 77 -10.038 11.221 4.023 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -9.908 9.946 4.560 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -9.622 12.302 4.791 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -9.382 9.755 5.823 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -9.094 12.117 6.055 1.00 0.00 C ATOM 1229 CZ TYR A 77 -8.977 10.843 6.567 1.00 0.00 C ATOM 1230 OH TYR A 77 -8.452 10.656 7.825 1.00 0.00 O ATOM 0 H TYR A 77 -8.463 12.446 1.978 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.506 9.813 1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.753 12.495 2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.602 10.967 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.223 9.091 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.713 13.302 4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.288 8.757 6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.774 12.967 6.639 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.216 11.524 8.213 1.00 0.00 H new ATOM 1240 N LYS A 78 -11.214 9.800 -0.096 1.00 0.00 N ATOM 1241 CA LYS A 78 -11.990 9.705 -1.327 1.00 0.00 C ATOM 1242 C LYS A 78 -13.322 9.005 -1.077 1.00 0.00 C ATOM 1243 O LYS A 78 -13.536 7.876 -1.521 1.00 0.00 O ATOM 1244 CB LYS A 78 -11.196 8.952 -2.398 1.00 0.00 C ATOM 1245 CG LYS A 78 -10.299 9.850 -3.235 1.00 0.00 C ATOM 1246 CD LYS A 78 -9.296 9.038 -4.040 1.00 0.00 C ATOM 1247 CE LYS A 78 -8.142 9.901 -4.523 1.00 0.00 C ATOM 1248 NZ LYS A 78 -8.582 10.909 -5.525 1.00 0.00 N ATOM 0 H LYS A 78 -11.265 8.973 0.499 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.193 10.716 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.584 8.189 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.892 8.433 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.910 10.449 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.768 10.545 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.911 8.223 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.796 8.585 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.689 10.409 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.373 9.265 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.765 11.476 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.992 10.424 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.297 11.532 -5.099 1.00 0.00 H new ATOM 1262 N VAL A 79 -14.214 9.681 -0.361 1.00 0.00 N ATOM 1263 CA VAL A 79 -15.524 9.123 -0.050 1.00 0.00 C ATOM 1264 C VAL A 79 -16.537 9.455 -1.141 1.00 0.00 C ATOM 1265 O VAL A 79 -17.440 8.667 -1.423 1.00 0.00 O ATOM 1266 CB VAL A 79 -16.051 9.648 1.298 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -15.192 9.137 2.443 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -16.103 11.168 1.295 1.00 0.00 C ATOM 0 H VAL A 79 -14.053 10.616 0.015 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.400 8.042 0.011 1.00 0.00 H new ATOM 0 HB VAL A 79 -17.065 9.274 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -15.580 9.519 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.213 8.047 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.166 9.478 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.478 11.521 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.102 11.566 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.766 11.508 0.500 1.00 0.00 H new ATOM 1278 N ILE A 80 -16.381 10.625 -1.751 1.00 0.00 N ATOM 1279 CA ILE A 80 -17.282 11.058 -2.812 1.00 0.00 C ATOM 1280 C ILE A 80 -16.816 10.550 -4.173 1.00 0.00 C ATOM 1281 O ILE A 80 -16.286 11.310 -4.984 1.00 0.00 O ATOM 1282 CB ILE A 80 -17.402 12.595 -2.862 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -16.014 13.240 -2.844 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -18.241 13.100 -1.697 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -16.006 14.668 -3.345 1.00 0.00 C ATOM 0 H ILE A 80 -15.640 11.290 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 80 -18.260 10.634 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 80 -17.899 12.874 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.625 13.218 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.337 12.644 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -18.316 14.186 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -19.239 12.664 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -17.770 12.811 -0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.991 15.062 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -16.365 14.695 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -16.657 15.277 -2.718 1.00 0.00 H new ATOM 1297 N GLN A 81 -17.015 9.259 -4.415 1.00 0.00 N ATOM 1298 CA GLN A 81 -16.616 8.648 -5.677 1.00 0.00 C ATOM 1299 C GLN A 81 -17.256 7.274 -5.844 1.00 0.00 C ATOM 1300 O GLN A 81 -17.315 6.486 -4.899 1.00 0.00 O ATOM 1301 CB GLN A 81 -15.092 8.527 -5.748 1.00 0.00 C ATOM 1302 CG GLN A 81 -14.519 8.853 -7.118 1.00 0.00 C ATOM 1303 CD GLN A 81 -13.388 9.860 -7.053 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -13.503 10.900 -6.404 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -12.284 9.556 -7.727 1.00 0.00 N ATOM 0 H GLN A 81 -17.450 8.616 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.962 9.289 -6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.648 9.195 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.803 7.512 -5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.158 7.936 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.312 9.244 -7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.231 8.683 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.489 10.196 -7.719 1.00 0.00 H new ATOM 1314 N GLN A 82 -17.736 6.991 -7.051 1.00 0.00 N ATOM 1315 CA GLN A 82 -18.373 5.711 -7.339 1.00 0.00 C ATOM 1316 C GLN A 82 -17.409 4.773 -8.058 1.00 0.00 C ATOM 1317 O GLN A 82 -16.696 5.182 -8.974 1.00 0.00 O ATOM 1318 CB GLN A 82 -19.628 5.921 -8.189 1.00 0.00 C ATOM 1319 CG GLN A 82 -20.764 6.598 -7.440 1.00 0.00 C ATOM 1320 CD GLN A 82 -22.045 6.655 -8.250 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -23.123 6.331 -7.752 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -21.932 7.066 -9.508 1.00 0.00 N ATOM 0 H GLN A 82 -17.696 7.630 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 82 -18.657 5.254 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -19.370 6.522 -9.061 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -19.972 4.955 -8.558 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -20.951 6.062 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -20.464 7.611 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -21.018 7.325 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -22.759 7.123 -10.102 1.00 0.00 H new ATOM 1331 N GLN A 83 -17.393 3.513 -7.637 1.00 0.00 N ATOM 1332 CA GLN A 83 -16.517 2.515 -8.240 1.00 0.00 C ATOM 1333 C GLN A 83 -17.286 1.235 -8.553 1.00 0.00 C ATOM 1334 O GLN A 83 -17.090 0.207 -7.906 1.00 0.00 O ATOM 1335 CB GLN A 83 -15.342 2.208 -7.309 1.00 0.00 C ATOM 1336 CG GLN A 83 -14.206 3.212 -7.412 1.00 0.00 C ATOM 1337 CD GLN A 83 -12.851 2.588 -7.144 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -12.142 2.991 -6.222 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -12.482 1.601 -7.952 1.00 0.00 N ATOM 0 H GLN A 83 -17.977 3.158 -6.880 1.00 0.00 H new ATOM 0 HA GLN A 83 -16.131 2.922 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -15.701 2.183 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -14.959 1.213 -7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.207 3.656 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.376 4.022 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.101 1.299 -8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.579 1.145 -7.821 1.00 0.00 H new ATOM 1348 N GLY A 84 -18.162 1.306 -9.551 1.00 0.00 N ATOM 1349 CA GLY A 84 -18.946 0.148 -9.934 1.00 0.00 C ATOM 1350 C GLY A 84 -20.434 0.441 -9.967 1.00 0.00 C ATOM 1351 O GLY A 84 -20.857 1.569 -9.715 1.00 0.00 O ATOM 0 H GLY A 84 -18.342 2.146 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -18.624 -0.196 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.754 -0.665 -9.234 1.00 0.00 H new ATOM 1355 N TYR A 85 -21.228 -0.578 -10.280 1.00 0.00 N ATOM 1356 CA TYR A 85 -22.678 -0.425 -10.345 1.00 0.00 C ATOM 1357 C TYR A 85 -23.352 -1.127 -9.171 1.00 0.00 C ATOM 1358 O TYR A 85 -23.164 -2.325 -8.960 1.00 0.00 O ATOM 1359 CB TYR A 85 -23.211 -0.984 -11.665 1.00 0.00 C ATOM 1360 CG TYR A 85 -23.069 -0.030 -12.830 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -21.924 -0.030 -13.616 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -24.080 0.869 -13.143 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -21.790 0.840 -14.681 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -23.954 1.742 -14.207 1.00 0.00 C ATOM 1365 CZ TYR A 85 -22.807 1.724 -14.972 1.00 0.00 C ATOM 1366 OH TYR A 85 -22.679 2.592 -16.032 1.00 0.00 O ATOM 0 H TYR A 85 -20.893 -1.518 -10.492 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.910 0.639 -10.289 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -22.683 -1.909 -11.897 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -24.263 -1.240 -11.543 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.125 -0.721 -13.391 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -24.979 0.886 -12.545 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -20.893 0.828 -15.282 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -24.750 2.435 -14.438 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.485 3.146 -16.100 1.00 0.00 H new ATOM 1376 N ARG A 86 -24.138 -0.371 -8.411 1.00 0.00 N ATOM 1377 CA ARG A 86 -24.842 -0.921 -7.257 1.00 0.00 C ATOM 1378 C ARG A 86 -26.289 -1.251 -7.610 1.00 0.00 C ATOM 1379 O ARG A 86 -26.912 -0.566 -8.419 1.00 0.00 O ATOM 1380 CB ARG A 86 -24.801 0.068 -6.090 1.00 0.00 C ATOM 1381 CG ARG A 86 -23.515 0.003 -5.283 1.00 0.00 C ATOM 1382 CD ARG A 86 -23.643 -0.949 -4.104 1.00 0.00 C ATOM 1383 NE ARG A 86 -24.734 -0.570 -3.210 1.00 0.00 N ATOM 1384 CZ ARG A 86 -24.697 0.488 -2.402 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -23.627 1.271 -2.374 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -25.733 0.761 -1.621 1.00 0.00 N ATOM 0 H ARG A 86 -24.304 0.622 -8.573 1.00 0.00 H new ATOM 0 HA ARG A 86 -24.340 -1.842 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -24.927 1.079 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -25.645 -0.128 -5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -22.697 -0.321 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -23.261 0.999 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -23.811 -1.961 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -22.706 -0.964 -3.547 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.573 -1.150 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.828 1.064 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.603 2.080 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -26.558 0.161 -1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -25.705 1.571 -1.002 1.00 0.00 H new ATOM 1400 N GLY A 87 -26.816 -2.306 -6.996 1.00 0.00 N ATOM 1401 CA GLY A 87 -28.186 -2.707 -7.256 1.00 0.00 C ATOM 1402 C GLY A 87 -28.284 -3.756 -8.347 1.00 0.00 C ATOM 1403 O GLY A 87 -28.874 -3.514 -9.400 1.00 0.00 O ATOM 0 H GLY A 87 -26.319 -2.890 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -28.628 -3.098 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -28.770 -1.832 -7.543 1.00 0.00 H new ATOM 1407 N LYS A 88 -27.705 -4.925 -8.094 1.00 0.00 N ATOM 1408 CA LYS A 88 -27.729 -6.016 -9.061 1.00 0.00 C ATOM 1409 C LYS A 88 -27.802 -7.367 -8.359 1.00 0.00 C ATOM 1410 O LYS A 88 -27.593 -7.460 -7.148 1.00 0.00 O ATOM 1411 CB LYS A 88 -26.489 -5.960 -9.956 1.00 0.00 C ATOM 1412 CG LYS A 88 -26.658 -6.693 -11.277 1.00 0.00 C ATOM 1413 CD LYS A 88 -25.599 -6.279 -12.285 1.00 0.00 C ATOM 1414 CE LYS A 88 -25.109 -7.465 -13.099 1.00 0.00 C ATOM 1415 NZ LYS A 88 -23.653 -7.375 -13.392 1.00 0.00 N ATOM 0 H LYS A 88 -27.213 -5.141 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 88 -28.620 -5.900 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -26.244 -4.917 -10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -25.643 -6.388 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -26.599 -7.768 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -27.648 -6.488 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.008 -5.522 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -24.758 -5.822 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -25.313 -8.387 -12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -25.665 -7.517 -14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.389 -8.116 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.437 -6.441 -13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.113 -7.505 -12.513 1.00 0.00 H new ATOM 1429 N ASN A 89 -28.099 -8.412 -9.124 1.00 0.00 N ATOM 1430 CA ASN A 89 -28.199 -9.758 -8.573 1.00 0.00 C ATOM 1431 C ASN A 89 -26.863 -10.486 -8.668 1.00 0.00 C ATOM 1432 O ASN A 89 -26.538 -11.079 -9.697 1.00 0.00 O ATOM 1433 CB ASN A 89 -29.279 -10.554 -9.309 1.00 0.00 C ATOM 1434 CG ASN A 89 -29.095 -10.524 -10.814 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -28.908 -9.462 -11.406 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -29.145 -11.696 -11.439 1.00 0.00 N ATOM 0 H ASN A 89 -28.275 -8.353 -10.127 1.00 0.00 H new ATOM 0 HA ASN A 89 -28.472 -9.673 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -29.263 -11.588 -8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -30.259 -10.150 -9.057 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -29.026 -11.740 -12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -29.302 -12.552 -10.907 1.00 0.00 H new ATOM 1443 N SER A 90 -26.088 -10.435 -7.588 1.00 0.00 N ATOM 1444 CA SER A 90 -24.786 -11.089 -7.549 1.00 0.00 C ATOM 1445 C SER A 90 -23.861 -10.525 -8.622 1.00 0.00 C ATOM 1446 O SER A 90 -23.728 -11.094 -9.706 1.00 0.00 O ATOM 1447 CB SER A 90 -24.943 -12.599 -7.739 1.00 0.00 C ATOM 1448 OG SER A 90 -24.009 -13.314 -6.950 1.00 0.00 O ATOM 0 H SER A 90 -26.340 -9.947 -6.729 1.00 0.00 H new ATOM 0 HA SER A 90 -24.341 -10.897 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 90 -25.956 -12.899 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 90 -24.805 -12.852 -8.790 1.00 0.00 H new ATOM 0 HG SER A 90 -24.132 -14.276 -7.089 1.00 0.00 H new ATOM 1454 N VAL A 91 -23.221 -9.401 -8.312 1.00 0.00 N ATOM 1455 CA VAL A 91 -22.308 -8.759 -9.250 1.00 0.00 C ATOM 1456 C VAL A 91 -20.937 -9.428 -9.228 1.00 0.00 C ATOM 1457 O VAL A 91 -20.390 -9.709 -8.162 1.00 0.00 O ATOM 1458 CB VAL A 91 -22.145 -7.257 -8.939 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -21.513 -7.054 -7.569 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -21.322 -6.573 -10.022 1.00 0.00 C ATOM 0 H VAL A 91 -23.318 -8.917 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 91 -22.745 -8.869 -10.243 1.00 0.00 H new ATOM 0 HB VAL A 91 -23.135 -6.801 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -21.408 -5.987 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -22.148 -7.504 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -20.530 -7.525 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -21.218 -5.514 -9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -20.335 -7.032 -10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -21.823 -6.682 -10.984 1.00 0.00 H new ATOM 1470 N ALA A 92 -20.388 -9.683 -10.411 1.00 0.00 N ATOM 1471 CA ALA A 92 -19.082 -10.320 -10.528 1.00 0.00 C ATOM 1472 C ALA A 92 -19.081 -11.695 -9.870 1.00 0.00 C ATOM 1473 O ALA A 92 -20.085 -12.123 -9.302 1.00 0.00 O ATOM 1474 CB ALA A 92 -18.008 -9.436 -9.910 1.00 0.00 C ATOM 0 H ALA A 92 -20.828 -9.458 -11.303 1.00 0.00 H new ATOM 0 HA ALA A 92 -18.863 -10.454 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.037 -9.923 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.984 -8.477 -10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -18.232 -9.274 -8.856 1.00 0.00 H new ATOM 1480 N ALA A 93 -17.947 -12.385 -9.952 1.00 0.00 N ATOM 1481 CA ALA A 93 -17.815 -13.712 -9.366 1.00 0.00 C ATOM 1482 C ALA A 93 -16.570 -13.805 -8.490 1.00 0.00 C ATOM 1483 O ALA A 93 -15.448 -13.854 -8.994 1.00 0.00 O ATOM 1484 CB ALA A 93 -17.775 -14.770 -10.459 1.00 0.00 C ATOM 0 H ALA A 93 -17.106 -12.045 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 93 -18.685 -13.891 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -17.676 -15.757 -10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.696 -14.728 -11.040 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.924 -14.584 -11.114 1.00 0.00 H new ATOM 1490 N ARG A 94 -16.776 -13.829 -7.178 1.00 0.00 N ATOM 1491 CA ARG A 94 -15.669 -13.918 -6.232 1.00 0.00 C ATOM 1492 C ARG A 94 -15.876 -15.073 -5.258 1.00 0.00 C ATOM 1493 O ARG A 94 -16.525 -14.917 -4.224 1.00 0.00 O ATOM 1494 CB ARG A 94 -15.524 -12.604 -5.462 1.00 0.00 C ATOM 1495 CG ARG A 94 -15.142 -11.423 -6.340 1.00 0.00 C ATOM 1496 CD ARG A 94 -14.179 -10.484 -5.629 1.00 0.00 C ATOM 1497 NE ARG A 94 -13.033 -10.138 -6.467 1.00 0.00 N ATOM 1498 CZ ARG A 94 -13.086 -9.274 -7.477 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -14.227 -8.665 -7.778 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -11.997 -9.016 -8.188 1.00 0.00 N ATOM 0 H ARG A 94 -17.699 -13.788 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.755 -14.104 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.465 -12.382 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.769 -12.729 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.684 -11.786 -7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.040 -10.876 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.706 -9.574 -5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.828 -10.953 -4.710 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.139 -10.586 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.068 -8.859 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.263 -8.003 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.118 -9.480 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.039 -8.353 -8.962 1.00 0.00 H new ATOM 1514 N SER A 95 -15.320 -16.232 -5.597 1.00 0.00 N ATOM 1515 CA SER A 95 -15.441 -17.419 -4.757 1.00 0.00 C ATOM 1516 C SER A 95 -16.899 -17.858 -4.639 1.00 0.00 C ATOM 1517 O SER A 95 -17.792 -17.029 -4.468 1.00 0.00 O ATOM 1518 CB SER A 95 -14.859 -17.147 -3.366 1.00 0.00 C ATOM 1519 OG SER A 95 -15.826 -16.564 -2.509 1.00 0.00 O ATOM 0 H SER A 95 -14.780 -16.375 -6.450 1.00 0.00 H new ATOM 0 HA SER A 95 -14.877 -18.225 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 95 -14.499 -18.079 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.999 -16.483 -3.453 1.00 0.00 H new ATOM 0 HG SER A 95 -16.212 -15.774 -2.941 1.00 0.00 H new ATOM 1525 N PRO A 96 -17.164 -19.176 -4.726 1.00 0.00 N ATOM 1526 CA PRO A 96 -18.525 -19.714 -4.627 1.00 0.00 C ATOM 1527 C PRO A 96 -19.240 -19.249 -3.363 1.00 0.00 C ATOM 1528 O PRO A 96 -18.746 -19.440 -2.252 1.00 0.00 O ATOM 1529 CB PRO A 96 -18.311 -21.229 -4.590 1.00 0.00 C ATOM 1530 CG PRO A 96 -16.999 -21.445 -5.260 1.00 0.00 C ATOM 1531 CD PRO A 96 -16.163 -20.241 -4.928 1.00 0.00 C ATOM 0 HA PRO A 96 -19.154 -19.380 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -18.298 -21.602 -3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.112 -21.754 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -16.525 -22.360 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -17.123 -21.549 -6.338 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -15.562 -20.403 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.473 -19.996 -5.735 1.00 0.00 H new ATOM 1539 N GLU A 97 -20.407 -18.635 -3.541 1.00 0.00 N ATOM 1540 CA GLU A 97 -21.192 -18.141 -2.415 1.00 0.00 C ATOM 1541 C GLU A 97 -20.424 -17.074 -1.641 1.00 0.00 C ATOM 1542 O GLU A 97 -19.195 -17.095 -1.589 1.00 0.00 O ATOM 1543 CB GLU A 97 -21.570 -19.294 -1.482 1.00 0.00 C ATOM 1544 CG GLU A 97 -22.513 -20.304 -2.113 1.00 0.00 C ATOM 1545 CD GLU A 97 -23.958 -19.854 -2.078 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -24.399 -19.354 -1.022 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -24.652 -20.000 -3.107 1.00 0.00 O ATOM 0 H GLU A 97 -20.829 -18.468 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 97 -22.103 -17.691 -2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.662 -19.806 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.036 -18.886 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -22.215 -20.476 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.421 -21.257 -1.592 1.00 0.00 H new ATOM 1554 N LYS A 98 -21.159 -16.143 -1.041 1.00 0.00 N ATOM 1555 CA LYS A 98 -20.548 -15.067 -0.270 1.00 0.00 C ATOM 1556 C LYS A 98 -21.519 -14.528 0.775 1.00 0.00 C ATOM 1557 O LYS A 98 -22.695 -14.890 0.790 1.00 0.00 O ATOM 1558 CB LYS A 98 -20.097 -13.937 -1.197 1.00 0.00 C ATOM 1559 CG LYS A 98 -21.230 -13.327 -2.006 1.00 0.00 C ATOM 1560 CD LYS A 98 -20.902 -11.908 -2.441 1.00 0.00 C ATOM 1561 CE LYS A 98 -21.560 -10.878 -1.535 1.00 0.00 C ATOM 1562 NZ LYS A 98 -20.578 -9.881 -1.023 1.00 0.00 N ATOM 0 H LYS A 98 -22.178 -16.112 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.677 -15.472 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.625 -13.156 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -19.338 -14.319 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -21.424 -13.942 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -22.143 -13.324 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -19.822 -11.764 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -21.235 -11.756 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -22.348 -10.363 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -22.035 -11.384 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -21.065 -9.197 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.839 -10.370 -0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.143 -9.380 -1.824 1.00 0.00 H new ATOM 1576 N ALA A 99 -21.019 -13.659 1.648 1.00 0.00 N ATOM 1577 CA ALA A 99 -21.842 -13.068 2.697 1.00 0.00 C ATOM 1578 C ALA A 99 -21.209 -11.792 3.239 1.00 0.00 C ATOM 1579 O ALA A 99 -19.994 -11.610 3.163 1.00 0.00 O ATOM 1580 CB ALA A 99 -22.063 -14.071 3.820 1.00 0.00 C ATOM 0 H ALA A 99 -20.047 -13.348 1.650 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.807 -12.805 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -22.679 -13.618 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -22.567 -14.953 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.101 -14.362 4.243 1.00 0.00 H new ATOM 1586 N SER A 100 -22.038 -10.913 3.788 1.00 0.00 N ATOM 1587 CA SER A 100 -21.559 -9.653 4.345 1.00 0.00 C ATOM 1588 C SER A 100 -22.263 -9.337 5.662 1.00 0.00 C ATOM 1589 O SER A 100 -21.618 -9.173 6.697 1.00 0.00 O ATOM 1590 CB SER A 100 -21.780 -8.514 3.348 1.00 0.00 C ATOM 1591 OG SER A 100 -22.925 -8.751 2.547 1.00 0.00 O ATOM 0 H SER A 100 -23.046 -11.049 3.860 1.00 0.00 H new ATOM 0 HA SER A 100 -20.491 -9.753 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.897 -7.573 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 100 -20.902 -8.409 2.711 1.00 0.00 H new ATOM 0 HG SER A 100 -23.045 -8.008 1.920 1.00 0.00 H new ATOM 1597 N ASN A 101 -23.589 -9.251 5.613 1.00 0.00 N ATOM 1598 CA ASN A 101 -24.379 -8.954 6.800 1.00 0.00 C ATOM 1599 C ASN A 101 -25.258 -10.142 7.180 1.00 0.00 C ATOM 1600 O ASN A 101 -26.091 -10.587 6.392 1.00 0.00 O ATOM 1601 CB ASN A 101 -25.248 -7.718 6.563 1.00 0.00 C ATOM 1602 CG ASN A 101 -24.498 -6.426 6.823 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -23.668 -6.347 7.729 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -24.786 -5.404 6.025 1.00 0.00 N ATOM 0 H ASN A 101 -24.138 -9.383 4.763 1.00 0.00 H new ATOM 0 HA ASN A 101 -23.692 -8.755 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -25.611 -7.724 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -26.124 -7.763 7.210 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -24.312 -4.510 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -25.481 -5.514 5.286 1.00 0.00 H new ATOM 1611 N MET A 102 -25.066 -10.650 8.395 1.00 0.00 N ATOM 1612 CA MET A 102 -25.841 -11.786 8.879 1.00 0.00 C ATOM 1613 C MET A 102 -26.977 -11.321 9.786 1.00 0.00 C ATOM 1614 O MET A 102 -26.823 -11.250 11.004 1.00 0.00 O ATOM 1615 CB MET A 102 -24.938 -12.762 9.635 1.00 0.00 C ATOM 1616 CG MET A 102 -25.314 -14.220 9.431 1.00 0.00 C ATOM 1617 SD MET A 102 -24.125 -15.112 8.409 1.00 0.00 S ATOM 1618 CE MET A 102 -22.949 -15.647 9.649 1.00 0.00 C ATOM 0 H MET A 102 -24.381 -10.292 9.061 1.00 0.00 H new ATOM 0 HA MET A 102 -26.272 -12.294 8.016 1.00 0.00 H new ATOM 0 HB2 MET A 102 -23.907 -12.613 9.314 1.00 0.00 H new ATOM 0 HB3 MET A 102 -24.977 -12.531 10.699 1.00 0.00 H new ATOM 0 HG2 MET A 102 -25.391 -14.710 10.402 1.00 0.00 H new ATOM 0 HG3 MET A 102 -26.299 -14.275 8.967 1.00 0.00 H new ATOM 0 HE1 MET A 102 -22.150 -16.214 9.172 1.00 0.00 H new ATOM 0 HE2 MET A 102 -22.527 -14.776 10.150 1.00 0.00 H new ATOM 0 HE3 MET A 102 -23.454 -16.277 10.381 1.00 0.00 H new ATOM 1628 N GLU A 103 -28.118 -11.005 9.180 1.00 0.00 N ATOM 1629 CA GLU A 103 -29.280 -10.548 9.934 1.00 0.00 C ATOM 1630 C GLU A 103 -28.965 -9.262 10.692 1.00 0.00 C ATOM 1631 O GLU A 103 -29.521 -9.009 11.762 1.00 0.00 O ATOM 1632 CB GLU A 103 -29.740 -11.631 10.911 1.00 0.00 C ATOM 1633 CG GLU A 103 -30.217 -12.903 10.230 1.00 0.00 C ATOM 1634 CD GLU A 103 -29.177 -14.006 10.259 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -28.985 -14.613 11.334 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -28.553 -14.263 9.208 1.00 0.00 O ATOM 0 H GLU A 103 -28.262 -11.057 8.172 1.00 0.00 H new ATOM 0 HA GLU A 103 -30.083 -10.344 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -28.917 -11.875 11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -30.547 -11.234 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -31.126 -13.253 10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -30.477 -12.681 9.195 1.00 0.00 H new ATOM 1643 N ASN A 104 -28.070 -8.454 10.133 1.00 0.00 N ATOM 1644 CA ASN A 104 -27.682 -7.195 10.756 1.00 0.00 C ATOM 1645 C ASN A 104 -27.083 -7.434 12.139 1.00 0.00 C ATOM 1646 O ASN A 104 -27.024 -8.569 12.613 1.00 0.00 O ATOM 1647 CB ASN A 104 -28.890 -6.261 10.862 1.00 0.00 C ATOM 1648 CG ASN A 104 -28.598 -4.875 10.319 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -27.443 -4.511 10.105 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -29.648 -4.094 10.094 1.00 0.00 N ATOM 0 H ASN A 104 -27.600 -8.649 9.249 1.00 0.00 H new ATOM 0 HA ASN A 104 -26.924 -6.726 10.129 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -29.729 -6.693 10.316 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -29.195 -6.183 11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -29.513 -3.151 9.729 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -30.589 -4.437 10.286 1.00 0.00 H new ATOM 1657 N ASN A 105 -26.640 -6.359 12.783 1.00 0.00 N ATOM 1658 CA ASN A 105 -26.047 -6.454 14.110 1.00 0.00 C ATOM 1659 C ASN A 105 -27.080 -6.150 15.191 1.00 0.00 C ATOM 1660 O ASN A 105 -27.972 -5.326 14.997 1.00 0.00 O ATOM 1661 CB ASN A 105 -24.865 -5.489 14.233 1.00 0.00 C ATOM 1662 CG ASN A 105 -23.880 -5.916 15.305 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -24.241 -6.062 16.472 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -22.628 -6.118 14.911 1.00 0.00 N ATOM 0 H ASN A 105 -26.681 -5.412 12.406 1.00 0.00 H new ATOM 0 HA ASN A 105 -25.691 -7.475 14.249 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -24.350 -5.425 13.274 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -25.237 -4.490 14.462 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.921 -6.406 15.587 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -22.374 -5.985 13.932 1.00 0.00 H new ATOM 1671 N GLU A 106 -26.951 -6.822 16.331 1.00 0.00 N ATOM 1672 CA GLU A 106 -27.873 -6.626 17.442 1.00 0.00 C ATOM 1673 C GLU A 106 -27.133 -6.657 18.775 1.00 0.00 C ATOM 1674 O GLU A 106 -27.462 -5.831 19.653 1.00 0.00 O ATOM 1675 CB GLU A 106 -28.962 -7.700 17.425 1.00 0.00 C ATOM 1676 CG GLU A 106 -29.929 -7.568 16.259 1.00 0.00 C ATOM 1677 CD GLU A 106 -29.736 -8.649 15.215 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -28.576 -8.898 14.824 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -30.746 -9.249 14.788 1.00 0.00 O ATOM 1680 OXT GLU A 106 -26.231 -7.507 18.930 1.00 0.00 O ATOM 0 H GLU A 106 -26.216 -7.507 16.509 1.00 0.00 H new ATOM 0 HA GLU A 106 -28.337 -5.646 17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -28.491 -8.682 17.386 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -29.523 -7.652 18.358 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -30.952 -7.609 16.634 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -29.799 -6.591 15.793 1.00 0.00 H new TER 1687 GLU A 106