USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0.654 K(o=1.1,f=-1.9) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.424 K(o=1.1,f=-3.1!) USER MOD Set 2.1: A 68 ASN : amide:sc= -0.268 K(o=-0.31,f=-2.2!) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= -0.0442 USER MOD Set 3.1: A 28 SER OG : rot -97:sc= 1.11 USER MOD Set 3.2: A 47 TYR OH : rot -160:sc= 0.0964 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.0697 K(o=1.1,f=0.42) USER MOD Single : A 17 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=0) USER MOD Single : A 19 ASN : amide:sc= 1.13 K(o=1.1,f=-0.035) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1) USER MOD Single : A 25 GLN : amide:sc= 0.967 K(o=0.97,f=-0.5) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.896) USER MOD Single : A 37 HIS : no HD1:sc= 0.935 K(o=0.93,f=-4.9!) USER MOD Single : A 38 THR OG1 : rot -65:sc= -0.856! USER MOD Single : A 41 SER OG : rot -138:sc= 1.38 USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= -0.209 (180deg=-0.444!) USER MOD Single : A 44 MET CE :methyl 172:sc= -0.574 (180deg=-0.782) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -59:sc= -0.998 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00956 USER MOD Single : A 55 MET CE :methyl 159:sc= -0.0558 (180deg=-0.442) USER MOD Single : A 65 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.33) USER MOD Single : A 72 THR OG1 : rot 116:sc= -2.88! USER MOD Single : A 75 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.3) USER MOD Single : A 78 MET CE :methyl 154:sc= 0 (180deg=-0.18) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.4) USER MOD Single : A 90 GLN : amide:sc= -0.814 K(o=-0.81,f=-3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.103 USER MOD Single : B 357 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 358 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.324 23.303 5.621 1.00 10.00 N ATOM 2 CA ASP A 16 -5.456 22.436 6.012 1.00 10.00 C ATOM 3 C ASP A 16 -5.187 20.998 5.600 1.00 10.00 C ATOM 4 O ASP A 16 -4.181 20.711 4.948 1.00 10.00 O ATOM 5 CB ASP A 16 -6.750 22.937 5.369 1.00 10.00 C ATOM 6 CG ASP A 16 -7.095 24.344 5.807 1.00 10.00 C ATOM 7 OD1 ASP A 16 -7.928 24.501 6.721 1.00 10.00 O ATOM 8 OD2 ASP A 16 -6.517 25.299 5.250 1.00 10.00 O ATOM 0 HA ASP A 16 -5.565 22.472 7.096 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -6.649 22.910 4.284 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.568 22.266 5.630 1.00 10.00 H new ATOM 13 N HIS A 17 -6.079 20.095 5.983 1.00 10.00 N ATOM 14 CA HIS A 17 -5.937 18.684 5.644 1.00 10.00 C ATOM 15 C HIS A 17 -6.935 18.295 4.565 1.00 10.00 C ATOM 16 O HIS A 17 -8.016 18.881 4.465 1.00 10.00 O ATOM 17 CB HIS A 17 -6.142 17.812 6.882 1.00 10.00 C ATOM 18 CG HIS A 17 -4.913 17.659 7.727 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.570 18.598 8.669 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.991 16.666 7.736 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.458 18.156 9.231 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.067 16.990 8.698 1.00 10.00 N ATOM 0 H HIS A 17 -6.911 20.314 6.530 1.00 10.00 H new ATOM 0 HA HIS A 17 -4.928 18.523 5.265 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.938 18.242 7.490 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.480 16.825 6.567 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.984 15.788 7.107 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -2.931 18.670 10.021 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.242 16.448 8.957 1.00 10.00 H new ATOM 30 N ILE A 18 -6.573 17.307 3.763 1.00 10.00 N ATOM 31 CA ILE A 18 -7.430 16.831 2.693 1.00 10.00 C ATOM 32 C ILE A 18 -7.877 15.400 2.989 1.00 10.00 C ATOM 33 O ILE A 18 -7.077 14.566 3.419 1.00 10.00 O ATOM 34 CB ILE A 18 -6.707 16.912 1.322 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.628 16.466 0.185 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.431 16.081 1.324 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.038 16.693 -1.188 1.00 10.00 C ATOM 0 H ILE A 18 -5.682 16.816 3.836 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.310 17.472 2.638 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.437 17.955 1.156 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.854 15.406 0.305 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.573 17.004 0.260 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.946 16.157 0.351 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.756 16.452 2.096 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.676 15.038 1.527 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.743 16.355 -1.947 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.837 17.755 -1.327 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.108 16.133 -1.281 1.00 10.00 H new ATOM 49 N ASN A 19 -9.159 15.130 2.802 1.00 10.00 N ATOM 50 CA ASN A 19 -9.697 13.803 3.066 1.00 10.00 C ATOM 51 C ASN A 19 -9.580 12.923 1.834 1.00 10.00 C ATOM 52 O ASN A 19 -10.398 13.010 0.915 1.00 10.00 O ATOM 53 CB ASN A 19 -11.160 13.883 3.507 1.00 10.00 C ATOM 54 CG ASN A 19 -11.340 14.617 4.822 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.246 14.027 5.900 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.607 15.910 4.743 1.00 10.00 N ATOM 0 H ASN A 19 -9.845 15.808 2.470 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.113 13.362 3.874 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.741 14.386 2.733 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.562 12.874 3.602 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.743 16.456 5.594 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.677 16.362 3.831 1.00 10.00 H new ATOM 63 N LEU A 20 -8.553 12.089 1.813 1.00 10.00 N ATOM 64 CA LEU A 20 -8.333 11.183 0.699 1.00 10.00 C ATOM 65 C LEU A 20 -8.806 9.787 1.075 1.00 10.00 C ATOM 66 O LEU A 20 -8.581 9.327 2.196 1.00 10.00 O ATOM 67 CB LEU A 20 -6.857 11.164 0.292 1.00 10.00 C ATOM 68 CG LEU A 20 -6.361 12.448 -0.382 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.885 12.339 -0.731 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.179 12.746 -1.632 1.00 10.00 C ATOM 0 H LEU A 20 -7.858 12.021 2.556 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.908 11.534 -0.158 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.252 10.979 1.180 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.692 10.327 -0.386 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.488 13.271 0.322 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.555 13.262 -1.208 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.307 12.174 0.178 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.733 11.503 -1.414 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.812 13.661 -2.097 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.084 11.918 -2.335 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.227 12.872 -1.360 1.00 10.00 H new ATOM 82 N LYS A 21 -9.466 9.122 0.143 1.00 10.00 N ATOM 83 CA LYS A 21 -9.999 7.794 0.390 1.00 10.00 C ATOM 84 C LYS A 21 -9.324 6.753 -0.485 1.00 10.00 C ATOM 85 O LYS A 21 -9.423 6.795 -1.708 1.00 10.00 O ATOM 86 CB LYS A 21 -11.507 7.788 0.130 1.00 10.00 C ATOM 87 CG LYS A 21 -12.223 9.001 0.704 1.00 10.00 C ATOM 88 CD LYS A 21 -13.584 9.209 0.063 1.00 10.00 C ATOM 89 CE LYS A 21 -14.619 8.255 0.631 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.000 8.654 0.259 1.00 10.00 N ATOM 0 H LYS A 21 -9.646 9.481 -0.794 1.00 10.00 H new ATOM 0 HA LYS A 21 -9.802 7.538 1.431 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.683 7.746 -0.945 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -11.939 6.884 0.559 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.343 8.876 1.780 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.610 9.890 0.553 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.909 10.237 0.223 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.506 9.063 -1.014 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.422 7.246 0.268 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.529 8.226 1.717 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.682 8.121 0.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.125 9.673 0.428 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.162 8.448 -0.748 1.00 10.00 H new ATOM 104 N VAL A 22 -8.634 5.824 0.144 1.00 10.00 N ATOM 105 CA VAL A 22 -7.962 4.755 -0.576 1.00 10.00 C ATOM 106 C VAL A 22 -8.814 3.494 -0.492 1.00 10.00 C ATOM 107 O VAL A 22 -9.249 3.106 0.594 1.00 10.00 O ATOM 108 CB VAL A 22 -6.554 4.481 -0.004 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.867 3.369 -0.773 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.708 5.745 -0.017 1.00 10.00 C ATOM 0 H VAL A 22 -8.522 5.785 1.157 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.838 5.059 -1.615 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.668 4.159 1.031 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.877 3.194 -0.352 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.459 2.457 -0.700 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.771 3.656 -1.820 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.721 5.526 0.391 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.606 6.104 -1.041 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.190 6.511 0.590 1.00 10.00 H new ATOM 120 N ALA A 23 -9.060 2.865 -1.631 1.00 10.00 N ATOM 121 CA ALA A 23 -9.888 1.669 -1.670 1.00 10.00 C ATOM 122 C ALA A 23 -9.073 0.425 -1.999 1.00 10.00 C ATOM 123 O ALA A 23 -8.405 0.357 -3.035 1.00 10.00 O ATOM 124 CB ALA A 23 -11.014 1.846 -2.679 1.00 10.00 C ATOM 0 H ALA A 23 -8.700 3.161 -2.538 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.313 1.527 -0.676 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.628 0.946 -2.701 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.630 2.698 -2.391 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.592 2.021 -3.668 1.00 10.00 H new ATOM 130 N GLY A 24 -9.128 -0.553 -1.106 1.00 10.00 N ATOM 131 CA GLY A 24 -8.416 -1.798 -1.318 1.00 10.00 C ATOM 132 C GLY A 24 -9.245 -2.784 -2.123 1.00 10.00 C ATOM 133 O GLY A 24 -10.458 -2.618 -2.252 1.00 10.00 O ATOM 0 H GLY A 24 -9.656 -0.506 -0.234 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.479 -1.598 -1.839 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.158 -2.239 -0.355 1.00 10.00 H new ATOM 137 N GLN A 25 -8.604 -3.825 -2.645 1.00 10.00 N ATOM 138 CA GLN A 25 -9.302 -4.829 -3.451 1.00 10.00 C ATOM 139 C GLN A 25 -10.200 -5.713 -2.590 1.00 10.00 C ATOM 140 O GLN A 25 -11.031 -6.454 -3.105 1.00 10.00 O ATOM 141 CB GLN A 25 -8.304 -5.688 -4.231 1.00 10.00 C ATOM 142 CG GLN A 25 -7.494 -4.900 -5.248 1.00 10.00 C ATOM 143 CD GLN A 25 -8.366 -4.100 -6.198 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.423 -4.555 -6.628 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.941 -2.888 -6.510 1.00 10.00 N ATOM 0 H GLN A 25 -7.606 -3.998 -2.527 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.935 -4.296 -4.160 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.623 -6.168 -3.529 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.844 -6.483 -4.745 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.819 -4.223 -4.723 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.873 -5.587 -5.823 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.058 -2.545 -6.133 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.497 -2.296 -7.128 1.00 10.00 H new ATOM 154 N ASP A 26 -10.028 -5.627 -1.279 1.00 10.00 N ATOM 155 CA ASP A 26 -10.837 -6.413 -0.357 1.00 10.00 C ATOM 156 C ASP A 26 -12.093 -5.636 0.029 1.00 10.00 C ATOM 157 O ASP A 26 -13.043 -6.197 0.576 1.00 10.00 O ATOM 158 CB ASP A 26 -10.032 -6.783 0.896 1.00 10.00 C ATOM 159 CG ASP A 26 -9.920 -5.638 1.879 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.616 -4.511 1.440 1.00 10.00 O ATOM 161 OD2 ASP A 26 -10.135 -5.863 3.091 1.00 10.00 O ATOM 0 H ASP A 26 -9.339 -5.024 -0.830 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.131 -7.336 -0.856 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.504 -7.633 1.388 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.032 -7.101 0.600 1.00 10.00 H new ATOM 166 N GLY A 27 -12.090 -4.340 -0.262 1.00 10.00 N ATOM 167 CA GLY A 27 -13.232 -3.503 0.055 1.00 10.00 C ATOM 168 C GLY A 27 -12.983 -2.589 1.239 1.00 10.00 C ATOM 169 O GLY A 27 -13.911 -1.960 1.746 1.00 10.00 O ATOM 0 H GLY A 27 -11.315 -3.853 -0.713 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.487 -2.899 -0.816 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.093 -4.137 0.267 1.00 10.00 H new ATOM 173 N SER A 28 -11.737 -2.516 1.689 1.00 10.00 N ATOM 174 CA SER A 28 -11.391 -1.664 2.819 1.00 10.00 C ATOM 175 C SER A 28 -11.258 -0.208 2.395 1.00 10.00 C ATOM 176 O SER A 28 -10.556 0.110 1.430 1.00 10.00 O ATOM 177 CB SER A 28 -10.080 -2.121 3.467 1.00 10.00 C ATOM 178 OG SER A 28 -9.056 -2.285 2.499 1.00 10.00 O ATOM 0 H SER A 28 -10.953 -3.033 1.291 1.00 10.00 H new ATOM 0 HA SER A 28 -12.201 -1.748 3.544 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.766 -1.390 4.212 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.241 -3.062 3.993 1.00 10.00 H new ATOM 0 HG SER A 28 -8.995 -3.229 2.245 1.00 10.00 H new ATOM 184 N VAL A 29 -11.953 0.668 3.100 1.00 10.00 N ATOM 185 CA VAL A 29 -11.870 2.087 2.830 1.00 10.00 C ATOM 186 C VAL A 29 -11.122 2.759 3.976 1.00 10.00 C ATOM 187 O VAL A 29 -11.568 2.734 5.130 1.00 10.00 O ATOM 188 CB VAL A 29 -13.264 2.733 2.613 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.215 2.429 3.763 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.131 4.240 2.402 1.00 10.00 C ATOM 0 H VAL A 29 -12.581 0.418 3.864 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.326 2.232 1.896 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.693 2.292 1.713 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.179 2.900 3.572 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.348 1.351 3.850 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.799 2.819 4.692 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.119 4.675 2.252 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.666 4.691 3.279 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.513 4.431 1.525 1.00 10.00 H new ATOM 200 N VAL A 30 -9.958 3.306 3.670 1.00 10.00 N ATOM 201 CA VAL A 30 -9.147 3.956 4.684 1.00 10.00 C ATOM 202 C VAL A 30 -9.328 5.463 4.670 1.00 10.00 C ATOM 203 O VAL A 30 -9.242 6.107 3.620 1.00 10.00 O ATOM 204 CB VAL A 30 -7.644 3.634 4.525 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.334 2.235 5.016 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.201 3.790 3.086 1.00 10.00 C ATOM 0 H VAL A 30 -9.555 3.313 2.733 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.494 3.559 5.638 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.090 4.347 5.135 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.270 2.034 4.893 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.599 2.152 6.070 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.909 1.511 4.439 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.139 3.557 3.005 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.771 3.109 2.454 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.373 4.816 2.762 1.00 10.00 H new ATOM 216 N GLN A 31 -9.597 6.014 5.840 1.00 10.00 N ATOM 217 CA GLN A 31 -9.755 7.448 5.987 1.00 10.00 C ATOM 218 C GLN A 31 -8.376 8.064 6.166 1.00 10.00 C ATOM 219 O GLN A 31 -7.816 8.046 7.261 1.00 10.00 O ATOM 220 CB GLN A 31 -10.646 7.777 7.188 1.00 10.00 C ATOM 221 CG GLN A 31 -11.118 9.225 7.214 1.00 10.00 C ATOM 222 CD GLN A 31 -11.851 9.581 8.491 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.456 8.725 9.135 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.812 10.852 8.860 1.00 10.00 N ATOM 0 H GLN A 31 -9.711 5.486 6.705 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.236 7.857 5.099 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.515 7.120 7.177 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.098 7.565 8.106 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.258 9.885 7.098 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.774 9.404 6.362 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.299 11.531 8.298 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.295 11.152 9.707 1.00 10.00 H new ATOM 233 N PHE A 32 -7.823 8.575 5.079 1.00 10.00 N ATOM 234 CA PHE A 32 -6.497 9.165 5.105 1.00 10.00 C ATOM 235 C PHE A 32 -6.537 10.661 5.362 1.00 10.00 C ATOM 236 O PHE A 32 -6.984 11.437 4.511 1.00 10.00 O ATOM 237 CB PHE A 32 -5.776 8.909 3.783 1.00 10.00 C ATOM 238 CG PHE A 32 -4.729 7.836 3.855 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.000 6.559 3.400 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.475 8.109 4.374 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.037 5.569 3.459 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.510 7.123 4.439 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.791 5.852 3.979 1.00 10.00 C ATOM 0 H PHE A 32 -8.275 8.593 4.165 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.959 8.692 5.926 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.512 8.634 3.027 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.309 9.836 3.451 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.975 6.332 2.994 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.249 9.103 4.732 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.260 4.576 3.099 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.536 7.346 4.849 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.037 5.081 4.026 1.00 10.00 H new ATOM 253 N LYS A 33 -6.073 11.065 6.534 1.00 10.00 N ATOM 254 CA LYS A 33 -6.016 12.477 6.866 1.00 10.00 C ATOM 255 C LYS A 33 -4.606 12.984 6.602 1.00 10.00 C ATOM 256 O LYS A 33 -3.733 12.925 7.470 1.00 10.00 O ATOM 257 CB LYS A 33 -6.421 12.733 8.317 1.00 10.00 C ATOM 258 CG LYS A 33 -6.700 14.203 8.594 1.00 10.00 C ATOM 259 CD LYS A 33 -7.558 14.400 9.834 1.00 10.00 C ATOM 260 CE LYS A 33 -8.177 15.788 9.847 1.00 10.00 C ATOM 261 NZ LYS A 33 -8.969 16.036 11.079 1.00 10.00 N ATOM 0 H LYS A 33 -5.733 10.440 7.265 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.727 13.016 6.240 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.310 12.147 8.551 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.627 12.386 8.979 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.756 14.733 8.719 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.202 14.645 7.733 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.345 13.646 9.861 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.951 14.259 10.728 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.389 16.537 9.767 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -8.819 15.906 8.974 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.373 16.994 11.045 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.738 15.339 11.144 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -8.352 15.949 11.912 1.00 10.00 H new ATOM 275 N ILE A 34 -4.396 13.461 5.388 1.00 10.00 N ATOM 276 CA ILE A 34 -3.097 13.950 4.957 1.00 10.00 C ATOM 277 C ILE A 34 -3.201 15.410 4.500 1.00 10.00 C ATOM 278 O ILE A 34 -4.296 15.897 4.237 1.00 10.00 O ATOM 279 CB ILE A 34 -2.562 13.055 3.803 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.213 13.548 3.269 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.581 12.981 2.673 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.584 12.622 2.249 1.00 10.00 C ATOM 0 H ILE A 34 -5.121 13.521 4.673 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.401 13.905 5.795 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.406 12.057 4.213 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.349 14.531 2.818 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.525 13.673 4.105 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.192 12.351 1.873 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.512 12.556 3.049 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.770 13.983 2.287 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.368 13.038 1.918 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.415 11.644 2.700 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.251 12.516 1.393 1.00 10.00 H new ATOM 294 N LYS A 35 -2.078 16.119 4.448 1.00 10.00 N ATOM 295 CA LYS A 35 -2.081 17.501 3.989 1.00 10.00 C ATOM 296 C LYS A 35 -1.989 17.521 2.464 1.00 10.00 C ATOM 297 O LYS A 35 -1.767 16.483 1.840 1.00 10.00 O ATOM 298 CB LYS A 35 -0.926 18.296 4.610 1.00 10.00 C ATOM 299 CG LYS A 35 -1.078 18.548 6.107 1.00 10.00 C ATOM 300 CD LYS A 35 -0.003 19.496 6.622 1.00 10.00 C ATOM 301 CE LYS A 35 0.069 19.500 8.142 1.00 10.00 C ATOM 302 NZ LYS A 35 1.367 20.040 8.636 1.00 10.00 N ATOM 0 H LYS A 35 -1.161 15.762 4.716 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.009 17.976 4.305 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.006 17.758 4.436 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.842 19.254 4.098 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.063 18.968 6.309 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.019 17.602 6.645 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.964 19.204 6.213 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.208 20.505 6.266 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.749 20.099 8.542 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.067 18.485 8.514 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.589 19.618 9.560 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.121 19.806 7.958 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.298 21.073 8.735 1.00 10.00 H new ATOM 316 N ARG A 36 -2.143 18.690 1.860 1.00 10.00 N ATOM 317 CA ARG A 36 -2.103 18.791 0.403 1.00 10.00 C ATOM 318 C ARG A 36 -0.674 18.897 -0.122 1.00 10.00 C ATOM 319 O ARG A 36 -0.435 18.716 -1.316 1.00 10.00 O ATOM 320 CB ARG A 36 -2.930 19.985 -0.077 1.00 10.00 C ATOM 321 CG ARG A 36 -4.427 19.798 0.108 1.00 10.00 C ATOM 322 CD ARG A 36 -5.217 20.931 -0.526 1.00 10.00 C ATOM 323 NE ARG A 36 -5.118 20.923 -1.984 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.153 20.722 -2.801 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.369 20.498 -2.311 1.00 10.00 N ATOM 326 NH2 ARG A 36 -5.976 20.751 -4.115 1.00 10.00 N ATOM 0 H ARG A 36 -2.295 19.574 2.346 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.536 17.874 0.004 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.614 20.877 0.464 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.721 20.161 -1.132 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.733 18.849 -0.334 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.658 19.744 1.172 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.264 20.850 -0.234 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.852 21.884 -0.144 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.201 21.081 -2.402 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.517 20.479 -1.302 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.154 20.345 -2.944 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.048 20.927 -4.501 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -6.768 20.597 -4.740 1.00 10.00 H new ATOM 340 N HIS A 37 0.274 19.175 0.764 1.00 10.00 N ATOM 341 CA HIS A 37 1.668 19.312 0.354 1.00 10.00 C ATOM 342 C HIS A 37 2.488 18.073 0.715 1.00 10.00 C ATOM 343 O HIS A 37 3.628 17.928 0.275 1.00 10.00 O ATOM 344 CB HIS A 37 2.286 20.586 0.964 1.00 10.00 C ATOM 345 CG HIS A 37 2.864 20.413 2.342 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.199 20.622 2.582 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.262 20.047 3.501 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.382 20.378 3.869 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.238 20.026 4.467 1.00 10.00 N ATOM 0 H HIS A 37 0.107 19.309 1.761 1.00 10.00 H new ATOM 0 HA HIS A 37 1.689 19.405 -0.732 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.071 20.945 0.299 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.521 21.361 1.002 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.216 19.816 3.638 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.334 20.453 4.373 1.00 10.00 H new ATOM 0 HE2 HIS A 37 3.115 19.788 5.451 1.00 10.00 H new ATOM 357 N THR A 38 1.902 17.183 1.505 1.00 10.00 N ATOM 358 CA THR A 38 2.579 15.963 1.924 1.00 10.00 C ATOM 359 C THR A 38 2.653 14.960 0.769 1.00 10.00 C ATOM 360 O THR A 38 1.639 14.668 0.133 1.00 10.00 O ATOM 361 CB THR A 38 1.847 15.321 3.120 1.00 10.00 C ATOM 362 OG1 THR A 38 1.453 16.342 4.046 1.00 10.00 O ATOM 363 CG2 THR A 38 2.730 14.306 3.831 1.00 10.00 C ATOM 0 H THR A 38 0.955 17.284 1.870 1.00 10.00 H new ATOM 0 HA THR A 38 3.592 16.229 2.227 1.00 10.00 H new ATOM 0 HB THR A 38 0.968 14.801 2.739 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.251 16.761 4.430 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.184 13.872 4.669 1.00 10.00 H new ATOM 0 HG22 THR A 38 3.011 13.517 3.134 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.628 14.801 4.201 1.00 10.00 H new ATOM 371 N PRO A 39 3.862 14.440 0.467 1.00 10.00 N ATOM 372 CA PRO A 39 4.065 13.472 -0.622 1.00 10.00 C ATOM 373 C PRO A 39 3.191 12.229 -0.487 1.00 10.00 C ATOM 374 O PRO A 39 3.009 11.693 0.611 1.00 10.00 O ATOM 375 CB PRO A 39 5.546 13.094 -0.497 1.00 10.00 C ATOM 376 CG PRO A 39 6.177 14.233 0.220 1.00 10.00 C ATOM 377 CD PRO A 39 5.129 14.768 1.151 1.00 10.00 C ATOM 0 HA PRO A 39 3.795 13.900 -1.587 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.670 12.163 0.056 1.00 10.00 H new ATOM 0 HB3 PRO A 39 5.999 12.945 -1.477 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.059 13.906 0.771 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.505 15.001 -0.480 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.188 14.300 2.134 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.237 15.842 1.303 1.00 10.00 H new ATOM 385 N LEU A 40 2.668 11.762 -1.619 1.00 10.00 N ATOM 386 CA LEU A 40 1.814 10.581 -1.644 1.00 10.00 C ATOM 387 C LEU A 40 2.625 9.325 -1.340 1.00 10.00 C ATOM 388 O LEU A 40 2.068 8.261 -1.070 1.00 10.00 O ATOM 389 CB LEU A 40 1.122 10.450 -3.004 1.00 10.00 C ATOM 390 CG LEU A 40 0.098 11.541 -3.320 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.350 11.451 -4.769 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.099 11.442 -2.387 1.00 10.00 C ATOM 0 H LEU A 40 2.823 12.187 -2.533 1.00 10.00 H new ATOM 0 HA LEU A 40 1.051 10.694 -0.874 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.884 10.452 -3.783 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.623 9.482 -3.048 1.00 10.00 H new ATOM 0 HG LEU A 40 0.574 12.509 -3.166 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.078 12.236 -4.974 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.512 11.576 -5.425 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.805 10.477 -4.949 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.815 12.227 -2.629 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.574 10.468 -2.507 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.767 11.559 -1.355 1.00 10.00 H new ATOM 404 N SER A 41 3.944 9.461 -1.388 1.00 10.00 N ATOM 405 CA SER A 41 4.849 8.361 -1.102 1.00 10.00 C ATOM 406 C SER A 41 4.639 7.859 0.328 1.00 10.00 C ATOM 407 O SER A 41 4.606 6.652 0.581 1.00 10.00 O ATOM 408 CB SER A 41 6.282 8.843 -1.298 1.00 10.00 C ATOM 409 OG SER A 41 6.281 10.137 -1.884 1.00 10.00 O ATOM 0 H SER A 41 4.413 10.335 -1.626 1.00 10.00 H new ATOM 0 HA SER A 41 4.649 7.531 -1.780 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.801 8.869 -0.340 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.825 8.146 -1.936 1.00 10.00 H new ATOM 0 HG SER A 41 6.973 10.183 -2.576 1.00 10.00 H new ATOM 415 N LYS A 42 4.466 8.803 1.246 1.00 10.00 N ATOM 416 CA LYS A 42 4.239 8.488 2.650 1.00 10.00 C ATOM 417 C LYS A 42 2.876 7.830 2.815 1.00 10.00 C ATOM 418 O LYS A 42 2.696 6.943 3.647 1.00 10.00 O ATOM 419 CB LYS A 42 4.320 9.770 3.486 1.00 10.00 C ATOM 420 CG LYS A 42 4.309 9.544 4.992 1.00 10.00 C ATOM 421 CD LYS A 42 4.467 10.862 5.734 1.00 10.00 C ATOM 422 CE LYS A 42 4.504 10.675 7.242 1.00 10.00 C ATOM 423 NZ LYS A 42 5.403 9.574 7.667 1.00 10.00 N ATOM 0 H LYS A 42 4.479 9.802 1.039 1.00 10.00 H new ATOM 0 HA LYS A 42 5.006 7.795 2.996 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.231 10.306 3.219 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.481 10.414 3.222 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.375 9.065 5.286 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.116 8.866 5.269 1.00 10.00 H new ATOM 0 HD2 LYS A 42 5.385 11.352 5.408 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.642 11.525 5.473 1.00 10.00 H new ATOM 0 HE2 LYS A 42 4.830 11.604 7.710 1.00 10.00 H new ATOM 0 HE3 LYS A 42 3.495 10.473 7.603 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.843 9.817 8.577 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.853 8.698 7.772 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 6.144 9.434 6.950 1.00 10.00 H new ATOM 437 N LEU A 43 1.928 8.259 1.989 1.00 10.00 N ATOM 438 CA LEU A 43 0.576 7.718 2.014 1.00 10.00 C ATOM 439 C LEU A 43 0.593 6.249 1.600 1.00 10.00 C ATOM 440 O LEU A 43 -0.080 5.412 2.203 1.00 10.00 O ATOM 441 CB LEU A 43 -0.324 8.530 1.075 1.00 10.00 C ATOM 442 CG LEU A 43 -1.824 8.227 1.152 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.632 9.498 0.946 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.219 7.187 0.115 1.00 10.00 C ATOM 0 H LEU A 43 2.074 8.986 1.289 1.00 10.00 H new ATOM 0 HA LEU A 43 0.180 7.787 3.027 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.176 9.589 1.288 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.008 8.362 0.051 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.038 7.827 2.143 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.696 9.266 1.003 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.376 10.221 1.720 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.405 9.919 -0.033 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.288 6.988 0.188 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.987 7.561 -0.882 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.665 6.266 0.295 1.00 10.00 H new ATOM 456 N MET A 44 1.379 5.945 0.570 1.00 10.00 N ATOM 457 CA MET A 44 1.499 4.581 0.070 1.00 10.00 C ATOM 458 C MET A 44 2.094 3.672 1.140 1.00 10.00 C ATOM 459 O MET A 44 1.573 2.591 1.415 1.00 10.00 O ATOM 460 CB MET A 44 2.374 4.540 -1.189 1.00 10.00 C ATOM 461 CG MET A 44 1.775 5.272 -2.379 1.00 10.00 C ATOM 462 SD MET A 44 2.593 4.867 -3.935 1.00 10.00 S ATOM 463 CE MET A 44 4.149 5.730 -3.741 1.00 10.00 C ATOM 0 H MET A 44 1.943 6.628 0.065 1.00 10.00 H new ATOM 0 HA MET A 44 0.501 4.225 -0.184 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.346 4.976 -0.958 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.548 3.500 -1.465 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.716 5.025 -2.456 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.840 6.347 -2.209 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.819 5.460 -4.557 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.973 6.806 -3.757 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.604 5.451 -2.791 1.00 10.00 H new ATOM 473 N LYS A 45 3.179 4.132 1.752 1.00 10.00 N ATOM 474 CA LYS A 45 3.857 3.371 2.793 1.00 10.00 C ATOM 475 C LYS A 45 2.954 3.179 4.008 1.00 10.00 C ATOM 476 O LYS A 45 2.944 2.111 4.618 1.00 10.00 O ATOM 477 CB LYS A 45 5.155 4.068 3.205 1.00 10.00 C ATOM 478 CG LYS A 45 6.180 4.163 2.083 1.00 10.00 C ATOM 479 CD LYS A 45 7.402 4.953 2.515 1.00 10.00 C ATOM 480 CE LYS A 45 8.357 5.198 1.358 1.00 10.00 C ATOM 481 NZ LYS A 45 9.488 6.080 1.753 1.00 10.00 N ATOM 0 H LYS A 45 3.609 5.033 1.543 1.00 10.00 H new ATOM 0 HA LYS A 45 4.098 2.388 2.388 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.922 5.072 3.558 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.596 3.530 4.044 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.482 3.161 1.778 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.727 4.638 1.213 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.087 5.909 2.934 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.922 4.413 3.307 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.747 4.245 1.000 1.00 10.00 H new ATOM 0 HE3 LYS A 45 7.815 5.652 0.529 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.117 6.224 0.938 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.118 6.998 2.071 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.021 5.635 2.527 1.00 10.00 H new ATOM 495 N ALA A 46 2.186 4.210 4.344 1.00 10.00 N ATOM 496 CA ALA A 46 1.279 4.155 5.486 1.00 10.00 C ATOM 497 C ALA A 46 0.264 3.023 5.334 1.00 10.00 C ATOM 498 O ALA A 46 0.091 2.211 6.246 1.00 10.00 O ATOM 499 CB ALA A 46 0.571 5.488 5.663 1.00 10.00 C ATOM 0 H ALA A 46 2.173 5.097 3.840 1.00 10.00 H new ATOM 0 HA ALA A 46 1.872 3.952 6.378 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.102 5.432 6.518 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.309 6.272 5.833 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.002 5.718 4.765 1.00 10.00 H new ATOM 505 N TYR A 47 -0.394 2.958 4.178 1.00 10.00 N ATOM 506 CA TYR A 47 -1.372 1.906 3.929 1.00 10.00 C ATOM 507 C TYR A 47 -0.671 0.555 3.831 1.00 10.00 C ATOM 508 O TYR A 47 -1.217 -0.475 4.228 1.00 10.00 O ATOM 509 CB TYR A 47 -2.173 2.179 2.653 1.00 10.00 C ATOM 510 CG TYR A 47 -3.200 1.106 2.351 1.00 10.00 C ATOM 511 CD1 TYR A 47 -3.074 0.280 1.238 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.287 0.907 3.194 1.00 10.00 C ATOM 513 CE1 TYR A 47 -4.005 -0.710 0.975 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.222 -0.078 2.935 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.075 -0.885 1.827 1.00 10.00 C ATOM 516 OH TYR A 47 -6.000 -1.875 1.574 1.00 10.00 O ATOM 0 H TYR A 47 -0.268 3.615 3.408 1.00 10.00 H new ATOM 0 HA TYR A 47 -2.071 1.890 4.765 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.678 3.140 2.748 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.486 2.262 1.811 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.237 0.414 0.569 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.403 1.533 4.067 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.894 -1.342 0.107 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.064 -0.215 3.598 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.830 -1.678 2.056 1.00 10.00 H new ATOM 526 N CYS A 48 0.548 0.576 3.309 1.00 10.00 N ATOM 527 CA CYS A 48 1.341 -0.633 3.166 1.00 10.00 C ATOM 528 C CYS A 48 1.619 -1.251 4.535 1.00 10.00 C ATOM 529 O CYS A 48 1.540 -2.472 4.706 1.00 10.00 O ATOM 530 CB CYS A 48 2.652 -0.323 2.450 1.00 10.00 C ATOM 531 SG CYS A 48 3.586 -1.788 1.979 1.00 10.00 S ATOM 0 H CYS A 48 1.009 1.423 2.977 1.00 10.00 H new ATOM 0 HA CYS A 48 0.778 -1.350 2.569 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.437 0.263 1.556 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.271 0.298 3.097 1.00 10.00 H new ATOM 0 HG CYS A 48 3.865 -2.485 3.041 1.00 10.00 H new ATOM 537 N GLU A 49 1.933 -0.397 5.507 1.00 10.00 N ATOM 538 CA GLU A 49 2.204 -0.845 6.868 1.00 10.00 C ATOM 539 C GLU A 49 0.943 -1.432 7.488 1.00 10.00 C ATOM 540 O GLU A 49 1.008 -2.377 8.273 1.00 10.00 O ATOM 541 CB GLU A 49 2.721 0.315 7.722 1.00 10.00 C ATOM 542 CG GLU A 49 4.054 0.869 7.254 1.00 10.00 C ATOM 543 CD GLU A 49 5.120 0.805 8.326 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.283 1.798 9.069 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.802 -0.236 8.427 1.00 10.00 O ATOM 0 H GLU A 49 2.006 0.612 5.375 1.00 10.00 H new ATOM 0 HA GLU A 49 2.972 -1.617 6.832 1.00 10.00 H new ATOM 0 HB2 GLU A 49 1.982 1.116 7.716 1.00 10.00 H new ATOM 0 HB3 GLU A 49 2.819 -0.021 8.754 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.389 0.310 6.380 1.00 10.00 H new ATOM 0 HG3 GLU A 49 3.923 1.904 6.939 1.00 10.00 H new ATOM 552 N ARG A 50 -0.204 -0.868 7.119 1.00 10.00 N ATOM 553 CA ARG A 50 -1.492 -1.342 7.615 1.00 10.00 C ATOM 554 C ARG A 50 -1.734 -2.764 7.118 1.00 10.00 C ATOM 555 O ARG A 50 -2.157 -3.639 7.874 1.00 10.00 O ATOM 556 CB ARG A 50 -2.623 -0.427 7.131 1.00 10.00 C ATOM 557 CG ARG A 50 -3.496 0.144 8.243 1.00 10.00 C ATOM 558 CD ARG A 50 -2.801 1.282 8.971 1.00 10.00 C ATOM 559 NE ARG A 50 -2.650 1.025 10.403 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.620 1.199 11.306 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.862 1.495 10.929 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.357 1.029 12.593 1.00 10.00 N ATOM 0 H ARG A 50 -0.267 -0.079 6.476 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.477 -1.330 8.705 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -2.189 0.399 6.567 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -3.255 -0.986 6.441 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.436 0.501 7.822 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.744 -0.645 8.953 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -1.818 1.444 8.529 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -3.370 2.201 8.829 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.745 0.691 10.734 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.085 1.592 9.938 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.591 1.625 11.631 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.418 0.766 12.891 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.094 1.161 13.286 1.00 10.00 H new ATOM 576 N GLN A 51 -1.447 -2.984 5.838 1.00 10.00 N ATOM 577 CA GLN A 51 -1.614 -4.293 5.218 1.00 10.00 C ATOM 578 C GLN A 51 -0.566 -5.272 5.737 1.00 10.00 C ATOM 579 O GLN A 51 -0.821 -6.470 5.856 1.00 10.00 O ATOM 580 CB GLN A 51 -1.505 -4.178 3.693 1.00 10.00 C ATOM 581 CG GLN A 51 -2.807 -3.795 3.007 1.00 10.00 C ATOM 582 CD GLN A 51 -3.856 -4.887 3.097 1.00 10.00 C ATOM 583 OE1 GLN A 51 -3.535 -6.070 3.203 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.119 -4.500 3.036 1.00 10.00 N ATOM 0 H GLN A 51 -1.095 -2.265 5.206 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.604 -4.668 5.478 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.745 -3.436 3.448 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -1.161 -5.131 3.291 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.197 -2.883 3.459 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -2.609 -3.572 1.959 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.345 -3.509 2.948 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -5.867 -5.192 3.077 1.00 10.00 H new ATOM 593 N GLY A 52 0.613 -4.747 6.049 1.00 10.00 N ATOM 594 CA GLY A 52 1.689 -5.577 6.549 1.00 10.00 C ATOM 595 C GLY A 52 2.450 -6.247 5.427 1.00 10.00 C ATOM 596 O GLY A 52 2.881 -7.392 5.552 1.00 10.00 O ATOM 0 H GLY A 52 0.842 -3.757 5.964 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.374 -4.968 7.139 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.282 -6.337 7.216 1.00 10.00 H new ATOM 600 N LEU A 53 2.612 -5.530 4.325 1.00 10.00 N ATOM 601 CA LEU A 53 3.316 -6.054 3.161 1.00 10.00 C ATOM 602 C LEU A 53 4.414 -5.090 2.729 1.00 10.00 C ATOM 603 O LEU A 53 4.764 -4.164 3.468 1.00 10.00 O ATOM 604 CB LEU A 53 2.332 -6.279 2.006 1.00 10.00 C ATOM 605 CG LEU A 53 1.147 -7.194 2.325 1.00 10.00 C ATOM 606 CD1 LEU A 53 0.067 -7.055 1.264 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.603 -8.640 2.434 1.00 10.00 C ATOM 0 H LEU A 53 2.264 -4.578 4.211 1.00 10.00 H new ATOM 0 HA LEU A 53 3.771 -7.007 3.429 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.946 -5.311 1.685 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.878 -6.700 1.162 1.00 10.00 H new ATOM 0 HG LEU A 53 0.728 -6.892 3.285 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -0.768 -7.712 1.506 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.281 -6.023 1.232 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.475 -7.330 0.291 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.747 -9.275 2.661 1.00 10.00 H new ATOM 0 HD22 LEU A 53 2.047 -8.954 1.489 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.342 -8.729 3.230 1.00 10.00 H new ATOM 619 N SER A 54 4.962 -5.313 1.545 1.00 10.00 N ATOM 620 CA SER A 54 6.011 -4.458 1.013 1.00 10.00 C ATOM 621 C SER A 54 5.418 -3.496 -0.012 1.00 10.00 C ATOM 622 O SER A 54 4.519 -3.864 -0.773 1.00 10.00 O ATOM 623 CB SER A 54 7.114 -5.304 0.370 1.00 10.00 C ATOM 624 OG SER A 54 8.116 -4.489 -0.216 1.00 10.00 O ATOM 0 H SER A 54 4.696 -6.083 0.931 1.00 10.00 H new ATOM 0 HA SER A 54 6.450 -3.884 1.830 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.564 -5.951 1.123 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.680 -5.953 -0.391 1.00 10.00 H new ATOM 0 HG SER A 54 8.807 -5.057 -0.617 1.00 10.00 H new ATOM 630 N MET A 55 5.919 -2.264 -0.034 1.00 10.00 N ATOM 631 CA MET A 55 5.423 -1.254 -0.967 1.00 10.00 C ATOM 632 C MET A 55 5.754 -1.642 -2.403 1.00 10.00 C ATOM 633 O MET A 55 5.160 -1.136 -3.354 1.00 10.00 O ATOM 634 CB MET A 55 6.021 0.118 -0.645 1.00 10.00 C ATOM 635 CG MET A 55 5.263 1.277 -1.278 1.00 10.00 C ATOM 636 SD MET A 55 6.186 2.828 -1.221 1.00 10.00 S ATOM 637 CE MET A 55 7.480 2.498 -2.415 1.00 10.00 C ATOM 0 H MET A 55 6.666 -1.941 0.581 1.00 10.00 H new ATOM 0 HA MET A 55 4.340 -1.198 -0.860 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.038 0.253 0.436 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.056 0.143 -0.985 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.035 1.033 -2.315 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.311 1.407 -0.764 1.00 10.00 H new ATOM 0 HE1 MET A 55 7.896 3.441 -2.771 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.267 1.909 -1.945 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.065 1.943 -3.257 1.00 10.00 H new ATOM 647 N ARG A 56 6.697 -2.559 -2.547 1.00 10.00 N ATOM 648 CA ARG A 56 7.111 -3.032 -3.857 1.00 10.00 C ATOM 649 C ARG A 56 6.164 -4.128 -4.352 1.00 10.00 C ATOM 650 O ARG A 56 6.253 -4.572 -5.497 1.00 10.00 O ATOM 651 CB ARG A 56 8.548 -3.556 -3.790 1.00 10.00 C ATOM 652 CG ARG A 56 9.185 -3.782 -5.150 1.00 10.00 C ATOM 653 CD ARG A 56 10.622 -4.254 -5.026 1.00 10.00 C ATOM 654 NE ARG A 56 10.843 -5.491 -5.767 1.00 10.00 N ATOM 655 CZ ARG A 56 11.518 -5.567 -6.912 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.065 -4.477 -7.453 1.00 10.00 N ATOM 657 NH2 ARG A 56 11.650 -6.741 -7.517 1.00 10.00 N ATOM 0 H ARG A 56 7.192 -2.992 -1.768 1.00 10.00 H new ATOM 0 HA ARG A 56 7.071 -2.202 -4.562 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.157 -2.848 -3.228 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.557 -4.494 -3.235 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.606 -4.520 -5.705 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.154 -2.856 -5.724 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.294 -3.480 -5.398 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.866 -4.409 -3.975 1.00 10.00 H new ATOM 0 HE ARG A 56 10.456 -6.353 -5.383 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.968 -3.574 -6.989 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.580 -4.547 -8.331 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.236 -7.577 -7.104 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.166 -6.807 -8.395 1.00 10.00 H new ATOM 671 N GLN A 57 5.235 -4.531 -3.492 1.00 10.00 N ATOM 672 CA GLN A 57 4.274 -5.575 -3.826 1.00 10.00 C ATOM 673 C GLN A 57 2.963 -4.976 -4.337 1.00 10.00 C ATOM 674 O GLN A 57 2.388 -5.453 -5.317 1.00 10.00 O ATOM 675 CB GLN A 57 4.007 -6.441 -2.595 1.00 10.00 C ATOM 676 CG GLN A 57 3.151 -7.666 -2.872 1.00 10.00 C ATOM 677 CD GLN A 57 2.835 -8.442 -1.608 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.585 -8.396 -0.631 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.722 -9.159 -1.614 1.00 10.00 N ATOM 0 H GLN A 57 5.127 -4.148 -2.553 1.00 10.00 H new ATOM 0 HA GLN A 57 4.697 -6.189 -4.621 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.961 -6.764 -2.178 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.516 -5.832 -1.835 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.221 -7.357 -3.349 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.669 -8.317 -3.576 1.00 10.00 H new ATOM 0 HE21 GLN A 57 1.128 -9.171 -2.443 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.459 -9.699 -0.790 1.00 10.00 H new ATOM 688 N ILE A 58 2.498 -3.925 -3.674 1.00 10.00 N ATOM 689 CA ILE A 58 1.250 -3.273 -4.056 1.00 10.00 C ATOM 690 C ILE A 58 1.495 -2.145 -5.052 1.00 10.00 C ATOM 691 O ILE A 58 2.616 -1.653 -5.189 1.00 10.00 O ATOM 692 CB ILE A 58 0.504 -2.720 -2.825 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.419 -1.807 -2.001 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.029 -3.867 -1.975 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.769 -1.268 -0.745 1.00 10.00 C ATOM 0 H ILE A 58 2.965 -3.506 -2.870 1.00 10.00 H new ATOM 0 HA ILE A 58 0.629 -4.033 -4.531 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.341 -2.124 -3.168 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.317 -2.360 -1.726 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.738 -0.970 -2.622 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.554 -3.464 -1.109 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.717 -4.470 -2.568 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.802 -4.488 -1.640 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.476 -0.631 -0.214 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.113 -0.687 -1.013 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.475 -2.098 -0.102 1.00 10.00 H new ATOM 707 N ARG A 59 0.442 -1.753 -5.756 1.00 10.00 N ATOM 708 CA ARG A 59 0.524 -0.689 -6.747 1.00 10.00 C ATOM 709 C ARG A 59 -0.548 0.362 -6.490 1.00 10.00 C ATOM 710 O ARG A 59 -1.720 0.032 -6.302 1.00 10.00 O ATOM 711 CB ARG A 59 0.355 -1.255 -8.163 1.00 10.00 C ATOM 712 CG ARG A 59 1.421 -2.265 -8.559 1.00 10.00 C ATOM 713 CD ARG A 59 2.795 -1.615 -8.670 1.00 10.00 C ATOM 714 NE ARG A 59 3.841 -2.597 -8.954 1.00 10.00 N ATOM 715 CZ ARG A 59 4.639 -3.130 -8.030 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.509 -2.791 -6.754 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.566 -4.015 -8.382 1.00 10.00 N ATOM 0 H ARG A 59 -0.488 -2.161 -5.657 1.00 10.00 H new ATOM 0 HA ARG A 59 1.507 -0.226 -6.664 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.624 -1.728 -8.239 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.368 -0.431 -8.876 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.456 -3.067 -7.821 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.155 -2.721 -9.513 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.778 -0.863 -9.459 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.027 -1.096 -7.740 1.00 10.00 H new ATOM 0 HE ARG A 59 3.968 -2.893 -9.922 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.795 -2.118 -6.475 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.123 -3.203 -6.052 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.667 -4.286 -9.360 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.177 -4.423 -7.674 1.00 10.00 H new ATOM 731 N PHE A 60 -0.146 1.621 -6.485 1.00 10.00 N ATOM 732 CA PHE A 60 -1.074 2.721 -6.253 1.00 10.00 C ATOM 733 C PHE A 60 -1.362 3.449 -7.557 1.00 10.00 C ATOM 734 O PHE A 60 -0.441 3.814 -8.294 1.00 10.00 O ATOM 735 CB PHE A 60 -0.503 3.701 -5.231 1.00 10.00 C ATOM 736 CG PHE A 60 -0.828 3.358 -3.805 1.00 10.00 C ATOM 737 CD1 PHE A 60 -0.269 2.243 -3.201 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.684 4.157 -3.068 1.00 10.00 C ATOM 739 CE1 PHE A 60 -0.560 1.934 -1.888 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.980 3.852 -1.754 1.00 10.00 C ATOM 741 CZ PHE A 60 -1.418 2.738 -1.163 1.00 10.00 C ATOM 0 H PHE A 60 0.820 1.911 -6.639 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.003 2.307 -5.860 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.580 3.740 -5.346 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.883 4.699 -5.449 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.401 1.610 -3.763 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.126 5.030 -3.526 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -0.117 1.064 -1.427 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.650 4.484 -1.190 1.00 10.00 H new ATOM 0 HZ PHE A 60 -1.649 2.496 -0.136 1.00 10.00 H new ATOM 751 N ARG A 61 -2.638 3.658 -7.846 1.00 10.00 N ATOM 752 CA ARG A 61 -3.038 4.339 -9.067 1.00 10.00 C ATOM 753 C ARG A 61 -4.040 5.449 -8.791 1.00 10.00 C ATOM 754 O ARG A 61 -4.936 5.308 -7.959 1.00 10.00 O ATOM 755 CB ARG A 61 -3.662 3.358 -10.063 1.00 10.00 C ATOM 756 CG ARG A 61 -2.706 2.307 -10.600 1.00 10.00 C ATOM 757 CD ARG A 61 -3.224 1.726 -11.901 1.00 10.00 C ATOM 758 NE ARG A 61 -2.456 0.562 -12.332 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.155 0.303 -13.601 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.486 1.160 -14.559 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.509 -0.811 -13.907 1.00 10.00 N ATOM 0 H ARG A 61 -3.413 3.366 -7.251 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.132 4.773 -9.491 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.500 2.855 -9.581 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.069 3.922 -10.902 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.723 2.750 -10.760 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.582 1.512 -9.865 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.270 1.444 -11.780 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.188 2.490 -12.677 1.00 10.00 H new ATOM 0 HE ARG A 61 -2.131 -0.091 -11.618 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -2.975 2.024 -14.324 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.252 0.955 -15.530 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.245 -1.466 -13.171 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.276 -1.015 -14.879 1.00 10.00 H new ATOM 775 N PHE A 62 -3.874 6.550 -9.505 1.00 10.00 N ATOM 776 CA PHE A 62 -4.768 7.685 -9.399 1.00 10.00 C ATOM 777 C PHE A 62 -5.505 7.845 -10.722 1.00 10.00 C ATOM 778 O PHE A 62 -4.943 8.344 -11.698 1.00 10.00 O ATOM 779 CB PHE A 62 -4.001 8.968 -9.052 1.00 10.00 C ATOM 780 CG PHE A 62 -4.848 10.214 -9.119 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.922 10.390 -8.257 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.574 11.204 -10.051 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.699 11.529 -8.324 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.351 12.345 -10.119 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.415 12.506 -9.255 1.00 10.00 C ATOM 0 H PHE A 62 -3.115 6.680 -10.174 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.480 7.508 -8.593 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.587 8.874 -8.048 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.159 9.074 -9.736 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.152 9.628 -7.527 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.744 11.082 -10.731 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.530 11.655 -7.646 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -5.126 13.110 -10.848 1.00 10.00 H new ATOM 0 HZ PHE A 62 -7.025 13.396 -9.308 1.00 10.00 H new ATOM 795 N ASP A 63 -6.748 7.377 -10.753 1.00 10.00 N ATOM 796 CA ASP A 63 -7.579 7.449 -11.952 1.00 10.00 C ATOM 797 C ASP A 63 -6.900 6.742 -13.128 1.00 10.00 C ATOM 798 O ASP A 63 -6.835 7.267 -14.239 1.00 10.00 O ATOM 799 CB ASP A 63 -7.893 8.906 -12.309 1.00 10.00 C ATOM 800 CG ASP A 63 -9.122 9.032 -13.183 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.200 8.560 -12.762 1.00 10.00 O ATOM 802 OD2 ASP A 63 -9.018 9.603 -14.291 1.00 10.00 O ATOM 0 H ASP A 63 -7.207 6.940 -9.954 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.518 6.938 -11.742 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -8.041 9.478 -11.393 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.038 9.344 -12.824 1.00 10.00 H new ATOM 807 N GLY A 64 -6.384 5.545 -12.872 1.00 10.00 N ATOM 808 CA GLY A 64 -5.720 4.776 -13.912 1.00 10.00 C ATOM 809 C GLY A 64 -4.221 5.007 -13.957 1.00 10.00 C ATOM 810 O GLY A 64 -3.441 4.059 -14.065 1.00 10.00 O ATOM 0 H GLY A 64 -6.413 5.091 -11.959 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -5.914 3.715 -13.751 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.151 5.036 -14.879 1.00 10.00 H new ATOM 814 N GLN A 65 -3.816 6.267 -13.868 1.00 10.00 N ATOM 815 CA GLN A 65 -2.406 6.631 -13.909 1.00 10.00 C ATOM 816 C GLN A 65 -1.701 6.233 -12.613 1.00 10.00 C ATOM 817 O GLN A 65 -2.131 6.617 -11.528 1.00 10.00 O ATOM 818 CB GLN A 65 -2.258 8.137 -14.137 1.00 10.00 C ATOM 819 CG GLN A 65 -2.367 8.544 -15.594 1.00 10.00 C ATOM 820 CD GLN A 65 -1.169 8.105 -16.416 1.00 10.00 C ATOM 821 OE1 GLN A 65 -1.148 7.004 -16.971 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.164 8.962 -16.493 1.00 10.00 N ATOM 0 H GLN A 65 -4.450 7.060 -13.766 1.00 10.00 H new ATOM 0 HA GLN A 65 -1.941 6.093 -14.735 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.024 8.660 -13.564 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.293 8.462 -13.749 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.273 8.113 -16.021 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.469 9.627 -15.658 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.224 9.862 -16.018 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.671 8.722 -17.028 1.00 10.00 H new ATOM 831 N PRO A 66 -0.624 5.436 -12.709 1.00 10.00 N ATOM 832 CA PRO A 66 0.140 5.004 -11.534 1.00 10.00 C ATOM 833 C PRO A 66 0.796 6.181 -10.817 1.00 10.00 C ATOM 834 O PRO A 66 1.315 7.099 -11.454 1.00 10.00 O ATOM 835 CB PRO A 66 1.210 4.065 -12.111 1.00 10.00 C ATOM 836 CG PRO A 66 0.733 3.709 -13.477 1.00 10.00 C ATOM 837 CD PRO A 66 -0.068 4.884 -13.956 1.00 10.00 C ATOM 0 HA PRO A 66 -0.497 4.526 -10.790 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.183 4.556 -12.150 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.327 3.176 -11.492 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.572 3.511 -14.144 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.124 2.805 -13.454 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.554 5.611 -14.477 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.853 4.582 -14.649 1.00 10.00 H new ATOM 845 N ILE A 67 0.765 6.151 -9.492 1.00 10.00 N ATOM 846 CA ILE A 67 1.352 7.214 -8.690 1.00 10.00 C ATOM 847 C ILE A 67 2.842 6.959 -8.481 1.00 10.00 C ATOM 848 O ILE A 67 3.267 5.811 -8.331 1.00 10.00 O ATOM 849 CB ILE A 67 0.647 7.334 -7.318 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.852 7.578 -7.514 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.261 8.455 -6.485 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.646 7.579 -6.223 1.00 10.00 C ATOM 0 H ILE A 67 0.338 5.400 -8.949 1.00 10.00 H new ATOM 0 HA ILE A 67 1.218 8.151 -9.230 1.00 10.00 H new ATOM 0 HB ILE A 67 0.786 6.396 -6.780 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -0.992 8.535 -8.016 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.252 6.809 -8.175 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.748 8.518 -5.526 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.318 8.247 -6.318 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.157 9.401 -7.016 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.698 7.758 -6.443 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.538 6.614 -5.729 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.274 8.366 -5.567 1.00 10.00 H new ATOM 864 N ASN A 68 3.636 8.020 -8.500 1.00 10.00 N ATOM 865 CA ASN A 68 5.073 7.897 -8.303 1.00 10.00 C ATOM 866 C ASN A 68 5.441 8.335 -6.889 1.00 10.00 C ATOM 867 O ASN A 68 4.651 8.989 -6.206 1.00 10.00 O ATOM 868 CB ASN A 68 5.826 8.734 -9.338 1.00 10.00 C ATOM 869 CG ASN A 68 7.288 8.342 -9.469 1.00 10.00 C ATOM 870 OD1 ASN A 68 7.663 7.194 -9.227 1.00 10.00 O ATOM 871 ND2 ASN A 68 8.120 9.292 -9.857 1.00 10.00 N ATOM 0 H ASN A 68 3.310 8.975 -8.650 1.00 10.00 H new ATOM 0 HA ASN A 68 5.361 6.854 -8.433 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.339 8.627 -10.307 1.00 10.00 H new ATOM 0 HB3 ASN A 68 5.761 9.787 -9.063 1.00 10.00 H new ATOM 0 HD21 ASN A 68 9.113 9.087 -9.966 1.00 10.00 H new ATOM 0 HD22 ASN A 68 7.769 10.231 -10.048 1.00 10.00 H new ATOM 878 N GLU A 69 6.649 7.995 -6.460 1.00 10.00 N ATOM 879 CA GLU A 69 7.111 8.330 -5.114 1.00 10.00 C ATOM 880 C GLU A 69 7.490 9.808 -4.978 1.00 10.00 C ATOM 881 O GLU A 69 8.033 10.217 -3.952 1.00 10.00 O ATOM 882 CB GLU A 69 8.309 7.456 -4.734 1.00 10.00 C ATOM 883 CG GLU A 69 8.023 5.965 -4.795 1.00 10.00 C ATOM 884 CD GLU A 69 8.716 5.293 -5.959 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.966 5.255 -5.974 1.00 10.00 O ATOM 886 OE2 GLU A 69 8.020 4.796 -6.866 1.00 10.00 O ATOM 0 H GLU A 69 7.330 7.486 -7.024 1.00 10.00 H new ATOM 0 HA GLU A 69 6.280 8.138 -4.435 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.140 7.685 -5.401 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.630 7.714 -3.725 1.00 10.00 H new ATOM 0 HG2 GLU A 69 8.345 5.497 -3.865 1.00 10.00 H new ATOM 0 HG3 GLU A 69 6.948 5.807 -4.875 1.00 10.00 H new ATOM 893 N THR A 70 7.204 10.608 -5.991 1.00 10.00 N ATOM 894 CA THR A 70 7.534 12.025 -5.939 1.00 10.00 C ATOM 895 C THR A 70 6.320 12.896 -6.250 1.00 10.00 C ATOM 896 O THR A 70 6.461 14.079 -6.566 1.00 10.00 O ATOM 897 CB THR A 70 8.663 12.358 -6.929 1.00 10.00 C ATOM 898 OG1 THR A 70 8.522 11.555 -8.108 1.00 10.00 O ATOM 899 CG2 THR A 70 10.029 12.115 -6.301 1.00 10.00 C ATOM 0 H THR A 70 6.748 10.306 -6.852 1.00 10.00 H new ATOM 0 HA THR A 70 7.865 12.239 -4.923 1.00 10.00 H new ATOM 0 HB THR A 70 8.590 13.413 -7.192 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.241 11.770 -8.738 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.809 12.358 -7.022 1.00 10.00 H new ATOM 0 HG22 THR A 70 10.141 12.745 -5.419 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.116 11.068 -6.012 1.00 10.00 H new ATOM 907 N ASP A 71 5.132 12.312 -6.153 1.00 10.00 N ATOM 908 CA ASP A 71 3.900 13.044 -6.438 1.00 10.00 C ATOM 909 C ASP A 71 3.208 13.484 -5.152 1.00 10.00 C ATOM 910 O ASP A 71 3.350 12.849 -4.103 1.00 10.00 O ATOM 911 CB ASP A 71 2.939 12.188 -7.275 1.00 10.00 C ATOM 912 CG ASP A 71 3.470 11.889 -8.665 1.00 10.00 C ATOM 913 OD1 ASP A 71 4.005 12.812 -9.314 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.358 10.724 -9.109 1.00 10.00 O ATOM 0 H ASP A 71 4.994 11.339 -5.881 1.00 10.00 H new ATOM 0 HA ASP A 71 4.173 13.933 -7.007 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.750 11.249 -6.754 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.982 12.703 -7.360 1.00 10.00 H new ATOM 919 N THR A 72 2.471 14.582 -5.240 1.00 10.00 N ATOM 920 CA THR A 72 1.735 15.120 -4.107 1.00 10.00 C ATOM 921 C THR A 72 0.271 15.315 -4.496 1.00 10.00 C ATOM 922 O THR A 72 -0.046 15.355 -5.688 1.00 10.00 O ATOM 923 CB THR A 72 2.330 16.469 -3.644 1.00 10.00 C ATOM 924 OG1 THR A 72 2.738 17.239 -4.780 1.00 10.00 O ATOM 925 CG2 THR A 72 3.518 16.257 -2.719 1.00 10.00 C ATOM 0 H THR A 72 2.367 15.124 -6.098 1.00 10.00 H new ATOM 0 HA THR A 72 1.811 14.411 -3.282 1.00 10.00 H new ATOM 0 HB THR A 72 1.558 17.007 -3.094 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.200 18.056 -4.832 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.915 17.224 -2.410 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.199 15.698 -1.840 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.292 15.697 -3.244 1.00 10.00 H new ATOM 933 N PRO A 73 -0.647 15.421 -3.516 1.00 10.00 N ATOM 934 CA PRO A 73 -2.075 15.620 -3.793 1.00 10.00 C ATOM 935 C PRO A 73 -2.324 16.828 -4.695 1.00 10.00 C ATOM 936 O PRO A 73 -3.044 16.739 -5.687 1.00 10.00 O ATOM 937 CB PRO A 73 -2.680 15.856 -2.407 1.00 10.00 C ATOM 938 CG PRO A 73 -1.747 15.185 -1.465 1.00 10.00 C ATOM 939 CD PRO A 73 -0.376 15.331 -2.067 1.00 10.00 C ATOM 0 HA PRO A 73 -2.510 14.771 -4.321 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.765 16.921 -2.189 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.683 15.435 -2.337 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.791 15.645 -0.478 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.008 14.134 -1.339 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.133 16.221 -1.697 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.260 14.478 -1.829 1.00 10.00 H new ATOM 947 N ALA A 74 -1.708 17.953 -4.349 1.00 10.00 N ATOM 948 CA ALA A 74 -1.860 19.178 -5.124 1.00 10.00 C ATOM 949 C ALA A 74 -1.213 19.049 -6.502 1.00 10.00 C ATOM 950 O ALA A 74 -1.677 19.646 -7.470 1.00 10.00 O ATOM 951 CB ALA A 74 -1.264 20.354 -4.369 1.00 10.00 C ATOM 0 H ALA A 74 -1.098 18.042 -3.536 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.926 19.353 -5.271 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -1.384 21.263 -4.958 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.776 20.471 -3.414 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -0.204 20.173 -4.192 1.00 10.00 H new ATOM 957 N GLN A 75 -0.151 18.250 -6.586 1.00 10.00 N ATOM 958 CA GLN A 75 0.561 18.041 -7.845 1.00 10.00 C ATOM 959 C GLN A 75 -0.355 17.418 -8.889 1.00 10.00 C ATOM 960 O GLN A 75 -0.327 17.794 -10.060 1.00 10.00 O ATOM 961 CB GLN A 75 1.774 17.134 -7.622 1.00 10.00 C ATOM 962 CG GLN A 75 2.806 17.196 -8.735 1.00 10.00 C ATOM 963 CD GLN A 75 3.326 18.601 -8.964 1.00 10.00 C ATOM 964 OE1 GLN A 75 4.254 19.051 -8.290 1.00 10.00 O ATOM 965 NE2 GLN A 75 2.739 19.297 -9.924 1.00 10.00 N ATOM 0 H GLN A 75 0.236 17.736 -5.795 1.00 10.00 H new ATOM 0 HA GLN A 75 0.897 19.012 -8.208 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.252 17.409 -6.682 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.431 16.105 -7.516 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.640 16.538 -8.490 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.364 16.820 -9.658 1.00 10.00 H new ATOM 0 HE21 GLN A 75 1.974 18.885 -10.458 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.052 20.246 -10.130 1.00 10.00 H new ATOM 974 N LEU A 76 -1.169 16.469 -8.451 1.00 10.00 N ATOM 975 CA LEU A 76 -2.095 15.782 -9.339 1.00 10.00 C ATOM 976 C LEU A 76 -3.473 16.441 -9.311 1.00 10.00 C ATOM 977 O LEU A 76 -4.456 15.859 -9.775 1.00 10.00 O ATOM 978 CB LEU A 76 -2.202 14.309 -8.941 1.00 10.00 C ATOM 979 CG LEU A 76 -0.888 13.524 -8.978 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.088 12.123 -8.424 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.346 13.460 -10.399 1.00 10.00 C ATOM 0 H LEU A 76 -1.207 16.156 -7.481 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.711 15.850 -10.357 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.612 14.251 -7.933 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.916 13.821 -9.605 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.161 14.042 -8.353 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.144 11.580 -8.458 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.433 12.186 -7.392 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.831 11.597 -9.024 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.588 12.899 -10.407 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.072 12.965 -11.044 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.165 14.471 -10.765 1.00 10.00 H new ATOM 993 N GLU A 77 -3.529 17.656 -8.755 1.00 10.00 N ATOM 994 CA GLU A 77 -4.770 18.427 -8.659 1.00 10.00 C ATOM 995 C GLU A 77 -5.881 17.613 -7.995 1.00 10.00 C ATOM 996 O GLU A 77 -7.041 17.663 -8.415 1.00 10.00 O ATOM 997 CB GLU A 77 -5.209 18.892 -10.049 1.00 10.00 C ATOM 998 CG GLU A 77 -4.244 19.878 -10.684 1.00 10.00 C ATOM 999 CD GLU A 77 -4.453 21.293 -10.191 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -5.074 22.094 -10.918 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.005 21.613 -9.071 1.00 10.00 O ATOM 0 H GLU A 77 -2.717 18.130 -8.360 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.578 19.300 -8.035 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -5.311 18.024 -10.700 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -6.194 19.353 -9.976 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.221 19.569 -10.469 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.364 19.853 -11.767 1.00 10.00 H new ATOM 1008 N MET A 78 -5.518 16.879 -6.955 1.00 10.00 N ATOM 1009 CA MET A 78 -6.469 16.047 -6.234 1.00 10.00 C ATOM 1010 C MET A 78 -7.243 16.878 -5.229 1.00 10.00 C ATOM 1011 O MET A 78 -6.688 17.771 -4.589 1.00 10.00 O ATOM 1012 CB MET A 78 -5.749 14.907 -5.509 1.00 10.00 C ATOM 1013 CG MET A 78 -4.900 14.043 -6.422 1.00 10.00 C ATOM 1014 SD MET A 78 -3.793 12.943 -5.517 1.00 10.00 S ATOM 1015 CE MET A 78 -4.970 11.812 -4.777 1.00 10.00 C ATOM 0 H MET A 78 -4.566 16.843 -6.590 1.00 10.00 H new ATOM 0 HA MET A 78 -7.163 15.622 -6.959 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.115 15.328 -4.729 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.489 14.279 -5.014 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.552 13.448 -7.061 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.311 14.685 -7.077 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.485 10.854 -4.590 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.330 12.227 -3.836 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.811 11.667 -5.455 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.522 16.582 -5.092 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.370 17.304 -4.163 1.00 10.00 C ATOM 1027 C GLU A 79 -9.895 16.366 -3.083 1.00 10.00 C ATOM 1028 O GLU A 79 -9.531 15.190 -3.042 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.529 17.975 -4.903 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.101 19.155 -5.764 1.00 10.00 C ATOM 1031 CD GLU A 79 -9.280 20.172 -4.995 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -9.672 20.531 -3.865 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -8.241 20.626 -5.514 1.00 10.00 O ATOM 0 H GLU A 79 -8.997 15.845 -5.613 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.774 18.081 -3.685 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.023 17.236 -5.534 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.265 18.315 -4.175 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.520 18.790 -6.611 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -10.987 19.642 -6.172 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.740 16.891 -2.212 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.314 16.104 -1.125 1.00 10.00 C ATOM 1042 C ASP A 80 -12.237 15.019 -1.658 1.00 10.00 C ATOM 1043 O ASP A 80 -12.821 15.168 -2.734 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.094 17.003 -0.167 1.00 10.00 C ATOM 1045 CG ASP A 80 -11.309 17.368 1.075 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -10.451 18.265 1.002 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.572 16.786 2.144 1.00 10.00 O ATOM 0 H ASP A 80 -11.047 17.863 -2.234 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.489 15.632 -0.592 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -12.383 17.916 -0.688 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.014 16.499 0.127 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.340 13.925 -0.902 1.00 10.00 N ATOM 1053 CA GLU A 81 -13.203 12.791 -1.241 1.00 10.00 C ATOM 1054 C GLU A 81 -12.705 12.021 -2.464 1.00 10.00 C ATOM 1055 O GLU A 81 -13.439 11.208 -3.032 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.644 13.254 -1.462 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.428 13.438 -0.174 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.689 12.125 0.534 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.439 11.286 -0.014 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -15.157 11.923 1.644 1.00 10.00 O ATOM 0 H GLU A 81 -11.824 13.799 -0.031 1.00 10.00 H new ATOM 0 HA GLU A 81 -13.171 12.108 -0.392 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.634 14.197 -2.009 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.158 12.526 -2.090 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.878 14.104 0.491 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -16.378 13.923 -0.396 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.462 12.256 -2.861 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.903 11.559 -4.012 1.00 10.00 C ATOM 1069 C ASP A 82 -10.545 10.133 -3.625 1.00 10.00 C ATOM 1070 O ASP A 82 -10.118 9.881 -2.497 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.673 12.277 -4.559 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.654 12.286 -6.071 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.920 11.226 -6.682 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.395 13.356 -6.661 1.00 10.00 O ATOM 0 H ASP A 82 -10.828 12.915 -2.410 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.658 11.546 -4.799 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.656 13.302 -4.189 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.772 11.789 -4.187 1.00 10.00 H new ATOM 1079 N THR A 83 -10.720 9.203 -4.550 1.00 10.00 N ATOM 1080 CA THR A 83 -10.437 7.805 -4.276 1.00 10.00 C ATOM 1081 C THR A 83 -9.194 7.316 -5.008 1.00 10.00 C ATOM 1082 O THR A 83 -9.026 7.545 -6.206 1.00 10.00 O ATOM 1083 CB THR A 83 -11.640 6.924 -4.660 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.834 7.468 -4.079 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.451 5.491 -4.185 1.00 10.00 C ATOM 0 H THR A 83 -11.056 9.391 -5.495 1.00 10.00 H new ATOM 0 HA THR A 83 -10.250 7.724 -3.205 1.00 10.00 H new ATOM 0 HB THR A 83 -11.723 6.913 -5.747 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.601 6.909 -4.324 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.318 4.895 -4.472 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.555 5.071 -4.642 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.345 5.478 -3.100 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.322 6.649 -4.265 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.096 6.092 -4.811 1.00 10.00 C ATOM 1095 C ILE A 84 -7.233 4.573 -4.893 1.00 10.00 C ATOM 1096 O ILE A 84 -7.660 3.936 -3.927 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.869 6.459 -3.946 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.796 7.975 -3.742 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.588 5.938 -4.584 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.746 8.402 -2.741 1.00 10.00 C ATOM 0 H ILE A 84 -8.446 6.480 -3.267 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.939 6.513 -5.804 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.978 5.985 -2.970 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.588 8.452 -4.700 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.770 8.336 -3.411 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.735 6.206 -3.960 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.643 4.853 -4.677 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.468 6.381 -5.573 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.752 9.488 -2.648 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.964 7.954 -1.772 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.764 8.072 -3.081 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.890 4.005 -6.040 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.005 2.564 -6.247 1.00 10.00 C ATOM 1114 C ASP A 85 -5.689 1.856 -5.949 1.00 10.00 C ATOM 1115 O ASP A 85 -4.617 2.320 -6.347 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.434 2.261 -7.686 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.729 2.946 -8.073 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.809 2.375 -7.820 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.672 4.058 -8.643 1.00 10.00 O ATOM 0 H ASP A 85 -6.529 4.519 -6.844 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.763 2.193 -5.558 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.645 2.575 -8.369 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -7.549 1.184 -7.806 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.774 0.735 -5.242 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.594 -0.049 -4.897 1.00 10.00 C ATOM 1126 C VAL A 86 -4.706 -1.461 -5.458 1.00 10.00 C ATOM 1127 O VAL A 86 -5.665 -2.178 -5.175 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.388 -0.134 -3.370 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.174 -0.986 -3.030 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.242 1.255 -2.780 1.00 10.00 C ATOM 0 H VAL A 86 -6.652 0.347 -4.895 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.736 0.459 -5.337 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.267 -0.609 -2.934 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.052 -1.029 -1.948 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.316 -1.994 -3.420 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.283 -0.546 -3.479 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.097 1.179 -1.702 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.381 1.752 -3.228 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.142 1.834 -2.985 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.726 -1.849 -6.255 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.699 -3.174 -6.854 1.00 10.00 C ATOM 1142 C PHE A 87 -2.479 -3.938 -6.359 1.00 10.00 C ATOM 1143 O PHE A 87 -1.691 -3.414 -5.572 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.657 -3.075 -8.382 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.809 -2.316 -8.980 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -6.029 -2.936 -9.193 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.667 -0.985 -9.335 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.087 -2.241 -9.746 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.721 -0.285 -9.887 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.933 -0.914 -10.093 1.00 10.00 C ATOM 0 H PHE A 87 -2.931 -1.260 -6.505 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.606 -3.704 -6.563 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.725 -2.593 -8.679 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.643 -4.081 -8.800 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -6.155 -3.974 -8.924 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.721 -0.489 -9.178 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -8.034 -2.735 -9.907 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.598 0.753 -10.157 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.759 -0.368 -10.525 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.330 -5.173 -6.809 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.191 -5.991 -6.424 1.00 10.00 C ATOM 1162 C GLN A 88 -0.442 -6.462 -7.661 1.00 10.00 C ATOM 1163 O GLN A 88 -1.052 -6.729 -8.698 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.635 -7.198 -5.595 1.00 10.00 C ATOM 1165 CG GLN A 88 -1.768 -6.897 -4.109 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.290 -8.037 -3.228 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.400 -8.805 -3.604 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -1.870 -8.153 -2.045 1.00 10.00 N ATOM 0 H GLN A 88 -2.985 -5.632 -7.442 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.528 -5.379 -5.812 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.593 -7.556 -5.972 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.917 -8.007 -5.731 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.197 -5.999 -3.873 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -2.811 -6.681 -3.880 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -2.602 -7.499 -1.770 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.585 -8.897 -1.408 1.00 10.00 H new ATOM 1177 N GLN A 89 0.876 -6.553 -7.548 1.00 10.00 N ATOM 1178 CA GLN A 89 1.708 -6.995 -8.656 1.00 10.00 C ATOM 1179 C GLN A 89 1.574 -8.501 -8.851 1.00 10.00 C ATOM 1180 O GLN A 89 1.362 -9.244 -7.891 1.00 10.00 O ATOM 1181 CB GLN A 89 3.169 -6.613 -8.398 1.00 10.00 C ATOM 1182 CG GLN A 89 4.085 -6.790 -9.603 1.00 10.00 C ATOM 1183 CD GLN A 89 3.665 -5.963 -10.805 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.040 -4.908 -10.671 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.027 -6.418 -11.991 1.00 10.00 N ATOM 0 H GLN A 89 1.392 -6.326 -6.698 1.00 10.00 H new ATOM 0 HA GLN A 89 1.374 -6.501 -9.568 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.209 -5.573 -8.076 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.550 -7.217 -7.574 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.102 -6.517 -9.321 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.104 -7.843 -9.884 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.543 -7.295 -12.065 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.790 -5.893 -12.833 1.00 10.00 H new ATOM 1194 N GLN A 90 1.697 -8.940 -10.095 1.00 10.00 N ATOM 1195 CA GLN A 90 1.583 -10.353 -10.429 1.00 10.00 C ATOM 1196 C GLN A 90 2.789 -11.128 -9.918 1.00 10.00 C ATOM 1197 O GLN A 90 3.900 -10.597 -9.850 1.00 10.00 O ATOM 1198 CB GLN A 90 1.442 -10.535 -11.943 1.00 10.00 C ATOM 1199 CG GLN A 90 0.165 -9.941 -12.517 1.00 10.00 C ATOM 1200 CD GLN A 90 0.244 -8.435 -12.685 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.317 -7.881 -12.928 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.886 -7.764 -12.548 1.00 10.00 N ATOM 0 H GLN A 90 1.877 -8.334 -10.895 1.00 10.00 H new ATOM 0 HA GLN A 90 0.690 -10.745 -9.943 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.299 -10.076 -12.436 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.473 -11.599 -12.176 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -0.042 -10.400 -13.484 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.671 -10.186 -11.862 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.753 -8.262 -12.347 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -0.891 -6.748 -12.643 1.00 10.00 H new ATOM 1211 N THR A 91 2.564 -12.383 -9.565 1.00 10.00 N ATOM 1212 CA THR A 91 3.620 -13.239 -9.057 1.00 10.00 C ATOM 1213 C THR A 91 4.400 -13.890 -10.196 1.00 10.00 C ATOM 1214 O THR A 91 5.612 -14.089 -10.098 1.00 10.00 O ATOM 1215 CB THR A 91 3.035 -14.327 -8.144 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.656 -14.545 -8.476 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.152 -13.929 -6.679 1.00 10.00 C ATOM 0 H THR A 91 1.651 -12.833 -9.622 1.00 10.00 H new ATOM 0 HA THR A 91 4.304 -12.615 -8.482 1.00 10.00 H new ATOM 0 HB THR A 91 3.601 -15.246 -8.297 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.285 -15.241 -7.894 1.00 10.00 H new ATOM 0 HG21 THR A 91 2.731 -14.716 -6.053 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.202 -13.785 -6.424 1.00 10.00 H new ATOM 0 HG23 THR A 91 2.607 -13.000 -6.510 1.00 10.00 H new ATOM 1225 N GLY A 92 3.703 -14.209 -11.277 1.00 10.00 N ATOM 1226 CA GLY A 92 4.344 -14.831 -12.412 1.00 10.00 C ATOM 1227 C GLY A 92 3.629 -14.513 -13.705 1.00 10.00 C ATOM 1228 O GLY A 92 2.399 -14.284 -13.667 1.00 10.00 O ATOM 0 H GLY A 92 2.702 -14.047 -11.386 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.378 -14.492 -12.476 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.371 -15.911 -12.268 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.709 -3.186 6.169 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.852 -1.999 5.956 1.00 10.00 C ATOM 1235 C ASN B 357 -17.565 -2.131 6.757 1.00 10.00 C ATOM 1236 O ASN B 357 -17.602 -2.376 7.964 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.600 -0.729 6.390 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.719 0.512 6.398 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.848 0.681 5.545 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.938 1.386 7.373 1.00 10.00 N ATOM 0 HA ASN B 357 -18.607 -1.929 4.896 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.443 -0.564 5.719 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -20.012 -0.881 7.388 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.374 2.234 7.434 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.670 1.210 8.061 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.428 -1.999 6.092 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.148 -2.078 6.779 1.00 10.00 C ATOM 1249 C ASN B 358 -14.414 -0.764 6.579 1.00 10.00 C ATOM 1250 O ASN B 358 -14.175 -0.338 5.448 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.343 -3.256 6.214 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.860 -3.230 6.546 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.442 -2.770 7.607 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -12.055 -3.759 5.630 1.00 10.00 N ATOM 0 H ASN B 358 -16.365 -1.838 5.087 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.289 -2.245 7.847 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.770 -4.185 6.593 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -14.458 -3.271 5.130 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -11.049 -3.794 5.794 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -12.443 -4.130 4.763 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.069 -0.121 7.682 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.366 1.147 7.617 1.00 10.00 C ATOM 1263 C ARG B 359 -12.102 1.117 8.459 1.00 10.00 C ATOM 1264 O ARG B 359 -12.120 0.686 9.613 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.287 2.313 8.009 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.719 2.321 9.463 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.583 3.535 9.773 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.802 3.706 11.207 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.489 4.713 11.742 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.009 5.657 10.964 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.652 4.782 13.058 1.00 10.00 N ATOM 0 H ARG B 359 -14.263 -0.454 8.626 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.061 1.310 6.583 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.776 3.251 7.791 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.177 2.282 7.380 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.274 1.410 9.685 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.839 2.323 10.107 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.107 4.429 9.371 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.545 3.432 9.270 1.00 10.00 H new ATOM 0 HE ARG B 359 -15.404 3.010 11.838 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.882 5.612 9.953 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.535 6.427 11.378 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.251 4.063 13.660 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.179 5.554 13.467 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.008 1.543 7.863 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.725 1.600 8.550 1.00 10.00 C ATOM 1287 C ASP B 360 -9.261 3.052 8.563 1.00 10.00 C ATOM 1288 O ASP B 360 -9.358 3.736 7.547 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.683 0.700 7.878 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.496 0.417 8.785 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.491 1.148 8.705 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.574 -0.544 9.584 1.00 10.00 O ATOM 0 H ASP B 360 -10.978 1.859 6.894 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.842 1.232 9.569 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.151 -0.242 7.590 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.332 1.175 6.962 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.777 3.573 9.696 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.364 4.963 9.779 1.00 10.00 C ATOM 1299 C PRO B 361 -6.851 5.145 9.900 1.00 10.00 C ATOM 1300 O PRO B 361 -6.195 4.577 10.774 1.00 10.00 O ATOM 1301 CB PRO B 361 -9.033 5.362 11.096 1.00 10.00 C ATOM 1302 CG PRO B 361 -9.030 4.105 11.934 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.721 2.942 11.011 1.00 10.00 C ATOM 0 HA PRO B 361 -8.633 5.541 8.895 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.486 6.166 11.589 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -10.048 5.723 10.929 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.284 4.174 12.726 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.997 3.964 12.417 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.741 2.509 11.214 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.451 2.138 11.109 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.316 5.966 9.001 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.891 6.242 8.947 1.00 10.00 C ATOM 1313 C ILE B 362 -4.609 7.733 9.093 1.00 10.00 C ATOM 1314 O ILE B 362 -5.255 8.576 8.473 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.258 5.700 7.647 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.680 4.232 7.445 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.738 5.827 7.693 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.950 3.508 6.330 1.00 10.00 C ATOM 0 H ILE B 362 -6.861 6.456 8.292 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.432 5.723 9.789 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.614 6.291 6.803 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.519 3.691 8.377 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.750 4.201 7.240 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.312 5.439 6.767 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.464 6.876 7.807 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.351 5.257 8.537 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.313 2.483 6.263 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.131 4.019 5.385 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.880 3.501 6.540 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.628 8.042 9.917 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.236 9.411 10.183 1.00 10.00 C ATOM 1332 C VAL B 363 -1.817 9.621 9.687 1.00 10.00 C ATOM 1333 O VAL B 363 -0.941 8.769 9.868 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.343 9.765 11.685 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.089 11.247 11.920 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.706 9.364 12.234 1.00 10.00 C ATOM 0 H VAL B 363 -3.078 7.348 10.423 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.920 10.075 9.654 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.575 9.203 12.217 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.171 11.466 12.985 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.088 11.504 11.573 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.826 11.834 11.371 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.762 9.621 13.292 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.488 9.894 11.690 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.845 8.290 12.114 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.603 10.757 9.066 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.329 11.089 8.477 1.00 10.00 C ATOM 1348 C ILE B 364 0.333 12.175 9.292 1.00 10.00 C ATOM 1349 O ILE B 364 -0.322 13.098 9.781 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.477 11.531 6.994 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.340 10.629 6.076 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.054 12.983 6.788 1.00 10.00 C ATOM 1353 CD1 ILE B 364 -0.101 9.182 6.094 1.00 10.00 C ATOM 0 H ILE B 364 -2.313 11.481 8.955 1.00 10.00 H new ATOM 0 HA ILE B 364 0.295 10.196 8.484 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.534 11.443 6.742 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.273 11.007 5.056 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.389 10.683 6.368 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.173 13.251 5.738 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -0.677 13.634 7.402 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.990 13.102 7.077 1.00 10.00 H new ATOM 0 HD11 ILE B 364 0.526 8.602 5.417 1.00 10.00 H new ATOM 0 HD12 ILE B 364 -0.007 8.786 7.105 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -1.140 9.114 5.773 1.00 10.00 H new HETATM 1365 N SEP B 365 1.635 12.047 9.455 1.00 10.00 N HETATM 1366 CA SEP B 365 2.375 12.985 10.255 1.00 10.00 C HETATM 1367 CB SEP B 365 3.324 12.175 11.145 1.00 10.00 C HETATM 1368 OG SEP B 365 3.429 10.834 10.657 1.00 10.00 O HETATM 1369 C SEP B 365 3.170 13.901 9.343 1.00 10.00 C HETATM 1370 O SEP B 365 3.975 13.468 8.516 1.00 10.00 O HETATM 1371 P SEP B 365 4.744 9.955 10.913 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.871 9.451 12.287 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.987 10.531 10.364 1.00 10.00 O HETATM 1374 O3P SEP B 365 4.522 8.632 10.036 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.308 12.643 11.161 1.00 10.00 H new HETATM 0 HB2 SEP B 365 2.957 12.169 12.171 1.00 10.00 H new HETATM 0 HA SEP B 365 1.710 13.596 10.865 1.00 10.00 H new HETATM 0 H SEP B 365 1.804 11.046 9.556 1.00 10.00 H new ATOM 1379 N ASP B 366 2.892 15.178 9.503 1.00 10.00 N ATOM 1380 CA ASP B 366 3.499 16.221 8.710 1.00 10.00 C ATOM 1381 C ASP B 366 4.115 17.284 9.600 1.00 10.00 C ATOM 1382 O ASP B 366 3.497 17.684 10.590 1.00 10.00 O ATOM 1383 CB ASP B 366 2.450 16.836 7.792 1.00 10.00 C ATOM 1384 CG ASP B 366 3.046 17.703 6.706 1.00 10.00 C ATOM 1385 OD1 ASP B 366 3.114 18.932 6.899 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.422 17.162 5.648 1.00 10.00 O ATOM 0 H ASP B 366 2.229 15.523 10.197 1.00 10.00 H new ATOM 0 HA ASP B 366 4.296 15.788 8.105 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.866 16.039 7.332 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.760 17.434 8.388 1.00 10.00 H new HETATM 1391 N SEP B 367 5.327 17.701 9.286 1.00 10.00 N HETATM 1392 CA SEP B 367 6.016 18.742 10.045 1.00 10.00 C HETATM 1393 CB SEP B 367 7.346 19.027 9.363 1.00 10.00 C HETATM 1394 OG SEP B 367 7.888 17.822 8.837 1.00 10.00 O HETATM 1395 C SEP B 367 5.159 20.023 10.142 1.00 10.00 C HETATM 1396 O SEP B 367 4.235 20.215 9.348 1.00 10.00 O HETATM 1397 P SEP B 367 9.390 17.765 8.301 1.00 10.00 P HETATM 1398 O1P SEP B 367 10.386 18.299 9.240 1.00 10.00 O HETATM 1399 O2P SEP B 367 9.760 16.465 7.717 1.00 10.00 O HETATM 1400 O3P SEP B 367 9.425 18.781 7.067 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.206 19.753 8.562 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.043 19.469 10.075 1.00 10.00 H new HETATM 0 HA SEP B 367 6.188 18.399 11.065 1.00 10.00 H new HETATM 0 H SEP B 367 5.762 17.304 8.453 1.00 10.00 H new ATOM 1405 N PRO B 368 5.461 20.917 11.114 1.00 10.00 N ATOM 1406 CA PRO B 368 4.709 22.170 11.326 1.00 10.00 C ATOM 1407 C PRO B 368 4.439 22.948 10.039 1.00 10.00 C ATOM 1408 O PRO B 368 3.285 23.392 9.842 1.00 10.00 O ATOM 1409 CB PRO B 368 5.622 22.977 12.246 1.00 10.00 C ATOM 1410 CG PRO B 368 6.400 21.960 13.003 1.00 10.00 C ATOM 1411 CD PRO B 368 6.567 20.777 12.084 1.00 10.00 C ATOM 0 HA PRO B 368 3.719 21.969 11.734 1.00 10.00 H new ATOM 0 HB2 PRO B 368 6.279 23.632 11.674 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.044 23.612 12.917 1.00 10.00 H new ATOM 0 HG2 PRO B 368 7.369 22.358 13.303 1.00 10.00 H new ATOM 0 HG3 PRO B 368 5.877 21.672 13.915 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.537 20.791 11.587 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.502 19.836 12.630 1.00 10.00 H new TER 1419 PRO B 368