USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= -0.65 K(o=-2.4,f=-4.8!) USER MOD Set 1.2: A 52 THR OG1 : rot 83:sc= 1.18 USER MOD Set 1.3: A 110 TYR OH : rot 180:sc= 0.391 USER MOD Set 1.4: A 112 HIS : no HE2:sc= -3.36! K(o=-2.4!,f=-1.7) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -0.798 K(o=-0.8,f=0) USER MOD Set 2.2: A 109 ASN : amide:sc= 0 X(o=-0.8,f=-0.75) USER MOD Set 3.1: A 68 HIS : no HD1:sc=-0.00822 X(o=-0.028,f=-0.0051) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= -0.0202 USER MOD Set 4.1: A 76 ASN : amide:sc= 0.504 K(o=1,f=0.085) USER MOD Set 4.2: A 80 SER OG : rot 180:sc= 0.00383 USER MOD Set 4.3: A 82 THR OG1 : rot 107:sc= 0.535 USER MOD Set 5.1: A 34 ASN : amide:sc= 0.725 K(o=0.56,f=-3.3!) USER MOD Set 5.2: A 36 ASN : amide:sc= -0.161 K(o=0.56,f=-3.3) USER MOD Set 6.1: A 21 TYR OH : rot -78:sc= 0.764 USER MOD Set 6.2: A 30 SER OG : rot -55:sc= 0.807 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 51:sc= 0.149 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.7!) USER MOD Single : A 7 SER OG : rot -162:sc= 0.568 USER MOD Single : A 9 ASN : amide:sc= -3.81! C(o=-3.8!,f=-6.2!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc=0.000463 USER MOD Single : A 15 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.1!) USER MOD Single : A 16 CYS SG : rot -111:sc= 0.4 USER MOD Single : A 17 THR OG1 : rot 149:sc= 0.0313 USER MOD Single : A 19 TYR OH : rot -130:sc= 1.27 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -35:sc= 0.458 USER MOD Single : A 37 ASN : amide:sc= -0.87 K(o=-0.87,f=-0.089) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 48 THR OG1 : rot 92:sc= 0.0272 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.76 K(o=-1.8,f=-9.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00132 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0786 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.378 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0986 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 175:sc= -0.771 (180deg=-0.788) USER MOD Single : A 87 ASN : amide:sc= 0.839 K(o=0.84,f=-5.9!) USER MOD Single : A 89 SER OG : rot -8:sc= 0.95 USER MOD Single : A 94 SER OG : rot -170:sc= 0 USER MOD Single : A 96 SER OG : rot 48:sc= 0.57 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 83:sc= 0.0118 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00264 USER MOD Single : A 107 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.1) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.557 3.422 3.081 1.00 0.00 N ATOM 2 CA GLY A 1 -25.091 3.221 3.177 1.00 0.00 C ATOM 3 C GLY A 1 -24.518 3.872 4.415 1.00 0.00 C ATOM 4 O GLY A 1 -24.337 5.089 4.456 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.915 2.962 2.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.020 3.005 3.914 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.766 4.440 3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.870 2.154 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.608 3.634 2.292 1.00 0.00 H new ATOM 10 N SER A 2 -24.245 3.064 5.426 1.00 0.00 N ATOM 11 CA SER A 2 -23.723 3.562 6.687 1.00 0.00 C ATOM 12 C SER A 2 -22.701 2.579 7.243 1.00 0.00 C ATOM 13 O SER A 2 -22.394 1.570 6.603 1.00 0.00 O ATOM 14 CB SER A 2 -24.869 3.756 7.684 1.00 0.00 C ATOM 15 OG SER A 2 -25.915 4.533 7.121 1.00 0.00 O ATOM 0 H SER A 2 -24.378 2.053 5.397 1.00 0.00 H new ATOM 0 HA SER A 2 -23.236 4.523 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.258 2.784 7.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.493 4.245 8.583 1.00 0.00 H new ATOM 0 HG SER A 2 -26.634 4.640 7.779 1.00 0.00 H new ATOM 21 N SER A 3 -22.177 2.865 8.424 1.00 0.00 N ATOM 22 CA SER A 3 -21.230 1.971 9.063 1.00 0.00 C ATOM 23 C SER A 3 -21.958 0.805 9.727 1.00 0.00 C ATOM 24 O SER A 3 -22.296 0.859 10.910 1.00 0.00 O ATOM 25 CB SER A 3 -20.378 2.739 10.078 1.00 0.00 C ATOM 26 OG SER A 3 -21.185 3.532 10.939 1.00 0.00 O ATOM 0 H SER A 3 -22.392 3.708 8.957 1.00 0.00 H new ATOM 0 HA SER A 3 -20.566 1.561 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.793 2.035 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.669 3.378 9.551 1.00 0.00 H new ATOM 0 HG SER A 3 -21.901 2.980 11.317 1.00 0.00 H new ATOM 32 N ILE A 4 -22.228 -0.232 8.945 1.00 0.00 N ATOM 33 CA ILE A 4 -22.938 -1.400 9.442 1.00 0.00 C ATOM 34 C ILE A 4 -22.043 -2.208 10.373 1.00 0.00 C ATOM 35 O ILE A 4 -22.300 -2.293 11.574 1.00 0.00 O ATOM 36 CB ILE A 4 -23.437 -2.295 8.286 1.00 0.00 C ATOM 37 CG1 ILE A 4 -24.382 -1.506 7.373 1.00 0.00 C ATOM 38 CG2 ILE A 4 -24.131 -3.543 8.823 1.00 0.00 C ATOM 39 CD1 ILE A 4 -25.579 -0.920 8.094 1.00 0.00 C ATOM 0 H ILE A 4 -21.965 -0.287 7.961 1.00 0.00 H new ATOM 0 HA ILE A 4 -23.808 -1.046 9.995 1.00 0.00 H new ATOM 0 HB ILE A 4 -22.573 -2.614 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -23.824 -0.699 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -24.734 -2.161 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.473 -4.156 7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -23.431 -4.115 9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.986 -3.250 9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -26.201 -0.376 7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -26.161 -1.723 8.546 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -25.237 -0.238 8.873 1.00 0.00 H new ATOM 51 N SER A 5 -20.987 -2.787 9.826 1.00 0.00 N ATOM 52 CA SER A 5 -20.042 -3.538 10.634 1.00 0.00 C ATOM 53 C SER A 5 -18.641 -3.404 10.058 1.00 0.00 C ATOM 54 O SER A 5 -17.658 -3.283 10.795 1.00 0.00 O ATOM 55 CB SER A 5 -20.456 -5.011 10.712 1.00 0.00 C ATOM 56 OG SER A 5 -19.783 -5.671 11.766 1.00 0.00 O ATOM 0 H SER A 5 -20.764 -2.752 8.831 1.00 0.00 H new ATOM 0 HA SER A 5 -20.043 -3.131 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.533 -5.082 10.862 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.233 -5.506 9.767 1.00 0.00 H new ATOM 0 HG SER A 5 -20.064 -6.609 11.797 1.00 0.00 H new ATOM 62 N HIS A 6 -18.557 -3.416 8.738 1.00 0.00 N ATOM 63 CA HIS A 6 -17.292 -3.229 8.056 1.00 0.00 C ATOM 64 C HIS A 6 -17.494 -2.388 6.801 1.00 0.00 C ATOM 65 O HIS A 6 -17.624 -2.917 5.696 1.00 0.00 O ATOM 66 CB HIS A 6 -16.648 -4.577 7.705 1.00 0.00 C ATOM 67 CG HIS A 6 -15.274 -4.448 7.122 1.00 0.00 C ATOM 68 ND1 HIS A 6 -14.931 -4.943 5.884 1.00 0.00 N ATOM 69 CD2 HIS A 6 -14.155 -3.867 7.617 1.00 0.00 C ATOM 70 CE1 HIS A 6 -13.661 -4.672 5.643 1.00 0.00 C ATOM 71 NE2 HIS A 6 -13.169 -4.020 6.676 1.00 0.00 N ATOM 0 H HIS A 6 -19.355 -3.554 8.117 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.615 -2.702 8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -16.597 -5.191 8.604 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -17.287 -5.103 6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.057 -3.375 8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.117 -4.940 4.749 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.210 -3.683 6.762 1.00 0.00 H new ATOM 80 N SER A 7 -17.566 -1.083 6.985 1.00 0.00 N ATOM 81 CA SER A 7 -17.658 -0.161 5.872 1.00 0.00 C ATOM 82 C SER A 7 -16.298 0.498 5.657 1.00 0.00 C ATOM 83 O SER A 7 -15.521 0.071 4.801 1.00 0.00 O ATOM 84 CB SER A 7 -18.734 0.893 6.140 1.00 0.00 C ATOM 85 OG SER A 7 -19.984 0.287 6.435 1.00 0.00 O ATOM 0 H SER A 7 -17.562 -0.637 7.902 1.00 0.00 H new ATOM 0 HA SER A 7 -17.940 -0.705 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.428 1.525 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.837 1.541 5.269 1.00 0.00 H new ATOM 0 HG SER A 7 -20.701 0.946 6.326 1.00 0.00 H new ATOM 91 N GLY A 8 -16.006 1.513 6.471 1.00 0.00 N ATOM 92 CA GLY A 8 -14.697 2.143 6.464 1.00 0.00 C ATOM 93 C GLY A 8 -14.376 2.870 5.173 1.00 0.00 C ATOM 94 O GLY A 8 -14.755 4.028 4.991 1.00 0.00 O ATOM 0 H GLY A 8 -16.663 1.912 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.639 2.849 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.937 1.382 6.641 1.00 0.00 H new ATOM 98 N ASN A 9 -13.688 2.178 4.276 1.00 0.00 N ATOM 99 CA ASN A 9 -13.150 2.792 3.067 1.00 0.00 C ATOM 100 C ASN A 9 -14.249 3.057 2.037 1.00 0.00 C ATOM 101 O ASN A 9 -15.327 2.464 2.087 1.00 0.00 O ATOM 102 CB ASN A 9 -12.048 1.902 2.481 1.00 0.00 C ATOM 103 CG ASN A 9 -11.273 2.574 1.360 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.224 3.798 1.259 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.636 1.776 0.525 1.00 0.00 N ATOM 0 H ASN A 9 -13.487 1.182 4.363 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.720 3.758 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.356 1.620 3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.494 0.981 2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.081 2.171 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.699 0.764 0.638 1.00 0.00 H new ATOM 112 N LEU A 10 -13.963 3.960 1.109 1.00 0.00 N ATOM 113 CA LEU A 10 -14.939 4.402 0.119 1.00 0.00 C ATOM 114 C LEU A 10 -14.690 3.751 -1.236 1.00 0.00 C ATOM 115 O LEU A 10 -15.461 3.942 -2.179 1.00 0.00 O ATOM 116 CB LEU A 10 -14.846 5.913 -0.045 1.00 0.00 C ATOM 117 CG LEU A 10 -15.012 6.734 1.238 1.00 0.00 C ATOM 118 CD1 LEU A 10 -14.888 8.219 0.938 1.00 0.00 C ATOM 119 CD2 LEU A 10 -16.348 6.437 1.898 1.00 0.00 C ATOM 0 H LEU A 10 -13.050 4.407 1.020 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.929 4.112 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.878 6.153 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.607 6.230 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.218 6.451 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.008 8.788 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.906 8.423 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.661 8.512 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.445 7.031 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.157 6.689 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.402 5.378 2.149 1.00 0.00 H new ATOM 131 N TYR A 11 -13.609 2.995 -1.335 1.00 0.00 N ATOM 132 CA TYR A 11 -13.199 2.426 -2.611 1.00 0.00 C ATOM 133 C TYR A 11 -14.089 1.239 -2.983 1.00 0.00 C ATOM 134 O TYR A 11 -15.120 1.008 -2.352 1.00 0.00 O ATOM 135 CB TYR A 11 -11.726 2.013 -2.551 1.00 0.00 C ATOM 136 CG TYR A 11 -10.960 2.307 -3.824 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.601 3.608 -4.151 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.601 1.292 -4.700 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.908 3.889 -5.314 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.909 1.565 -5.865 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.565 2.865 -6.167 1.00 0.00 C ATOM 142 OH TYR A 11 -8.877 3.140 -7.330 1.00 0.00 O ATOM 0 H TYR A 11 -13.000 2.761 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.313 3.182 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.246 2.531 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.665 0.946 -2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.868 4.415 -3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.867 0.271 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.637 4.907 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.639 0.763 -6.536 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.712 2.306 -7.818 1.00 0.00 H new ATOM 152 N THR A 12 -13.685 0.490 -4.002 1.00 0.00 N ATOM 153 CA THR A 12 -14.506 -0.588 -4.538 1.00 0.00 C ATOM 154 C THR A 12 -14.644 -1.747 -3.544 1.00 0.00 C ATOM 155 O THR A 12 -15.488 -1.707 -2.649 1.00 0.00 O ATOM 156 CB THR A 12 -13.916 -1.106 -5.863 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.473 0.005 -6.657 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.941 -1.914 -6.645 1.00 0.00 C ATOM 0 H THR A 12 -12.790 0.611 -4.475 1.00 0.00 H new ATOM 0 HA THR A 12 -15.500 -0.179 -4.719 1.00 0.00 H new ATOM 0 HB THR A 12 -13.074 -1.758 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.096 -0.325 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.494 -2.266 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.261 -2.769 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.803 -1.287 -6.871 1.00 0.00 H new ATOM 166 N ALA A 13 -13.800 -2.763 -3.693 1.00 0.00 N ATOM 167 CA ALA A 13 -13.844 -3.940 -2.843 1.00 0.00 C ATOM 168 C ALA A 13 -12.677 -4.854 -3.169 1.00 0.00 C ATOM 169 O ALA A 13 -12.499 -5.252 -4.318 1.00 0.00 O ATOM 170 CB ALA A 13 -15.159 -4.691 -3.015 1.00 0.00 C ATOM 0 H ALA A 13 -13.070 -2.791 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.772 -3.616 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.165 -5.568 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.989 -4.037 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.265 -5.006 -4.053 1.00 0.00 H new ATOM 176 N GLY A 14 -11.871 -5.163 -2.165 1.00 0.00 N ATOM 177 CA GLY A 14 -10.721 -6.021 -2.373 1.00 0.00 C ATOM 178 C GLY A 14 -9.700 -5.403 -3.305 1.00 0.00 C ATOM 179 O GLY A 14 -8.909 -6.106 -3.924 1.00 0.00 O ATOM 0 H GLY A 14 -11.992 -4.835 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.251 -6.233 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.052 -6.975 -2.783 1.00 0.00 H new ATOM 183 N GLN A 15 -9.725 -4.081 -3.404 1.00 0.00 N ATOM 184 CA GLN A 15 -8.804 -3.359 -4.271 1.00 0.00 C ATOM 185 C GLN A 15 -7.471 -3.144 -3.571 1.00 0.00 C ATOM 186 O GLN A 15 -7.393 -3.200 -2.340 1.00 0.00 O ATOM 187 CB GLN A 15 -9.401 -2.007 -4.658 1.00 0.00 C ATOM 188 CG GLN A 15 -10.531 -2.090 -5.670 1.00 0.00 C ATOM 189 CD GLN A 15 -10.029 -2.168 -7.096 1.00 0.00 C ATOM 190 OE1 GLN A 15 -9.823 -1.143 -7.745 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.828 -3.375 -7.591 1.00 0.00 N ATOM 0 H GLN A 15 -10.376 -3.485 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.640 -3.953 -5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.770 -1.515 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.610 -1.377 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.143 -2.966 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.175 -1.217 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.012 -4.198 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.489 -3.484 -8.547 1.00 0.00 H new ATOM 200 N CYS A 16 -6.434 -2.884 -4.359 1.00 0.00 N ATOM 201 CA CYS A 16 -5.109 -2.592 -3.825 1.00 0.00 C ATOM 202 C CYS A 16 -5.165 -1.423 -2.849 1.00 0.00 C ATOM 203 O CYS A 16 -4.676 -1.513 -1.726 1.00 0.00 O ATOM 204 CB CYS A 16 -4.148 -2.280 -4.972 1.00 0.00 C ATOM 205 SG CYS A 16 -4.853 -1.205 -6.242 1.00 0.00 S ATOM 0 H CYS A 16 -6.487 -2.870 -5.378 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.749 -3.467 -3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.253 -1.808 -4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.833 -3.215 -5.435 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.021 -1.882 -7.339 1.00 0.00 H new ATOM 211 N THR A 17 -5.808 -0.344 -3.268 1.00 0.00 N ATOM 212 CA THR A 17 -5.902 0.853 -2.447 1.00 0.00 C ATOM 213 C THR A 17 -7.084 0.771 -1.483 1.00 0.00 C ATOM 214 O THR A 17 -7.376 1.715 -0.749 1.00 0.00 O ATOM 215 CB THR A 17 -6.036 2.107 -3.324 1.00 0.00 C ATOM 216 OG1 THR A 17 -7.095 1.929 -4.272 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.738 2.399 -4.061 1.00 0.00 C ATOM 0 H THR A 17 -6.273 -0.273 -4.173 1.00 0.00 H new ATOM 0 HA THR A 17 -4.983 0.923 -1.865 1.00 0.00 H new ATOM 0 HB THR A 17 -6.263 2.952 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.510 2.795 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.861 3.292 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.938 2.562 -3.339 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.484 1.553 -4.699 1.00 0.00 H new ATOM 225 N TRP A 18 -7.763 -0.365 -1.493 1.00 0.00 N ATOM 226 CA TRP A 18 -8.881 -0.593 -0.598 1.00 0.00 C ATOM 227 C TRP A 18 -8.397 -1.311 0.660 1.00 0.00 C ATOM 228 O TRP A 18 -8.627 -0.849 1.784 1.00 0.00 O ATOM 229 CB TRP A 18 -9.956 -1.413 -1.315 1.00 0.00 C ATOM 230 CG TRP A 18 -11.227 -1.576 -0.543 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.293 -0.724 -0.527 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.574 -2.669 0.316 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.277 -1.224 0.283 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.862 -2.413 0.815 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.921 -3.839 0.712 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.512 -3.280 1.688 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.567 -4.700 1.578 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.850 -4.417 2.057 1.00 0.00 C ATOM 0 H TRP A 18 -7.556 -1.146 -2.115 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.315 0.362 -0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.183 -0.937 -2.269 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.553 -2.400 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.352 0.206 -1.072 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.178 -0.780 0.461 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.930 -4.066 0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.502 -3.062 2.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.072 -5.608 1.891 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.327 -5.111 2.732 1.00 0.00 H new ATOM 249 N TYR A 19 -7.698 -2.424 0.457 1.00 0.00 N ATOM 250 CA TYR A 19 -7.173 -3.220 1.561 1.00 0.00 C ATOM 251 C TYR A 19 -6.178 -2.405 2.378 1.00 0.00 C ATOM 252 O TYR A 19 -6.148 -2.489 3.605 1.00 0.00 O ATOM 253 CB TYR A 19 -6.508 -4.483 1.013 1.00 0.00 C ATOM 254 CG TYR A 19 -5.885 -5.376 2.065 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.673 -6.087 2.963 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.507 -5.516 2.149 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.100 -6.909 3.915 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.929 -6.336 3.096 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.726 -7.031 3.976 1.00 0.00 C ATOM 260 OH TYR A 19 -4.150 -7.848 4.920 1.00 0.00 O ATOM 0 H TYR A 19 -7.481 -2.796 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.996 -3.508 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.251 -5.058 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.737 -4.191 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.748 -5.996 2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.876 -4.973 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.724 -7.453 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.854 -6.432 3.146 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.442 -7.358 5.388 1.00 0.00 H new ATOM 270 N VAL A 20 -5.373 -1.612 1.684 1.00 0.00 N ATOM 271 CA VAL A 20 -4.402 -0.744 2.335 1.00 0.00 C ATOM 272 C VAL A 20 -5.082 0.211 3.315 1.00 0.00 C ATOM 273 O VAL A 20 -4.699 0.286 4.480 1.00 0.00 O ATOM 274 CB VAL A 20 -3.595 0.070 1.301 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.769 1.148 1.985 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.694 -0.849 0.490 1.00 0.00 C ATOM 0 H VAL A 20 -5.374 -1.552 0.666 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.718 -1.389 2.887 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.300 0.556 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.209 1.708 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.430 1.825 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.074 0.684 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.132 -0.260 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.001 -1.361 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.303 -1.585 -0.035 1.00 0.00 H new ATOM 286 N TYR A 21 -6.111 0.914 2.843 1.00 0.00 N ATOM 287 CA TYR A 21 -6.791 1.910 3.663 1.00 0.00 C ATOM 288 C TYR A 21 -7.473 1.250 4.857 1.00 0.00 C ATOM 289 O TYR A 21 -7.601 1.856 5.923 1.00 0.00 O ATOM 290 CB TYR A 21 -7.819 2.684 2.834 1.00 0.00 C ATOM 291 CG TYR A 21 -8.350 3.917 3.529 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.555 5.038 3.687 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.643 3.958 4.024 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.032 6.170 4.318 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.133 5.084 4.654 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.322 6.190 4.800 1.00 0.00 C ATOM 297 OH TYR A 21 -9.807 7.321 5.423 1.00 0.00 O ATOM 0 H TYR A 21 -6.489 0.811 1.901 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.042 2.611 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.364 2.978 1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.653 2.024 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.543 5.028 3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.280 3.093 3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.396 7.036 4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.145 5.099 5.030 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.464 7.362 6.340 1.00 0.00 H new ATOM 307 N ASP A 22 -7.911 0.012 4.671 1.00 0.00 N ATOM 308 CA ASP A 22 -8.534 -0.744 5.752 1.00 0.00 C ATOM 309 C ASP A 22 -7.506 -1.099 6.823 1.00 0.00 C ATOM 310 O ASP A 22 -7.735 -0.885 8.015 1.00 0.00 O ATOM 311 CB ASP A 22 -9.181 -2.019 5.205 1.00 0.00 C ATOM 312 CG ASP A 22 -9.935 -2.787 6.270 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.094 -2.420 6.563 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.384 -3.764 6.813 1.00 0.00 O ATOM 0 H ASP A 22 -7.847 -0.490 3.785 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.306 -0.121 6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.864 -1.758 4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.410 -2.659 4.777 1.00 0.00 H new ATOM 319 N LYS A 23 -6.361 -1.614 6.384 1.00 0.00 N ATOM 320 CA LYS A 23 -5.313 -2.067 7.297 1.00 0.00 C ATOM 321 C LYS A 23 -4.674 -0.911 8.064 1.00 0.00 C ATOM 322 O LYS A 23 -4.170 -1.103 9.169 1.00 0.00 O ATOM 323 CB LYS A 23 -4.236 -2.838 6.529 1.00 0.00 C ATOM 324 CG LYS A 23 -4.712 -4.175 5.990 1.00 0.00 C ATOM 325 CD LYS A 23 -5.011 -5.164 7.110 1.00 0.00 C ATOM 326 CE LYS A 23 -3.746 -5.581 7.847 1.00 0.00 C ATOM 327 NZ LYS A 23 -4.022 -6.578 8.914 1.00 0.00 N ATOM 0 H LYS A 23 -6.134 -1.729 5.396 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.786 -2.725 8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.885 -2.225 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.382 -3.004 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.609 -4.026 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.951 -4.592 5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.711 -4.715 7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.498 -6.047 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.034 -6.000 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.277 -4.701 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.133 -6.833 9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.681 -6.170 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.446 -7.429 8.493 1.00 0.00 H new ATOM 341 N VAL A 24 -4.691 0.285 7.486 1.00 0.00 N ATOM 342 CA VAL A 24 -4.102 1.447 8.148 1.00 0.00 C ATOM 343 C VAL A 24 -5.101 2.118 9.089 1.00 0.00 C ATOM 344 O VAL A 24 -4.833 3.184 9.642 1.00 0.00 O ATOM 345 CB VAL A 24 -3.566 2.487 7.141 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.479 1.876 6.272 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.689 3.047 6.286 1.00 0.00 C ATOM 0 H VAL A 24 -5.101 0.476 6.572 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.260 1.070 8.729 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.132 3.313 7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.113 2.623 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.657 1.537 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.887 1.028 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.284 3.777 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.163 2.237 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.428 3.530 6.926 1.00 0.00 H new ATOM 357 N GLY A 25 -6.267 1.502 9.247 1.00 0.00 N ATOM 358 CA GLY A 25 -7.236 1.976 10.220 1.00 0.00 C ATOM 359 C GLY A 25 -8.089 3.117 9.703 1.00 0.00 C ATOM 360 O GLY A 25 -9.044 3.532 10.360 1.00 0.00 O ATOM 0 H GLY A 25 -6.560 0.681 8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.884 1.149 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.711 2.301 11.118 1.00 0.00 H new ATOM 364 N GLY A 26 -7.752 3.626 8.530 1.00 0.00 N ATOM 365 CA GLY A 26 -8.523 4.704 7.945 1.00 0.00 C ATOM 366 C GLY A 26 -7.994 6.077 8.313 1.00 0.00 C ATOM 367 O GLY A 26 -8.651 7.085 8.055 1.00 0.00 O ATOM 0 H GLY A 26 -6.958 3.313 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.520 4.598 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.560 4.621 8.271 1.00 0.00 H new ATOM 371 N GLU A 27 -6.819 6.125 8.927 1.00 0.00 N ATOM 372 CA GLU A 27 -6.190 7.401 9.262 1.00 0.00 C ATOM 373 C GLU A 27 -5.556 8.016 8.022 1.00 0.00 C ATOM 374 O GLU A 27 -5.725 9.202 7.736 1.00 0.00 O ATOM 375 CB GLU A 27 -5.122 7.214 10.347 1.00 0.00 C ATOM 376 CG GLU A 27 -4.399 8.496 10.732 1.00 0.00 C ATOM 377 CD GLU A 27 -5.335 9.556 11.273 1.00 0.00 C ATOM 378 OE1 GLU A 27 -5.726 9.461 12.452 1.00 0.00 O ATOM 379 OE2 GLU A 27 -5.691 10.487 10.522 1.00 0.00 O ATOM 0 H GLU A 27 -6.283 5.302 9.203 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.962 8.070 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.592 6.793 11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.389 6.486 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.641 8.269 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.877 8.889 9.860 1.00 0.00 H new ATOM 386 N ILE A 28 -4.843 7.188 7.285 1.00 0.00 N ATOM 387 CA ILE A 28 -4.095 7.639 6.130 1.00 0.00 C ATOM 388 C ILE A 28 -4.708 7.108 4.843 1.00 0.00 C ATOM 389 O ILE A 28 -5.005 5.918 4.739 1.00 0.00 O ATOM 390 CB ILE A 28 -2.598 7.218 6.241 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.016 6.794 4.878 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.422 6.108 7.276 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.089 5.301 4.595 1.00 0.00 C ATOM 0 H ILE A 28 -4.766 6.188 7.469 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.143 8.728 6.103 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.039 8.093 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.548 7.326 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.974 7.109 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.370 5.830 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.760 6.462 8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.010 5.239 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.657 5.095 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.532 4.758 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.130 4.979 4.608 1.00 0.00 H new ATOM 405 N GLY A 29 -4.944 7.997 3.890 1.00 0.00 N ATOM 406 CA GLY A 29 -5.267 7.557 2.556 1.00 0.00 C ATOM 407 C GLY A 29 -6.549 8.128 1.998 1.00 0.00 C ATOM 408 O GLY A 29 -6.910 9.261 2.293 1.00 0.00 O ATOM 0 H GLY A 29 -4.917 9.009 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.446 7.824 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.338 6.469 2.554 1.00 0.00 H new ATOM 412 N SER A 30 -7.210 7.310 1.169 1.00 0.00 N ATOM 413 CA SER A 30 -8.462 7.639 0.462 1.00 0.00 C ATOM 414 C SER A 30 -8.276 8.754 -0.576 1.00 0.00 C ATOM 415 O SER A 30 -8.617 8.577 -1.743 1.00 0.00 O ATOM 416 CB SER A 30 -9.620 7.956 1.434 1.00 0.00 C ATOM 417 OG SER A 30 -9.434 9.176 2.133 1.00 0.00 O ATOM 0 H SER A 30 -6.879 6.367 0.963 1.00 0.00 H new ATOM 0 HA SER A 30 -8.742 6.740 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.555 8.002 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.718 7.142 2.153 1.00 0.00 H new ATOM 0 HG SER A 30 -8.570 9.160 2.595 1.00 0.00 H new ATOM 423 N THR A 31 -7.702 9.874 -0.166 1.00 0.00 N ATOM 424 CA THR A 31 -7.517 11.014 -1.052 1.00 0.00 C ATOM 425 C THR A 31 -6.306 10.817 -1.969 1.00 0.00 C ATOM 426 O THR A 31 -6.007 11.664 -2.813 1.00 0.00 O ATOM 427 CB THR A 31 -7.347 12.316 -0.232 1.00 0.00 C ATOM 428 OG1 THR A 31 -7.346 13.460 -1.096 1.00 0.00 O ATOM 429 CG2 THR A 31 -6.057 12.286 0.581 1.00 0.00 C ATOM 0 H THR A 31 -7.354 10.019 0.782 1.00 0.00 H new ATOM 0 HA THR A 31 -8.408 11.096 -1.674 1.00 0.00 H new ATOM 0 HB THR A 31 -8.191 12.388 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.902 13.233 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.962 13.212 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.080 11.441 1.269 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.205 12.183 -0.092 1.00 0.00 H new ATOM 437 N TRP A 32 -5.630 9.683 -1.820 1.00 0.00 N ATOM 438 CA TRP A 32 -4.407 9.415 -2.571 1.00 0.00 C ATOM 439 C TRP A 32 -4.701 9.015 -4.027 1.00 0.00 C ATOM 440 O TRP A 32 -3.789 8.929 -4.850 1.00 0.00 O ATOM 441 CB TRP A 32 -3.574 8.336 -1.867 1.00 0.00 C ATOM 442 CG TRP A 32 -4.319 7.060 -1.671 1.00 0.00 C ATOM 443 CD1 TRP A 32 -5.241 6.545 -2.512 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.204 6.137 -0.586 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.731 5.379 -2.028 1.00 0.00 N ATOM 446 CE2 TRP A 32 -5.110 5.092 -0.842 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.430 6.090 0.575 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.265 4.012 0.017 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.585 5.014 1.432 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.498 3.989 1.147 1.00 0.00 C ATOM 0 H TRP A 32 -5.908 8.934 -1.186 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.831 10.340 -2.603 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.675 8.139 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.247 8.712 -0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.546 7.000 -3.443 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.447 4.807 -2.475 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.725 6.877 0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.966 3.220 -0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.993 4.963 2.334 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.597 3.163 1.836 1.00 0.00 H new ATOM 461 N GLY A 33 -5.971 8.770 -4.340 1.00 0.00 N ATOM 462 CA GLY A 33 -6.323 8.317 -5.672 1.00 0.00 C ATOM 463 C GLY A 33 -6.157 6.821 -5.827 1.00 0.00 C ATOM 464 O GLY A 33 -6.735 6.037 -5.071 1.00 0.00 O ATOM 0 H GLY A 33 -6.757 8.877 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.356 8.591 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.699 8.828 -6.405 1.00 0.00 H new ATOM 468 N ASN A 34 -5.365 6.422 -6.811 1.00 0.00 N ATOM 469 CA ASN A 34 -4.984 5.028 -6.952 1.00 0.00 C ATOM 470 C ASN A 34 -3.485 4.896 -6.740 1.00 0.00 C ATOM 471 O ASN A 34 -2.808 5.889 -6.471 1.00 0.00 O ATOM 472 CB ASN A 34 -5.386 4.446 -8.316 1.00 0.00 C ATOM 473 CG ASN A 34 -4.476 4.875 -9.454 1.00 0.00 C ATOM 474 OD1 ASN A 34 -3.474 4.219 -9.740 1.00 0.00 O ATOM 475 ND2 ASN A 34 -4.826 5.957 -10.122 1.00 0.00 N ATOM 0 H ASN A 34 -4.976 7.043 -7.521 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.521 4.454 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.385 3.358 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.407 4.751 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.259 6.278 -10.907 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.664 6.473 -9.854 1.00 0.00 H new ATOM 482 N ALA A 35 -2.971 3.688 -6.890 1.00 0.00 N ATOM 483 CA ALA A 35 -1.597 3.388 -6.526 1.00 0.00 C ATOM 484 C ALA A 35 -0.576 4.246 -7.274 1.00 0.00 C ATOM 485 O ALA A 35 0.428 4.636 -6.703 1.00 0.00 O ATOM 486 CB ALA A 35 -1.309 1.914 -6.739 1.00 0.00 C ATOM 0 H ALA A 35 -3.489 2.893 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.491 3.633 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.276 1.701 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.980 1.319 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.463 1.661 -7.788 1.00 0.00 H new ATOM 492 N ASN A 36 -0.826 4.568 -8.535 1.00 0.00 N ATOM 493 CA ASN A 36 0.182 5.276 -9.329 1.00 0.00 C ATOM 494 C ASN A 36 0.139 6.783 -9.078 1.00 0.00 C ATOM 495 O ASN A 36 1.043 7.516 -9.482 1.00 0.00 O ATOM 496 CB ASN A 36 0.039 4.957 -10.829 1.00 0.00 C ATOM 497 CG ASN A 36 -1.019 5.777 -11.556 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.989 6.251 -10.968 1.00 0.00 O ATOM 499 ND2 ASN A 36 -0.836 5.937 -12.860 1.00 0.00 N ATOM 0 H ASN A 36 -1.695 4.359 -9.026 1.00 0.00 H new ATOM 0 HA ASN A 36 1.159 4.919 -9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.001 5.119 -11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.200 3.899 -10.940 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.512 6.468 -13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.019 5.529 -13.314 1.00 0.00 H new ATOM 506 N ASN A 37 -0.895 7.237 -8.386 1.00 0.00 N ATOM 507 CA ASN A 37 -1.042 8.653 -8.069 1.00 0.00 C ATOM 508 C ASN A 37 -0.725 8.878 -6.592 1.00 0.00 C ATOM 509 O ASN A 37 -0.861 9.982 -6.065 1.00 0.00 O ATOM 510 CB ASN A 37 -2.471 9.115 -8.394 1.00 0.00 C ATOM 511 CG ASN A 37 -2.618 10.627 -8.458 1.00 0.00 C ATOM 512 OD1 ASN A 37 -2.394 11.237 -9.504 1.00 0.00 O ATOM 513 ND2 ASN A 37 -3.023 11.240 -7.356 1.00 0.00 N ATOM 0 H ASN A 37 -1.647 6.646 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.347 9.238 -8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.774 8.687 -9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.152 8.723 -7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.159 12.251 -7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.199 10.701 -6.508 1.00 0.00 H new ATOM 520 N TRP A 38 -0.262 7.810 -5.946 1.00 0.00 N ATOM 521 CA TRP A 38 -0.051 7.790 -4.503 1.00 0.00 C ATOM 522 C TRP A 38 0.824 8.923 -3.995 1.00 0.00 C ATOM 523 O TRP A 38 0.331 9.822 -3.329 1.00 0.00 O ATOM 524 CB TRP A 38 0.555 6.467 -4.074 1.00 0.00 C ATOM 525 CG TRP A 38 -0.397 5.637 -3.298 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.687 5.352 -3.625 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.137 4.988 -2.057 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.250 4.569 -2.660 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.320 4.338 -1.675 1.00 0.00 C ATOM 530 CE3 TRP A 38 0.984 4.896 -1.232 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.411 3.608 -0.495 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.890 4.171 -0.066 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.302 3.544 0.294 1.00 0.00 C ATOM 0 H TRP A 38 -0.023 6.934 -6.410 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.038 7.924 -4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.879 5.915 -4.956 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.444 6.655 -3.472 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.191 5.695 -4.517 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.206 4.213 -2.668 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.908 5.384 -1.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.327 3.110 -0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.752 4.087 0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.348 2.993 1.222 1.00 0.00 H new ATOM 544 N ALA A 39 2.116 8.872 -4.309 1.00 0.00 N ATOM 545 CA ALA A 39 3.080 9.814 -3.740 1.00 0.00 C ATOM 546 C ALA A 39 2.636 11.257 -3.953 1.00 0.00 C ATOM 547 O ALA A 39 2.755 12.086 -3.056 1.00 0.00 O ATOM 548 CB ALA A 39 4.466 9.579 -4.325 1.00 0.00 C ATOM 0 H ALA A 39 2.520 8.191 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 39 3.127 9.639 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.170 10.289 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.789 8.563 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.433 9.717 -5.406 1.00 0.00 H new ATOM 554 N ALA A 40 2.085 11.536 -5.126 1.00 0.00 N ATOM 555 CA ALA A 40 1.592 12.869 -5.445 1.00 0.00 C ATOM 556 C ALA A 40 0.472 13.286 -4.492 1.00 0.00 C ATOM 557 O ALA A 40 0.555 14.328 -3.835 1.00 0.00 O ATOM 558 CB ALA A 40 1.108 12.908 -6.885 1.00 0.00 C ATOM 0 H ALA A 40 1.968 10.854 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 40 2.411 13.578 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.740 13.907 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.933 12.660 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.303 12.185 -7.018 1.00 0.00 H new ATOM 564 N ALA A 41 -0.560 12.453 -4.402 1.00 0.00 N ATOM 565 CA ALA A 41 -1.724 12.751 -3.571 1.00 0.00 C ATOM 566 C ALA A 41 -1.380 12.667 -2.084 1.00 0.00 C ATOM 567 O ALA A 41 -1.904 13.427 -1.268 1.00 0.00 O ATOM 568 CB ALA A 41 -2.859 11.794 -3.911 1.00 0.00 C ATOM 0 H ALA A 41 -0.615 11.562 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.042 13.772 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.725 12.020 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.128 11.907 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.538 10.769 -3.727 1.00 0.00 H new ATOM 574 N ALA A 42 -0.493 11.745 -1.749 1.00 0.00 N ATOM 575 CA ALA A 42 -0.057 11.531 -0.377 1.00 0.00 C ATOM 576 C ALA A 42 0.715 12.733 0.154 1.00 0.00 C ATOM 577 O ALA A 42 0.419 13.245 1.233 1.00 0.00 O ATOM 578 CB ALA A 42 0.810 10.294 -0.314 1.00 0.00 C ATOM 0 H ALA A 42 -0.052 11.120 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.940 11.398 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.138 10.131 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.237 9.431 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.681 10.427 -0.956 1.00 0.00 H new ATOM 584 N GLN A 43 1.712 13.177 -0.604 1.00 0.00 N ATOM 585 CA GLN A 43 2.518 14.325 -0.206 1.00 0.00 C ATOM 586 C GLN A 43 1.667 15.593 -0.206 1.00 0.00 C ATOM 587 O GLN A 43 1.901 16.512 0.578 1.00 0.00 O ATOM 588 CB GLN A 43 3.726 14.481 -1.134 1.00 0.00 C ATOM 589 CG GLN A 43 4.711 13.325 -1.044 1.00 0.00 C ATOM 590 CD GLN A 43 5.855 13.446 -2.035 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.776 12.952 -3.164 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.925 14.109 -1.628 1.00 0.00 N ATOM 0 H GLN A 43 1.981 12.760 -1.495 1.00 0.00 H new ATOM 0 HA GLN A 43 2.888 14.158 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.376 14.571 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.244 15.409 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.116 13.277 -0.033 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.182 12.389 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.954 14.503 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.721 14.226 -2.255 1.00 0.00 H new ATOM 601 N GLY A 44 0.660 15.621 -1.074 1.00 0.00 N ATOM 602 CA GLY A 44 -0.286 16.720 -1.080 1.00 0.00 C ATOM 603 C GLY A 44 -1.167 16.706 0.156 1.00 0.00 C ATOM 604 O GLY A 44 -1.637 17.749 0.608 1.00 0.00 O ATOM 0 H GLY A 44 0.483 14.900 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.254 17.665 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.909 16.660 -1.972 1.00 0.00 H new ATOM 608 N ALA A 45 -1.376 15.513 0.707 1.00 0.00 N ATOM 609 CA ALA A 45 -2.166 15.351 1.920 1.00 0.00 C ATOM 610 C ALA A 45 -1.310 15.589 3.159 1.00 0.00 C ATOM 611 O ALA A 45 -1.828 15.745 4.263 1.00 0.00 O ATOM 612 CB ALA A 45 -2.789 13.964 1.968 1.00 0.00 C ATOM 0 H ALA A 45 -1.006 14.641 0.329 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.965 16.092 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.376 13.860 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.437 13.826 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.001 13.211 1.955 1.00 0.00 H new ATOM 618 N GLY A 46 0.001 15.599 2.969 1.00 0.00 N ATOM 619 CA GLY A 46 0.904 15.898 4.061 1.00 0.00 C ATOM 620 C GLY A 46 1.595 14.672 4.623 1.00 0.00 C ATOM 621 O GLY A 46 2.003 14.670 5.785 1.00 0.00 O ATOM 0 H GLY A 46 0.456 15.405 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.658 16.605 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.347 16.390 4.859 1.00 0.00 H new ATOM 625 N PHE A 47 1.725 13.628 3.816 1.00 0.00 N ATOM 626 CA PHE A 47 2.462 12.442 4.240 1.00 0.00 C ATOM 627 C PHE A 47 3.941 12.626 3.925 1.00 0.00 C ATOM 628 O PHE A 47 4.298 13.370 3.009 1.00 0.00 O ATOM 629 CB PHE A 47 1.963 11.172 3.539 1.00 0.00 C ATOM 630 CG PHE A 47 0.490 10.874 3.684 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.321 11.596 4.547 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.083 9.861 2.933 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.671 11.313 4.649 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.427 9.568 3.032 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.224 10.296 3.890 1.00 0.00 C ATOM 0 H PHE A 47 1.336 13.576 2.875 1.00 0.00 H new ATOM 0 HA PHE A 47 2.304 12.323 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.195 11.252 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.526 10.322 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.106 12.387 5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.535 9.289 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.294 11.885 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.853 8.772 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.278 10.073 3.970 1.00 0.00 H new ATOM 645 N THR A 48 4.793 11.956 4.676 1.00 0.00 N ATOM 646 CA THR A 48 6.225 12.014 4.442 1.00 0.00 C ATOM 647 C THR A 48 6.687 10.738 3.743 1.00 0.00 C ATOM 648 O THR A 48 6.236 9.644 4.090 1.00 0.00 O ATOM 649 CB THR A 48 6.989 12.173 5.766 1.00 0.00 C ATOM 650 OG1 THR A 48 6.285 13.080 6.630 1.00 0.00 O ATOM 651 CG2 THR A 48 8.394 12.699 5.519 1.00 0.00 C ATOM 0 H THR A 48 4.518 11.362 5.458 1.00 0.00 H new ATOM 0 HA THR A 48 6.433 12.878 3.811 1.00 0.00 H new ATOM 0 HB THR A 48 7.060 11.194 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.672 12.575 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.916 12.804 6.470 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.937 12.001 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.338 13.670 5.027 1.00 0.00 H new ATOM 659 N VAL A 49 7.564 10.859 2.752 1.00 0.00 N ATOM 660 CA VAL A 49 8.006 9.687 2.021 1.00 0.00 C ATOM 661 C VAL A 49 9.533 9.597 1.940 1.00 0.00 C ATOM 662 O VAL A 49 10.239 10.607 1.880 1.00 0.00 O ATOM 663 CB VAL A 49 7.403 9.625 0.587 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.994 10.204 0.551 1.00 0.00 C ATOM 665 CG2 VAL A 49 8.289 10.307 -0.445 1.00 0.00 C ATOM 0 H VAL A 49 7.974 11.741 2.444 1.00 0.00 H new ATOM 0 HA VAL A 49 7.638 8.831 2.588 1.00 0.00 H new ATOM 0 HB VAL A 49 7.348 8.570 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.602 10.145 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.350 9.636 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.021 11.246 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.824 10.236 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.416 11.356 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.263 9.818 -0.468 1.00 0.00 H new ATOM 675 N ASN A 50 10.020 8.366 2.002 1.00 0.00 N ATOM 676 CA ASN A 50 11.384 8.029 1.665 1.00 0.00 C ATOM 677 C ASN A 50 11.341 6.597 1.163 1.00 0.00 C ATOM 678 O ASN A 50 10.318 6.179 0.618 1.00 0.00 O ATOM 679 CB ASN A 50 12.351 8.202 2.855 1.00 0.00 C ATOM 680 CG ASN A 50 12.045 7.314 4.047 1.00 0.00 C ATOM 681 OD1 ASN A 50 12.518 6.180 4.135 1.00 0.00 O ATOM 682 ND2 ASN A 50 11.299 7.842 4.995 1.00 0.00 N ATOM 0 H ASN A 50 9.463 7.563 2.294 1.00 0.00 H new ATOM 0 HA ASN A 50 11.775 8.705 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.366 7.996 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.328 9.243 3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.095 7.308 5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.926 8.785 4.885 1.00 0.00 H new ATOM 689 N HIS A 51 12.396 5.833 1.335 1.00 0.00 N ATOM 690 CA HIS A 51 12.377 4.460 0.854 1.00 0.00 C ATOM 691 C HIS A 51 12.759 3.476 1.956 1.00 0.00 C ATOM 692 O HIS A 51 13.863 2.929 1.959 1.00 0.00 O ATOM 693 CB HIS A 51 13.323 4.257 -0.345 1.00 0.00 C ATOM 694 CG HIS A 51 13.192 5.265 -1.448 1.00 0.00 C ATOM 695 ND1 HIS A 51 14.283 5.865 -2.041 1.00 0.00 N ATOM 696 CD2 HIS A 51 12.105 5.763 -2.081 1.00 0.00 C ATOM 697 CE1 HIS A 51 13.872 6.687 -2.987 1.00 0.00 C ATOM 698 NE2 HIS A 51 12.555 6.644 -3.034 1.00 0.00 N ATOM 0 H HIS A 51 13.260 6.124 1.792 1.00 0.00 H new ATOM 0 HA HIS A 51 11.354 4.265 0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 51 14.351 4.273 0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.147 3.265 -0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.074 5.514 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.507 7.293 -3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.966 7.178 -3.674 1.00 0.00 H new ATOM 707 N THR A 52 11.853 3.273 2.900 1.00 0.00 N ATOM 708 CA THR A 52 12.050 2.278 3.949 1.00 0.00 C ATOM 709 C THR A 52 10.717 1.643 4.362 1.00 0.00 C ATOM 710 O THR A 52 10.034 2.159 5.245 1.00 0.00 O ATOM 711 CB THR A 52 12.702 2.897 5.208 1.00 0.00 C ATOM 712 OG1 THR A 52 13.741 3.816 4.834 1.00 0.00 O ATOM 713 CG2 THR A 52 13.285 1.810 6.102 1.00 0.00 C ATOM 0 H THR A 52 10.972 3.783 2.963 1.00 0.00 H new ATOM 0 HA THR A 52 12.713 1.518 3.535 1.00 0.00 H new ATOM 0 HB THR A 52 11.929 3.433 5.759 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.346 4.688 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.739 2.267 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.491 1.131 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.043 1.253 5.551 1.00 0.00 H new ATOM 721 N PRO A 53 10.301 0.544 3.709 1.00 0.00 N ATOM 722 CA PRO A 53 9.101 -0.192 4.120 1.00 0.00 C ATOM 723 C PRO A 53 9.266 -0.853 5.490 1.00 0.00 C ATOM 724 O PRO A 53 10.364 -1.282 5.857 1.00 0.00 O ATOM 725 CB PRO A 53 8.942 -1.257 3.030 1.00 0.00 C ATOM 726 CG PRO A 53 10.307 -1.417 2.458 1.00 0.00 C ATOM 727 CD PRO A 53 10.926 -0.053 2.514 1.00 0.00 C ATOM 0 HA PRO A 53 8.237 0.465 4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.573 -2.196 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.228 -0.942 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.891 -2.137 3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.263 -1.786 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.011 -0.105 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.712 0.525 1.615 1.00 0.00 H new ATOM 735 N SER A 54 8.167 -0.937 6.229 1.00 0.00 N ATOM 736 CA SER A 54 8.153 -1.536 7.556 1.00 0.00 C ATOM 737 C SER A 54 6.704 -1.691 8.002 1.00 0.00 C ATOM 738 O SER A 54 5.802 -1.169 7.342 1.00 0.00 O ATOM 739 CB SER A 54 8.937 -0.679 8.559 1.00 0.00 C ATOM 740 OG SER A 54 9.064 -1.346 9.807 1.00 0.00 O ATOM 0 H SER A 54 7.258 -0.590 5.923 1.00 0.00 H new ATOM 0 HA SER A 54 8.637 -2.512 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.926 -0.457 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.430 0.275 8.702 1.00 0.00 H new ATOM 0 HG SER A 54 9.568 -0.782 10.430 1.00 0.00 H new ATOM 746 N LYS A 55 6.482 -2.398 9.102 1.00 0.00 N ATOM 747 CA LYS A 55 5.128 -2.672 9.573 1.00 0.00 C ATOM 748 C LYS A 55 4.351 -1.376 9.796 1.00 0.00 C ATOM 749 O LYS A 55 4.747 -0.537 10.607 1.00 0.00 O ATOM 750 CB LYS A 55 5.153 -3.481 10.873 1.00 0.00 C ATOM 751 CG LYS A 55 3.784 -3.608 11.522 1.00 0.00 C ATOM 752 CD LYS A 55 3.865 -4.258 12.891 1.00 0.00 C ATOM 753 CE LYS A 55 2.528 -4.184 13.611 1.00 0.00 C ATOM 754 NZ LYS A 55 2.608 -4.699 15.003 1.00 0.00 N ATOM 0 H LYS A 55 7.220 -2.792 9.685 1.00 0.00 H new ATOM 0 HA LYS A 55 4.628 -3.256 8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.545 -4.477 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.839 -3.008 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.333 -2.620 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.130 -4.197 10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.168 -5.300 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.631 -3.763 13.488 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.184 -3.150 13.628 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.786 -4.758 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.673 -4.628 15.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.911 -5.694 14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.296 -4.136 15.543 1.00 0.00 H new ATOM 768 N GLY A 56 3.254 -1.219 9.065 1.00 0.00 N ATOM 769 CA GLY A 56 2.428 -0.037 9.208 1.00 0.00 C ATOM 770 C GLY A 56 2.519 0.866 7.998 1.00 0.00 C ATOM 771 O GLY A 56 1.681 1.742 7.800 1.00 0.00 O ATOM 0 H GLY A 56 2.922 -1.892 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.391 -0.335 9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.735 0.515 10.096 1.00 0.00 H new ATOM 775 N ALA A 57 3.539 0.643 7.183 1.00 0.00 N ATOM 776 CA ALA A 57 3.748 1.437 5.986 1.00 0.00 C ATOM 777 C ALA A 57 3.112 0.765 4.783 1.00 0.00 C ATOM 778 O ALA A 57 2.514 -0.302 4.904 1.00 0.00 O ATOM 779 CB ALA A 57 5.232 1.638 5.744 1.00 0.00 C ATOM 0 H ALA A 57 4.237 -0.086 7.332 1.00 0.00 H new ATOM 0 HA ALA A 57 3.277 2.409 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.376 2.235 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.673 2.155 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.715 0.669 5.618 1.00 0.00 H new ATOM 785 N ILE A 58 3.240 1.388 3.621 1.00 0.00 N ATOM 786 CA ILE A 58 2.719 0.818 2.390 1.00 0.00 C ATOM 787 C ILE A 58 3.716 1.034 1.259 1.00 0.00 C ATOM 788 O ILE A 58 4.350 2.083 1.179 1.00 0.00 O ATOM 789 CB ILE A 58 1.358 1.427 1.972 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.336 1.398 3.117 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.806 0.685 0.763 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.428 2.580 4.062 1.00 0.00 C ATOM 0 H ILE A 58 3.701 2.290 3.506 1.00 0.00 H new ATOM 0 HA ILE A 58 2.565 -0.244 2.579 1.00 0.00 H new ATOM 0 HB ILE A 58 1.532 2.472 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.667 1.364 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.472 0.479 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.151 1.119 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.507 0.770 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.666 -0.366 1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.328 2.483 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.418 2.605 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.260 3.503 3.507 1.00 0.00 H new ATOM 804 N LEU A 59 3.852 0.034 0.402 1.00 0.00 N ATOM 805 CA LEU A 59 4.775 0.089 -0.723 1.00 0.00 C ATOM 806 C LEU A 59 4.256 1.039 -1.801 1.00 0.00 C ATOM 807 O LEU A 59 3.061 1.324 -1.858 1.00 0.00 O ATOM 808 CB LEU A 59 4.935 -1.309 -1.319 1.00 0.00 C ATOM 809 CG LEU A 59 6.226 -1.542 -2.093 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.389 -1.732 -1.133 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.083 -2.739 -3.019 1.00 0.00 C ATOM 0 H LEU A 59 3.327 -0.838 0.466 1.00 0.00 H new ATOM 0 HA LEU A 59 5.737 0.455 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.878 -2.039 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.093 -1.502 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 59 6.430 -0.664 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.305 -1.898 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.500 -0.841 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.197 -2.594 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.015 -2.891 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.857 -3.629 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.274 -2.557 -3.727 1.00 0.00 H new ATOM 823 N GLN A 60 5.157 1.525 -2.648 1.00 0.00 N ATOM 824 CA GLN A 60 4.771 2.353 -3.781 1.00 0.00 C ATOM 825 C GLN A 60 5.817 2.314 -4.890 1.00 0.00 C ATOM 826 O GLN A 60 7.019 2.432 -4.645 1.00 0.00 O ATOM 827 CB GLN A 60 4.520 3.805 -3.349 1.00 0.00 C ATOM 828 CG GLN A 60 4.441 4.792 -4.515 1.00 0.00 C ATOM 829 CD GLN A 60 3.298 4.506 -5.479 1.00 0.00 C ATOM 830 OE1 GLN A 60 2.867 3.366 -5.646 1.00 0.00 O ATOM 831 NE2 GLN A 60 2.824 5.532 -6.157 1.00 0.00 N ATOM 0 H GLN A 60 6.160 1.359 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 60 3.842 1.939 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.589 3.850 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.318 4.117 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.327 5.801 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.382 4.769 -5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.201 6.466 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.081 5.392 -6.841 1.00 0.00 H new ATOM 840 N SER A 61 5.331 2.148 -6.108 1.00 0.00 N ATOM 841 CA SER A 61 6.146 2.257 -7.297 1.00 0.00 C ATOM 842 C SER A 61 5.257 2.615 -8.476 1.00 0.00 C ATOM 843 O SER A 61 4.224 1.984 -8.697 1.00 0.00 O ATOM 844 CB SER A 61 6.893 0.951 -7.578 1.00 0.00 C ATOM 845 OG SER A 61 7.773 1.090 -8.682 1.00 0.00 O ATOM 0 H SER A 61 4.352 1.932 -6.297 1.00 0.00 H new ATOM 0 HA SER A 61 6.891 3.038 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.458 0.655 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.176 0.155 -7.779 1.00 0.00 H new ATOM 0 HG SER A 61 8.238 0.242 -8.838 1.00 0.00 H new ATOM 851 N SER A 62 5.648 3.634 -9.220 1.00 0.00 N ATOM 852 CA SER A 62 4.900 4.057 -10.392 1.00 0.00 C ATOM 853 C SER A 62 5.313 3.241 -11.617 1.00 0.00 C ATOM 854 O SER A 62 4.942 3.556 -12.747 1.00 0.00 O ATOM 855 CB SER A 62 5.117 5.553 -10.625 1.00 0.00 C ATOM 856 OG SER A 62 6.342 5.980 -10.048 1.00 0.00 O ATOM 0 H SER A 62 6.484 4.187 -9.032 1.00 0.00 H new ATOM 0 HA SER A 62 3.838 3.881 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.121 5.762 -11.695 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.290 6.117 -10.193 1.00 0.00 H new ATOM 0 HG SER A 62 6.463 6.939 -10.209 1.00 0.00 H new ATOM 862 N GLU A 63 6.077 2.184 -11.375 1.00 0.00 N ATOM 863 CA GLU A 63 6.516 1.292 -12.434 1.00 0.00 C ATOM 864 C GLU A 63 5.487 0.190 -12.670 1.00 0.00 C ATOM 865 O GLU A 63 5.667 -0.949 -12.239 1.00 0.00 O ATOM 866 CB GLU A 63 7.873 0.682 -12.078 1.00 0.00 C ATOM 867 CG GLU A 63 8.975 1.713 -11.904 1.00 0.00 C ATOM 868 CD GLU A 63 9.265 2.470 -13.181 1.00 0.00 C ATOM 869 OE1 GLU A 63 10.118 2.007 -13.969 1.00 0.00 O ATOM 870 OE2 GLU A 63 8.644 3.530 -13.407 1.00 0.00 O ATOM 0 H GLU A 63 6.407 1.924 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 63 6.618 1.869 -13.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.774 0.109 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.163 -0.020 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.689 2.418 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.884 1.215 -11.566 1.00 0.00 H new ATOM 877 N GLY A 64 4.394 0.543 -13.331 1.00 0.00 N ATOM 878 CA GLY A 64 3.339 -0.413 -13.590 1.00 0.00 C ATOM 879 C GLY A 64 2.145 0.236 -14.253 1.00 0.00 C ATOM 880 O GLY A 64 2.219 1.401 -14.646 1.00 0.00 O ATOM 0 H GLY A 64 4.219 1.480 -13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.720 -1.211 -14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.028 -0.875 -12.653 1.00 0.00 H new ATOM 884 N PRO A 65 1.023 -0.487 -14.386 1.00 0.00 N ATOM 885 CA PRO A 65 -0.175 0.033 -15.045 1.00 0.00 C ATOM 886 C PRO A 65 -0.947 1.007 -14.160 1.00 0.00 C ATOM 887 O PRO A 65 -1.337 2.087 -14.598 1.00 0.00 O ATOM 888 CB PRO A 65 -1.000 -1.225 -15.318 1.00 0.00 C ATOM 889 CG PRO A 65 -0.587 -2.200 -14.269 1.00 0.00 C ATOM 890 CD PRO A 65 0.838 -1.868 -13.900 1.00 0.00 C ATOM 0 HA PRO A 65 0.064 0.602 -15.943 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.068 -1.015 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.804 -1.615 -16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.238 -2.129 -13.398 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.662 -3.222 -14.641 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.997 -1.937 -12.824 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.542 -2.554 -14.371 1.00 0.00 H new ATOM 898 N PHE A 66 -1.160 0.620 -12.910 1.00 0.00 N ATOM 899 CA PHE A 66 -1.884 1.451 -11.959 1.00 0.00 C ATOM 900 C PHE A 66 -1.051 1.674 -10.710 1.00 0.00 C ATOM 901 O PHE A 66 -1.584 1.932 -9.642 1.00 0.00 O ATOM 902 CB PHE A 66 -3.224 0.806 -11.586 1.00 0.00 C ATOM 903 CG PHE A 66 -4.263 0.901 -12.665 1.00 0.00 C ATOM 904 CD1 PHE A 66 -4.332 -0.051 -13.669 1.00 0.00 C ATOM 905 CD2 PHE A 66 -5.172 1.946 -12.674 1.00 0.00 C ATOM 906 CE1 PHE A 66 -5.288 0.037 -14.661 1.00 0.00 C ATOM 907 CE2 PHE A 66 -6.130 2.039 -13.664 1.00 0.00 C ATOM 908 CZ PHE A 66 -6.188 1.084 -14.660 1.00 0.00 C ATOM 0 H PHE A 66 -0.839 -0.270 -12.529 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.080 2.414 -12.430 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.057 -0.244 -11.347 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.607 1.282 -10.683 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.630 -0.872 -13.676 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.131 2.696 -11.898 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.332 -0.713 -15.437 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.834 2.858 -13.659 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.936 1.156 -15.436 1.00 0.00 H new ATOM 918 N GLY A 67 0.267 1.601 -10.863 1.00 0.00 N ATOM 919 CA GLY A 67 1.161 1.753 -9.726 1.00 0.00 C ATOM 920 C GLY A 67 1.331 0.462 -8.948 1.00 0.00 C ATOM 921 O GLY A 67 0.921 -0.599 -9.413 1.00 0.00 O ATOM 0 H GLY A 67 0.734 1.439 -11.755 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.135 2.094 -10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.773 2.526 -9.062 1.00 0.00 H new ATOM 925 N HIS A 68 1.957 0.547 -7.777 1.00 0.00 N ATOM 926 CA HIS A 68 2.169 -0.622 -6.920 1.00 0.00 C ATOM 927 C HIS A 68 2.105 -0.231 -5.455 1.00 0.00 C ATOM 928 O HIS A 68 3.122 0.159 -4.890 1.00 0.00 O ATOM 929 CB HIS A 68 3.543 -1.277 -7.164 1.00 0.00 C ATOM 930 CG HIS A 68 3.690 -1.985 -8.474 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.525 -3.345 -8.611 1.00 0.00 N ATOM 932 CD2 HIS A 68 4.033 -1.526 -9.696 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.767 -3.690 -9.862 1.00 0.00 C ATOM 934 NE2 HIS A 68 4.078 -2.604 -10.546 1.00 0.00 N ATOM 0 H HIS A 68 2.329 1.417 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 68 1.378 -1.330 -7.169 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.311 -0.507 -7.098 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.735 -1.989 -6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.235 -0.498 -9.958 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.719 -4.693 -10.260 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.312 -2.571 -11.538 1.00 0.00 H new ATOM 943 N VAL A 69 0.933 -0.308 -4.834 1.00 0.00 N ATOM 944 CA VAL A 69 0.860 -0.076 -3.408 1.00 0.00 C ATOM 945 C VAL A 69 0.419 -1.329 -2.665 1.00 0.00 C ATOM 946 O VAL A 69 -0.691 -1.838 -2.841 1.00 0.00 O ATOM 947 CB VAL A 69 -0.051 1.118 -3.065 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.468 2.352 -3.773 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.506 0.861 -3.439 1.00 0.00 C ATOM 0 H VAL A 69 0.045 -0.524 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 69 1.867 0.177 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.027 1.267 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.171 3.203 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.486 2.560 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.463 2.183 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.108 1.731 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.579 0.678 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.873 -0.010 -2.896 1.00 0.00 H new ATOM 959 N ALA A 70 1.331 -1.844 -1.863 1.00 0.00 N ATOM 960 CA ALA A 70 1.083 -3.023 -1.063 1.00 0.00 C ATOM 961 C ALA A 70 1.362 -2.711 0.392 1.00 0.00 C ATOM 962 O ALA A 70 2.441 -2.227 0.734 1.00 0.00 O ATOM 963 CB ALA A 70 1.943 -4.179 -1.540 1.00 0.00 C ATOM 0 H ALA A 70 2.267 -1.454 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 70 0.039 -3.317 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.744 -5.058 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.708 -4.402 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.996 -3.909 -1.455 1.00 0.00 H new ATOM 969 N TYR A 71 0.395 -2.981 1.247 1.00 0.00 N ATOM 970 CA TYR A 71 0.499 -2.617 2.646 1.00 0.00 C ATOM 971 C TYR A 71 1.537 -3.483 3.352 1.00 0.00 C ATOM 972 O TYR A 71 1.482 -4.711 3.296 1.00 0.00 O ATOM 973 CB TYR A 71 -0.868 -2.739 3.319 1.00 0.00 C ATOM 974 CG TYR A 71 -0.814 -2.683 4.825 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.704 -1.473 5.498 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.864 -3.848 5.571 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.648 -1.428 6.877 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.807 -3.812 6.952 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.699 -2.600 7.601 1.00 0.00 C ATOM 980 OH TYR A 71 -0.640 -2.564 8.975 1.00 0.00 O ATOM 0 H TYR A 71 -0.474 -3.453 0.996 1.00 0.00 H new ATOM 0 HA TYR A 71 0.828 -1.580 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.513 -1.938 2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.329 -3.679 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.662 -0.553 4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.949 -4.799 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.565 -0.479 7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.847 -4.730 7.520 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.689 -3.477 9.329 1.00 0.00 H new ATOM 990 N VAL A 72 2.485 -2.832 4.009 1.00 0.00 N ATOM 991 CA VAL A 72 3.563 -3.531 4.686 1.00 0.00 C ATOM 992 C VAL A 72 3.103 -3.988 6.061 1.00 0.00 C ATOM 993 O VAL A 72 2.873 -3.167 6.953 1.00 0.00 O ATOM 994 CB VAL A 72 4.816 -2.646 4.855 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.015 -3.503 5.230 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.098 -1.821 3.604 1.00 0.00 C ATOM 0 H VAL A 72 2.528 -1.816 4.087 1.00 0.00 H new ATOM 0 HA VAL A 72 3.827 -4.387 4.065 1.00 0.00 H new ATOM 0 HB VAL A 72 4.625 -1.941 5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.894 -2.868 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.814 -4.020 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.199 -4.236 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.988 -1.212 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.262 -2.488 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.247 -1.173 3.396 1.00 0.00 H new ATOM 1006 N GLU A 73 2.972 -5.293 6.236 1.00 0.00 N ATOM 1007 CA GLU A 73 2.468 -5.831 7.486 1.00 0.00 C ATOM 1008 C GLU A 73 3.605 -6.141 8.449 1.00 0.00 C ATOM 1009 O GLU A 73 3.383 -6.261 9.655 1.00 0.00 O ATOM 1010 CB GLU A 73 1.615 -7.079 7.241 1.00 0.00 C ATOM 1011 CG GLU A 73 0.417 -6.814 6.341 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.809 -7.626 6.711 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -0.705 -8.517 7.577 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.891 -7.361 6.148 1.00 0.00 O ATOM 0 H GLU A 73 3.206 -5.994 5.533 1.00 0.00 H new ATOM 0 HA GLU A 73 1.836 -5.069 7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.236 -7.854 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.265 -7.466 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.167 -5.754 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.692 -7.035 5.310 1.00 0.00 H new ATOM 1021 N SER A 74 4.820 -6.251 7.922 1.00 0.00 N ATOM 1022 CA SER A 74 5.979 -6.573 8.744 1.00 0.00 C ATOM 1023 C SER A 74 7.263 -6.495 7.929 1.00 0.00 C ATOM 1024 O SER A 74 7.235 -6.469 6.699 1.00 0.00 O ATOM 1025 CB SER A 74 5.836 -7.979 9.341 1.00 0.00 C ATOM 1026 OG SER A 74 5.626 -8.948 8.328 1.00 0.00 O ATOM 0 H SER A 74 5.027 -6.122 6.932 1.00 0.00 H new ATOM 0 HA SER A 74 6.031 -5.842 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.733 -8.229 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.002 -7.996 10.042 1.00 0.00 H new ATOM 0 HG SER A 74 5.540 -9.835 8.736 1.00 0.00 H new ATOM 1032 N VAL A 75 8.382 -6.436 8.628 1.00 0.00 N ATOM 1033 CA VAL A 75 9.687 -6.552 8.005 1.00 0.00 C ATOM 1034 C VAL A 75 10.395 -7.775 8.576 1.00 0.00 C ATOM 1035 O VAL A 75 10.327 -8.034 9.780 1.00 0.00 O ATOM 1036 CB VAL A 75 10.545 -5.280 8.218 1.00 0.00 C ATOM 1037 CG1 VAL A 75 10.708 -4.966 9.699 1.00 0.00 C ATOM 1038 CG2 VAL A 75 11.905 -5.417 7.539 1.00 0.00 C ATOM 0 H VAL A 75 8.412 -6.307 9.639 1.00 0.00 H new ATOM 0 HA VAL A 75 9.551 -6.665 6.929 1.00 0.00 H new ATOM 0 HB VAL A 75 10.019 -4.445 7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.315 -4.068 9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.728 -4.802 10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.198 -5.803 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.487 -4.510 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.437 -6.271 7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.764 -5.568 6.469 1.00 0.00 H new ATOM 1048 N ASN A 76 11.040 -8.542 7.718 1.00 0.00 N ATOM 1049 CA ASN A 76 11.709 -9.755 8.147 1.00 0.00 C ATOM 1050 C ASN A 76 13.145 -9.434 8.526 1.00 0.00 C ATOM 1051 O ASN A 76 13.712 -8.443 8.059 1.00 0.00 O ATOM 1052 CB ASN A 76 11.678 -10.817 7.041 1.00 0.00 C ATOM 1053 CG ASN A 76 10.276 -11.090 6.531 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.290 -10.935 7.255 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.178 -11.503 5.278 1.00 0.00 N ATOM 0 H ASN A 76 11.115 -8.347 6.720 1.00 0.00 H new ATOM 0 HA ASN A 76 11.185 -10.156 9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.305 -10.490 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.109 -11.743 7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.262 -11.706 4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.019 -11.619 4.712 1.00 0.00 H new ATOM 1062 N SER A 77 13.737 -10.265 9.369 1.00 0.00 N ATOM 1063 CA SER A 77 15.100 -10.040 9.830 1.00 0.00 C ATOM 1064 C SER A 77 16.128 -10.359 8.743 1.00 0.00 C ATOM 1065 O SER A 77 17.333 -10.196 8.945 1.00 0.00 O ATOM 1066 CB SER A 77 15.356 -10.869 11.087 1.00 0.00 C ATOM 1067 OG SER A 77 14.565 -12.047 11.082 1.00 0.00 O ATOM 0 H SER A 77 13.296 -11.102 9.749 1.00 0.00 H new ATOM 0 HA SER A 77 15.212 -8.982 10.068 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.412 -11.134 11.145 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.128 -10.276 11.972 1.00 0.00 H new ATOM 0 HG SER A 77 14.745 -12.565 11.894 1.00 0.00 H new ATOM 1073 N ASP A 78 15.640 -10.801 7.588 1.00 0.00 N ATOM 1074 CA ASP A 78 16.498 -11.077 6.438 1.00 0.00 C ATOM 1075 C ASP A 78 16.836 -9.787 5.704 1.00 0.00 C ATOM 1076 O ASP A 78 17.744 -9.748 4.873 1.00 0.00 O ATOM 1077 CB ASP A 78 15.805 -12.039 5.469 1.00 0.00 C ATOM 1078 CG ASP A 78 15.476 -13.375 6.097 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.423 -13.478 6.757 1.00 0.00 O ATOM 1080 OD2 ASP A 78 16.270 -14.327 5.935 1.00 0.00 O ATOM 0 H ASP A 78 14.649 -10.977 7.422 1.00 0.00 H new ATOM 0 HA ASP A 78 17.416 -11.535 6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.887 -11.579 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.447 -12.199 4.603 1.00 0.00 H new ATOM 1085 N GLY A 79 16.095 -8.732 6.017 1.00 0.00 N ATOM 1086 CA GLY A 79 16.273 -7.465 5.335 1.00 0.00 C ATOM 1087 C GLY A 79 15.185 -7.227 4.312 1.00 0.00 C ATOM 1088 O GLY A 79 15.125 -6.172 3.682 1.00 0.00 O ATOM 0 H GLY A 79 15.370 -8.732 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.271 -6.655 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.246 -7.449 4.843 1.00 0.00 H new ATOM 1092 N SER A 80 14.329 -8.219 4.146 1.00 0.00 N ATOM 1093 CA SER A 80 13.203 -8.119 3.241 1.00 0.00 C ATOM 1094 C SER A 80 11.920 -7.879 4.027 1.00 0.00 C ATOM 1095 O SER A 80 11.784 -8.342 5.158 1.00 0.00 O ATOM 1096 CB SER A 80 13.102 -9.400 2.412 1.00 0.00 C ATOM 1097 OG SER A 80 13.242 -10.550 3.232 1.00 0.00 O ATOM 0 H SER A 80 14.396 -9.112 4.634 1.00 0.00 H new ATOM 0 HA SER A 80 13.350 -7.275 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.141 -9.430 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.874 -9.401 1.643 1.00 0.00 H new ATOM 0 HG SER A 80 13.172 -11.356 2.679 1.00 0.00 H new ATOM 1103 N VAL A 81 10.990 -7.140 3.448 1.00 0.00 N ATOM 1104 CA VAL A 81 9.737 -6.841 4.120 1.00 0.00 C ATOM 1105 C VAL A 81 8.604 -7.697 3.569 1.00 0.00 C ATOM 1106 O VAL A 81 8.630 -8.115 2.408 1.00 0.00 O ATOM 1107 CB VAL A 81 9.353 -5.347 3.998 1.00 0.00 C ATOM 1108 CG1 VAL A 81 10.467 -4.460 4.531 1.00 0.00 C ATOM 1109 CG2 VAL A 81 9.012 -4.979 2.561 1.00 0.00 C ATOM 0 H VAL A 81 11.078 -6.736 2.515 1.00 0.00 H new ATOM 0 HA VAL A 81 9.888 -7.072 5.174 1.00 0.00 H new ATOM 0 HB VAL A 81 8.462 -5.182 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.176 -3.414 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.647 -4.693 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.378 -4.637 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.747 -3.923 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.875 -5.168 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.170 -5.582 2.221 1.00 0.00 H new ATOM 1119 N THR A 82 7.616 -7.948 4.408 1.00 0.00 N ATOM 1120 CA THR A 82 6.457 -8.723 4.019 1.00 0.00 C ATOM 1121 C THR A 82 5.249 -7.808 3.843 1.00 0.00 C ATOM 1122 O THR A 82 4.783 -7.176 4.795 1.00 0.00 O ATOM 1123 CB THR A 82 6.147 -9.818 5.058 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.275 -10.696 5.178 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.917 -10.619 4.652 1.00 0.00 C ATOM 0 H THR A 82 7.596 -7.621 5.374 1.00 0.00 H new ATOM 0 HA THR A 82 6.678 -9.210 3.069 1.00 0.00 H new ATOM 0 HB THR A 82 5.946 -9.340 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.733 -10.526 6.028 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.719 -11.386 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.057 -9.953 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.094 -11.092 3.686 1.00 0.00 H new ATOM 1133 N ILE A 83 4.761 -7.724 2.617 1.00 0.00 N ATOM 1134 CA ILE A 83 3.662 -6.832 2.293 1.00 0.00 C ATOM 1135 C ILE A 83 2.450 -7.618 1.811 1.00 0.00 C ATOM 1136 O ILE A 83 2.585 -8.626 1.114 1.00 0.00 O ATOM 1137 CB ILE A 83 4.077 -5.799 1.220 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.623 -6.505 -0.021 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.118 -4.845 1.782 1.00 0.00 C ATOM 1140 CD1 ILE A 83 5.047 -5.563 -1.127 1.00 0.00 C ATOM 0 H ILE A 83 5.111 -8.266 1.827 1.00 0.00 H new ATOM 0 HA ILE A 83 3.396 -6.297 3.205 1.00 0.00 H new ATOM 0 HB ILE A 83 3.195 -5.227 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.477 -7.118 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.861 -7.182 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.401 -4.123 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.703 -4.318 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.998 -5.408 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.423 -6.140 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.191 -4.968 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.833 -4.902 -0.761 1.00 0.00 H new ATOM 1152 N SER A 84 1.271 -7.158 2.198 1.00 0.00 N ATOM 1153 CA SER A 84 0.032 -7.803 1.806 1.00 0.00 C ATOM 1154 C SER A 84 -0.806 -6.870 0.935 1.00 0.00 C ATOM 1155 O SER A 84 -1.355 -5.873 1.407 1.00 0.00 O ATOM 1156 CB SER A 84 -0.756 -8.240 3.042 1.00 0.00 C ATOM 1157 OG SER A 84 0.000 -9.150 3.827 1.00 0.00 O ATOM 0 H SER A 84 1.148 -6.335 2.787 1.00 0.00 H new ATOM 0 HA SER A 84 0.274 -8.690 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.017 -7.367 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.692 -8.708 2.736 1.00 0.00 H new ATOM 0 HG SER A 84 -0.521 -9.415 4.613 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.858 -7.189 -0.344 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.661 -6.446 -1.308 1.00 0.00 C ATOM 1165 C GLU A 85 -2.844 -7.288 -1.773 1.00 0.00 C ATOM 1166 O GLU A 85 -2.677 -8.300 -2.449 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.805 -6.038 -2.516 1.00 0.00 C ATOM 1168 CG GLU A 85 0.000 -7.187 -3.101 1.00 0.00 C ATOM 1169 CD GLU A 85 0.756 -6.811 -4.358 1.00 0.00 C ATOM 1170 OE1 GLU A 85 1.763 -6.087 -4.257 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.360 -7.270 -5.450 1.00 0.00 O ATOM 0 H GLU A 85 -0.345 -7.972 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.037 -5.546 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.454 -5.628 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.123 -5.242 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.708 -7.543 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.672 -8.016 -3.324 1.00 0.00 H new ATOM 1178 N MET A 86 -4.043 -6.894 -1.385 1.00 0.00 N ATOM 1179 CA MET A 86 -5.232 -7.615 -1.803 1.00 0.00 C ATOM 1180 C MET A 86 -5.569 -7.290 -3.252 1.00 0.00 C ATOM 1181 O MET A 86 -5.919 -6.154 -3.576 1.00 0.00 O ATOM 1182 CB MET A 86 -6.413 -7.291 -0.890 1.00 0.00 C ATOM 1183 CG MET A 86 -7.688 -8.020 -1.271 1.00 0.00 C ATOM 1184 SD MET A 86 -8.994 -7.853 -0.041 1.00 0.00 S ATOM 1185 CE MET A 86 -8.315 -8.817 1.309 1.00 0.00 C ATOM 0 H MET A 86 -4.219 -6.087 -0.787 1.00 0.00 H new ATOM 0 HA MET A 86 -5.029 -8.683 -1.727 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.150 -7.547 0.136 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.597 -6.217 -0.914 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.046 -7.637 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.466 -9.077 -1.414 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.968 -8.736 2.178 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.239 -9.862 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.324 -8.440 1.563 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.413 -8.298 -4.112 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.701 -8.199 -5.547 1.00 0.00 C ATOM 1197 C ASN A 87 -4.657 -7.373 -6.283 1.00 0.00 C ATOM 1198 O ASN A 87 -4.010 -7.881 -7.205 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.106 -7.638 -5.813 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.378 -7.413 -7.294 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -6.802 -8.073 -8.152 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.276 -6.497 -7.606 1.00 0.00 N ATOM 0 H ASN A 87 -5.079 -9.219 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.662 -9.217 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.850 -8.327 -5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.223 -6.695 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.508 -6.322 -8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.738 -5.964 -6.869 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.493 -6.114 -5.872 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.626 -5.175 -6.572 1.00 0.00 C ATOM 1211 C TYR A 88 -4.210 -4.841 -7.948 1.00 0.00 C ATOM 1212 O TYR A 88 -4.819 -3.783 -8.122 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.187 -5.725 -6.658 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.348 -5.180 -7.800 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.052 -3.827 -7.908 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.863 -6.036 -8.782 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.296 -3.347 -8.962 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.110 -5.563 -9.835 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.171 -4.220 -9.921 1.00 0.00 C ATOM 1220 OH TYR A 88 0.920 -3.749 -10.976 1.00 0.00 O ATOM 0 H TYR A 88 -4.955 -5.723 -5.051 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.574 -4.244 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.677 -5.508 -5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.236 -6.810 -6.751 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.417 -3.140 -7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.080 -7.092 -8.719 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.073 -2.293 -9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.257 -6.244 -10.589 1.00 0.00 H new ATOM 0 HH TYR A 88 1.170 -4.496 -11.559 1.00 0.00 H new ATOM 1230 N SER A 89 -4.062 -5.754 -8.901 1.00 0.00 N ATOM 1231 CA SER A 89 -4.551 -5.563 -10.263 1.00 0.00 C ATOM 1232 C SER A 89 -4.587 -6.901 -10.999 1.00 0.00 C ATOM 1233 O SER A 89 -3.912 -7.079 -12.015 1.00 0.00 O ATOM 1234 CB SER A 89 -3.656 -4.576 -11.029 1.00 0.00 C ATOM 1235 OG SER A 89 -3.716 -3.275 -10.470 1.00 0.00 O ATOM 0 H SER A 89 -3.598 -6.650 -8.751 1.00 0.00 H new ATOM 0 HA SER A 89 -5.559 -5.152 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.626 -4.932 -11.015 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.966 -4.538 -12.073 1.00 0.00 H new ATOM 0 HG SER A 89 -4.413 -3.246 -9.782 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.352 -7.849 -10.475 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.429 -9.156 -11.093 1.00 0.00 C ATOM 1243 C GLY A 90 -6.451 -10.056 -10.431 1.00 0.00 C ATOM 1244 O GLY A 90 -7.632 -10.020 -10.782 1.00 0.00 O ATOM 0 H GLY A 90 -5.919 -7.736 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.681 -9.041 -12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.449 -9.632 -11.050 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.001 -10.852 -9.470 1.00 0.00 N ATOM 1249 CA GLY A 91 -6.889 -11.781 -8.801 1.00 0.00 C ATOM 1250 C GLY A 91 -7.703 -11.111 -7.716 1.00 0.00 C ATOM 1251 O GLY A 91 -7.147 -10.680 -6.706 1.00 0.00 O ATOM 0 H GLY A 91 -5.035 -10.870 -9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.561 -12.230 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.304 -12.591 -8.366 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.030 -11.012 -7.897 1.00 0.00 N ATOM 1256 CA PRO A 92 -9.920 -10.337 -6.945 1.00 0.00 C ATOM 1257 C PRO A 92 -9.791 -10.884 -5.527 1.00 0.00 C ATOM 1258 O PRO A 92 -10.031 -12.068 -5.276 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.320 -10.610 -7.502 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.101 -10.853 -8.953 1.00 0.00 C ATOM 1261 CD PRO A 92 -9.774 -11.551 -9.051 1.00 0.00 C ATOM 0 HA PRO A 92 -9.683 -9.277 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.778 -11.473 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.985 -9.762 -7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.898 -11.467 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.093 -9.916 -9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.882 -12.634 -8.991 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.271 -11.332 -9.993 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.373 -10.003 -4.617 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.228 -10.314 -3.196 1.00 0.00 C ATOM 1271 C PHE A 93 -8.059 -11.246 -2.926 1.00 0.00 C ATOM 1272 O PHE A 93 -7.908 -11.736 -1.806 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.498 -10.915 -2.596 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.641 -9.945 -2.476 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.392 -9.591 -3.585 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -11.963 -9.386 -1.250 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.442 -8.699 -3.472 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.012 -8.495 -1.131 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.751 -8.152 -2.243 1.00 0.00 C ATOM 0 H PHE A 93 -9.123 -9.042 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.034 -9.357 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -10.814 -11.757 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.267 -11.311 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.154 -10.017 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.386 -9.650 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.020 -8.431 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.253 -8.068 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.571 -7.456 -2.153 1.00 0.00 H new ATOM 1289 N SER A 94 -7.232 -11.495 -3.930 1.00 0.00 N ATOM 1290 CA SER A 94 -6.023 -12.264 -3.708 1.00 0.00 C ATOM 1291 C SER A 94 -5.060 -11.458 -2.869 1.00 0.00 C ATOM 1292 O SER A 94 -4.260 -10.687 -3.400 1.00 0.00 O ATOM 1293 CB SER A 94 -5.354 -12.652 -5.023 1.00 0.00 C ATOM 1294 OG SER A 94 -6.198 -13.490 -5.793 1.00 0.00 O ATOM 0 H SER A 94 -7.374 -11.181 -4.890 1.00 0.00 H new ATOM 0 HA SER A 94 -6.298 -13.181 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.111 -11.754 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.414 -13.165 -4.820 1.00 0.00 H new ATOM 0 HG SER A 94 -5.695 -13.853 -6.552 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.191 -11.577 -1.557 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.263 -10.939 -0.653 1.00 0.00 C ATOM 1302 C VAL A 95 -2.857 -11.489 -0.908 1.00 0.00 C ATOM 1303 O VAL A 95 -2.468 -12.541 -0.399 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.690 -11.109 0.826 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.968 -12.568 1.162 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.643 -10.528 1.767 1.00 0.00 C ATOM 0 H VAL A 95 -5.931 -12.110 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.263 -9.866 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.618 -10.554 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.265 -12.650 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.771 -12.941 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.067 -13.158 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.968 -10.661 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.693 -11.042 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.517 -9.465 1.560 1.00 0.00 H new ATOM 1316 N SER A 96 -2.125 -10.792 -1.754 1.00 0.00 N ATOM 1317 CA SER A 96 -0.859 -11.276 -2.252 1.00 0.00 C ATOM 1318 C SER A 96 0.259 -10.995 -1.269 1.00 0.00 C ATOM 1319 O SER A 96 0.517 -9.844 -0.905 1.00 0.00 O ATOM 1320 CB SER A 96 -0.560 -10.639 -3.609 1.00 0.00 C ATOM 1321 OG SER A 96 -1.605 -10.915 -4.532 1.00 0.00 O ATOM 0 H SER A 96 -2.393 -9.876 -2.113 1.00 0.00 H new ATOM 0 HA SER A 96 -0.925 -12.357 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.445 -9.561 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.385 -11.021 -3.996 1.00 0.00 H new ATOM 0 HG SER A 96 -2.470 -10.729 -4.112 1.00 0.00 H new ATOM 1327 N SER A 97 0.899 -12.058 -0.830 1.00 0.00 N ATOM 1328 CA SER A 97 2.026 -11.946 0.083 1.00 0.00 C ATOM 1329 C SER A 97 3.327 -11.770 -0.694 1.00 0.00 C ATOM 1330 O SER A 97 3.884 -12.733 -1.219 1.00 0.00 O ATOM 1331 CB SER A 97 2.108 -13.185 0.976 1.00 0.00 C ATOM 1332 OG SER A 97 0.872 -13.419 1.631 1.00 0.00 O ATOM 0 H SER A 97 0.660 -13.015 -1.090 1.00 0.00 H new ATOM 0 HA SER A 97 1.876 -11.068 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.376 -14.054 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.897 -13.053 1.716 1.00 0.00 H new ATOM 0 HG SER A 97 0.947 -14.217 2.195 1.00 0.00 H new ATOM 1338 N ARG A 98 3.794 -10.532 -0.784 1.00 0.00 N ATOM 1339 CA ARG A 98 5.023 -10.234 -1.506 1.00 0.00 C ATOM 1340 C ARG A 98 6.192 -10.133 -0.538 1.00 0.00 C ATOM 1341 O ARG A 98 6.001 -9.967 0.670 1.00 0.00 O ATOM 1342 CB ARG A 98 4.925 -8.911 -2.261 1.00 0.00 C ATOM 1343 CG ARG A 98 3.663 -8.724 -3.074 1.00 0.00 C ATOM 1344 CD ARG A 98 3.644 -9.585 -4.321 1.00 0.00 C ATOM 1345 NE ARG A 98 2.568 -9.181 -5.216 1.00 0.00 N ATOM 1346 CZ ARG A 98 2.200 -9.840 -6.305 1.00 0.00 C ATOM 1347 NH1 ARG A 98 2.824 -10.956 -6.667 1.00 0.00 N ATOM 1348 NH2 ARG A 98 1.203 -9.365 -7.037 1.00 0.00 N ATOM 0 H ARG A 98 3.341 -9.719 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 98 5.179 -11.046 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.999 -8.095 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.783 -8.827 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.798 -8.965 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.570 -7.676 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.601 -9.505 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.518 -10.631 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 98 2.060 -8.327 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.596 -11.314 -6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.531 -11.454 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.731 -8.504 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.907 -9.860 -7.878 1.00 0.00 H new ATOM 1362 N THR A 99 7.391 -10.201 -1.083 1.00 0.00 N ATOM 1363 CA THR A 99 8.606 -10.056 -0.299 1.00 0.00 C ATOM 1364 C THR A 99 9.522 -9.018 -0.945 1.00 0.00 C ATOM 1365 O THR A 99 10.081 -9.253 -2.015 1.00 0.00 O ATOM 1366 CB THR A 99 9.358 -11.398 -0.177 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.467 -12.414 0.310 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.541 -11.273 0.770 1.00 0.00 C ATOM 0 H THR A 99 7.552 -10.358 -2.078 1.00 0.00 H new ATOM 0 HA THR A 99 8.322 -9.728 0.701 1.00 0.00 H new ATOM 0 HB THR A 99 9.727 -11.672 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.949 -13.264 0.384 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.055 -12.232 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.231 -10.518 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.187 -10.979 1.758 1.00 0.00 H new ATOM 1376 N ILE A 100 9.653 -7.863 -0.306 1.00 0.00 N ATOM 1377 CA ILE A 100 10.489 -6.794 -0.837 1.00 0.00 C ATOM 1378 C ILE A 100 11.845 -6.794 -0.155 1.00 0.00 C ATOM 1379 O ILE A 100 11.949 -6.456 1.022 1.00 0.00 O ATOM 1380 CB ILE A 100 9.849 -5.401 -0.643 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.494 -5.310 -1.338 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.771 -4.301 -1.152 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.534 -5.636 -2.819 1.00 0.00 C ATOM 0 H ILE A 100 9.193 -7.643 0.577 1.00 0.00 H new ATOM 0 HA ILE A 100 10.596 -6.985 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 100 9.695 -5.261 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.799 -5.990 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.099 -4.302 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.297 -3.331 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.712 -4.332 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.965 -4.451 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.532 -5.548 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.202 -4.940 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.897 -6.654 -2.958 1.00 0.00 H new ATOM 1395 N SER A 101 12.877 -7.176 -0.884 1.00 0.00 N ATOM 1396 CA SER A 101 14.226 -7.148 -0.347 1.00 0.00 C ATOM 1397 C SER A 101 14.705 -5.701 -0.245 1.00 0.00 C ATOM 1398 O SER A 101 14.175 -4.825 -0.926 1.00 0.00 O ATOM 1399 CB SER A 101 15.155 -7.969 -1.242 1.00 0.00 C ATOM 1400 OG SER A 101 14.611 -9.257 -1.490 1.00 0.00 O ATOM 0 H SER A 101 12.808 -7.508 -1.846 1.00 0.00 H new ATOM 0 HA SER A 101 14.235 -7.587 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.311 -7.448 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.131 -8.067 -0.767 1.00 0.00 H new ATOM 0 HG SER A 101 13.960 -9.202 -2.221 1.00 0.00 H new ATOM 1406 N ALA A 102 15.686 -5.448 0.618 1.00 0.00 N ATOM 1407 CA ALA A 102 16.247 -4.105 0.785 1.00 0.00 C ATOM 1408 C ALA A 102 16.686 -3.508 -0.557 1.00 0.00 C ATOM 1409 O ALA A 102 16.499 -2.311 -0.813 1.00 0.00 O ATOM 1410 CB ALA A 102 17.419 -4.145 1.759 1.00 0.00 C ATOM 0 H ALA A 102 16.112 -6.157 1.216 1.00 0.00 H new ATOM 0 HA ALA A 102 15.466 -3.462 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.829 -3.142 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.076 -4.512 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.191 -4.810 1.372 1.00 0.00 H new ATOM 1416 N SER A 103 17.252 -4.355 -1.412 1.00 0.00 N ATOM 1417 CA SER A 103 17.674 -3.940 -2.746 1.00 0.00 C ATOM 1418 C SER A 103 16.493 -3.379 -3.543 1.00 0.00 C ATOM 1419 O SER A 103 16.642 -2.431 -4.318 1.00 0.00 O ATOM 1420 CB SER A 103 18.314 -5.122 -3.482 1.00 0.00 C ATOM 1421 OG SER A 103 17.518 -6.296 -3.361 1.00 0.00 O ATOM 0 H SER A 103 17.430 -5.337 -1.203 1.00 0.00 H new ATOM 0 HA SER A 103 18.414 -3.146 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.441 -4.872 -4.535 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.308 -5.310 -3.077 1.00 0.00 H new ATOM 0 HG SER A 103 17.948 -7.034 -3.841 1.00 0.00 H new ATOM 1427 N GLU A 104 15.319 -3.958 -3.325 1.00 0.00 N ATOM 1428 CA GLU A 104 14.095 -3.497 -3.965 1.00 0.00 C ATOM 1429 C GLU A 104 13.505 -2.315 -3.210 1.00 0.00 C ATOM 1430 O GLU A 104 12.964 -1.392 -3.810 1.00 0.00 O ATOM 1431 CB GLU A 104 13.073 -4.624 -4.013 1.00 0.00 C ATOM 1432 CG GLU A 104 13.446 -5.739 -4.962 1.00 0.00 C ATOM 1433 CD GLU A 104 12.647 -6.995 -4.697 1.00 0.00 C ATOM 1434 OE1 GLU A 104 12.968 -7.715 -3.725 1.00 0.00 O ATOM 1435 OE2 GLU A 104 11.704 -7.277 -5.460 1.00 0.00 O ATOM 0 H GLU A 104 15.189 -4.756 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 104 14.340 -3.183 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.952 -5.036 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.107 -4.215 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.280 -5.413 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.509 -5.958 -4.865 1.00 0.00 H new ATOM 1442 N ALA A 105 13.616 -2.346 -1.888 1.00 0.00 N ATOM 1443 CA ALA A 105 13.111 -1.266 -1.047 1.00 0.00 C ATOM 1444 C ALA A 105 13.668 0.076 -1.503 1.00 0.00 C ATOM 1445 O ALA A 105 13.013 1.110 -1.380 1.00 0.00 O ATOM 1446 CB ALA A 105 13.468 -1.523 0.410 1.00 0.00 C ATOM 0 H ALA A 105 14.053 -3.110 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 105 12.025 -1.234 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.086 -0.710 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 105 13.023 -2.464 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.552 -1.579 0.515 1.00 0.00 H new ATOM 1452 N GLY A 106 14.877 0.039 -2.049 1.00 0.00 N ATOM 1453 CA GLY A 106 15.502 1.236 -2.573 1.00 0.00 C ATOM 1454 C GLY A 106 14.744 1.883 -3.732 1.00 0.00 C ATOM 1455 O GLY A 106 14.906 3.079 -3.977 1.00 0.00 O ATOM 0 H GLY A 106 15.439 -0.807 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.601 1.963 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.510 0.990 -2.906 1.00 0.00 H new ATOM 1459 N ASN A 107 13.925 1.116 -4.459 1.00 0.00 N ATOM 1460 CA ASN A 107 13.176 1.682 -5.588 1.00 0.00 C ATOM 1461 C ASN A 107 11.716 1.919 -5.225 1.00 0.00 C ATOM 1462 O ASN A 107 10.937 2.409 -6.044 1.00 0.00 O ATOM 1463 CB ASN A 107 13.248 0.799 -6.851 1.00 0.00 C ATOM 1464 CG ASN A 107 12.470 -0.512 -6.752 1.00 0.00 C ATOM 1465 OD1 ASN A 107 13.044 -1.562 -6.475 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.160 -0.463 -6.995 1.00 0.00 N ATOM 0 H ASN A 107 13.765 0.123 -4.292 1.00 0.00 H new ATOM 0 HA ASN A 107 13.654 2.636 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.869 1.369 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.293 0.572 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.601 -1.315 -6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.716 0.427 -7.222 1.00 0.00 H new ATOM 1473 N TYR A 108 11.343 1.582 -4.005 1.00 0.00 N ATOM 1474 CA TYR A 108 9.961 1.710 -3.583 1.00 0.00 C ATOM 1475 C TYR A 108 9.779 2.881 -2.637 1.00 0.00 C ATOM 1476 O TYR A 108 10.568 3.080 -1.714 1.00 0.00 O ATOM 1477 CB TYR A 108 9.474 0.425 -2.919 1.00 0.00 C ATOM 1478 CG TYR A 108 9.280 -0.721 -3.886 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.346 -0.634 -4.906 1.00 0.00 C ATOM 1480 CD2 TYR A 108 10.028 -1.884 -3.780 1.00 0.00 C ATOM 1481 CE1 TYR A 108 8.162 -1.675 -5.796 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.850 -2.927 -4.667 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.917 -2.818 -5.672 1.00 0.00 C ATOM 1484 OH TYR A 108 8.741 -3.855 -6.557 1.00 0.00 O ATOM 0 H TYR A 108 11.975 1.219 -3.291 1.00 0.00 H new ATOM 0 HA TYR A 108 9.364 1.894 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.191 0.127 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.531 0.624 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.752 0.262 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.761 -1.975 -2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.429 -1.592 -6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.441 -3.826 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 108 9.353 -4.586 -6.330 1.00 0.00 H new ATOM 1494 N ASN A 109 8.742 3.663 -2.888 1.00 0.00 N ATOM 1495 CA ASN A 109 8.379 4.764 -2.011 1.00 0.00 C ATOM 1496 C ASN A 109 7.435 4.232 -0.947 1.00 0.00 C ATOM 1497 O ASN A 109 6.867 3.155 -1.105 1.00 0.00 O ATOM 1498 CB ASN A 109 7.671 5.892 -2.789 1.00 0.00 C ATOM 1499 CG ASN A 109 8.423 6.349 -4.023 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.649 6.287 -4.089 1.00 0.00 O ATOM 1501 ND2 ASN A 109 7.684 6.816 -5.018 1.00 0.00 N ATOM 0 H ASN A 109 8.132 3.554 -3.699 1.00 0.00 H new ATOM 0 HA ASN A 109 9.286 5.175 -1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.679 5.550 -3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.529 6.745 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.130 7.140 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.669 6.852 -4.926 1.00 0.00 H new ATOM 1508 N TYR A 110 7.275 4.965 0.130 1.00 0.00 N ATOM 1509 CA TYR A 110 6.257 4.638 1.104 1.00 0.00 C ATOM 1510 C TYR A 110 5.827 5.906 1.811 1.00 0.00 C ATOM 1511 O TYR A 110 6.651 6.785 2.079 1.00 0.00 O ATOM 1512 CB TYR A 110 6.748 3.588 2.112 1.00 0.00 C ATOM 1513 CG TYR A 110 7.609 4.136 3.223 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.872 4.634 2.965 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.148 4.156 4.529 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.653 5.142 3.978 1.00 0.00 C ATOM 1517 CE2 TYR A 110 7.925 4.659 5.551 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.179 5.153 5.269 1.00 0.00 C ATOM 1519 OH TYR A 110 9.959 5.672 6.276 1.00 0.00 O ATOM 0 H TYR A 110 7.833 5.789 0.354 1.00 0.00 H new ATOM 0 HA TYR A 110 5.404 4.200 0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.882 3.093 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.312 2.825 1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.252 4.624 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.163 3.771 4.751 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.636 5.531 3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.553 4.665 6.565 1.00 0.00 H new ATOM 0 HH TYR A 110 9.479 5.607 7.128 1.00 0.00 H new ATOM 1529 N ILE A 111 4.546 6.014 2.097 1.00 0.00 N ATOM 1530 CA ILE A 111 4.021 7.226 2.680 1.00 0.00 C ATOM 1531 C ILE A 111 3.730 7.025 4.162 1.00 0.00 C ATOM 1532 O ILE A 111 2.862 6.245 4.547 1.00 0.00 O ATOM 1533 CB ILE A 111 2.769 7.725 1.916 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.645 6.682 1.929 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.152 8.064 0.481 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.398 7.119 1.183 1.00 0.00 C ATOM 0 H ILE A 111 3.855 5.281 1.936 1.00 0.00 H new ATOM 0 HA ILE A 111 4.781 8.002 2.589 1.00 0.00 H new ATOM 0 HB ILE A 111 2.396 8.617 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.015 5.756 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.380 6.459 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.272 8.415 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.912 8.845 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.547 7.174 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.353 6.330 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.002 8.028 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.647 7.313 0.140 1.00 0.00 H new ATOM 1548 N HIS A 112 4.501 7.702 4.992 1.00 0.00 N ATOM 1549 CA HIS A 112 4.338 7.598 6.429 1.00 0.00 C ATOM 1550 C HIS A 112 3.905 8.944 6.993 1.00 0.00 C ATOM 1551 O HIS A 112 4.397 9.985 6.563 1.00 0.00 O ATOM 1552 CB HIS A 112 5.630 7.085 7.100 1.00 0.00 C ATOM 1553 CG HIS A 112 6.833 7.973 6.947 1.00 0.00 C ATOM 1554 ND1 HIS A 112 7.140 8.972 7.844 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.831 7.989 6.017 1.00 0.00 C ATOM 1556 CE1 HIS A 112 8.255 9.566 7.480 1.00 0.00 C ATOM 1557 NE2 HIS A 112 8.697 8.992 6.379 1.00 0.00 N ATOM 0 H HIS A 112 5.247 8.331 4.695 1.00 0.00 H new ATOM 0 HA HIS A 112 3.559 6.867 6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.436 6.945 8.163 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.869 6.105 6.688 1.00 0.00 H new ATOM 0 HD1 HIS A 112 6.586 9.214 8.666 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.923 7.338 5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.729 10.387 7.997 1.00 0.00 H new ATOM 1566 N ILE A 113 2.964 8.914 7.927 1.00 0.00 N ATOM 1567 CA ILE A 113 2.388 10.134 8.485 1.00 0.00 C ATOM 1568 C ILE A 113 3.445 10.918 9.256 1.00 0.00 C ATOM 1569 O ILE A 113 3.695 10.579 10.431 1.00 0.00 O ATOM 1570 CB ILE A 113 1.205 9.806 9.427 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.251 8.815 8.760 1.00 0.00 C ATOM 1572 CG2 ILE A 113 0.459 11.076 9.822 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -0.880 8.363 9.661 1.00 0.00 C ATOM 1574 OXT ILE A 113 4.043 11.847 8.675 1.00 0.00 O ATOM 0 H ILE A 113 2.580 8.053 8.317 1.00 0.00 H new ATOM 0 HA ILE A 113 2.022 10.739 7.655 1.00 0.00 H new ATOM 0 HB ILE A 113 1.606 9.350 10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.170 9.274 7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.816 7.942 8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.368 10.821 10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.141 11.753 10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.071 11.563 8.927 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.517 7.662 9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.469 7.874 10.544 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.470 9.227 9.966 1.00 0.00 H new TER 1586 ILE A 113