USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 850 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 63 THR OG1 : rot -172:sc= 0.35 USER MOD Set 1.2: A 65 SER OG : rot -32:sc= 0.213 USER MOD Set 1.3: A 66 GLN : amide:sc= 0.619 K(o=1.2,f=0.66) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0.127 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.467 K(o=0.59,f=-2.9!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 23 TYR OH : rot 110:sc= -0.0148 USER MOD Single : A 24 TYR OH : rot 180:sc= 0.0356 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 170:sc= 0.109 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.565 X(o=-0.57,f=-0.57) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= 1.1 (180deg=0.21) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= 0.111 (180deg=-0.117) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 50 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.014) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0415) USER MOD Single : A 57 SER OG : rot -11:sc= 0.0624 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 127:sc= 1.3 (180deg=0.487) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= 1.2 (180deg=1.04) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 82:sc= 1.3 USER MOD Single : A 84 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.22) USER MOD Single : A 85 ASN : amide:sc= -0.0858 K(o=-0.086,f=-1.2) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.2) USER MOD Single : A 95 THR OG1 : rot 71:sc= 1.12 USER MOD Single : A 98 THR OG1 : rot -127:sc= 1.18 USER MOD Single : A 104 ASN : amide:sc= -0.611 K(o=-0.61,f=-7.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.744 K(o=-0.74,f=0.068) USER MOD Single : A 114 HIS : no HD1:sc= 0.965 K(o=0.97,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 13 8.340 -14.016 9.296 1.00 0.00 N ATOM 2 CA GLU A 13 7.290 -15.019 9.097 1.00 0.00 C ATOM 3 C GLU A 13 6.941 -15.775 10.376 1.00 0.00 C ATOM 4 O GLU A 13 5.782 -16.152 10.532 1.00 0.00 O ATOM 5 CB GLU A 13 7.781 -16.048 8.090 1.00 0.00 C ATOM 6 CG GLU A 13 6.702 -16.764 7.289 1.00 0.00 C ATOM 7 CD GLU A 13 7.190 -17.669 6.176 1.00 0.00 C ATOM 8 OE1 GLU A 13 8.013 -18.589 6.410 1.00 0.00 O ATOM 9 OE2 GLU A 13 7.011 -17.309 4.994 1.00 0.00 O ATOM 0 HA GLU A 13 6.403 -14.485 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.455 -15.551 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.368 -16.797 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.102 -17.359 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.041 -16.013 6.856 1.00 0.00 H new ATOM 18 N ASN A 14 7.876 -16.089 11.289 1.00 0.00 N ATOM 19 CA ASN A 14 7.579 -16.903 12.452 1.00 0.00 C ATOM 20 C ASN A 14 6.979 -16.179 13.663 1.00 0.00 C ATOM 21 O ASN A 14 6.151 -16.759 14.358 1.00 0.00 O ATOM 22 CB ASN A 14 8.854 -17.644 12.796 1.00 0.00 C ATOM 23 CG ASN A 14 9.010 -18.966 12.051 1.00 0.00 C ATOM 24 OD1 ASN A 14 8.867 -19.079 10.849 1.00 0.00 O ATOM 25 ND2 ASN A 14 9.432 -20.058 12.686 1.00 0.00 N ATOM 0 H ASN A 14 8.847 -15.783 11.232 1.00 0.00 H new ATOM 0 HA ASN A 14 6.766 -17.578 12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.708 -17.006 12.570 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.875 -17.836 13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.613 -20.915 12.163 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.575 -20.038 13.696 1.00 0.00 H new ATOM 32 N ALA A 15 7.149 -14.874 13.808 1.00 0.00 N ATOM 33 CA ALA A 15 6.562 -13.945 14.761 1.00 0.00 C ATOM 34 C ALA A 15 5.256 -13.353 14.242 1.00 0.00 C ATOM 35 O ALA A 15 4.918 -13.418 13.065 1.00 0.00 O ATOM 36 CB ALA A 15 7.576 -12.853 15.073 1.00 0.00 C ATOM 0 H ALA A 15 7.783 -14.380 13.180 1.00 0.00 H new ATOM 0 HA ALA A 15 6.316 -14.485 15.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.146 -12.151 15.787 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.473 -13.301 15.500 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.836 -12.325 14.156 1.00 0.00 H new ATOM 42 N GLU A 16 4.556 -12.634 15.128 1.00 0.00 N ATOM 43 CA GLU A 16 3.556 -11.631 14.819 1.00 0.00 C ATOM 44 C GLU A 16 4.135 -10.292 14.439 1.00 0.00 C ATOM 45 O GLU A 16 3.539 -9.446 13.759 1.00 0.00 O ATOM 46 CB GLU A 16 2.704 -11.556 16.089 1.00 0.00 C ATOM 47 CG GLU A 16 1.331 -10.978 15.802 1.00 0.00 C ATOM 48 CD GLU A 16 0.540 -10.695 17.070 1.00 0.00 C ATOM 49 OE1 GLU A 16 0.799 -9.693 17.762 1.00 0.00 O ATOM 50 OE2 GLU A 16 -0.381 -11.505 17.355 1.00 0.00 O ATOM 0 H GLU A 16 4.687 -12.751 16.133 1.00 0.00 H new ATOM 0 HA GLU A 16 2.978 -11.905 13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.598 -12.553 16.517 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.211 -10.941 16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.441 -10.055 15.233 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.771 -11.673 15.176 1.00 0.00 H new ATOM 57 N LEU A 17 5.370 -10.072 14.904 1.00 0.00 N ATOM 58 CA LEU A 17 6.106 -8.866 14.576 1.00 0.00 C ATOM 59 C LEU A 17 7.013 -8.901 13.350 1.00 0.00 C ATOM 60 O LEU A 17 7.453 -9.957 12.885 1.00 0.00 O ATOM 61 CB LEU A 17 6.960 -8.607 15.818 1.00 0.00 C ATOM 62 CG LEU A 17 6.238 -7.844 16.924 1.00 0.00 C ATOM 63 CD1 LEU A 17 6.122 -6.357 16.573 1.00 0.00 C ATOM 64 CD2 LEU A 17 4.855 -8.352 17.280 1.00 0.00 C ATOM 0 H LEU A 17 5.874 -10.720 15.509 1.00 0.00 H new ATOM 0 HA LEU A 17 5.381 -8.096 14.312 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.303 -9.562 16.215 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.848 -8.046 15.525 1.00 0.00 H new ATOM 0 HG LEU A 17 6.865 -8.009 17.800 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.604 -5.833 17.376 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.119 -5.934 16.448 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.561 -6.245 15.645 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.435 -7.737 18.076 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.211 -8.299 16.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.923 -9.386 17.618 1.00 0.00 H new ATOM 76 N GLU A 18 7.259 -7.709 12.803 1.00 0.00 N ATOM 77 CA GLU A 18 8.182 -7.476 11.721 1.00 0.00 C ATOM 78 C GLU A 18 9.033 -6.226 11.879 1.00 0.00 C ATOM 79 O GLU A 18 8.485 -5.140 12.105 1.00 0.00 O ATOM 80 CB GLU A 18 7.447 -7.564 10.386 1.00 0.00 C ATOM 81 CG GLU A 18 8.461 -7.578 9.251 1.00 0.00 C ATOM 82 CD GLU A 18 9.467 -8.733 9.349 1.00 0.00 C ATOM 83 OE1 GLU A 18 9.087 -9.888 9.068 1.00 0.00 O ATOM 84 OE2 GLU A 18 10.633 -8.410 9.644 1.00 0.00 O ATOM 0 H GLU A 18 6.798 -6.857 13.122 1.00 0.00 H new ATOM 0 HA GLU A 18 8.925 -8.273 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.836 -8.466 10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.771 -6.716 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.931 -7.647 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.003 -6.633 9.246 1.00 0.00 H new ATOM 91 N ILE A 19 10.349 -6.270 11.645 1.00 0.00 N ATOM 92 CA ILE A 19 11.124 -5.048 11.625 1.00 0.00 C ATOM 93 C ILE A 19 11.707 -4.718 10.257 1.00 0.00 C ATOM 94 O ILE A 19 12.447 -3.752 10.106 1.00 0.00 O ATOM 95 CB ILE A 19 12.336 -5.222 12.550 1.00 0.00 C ATOM 96 CG1 ILE A 19 13.315 -6.355 12.319 1.00 0.00 C ATOM 97 CG2 ILE A 19 11.811 -5.380 13.977 1.00 0.00 C ATOM 98 CD1 ILE A 19 14.563 -6.453 13.189 1.00 0.00 C ATOM 0 H ILE A 19 10.880 -7.123 11.472 1.00 0.00 H new ATOM 0 HA ILE A 19 10.441 -4.254 11.927 1.00 0.00 H new ATOM 0 HB ILE A 19 12.925 -4.330 12.335 1.00 0.00 H new ATOM 0 HG12 ILE A 19 12.765 -7.290 12.428 1.00 0.00 H new ATOM 0 HG13 ILE A 19 13.643 -6.298 11.281 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.650 -5.506 14.661 1.00 0.00 H new ATOM 0 HG22 ILE A 19 11.245 -4.492 14.257 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.163 -6.255 14.032 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.150 -7.321 12.887 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.162 -5.550 13.069 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.271 -6.558 14.234 1.00 0.00 H new ATOM 110 N VAL A 20 11.424 -5.489 9.197 1.00 0.00 N ATOM 111 CA VAL A 20 11.942 -5.275 7.856 1.00 0.00 C ATOM 112 C VAL A 20 10.889 -4.550 7.037 1.00 0.00 C ATOM 113 O VAL A 20 11.203 -3.524 6.439 1.00 0.00 O ATOM 114 CB VAL A 20 12.279 -6.646 7.256 1.00 0.00 C ATOM 115 CG1 VAL A 20 12.374 -6.716 5.738 1.00 0.00 C ATOM 116 CG2 VAL A 20 13.610 -7.105 7.828 1.00 0.00 C ATOM 0 H VAL A 20 10.809 -6.300 9.261 1.00 0.00 H new ATOM 0 HA VAL A 20 12.844 -4.663 7.865 1.00 0.00 H new ATOM 0 HB VAL A 20 11.438 -7.285 7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.617 -7.735 5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.419 -6.425 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.154 -6.038 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.868 -8.079 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.385 -6.384 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.533 -7.181 8.913 1.00 0.00 H new ATOM 126 N THR A 21 9.671 -5.103 6.895 1.00 0.00 N ATOM 127 CA THR A 21 8.834 -4.908 5.721 1.00 0.00 C ATOM 128 C THR A 21 8.268 -3.500 5.587 1.00 0.00 C ATOM 129 O THR A 21 8.141 -3.100 4.436 1.00 0.00 O ATOM 130 CB THR A 21 7.693 -5.903 5.606 1.00 0.00 C ATOM 131 OG1 THR A 21 6.946 -5.906 6.805 1.00 0.00 O ATOM 132 CG2 THR A 21 8.038 -7.387 5.472 1.00 0.00 C ATOM 0 H THR A 21 9.246 -5.701 7.604 1.00 0.00 H new ATOM 0 HA THR A 21 9.532 -5.080 4.902 1.00 0.00 H new ATOM 0 HB THR A 21 7.205 -5.558 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.209 -6.547 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.119 -7.969 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.637 -7.542 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.604 -7.709 6.346 1.00 0.00 H new ATOM 140 N ASP A 22 7.966 -2.775 6.668 1.00 0.00 N ATOM 141 CA ASP A 22 7.283 -1.507 6.828 1.00 0.00 C ATOM 142 C ASP A 22 5.857 -1.700 6.345 1.00 0.00 C ATOM 143 O ASP A 22 5.094 -0.725 6.406 1.00 0.00 O ATOM 144 CB ASP A 22 8.121 -0.334 6.341 1.00 0.00 C ATOM 145 CG ASP A 22 8.062 0.957 7.139 1.00 0.00 C ATOM 146 OD1 ASP A 22 8.008 0.880 8.386 1.00 0.00 O ATOM 147 OD2 ASP A 22 7.844 2.012 6.519 1.00 0.00 O ATOM 0 H ASP A 22 8.242 -3.129 7.584 1.00 0.00 H new ATOM 0 HA ASP A 22 7.169 -1.187 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.161 -0.658 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.820 -0.109 5.318 1.00 0.00 H new ATOM 152 N TYR A 23 5.406 -2.939 6.120 1.00 0.00 N ATOM 153 CA TYR A 23 4.039 -3.352 5.859 1.00 0.00 C ATOM 154 C TYR A 23 3.315 -3.949 7.039 1.00 0.00 C ATOM 155 O TYR A 23 2.872 -5.096 7.004 1.00 0.00 O ATOM 156 CB TYR A 23 4.138 -4.230 4.612 1.00 0.00 C ATOM 157 CG TYR A 23 2.814 -4.614 4.008 1.00 0.00 C ATOM 158 CD1 TYR A 23 2.329 -3.720 3.026 1.00 0.00 C ATOM 159 CD2 TYR A 23 2.184 -5.839 4.263 1.00 0.00 C ATOM 160 CE1 TYR A 23 1.232 -4.142 2.272 1.00 0.00 C ATOM 161 CE2 TYR A 23 1.001 -6.153 3.588 1.00 0.00 C ATOM 162 CZ TYR A 23 0.527 -5.321 2.571 1.00 0.00 C ATOM 163 OH TYR A 23 -0.654 -5.583 1.929 1.00 0.00 O ATOM 0 H TYR A 23 6.044 -3.735 6.117 1.00 0.00 H new ATOM 0 HA TYR A 23 3.385 -2.499 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.727 -3.705 3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.684 -5.139 4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.786 -2.755 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.608 -6.533 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.915 -3.543 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.451 -7.043 3.854 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.531 -6.333 1.310 1.00 0.00 H new ATOM 173 N TYR A 24 3.366 -3.119 8.089 1.00 0.00 N ATOM 174 CA TYR A 24 2.814 -3.424 9.391 1.00 0.00 C ATOM 175 C TYR A 24 1.341 -3.062 9.464 1.00 0.00 C ATOM 176 O TYR A 24 0.644 -2.973 8.460 1.00 0.00 O ATOM 177 CB TYR A 24 3.679 -2.735 10.451 1.00 0.00 C ATOM 178 CG TYR A 24 5.175 -2.837 10.361 1.00 0.00 C ATOM 179 CD1 TYR A 24 5.811 -3.966 9.813 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.987 -1.782 10.784 1.00 0.00 C ATOM 181 CE1 TYR A 24 7.179 -4.015 9.517 1.00 0.00 C ATOM 182 CE2 TYR A 24 7.358 -1.846 10.574 1.00 0.00 C ATOM 183 CZ TYR A 24 7.977 -2.903 9.868 1.00 0.00 C ATOM 184 OH TYR A 24 9.300 -2.813 9.531 1.00 0.00 O ATOM 0 H TYR A 24 3.805 -2.199 8.043 1.00 0.00 H new ATOM 0 HA TYR A 24 2.842 -4.497 9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.422 -1.676 10.445 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.382 -3.129 11.423 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.212 -4.842 9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.551 -0.922 11.271 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.612 -4.879 9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.978 -1.054 10.967 1.00 0.00 H new ATOM 0 HH TYR A 24 9.666 -1.968 9.866 1.00 0.00 H new ATOM 194 N LYS A 25 0.746 -2.940 10.667 1.00 0.00 N ATOM 195 CA LYS A 25 -0.673 -2.832 10.914 1.00 0.00 C ATOM 196 C LYS A 25 -1.308 -1.554 10.389 1.00 0.00 C ATOM 197 O LYS A 25 -2.527 -1.416 10.417 1.00 0.00 O ATOM 198 CB LYS A 25 -0.972 -3.046 12.396 1.00 0.00 C ATOM 199 CG LYS A 25 -0.736 -4.484 12.821 1.00 0.00 C ATOM 200 CD LYS A 25 -1.232 -4.673 14.257 1.00 0.00 C ATOM 201 CE LYS A 25 -0.915 -6.034 14.870 1.00 0.00 C ATOM 202 NZ LYS A 25 -0.998 -6.027 16.330 1.00 0.00 N ATOM 0 H LYS A 25 1.289 -2.915 11.530 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.143 -3.628 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.344 -2.384 12.992 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.007 -2.773 12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.260 -5.165 12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.325 -4.726 12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.792 -3.897 14.883 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.312 -4.524 14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.608 -6.777 14.474 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.087 -6.340 14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.774 -6.975 16.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.319 -5.339 16.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.961 -5.762 16.622 1.00 0.00 H new ATOM 216 N ILE A 26 -0.543 -0.636 9.793 1.00 0.00 N ATOM 217 CA ILE A 26 -1.081 0.377 8.912 1.00 0.00 C ATOM 218 C ILE A 26 -1.886 -0.151 7.722 1.00 0.00 C ATOM 219 O ILE A 26 -2.840 0.471 7.284 1.00 0.00 O ATOM 220 CB ILE A 26 0.061 1.281 8.487 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.304 0.620 7.922 1.00 0.00 C ATOM 222 CG2 ILE A 26 0.441 2.234 9.618 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.165 1.278 6.861 1.00 0.00 C ATOM 0 H ILE A 26 0.468 -0.583 9.915 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.829 0.938 9.472 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.354 1.817 7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.958 0.410 8.768 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.989 -0.341 7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.262 2.874 9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.419 2.851 9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.752 1.658 10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.998 0.622 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.566 1.461 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.550 2.224 7.240 1.00 0.00 H new ATOM 235 N ILE A 27 -1.602 -1.363 7.241 1.00 0.00 N ATOM 236 CA ILE A 27 -2.185 -1.940 6.056 1.00 0.00 C ATOM 237 C ILE A 27 -2.464 -3.419 6.284 1.00 0.00 C ATOM 238 O ILE A 27 -3.477 -3.919 5.805 1.00 0.00 O ATOM 239 CB ILE A 27 -1.477 -1.499 4.771 1.00 0.00 C ATOM 240 CG1 ILE A 27 -2.122 -2.107 3.536 1.00 0.00 C ATOM 241 CG2 ILE A 27 0.015 -1.846 4.781 1.00 0.00 C ATOM 242 CD1 ILE A 27 -3.504 -1.541 3.209 1.00 0.00 C ATOM 0 H ILE A 27 -0.931 -1.984 7.694 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.176 -1.529 5.863 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.581 -0.415 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.465 -1.948 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.207 -3.184 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.472 -1.513 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.499 -1.347 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.137 -2.925 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.894 -2.027 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.179 -1.723 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.426 -0.468 3.034 1.00 0.00 H new ATOM 254 N LYS A 28 -1.708 -4.196 7.048 1.00 0.00 N ATOM 255 CA LYS A 28 -1.774 -5.639 7.017 1.00 0.00 C ATOM 256 C LYS A 28 -3.060 -6.186 7.629 1.00 0.00 C ATOM 257 O LYS A 28 -3.842 -6.922 7.032 1.00 0.00 O ATOM 258 CB LYS A 28 -0.501 -6.257 7.588 1.00 0.00 C ATOM 259 CG LYS A 28 -0.484 -7.748 7.280 1.00 0.00 C ATOM 260 CD LYS A 28 0.893 -8.321 7.652 1.00 0.00 C ATOM 261 CE LYS A 28 0.880 -9.820 7.374 1.00 0.00 C ATOM 262 NZ LYS A 28 2.026 -10.631 7.808 1.00 0.00 N ATOM 0 H LYS A 28 -1.026 -3.831 7.712 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.822 -5.947 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.376 -5.775 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.456 -6.096 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.268 -8.257 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.688 -7.916 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.676 -7.834 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.111 -8.132 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.013 -10.234 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.769 -9.955 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.866 -11.625 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.891 -10.286 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.133 -10.557 8.840 1.00 0.00 H new ATOM 276 N THR A 29 -3.377 -5.694 8.827 1.00 0.00 N ATOM 277 CA THR A 29 -4.561 -5.955 9.613 1.00 0.00 C ATOM 278 C THR A 29 -5.740 -5.413 8.822 1.00 0.00 C ATOM 279 O THR A 29 -6.770 -6.072 8.703 1.00 0.00 O ATOM 280 CB THR A 29 -4.519 -5.306 10.992 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.818 -4.087 10.866 1.00 0.00 O ATOM 282 CG2 THR A 29 -3.768 -6.211 11.966 1.00 0.00 C ATOM 0 H THR A 29 -2.750 -5.047 9.305 1.00 0.00 H new ATOM 0 HA THR A 29 -4.640 -7.027 9.791 1.00 0.00 H new ATOM 0 HB THR A 29 -5.530 -5.143 11.366 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.911 -3.569 11.693 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.741 -5.743 12.950 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.277 -7.172 12.035 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.750 -6.364 11.609 1.00 0.00 H new ATOM 290 N ALA A 30 -5.557 -4.254 8.189 1.00 0.00 N ATOM 291 CA ALA A 30 -6.548 -3.475 7.476 1.00 0.00 C ATOM 292 C ALA A 30 -7.208 -4.112 6.246 1.00 0.00 C ATOM 293 O ALA A 30 -8.434 -4.206 6.229 1.00 0.00 O ATOM 294 CB ALA A 30 -6.007 -2.056 7.231 1.00 0.00 C ATOM 0 H ALA A 30 -4.640 -3.809 8.164 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.410 -3.431 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.753 -1.470 6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.790 -1.579 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.094 -2.112 6.638 1.00 0.00 H new ATOM 300 N ARG A 31 -6.413 -4.470 5.249 1.00 0.00 N ATOM 301 CA ARG A 31 -6.867 -5.278 4.142 1.00 0.00 C ATOM 302 C ARG A 31 -7.805 -6.375 4.654 1.00 0.00 C ATOM 303 O ARG A 31 -8.805 -6.644 4.009 1.00 0.00 O ATOM 304 CB ARG A 31 -5.706 -5.754 3.259 1.00 0.00 C ATOM 305 CG ARG A 31 -4.738 -6.682 3.970 1.00 0.00 C ATOM 306 CD ARG A 31 -3.719 -7.394 3.086 1.00 0.00 C ATOM 307 NE ARG A 31 -2.947 -8.392 3.843 1.00 0.00 N ATOM 308 CZ ARG A 31 -1.813 -8.858 3.299 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.339 -8.656 2.062 1.00 0.00 N ATOM 310 NH2 ARG A 31 -0.990 -9.546 4.088 1.00 0.00 N ATOM 0 H ARG A 31 -5.430 -4.203 5.191 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.463 -4.672 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.111 -6.266 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.160 -4.885 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.197 -6.105 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.316 -7.437 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.233 -7.883 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.039 -6.661 2.651 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.265 -8.720 4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.864 -8.082 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.453 -9.076 1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.233 -9.701 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.117 -9.918 3.714 1.00 0.00 H new ATOM 324 N GLU A 32 -7.554 -7.135 5.723 1.00 0.00 N ATOM 325 CA GLU A 32 -8.489 -8.013 6.398 1.00 0.00 C ATOM 326 C GLU A 32 -9.754 -7.381 6.962 1.00 0.00 C ATOM 327 O GLU A 32 -10.793 -7.996 6.727 1.00 0.00 O ATOM 328 CB GLU A 32 -7.714 -8.889 7.373 1.00 0.00 C ATOM 329 CG GLU A 32 -6.952 -9.928 6.554 1.00 0.00 C ATOM 330 CD GLU A 32 -6.341 -11.079 7.339 1.00 0.00 C ATOM 331 OE1 GLU A 32 -6.350 -11.047 8.594 1.00 0.00 O ATOM 332 OE2 GLU A 32 -5.735 -11.923 6.654 1.00 0.00 O ATOM 0 H GLU A 32 -6.633 -7.148 6.161 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.944 -8.640 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.024 -8.287 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.393 -9.376 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.630 -10.343 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.154 -9.420 6.012 1.00 0.00 H new ATOM 339 N GLN A 33 -9.722 -6.268 7.691 1.00 0.00 N ATOM 340 CA GLN A 33 -10.926 -5.688 8.252 1.00 0.00 C ATOM 341 C GLN A 33 -11.810 -5.034 7.188 1.00 0.00 C ATOM 342 O GLN A 33 -12.885 -4.506 7.455 1.00 0.00 O ATOM 343 CB GLN A 33 -10.630 -4.789 9.440 1.00 0.00 C ATOM 344 CG GLN A 33 -10.219 -5.660 10.610 1.00 0.00 C ATOM 345 CD GLN A 33 -10.015 -4.872 11.904 1.00 0.00 C ATOM 346 OE1 GLN A 33 -8.916 -4.803 12.450 1.00 0.00 O ATOM 347 NE2 GLN A 33 -10.927 -4.036 12.417 1.00 0.00 N ATOM 0 H GLN A 33 -8.868 -5.752 7.904 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.521 -6.510 8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.835 -4.085 9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.510 -4.199 9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.981 -6.422 10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.295 -6.181 10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.872 -4.015 12.034 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.676 -3.420 13.191 1.00 0.00 H new ATOM 356 N LEU A 34 -11.462 -4.990 5.907 1.00 0.00 N ATOM 357 CA LEU A 34 -12.187 -4.363 4.818 1.00 0.00 C ATOM 358 C LEU A 34 -12.906 -5.471 4.065 1.00 0.00 C ATOM 359 O LEU A 34 -14.022 -5.286 3.583 1.00 0.00 O ATOM 360 CB LEU A 34 -11.235 -3.590 3.912 1.00 0.00 C ATOM 361 CG LEU A 34 -10.559 -2.289 4.324 1.00 0.00 C ATOM 362 CD1 LEU A 34 -9.497 -1.814 3.358 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.640 -1.221 4.566 1.00 0.00 C ATOM 0 H LEU A 34 -10.599 -5.426 5.582 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.909 -3.638 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.435 -4.281 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.788 -3.373 2.998 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.013 -2.478 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.064 -0.883 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.716 -2.570 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.945 -1.647 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.167 -0.285 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.210 -1.066 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.310 -1.555 5.358 1.00 0.00 H new ATOM 375 N GLY A 35 -12.436 -6.716 4.183 1.00 0.00 N ATOM 376 CA GLY A 35 -12.929 -7.889 3.486 1.00 0.00 C ATOM 377 C GLY A 35 -12.777 -7.872 1.973 1.00 0.00 C ATOM 378 O GLY A 35 -13.088 -8.785 1.216 1.00 0.00 O ATOM 0 H GLY A 35 -11.658 -6.936 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.409 -8.765 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.985 -8.013 3.725 1.00 0.00 H new ATOM 382 N ILE A 36 -12.444 -6.681 1.458 1.00 0.00 N ATOM 383 CA ILE A 36 -12.320 -6.427 0.027 1.00 0.00 C ATOM 384 C ILE A 36 -11.213 -7.116 -0.753 1.00 0.00 C ATOM 385 O ILE A 36 -10.246 -7.602 -0.187 1.00 0.00 O ATOM 386 CB ILE A 36 -12.285 -4.931 -0.264 1.00 0.00 C ATOM 387 CG1 ILE A 36 -11.051 -4.150 0.204 1.00 0.00 C ATOM 388 CG2 ILE A 36 -13.569 -4.180 0.089 1.00 0.00 C ATOM 389 CD1 ILE A 36 -10.854 -2.711 -0.265 1.00 0.00 C ATOM 0 H ILE A 36 -12.252 -5.862 2.034 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.224 -6.907 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.198 -4.960 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.064 -4.140 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.171 -4.717 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.451 -3.124 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.400 -4.592 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.773 -4.288 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.933 -2.312 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.791 -2.688 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.698 -2.103 0.062 1.00 0.00 H new ATOM 401 N SER A 37 -11.236 -7.191 -2.085 1.00 0.00 N ATOM 402 CA SER A 37 -10.228 -7.733 -2.989 1.00 0.00 C ATOM 403 C SER A 37 -9.000 -6.884 -3.270 1.00 0.00 C ATOM 404 O SER A 37 -9.031 -5.666 -3.033 1.00 0.00 O ATOM 405 CB SER A 37 -10.927 -8.141 -4.287 1.00 0.00 C ATOM 406 OG SER A 37 -11.242 -7.055 -5.127 1.00 0.00 O ATOM 0 H SER A 37 -12.040 -6.839 -2.605 1.00 0.00 H new ATOM 0 HA SER A 37 -9.794 -8.581 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.287 -8.836 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.844 -8.677 -4.042 1.00 0.00 H new ATOM 0 HG SER A 37 -11.684 -7.385 -5.937 1.00 0.00 H new ATOM 412 N GLN A 38 -7.988 -7.423 -3.958 1.00 0.00 N ATOM 413 CA GLN A 38 -6.875 -6.664 -4.484 1.00 0.00 C ATOM 414 C GLN A 38 -7.337 -5.801 -5.650 1.00 0.00 C ATOM 415 O GLN A 38 -6.674 -4.834 -5.995 1.00 0.00 O ATOM 416 CB GLN A 38 -5.573 -7.437 -4.680 1.00 0.00 C ATOM 417 CG GLN A 38 -5.152 -8.120 -3.377 1.00 0.00 C ATOM 418 CD GLN A 38 -5.876 -9.393 -2.975 1.00 0.00 C ATOM 419 OE1 GLN A 38 -6.549 -9.478 -1.947 1.00 0.00 O ATOM 420 NE2 GLN A 38 -6.002 -10.418 -3.818 1.00 0.00 N ATOM 0 H GLN A 38 -7.929 -8.420 -4.163 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.550 -5.979 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.701 -8.184 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.787 -6.759 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.089 -8.348 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.270 -7.399 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.479 -10.426 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.622 -11.195 -3.588 1.00 0.00 H new ATOM 429 N GLN A 39 -8.416 -6.160 -6.339 1.00 0.00 N ATOM 430 CA GLN A 39 -8.907 -5.310 -7.404 1.00 0.00 C ATOM 431 C GLN A 39 -9.547 -4.096 -6.758 1.00 0.00 C ATOM 432 O GLN A 39 -9.340 -2.967 -7.206 1.00 0.00 O ATOM 433 CB GLN A 39 -9.837 -6.070 -8.344 1.00 0.00 C ATOM 434 CG GLN A 39 -9.039 -7.015 -9.255 1.00 0.00 C ATOM 435 CD GLN A 39 -9.865 -8.002 -10.062 1.00 0.00 C ATOM 436 OE1 GLN A 39 -11.023 -8.279 -9.723 1.00 0.00 O ATOM 437 NE2 GLN A 39 -9.232 -8.673 -11.030 1.00 0.00 N ATOM 0 H GLN A 39 -8.952 -7.013 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.092 -4.975 -8.045 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.560 -6.642 -7.763 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.403 -5.364 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.449 -6.412 -9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.335 -7.575 -8.640 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.278 -8.420 -11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.704 -9.438 -11.513 1.00 0.00 H new ATOM 446 N GLN A 40 -10.247 -4.214 -5.614 1.00 0.00 N ATOM 447 CA GLN A 40 -10.853 -3.081 -4.964 1.00 0.00 C ATOM 448 C GLN A 40 -9.860 -2.203 -4.195 1.00 0.00 C ATOM 449 O GLN A 40 -9.912 -0.979 -4.222 1.00 0.00 O ATOM 450 CB GLN A 40 -11.937 -3.619 -4.056 1.00 0.00 C ATOM 451 CG GLN A 40 -13.060 -4.377 -4.752 1.00 0.00 C ATOM 452 CD GLN A 40 -13.882 -5.148 -3.715 1.00 0.00 C ATOM 453 OE1 GLN A 40 -13.668 -6.312 -3.423 1.00 0.00 O ATOM 454 NE2 GLN A 40 -14.830 -4.521 -3.017 1.00 0.00 N ATOM 0 H GLN A 40 -10.397 -5.100 -5.132 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.264 -2.416 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.477 -4.280 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.372 -2.785 -3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.701 -3.681 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.645 -5.067 -5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.051 -3.546 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.334 -5.017 -2.282 1.00 0.00 H new ATOM 463 N LEU A 41 -8.789 -2.783 -3.626 1.00 0.00 N ATOM 464 CA LEU A 41 -7.727 -2.207 -2.835 1.00 0.00 C ATOM 465 C LEU A 41 -6.806 -1.391 -3.729 1.00 0.00 C ATOM 466 O LEU A 41 -6.293 -0.408 -3.193 1.00 0.00 O ATOM 467 CB LEU A 41 -7.038 -3.387 -2.153 1.00 0.00 C ATOM 468 CG LEU A 41 -6.104 -3.105 -0.979 1.00 0.00 C ATOM 469 CD1 LEU A 41 -6.795 -2.693 0.318 1.00 0.00 C ATOM 470 CD2 LEU A 41 -5.404 -4.455 -0.813 1.00 0.00 C ATOM 0 H LEU A 41 -8.646 -3.787 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.081 -1.508 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.814 -4.067 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.465 -3.920 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.455 -2.253 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.045 -2.516 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.367 -1.780 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.467 -3.488 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.692 -4.397 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.145 -5.225 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.876 -4.706 -1.733 1.00 0.00 H new ATOM 482 N ALA A 42 -6.521 -1.774 -4.968 1.00 0.00 N ATOM 483 CA ALA A 42 -5.730 -0.984 -5.882 1.00 0.00 C ATOM 484 C ALA A 42 -6.324 0.397 -6.139 1.00 0.00 C ATOM 485 O ALA A 42 -5.591 1.347 -6.389 1.00 0.00 O ATOM 486 CB ALA A 42 -5.518 -1.807 -7.156 1.00 0.00 C ATOM 0 H ALA A 42 -6.842 -2.657 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.760 -0.767 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.922 -1.233 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.997 -2.732 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.484 -2.043 -7.602 1.00 0.00 H new ATOM 492 N GLN A 43 -7.661 0.498 -6.149 1.00 0.00 N ATOM 493 CA GLN A 43 -8.420 1.731 -6.130 1.00 0.00 C ATOM 494 C GLN A 43 -8.152 2.554 -4.881 1.00 0.00 C ATOM 495 O GLN A 43 -8.019 3.775 -4.992 1.00 0.00 O ATOM 496 CB GLN A 43 -9.898 1.425 -6.328 1.00 0.00 C ATOM 497 CG GLN A 43 -10.229 0.518 -7.516 1.00 0.00 C ATOM 498 CD GLN A 43 -11.680 0.158 -7.775 1.00 0.00 C ATOM 499 OE1 GLN A 43 -12.610 0.909 -7.529 1.00 0.00 O ATOM 500 NE2 GLN A 43 -11.915 -1.123 -8.060 1.00 0.00 N ATOM 0 H GLN A 43 -8.261 -0.327 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.089 2.356 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.280 0.959 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.433 2.367 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.841 0.997 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.676 -0.412 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.138 -1.751 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.872 -1.475 -8.072 1.00 0.00 H new ATOM 509 N LYS A 44 -8.236 1.922 -3.716 1.00 0.00 N ATOM 510 CA LYS A 44 -8.134 2.691 -2.486 1.00 0.00 C ATOM 511 C LYS A 44 -6.743 3.234 -2.208 1.00 0.00 C ATOM 512 O LYS A 44 -6.588 4.194 -1.448 1.00 0.00 O ATOM 513 CB LYS A 44 -8.432 1.787 -1.304 1.00 0.00 C ATOM 514 CG LYS A 44 -9.895 1.502 -0.970 1.00 0.00 C ATOM 515 CD LYS A 44 -10.879 2.663 -1.138 1.00 0.00 C ATOM 516 CE LYS A 44 -12.213 2.239 -0.507 1.00 0.00 C ATOM 517 NZ LYS A 44 -13.278 3.217 -0.772 1.00 0.00 N ATOM 0 H LYS A 44 -8.369 0.918 -3.599 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.834 3.517 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.938 0.832 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.968 2.227 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.232 0.677 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.947 1.159 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.496 3.562 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.013 2.901 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.508 1.266 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.085 2.123 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.205 2.769 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.177 4.024 -0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.207 3.550 -1.755 1.00 0.00 H new ATOM 531 N LEU A 45 -5.715 2.657 -2.846 1.00 0.00 N ATOM 532 CA LEU A 45 -4.335 2.955 -2.496 1.00 0.00 C ATOM 533 C LEU A 45 -3.659 3.917 -3.452 1.00 0.00 C ATOM 534 O LEU A 45 -2.542 4.331 -3.173 1.00 0.00 O ATOM 535 CB LEU A 45 -3.522 1.686 -2.227 1.00 0.00 C ATOM 536 CG LEU A 45 -3.976 0.840 -1.043 1.00 0.00 C ATOM 537 CD1 LEU A 45 -3.238 -0.486 -0.937 1.00 0.00 C ATOM 538 CD2 LEU A 45 -3.886 1.545 0.315 1.00 0.00 C ATOM 0 H LEU A 45 -5.821 1.984 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.374 3.497 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.548 1.065 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.482 1.972 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.028 0.661 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.608 -1.040 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.406 -1.069 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.171 -0.300 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.229 0.870 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.852 1.831 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.513 2.436 0.304 1.00 0.00 H new ATOM 550 N LYS A 46 -4.309 4.218 -4.585 1.00 0.00 N ATOM 551 CA LYS A 46 -3.745 4.830 -5.774 1.00 0.00 C ATOM 552 C LYS A 46 -2.643 4.064 -6.492 1.00 0.00 C ATOM 553 O LYS A 46 -2.464 4.289 -7.695 1.00 0.00 O ATOM 554 CB LYS A 46 -3.479 6.323 -5.594 1.00 0.00 C ATOM 555 CG LYS A 46 -4.704 7.187 -5.333 1.00 0.00 C ATOM 556 CD LYS A 46 -5.214 7.139 -3.893 1.00 0.00 C ATOM 557 CE LYS A 46 -6.080 8.362 -3.597 1.00 0.00 C ATOM 558 NZ LYS A 46 -6.211 8.411 -2.136 1.00 0.00 N ATOM 0 H LYS A 46 -5.305 4.024 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.548 4.747 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.784 6.452 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.980 6.694 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.466 8.220 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.506 6.871 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.792 6.229 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.371 7.106 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.617 9.272 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.056 8.276 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.962 9.083 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.454 7.465 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.311 8.720 -1.717 1.00 0.00 H new ATOM 572 N VAL A 47 -2.047 3.078 -5.814 1.00 0.00 N ATOM 573 CA VAL A 47 -0.959 2.265 -6.323 1.00 0.00 C ATOM 574 C VAL A 47 -1.415 0.866 -6.728 1.00 0.00 C ATOM 575 O VAL A 47 -2.490 0.374 -6.425 1.00 0.00 O ATOM 576 CB VAL A 47 0.100 1.964 -5.272 1.00 0.00 C ATOM 577 CG1 VAL A 47 0.667 3.231 -4.654 1.00 0.00 C ATOM 578 CG2 VAL A 47 -0.301 0.991 -4.151 1.00 0.00 C ATOM 0 H VAL A 47 -2.324 2.823 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.580 2.859 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 47 0.861 1.444 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.419 2.968 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.125 3.842 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.135 3.793 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.537 0.859 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.154 1.396 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.571 0.028 -4.584 1.00 0.00 H new ATOM 588 N SER A 48 -0.560 0.150 -7.466 1.00 0.00 N ATOM 589 CA SER A 48 -0.880 -1.186 -7.896 1.00 0.00 C ATOM 590 C SER A 48 -0.820 -2.270 -6.827 1.00 0.00 C ATOM 591 O SER A 48 -0.111 -2.139 -5.822 1.00 0.00 O ATOM 592 CB SER A 48 0.130 -1.547 -8.969 1.00 0.00 C ATOM 593 OG SER A 48 1.466 -1.414 -8.550 1.00 0.00 O ATOM 0 H SER A 48 0.354 0.486 -7.770 1.00 0.00 H new ATOM 0 HA SER A 48 -1.919 -1.162 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.042 -2.575 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.034 -0.912 -9.840 1.00 0.00 H new ATOM 0 HG SER A 48 2.065 -1.662 -9.284 1.00 0.00 H new ATOM 599 N GLU A 49 -1.363 -3.466 -7.078 1.00 0.00 N ATOM 600 CA GLU A 49 -1.232 -4.549 -6.118 1.00 0.00 C ATOM 601 C GLU A 49 0.235 -5.006 -6.127 1.00 0.00 C ATOM 602 O GLU A 49 0.656 -5.671 -5.194 1.00 0.00 O ATOM 603 CB GLU A 49 -2.264 -5.645 -6.346 1.00 0.00 C ATOM 604 CG GLU A 49 -2.061 -6.311 -7.699 1.00 0.00 C ATOM 605 CD GLU A 49 -3.093 -7.423 -7.854 1.00 0.00 C ATOM 606 OE1 GLU A 49 -2.879 -8.535 -7.339 1.00 0.00 O ATOM 607 OE2 GLU A 49 -4.122 -7.221 -8.508 1.00 0.00 O ATOM 0 H GLU A 49 -1.886 -3.699 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.463 -4.212 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.189 -6.391 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.267 -5.222 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.169 -5.580 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.053 -6.718 -7.773 1.00 0.00 H new ATOM 614 N ASN A 50 0.985 -4.776 -7.201 1.00 0.00 N ATOM 615 CA ASN A 50 2.419 -4.996 -7.286 1.00 0.00 C ATOM 616 C ASN A 50 3.160 -4.097 -6.311 1.00 0.00 C ATOM 617 O ASN A 50 4.173 -4.546 -5.778 1.00 0.00 O ATOM 618 CB ASN A 50 2.991 -4.989 -8.694 1.00 0.00 C ATOM 619 CG ASN A 50 4.458 -5.395 -8.683 1.00 0.00 C ATOM 620 OD1 ASN A 50 4.794 -6.546 -8.432 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.277 -4.440 -9.140 1.00 0.00 N ATOM 0 H ASN A 50 0.590 -4.416 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 50 2.588 -6.027 -6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.424 -5.674 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.887 -3.995 -9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.262 -4.648 -9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.916 -3.504 -9.324 1.00 0.00 H new ATOM 628 N ILE A 51 2.834 -2.844 -6.004 1.00 0.00 N ATOM 629 CA ILE A 51 3.522 -2.157 -4.927 1.00 0.00 C ATOM 630 C ILE A 51 3.158 -2.768 -3.585 1.00 0.00 C ATOM 631 O ILE A 51 3.945 -2.814 -2.646 1.00 0.00 O ATOM 632 CB ILE A 51 3.184 -0.676 -5.027 1.00 0.00 C ATOM 633 CG1 ILE A 51 3.838 -0.019 -6.245 1.00 0.00 C ATOM 634 CG2 ILE A 51 3.623 0.138 -3.822 1.00 0.00 C ATOM 635 CD1 ILE A 51 5.306 0.395 -6.086 1.00 0.00 C ATOM 0 H ILE A 51 2.114 -2.298 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 51 4.603 -2.269 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 51 2.097 -0.667 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.766 -0.709 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.259 0.866 -6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.347 1.182 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.133 -0.245 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.704 0.061 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.659 0.848 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.395 1.115 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.909 -0.484 -5.859 1.00 0.00 H new ATOM 647 N VAL A 52 1.870 -3.092 -3.469 1.00 0.00 N ATOM 648 CA VAL A 52 1.311 -3.715 -2.288 1.00 0.00 C ATOM 649 C VAL A 52 2.064 -4.986 -1.926 1.00 0.00 C ATOM 650 O VAL A 52 2.473 -5.126 -0.770 1.00 0.00 O ATOM 651 CB VAL A 52 -0.198 -3.862 -2.364 1.00 0.00 C ATOM 652 CG1 VAL A 52 -0.789 -4.790 -1.298 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.861 -2.488 -2.271 1.00 0.00 C ATOM 0 H VAL A 52 1.185 -2.924 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 52 1.462 -3.041 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.406 -4.328 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.871 -4.842 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.363 -5.787 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.554 -4.402 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.944 -2.602 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.593 -2.018 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.519 -1.863 -3.096 1.00 0.00 H new ATOM 663 N LYS A 53 2.381 -5.874 -2.865 1.00 0.00 N ATOM 664 CA LYS A 53 3.269 -7.035 -2.770 1.00 0.00 C ATOM 665 C LYS A 53 4.629 -6.493 -2.370 1.00 0.00 C ATOM 666 O LYS A 53 5.149 -7.069 -1.404 1.00 0.00 O ATOM 667 CB LYS A 53 3.437 -7.750 -4.105 1.00 0.00 C ATOM 668 CG LYS A 53 2.153 -8.571 -4.256 1.00 0.00 C ATOM 669 CD LYS A 53 2.278 -9.226 -5.635 1.00 0.00 C ATOM 670 CE LYS A 53 1.050 -10.016 -6.074 1.00 0.00 C ATOM 671 NZ LYS A 53 0.675 -11.028 -5.088 1.00 0.00 N ATOM 0 H LYS A 53 1.986 -5.793 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 53 2.850 -7.748 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.555 -7.041 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.320 -8.389 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.065 -9.319 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.268 -7.938 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.479 -8.451 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.140 -9.893 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.215 -9.333 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.251 -10.498 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.099 -11.611 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.495 -11.633 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.361 -10.561 -4.213 1.00 0.00 H new ATOM 685 N ARG A 54 5.267 -5.578 -3.119 1.00 0.00 N ATOM 686 CA ARG A 54 6.676 -5.313 -2.962 1.00 0.00 C ATOM 687 C ARG A 54 7.005 -4.992 -1.513 1.00 0.00 C ATOM 688 O ARG A 54 7.975 -5.540 -0.988 1.00 0.00 O ATOM 689 CB ARG A 54 7.204 -4.320 -4.003 1.00 0.00 C ATOM 690 CG ARG A 54 7.589 -5.031 -5.305 1.00 0.00 C ATOM 691 CD ARG A 54 7.890 -4.003 -6.400 1.00 0.00 C ATOM 692 NE ARG A 54 8.224 -4.688 -7.642 1.00 0.00 N ATOM 693 CZ ARG A 54 8.691 -4.170 -8.791 1.00 0.00 C ATOM 694 NH1 ARG A 54 9.087 -2.885 -8.832 1.00 0.00 N ATOM 695 NH2 ARG A 54 8.844 -5.008 -9.827 1.00 0.00 N ATOM 0 H ARG A 54 4.812 -5.016 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 54 7.236 -6.222 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.444 -3.567 -4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.072 -3.796 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.462 -5.662 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.778 -5.686 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.026 -3.356 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.717 -3.363 -6.093 1.00 0.00 H new ATOM 0 HE ARG A 54 8.084 -5.698 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.032 -2.307 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.442 -2.488 -9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.609 -5.995 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.196 -4.658 -10.718 1.00 0.00 H new ATOM 709 N PHE A 55 6.129 -4.238 -0.851 1.00 0.00 N ATOM 710 CA PHE A 55 6.310 -3.944 0.551 1.00 0.00 C ATOM 711 C PHE A 55 6.079 -5.157 1.444 1.00 0.00 C ATOM 712 O PHE A 55 6.923 -5.422 2.294 1.00 0.00 O ATOM 713 CB PHE A 55 5.312 -2.859 0.977 1.00 0.00 C ATOM 714 CG PHE A 55 5.554 -1.375 0.808 1.00 0.00 C ATOM 715 CD1 PHE A 55 5.879 -0.868 -0.454 1.00 0.00 C ATOM 716 CD2 PHE A 55 5.546 -0.414 1.821 1.00 0.00 C ATOM 717 CE1 PHE A 55 6.073 0.467 -0.809 1.00 0.00 C ATOM 718 CE2 PHE A 55 5.710 0.957 1.551 1.00 0.00 C ATOM 719 CZ PHE A 55 5.912 1.396 0.239 1.00 0.00 C ATOM 0 H PHE A 55 5.295 -3.826 -1.269 1.00 0.00 H new ATOM 0 HA PHE A 55 7.343 -3.618 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.382 -3.078 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.124 -3.018 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.993 -1.594 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.410 -0.733 2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.328 0.767 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.680 1.672 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.945 2.454 0.027 1.00 0.00 H new ATOM 729 N GLU A 56 4.979 -5.922 1.359 1.00 0.00 N ATOM 730 CA GLU A 56 4.834 -7.189 2.062 1.00 0.00 C ATOM 731 C GLU A 56 6.004 -8.129 1.830 1.00 0.00 C ATOM 732 O GLU A 56 6.355 -8.830 2.781 1.00 0.00 O ATOM 733 CB GLU A 56 3.532 -7.894 1.663 1.00 0.00 C ATOM 734 CG GLU A 56 3.211 -9.029 2.622 1.00 0.00 C ATOM 735 CD GLU A 56 1.864 -9.695 2.348 1.00 0.00 C ATOM 736 OE1 GLU A 56 1.201 -9.489 1.309 1.00 0.00 O ATOM 737 OE2 GLU A 56 1.558 -10.452 3.285 1.00 0.00 O ATOM 0 H GLU A 56 4.166 -5.670 0.796 1.00 0.00 H new ATOM 0 HA GLU A 56 4.809 -6.942 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.712 -7.176 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.621 -8.284 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.998 -9.780 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.217 -8.645 3.642 1.00 0.00 H new ATOM 744 N SER A 57 6.615 -8.230 0.658 1.00 0.00 N ATOM 745 CA SER A 57 7.708 -9.173 0.509 1.00 0.00 C ATOM 746 C SER A 57 9.106 -8.740 0.943 1.00 0.00 C ATOM 747 O SER A 57 10.082 -9.469 0.773 1.00 0.00 O ATOM 748 CB SER A 57 7.669 -9.665 -0.930 1.00 0.00 C ATOM 749 OG SER A 57 8.041 -8.626 -1.801 1.00 0.00 O ATOM 0 H SER A 57 6.382 -7.690 -0.176 1.00 0.00 H new ATOM 0 HA SER A 57 7.530 -9.966 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.343 -10.513 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.667 -10.017 -1.176 1.00 0.00 H new ATOM 0 HG SER A 57 8.065 -7.779 -1.308 1.00 0.00 H new ATOM 755 N GLY A 58 9.264 -7.560 1.532 1.00 0.00 N ATOM 756 CA GLY A 58 10.463 -7.153 2.257 1.00 0.00 C ATOM 757 C GLY A 58 11.480 -6.473 1.342 1.00 0.00 C ATOM 758 O GLY A 58 12.561 -6.165 1.844 1.00 0.00 O ATOM 0 H GLY A 58 8.542 -6.840 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.187 -6.472 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.920 -8.027 2.722 1.00 0.00 H new ATOM 762 N LYS A 59 11.113 -6.200 0.083 1.00 0.00 N ATOM 763 CA LYS A 59 11.933 -5.805 -1.043 1.00 0.00 C ATOM 764 C LYS A 59 11.874 -4.332 -1.428 1.00 0.00 C ATOM 765 O LYS A 59 12.805 -3.832 -2.062 1.00 0.00 O ATOM 766 CB LYS A 59 11.523 -6.670 -2.237 1.00 0.00 C ATOM 767 CG LYS A 59 11.817 -8.153 -2.033 1.00 0.00 C ATOM 768 CD LYS A 59 11.388 -8.715 -3.383 1.00 0.00 C ATOM 769 CE LYS A 59 11.796 -10.187 -3.262 1.00 0.00 C ATOM 770 NZ LYS A 59 11.783 -10.864 -4.574 1.00 0.00 N ATOM 0 H LYS A 59 10.131 -6.260 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 59 12.969 -5.958 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.457 -6.540 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.047 -6.321 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.870 -8.341 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.246 -8.578 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.317 -8.601 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.894 -8.218 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.793 -10.254 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.116 -10.699 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.064 -11.858 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.825 -10.821 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.450 -10.390 -5.216 1.00 0.00 H new ATOM 784 N LEU A 60 10.855 -3.631 -0.914 1.00 0.00 N ATOM 785 CA LEU A 60 10.598 -2.230 -1.122 1.00 0.00 C ATOM 786 C LEU A 60 9.971 -1.497 0.059 1.00 0.00 C ATOM 787 O LEU A 60 9.049 -2.037 0.678 1.00 0.00 O ATOM 788 CB LEU A 60 9.584 -2.025 -2.244 1.00 0.00 C ATOM 789 CG LEU A 60 9.405 -0.583 -2.739 1.00 0.00 C ATOM 790 CD1 LEU A 60 10.694 0.008 -3.282 1.00 0.00 C ATOM 791 CD2 LEU A 60 8.262 -0.658 -3.754 1.00 0.00 C ATOM 0 H LEU A 60 10.158 -4.066 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 60 11.592 -1.833 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.880 -2.644 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.616 -2.393 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 60 9.153 0.108 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.513 1.029 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.451 0.014 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.045 -0.594 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.069 0.336 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.539 -1.332 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.363 -1.031 -3.263 1.00 0.00 H new ATOM 803 N LYS A 61 10.385 -0.272 0.379 1.00 0.00 N ATOM 804 CA LYS A 61 9.741 0.533 1.401 1.00 0.00 C ATOM 805 C LYS A 61 9.603 1.999 0.990 1.00 0.00 C ATOM 806 O LYS A 61 9.879 2.272 -0.178 1.00 0.00 O ATOM 807 CB LYS A 61 10.461 0.199 2.702 1.00 0.00 C ATOM 808 CG LYS A 61 11.847 0.803 2.971 1.00 0.00 C ATOM 809 CD LYS A 61 12.354 0.443 4.363 1.00 0.00 C ATOM 810 CE LYS A 61 12.393 -1.059 4.595 1.00 0.00 C ATOM 811 NZ LYS A 61 12.647 -1.297 6.029 1.00 0.00 N ATOM 0 H LYS A 61 11.179 0.186 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 61 8.688 0.297 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.809 0.497 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.561 -0.885 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.553 0.444 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.798 1.887 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.354 0.855 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.712 0.907 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.449 -1.515 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.175 -1.517 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.918 -1.934 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.584 -1.732 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.618 -0.393 6.542 1.00 0.00 H new ATOM 825 N PRO A 62 9.318 2.906 1.935 1.00 0.00 N ATOM 826 CA PRO A 62 9.229 4.303 1.597 1.00 0.00 C ATOM 827 C PRO A 62 10.576 5.009 1.702 1.00 0.00 C ATOM 828 O PRO A 62 11.423 4.560 2.474 1.00 0.00 O ATOM 829 CB PRO A 62 8.303 4.832 2.686 1.00 0.00 C ATOM 830 CG PRO A 62 8.553 4.002 3.940 1.00 0.00 C ATOM 831 CD PRO A 62 8.896 2.659 3.293 1.00 0.00 C ATOM 0 HA PRO A 62 8.889 4.464 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.500 5.887 2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.261 4.754 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.369 4.395 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.676 3.944 4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.687 2.159 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.029 1.998 3.307 1.00 0.00 H new ATOM 839 N THR A 63 10.824 6.046 0.894 1.00 0.00 N ATOM 840 CA THR A 63 12.106 6.711 0.770 1.00 0.00 C ATOM 841 C THR A 63 11.980 8.207 0.543 1.00 0.00 C ATOM 842 O THR A 63 10.853 8.691 0.541 1.00 0.00 O ATOM 843 CB THR A 63 13.016 6.056 -0.259 1.00 0.00 C ATOM 844 OG1 THR A 63 12.505 6.352 -1.553 1.00 0.00 O ATOM 845 CG2 THR A 63 13.301 4.576 -0.002 1.00 0.00 C ATOM 0 H THR A 63 10.107 6.452 0.292 1.00 0.00 H new ATOM 0 HA THR A 63 12.590 6.585 1.739 1.00 0.00 H new ATOM 0 HB THR A 63 14.015 6.483 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.999 5.838 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.957 4.191 -0.783 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.786 4.462 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.364 4.019 -0.007 1.00 0.00 H new ATOM 853 N ILE A 64 13.088 8.958 0.395 1.00 0.00 N ATOM 854 CA ILE A 64 13.107 10.388 0.183 1.00 0.00 C ATOM 855 C ILE A 64 12.781 10.647 -1.287 1.00 0.00 C ATOM 856 O ILE A 64 12.025 11.583 -1.552 1.00 0.00 O ATOM 857 CB ILE A 64 14.470 10.903 0.635 1.00 0.00 C ATOM 858 CG1 ILE A 64 14.505 12.418 0.510 1.00 0.00 C ATOM 859 CG2 ILE A 64 15.668 10.420 -0.175 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.471 13.013 1.453 1.00 0.00 C ATOM 0 H ILE A 64 14.024 8.553 0.424 1.00 0.00 H new ATOM 0 HA ILE A 64 12.360 10.928 0.765 1.00 0.00 H new ATOM 0 HB ILE A 64 14.565 10.521 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.499 12.794 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.295 12.717 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 16.582 10.849 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.724 9.332 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 64 15.555 10.733 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.487 14.100 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.481 12.644 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.703 12.722 2.478 1.00 0.00 H new ATOM 872 N SER A 65 13.348 9.909 -2.245 1.00 0.00 N ATOM 873 CA SER A 65 12.866 9.989 -3.622 1.00 0.00 C ATOM 874 C SER A 65 11.368 9.726 -3.622 1.00 0.00 C ATOM 875 O SER A 65 10.644 10.060 -4.567 1.00 0.00 O ATOM 876 CB SER A 65 13.578 8.968 -4.510 1.00 0.00 C ATOM 877 OG SER A 65 13.231 7.637 -4.195 1.00 0.00 O ATOM 0 H SER A 65 14.124 9.264 -2.096 1.00 0.00 H new ATOM 0 HA SER A 65 13.076 10.981 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.332 9.166 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.656 9.092 -4.407 1.00 0.00 H new ATOM 0 HG SER A 65 13.040 7.567 -3.236 1.00 0.00 H new ATOM 883 N GLN A 66 10.778 9.331 -2.503 1.00 0.00 N ATOM 884 CA GLN A 66 9.349 9.072 -2.554 1.00 0.00 C ATOM 885 C GLN A 66 8.503 9.949 -1.644 1.00 0.00 C ATOM 886 O GLN A 66 7.426 10.379 -2.039 1.00 0.00 O ATOM 887 CB GLN A 66 8.989 7.658 -2.109 1.00 0.00 C ATOM 888 CG GLN A 66 9.285 6.641 -3.218 1.00 0.00 C ATOM 889 CD GLN A 66 8.984 5.227 -2.736 1.00 0.00 C ATOM 890 OE1 GLN A 66 7.879 4.726 -2.941 1.00 0.00 O ATOM 891 NE2 GLN A 66 9.907 4.561 -2.028 1.00 0.00 N ATOM 0 H GLN A 66 11.233 9.190 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 66 9.132 9.267 -3.604 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.554 7.400 -1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.933 7.614 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.683 6.868 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.330 6.715 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.822 4.980 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.695 3.635 -1.657 1.00 0.00 H new ATOM 900 N ALA A 67 8.955 10.291 -0.441 1.00 0.00 N ATOM 901 CA ALA A 67 8.099 10.786 0.613 1.00 0.00 C ATOM 902 C ALA A 67 6.984 11.738 0.223 1.00 0.00 C ATOM 903 O ALA A 67 5.905 11.592 0.792 1.00 0.00 O ATOM 904 CB ALA A 67 9.035 11.440 1.637 1.00 0.00 C ATOM 0 H ALA A 67 9.938 10.229 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 67 7.538 9.933 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.448 11.837 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.738 10.697 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.586 12.251 1.161 1.00 0.00 H new ATOM 910 N ARG A 68 7.179 12.786 -0.595 1.00 0.00 N ATOM 911 CA ARG A 68 6.189 13.841 -0.699 1.00 0.00 C ATOM 912 C ARG A 68 4.893 13.488 -1.420 1.00 0.00 C ATOM 913 O ARG A 68 3.871 13.646 -0.755 1.00 0.00 O ATOM 914 CB ARG A 68 6.725 15.139 -1.307 1.00 0.00 C ATOM 915 CG ARG A 68 7.831 15.659 -0.400 1.00 0.00 C ATOM 916 CD ARG A 68 8.233 17.111 -0.690 1.00 0.00 C ATOM 917 NE ARG A 68 8.977 17.251 -1.939 1.00 0.00 N ATOM 918 CZ ARG A 68 8.495 17.540 -3.166 1.00 0.00 C ATOM 919 NH1 ARG A 68 7.198 17.900 -3.183 1.00 0.00 N ATOM 920 NH2 ARG A 68 9.289 17.479 -4.235 1.00 0.00 N ATOM 0 H ARG A 68 8.004 12.914 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 68 5.948 13.987 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.108 14.960 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.927 15.876 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.505 15.582 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.708 15.020 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.337 17.730 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.840 17.487 0.134 1.00 0.00 H new ATOM 0 HE ARG A 68 9.986 17.113 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.667 17.936 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.746 18.137 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.268 17.212 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.918 17.699 -5.159 1.00 0.00 H new ATOM 934 N GLN A 69 4.925 12.965 -2.655 1.00 0.00 N ATOM 935 CA GLN A 69 3.699 12.411 -3.171 1.00 0.00 C ATOM 936 C GLN A 69 3.204 11.224 -2.367 1.00 0.00 C ATOM 937 O GLN A 69 1.983 11.159 -2.206 1.00 0.00 O ATOM 938 CB GLN A 69 3.847 12.031 -4.642 1.00 0.00 C ATOM 939 CG GLN A 69 2.544 11.708 -5.370 1.00 0.00 C ATOM 940 CD GLN A 69 2.859 11.471 -6.840 1.00 0.00 C ATOM 941 OE1 GLN A 69 2.694 12.352 -7.673 1.00 0.00 O ATOM 942 NE2 GLN A 69 3.365 10.281 -7.168 1.00 0.00 N ATOM 0 H GLN A 69 5.738 12.921 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 69 2.947 13.194 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.341 12.851 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.506 11.166 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.076 10.825 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.836 12.530 -5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.491 9.566 -6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.626 10.087 -8.135 1.00 0.00 H new ATOM 951 N LEU A 70 4.127 10.362 -1.918 1.00 0.00 N ATOM 952 CA LEU A 70 3.786 9.086 -1.317 1.00 0.00 C ATOM 953 C LEU A 70 2.812 9.369 -0.191 1.00 0.00 C ATOM 954 O LEU A 70 1.709 8.822 -0.140 1.00 0.00 O ATOM 955 CB LEU A 70 5.018 8.358 -0.776 1.00 0.00 C ATOM 956 CG LEU A 70 4.779 7.102 0.055 1.00 0.00 C ATOM 957 CD1 LEU A 70 4.183 6.001 -0.833 1.00 0.00 C ATOM 958 CD2 LEU A 70 6.105 6.582 0.617 1.00 0.00 C ATOM 0 H LEU A 70 5.130 10.540 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 70 3.346 8.434 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.649 8.087 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.586 9.062 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 70 4.097 7.353 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.013 5.105 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.236 6.343 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.876 5.772 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.923 5.685 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.780 6.343 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.558 7.347 1.248 1.00 0.00 H new ATOM 970 N GLU A 71 3.097 10.321 0.700 1.00 0.00 N ATOM 971 CA GLU A 71 2.224 10.718 1.799 1.00 0.00 C ATOM 972 C GLU A 71 0.871 11.172 1.297 1.00 0.00 C ATOM 973 O GLU A 71 -0.200 10.903 1.834 1.00 0.00 O ATOM 974 CB GLU A 71 2.982 11.843 2.528 1.00 0.00 C ATOM 975 CG GLU A 71 2.477 12.055 3.961 1.00 0.00 C ATOM 976 CD GLU A 71 2.926 13.471 4.301 1.00 0.00 C ATOM 977 OE1 GLU A 71 4.160 13.670 4.398 1.00 0.00 O ATOM 978 OE2 GLU A 71 2.108 14.317 4.706 1.00 0.00 O ATOM 0 H GLU A 71 3.968 10.851 0.673 1.00 0.00 H new ATOM 0 HA GLU A 71 2.009 9.886 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.045 11.605 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.876 12.772 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.393 11.954 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.905 11.324 4.648 1.00 0.00 H new ATOM 985 N LYS A 72 0.840 12.090 0.332 1.00 0.00 N ATOM 986 CA LYS A 72 -0.352 12.804 -0.088 1.00 0.00 C ATOM 987 C LYS A 72 -1.357 11.994 -0.894 1.00 0.00 C ATOM 988 O LYS A 72 -2.538 12.317 -0.774 1.00 0.00 O ATOM 989 CB LYS A 72 0.090 13.991 -0.938 1.00 0.00 C ATOM 990 CG LYS A 72 0.779 14.999 -0.029 1.00 0.00 C ATOM 991 CD LYS A 72 1.186 16.220 -0.845 1.00 0.00 C ATOM 992 CE LYS A 72 1.917 17.243 0.018 1.00 0.00 C ATOM 993 NZ LYS A 72 3.366 16.957 0.019 1.00 0.00 N ATOM 0 H LYS A 72 1.672 12.361 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.870 13.087 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.769 13.663 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.769 14.448 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.109 15.294 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.657 14.548 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.828 15.911 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.300 16.678 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.736 18.248 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.531 17.214 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.783 17.281 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.518 15.933 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.819 17.455 -0.774 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.006 10.973 -1.681 1.00 0.00 N ATOM 1008 CA ILE A 73 -1.984 9.993 -2.122 1.00 0.00 C ATOM 1009 C ILE A 73 -2.541 9.158 -0.982 1.00 0.00 C ATOM 1010 O ILE A 73 -3.646 8.657 -1.186 1.00 0.00 O ATOM 1011 CB ILE A 73 -1.308 9.115 -3.177 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -0.231 8.147 -2.727 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -0.951 9.985 -4.377 1.00 0.00 C ATOM 1014 CD1 ILE A 73 0.048 7.017 -3.718 1.00 0.00 C ATOM 0 H ILE A 73 -0.058 10.810 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.846 10.511 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.048 8.370 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.692 8.701 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.524 7.713 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.468 9.373 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.858 10.427 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.271 10.777 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.830 6.370 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.861 6.435 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.374 7.439 -4.669 1.00 0.00 H new ATOM 1026 N LEU A 74 -1.918 9.131 0.195 1.00 0.00 N ATOM 1027 CA LEU A 74 -2.324 8.732 1.528 1.00 0.00 C ATOM 1028 C LEU A 74 -1.231 8.107 2.378 1.00 0.00 C ATOM 1029 O LEU A 74 -1.396 7.820 3.558 1.00 0.00 O ATOM 1030 CB LEU A 74 -3.656 7.990 1.674 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.633 6.481 1.598 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -4.978 5.865 2.024 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -3.303 5.967 0.196 1.00 0.00 C ATOM 0 H LEU A 74 -0.948 9.446 0.228 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.530 9.716 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.093 8.271 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.329 8.354 0.898 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.846 6.174 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.919 4.779 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.200 6.152 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.769 6.228 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.300 4.877 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.053 6.326 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.320 6.332 -0.103 1.00 0.00 H new ATOM 1045 N GLY A 75 -0.084 7.797 1.758 1.00 0.00 N ATOM 1046 CA GLY A 75 0.952 7.045 2.438 1.00 0.00 C ATOM 1047 C GLY A 75 0.622 5.575 2.633 1.00 0.00 C ATOM 1048 O GLY A 75 1.354 5.002 3.436 1.00 0.00 O ATOM 0 H GLY A 75 0.138 8.057 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.878 7.126 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.135 7.498 3.412 1.00 0.00 H new ATOM 1052 N ILE A 76 -0.473 5.044 2.079 1.00 0.00 N ATOM 1053 CA ILE A 76 -1.026 3.716 1.975 1.00 0.00 C ATOM 1054 C ILE A 76 -1.608 3.100 3.249 1.00 0.00 C ATOM 1055 O ILE A 76 -1.873 1.903 3.177 1.00 0.00 O ATOM 1056 CB ILE A 76 -0.118 2.765 1.208 1.00 0.00 C ATOM 1057 CG1 ILE A 76 1.040 2.185 2.012 1.00 0.00 C ATOM 1058 CG2 ILE A 76 0.336 3.158 -0.201 1.00 0.00 C ATOM 1059 CD1 ILE A 76 1.511 0.753 1.812 1.00 0.00 C ATOM 0 H ILE A 76 -1.106 5.686 1.601 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.922 3.875 1.376 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.845 1.972 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.902 2.829 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.777 2.287 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.976 2.375 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.536 3.284 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.892 4.094 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.344 0.547 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.692 0.067 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.835 0.617 0.780 1.00 0.00 H new ATOM 1071 N LYS A 77 -1.702 3.818 4.357 1.00 0.00 N ATOM 1072 CA LYS A 77 -2.322 3.259 5.542 1.00 0.00 C ATOM 1073 C LYS A 77 -3.836 3.110 5.438 1.00 0.00 C ATOM 1074 O LYS A 77 -4.416 4.043 4.882 1.00 0.00 O ATOM 1075 CB LYS A 77 -1.913 4.065 6.775 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.457 5.487 6.904 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.908 6.198 8.141 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.672 7.511 8.316 1.00 0.00 C ATOM 1079 NZ LYS A 77 -4.006 7.447 8.930 1.00 0.00 N ATOM 0 H LYS A 77 -1.362 4.774 4.458 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.950 2.239 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.221 3.506 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.825 4.119 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.197 6.057 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.545 5.456 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.025 5.570 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.841 6.391 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.057 8.180 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.776 7.972 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.408 8.404 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.626 6.845 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.929 7.046 9.887 1.00 0.00 H new ATOM 1093 N LEU A 78 -4.451 2.118 6.078 1.00 0.00 N ATOM 1094 CA LEU A 78 -5.883 1.993 6.252 1.00 0.00 C ATOM 1095 C LEU A 78 -6.289 1.629 7.677 1.00 0.00 C ATOM 1096 O LEU A 78 -5.484 0.996 8.365 1.00 0.00 O ATOM 1097 CB LEU A 78 -6.461 1.148 5.115 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.572 1.878 3.792 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -7.133 0.974 2.684 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -7.391 3.162 3.792 1.00 0.00 C ATOM 0 H LEU A 78 -3.935 1.349 6.506 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.361 2.968 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.835 0.266 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.450 0.795 5.406 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.537 2.162 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.196 1.537 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.475 0.116 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.127 0.627 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.396 3.591 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.414 2.941 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.950 3.875 4.489 1.00 0.00 H new ATOM 1112 N VAL A 79 -7.460 1.995 8.205 1.00 0.00 N ATOM 1113 CA VAL A 79 -8.552 2.659 7.520 1.00 0.00 C ATOM 1114 C VAL A 79 -8.639 4.118 7.917 1.00 0.00 C ATOM 1115 O VAL A 79 -8.583 4.425 9.107 1.00 0.00 O ATOM 1116 CB VAL A 79 -9.876 1.932 7.765 1.00 0.00 C ATOM 1117 CG1 VAL A 79 -10.953 2.616 6.909 1.00 0.00 C ATOM 1118 CG2 VAL A 79 -9.779 0.471 7.352 1.00 0.00 C ATOM 0 H VAL A 79 -7.676 1.820 9.186 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.349 2.623 6.450 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.121 1.975 8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.910 2.118 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.038 3.663 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.676 2.552 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.733 -0.023 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.537 0.408 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.998 -0.020 7.932 1.00 0.00 H new ATOM 1128 N THR A 80 -8.796 5.021 6.943 1.00 0.00 N ATOM 1129 CA THR A 80 -8.968 6.449 7.085 1.00 0.00 C ATOM 1130 C THR A 80 -10.455 6.714 7.215 1.00 0.00 C ATOM 1131 O THR A 80 -11.256 6.217 6.408 1.00 0.00 O ATOM 1132 CB THR A 80 -8.466 7.139 5.825 1.00 0.00 C ATOM 1133 OG1 THR A 80 -8.822 6.570 4.583 1.00 0.00 O ATOM 1134 CG2 THR A 80 -6.948 7.000 5.812 1.00 0.00 C ATOM 0 H THR A 80 -8.805 4.738 5.963 1.00 0.00 H new ATOM 0 HA THR A 80 -8.420 6.820 7.951 1.00 0.00 H new ATOM 0 HB THR A 80 -8.901 8.136 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.724 6.863 4.335 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.546 7.483 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.532 7.474 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.679 5.944 5.804 1.00 0.00 H new ATOM 1142 N PRO A 81 -10.862 7.575 8.146 1.00 0.00 N ATOM 1143 CA PRO A 81 -12.278 7.858 8.297 1.00 0.00 C ATOM 1144 C PRO A 81 -12.902 8.618 7.143 1.00 0.00 C ATOM 1145 O PRO A 81 -14.067 9.036 7.181 1.00 0.00 O ATOM 1146 CB PRO A 81 -12.309 8.656 9.605 1.00 0.00 C ATOM 1147 CG PRO A 81 -11.031 9.489 9.597 1.00 0.00 C ATOM 1148 CD PRO A 81 -10.072 8.502 8.936 1.00 0.00 C ATOM 0 HA PRO A 81 -12.877 6.947 8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.193 9.292 9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.341 7.993 10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.139 10.411 9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.712 9.771 10.600 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.357 9.029 8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.496 7.966 9.690 1.00 0.00 H new ATOM 1156 N LEU A 82 -12.190 8.788 6.037 1.00 0.00 N ATOM 1157 CA LEU A 82 -12.605 9.393 4.779 1.00 0.00 C ATOM 1158 C LEU A 82 -11.737 8.835 3.667 1.00 0.00 C ATOM 1159 O LEU A 82 -10.707 8.230 3.950 1.00 0.00 O ATOM 1160 CB LEU A 82 -12.437 10.893 5.002 1.00 0.00 C ATOM 1161 CG LEU A 82 -11.165 11.529 5.577 1.00 0.00 C ATOM 1162 CD1 LEU A 82 -9.848 11.376 4.840 1.00 0.00 C ATOM 1163 CD2 LEU A 82 -11.469 12.993 5.905 1.00 0.00 C ATOM 0 H LEU A 82 -11.219 8.478 5.994 1.00 0.00 H new ATOM 0 HA LEU A 82 -13.633 9.181 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.606 11.367 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.254 11.199 5.655 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.947 10.927 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.060 11.889 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.600 10.318 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.936 11.811 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.577 13.466 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.771 13.514 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.276 13.042 6.636 1.00 0.00 H new ATOM 1175 N GLU A 83 -12.123 9.048 2.401 1.00 0.00 N ATOM 1176 CA GLU A 83 -11.410 8.720 1.181 1.00 0.00 C ATOM 1177 C GLU A 83 -10.194 9.594 0.974 1.00 0.00 C ATOM 1178 O GLU A 83 -10.182 10.605 0.255 1.00 0.00 O ATOM 1179 CB GLU A 83 -12.339 8.876 -0.036 1.00 0.00 C ATOM 1180 CG GLU A 83 -13.491 7.880 -0.171 1.00 0.00 C ATOM 1181 CD GLU A 83 -12.980 6.467 -0.358 1.00 0.00 C ATOM 1182 OE1 GLU A 83 -12.431 6.015 -1.398 1.00 0.00 O ATOM 1183 OE2 GLU A 83 -13.096 5.674 0.597 1.00 0.00 O ATOM 0 H GLU A 83 -13.019 9.492 2.199 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.078 7.686 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.762 9.880 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.729 8.810 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.120 7.926 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.117 8.158 -1.019 1.00 0.00 H new ATOM 1190 N ASN A 84 -9.149 9.308 1.753 1.00 0.00 N ATOM 1191 CA ASN A 84 -7.999 10.151 2.018 1.00 0.00 C ATOM 1192 C ASN A 84 -7.094 10.418 0.814 1.00 0.00 C ATOM 1193 O ASN A 84 -6.573 9.528 0.150 1.00 0.00 O ATOM 1194 CB ASN A 84 -7.089 9.524 3.060 1.00 0.00 C ATOM 1195 CG ASN A 84 -6.110 10.541 3.629 1.00 0.00 C ATOM 1196 OD1 ASN A 84 -6.311 11.247 4.610 1.00 0.00 O ATOM 1197 ND2 ASN A 84 -4.962 10.629 2.954 1.00 0.00 N ATOM 0 H ASN A 84 -9.087 8.417 2.246 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.453 11.087 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.691 9.106 3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.537 8.697 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.243 11.288 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.803 10.037 2.138 1.00 0.00 H new ATOM 1204 N ASN A 85 -6.875 11.707 0.551 1.00 0.00 N ATOM 1205 CA ASN A 85 -5.913 12.311 -0.334 1.00 0.00 C ATOM 1206 C ASN A 85 -5.712 13.775 -0.015 1.00 0.00 C ATOM 1207 O ASN A 85 -6.628 14.429 0.451 1.00 0.00 O ATOM 1208 CB ASN A 85 -6.398 12.197 -1.780 1.00 0.00 C ATOM 1209 CG ASN A 85 -5.511 12.845 -2.824 1.00 0.00 C ATOM 1210 OD1 ASN A 85 -4.565 12.276 -3.373 1.00 0.00 O ATOM 1211 ND2 ASN A 85 -5.793 14.098 -3.179 1.00 0.00 N ATOM 0 H ASN A 85 -7.438 12.422 1.012 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.968 11.785 -0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.505 11.140 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.391 12.642 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.231 14.565 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.571 14.590 -2.739 1.00 0.00 H new ATOM 1218 N GLU A 86 -4.509 14.316 -0.275 1.00 0.00 N ATOM 1219 CA GLU A 86 -4.177 15.724 -0.141 1.00 0.00 C ATOM 1220 C GLU A 86 -3.733 16.261 -1.496 1.00 0.00 C ATOM 1221 O GLU A 86 -2.867 15.746 -2.197 1.00 0.00 O ATOM 1222 CB GLU A 86 -3.175 15.981 0.982 1.00 0.00 C ATOM 1223 CG GLU A 86 -3.594 15.586 2.390 1.00 0.00 C ATOM 1224 CD GLU A 86 -2.395 15.301 3.280 1.00 0.00 C ATOM 1225 OE1 GLU A 86 -1.394 16.062 3.241 1.00 0.00 O ATOM 1226 OE2 GLU A 86 -2.438 14.270 3.992 1.00 0.00 O ATOM 0 H GLU A 86 -3.720 13.754 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.065 16.278 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.254 15.449 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.937 17.045 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.190 16.386 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.231 14.702 2.345 1.00 0.00 H new ATOM 1233 N GLU A 87 -4.487 17.291 -1.875 1.00 0.00 N ATOM 1234 CA GLU A 87 -4.259 17.992 -3.133 1.00 0.00 C ATOM 1235 C GLU A 87 -3.618 19.350 -2.963 1.00 0.00 C ATOM 1236 O GLU A 87 -3.704 20.300 -3.751 1.00 0.00 O ATOM 1237 CB GLU A 87 -5.443 17.972 -4.083 1.00 0.00 C ATOM 1238 CG GLU A 87 -6.721 18.594 -3.537 1.00 0.00 C ATOM 1239 CD GLU A 87 -7.827 18.329 -4.536 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -8.257 17.156 -4.645 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -8.134 19.280 -5.276 1.00 0.00 O ATOM 0 H GLU A 87 -5.264 17.658 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.505 17.396 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.164 18.496 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.650 16.938 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.971 18.164 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.591 19.666 -3.387 1.00 0.00 H new ATOM 1248 N SER A 88 -2.871 19.414 -1.868 1.00 0.00 N ATOM 1249 CA SER A 88 -2.222 20.603 -1.322 1.00 0.00 C ATOM 1250 C SER A 88 -0.916 20.922 -2.058 1.00 0.00 C ATOM 1251 O SER A 88 -0.442 22.019 -1.831 1.00 0.00 O ATOM 1252 CB SER A 88 -1.844 20.321 0.124 1.00 0.00 C ATOM 1253 OG SER A 88 -0.995 19.212 0.058 1.00 0.00 O ATOM 0 H SER A 88 -2.690 18.586 -1.301 1.00 0.00 H new ATOM 0 HA SER A 88 -2.915 21.438 -1.424 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.343 21.177 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.725 20.110 0.730 1.00 0.00 H new ATOM 0 HG SER A 88 -0.704 18.968 0.962 1.00 0.00 H new ATOM 1259 N GLU A 89 -0.364 20.127 -2.972 1.00 0.00 N ATOM 1260 CA GLU A 89 0.981 20.367 -3.474 1.00 0.00 C ATOM 1261 C GLU A 89 1.162 19.956 -4.921 1.00 0.00 C ATOM 1262 O GLU A 89 1.254 18.771 -5.253 1.00 0.00 O ATOM 1263 CB GLU A 89 1.921 19.738 -2.460 1.00 0.00 C ATOM 1264 CG GLU A 89 3.334 19.881 -3.030 1.00 0.00 C ATOM 1265 CD GLU A 89 4.465 19.356 -2.164 1.00 0.00 C ATOM 1266 OE1 GLU A 89 4.649 18.134 -2.029 1.00 0.00 O ATOM 1267 OE2 GLU A 89 5.252 20.196 -1.667 1.00 0.00 O ATOM 0 H GLU A 89 -0.828 19.314 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 89 1.213 21.430 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.840 20.237 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.672 18.689 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.370 19.365 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.517 20.937 -3.229 1.00 0.00 H new ATOM 1274 N LYS A 90 1.231 20.902 -5.859 1.00 0.00 N ATOM 1275 CA LYS A 90 1.304 20.608 -7.266 1.00 0.00 C ATOM 1276 C LYS A 90 2.686 20.360 -7.882 1.00 0.00 C ATOM 1277 O LYS A 90 2.674 19.855 -8.993 1.00 0.00 O ATOM 1278 CB LYS A 90 0.527 21.699 -7.998 1.00 0.00 C ATOM 1279 CG LYS A 90 -1.004 21.702 -7.910 1.00 0.00 C ATOM 1280 CD LYS A 90 -1.681 22.113 -6.615 1.00 0.00 C ATOM 1281 CE LYS A 90 -3.195 22.274 -6.756 1.00 0.00 C ATOM 1282 NZ LYS A 90 -3.965 21.060 -6.412 1.00 0.00 N ATOM 0 H LYS A 90 1.237 21.900 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 90 0.859 19.621 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.881 22.661 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.797 21.645 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.374 22.362 -8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.346 20.696 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.471 21.367 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.252 23.054 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.524 23.093 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.425 22.559 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.971 21.214 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.610 20.255 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.857 20.856 -5.398 1.00 0.00 H new ATOM 1296 N GLU A 91 3.775 20.669 -7.172 1.00 0.00 N ATOM 1297 CA GLU A 91 5.109 20.322 -7.620 1.00 0.00 C ATOM 1298 C GLU A 91 5.621 19.123 -6.848 1.00 0.00 C ATOM 1299 O GLU A 91 5.935 19.299 -5.671 1.00 0.00 O ATOM 1300 CB GLU A 91 6.041 21.517 -7.477 1.00 0.00 C ATOM 1301 CG GLU A 91 5.937 22.646 -8.495 1.00 0.00 C ATOM 1302 CD GLU A 91 6.423 22.218 -9.863 1.00 0.00 C ATOM 1303 OE1 GLU A 91 6.290 21.029 -10.232 1.00 0.00 O ATOM 1304 OE2 GLU A 91 7.004 23.014 -10.615 1.00 0.00 O ATOM 0 H GLU A 91 3.748 21.162 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 91 5.075 20.052 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.880 21.946 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.065 21.144 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.901 22.978 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.522 23.499 -8.152 1.00 0.00 H new ATOM 1311 N PHE A 92 5.867 18.038 -7.602 1.00 0.00 N ATOM 1312 CA PHE A 92 6.568 16.889 -7.068 1.00 0.00 C ATOM 1313 C PHE A 92 7.379 16.282 -8.201 1.00 0.00 C ATOM 1314 O PHE A 92 6.807 16.142 -9.272 1.00 0.00 O ATOM 1315 CB PHE A 92 5.639 15.827 -6.458 1.00 0.00 C ATOM 1316 CG PHE A 92 6.309 14.552 -6.042 1.00 0.00 C ATOM 1317 CD1 PHE A 92 7.104 14.467 -4.893 1.00 0.00 C ATOM 1318 CD2 PHE A 92 5.977 13.327 -6.656 1.00 0.00 C ATOM 1319 CE1 PHE A 92 7.584 13.266 -4.367 1.00 0.00 C ATOM 1320 CE2 PHE A 92 6.577 12.123 -6.279 1.00 0.00 C ATOM 1321 CZ PHE A 92 7.421 12.115 -5.151 1.00 0.00 C ATOM 0 H PHE A 92 5.586 17.946 -8.578 1.00 0.00 H new ATOM 0 HA PHE A 92 7.202 17.228 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.143 16.258 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.861 15.589 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.361 15.384 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.236 13.319 -7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.060 13.225 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.398 11.218 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.949 11.211 -4.887 1.00 0.00 H new ATOM 1331 N ASP A 93 8.637 15.927 -7.959 1.00 0.00 N ATOM 1332 CA ASP A 93 9.572 15.249 -8.840 1.00 0.00 C ATOM 1333 C ASP A 93 10.692 14.621 -8.033 1.00 0.00 C ATOM 1334 O ASP A 93 11.158 15.210 -7.055 1.00 0.00 O ATOM 1335 CB ASP A 93 10.011 16.211 -9.947 1.00 0.00 C ATOM 1336 CG ASP A 93 11.036 15.703 -10.951 1.00 0.00 C ATOM 1337 OD1 ASP A 93 11.095 14.474 -11.193 1.00 0.00 O ATOM 1338 OD2 ASP A 93 11.546 16.596 -11.649 1.00 0.00 O ATOM 0 H ASP A 93 9.064 16.127 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 93 9.102 14.410 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.122 16.517 -10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.417 17.105 -9.474 1.00 0.00 H new ATOM 1343 N ASP A 94 11.201 13.421 -8.346 1.00 0.00 N ATOM 1344 CA ASP A 94 12.350 12.875 -7.657 1.00 0.00 C ATOM 1345 C ASP A 94 13.695 13.096 -8.324 1.00 0.00 C ATOM 1346 O ASP A 94 14.737 12.942 -7.690 1.00 0.00 O ATOM 1347 CB ASP A 94 12.010 11.396 -7.445 1.00 0.00 C ATOM 1348 CG ASP A 94 12.197 10.488 -8.645 1.00 0.00 C ATOM 1349 OD1 ASP A 94 13.168 10.566 -9.433 1.00 0.00 O ATOM 1350 OD2 ASP A 94 11.319 9.610 -8.816 1.00 0.00 O ATOM 0 H ASP A 94 10.824 12.818 -9.077 1.00 0.00 H new ATOM 0 HA ASP A 94 12.506 13.408 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.625 11.017 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.972 11.326 -7.121 1.00 0.00 H new ATOM 1355 N THR A 95 13.653 13.526 -9.590 1.00 0.00 N ATOM 1356 CA THR A 95 14.707 13.659 -10.580 1.00 0.00 C ATOM 1357 C THR A 95 16.065 14.128 -10.067 1.00 0.00 C ATOM 1358 O THR A 95 17.080 13.465 -10.278 1.00 0.00 O ATOM 1359 CB THR A 95 14.218 14.597 -11.686 1.00 0.00 C ATOM 1360 OG1 THR A 95 13.220 13.931 -12.428 1.00 0.00 O ATOM 1361 CG2 THR A 95 15.196 14.845 -12.818 1.00 0.00 C ATOM 0 H THR A 95 12.762 13.825 -9.986 1.00 0.00 H new ATOM 0 HA THR A 95 14.896 12.648 -10.940 1.00 0.00 H new ATOM 0 HB THR A 95 13.964 15.507 -11.143 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.407 13.853 -11.886 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.747 15.522 -13.545 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.107 15.291 -12.420 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.437 13.900 -13.304 1.00 0.00 H new ATOM 1369 N GLY A 96 16.190 15.246 -9.352 1.00 0.00 N ATOM 1370 CA GLY A 96 17.439 15.730 -8.815 1.00 0.00 C ATOM 1371 C GLY A 96 17.832 15.059 -7.506 1.00 0.00 C ATOM 1372 O GLY A 96 18.936 15.264 -7.040 1.00 0.00 O ATOM 0 H GLY A 96 15.397 15.848 -9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.229 15.569 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.366 16.806 -8.656 1.00 0.00 H new ATOM 1376 N LEU A 97 17.067 14.097 -6.966 1.00 0.00 N ATOM 1377 CA LEU A 97 17.441 13.160 -5.922 1.00 0.00 C ATOM 1378 C LEU A 97 17.845 11.791 -6.443 1.00 0.00 C ATOM 1379 O LEU A 97 18.305 10.956 -5.662 1.00 0.00 O ATOM 1380 CB LEU A 97 16.303 12.929 -4.930 1.00 0.00 C ATOM 1381 CG LEU A 97 15.738 14.227 -4.363 1.00 0.00 C ATOM 1382 CD1 LEU A 97 14.621 13.885 -3.384 1.00 0.00 C ATOM 1383 CD2 LEU A 97 16.749 15.158 -3.694 1.00 0.00 C ATOM 0 H LEU A 97 16.106 13.953 -7.277 1.00 0.00 H new ATOM 0 HA LEU A 97 18.298 13.633 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 97 15.504 12.376 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 97 16.663 12.307 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 97 15.375 14.792 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 97 14.206 14.804 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 97 13.837 13.335 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 97 15.020 13.271 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.237 16.048 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 97 17.221 14.642 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 97 17.510 15.449 -4.418 1.00 0.00 H new ATOM 1395 N THR A 98 17.663 11.544 -7.732 1.00 0.00 N ATOM 1396 CA THR A 98 17.716 10.207 -8.279 1.00 0.00 C ATOM 1397 C THR A 98 18.683 10.143 -9.451 1.00 0.00 C ATOM 1398 O THR A 98 19.678 9.428 -9.373 1.00 0.00 O ATOM 1399 CB THR A 98 16.341 9.600 -8.601 1.00 0.00 C ATOM 1400 OG1 THR A 98 15.674 10.499 -9.449 1.00 0.00 O ATOM 1401 CG2 THR A 98 15.422 9.413 -7.413 1.00 0.00 C ATOM 0 H THR A 98 17.475 12.269 -8.424 1.00 0.00 H new ATOM 0 HA THR A 98 18.104 9.566 -7.488 1.00 0.00 H new ATOM 0 HB THR A 98 16.544 8.616 -9.023 1.00 0.00 H new ATOM 0 HG1 THR A 98 14.791 10.705 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 98 14.479 8.979 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 98 15.893 8.746 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 98 15.231 10.379 -6.945 1.00 0.00 H new ATOM 1409 N LEU A 99 18.450 10.913 -10.510 1.00 0.00 N ATOM 1410 CA LEU A 99 19.233 10.964 -11.727 1.00 0.00 C ATOM 1411 C LEU A 99 20.254 12.096 -11.760 1.00 0.00 C ATOM 1412 O LEU A 99 21.142 12.144 -12.587 1.00 0.00 O ATOM 1413 CB LEU A 99 18.312 11.100 -12.939 1.00 0.00 C ATOM 1414 CG LEU A 99 17.405 9.931 -13.306 1.00 0.00 C ATOM 1415 CD1 LEU A 99 16.564 10.284 -14.531 1.00 0.00 C ATOM 1416 CD2 LEU A 99 18.141 8.642 -13.621 1.00 0.00 C ATOM 0 H LEU A 99 17.658 11.556 -10.536 1.00 0.00 H new ATOM 0 HA LEU A 99 19.790 10.028 -11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 99 17.678 11.971 -12.776 1.00 0.00 H new ATOM 0 HB3 LEU A 99 18.936 11.318 -13.805 1.00 0.00 H new ATOM 0 HG LEU A 99 16.795 9.760 -12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 99 15.920 9.442 -14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 99 15.950 11.158 -14.311 1.00 0.00 H new ATOM 0 HD13 LEU A 99 17.221 10.504 -15.372 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.420 7.863 -13.871 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.810 8.802 -14.466 1.00 0.00 H new ATOM 0 HD23 LEU A 99 18.722 8.333 -12.752 1.00 0.00 H new ATOM 1428 N GLY A 100 20.088 13.009 -10.797 1.00 0.00 N ATOM 1429 CA GLY A 100 21.002 14.103 -10.514 1.00 0.00 C ATOM 1430 C GLY A 100 21.017 15.205 -11.571 1.00 0.00 C ATOM 1431 O GLY A 100 22.022 15.917 -11.580 1.00 0.00 O ATOM 0 H GLY A 100 19.280 12.999 -10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.736 14.543 -9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 100 22.010 13.701 -10.412 1.00 0.00 H new ATOM 1435 N ASP A 101 19.934 15.272 -12.345 1.00 0.00 N ATOM 1436 CA ASP A 101 19.678 16.087 -13.518 1.00 0.00 C ATOM 1437 C ASP A 101 19.729 17.597 -13.371 1.00 0.00 C ATOM 1438 O ASP A 101 18.951 18.269 -14.045 1.00 0.00 O ATOM 1439 CB ASP A 101 18.568 15.527 -14.400 1.00 0.00 C ATOM 1440 CG ASP A 101 18.560 16.149 -15.791 1.00 0.00 C ATOM 1441 OD1 ASP A 101 19.603 16.130 -16.489 1.00 0.00 O ATOM 1442 OD2 ASP A 101 17.491 16.491 -16.327 1.00 0.00 O ATOM 0 H ASP A 101 19.126 14.686 -12.135 1.00 0.00 H new ATOM 0 HA ASP A 101 20.595 15.971 -14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.688 14.447 -14.489 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.604 15.702 -13.921 1.00 0.00 H new ATOM 1447 N VAL A 102 20.680 18.107 -12.575 1.00 0.00 N ATOM 1448 CA VAL A 102 20.887 19.459 -12.099 1.00 0.00 C ATOM 1449 C VAL A 102 22.273 20.064 -11.997 1.00 0.00 C ATOM 1450 O VAL A 102 23.226 19.306 -12.168 1.00 0.00 O ATOM 1451 CB VAL A 102 20.376 19.522 -10.657 1.00 0.00 C ATOM 1452 CG1 VAL A 102 18.865 19.551 -10.452 1.00 0.00 C ATOM 1453 CG2 VAL A 102 20.986 18.435 -9.795 1.00 0.00 C ATOM 0 H VAL A 102 21.408 17.492 -12.211 1.00 0.00 H new ATOM 0 HA VAL A 102 20.383 20.026 -12.882 1.00 0.00 H new ATOM 0 HB VAL A 102 20.715 20.508 -10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 102 18.643 19.595 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 102 18.448 20.428 -10.946 1.00 0.00 H new ATOM 0 HG13 VAL A 102 18.423 18.650 -10.877 1.00 0.00 H new ATOM 0 HG21 VAL A 102 20.597 18.515 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 102 20.730 17.458 -10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 102 22.070 18.549 -9.779 1.00 0.00 H new ATOM 1463 N VAL A 103 22.588 21.347 -11.781 1.00 0.00 N ATOM 1464 CA VAL A 103 21.588 22.371 -11.554 1.00 0.00 C ATOM 1465 C VAL A 103 20.610 22.322 -12.715 1.00 0.00 C ATOM 1466 O VAL A 103 20.897 22.172 -13.901 1.00 0.00 O ATOM 1467 CB VAL A 103 22.322 23.704 -11.418 1.00 0.00 C ATOM 1468 CG1 VAL A 103 21.368 24.889 -11.485 1.00 0.00 C ATOM 1469 CG2 VAL A 103 23.014 23.885 -10.070 1.00 0.00 C ATOM 0 H VAL A 103 23.547 21.694 -11.761 1.00 0.00 H new ATOM 0 HA VAL A 103 21.010 22.224 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 103 23.038 23.677 -12.240 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.932 25.816 -11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.847 24.883 -12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 103 20.641 24.817 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 103 23.514 24.853 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 103 22.273 23.838 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.749 23.093 -9.929 1.00 0.00 H new ATOM 1479 N ASN A 104 19.377 22.652 -12.331 1.00 0.00 N ATOM 1480 CA ASN A 104 18.235 22.775 -13.218 1.00 0.00 C ATOM 1481 C ASN A 104 18.221 24.106 -13.968 1.00 0.00 C ATOM 1482 O ASN A 104 18.401 25.101 -13.267 1.00 0.00 O ATOM 1483 CB ASN A 104 16.941 22.650 -12.407 1.00 0.00 C ATOM 1484 CG ASN A 104 15.709 22.657 -13.283 1.00 0.00 C ATOM 1485 OD1 ASN A 104 14.898 23.578 -13.332 1.00 0.00 O ATOM 1486 ND2 ASN A 104 15.525 21.588 -14.053 1.00 0.00 N ATOM 0 H ASN A 104 19.144 22.847 -11.357 1.00 0.00 H new ATOM 0 HA ASN A 104 18.311 21.975 -13.955 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.966 21.727 -11.828 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.881 23.472 -11.694 1.00 0.00 H new ATOM 0 HD21 ASN A 104 14.718 21.540 -14.675 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.191 20.816 -14.022 1.00 0.00 H new ATOM 1493 N ILE A 105 18.106 24.034 -15.288 1.00 0.00 N ATOM 1494 CA ILE A 105 18.344 25.156 -16.192 1.00 0.00 C ATOM 1495 C ILE A 105 17.146 25.270 -17.102 1.00 0.00 C ATOM 1496 O ILE A 105 17.303 25.506 -18.307 1.00 0.00 O ATOM 1497 CB ILE A 105 19.650 24.941 -16.967 1.00 0.00 C ATOM 1498 CG1 ILE A 105 19.812 23.619 -17.720 1.00 0.00 C ATOM 1499 CG2 ILE A 105 20.759 25.128 -15.936 1.00 0.00 C ATOM 1500 CD1 ILE A 105 20.966 23.568 -18.701 1.00 0.00 C ATOM 0 H ILE A 105 17.839 23.177 -15.772 1.00 0.00 H new ATOM 0 HA ILE A 105 18.462 26.090 -15.643 1.00 0.00 H new ATOM 0 HB ILE A 105 19.672 25.658 -17.788 1.00 0.00 H new ATOM 0 HG12 ILE A 105 19.941 22.819 -16.991 1.00 0.00 H new ATOM 0 HG13 ILE A 105 18.888 23.412 -18.260 1.00 0.00 H new ATOM 0 HG21 ILE A 105 21.728 24.989 -16.415 1.00 0.00 H new ATOM 0 HG22 ILE A 105 20.701 26.133 -15.518 1.00 0.00 H new ATOM 0 HG23 ILE A 105 20.641 24.395 -15.138 1.00 0.00 H new ATOM 0 HD11 ILE A 105 20.993 22.590 -19.181 1.00 0.00 H new ATOM 0 HD12 ILE A 105 20.834 24.340 -19.459 1.00 0.00 H new ATOM 0 HD13 ILE A 105 21.903 23.737 -18.170 1.00 0.00 H new ATOM 1512 N LYS A 106 15.915 25.043 -16.648 1.00 0.00 N ATOM 1513 CA LYS A 106 14.706 25.063 -17.450 1.00 0.00 C ATOM 1514 C LYS A 106 14.336 26.529 -17.665 1.00 0.00 C ATOM 1515 O LYS A 106 13.988 26.930 -18.768 1.00 0.00 O ATOM 1516 CB LYS A 106 13.501 24.276 -16.945 1.00 0.00 C ATOM 1517 CG LYS A 106 12.989 24.617 -15.538 1.00 0.00 C ATOM 1518 CD LYS A 106 12.207 23.601 -14.731 1.00 0.00 C ATOM 1519 CE LYS A 106 11.731 24.186 -13.416 1.00 0.00 C ATOM 1520 NZ LYS A 106 10.842 23.303 -12.628 1.00 0.00 N ATOM 0 H LYS A 106 15.731 24.831 -15.667 1.00 0.00 H new ATOM 0 HA LYS A 106 14.952 24.531 -18.369 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.682 24.422 -17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.755 23.216 -16.966 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.856 24.901 -14.942 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.362 25.504 -15.631 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.350 23.257 -15.309 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.832 22.729 -14.538 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.602 24.436 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.206 25.119 -13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.567 23.784 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.990 23.083 -13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.343 22.421 -12.399 1.00 0.00 H new ATOM 1534 N GLU A 107 14.434 27.356 -16.633 1.00 0.00 N ATOM 1535 CA GLU A 107 14.465 28.804 -16.696 1.00 0.00 C ATOM 1536 C GLU A 107 15.854 29.268 -17.117 1.00 0.00 C ATOM 1537 O GLU A 107 16.060 30.421 -17.508 1.00 0.00 O ATOM 1538 CB GLU A 107 14.124 29.397 -15.332 1.00 0.00 C ATOM 1539 CG GLU A 107 12.700 29.044 -14.931 1.00 0.00 C ATOM 1540 CD GLU A 107 12.324 29.578 -13.549 1.00 0.00 C ATOM 1541 OE1 GLU A 107 12.690 29.013 -12.492 1.00 0.00 O ATOM 1542 OE2 GLU A 107 11.735 30.677 -13.481 1.00 0.00 O ATOM 0 H GLU A 107 14.497 27.010 -15.676 1.00 0.00 H new ATOM 0 HA GLU A 107 13.729 29.141 -17.426 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.821 29.022 -14.583 1.00 0.00 H new ATOM 0 HB3 GLU A 107 14.240 30.480 -15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.009 29.446 -15.671 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.583 27.960 -14.941 1.00 0.00 H new ATOM 1549 N GLY A 108 16.869 28.415 -16.978 1.00 0.00 N ATOM 1550 CA GLY A 108 18.251 28.780 -17.204 1.00 0.00 C ATOM 1551 C GLY A 108 18.837 28.469 -18.577 1.00 0.00 C ATOM 1552 O GLY A 108 18.116 28.309 -19.564 1.00 0.00 O ATOM 0 H GLY A 108 16.744 27.441 -16.702 1.00 0.00 H new ATOM 0 HA2 GLY A 108 18.351 29.851 -17.029 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.861 28.276 -16.454 1.00 0.00 H new ATOM 1556 N LYS A 109 20.158 28.354 -18.636 1.00 0.00 N ATOM 1557 CA LYS A 109 20.962 27.997 -19.794 1.00 0.00 C ATOM 1558 C LYS A 109 22.134 27.144 -19.364 1.00 0.00 C ATOM 1559 O LYS A 109 22.574 27.223 -18.217 1.00 0.00 O ATOM 1560 CB LYS A 109 21.296 29.350 -20.441 1.00 0.00 C ATOM 1561 CG LYS A 109 21.964 29.137 -21.794 1.00 0.00 C ATOM 1562 CD LYS A 109 22.337 30.434 -22.518 1.00 0.00 C ATOM 1563 CE LYS A 109 21.195 31.382 -22.830 1.00 0.00 C ATOM 1564 NZ LYS A 109 21.666 32.564 -23.577 1.00 0.00 N ATOM 0 H LYS A 109 20.737 28.521 -17.813 1.00 0.00 H new ATOM 0 HA LYS A 109 20.469 27.367 -20.534 1.00 0.00 H new ATOM 0 HB2 LYS A 109 20.386 29.936 -20.565 1.00 0.00 H new ATOM 0 HB3 LYS A 109 21.956 29.921 -19.787 1.00 0.00 H new ATOM 0 HG2 LYS A 109 22.865 28.540 -21.652 1.00 0.00 H new ATOM 0 HG3 LYS A 109 21.295 28.558 -22.430 1.00 0.00 H new ATOM 0 HD2 LYS A 109 23.068 30.967 -21.910 1.00 0.00 H new ATOM 0 HD3 LYS A 109 22.831 30.173 -23.454 1.00 0.00 H new ATOM 0 HE2 LYS A 109 20.436 30.860 -23.413 1.00 0.00 H new ATOM 0 HE3 LYS A 109 20.721 31.701 -21.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 20.862 33.193 -23.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 22.373 33.074 -23.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 22.096 32.259 -24.474 1.00 0.00 H new ATOM 1578 N LYS A 110 22.633 26.263 -20.234 1.00 0.00 N ATOM 1579 CA LYS A 110 23.866 25.528 -19.989 1.00 0.00 C ATOM 1580 C LYS A 110 25.144 26.343 -19.961 1.00 0.00 C ATOM 1581 O LYS A 110 25.948 26.250 -20.878 1.00 0.00 O ATOM 1582 CB LYS A 110 23.763 24.197 -20.720 1.00 0.00 C ATOM 1583 CG LYS A 110 24.684 23.145 -20.102 1.00 0.00 C ATOM 1584 CD LYS A 110 24.451 21.713 -20.575 1.00 0.00 C ATOM 1585 CE LYS A 110 25.608 20.789 -20.196 1.00 0.00 C ATOM 1586 NZ LYS A 110 25.129 19.385 -20.175 1.00 0.00 N ATOM 0 H LYS A 110 22.191 26.042 -21.126 1.00 0.00 H new ATOM 0 HA LYS A 110 23.985 25.249 -18.942 1.00 0.00 H new ATOM 0 HB2 LYS A 110 22.733 23.843 -20.689 1.00 0.00 H new ATOM 0 HB3 LYS A 110 24.021 24.336 -21.770 1.00 0.00 H new ATOM 0 HG2 LYS A 110 25.717 23.418 -20.319 1.00 0.00 H new ATOM 0 HG3 LYS A 110 24.567 23.176 -19.019 1.00 0.00 H new ATOM 0 HD2 LYS A 110 23.527 21.333 -20.140 1.00 0.00 H new ATOM 0 HD3 LYS A 110 24.321 21.705 -21.657 1.00 0.00 H new ATOM 0 HE2 LYS A 110 26.423 20.896 -20.911 1.00 0.00 H new ATOM 0 HE3 LYS A 110 26.003 21.065 -19.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 25.915 18.754 -19.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 24.365 19.289 -19.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 24.772 19.126 -21.117 1.00 0.00 H new ATOM 1600 N LEU A 111 25.330 27.225 -18.972 1.00 0.00 N ATOM 1601 CA LEU A 111 26.496 28.038 -18.694 1.00 0.00 C ATOM 1602 C LEU A 111 27.605 27.099 -18.238 1.00 0.00 C ATOM 1603 O LEU A 111 27.331 25.935 -17.926 1.00 0.00 O ATOM 1604 CB LEU A 111 26.200 29.130 -17.676 1.00 0.00 C ATOM 1605 CG LEU A 111 25.029 30.075 -17.886 1.00 0.00 C ATOM 1606 CD1 LEU A 111 25.037 31.235 -16.880 1.00 0.00 C ATOM 1607 CD2 LEU A 111 24.895 30.559 -19.323 1.00 0.00 C ATOM 0 H LEU A 111 24.593 27.395 -18.288 1.00 0.00 H new ATOM 0 HA LEU A 111 26.810 28.570 -19.592 1.00 0.00 H new ATOM 0 HB2 LEU A 111 26.052 28.642 -16.713 1.00 0.00 H new ATOM 0 HB3 LEU A 111 27.098 29.742 -17.589 1.00 0.00 H new ATOM 0 HG LEU A 111 24.133 29.487 -17.690 1.00 0.00 H new ATOM 0 HD11 LEU A 111 24.182 31.885 -17.067 1.00 0.00 H new ATOM 0 HD12 LEU A 111 24.976 30.838 -15.867 1.00 0.00 H new ATOM 0 HD13 LEU A 111 25.959 31.806 -16.991 1.00 0.00 H new ATOM 0 HD21 LEU A 111 24.040 31.230 -19.403 1.00 0.00 H new ATOM 0 HD22 LEU A 111 25.801 31.090 -19.614 1.00 0.00 H new ATOM 0 HD23 LEU A 111 24.748 29.704 -19.983 1.00 0.00 H new ATOM 1619 N GLU A 112 28.819 27.634 -18.240 1.00 0.00 N ATOM 1620 CA GLU A 112 30.041 26.900 -17.979 1.00 0.00 C ATOM 1621 C GLU A 112 30.046 26.092 -16.694 1.00 0.00 C ATOM 1622 O GLU A 112 30.731 25.076 -16.634 1.00 0.00 O ATOM 1623 CB GLU A 112 31.304 27.735 -18.129 1.00 0.00 C ATOM 1624 CG GLU A 112 31.503 28.639 -16.919 1.00 0.00 C ATOM 1625 CD GLU A 112 32.880 29.270 -17.063 1.00 0.00 C ATOM 1626 OE1 GLU A 112 32.931 30.244 -17.861 1.00 0.00 O ATOM 1627 OE2 GLU A 112 33.797 28.989 -16.271 1.00 0.00 O ATOM 0 H GLU A 112 28.981 28.623 -18.430 1.00 0.00 H new ATOM 0 HA GLU A 112 30.055 26.162 -18.781 1.00 0.00 H new ATOM 0 HB2 GLU A 112 32.167 27.079 -18.244 1.00 0.00 H new ATOM 0 HB3 GLU A 112 31.240 28.340 -19.034 1.00 0.00 H new ATOM 0 HG2 GLU A 112 30.729 29.405 -16.878 1.00 0.00 H new ATOM 0 HG3 GLU A 112 31.435 28.067 -15.994 1.00 0.00 H new ATOM 1634 N HIS A 113 29.378 26.549 -15.635 1.00 0.00 N ATOM 1635 CA HIS A 113 29.686 26.041 -14.323 1.00 0.00 C ATOM 1636 C HIS A 113 28.967 24.731 -14.058 1.00 0.00 C ATOM 1637 O HIS A 113 28.869 24.248 -12.926 1.00 0.00 O ATOM 1638 CB HIS A 113 29.412 27.142 -13.302 1.00 0.00 C ATOM 1639 CG HIS A 113 27.956 27.440 -13.107 1.00 0.00 C ATOM 1640 ND1 HIS A 113 27.152 26.928 -12.080 1.00 0.00 N ATOM 1641 CD2 HIS A 113 27.179 28.161 -13.987 1.00 0.00 C ATOM 1642 CE1 HIS A 113 25.924 27.360 -12.369 1.00 0.00 C ATOM 1643 NE2 HIS A 113 25.898 28.129 -13.474 1.00 0.00 N ATOM 0 H HIS A 113 28.640 27.252 -15.669 1.00 0.00 H new ATOM 0 HA HIS A 113 30.742 25.784 -14.241 1.00 0.00 H new ATOM 0 HB2 HIS A 113 29.845 26.852 -12.345 1.00 0.00 H new ATOM 0 HB3 HIS A 113 29.920 28.053 -13.619 1.00 0.00 H new ATOM 0 HD2 HIS A 113 27.505 28.651 -14.893 1.00 0.00 H new ATOM 0 HE1 HIS A 113 25.049 27.120 -11.783 1.00 0.00 H new ATOM 0 HE2 HIS A 113 25.081 28.601 -13.861 1.00 0.00 H new ATOM 1651 N HIS A 114 28.343 24.163 -15.104 1.00 0.00 N ATOM 1652 CA HIS A 114 27.218 23.250 -15.002 1.00 0.00 C ATOM 1653 C HIS A 114 27.686 21.810 -14.809 1.00 0.00 C ATOM 1654 O HIS A 114 27.028 21.078 -14.028 1.00 0.00 O ATOM 1655 CB HIS A 114 26.386 23.279 -16.278 1.00 0.00 C ATOM 1656 CG HIS A 114 25.077 22.556 -16.130 1.00 0.00 C ATOM 1657 ND1 HIS A 114 24.616 21.542 -16.987 1.00 0.00 N ATOM 1658 CD2 HIS A 114 24.129 22.767 -15.172 1.00 0.00 C ATOM 1659 CE1 HIS A 114 23.485 21.075 -16.449 1.00 0.00 C ATOM 1660 NE2 HIS A 114 23.105 21.889 -15.449 1.00 0.00 N ATOM 0 H HIS A 114 28.625 24.339 -16.068 1.00 0.00 H new ATOM 0 HA HIS A 114 26.630 23.575 -14.144 1.00 0.00 H new ATOM 0 HB2 HIS A 114 26.195 24.315 -16.560 1.00 0.00 H new ATOM 0 HB3 HIS A 114 26.956 22.828 -17.090 1.00 0.00 H new ATOM 0 HD2 HIS A 114 24.173 23.479 -14.361 1.00 0.00 H new ATOM 0 HE1 HIS A 114 22.960 20.186 -16.767 1.00 0.00 H new ATOM 0 HE2 HIS A 114 22.204 21.861 -14.972 1.00 0.00 H new TER 1668 HIS A 114