USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 914 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 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 68 CYS SG : rot -127:sc= 0.195 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc=-0.00917 USER MOD Set 3.1: A 17 MET CE :methyl -132:sc= -4.4 (180deg=-10.5!) USER MOD Set 3.2: A 49 SER OG : rot -39:sc= 1.18 USER MOD Set 3.3: A 64 HIS : no HD1:sc= -6.12! C(o=-9.3!,f=-20!) USER MOD Set 4.1: A 21 GLN :FLIP amide:sc=-0.00999 F(o=-3.2,f=-1.6) USER MOD Set 4.2: A 24 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.2!) USER MOD Set 5.1: A 13 TYR OH : rot 150:sc= 0.334 USER MOD Set 5.2: A 15 LYS NZ :NH3+ -123:sc= 1.68 (180deg=0.112) USER MOD Single : A 1 THR N :NH3+ 137:sc= 0.342 (180deg=0.0624) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 6 SER OG : rot 48:sc= 0.663 USER MOD Single : A 9 MET CE :methyl -143:sc= -3.71 (180deg=-7.09!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.436 USER MOD Single : A 16 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.12) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -1.12 (180deg=-1.23) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -150:sc= 0.0218 USER MOD Single : A 41 SER OG : rot 180:sc= -0.397 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 0.265 (180deg=0.032) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 65 TYR OH : rot 15:sc= 0 USER MOD Single : A 69 SER OG : rot 60:sc= -4.39! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.89! USER MOD Single : A 72 GLN : amide:sc= -1.25 K(o=-1.3,f=-4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.21 F(o=-9.2!,f=-5.2) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.435 K(o=-0.43,f=-1.2) USER MOD Single : A 84 SER OG : rot -7:sc= 0.953 USER MOD Single : A 85 THR OG1 : rot -44:sc= -0.323! USER MOD Single : A 91 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.1) USER MOD Single : A 95 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-2.5) USER MOD Single : A 96 ASN : amide:sc= -0.844 K(o=-0.84,f=-1.7) USER MOD Single : A 97 SER OG : rot -32:sc= 2.12 USER MOD Single : A 102 SER OG : rot -63:sc= 1.15 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -75:sc= -6.85! USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -106:sc= 0.474 (180deg=-0.891) USER MOD Single : A 114 ASN :FLIP amide:sc= 0.831 F(o=-0.41,f=0.83) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 16.717 -8.358 -16.324 1.00 0.00 N ATOM 2 CA THR A 1 16.199 -6.969 -16.149 1.00 0.00 C ATOM 3 C THR A 1 15.326 -6.884 -14.894 1.00 0.00 C ATOM 4 O THR A 1 14.544 -7.769 -14.609 1.00 0.00 O ATOM 5 CB THR A 1 15.366 -6.692 -17.401 1.00 0.00 C ATOM 6 OG1 THR A 1 16.045 -7.196 -18.542 1.00 0.00 O ATOM 7 CG2 THR A 1 15.161 -5.184 -17.551 1.00 0.00 C ATOM 0 H1 THR A 1 16.643 -8.633 -17.324 1.00 0.00 H new ATOM 0 H2 THR A 1 17.713 -8.397 -16.027 1.00 0.00 H new ATOM 0 H3 THR A 1 16.157 -9.013 -15.742 1.00 0.00 H new ATOM 0 HA THR A 1 17.003 -6.243 -16.027 1.00 0.00 H new ATOM 0 HB THR A 1 14.397 -7.183 -17.311 1.00 0.00 H new ATOM 0 HG1 THR A 1 15.511 -7.020 -19.345 1.00 0.00 H new ATOM 0 HG21 THR A 1 14.567 -4.984 -18.443 1.00 0.00 H new ATOM 0 HG22 THR A 1 14.640 -4.799 -16.675 1.00 0.00 H new ATOM 0 HG23 THR A 1 16.130 -4.692 -17.642 1.00 0.00 H new ATOM 15 N GLU A 2 15.456 -5.824 -14.143 1.00 0.00 N ATOM 16 CA GLU A 2 14.637 -5.675 -12.904 1.00 0.00 C ATOM 17 C GLU A 2 14.684 -4.226 -12.411 1.00 0.00 C ATOM 18 O GLU A 2 15.724 -3.721 -12.035 1.00 0.00 O ATOM 19 CB GLU A 2 15.282 -6.615 -11.881 1.00 0.00 C ATOM 20 CG GLU A 2 16.749 -6.227 -11.669 1.00 0.00 C ATOM 21 CD GLU A 2 17.599 -7.492 -11.532 1.00 0.00 C ATOM 22 OE1 GLU A 2 17.616 -8.055 -10.449 1.00 0.00 O ATOM 23 OE2 GLU A 2 18.218 -7.876 -12.510 1.00 0.00 O ATOM 0 H GLU A 2 16.095 -5.053 -14.334 1.00 0.00 H new ATOM 0 HA GLU A 2 13.588 -5.919 -13.072 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.743 -6.563 -10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.216 -7.646 -12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.102 -5.628 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.848 -5.612 -10.775 1.00 0.00 H new ATOM 30 N ALA A 3 13.565 -3.553 -12.411 1.00 0.00 N ATOM 31 CA ALA A 3 13.542 -2.136 -11.945 1.00 0.00 C ATOM 32 C ALA A 3 12.109 -1.703 -11.635 1.00 0.00 C ATOM 33 O ALA A 3 11.178 -2.477 -11.743 1.00 0.00 O ATOM 34 CB ALA A 3 14.108 -1.325 -13.111 1.00 0.00 C ATOM 0 H ALA A 3 12.664 -3.924 -12.714 1.00 0.00 H new ATOM 0 HA ALA A 3 14.120 -1.993 -11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 3 14.124 -0.268 -12.845 1.00 0.00 H new ATOM 0 HB2 ALA A 3 15.122 -1.660 -13.329 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.482 -1.468 -13.992 1.00 0.00 H new ATOM 40 N GLU A 4 11.925 -0.470 -11.245 1.00 0.00 N ATOM 41 CA GLU A 4 10.553 0.020 -10.921 1.00 0.00 C ATOM 42 C GLU A 4 10.573 1.535 -10.696 1.00 0.00 C ATOM 43 O GLU A 4 9.833 2.060 -9.886 1.00 0.00 O ATOM 44 CB GLU A 4 10.162 -0.707 -9.631 1.00 0.00 C ATOM 45 CG GLU A 4 11.260 -0.522 -8.578 1.00 0.00 C ATOM 46 CD GLU A 4 10.634 -0.325 -7.193 1.00 0.00 C ATOM 47 OE1 GLU A 4 9.453 -0.018 -7.131 1.00 0.00 O ATOM 48 OE2 GLU A 4 11.347 -0.482 -6.216 1.00 0.00 O ATOM 0 H GLU A 4 12.667 0.221 -11.136 1.00 0.00 H new ATOM 0 HA GLU A 4 9.846 -0.174 -11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.216 -0.317 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.013 -1.768 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.916 -1.392 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.877 0.340 -8.833 1.00 0.00 H new ATOM 55 N ASP A 5 11.412 2.239 -11.408 1.00 0.00 N ATOM 56 CA ASP A 5 11.479 3.719 -11.236 1.00 0.00 C ATOM 57 C ASP A 5 10.208 4.375 -11.786 1.00 0.00 C ATOM 58 O ASP A 5 9.555 5.144 -11.109 1.00 0.00 O ATOM 59 CB ASP A 5 12.702 4.162 -12.040 1.00 0.00 C ATOM 60 CG ASP A 5 13.630 4.992 -11.149 1.00 0.00 C ATOM 61 OD1 ASP A 5 13.954 4.527 -10.069 1.00 0.00 O ATOM 62 OD2 ASP A 5 14.000 6.079 -11.563 1.00 0.00 O ATOM 0 H ASP A 5 12.053 1.853 -12.101 1.00 0.00 H new ATOM 0 HA ASP A 5 11.557 4.007 -10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.233 3.291 -12.423 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.389 4.749 -12.903 1.00 0.00 H new ATOM 67 N SER A 6 9.855 4.075 -13.008 1.00 0.00 N ATOM 68 CA SER A 6 8.628 4.682 -13.601 1.00 0.00 C ATOM 69 C SER A 6 8.156 3.856 -14.801 1.00 0.00 C ATOM 70 O SER A 6 8.409 4.200 -15.939 1.00 0.00 O ATOM 71 CB SER A 6 9.055 6.079 -14.045 1.00 0.00 C ATOM 72 OG SER A 6 10.152 5.972 -14.943 1.00 0.00 O ATOM 0 H SER A 6 10.363 3.437 -13.620 1.00 0.00 H new ATOM 0 HA SER A 6 7.799 4.715 -12.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.222 6.590 -14.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.336 6.678 -13.179 1.00 0.00 H new ATOM 0 HG SER A 6 9.954 5.293 -15.621 1.00 0.00 H new ATOM 78 N ILE A 7 7.473 2.770 -14.556 1.00 0.00 N ATOM 79 CA ILE A 7 6.983 1.923 -15.682 1.00 0.00 C ATOM 80 C ILE A 7 5.473 1.699 -15.557 1.00 0.00 C ATOM 81 O ILE A 7 4.694 2.229 -16.325 1.00 0.00 O ATOM 82 CB ILE A 7 7.741 0.601 -15.543 1.00 0.00 C ATOM 83 CG1 ILE A 7 9.243 0.856 -15.697 1.00 0.00 C ATOM 84 CG2 ILE A 7 7.281 -0.374 -16.629 1.00 0.00 C ATOM 85 CD1 ILE A 7 10.025 -0.253 -14.990 1.00 0.00 C ATOM 0 H ILE A 7 7.233 2.432 -13.624 1.00 0.00 H new ATOM 0 HA ILE A 7 7.153 2.387 -16.654 1.00 0.00 H new ATOM 0 HB ILE A 7 7.540 0.172 -14.561 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.511 0.888 -16.753 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.503 1.826 -15.273 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.823 -1.314 -16.527 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.212 -0.558 -16.524 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.480 0.055 -17.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.094 -0.071 -15.100 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.766 -0.263 -13.931 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.773 -1.216 -15.434 1.00 0.00 H new ATOM 97 N GLU A 8 5.054 0.917 -14.597 1.00 0.00 N ATOM 98 CA GLU A 8 3.597 0.657 -14.424 1.00 0.00 C ATOM 99 C GLU A 8 2.875 1.945 -14.021 1.00 0.00 C ATOM 100 O GLU A 8 3.190 2.557 -13.019 1.00 0.00 O ATOM 101 CB GLU A 8 3.507 -0.383 -13.306 1.00 0.00 C ATOM 102 CG GLU A 8 4.198 -1.673 -13.754 1.00 0.00 C ATOM 103 CD GLU A 8 4.740 -2.416 -12.531 1.00 0.00 C ATOM 104 OE1 GLU A 8 3.975 -2.631 -11.605 1.00 0.00 O ATOM 105 OE2 GLU A 8 5.910 -2.760 -12.542 1.00 0.00 O ATOM 0 H GLU A 8 5.660 0.447 -13.925 1.00 0.00 H new ATOM 0 HA GLU A 8 3.129 0.305 -15.343 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.978 -0.001 -12.400 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.463 -0.582 -13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.494 -2.306 -14.294 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.011 -1.442 -14.442 1.00 0.00 H new ATOM 112 N MET A 9 1.910 2.364 -14.797 1.00 0.00 N ATOM 113 CA MET A 9 1.170 3.611 -14.467 1.00 0.00 C ATOM 114 C MET A 9 -0.336 3.337 -14.416 1.00 0.00 C ATOM 115 O MET A 9 -1.142 4.226 -14.605 1.00 0.00 O ATOM 116 CB MET A 9 1.490 4.592 -15.600 1.00 0.00 C ATOM 117 CG MET A 9 3.009 4.739 -15.760 1.00 0.00 C ATOM 118 SD MET A 9 3.434 4.784 -17.520 1.00 0.00 S ATOM 119 CE MET A 9 2.725 3.180 -17.969 1.00 0.00 C ATOM 0 H MET A 9 1.604 1.892 -15.648 1.00 0.00 H new ATOM 0 HA MET A 9 1.460 4.007 -13.494 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.051 4.237 -16.533 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.044 5.563 -15.387 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.350 5.651 -15.270 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.518 3.907 -15.274 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.358 2.698 -18.713 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.662 2.549 -17.082 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.727 3.326 -18.382 1.00 0.00 H new ATOM 129 N TYR A 10 -0.720 2.111 -14.169 1.00 0.00 N ATOM 130 CA TYR A 10 -2.176 1.777 -14.113 1.00 0.00 C ATOM 131 C TYR A 10 -2.916 2.737 -13.168 1.00 0.00 C ATOM 132 O TYR A 10 -3.388 3.778 -13.581 1.00 0.00 O ATOM 133 CB TYR A 10 -2.235 0.338 -13.593 1.00 0.00 C ATOM 134 CG TYR A 10 -1.807 -0.611 -14.686 1.00 0.00 C ATOM 135 CD1 TYR A 10 -2.755 -1.127 -15.577 1.00 0.00 C ATOM 136 CD2 TYR A 10 -0.460 -0.976 -14.808 1.00 0.00 C ATOM 137 CE1 TYR A 10 -2.358 -2.007 -16.591 1.00 0.00 C ATOM 138 CE2 TYR A 10 -0.063 -1.856 -15.822 1.00 0.00 C ATOM 139 CZ TYR A 10 -1.012 -2.371 -16.713 1.00 0.00 C ATOM 140 OH TYR A 10 -0.620 -3.238 -17.713 1.00 0.00 O ATOM 0 H TYR A 10 -0.089 1.327 -14.004 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.658 1.874 -15.086 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.585 0.227 -12.725 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.247 0.100 -13.266 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.794 -0.846 -15.482 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.272 -0.579 -14.120 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.090 -2.405 -17.279 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.975 -2.137 -15.917 1.00 0.00 H new ATOM 0 HH TYR A 10 0.347 -3.385 -17.658 1.00 0.00 H new ATOM 150 N GLU A 11 -3.023 2.404 -11.905 1.00 0.00 N ATOM 151 CA GLU A 11 -3.732 3.310 -10.955 1.00 0.00 C ATOM 152 C GLU A 11 -3.142 3.183 -9.551 1.00 0.00 C ATOM 153 O GLU A 11 -2.887 4.160 -8.875 1.00 0.00 O ATOM 154 CB GLU A 11 -5.183 2.821 -10.938 1.00 0.00 C ATOM 155 CG GLU A 11 -6.131 3.999 -10.715 1.00 0.00 C ATOM 156 CD GLU A 11 -6.013 4.986 -11.880 1.00 0.00 C ATOM 157 OE1 GLU A 11 -5.851 4.533 -13.000 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.087 6.177 -11.629 1.00 0.00 O ATOM 0 H GLU A 11 -2.651 1.548 -11.494 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.643 4.353 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.420 2.327 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.317 2.082 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.157 3.641 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.890 4.499 -9.777 1.00 0.00 H new ATOM 165 N TRP A 12 -2.950 1.976 -9.101 1.00 0.00 N ATOM 166 CA TRP A 12 -2.411 1.753 -7.730 1.00 0.00 C ATOM 167 C TRP A 12 -1.095 2.503 -7.505 1.00 0.00 C ATOM 168 O TRP A 12 -0.692 2.722 -6.382 1.00 0.00 O ATOM 169 CB TRP A 12 -2.184 0.241 -7.632 1.00 0.00 C ATOM 170 CG TRP A 12 -1.245 -0.202 -8.709 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.617 -0.771 -9.879 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.209 -0.124 -8.736 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.483 -1.047 -10.622 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.667 -0.666 -9.959 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.165 0.360 -7.825 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.026 -0.726 -10.269 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.534 0.302 -8.133 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.963 -0.240 -9.353 1.00 0.00 C ATOM 0 H TRP A 12 -3.145 1.125 -9.629 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.101 2.124 -6.972 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.775 -0.012 -6.654 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.134 -0.285 -7.726 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.633 -0.976 -10.183 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.495 -1.479 -11.546 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.844 0.779 -6.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.351 -1.145 -11.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.260 0.677 -7.427 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.017 -0.282 -9.585 1.00 0.00 H new ATOM 189 N TYR A 13 -0.416 2.893 -8.546 1.00 0.00 N ATOM 190 CA TYR A 13 0.879 3.613 -8.349 1.00 0.00 C ATOM 191 C TYR A 13 0.640 5.104 -8.098 1.00 0.00 C ATOM 192 O TYR A 13 -0.201 5.722 -8.721 1.00 0.00 O ATOM 193 CB TYR A 13 1.660 3.401 -9.647 1.00 0.00 C ATOM 194 CG TYR A 13 3.111 3.760 -9.426 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.788 3.288 -8.292 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.781 4.563 -10.355 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.131 3.622 -8.088 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.126 4.896 -10.151 1.00 0.00 C ATOM 199 CZ TYR A 13 5.800 4.426 -9.018 1.00 0.00 C ATOM 200 OH TYR A 13 7.126 4.752 -8.817 1.00 0.00 O ATOM 0 H TYR A 13 -0.695 2.748 -9.516 1.00 0.00 H new ATOM 0 HA TYR A 13 1.423 3.237 -7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.576 2.363 -9.969 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.239 4.016 -10.442 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.272 2.666 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.261 4.926 -11.229 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.651 3.260 -7.214 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.643 5.516 -10.868 1.00 0.00 H new ATOM 0 HH TYR A 13 7.568 4.873 -9.683 1.00 0.00 H new ATOM 210 N SER A 14 1.376 5.685 -7.181 1.00 0.00 N ATOM 211 CA SER A 14 1.194 7.136 -6.882 1.00 0.00 C ATOM 212 C SER A 14 2.505 7.757 -6.390 1.00 0.00 C ATOM 213 O SER A 14 3.170 7.228 -5.522 1.00 0.00 O ATOM 214 CB SER A 14 0.144 7.186 -5.777 1.00 0.00 C ATOM 215 OG SER A 14 -0.933 6.322 -6.110 1.00 0.00 O ATOM 0 H SER A 14 2.094 5.216 -6.629 1.00 0.00 H new ATOM 0 HA SER A 14 0.891 7.695 -7.767 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.585 6.885 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.219 8.206 -5.651 1.00 0.00 H new ATOM 0 HG SER A 14 -1.608 6.352 -5.400 1.00 0.00 H new ATOM 221 N LYS A 15 2.876 8.875 -6.948 1.00 0.00 N ATOM 222 CA LYS A 15 4.142 9.549 -6.534 1.00 0.00 C ATOM 223 C LYS A 15 3.992 10.231 -5.173 1.00 0.00 C ATOM 224 O LYS A 15 3.326 11.240 -5.040 1.00 0.00 O ATOM 225 CB LYS A 15 4.401 10.600 -7.616 1.00 0.00 C ATOM 226 CG LYS A 15 5.457 10.084 -8.591 1.00 0.00 C ATOM 227 CD LYS A 15 4.930 8.832 -9.289 1.00 0.00 C ATOM 228 CE LYS A 15 6.098 8.067 -9.902 1.00 0.00 C ATOM 229 NZ LYS A 15 6.658 7.269 -8.777 1.00 0.00 N ATOM 0 H LYS A 15 2.353 9.356 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 15 4.958 8.833 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.477 10.822 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.737 11.531 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.695 10.852 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.380 9.856 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.401 8.200 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.214 9.108 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.766 7.424 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.843 8.747 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.664 7.502 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.141 7.492 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.560 6.255 -8.988 1.00 0.00 H new ATOM 243 N HIS A 16 4.630 9.694 -4.170 1.00 0.00 N ATOM 244 CA HIS A 16 4.570 10.302 -2.807 1.00 0.00 C ATOM 245 C HIS A 16 3.126 10.451 -2.331 1.00 0.00 C ATOM 246 O HIS A 16 2.726 11.495 -1.854 1.00 0.00 O ATOM 247 CB HIS A 16 5.235 11.674 -2.946 1.00 0.00 C ATOM 248 CG HIS A 16 6.718 11.499 -3.121 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.481 10.740 -2.249 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.593 11.979 -4.064 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.754 10.784 -2.679 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.879 11.526 -3.782 1.00 0.00 N ATOM 0 H HIS A 16 5.198 8.849 -4.236 1.00 0.00 H new ATOM 0 HA HIS A 16 5.072 9.676 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.818 12.207 -3.801 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.032 12.279 -2.063 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.325 12.611 -4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.576 10.280 -2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.733 11.719 -4.305 1.00 0.00 H new ATOM 260 N MET A 17 2.348 9.412 -2.437 1.00 0.00 N ATOM 261 CA MET A 17 0.935 9.495 -1.967 1.00 0.00 C ATOM 262 C MET A 17 0.898 9.335 -0.443 1.00 0.00 C ATOM 263 O MET A 17 1.445 8.398 0.107 1.00 0.00 O ATOM 264 CB MET A 17 0.215 8.336 -2.657 1.00 0.00 C ATOM 265 CG MET A 17 -1.237 8.272 -2.175 1.00 0.00 C ATOM 266 SD MET A 17 -1.372 7.085 -0.817 1.00 0.00 S ATOM 267 CE MET A 17 -0.878 5.615 -1.748 1.00 0.00 C ATOM 0 H MET A 17 2.626 8.511 -2.827 1.00 0.00 H new ATOM 0 HA MET A 17 0.465 10.449 -2.204 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.244 8.469 -3.738 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.723 7.397 -2.438 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.565 9.257 -1.844 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.891 7.977 -2.996 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.584 4.807 -1.554 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.872 5.844 -2.814 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.120 5.306 -1.438 1.00 0.00 H new ATOM 277 N THR A 18 0.276 10.257 0.241 1.00 0.00 N ATOM 278 CA THR A 18 0.220 10.183 1.733 1.00 0.00 C ATOM 279 C THR A 18 -0.582 8.965 2.201 1.00 0.00 C ATOM 280 O THR A 18 -1.600 8.619 1.637 1.00 0.00 O ATOM 281 CB THR A 18 -0.475 11.475 2.165 1.00 0.00 C ATOM 282 OG1 THR A 18 0.051 12.565 1.419 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.229 11.708 3.655 1.00 0.00 C ATOM 0 H THR A 18 -0.198 11.062 -0.169 1.00 0.00 H new ATOM 0 HA THR A 18 1.215 10.078 2.167 1.00 0.00 H new ATOM 0 HB THR A 18 -1.547 11.394 1.982 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.394 13.394 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.723 12.628 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.630 10.870 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.842 11.792 3.838 1.00 0.00 H new ATOM 291 N ARG A 19 -0.125 8.323 3.246 1.00 0.00 N ATOM 292 CA ARG A 19 -0.848 7.128 3.784 1.00 0.00 C ATOM 293 C ARG A 19 -2.305 7.483 4.085 1.00 0.00 C ATOM 294 O ARG A 19 -3.221 6.719 3.834 1.00 0.00 O ATOM 295 CB ARG A 19 -0.114 6.787 5.087 1.00 0.00 C ATOM 296 CG ARG A 19 -0.304 7.924 6.106 1.00 0.00 C ATOM 297 CD ARG A 19 0.662 7.732 7.276 1.00 0.00 C ATOM 298 NE ARG A 19 0.604 9.010 8.039 1.00 0.00 N ATOM 299 CZ ARG A 19 0.335 8.997 9.315 1.00 0.00 C ATOM 300 NH1 ARG A 19 1.274 8.715 10.176 1.00 0.00 N ATOM 301 NH2 ARG A 19 -0.872 9.264 9.731 1.00 0.00 N ATOM 0 H ARG A 19 0.723 8.576 3.753 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.857 6.297 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.496 5.852 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.947 6.638 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.125 8.887 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.332 7.933 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.365 6.887 7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.673 7.529 6.923 1.00 0.00 H new ATOM 0 HE ARG A 19 0.775 9.896 7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.218 8.505 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.064 8.705 11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.607 9.483 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.081 9.254 10.729 1.00 0.00 H new ATOM 315 N SER A 20 -2.508 8.643 4.634 1.00 0.00 N ATOM 316 CA SER A 20 -3.876 9.089 4.983 1.00 0.00 C ATOM 317 C SER A 20 -4.676 9.330 3.704 1.00 0.00 C ATOM 318 O SER A 20 -5.848 9.017 3.627 1.00 0.00 O ATOM 319 CB SER A 20 -3.648 10.372 5.782 1.00 0.00 C ATOM 320 OG SER A 20 -4.493 11.407 5.295 1.00 0.00 O ATOM 0 H SER A 20 -1.770 9.311 4.859 1.00 0.00 H new ATOM 0 HA SER A 20 -4.450 8.362 5.558 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.851 10.193 6.838 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.604 10.677 5.705 1.00 0.00 H new ATOM 0 HG SER A 20 -4.341 12.224 5.814 1.00 0.00 H new ATOM 326 N GLN A 21 -4.045 9.858 2.690 1.00 0.00 N ATOM 327 CA GLN A 21 -4.765 10.083 1.411 1.00 0.00 C ATOM 328 C GLN A 21 -5.216 8.735 0.858 1.00 0.00 C ATOM 329 O GLN A 21 -6.303 8.601 0.333 1.00 0.00 O ATOM 330 CB GLN A 21 -3.748 10.746 0.482 1.00 0.00 C ATOM 331 CG GLN A 21 -3.601 12.221 0.860 1.00 0.00 C ATOM 332 CD GLN A 21 -4.507 13.072 -0.031 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.680 12.615 -0.372 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -4.143 14.163 -0.422 1.00 0.00 N flip ATOM 0 H GLN A 21 -3.065 10.141 2.695 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.651 10.707 1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.785 10.242 0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.073 10.655 -0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.864 12.366 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.563 12.534 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.226 14.520 -0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.755 14.722 -1.017 1.00 0.00 H new ATOM 343 N ALA A 22 -4.394 7.726 0.996 1.00 0.00 N ATOM 344 CA ALA A 22 -4.788 6.380 0.504 1.00 0.00 C ATOM 345 C ALA A 22 -6.000 5.903 1.293 1.00 0.00 C ATOM 346 O ALA A 22 -6.966 5.445 0.732 1.00 0.00 O ATOM 347 CB ALA A 22 -3.582 5.468 0.753 1.00 0.00 C ATOM 0 H ALA A 22 -3.471 7.780 1.427 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.056 6.383 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.812 4.459 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.719 5.849 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.356 5.446 1.819 1.00 0.00 H new ATOM 353 N GLU A 23 -5.957 6.022 2.594 1.00 0.00 N ATOM 354 CA GLU A 23 -7.120 5.582 3.421 1.00 0.00 C ATOM 355 C GLU A 23 -8.399 6.289 2.970 1.00 0.00 C ATOM 356 O GLU A 23 -9.405 5.657 2.712 1.00 0.00 O ATOM 357 CB GLU A 23 -6.773 5.990 4.855 1.00 0.00 C ATOM 358 CG GLU A 23 -5.625 5.126 5.373 1.00 0.00 C ATOM 359 CD GLU A 23 -5.538 5.251 6.895 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.525 4.963 7.551 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.485 5.634 7.379 1.00 0.00 O ATOM 0 H GLU A 23 -5.170 6.403 3.119 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.297 4.510 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.491 7.042 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.646 5.875 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.784 4.085 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.686 5.440 4.918 1.00 0.00 H new ATOM 368 N GLN A 24 -8.377 7.592 2.884 1.00 0.00 N ATOM 369 CA GLN A 24 -9.606 8.317 2.464 1.00 0.00 C ATOM 370 C GLN A 24 -9.943 8.009 1.008 1.00 0.00 C ATOM 371 O GLN A 24 -11.079 7.720 0.690 1.00 0.00 O ATOM 372 CB GLN A 24 -9.314 9.808 2.665 1.00 0.00 C ATOM 373 CG GLN A 24 -8.134 10.249 1.796 1.00 0.00 C ATOM 374 CD GLN A 24 -7.788 11.706 2.111 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.915 12.568 1.266 1.00 0.00 O ATOM 376 NE2 GLN A 24 -7.354 12.018 3.302 1.00 0.00 N ATOM 0 H GLN A 24 -7.568 8.180 3.085 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.471 8.009 3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.198 10.394 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.092 10.002 3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.271 9.610 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.386 10.143 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.247 11.293 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.122 12.986 3.523 1.00 0.00 H new ATOM 385 N LEU A 25 -8.988 8.051 0.115 1.00 0.00 N ATOM 386 CA LEU A 25 -9.332 7.741 -1.295 1.00 0.00 C ATOM 387 C LEU A 25 -9.632 6.247 -1.428 1.00 0.00 C ATOM 388 O LEU A 25 -10.312 5.826 -2.340 1.00 0.00 O ATOM 389 CB LEU A 25 -8.133 8.178 -2.148 1.00 0.00 C ATOM 390 CG LEU A 25 -6.940 7.246 -1.938 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.073 6.034 -2.865 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.649 8.004 -2.270 1.00 0.00 C ATOM 0 H LEU A 25 -8.011 8.281 0.298 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.224 8.269 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.414 8.182 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.851 9.199 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.912 6.908 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.223 5.368 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.996 5.501 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.095 6.370 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.793 7.346 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.678 8.335 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.557 8.871 -1.615 1.00 0.00 H new ATOM 404 N LEU A 26 -9.168 5.444 -0.504 1.00 0.00 N ATOM 405 CA LEU A 26 -9.482 3.991 -0.573 1.00 0.00 C ATOM 406 C LEU A 26 -10.916 3.797 -0.078 1.00 0.00 C ATOM 407 O LEU A 26 -11.768 3.302 -0.789 1.00 0.00 O ATOM 408 CB LEU A 26 -8.488 3.297 0.360 1.00 0.00 C ATOM 409 CG LEU A 26 -7.277 2.801 -0.444 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.199 2.278 0.510 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.709 1.671 -1.383 1.00 0.00 C ATOM 0 H LEU A 26 -8.591 5.731 0.287 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.403 3.584 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.162 3.988 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.971 2.458 0.862 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.875 3.629 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.342 1.928 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.884 3.080 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.602 1.454 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.848 1.321 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.116 0.847 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.472 2.040 -2.069 1.00 0.00 H new ATOM 423 N LYS A 27 -11.193 4.212 1.136 1.00 0.00 N ATOM 424 CA LYS A 27 -12.580 4.080 1.672 1.00 0.00 C ATOM 425 C LYS A 27 -13.577 4.774 0.733 1.00 0.00 C ATOM 426 O LYS A 27 -14.645 4.262 0.460 1.00 0.00 O ATOM 427 CB LYS A 27 -12.550 4.785 3.030 1.00 0.00 C ATOM 428 CG LYS A 27 -13.206 3.892 4.089 1.00 0.00 C ATOM 429 CD LYS A 27 -14.208 4.712 4.906 1.00 0.00 C ATOM 430 CE LYS A 27 -15.281 3.783 5.478 1.00 0.00 C ATOM 431 NZ LYS A 27 -14.729 3.315 6.780 1.00 0.00 N ATOM 0 H LYS A 27 -10.519 4.635 1.775 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.891 3.039 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.521 5.006 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.075 5.738 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.712 3.054 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.445 3.471 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.695 5.233 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.669 5.474 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.226 4.309 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.477 2.946 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.239 2.463 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.719 3.093 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.842 4.063 7.494 1.00 0.00 H new ATOM 445 N GLN A 28 -13.238 5.940 0.247 1.00 0.00 N ATOM 446 CA GLN A 28 -14.170 6.675 -0.666 1.00 0.00 C ATOM 447 C GLN A 28 -14.331 5.942 -2.009 1.00 0.00 C ATOM 448 O GLN A 28 -15.414 5.881 -2.556 1.00 0.00 O ATOM 449 CB GLN A 28 -13.531 8.051 -0.871 1.00 0.00 C ATOM 450 CG GLN A 28 -14.614 9.073 -1.232 1.00 0.00 C ATOM 451 CD GLN A 28 -14.753 10.096 -0.102 1.00 0.00 C ATOM 452 OE1 GLN A 28 -14.893 9.732 1.048 1.00 0.00 O ATOM 453 NE2 GLN A 28 -14.720 11.370 -0.384 1.00 0.00 N ATOM 0 H GLN A 28 -12.357 6.416 0.441 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.171 6.748 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.012 8.361 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.785 8.002 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.356 9.578 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.565 8.567 -1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.602 11.676 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.812 12.060 0.362 1.00 0.00 H new ATOM 462 N GLU A 29 -13.274 5.375 -2.541 1.00 0.00 N ATOM 463 CA GLU A 29 -13.398 4.641 -3.841 1.00 0.00 C ATOM 464 C GLU A 29 -14.435 3.528 -3.672 1.00 0.00 C ATOM 465 O GLU A 29 -15.221 3.253 -4.558 1.00 0.00 O ATOM 466 CB GLU A 29 -11.998 4.083 -4.142 1.00 0.00 C ATOM 467 CG GLU A 29 -11.908 3.635 -5.605 1.00 0.00 C ATOM 468 CD GLU A 29 -11.680 4.850 -6.503 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.622 5.448 -6.399 1.00 0.00 O ATOM 470 OE2 GLU A 29 -12.565 5.161 -7.281 1.00 0.00 O ATOM 0 H GLU A 29 -12.338 5.388 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.731 5.273 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.244 4.844 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.785 3.241 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.093 2.922 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.825 3.123 -5.896 1.00 0.00 H new ATOM 477 N GLY A 30 -14.467 2.918 -2.515 1.00 0.00 N ATOM 478 CA GLY A 30 -15.475 1.858 -2.250 1.00 0.00 C ATOM 479 C GLY A 30 -15.117 0.566 -2.987 1.00 0.00 C ATOM 480 O GLY A 30 -15.981 -0.168 -3.428 1.00 0.00 O ATOM 0 H GLY A 30 -13.833 3.113 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.533 1.666 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.460 2.201 -2.566 1.00 0.00 H new ATOM 484 N LYS A 31 -13.856 0.285 -3.124 1.00 0.00 N ATOM 485 CA LYS A 31 -13.431 -0.959 -3.834 1.00 0.00 C ATOM 486 C LYS A 31 -12.849 -1.968 -2.841 1.00 0.00 C ATOM 487 O LYS A 31 -11.735 -1.812 -2.381 1.00 0.00 O ATOM 488 CB LYS A 31 -12.341 -0.502 -4.802 1.00 0.00 C ATOM 489 CG LYS A 31 -12.807 0.754 -5.545 1.00 0.00 C ATOM 490 CD LYS A 31 -14.030 0.425 -6.406 1.00 0.00 C ATOM 491 CE LYS A 31 -13.662 -0.638 -7.444 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.817 -0.675 -8.384 1.00 0.00 N ATOM 0 H LYS A 31 -13.092 0.864 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.265 -1.446 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.420 -0.294 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.117 -1.296 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.055 1.539 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.002 1.136 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.844 0.065 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.388 1.326 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.739 -0.380 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.503 -1.609 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.639 -1.382 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.680 -0.930 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.940 0.261 -8.820 1.00 0.00 H new ATOM 506 N GLU A 32 -13.576 -3.003 -2.506 1.00 0.00 N ATOM 507 CA GLU A 32 -13.020 -4.000 -1.540 1.00 0.00 C ATOM 508 C GLU A 32 -11.685 -4.538 -2.048 1.00 0.00 C ATOM 509 O GLU A 32 -11.633 -5.469 -2.827 1.00 0.00 O ATOM 510 CB GLU A 32 -14.039 -5.131 -1.426 1.00 0.00 C ATOM 511 CG GLU A 32 -14.488 -5.584 -2.819 1.00 0.00 C ATOM 512 CD GLU A 32 -14.587 -7.111 -2.854 1.00 0.00 C ATOM 513 OE1 GLU A 32 -15.363 -7.652 -2.084 1.00 0.00 O ATOM 514 OE2 GLU A 32 -13.884 -7.713 -3.649 1.00 0.00 O ATOM 0 H GLU A 32 -14.515 -3.200 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.843 -3.541 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.601 -5.971 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.901 -4.796 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.454 -5.141 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.779 -5.238 -3.571 1.00 0.00 H new ATOM 521 N GLY A 33 -10.607 -3.959 -1.603 1.00 0.00 N ATOM 522 CA GLY A 33 -9.272 -4.426 -2.041 1.00 0.00 C ATOM 523 C GLY A 33 -8.588 -3.359 -2.909 1.00 0.00 C ATOM 524 O GLY A 33 -7.736 -3.667 -3.718 1.00 0.00 O ATOM 0 H GLY A 33 -10.597 -3.176 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.654 -4.647 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.371 -5.353 -2.605 1.00 0.00 H new ATOM 528 N GLY A 34 -8.933 -2.107 -2.745 1.00 0.00 N ATOM 529 CA GLY A 34 -8.272 -1.047 -3.564 1.00 0.00 C ATOM 530 C GLY A 34 -6.781 -1.050 -3.244 1.00 0.00 C ATOM 531 O GLY A 34 -6.366 -0.645 -2.179 1.00 0.00 O ATOM 0 H GLY A 34 -9.637 -1.775 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.432 -1.233 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.705 -0.072 -3.343 1.00 0.00 H new ATOM 535 N PHE A 35 -5.983 -1.535 -4.152 1.00 0.00 N ATOM 536 CA PHE A 35 -4.516 -1.611 -3.905 1.00 0.00 C ATOM 537 C PHE A 35 -3.781 -0.381 -4.453 1.00 0.00 C ATOM 538 O PHE A 35 -3.917 -0.029 -5.606 1.00 0.00 O ATOM 539 CB PHE A 35 -4.087 -2.869 -4.663 1.00 0.00 C ATOM 540 CG PHE A 35 -2.618 -3.133 -4.436 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.661 -2.480 -5.221 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.213 -4.034 -3.444 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.299 -2.728 -5.017 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.850 -4.282 -3.240 1.00 0.00 C ATOM 545 CZ PHE A 35 0.106 -3.629 -4.025 1.00 0.00 C ATOM 0 H PHE A 35 -6.285 -1.885 -5.061 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.281 -1.643 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.675 -3.724 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.282 -2.746 -5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.974 -1.784 -5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.951 -4.537 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.439 -2.225 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.537 -4.978 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.157 -3.820 -3.866 1.00 0.00 H new ATOM 555 N ILE A 36 -2.988 0.264 -3.631 1.00 0.00 N ATOM 556 CA ILE A 36 -2.221 1.455 -4.101 1.00 0.00 C ATOM 557 C ILE A 36 -0.781 1.374 -3.581 1.00 0.00 C ATOM 558 O ILE A 36 -0.494 0.652 -2.647 1.00 0.00 O ATOM 559 CB ILE A 36 -2.938 2.664 -3.500 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.378 2.714 -4.021 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.203 3.946 -3.909 1.00 0.00 C ATOM 562 CD1 ILE A 36 -5.085 3.947 -3.456 1.00 0.00 C ATOM 0 H ILE A 36 -2.840 0.014 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.176 1.517 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.947 2.579 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.380 2.748 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.913 1.810 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.712 4.810 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.178 3.911 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.196 4.030 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.109 3.981 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.095 3.894 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.555 4.846 -3.770 1.00 0.00 H new ATOM 574 N VAL A 37 0.124 2.105 -4.173 1.00 0.00 N ATOM 575 CA VAL A 37 1.539 2.066 -3.702 1.00 0.00 C ATOM 576 C VAL A 37 2.204 3.429 -3.910 1.00 0.00 C ATOM 577 O VAL A 37 1.765 4.226 -4.715 1.00 0.00 O ATOM 578 CB VAL A 37 2.232 1.003 -4.558 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.676 0.833 -4.079 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.494 -0.331 -4.423 1.00 0.00 C ATOM 0 H VAL A 37 -0.054 2.727 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 37 1.603 1.833 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 37 2.223 1.316 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.174 0.077 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.205 1.781 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.679 0.520 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.990 -1.085 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.501 -0.647 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.464 -0.213 -4.759 1.00 0.00 H new ATOM 590 N ARG A 38 3.261 3.701 -3.191 1.00 0.00 N ATOM 591 CA ARG A 38 3.954 5.015 -3.351 1.00 0.00 C ATOM 592 C ARG A 38 5.377 4.947 -2.790 1.00 0.00 C ATOM 593 O ARG A 38 5.706 4.076 -2.010 1.00 0.00 O ATOM 594 CB ARG A 38 3.114 6.017 -2.554 1.00 0.00 C ATOM 595 CG ARG A 38 2.946 5.532 -1.109 1.00 0.00 C ATOM 596 CD ARG A 38 4.110 6.042 -0.259 1.00 0.00 C ATOM 597 NE ARG A 38 3.587 6.062 1.136 1.00 0.00 N ATOM 598 CZ ARG A 38 4.085 6.895 2.008 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.378 7.017 2.129 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.289 7.606 2.758 1.00 0.00 N ATOM 0 H ARG A 38 3.674 3.073 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 38 4.042 5.299 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.595 6.995 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.137 6.137 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.001 5.891 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.912 4.443 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.978 5.389 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.425 7.036 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 38 2.839 5.424 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.000 6.461 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.767 7.668 2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.278 7.511 2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.678 8.257 3.440 1.00 0.00 H new ATOM 614 N ASP A 39 6.222 5.863 -3.186 1.00 0.00 N ATOM 615 CA ASP A 39 7.627 5.856 -2.678 1.00 0.00 C ATOM 616 C ASP A 39 7.669 6.317 -1.217 1.00 0.00 C ATOM 617 O ASP A 39 6.691 6.799 -0.682 1.00 0.00 O ATOM 618 CB ASP A 39 8.380 6.841 -3.572 1.00 0.00 C ATOM 619 CG ASP A 39 9.860 6.459 -3.619 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.190 5.527 -4.334 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.640 7.105 -2.939 1.00 0.00 O ATOM 0 H ASP A 39 6.001 6.615 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 39 8.068 4.860 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.959 6.831 -4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.267 7.855 -3.189 1.00 0.00 H new ATOM 626 N SER A 40 8.795 6.171 -0.569 1.00 0.00 N ATOM 627 CA SER A 40 8.901 6.597 0.859 1.00 0.00 C ATOM 628 C SER A 40 9.942 7.716 1.006 1.00 0.00 C ATOM 629 O SER A 40 10.143 8.507 0.106 1.00 0.00 O ATOM 630 CB SER A 40 9.342 5.341 1.609 1.00 0.00 C ATOM 631 OG SER A 40 8.925 5.434 2.965 1.00 0.00 O ATOM 0 H SER A 40 9.647 5.775 -0.967 1.00 0.00 H new ATOM 0 HA SER A 40 7.962 6.994 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.910 4.455 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.425 5.233 1.556 1.00 0.00 H new ATOM 0 HG SER A 40 9.554 4.944 3.535 1.00 0.00 H new ATOM 637 N SER A 41 10.603 7.792 2.135 1.00 0.00 N ATOM 638 CA SER A 41 11.623 8.864 2.332 1.00 0.00 C ATOM 639 C SER A 41 12.761 8.369 3.233 1.00 0.00 C ATOM 640 O SER A 41 13.921 8.454 2.881 1.00 0.00 O ATOM 641 CB SER A 41 10.867 10.008 3.005 1.00 0.00 C ATOM 642 OG SER A 41 10.473 9.607 4.310 1.00 0.00 O ATOM 0 H SER A 41 10.480 7.159 2.926 1.00 0.00 H new ATOM 0 HA SER A 41 12.081 9.170 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.499 10.894 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.991 10.277 2.415 1.00 0.00 H new ATOM 0 HG SER A 41 9.989 10.340 4.745 1.00 0.00 H new ATOM 648 N LYS A 42 12.439 7.854 4.392 1.00 0.00 N ATOM 649 CA LYS A 42 13.507 7.356 5.313 1.00 0.00 C ATOM 650 C LYS A 42 14.395 6.336 4.594 1.00 0.00 C ATOM 651 O LYS A 42 15.561 6.576 4.350 1.00 0.00 O ATOM 652 CB LYS A 42 12.758 6.691 6.471 1.00 0.00 C ATOM 653 CG LYS A 42 12.005 7.757 7.271 1.00 0.00 C ATOM 654 CD LYS A 42 11.096 7.078 8.297 1.00 0.00 C ATOM 655 CE LYS A 42 10.829 8.037 9.460 1.00 0.00 C ATOM 656 NZ LYS A 42 10.163 7.205 10.500 1.00 0.00 N ATOM 0 H LYS A 42 11.485 7.757 4.741 1.00 0.00 H new ATOM 0 HA LYS A 42 14.159 8.159 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.059 5.948 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.460 6.164 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.712 8.415 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.413 8.379 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.156 6.787 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.564 6.165 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.756 8.470 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.192 8.866 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.948 7.793 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.280 6.811 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.795 6.428 10.781 1.00 0.00 H new ATOM 670 N ALA A 43 13.846 5.204 4.245 1.00 0.00 N ATOM 671 CA ALA A 43 14.649 4.168 3.529 1.00 0.00 C ATOM 672 C ALA A 43 14.530 4.364 2.022 1.00 0.00 C ATOM 673 O ALA A 43 15.251 3.763 1.248 1.00 0.00 O ATOM 674 CB ALA A 43 14.012 2.831 3.913 1.00 0.00 C ATOM 0 H ALA A 43 12.874 4.950 4.425 1.00 0.00 H new ATOM 0 HA ALA A 43 15.705 4.221 3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.549 2.018 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.063 2.701 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.969 2.820 3.595 1.00 0.00 H new ATOM 680 N GLY A 44 13.596 5.166 1.598 1.00 0.00 N ATOM 681 CA GLY A 44 13.398 5.360 0.140 1.00 0.00 C ATOM 682 C GLY A 44 12.723 4.100 -0.396 1.00 0.00 C ATOM 683 O GLY A 44 12.874 3.735 -1.545 1.00 0.00 O ATOM 0 H GLY A 44 12.963 5.694 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.781 6.238 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.353 5.527 -0.359 1.00 0.00 H new ATOM 687 N LYS A 45 11.982 3.427 0.450 1.00 0.00 N ATOM 688 CA LYS A 45 11.296 2.179 0.024 1.00 0.00 C ATOM 689 C LYS A 45 9.909 2.511 -0.533 1.00 0.00 C ATOM 690 O LYS A 45 9.611 3.649 -0.839 1.00 0.00 O ATOM 691 CB LYS A 45 11.181 1.335 1.299 1.00 0.00 C ATOM 692 CG LYS A 45 10.281 2.041 2.321 1.00 0.00 C ATOM 693 CD LYS A 45 11.096 2.405 3.562 1.00 0.00 C ATOM 694 CE LYS A 45 10.156 2.594 4.755 1.00 0.00 C ATOM 695 NZ LYS A 45 10.193 1.295 5.482 1.00 0.00 N ATOM 0 H LYS A 45 11.825 3.694 1.422 1.00 0.00 H new ATOM 0 HA LYS A 45 11.837 1.652 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.771 0.354 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.170 1.171 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.850 2.940 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.450 1.392 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.820 1.619 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.662 3.319 3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.487 3.413 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.145 2.834 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.321 1.183 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.270 0.516 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.014 1.277 6.120 1.00 0.00 H new ATOM 709 N TYR A 46 9.057 1.530 -0.661 1.00 0.00 N ATOM 710 CA TYR A 46 7.689 1.801 -1.193 1.00 0.00 C ATOM 711 C TYR A 46 6.638 1.377 -0.161 1.00 0.00 C ATOM 712 O TYR A 46 6.907 0.588 0.724 1.00 0.00 O ATOM 713 CB TYR A 46 7.560 0.943 -2.455 1.00 0.00 C ATOM 714 CG TYR A 46 8.569 1.368 -3.502 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.943 1.232 -3.263 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.124 1.885 -4.725 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.868 1.611 -4.241 1.00 0.00 C ATOM 718 CE2 TYR A 46 9.051 2.266 -5.703 1.00 0.00 C ATOM 719 CZ TYR A 46 10.422 2.129 -5.462 1.00 0.00 C ATOM 720 OH TYR A 46 11.334 2.504 -6.427 1.00 0.00 O ATOM 0 H TYR A 46 9.247 0.557 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 46 7.537 2.859 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.711 -0.107 -2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.551 1.032 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.289 0.833 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.066 1.990 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.926 1.504 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.707 2.666 -6.645 1.00 0.00 H new ATOM 0 HH TYR A 46 10.857 2.842 -7.214 1.00 0.00 H new ATOM 730 N THR A 47 5.439 1.883 -0.279 1.00 0.00 N ATOM 731 CA THR A 47 4.364 1.497 0.684 1.00 0.00 C ATOM 732 C THR A 47 3.136 1.028 -0.093 1.00 0.00 C ATOM 733 O THR A 47 2.698 1.681 -1.017 1.00 0.00 O ATOM 734 CB THR A 47 4.046 2.767 1.480 1.00 0.00 C ATOM 735 OG1 THR A 47 5.206 3.183 2.186 1.00 0.00 O ATOM 736 CG2 THR A 47 2.913 2.485 2.475 1.00 0.00 C ATOM 0 H THR A 47 5.157 2.547 -1.000 1.00 0.00 H new ATOM 0 HA THR A 47 4.668 0.685 1.344 1.00 0.00 H new ATOM 0 HB THR A 47 3.733 3.555 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.005 3.996 2.695 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.690 3.391 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.023 2.167 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.220 1.696 3.162 1.00 0.00 H new ATOM 744 N VAL A 48 2.588 -0.102 0.265 1.00 0.00 N ATOM 745 CA VAL A 48 1.393 -0.617 -0.466 1.00 0.00 C ATOM 746 C VAL A 48 0.110 -0.331 0.327 1.00 0.00 C ATOM 747 O VAL A 48 -0.157 -0.949 1.338 1.00 0.00 O ATOM 748 CB VAL A 48 1.645 -2.123 -0.595 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.345 -2.849 -0.944 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.673 -2.369 -1.702 1.00 0.00 C ATOM 0 H VAL A 48 2.915 -0.691 1.031 1.00 0.00 H new ATOM 0 HA VAL A 48 1.257 -0.142 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 48 2.021 -2.503 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.538 -3.918 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.390 -2.677 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.041 -2.470 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.856 -3.439 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.291 -1.980 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.605 -1.863 -1.452 1.00 0.00 H new ATOM 760 N SER A 49 -0.684 0.598 -0.135 1.00 0.00 N ATOM 761 CA SER A 49 -1.955 0.932 0.576 1.00 0.00 C ATOM 762 C SER A 49 -3.117 0.124 -0.002 1.00 0.00 C ATOM 763 O SER A 49 -3.519 0.330 -1.130 1.00 0.00 O ATOM 764 CB SER A 49 -2.171 2.420 0.307 1.00 0.00 C ATOM 765 OG SER A 49 -1.472 3.182 1.283 1.00 0.00 O ATOM 0 H SER A 49 -0.507 1.143 -0.979 1.00 0.00 H new ATOM 0 HA SER A 49 -1.902 0.703 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.817 2.675 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.235 2.656 0.338 1.00 0.00 H new ATOM 0 HG SER A 49 -1.549 2.744 2.156 1.00 0.00 H new ATOM 771 N VAL A 50 -3.671 -0.788 0.756 1.00 0.00 N ATOM 772 CA VAL A 50 -4.814 -1.587 0.221 1.00 0.00 C ATOM 773 C VAL A 50 -6.007 -1.514 1.179 1.00 0.00 C ATOM 774 O VAL A 50 -5.853 -1.652 2.379 1.00 0.00 O ATOM 775 CB VAL A 50 -4.293 -3.027 0.102 1.00 0.00 C ATOM 776 CG1 VAL A 50 -2.975 -3.038 -0.676 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.059 -3.620 1.495 1.00 0.00 C ATOM 0 H VAL A 50 -3.386 -1.012 1.709 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.160 -1.210 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.036 -3.625 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.609 -4.062 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.138 -2.630 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.238 -2.430 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.690 -4.641 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.324 -3.017 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.997 -3.624 2.051 1.00 0.00 H new ATOM 787 N PHE A 51 -7.195 -1.293 0.671 1.00 0.00 N ATOM 788 CA PHE A 51 -8.374 -1.215 1.581 1.00 0.00 C ATOM 789 C PHE A 51 -9.519 -2.087 1.057 1.00 0.00 C ATOM 790 O PHE A 51 -9.457 -2.607 -0.034 1.00 0.00 O ATOM 791 CB PHE A 51 -8.773 0.266 1.572 1.00 0.00 C ATOM 792 CG PHE A 51 -10.156 0.427 0.977 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.333 0.313 -0.404 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.256 0.679 1.806 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.605 0.451 -0.960 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.532 0.816 1.248 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.707 0.703 -0.136 1.00 0.00 C ATOM 0 H PHE A 51 -7.396 -1.165 -0.321 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.147 -1.575 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.757 0.661 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.050 0.842 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.484 0.118 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.120 0.767 2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.739 0.363 -2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.382 1.009 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.691 0.810 -0.567 1.00 0.00 H new ATOM 807 N ALA A 52 -10.575 -2.216 1.821 1.00 0.00 N ATOM 808 CA ALA A 52 -11.744 -3.018 1.354 1.00 0.00 C ATOM 809 C ALA A 52 -12.933 -2.847 2.298 1.00 0.00 C ATOM 810 O ALA A 52 -12.789 -2.433 3.426 1.00 0.00 O ATOM 811 CB ALA A 52 -11.289 -4.475 1.338 1.00 0.00 C ATOM 0 H ALA A 52 -10.677 -1.800 2.747 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.069 -2.690 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.110 -5.109 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.444 -4.585 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.988 -4.773 2.342 1.00 0.00 H new ATOM 817 N LYS A 53 -14.111 -3.163 1.837 1.00 0.00 N ATOM 818 CA LYS A 53 -15.322 -3.017 2.697 1.00 0.00 C ATOM 819 C LYS A 53 -15.960 -4.387 2.965 1.00 0.00 C ATOM 820 O LYS A 53 -17.115 -4.608 2.659 1.00 0.00 O ATOM 821 CB LYS A 53 -16.267 -2.148 1.868 1.00 0.00 C ATOM 822 CG LYS A 53 -15.852 -0.681 1.985 1.00 0.00 C ATOM 823 CD LYS A 53 -17.044 0.217 1.652 1.00 0.00 C ATOM 824 CE LYS A 53 -16.600 1.682 1.668 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.528 2.376 0.733 1.00 0.00 N ATOM 0 H LYS A 53 -14.289 -3.518 0.897 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.093 -2.582 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.243 -2.461 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.292 -2.275 2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.497 -0.472 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.025 -0.471 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.445 -0.042 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.844 0.061 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.663 2.103 2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.564 1.784 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.286 3.387 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.441 1.959 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.506 2.268 1.070 1.00 0.00 H new ATOM 839 N SER A 54 -15.224 -5.316 3.529 1.00 0.00 N ATOM 840 CA SER A 54 -15.817 -6.663 3.798 1.00 0.00 C ATOM 841 C SER A 54 -14.927 -7.497 4.733 1.00 0.00 C ATOM 842 O SER A 54 -14.361 -8.496 4.335 1.00 0.00 O ATOM 843 CB SER A 54 -15.915 -7.328 2.425 1.00 0.00 C ATOM 844 OG SER A 54 -16.548 -8.595 2.560 1.00 0.00 O ATOM 0 H SER A 54 -14.251 -5.201 3.811 1.00 0.00 H new ATOM 0 HA SER A 54 -16.783 -6.581 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.483 -6.696 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.921 -7.449 1.995 1.00 0.00 H new ATOM 0 HG SER A 54 -16.614 -9.023 1.681 1.00 0.00 H new ATOM 850 N THR A 55 -14.819 -7.104 5.977 1.00 0.00 N ATOM 851 CA THR A 55 -13.987 -7.879 6.953 1.00 0.00 C ATOM 852 C THR A 55 -14.115 -7.229 8.338 1.00 0.00 C ATOM 853 O THR A 55 -15.209 -6.933 8.777 1.00 0.00 O ATOM 854 CB THR A 55 -12.547 -7.805 6.424 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.690 -8.528 7.295 1.00 0.00 O ATOM 856 CG2 THR A 55 -12.091 -6.349 6.353 1.00 0.00 C ATOM 0 H THR A 55 -15.273 -6.276 6.362 1.00 0.00 H new ATOM 0 HA THR A 55 -14.301 -8.918 7.051 1.00 0.00 H new ATOM 0 HB THR A 55 -12.508 -8.239 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.770 -8.484 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.069 -6.306 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.748 -5.794 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.130 -5.906 7.348 1.00 0.00 H new ATOM 864 N GLY A 56 -13.022 -6.982 9.028 1.00 0.00 N ATOM 865 CA GLY A 56 -13.125 -6.327 10.369 1.00 0.00 C ATOM 866 C GLY A 56 -14.018 -5.093 10.229 1.00 0.00 C ATOM 867 O GLY A 56 -14.789 -4.758 11.108 1.00 0.00 O ATOM 0 H GLY A 56 -12.075 -7.204 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.544 -7.019 11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.137 -6.042 10.730 1.00 0.00 H new ATOM 871 N ASP A 57 -13.931 -4.441 9.102 1.00 0.00 N ATOM 872 CA ASP A 57 -14.774 -3.249 8.839 1.00 0.00 C ATOM 873 C ASP A 57 -15.589 -3.508 7.561 1.00 0.00 C ATOM 874 O ASP A 57 -15.130 -3.229 6.473 1.00 0.00 O ATOM 875 CB ASP A 57 -13.780 -2.117 8.623 1.00 0.00 C ATOM 876 CG ASP A 57 -14.327 -0.828 9.239 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.447 -0.469 8.917 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.616 -0.222 10.023 1.00 0.00 O ATOM 0 H ASP A 57 -13.299 -4.692 8.342 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.473 -3.018 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.821 -2.370 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.601 -1.975 7.557 1.00 0.00 H new ATOM 883 N PRO A 58 -16.763 -4.062 7.727 1.00 0.00 N ATOM 884 CA PRO A 58 -17.626 -4.394 6.566 1.00 0.00 C ATOM 885 C PRO A 58 -17.879 -3.189 5.660 1.00 0.00 C ATOM 886 O PRO A 58 -18.261 -3.339 4.516 1.00 0.00 O ATOM 887 CB PRO A 58 -18.922 -4.847 7.236 1.00 0.00 C ATOM 888 CG PRO A 58 -18.744 -4.785 8.764 1.00 0.00 C ATOM 889 CD PRO A 58 -17.301 -4.376 9.073 1.00 0.00 C ATOM 0 HA PRO A 58 -17.175 -5.140 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.749 -4.208 6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.171 -5.862 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.441 -4.068 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.966 -5.754 9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.257 -3.514 9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.745 -5.180 9.555 1.00 0.00 H new ATOM 897 N GLN A 59 -17.703 -2.003 6.159 1.00 0.00 N ATOM 898 CA GLN A 59 -17.975 -0.804 5.309 1.00 0.00 C ATOM 899 C GLN A 59 -16.729 0.066 5.100 1.00 0.00 C ATOM 900 O GLN A 59 -16.841 1.214 4.716 1.00 0.00 O ATOM 901 CB GLN A 59 -19.049 -0.020 6.067 1.00 0.00 C ATOM 902 CG GLN A 59 -18.605 0.187 7.516 1.00 0.00 C ATOM 903 CD GLN A 59 -19.289 1.429 8.089 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.085 2.526 7.610 1.00 0.00 O ATOM 905 NE2 GLN A 59 -20.100 1.301 9.104 1.00 0.00 N ATOM 0 H GLN A 59 -17.386 -1.806 7.108 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.290 -1.103 4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.218 0.944 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.995 -0.560 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.859 -0.689 8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.522 0.302 7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.272 0.380 9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.562 2.122 9.494 1.00 0.00 H new ATOM 914 N GLY A 60 -15.548 -0.449 5.325 1.00 0.00 N ATOM 915 CA GLY A 60 -14.342 0.396 5.102 1.00 0.00 C ATOM 916 C GLY A 60 -13.114 -0.186 5.805 1.00 0.00 C ATOM 917 O GLY A 60 -12.959 -0.068 7.005 1.00 0.00 O ATOM 0 H GLY A 60 -15.370 -1.400 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.146 0.478 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.530 1.405 5.470 1.00 0.00 H new ATOM 921 N VAL A 61 -12.227 -0.793 5.059 1.00 0.00 N ATOM 922 CA VAL A 61 -10.993 -1.371 5.675 1.00 0.00 C ATOM 923 C VAL A 61 -9.769 -0.883 4.931 1.00 0.00 C ATOM 924 O VAL A 61 -9.796 -0.706 3.738 1.00 0.00 O ATOM 925 CB VAL A 61 -11.091 -2.886 5.513 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.960 -3.548 6.301 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.439 -3.387 6.021 1.00 0.00 C ATOM 0 H VAL A 61 -12.303 -0.914 4.049 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.910 -1.077 6.721 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.002 -3.141 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.024 -4.630 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.000 -3.200 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.049 -3.286 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.495 -4.469 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.547 -3.135 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.240 -2.916 5.452 1.00 0.00 H new ATOM 937 N ILE A 62 -8.702 -0.652 5.634 1.00 0.00 N ATOM 938 CA ILE A 62 -7.460 -0.151 4.973 1.00 0.00 C ATOM 939 C ILE A 62 -6.206 -0.678 5.678 1.00 0.00 C ATOM 940 O ILE A 62 -6.237 -1.056 6.833 1.00 0.00 O ATOM 941 CB ILE A 62 -7.528 1.375 5.093 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.968 1.795 5.434 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.089 2.003 3.764 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.097 3.310 5.448 1.00 0.00 C ATOM 0 H ILE A 62 -8.631 -0.787 6.642 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.399 -0.485 3.937 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.864 1.719 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.658 1.373 4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.249 1.392 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.135 3.089 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.067 1.698 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.753 1.668 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.123 3.586 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.422 3.726 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.838 3.706 4.466 1.00 0.00 H new ATOM 956 N ARG A 63 -5.101 -0.691 4.982 1.00 0.00 N ATOM 957 CA ARG A 63 -3.825 -1.176 5.584 1.00 0.00 C ATOM 958 C ARG A 63 -2.664 -0.875 4.629 1.00 0.00 C ATOM 959 O ARG A 63 -2.628 -1.367 3.517 1.00 0.00 O ATOM 960 CB ARG A 63 -4.010 -2.686 5.755 1.00 0.00 C ATOM 961 CG ARG A 63 -3.578 -3.100 7.165 1.00 0.00 C ATOM 962 CD ARG A 63 -2.076 -2.858 7.335 1.00 0.00 C ATOM 963 NE ARG A 63 -1.576 -4.053 8.070 1.00 0.00 N ATOM 964 CZ ARG A 63 -1.708 -4.124 9.367 1.00 0.00 C ATOM 965 NH1 ARG A 63 -2.889 -4.302 9.893 1.00 0.00 N ATOM 966 NH2 ARG A 63 -0.659 -4.016 10.136 1.00 0.00 N ATOM 0 H ARG A 63 -5.027 -0.383 4.012 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.598 -0.693 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.053 -2.956 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.420 -3.221 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.135 -2.530 7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.808 -4.152 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.581 -2.752 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.884 -1.942 7.893 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.130 -4.816 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.708 -4.386 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.993 -4.358 10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.263 -3.876 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.762 -4.071 11.149 1.00 0.00 H new ATOM 980 N HIS A 64 -1.725 -0.061 5.040 1.00 0.00 N ATOM 981 CA HIS A 64 -0.584 0.273 4.132 1.00 0.00 C ATOM 982 C HIS A 64 0.626 -0.608 4.430 1.00 0.00 C ATOM 983 O HIS A 64 1.333 -0.406 5.397 1.00 0.00 O ATOM 984 CB HIS A 64 -0.231 1.741 4.400 1.00 0.00 C ATOM 985 CG HIS A 64 -1.480 2.540 4.650 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.486 2.657 3.703 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.902 3.262 5.738 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.453 3.424 4.235 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.148 3.819 5.474 1.00 0.00 N ATOM 0 H HIS A 64 -1.698 0.384 5.957 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.861 0.106 3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.433 1.811 5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.309 2.154 3.548 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.350 3.380 6.659 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.366 3.689 3.723 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.709 4.404 6.093 1.00 0.00 H new ATOM 997 N TYR A 65 0.885 -1.565 3.585 1.00 0.00 N ATOM 998 CA TYR A 65 2.068 -2.441 3.793 1.00 0.00 C ATOM 999 C TYR A 65 3.305 -1.714 3.289 1.00 0.00 C ATOM 1000 O TYR A 65 3.368 -1.310 2.149 1.00 0.00 O ATOM 1001 CB TYR A 65 1.825 -3.677 2.937 1.00 0.00 C ATOM 1002 CG TYR A 65 0.424 -4.213 3.155 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.165 -4.159 4.426 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.279 -4.776 2.084 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.455 -4.665 4.622 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.566 -5.285 2.282 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.154 -5.230 3.551 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.425 -5.732 3.745 1.00 0.00 O ATOM 0 H TYR A 65 0.327 -1.778 2.758 1.00 0.00 H new ATOM 0 HA TYR A 65 2.212 -2.701 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.966 -3.430 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.557 -4.446 3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.377 -3.727 5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.173 -4.817 1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.910 -4.619 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.107 -5.721 1.455 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.777 -5.409 4.600 1.00 0.00 H new ATOM 1018 N VAL A 66 4.286 -1.542 4.113 1.00 0.00 N ATOM 1019 CA VAL A 66 5.508 -0.830 3.650 1.00 0.00 C ATOM 1020 C VAL A 66 6.672 -1.804 3.540 1.00 0.00 C ATOM 1021 O VAL A 66 6.661 -2.868 4.123 1.00 0.00 O ATOM 1022 CB VAL A 66 5.801 0.229 4.710 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.027 1.043 4.286 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.597 1.165 4.849 1.00 0.00 C ATOM 0 H VAL A 66 4.302 -1.859 5.082 1.00 0.00 H new ATOM 0 HA VAL A 66 5.365 -0.382 2.667 1.00 0.00 H new ATOM 0 HB VAL A 66 5.994 -0.258 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.240 1.800 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.887 0.380 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.829 1.528 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.809 1.920 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.404 1.653 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.721 0.589 5.146 1.00 0.00 H new ATOM 1034 N VAL A 67 7.680 -1.448 2.801 1.00 0.00 N ATOM 1035 CA VAL A 67 8.842 -2.359 2.659 1.00 0.00 C ATOM 1036 C VAL A 67 10.080 -1.753 3.314 1.00 0.00 C ATOM 1037 O VAL A 67 10.467 -0.637 3.031 1.00 0.00 O ATOM 1038 CB VAL A 67 9.049 -2.511 1.157 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.298 -3.362 0.903 1.00 0.00 C ATOM 1040 CG2 VAL A 67 7.818 -3.190 0.545 1.00 0.00 C ATOM 0 H VAL A 67 7.749 -0.568 2.290 1.00 0.00 H new ATOM 0 HA VAL A 67 8.669 -3.320 3.145 1.00 0.00 H new ATOM 0 HB VAL A 67 9.184 -1.532 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.450 -3.474 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.167 -2.873 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.166 -4.345 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.961 -3.301 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.682 -4.173 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.935 -2.579 0.732 1.00 0.00 H new ATOM 1050 N CYS A 68 10.709 -2.495 4.175 1.00 0.00 N ATOM 1051 CA CYS A 68 11.934 -1.995 4.844 1.00 0.00 C ATOM 1052 C CYS A 68 13.148 -2.355 3.990 1.00 0.00 C ATOM 1053 O CYS A 68 13.081 -3.228 3.150 1.00 0.00 O ATOM 1054 CB CYS A 68 11.970 -2.725 6.187 1.00 0.00 C ATOM 1055 SG CYS A 68 13.389 -2.149 7.152 1.00 0.00 S ATOM 0 H CYS A 68 10.423 -3.436 4.446 1.00 0.00 H new ATOM 0 HA CYS A 68 11.942 -0.914 4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.046 -2.544 6.736 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.039 -3.801 6.026 1.00 0.00 H new ATOM 0 HG CYS A 68 14.093 -3.170 7.540 1.00 0.00 H new ATOM 1061 N SER A 69 14.251 -1.687 4.182 1.00 0.00 N ATOM 1062 CA SER A 69 15.453 -1.997 3.358 1.00 0.00 C ATOM 1063 C SER A 69 16.704 -2.102 4.228 1.00 0.00 C ATOM 1064 O SER A 69 16.975 -1.255 5.057 1.00 0.00 O ATOM 1065 CB SER A 69 15.580 -0.827 2.386 1.00 0.00 C ATOM 1066 OG SER A 69 15.181 0.373 3.035 1.00 0.00 O ATOM 0 H SER A 69 14.372 -0.944 4.870 1.00 0.00 H new ATOM 0 HA SER A 69 15.352 -2.953 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.609 -0.740 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.959 -1.001 1.507 1.00 0.00 H new ATOM 0 HG SER A 69 15.755 0.530 3.814 1.00 0.00 H new ATOM 1072 N THR A 70 17.478 -3.133 4.028 1.00 0.00 N ATOM 1073 CA THR A 70 18.731 -3.303 4.819 1.00 0.00 C ATOM 1074 C THR A 70 19.920 -2.807 3.977 1.00 0.00 C ATOM 1075 O THR A 70 19.825 -2.747 2.768 1.00 0.00 O ATOM 1076 CB THR A 70 18.816 -4.809 5.102 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.897 -5.070 5.984 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.028 -5.577 3.800 1.00 0.00 C ATOM 0 H THR A 70 17.296 -3.870 3.347 1.00 0.00 H new ATOM 0 HA THR A 70 18.744 -2.735 5.749 1.00 0.00 H new ATOM 0 HB THR A 70 17.883 -5.134 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.947 -6.032 6.164 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.087 -6.644 4.013 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.193 -5.387 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.956 -5.249 3.331 1.00 0.00 H new ATOM 1086 N PRO A 71 20.998 -2.436 4.633 1.00 0.00 N ATOM 1087 CA PRO A 71 22.185 -1.910 3.909 1.00 0.00 C ATOM 1088 C PRO A 71 22.824 -2.940 2.970 1.00 0.00 C ATOM 1089 O PRO A 71 23.801 -2.646 2.308 1.00 0.00 O ATOM 1090 CB PRO A 71 23.136 -1.531 5.049 1.00 0.00 C ATOM 1091 CG PRO A 71 22.453 -1.855 6.392 1.00 0.00 C ATOM 1092 CD PRO A 71 21.094 -2.507 6.112 1.00 0.00 C ATOM 0 HA PRO A 71 21.930 -1.080 3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.072 -2.082 4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.384 -0.471 4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.079 -2.525 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.321 -0.945 6.977 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.056 -3.535 6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.279 -1.970 6.597 1.00 0.00 H new ATOM 1100 N GLN A 72 22.290 -4.125 2.875 1.00 0.00 N ATOM 1101 CA GLN A 72 22.885 -5.122 1.943 1.00 0.00 C ATOM 1102 C GLN A 72 22.157 -5.043 0.595 1.00 0.00 C ATOM 1103 O GLN A 72 22.119 -5.991 -0.163 1.00 0.00 O ATOM 1104 CB GLN A 72 22.667 -6.476 2.630 1.00 0.00 C ATOM 1105 CG GLN A 72 23.168 -7.621 1.741 1.00 0.00 C ATOM 1106 CD GLN A 72 24.618 -7.360 1.321 1.00 0.00 C ATOM 1107 OE1 GLN A 72 24.880 -6.505 0.498 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.576 -8.066 1.858 1.00 0.00 N ATOM 0 H GLN A 72 21.474 -4.445 3.397 1.00 0.00 H new ATOM 0 HA GLN A 72 23.943 -4.954 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.192 -6.494 3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.608 -6.613 2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.101 -8.567 2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.535 -7.711 0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.355 -8.783 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.545 -7.900 1.587 1.00 0.00 H new ATOM 1117 N SER A 73 21.568 -3.906 0.293 1.00 0.00 N ATOM 1118 CA SER A 73 20.826 -3.754 -0.995 1.00 0.00 C ATOM 1119 C SER A 73 19.664 -4.744 -1.020 1.00 0.00 C ATOM 1120 O SER A 73 19.459 -5.456 -1.983 1.00 0.00 O ATOM 1121 CB SER A 73 21.839 -4.074 -2.098 1.00 0.00 C ATOM 1122 OG SER A 73 21.756 -3.082 -3.112 1.00 0.00 O ATOM 0 H SER A 73 21.572 -3.077 0.888 1.00 0.00 H new ATOM 0 HA SER A 73 20.412 -2.754 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.847 -4.105 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.637 -5.059 -2.519 1.00 0.00 H new ATOM 0 HG SER A 73 22.404 -3.282 -3.819 1.00 0.00 H new ATOM 1128 N GLN A 74 18.918 -4.809 0.052 1.00 0.00 N ATOM 1129 CA GLN A 74 17.781 -5.772 0.117 1.00 0.00 C ATOM 1130 C GLN A 74 16.527 -5.087 0.673 1.00 0.00 C ATOM 1131 O GLN A 74 16.583 -3.972 1.156 1.00 0.00 O ATOM 1132 CB GLN A 74 18.254 -6.883 1.060 1.00 0.00 C ATOM 1133 CG GLN A 74 19.786 -6.931 1.087 1.00 0.00 C ATOM 1134 CD GLN A 74 20.251 -8.296 1.603 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.369 -8.492 2.889 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.509 -9.194 0.827 1.00 0.00 N flip ATOM 0 H GLN A 74 19.048 -4.236 0.886 1.00 0.00 H new ATOM 0 HA GLN A 74 17.514 -6.159 -0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.870 -6.707 2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.858 -7.844 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.183 -6.755 0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.173 -6.138 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.417 -9.042 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.817 -10.100 1.180 1.00 0.00 H new ATOM 1145 N TYR A 75 15.391 -5.735 0.586 1.00 0.00 N ATOM 1146 CA TYR A 75 14.123 -5.099 1.091 1.00 0.00 C ATOM 1147 C TYR A 75 13.161 -6.143 1.673 1.00 0.00 C ATOM 1148 O TYR A 75 13.255 -7.311 1.383 1.00 0.00 O ATOM 1149 CB TYR A 75 13.480 -4.447 -0.136 1.00 0.00 C ATOM 1150 CG TYR A 75 14.485 -3.573 -0.838 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.411 -4.145 -1.713 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.497 -2.196 -0.606 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.353 -3.342 -2.358 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.438 -1.390 -1.252 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.368 -1.961 -2.129 1.00 0.00 C ATOM 1156 OH TYR A 75 17.299 -1.165 -2.765 1.00 0.00 O ATOM 0 H TYR A 75 15.282 -6.669 0.191 1.00 0.00 H new ATOM 0 HA TYR A 75 14.338 -4.387 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.115 -5.215 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.618 -3.853 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.398 -5.210 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.781 -1.755 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.070 -3.786 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.448 -0.325 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 75 17.170 -0.232 -2.496 1.00 0.00 H new ATOM 1166 N TYR A 76 12.219 -5.704 2.475 1.00 0.00 N ATOM 1167 CA TYR A 76 11.215 -6.639 3.085 1.00 0.00 C ATOM 1168 C TYR A 76 10.272 -5.870 4.019 1.00 0.00 C ATOM 1169 O TYR A 76 10.607 -4.819 4.520 1.00 0.00 O ATOM 1170 CB TYR A 76 12.023 -7.655 3.917 1.00 0.00 C ATOM 1171 CG TYR A 76 12.790 -6.940 5.011 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.145 -6.602 6.205 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.146 -6.634 4.841 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.848 -5.961 7.228 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.850 -5.991 5.864 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.202 -5.653 7.058 1.00 0.00 C ATOM 1177 OH TYR A 76 14.899 -5.020 8.068 1.00 0.00 O ATOM 0 H TYR A 76 12.101 -4.725 2.737 1.00 0.00 H new ATOM 0 HA TYR A 76 10.615 -7.122 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.352 -8.393 4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.715 -8.197 3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.099 -6.837 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.648 -6.894 3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.347 -5.703 8.149 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.896 -5.755 5.733 1.00 0.00 H new ATOM 0 HH TYR A 76 15.828 -4.881 7.787 1.00 0.00 H new ATOM 1187 N LEU A 77 9.128 -6.424 4.312 1.00 0.00 N ATOM 1188 CA LEU A 77 8.195 -5.761 5.274 1.00 0.00 C ATOM 1189 C LEU A 77 8.412 -6.447 6.625 1.00 0.00 C ATOM 1190 O LEU A 77 8.032 -5.962 7.672 1.00 0.00 O ATOM 1191 CB LEU A 77 6.785 -6.029 4.736 1.00 0.00 C ATOM 1192 CG LEU A 77 5.780 -5.103 5.430 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.695 -4.681 4.434 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.126 -5.840 6.601 1.00 0.00 C ATOM 0 H LEU A 77 8.796 -7.309 3.928 1.00 0.00 H new ATOM 0 HA LEU A 77 8.350 -4.688 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.760 -5.866 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.512 -7.070 4.907 1.00 0.00 H new ATOM 0 HG LEU A 77 6.303 -4.220 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.982 -4.023 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.154 -4.154 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.176 -5.566 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.412 -5.180 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.607 -6.724 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.893 -6.142 7.315 1.00 0.00 H new ATOM 1206 N ALA A 78 9.088 -7.564 6.573 1.00 0.00 N ATOM 1207 CA ALA A 78 9.450 -8.337 7.782 1.00 0.00 C ATOM 1208 C ALA A 78 10.804 -8.982 7.484 1.00 0.00 C ATOM 1209 O ALA A 78 10.953 -9.684 6.503 1.00 0.00 O ATOM 1210 CB ALA A 78 8.353 -9.393 7.944 1.00 0.00 C ATOM 0 H ALA A 78 9.414 -7.983 5.702 1.00 0.00 H new ATOM 0 HA ALA A 78 9.526 -7.744 8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.561 -10.002 8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.388 -8.900 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.328 -10.030 7.060 1.00 0.00 H new ATOM 1216 N GLU A 79 11.802 -8.724 8.287 1.00 0.00 N ATOM 1217 CA GLU A 79 13.158 -9.298 8.013 1.00 0.00 C ATOM 1218 C GLU A 79 13.078 -10.796 7.714 1.00 0.00 C ATOM 1219 O GLU A 79 13.990 -11.373 7.156 1.00 0.00 O ATOM 1220 CB GLU A 79 13.966 -9.046 9.285 1.00 0.00 C ATOM 1221 CG GLU A 79 14.661 -7.691 9.180 1.00 0.00 C ATOM 1222 CD GLU A 79 15.683 -7.549 10.309 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.339 -8.532 10.615 1.00 0.00 O ATOM 1224 OE2 GLU A 79 15.794 -6.461 10.849 1.00 0.00 O ATOM 0 H GLU A 79 11.740 -8.141 9.122 1.00 0.00 H new ATOM 0 HA GLU A 79 13.616 -8.838 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.311 -9.065 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.704 -9.836 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.157 -7.599 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.926 -6.888 9.238 1.00 0.00 H new ATOM 1231 N LYS A 80 11.990 -11.422 8.073 1.00 0.00 N ATOM 1232 CA LYS A 80 11.826 -12.885 7.802 1.00 0.00 C ATOM 1233 C LYS A 80 12.340 -13.230 6.398 1.00 0.00 C ATOM 1234 O LYS A 80 12.946 -14.262 6.182 1.00 0.00 O ATOM 1235 CB LYS A 80 10.320 -13.129 7.884 1.00 0.00 C ATOM 1236 CG LYS A 80 9.969 -13.762 9.234 1.00 0.00 C ATOM 1237 CD LYS A 80 9.661 -15.248 9.036 1.00 0.00 C ATOM 1238 CE LYS A 80 10.139 -16.038 10.258 1.00 0.00 C ATOM 1239 NZ LYS A 80 8.910 -16.274 11.067 1.00 0.00 N ATOM 0 H LYS A 80 11.201 -10.982 8.546 1.00 0.00 H new ATOM 0 HA LYS A 80 12.387 -13.499 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.783 -12.188 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.004 -13.784 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.798 -13.641 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.108 -13.256 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.590 -15.392 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.155 -15.616 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.604 -16.978 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.883 -15.478 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.156 -16.811 11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.493 -15.361 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.223 -16.815 10.504 1.00 0.00 H new ATOM 1253 N HIS A 81 12.111 -12.361 5.450 1.00 0.00 N ATOM 1254 CA HIS A 81 12.592 -12.616 4.062 1.00 0.00 C ATOM 1255 C HIS A 81 12.729 -11.285 3.327 1.00 0.00 C ATOM 1256 O HIS A 81 11.916 -10.396 3.492 1.00 0.00 O ATOM 1257 CB HIS A 81 11.520 -13.490 3.408 1.00 0.00 C ATOM 1258 CG HIS A 81 10.203 -12.760 3.392 1.00 0.00 C ATOM 1259 ND1 HIS A 81 9.297 -12.843 4.437 1.00 0.00 N ATOM 1260 CD2 HIS A 81 9.628 -11.930 2.462 1.00 0.00 C ATOM 1261 CE1 HIS A 81 8.234 -12.082 4.114 1.00 0.00 C ATOM 1262 NE2 HIS A 81 8.386 -11.502 2.921 1.00 0.00 N ATOM 0 H HIS A 81 11.609 -11.482 5.578 1.00 0.00 H new ATOM 0 HA HIS A 81 13.565 -13.107 4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.817 -13.745 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.419 -14.428 3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.072 -11.652 1.518 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.365 -11.956 4.743 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.732 -10.879 2.448 1.00 0.00 H new ATOM 1270 N LEU A 82 13.751 -11.126 2.533 1.00 0.00 N ATOM 1271 CA LEU A 82 13.922 -9.838 1.820 1.00 0.00 C ATOM 1272 C LEU A 82 14.567 -10.055 0.448 1.00 0.00 C ATOM 1273 O LEU A 82 15.431 -10.895 0.283 1.00 0.00 O ATOM 1274 CB LEU A 82 14.824 -9.005 2.743 1.00 0.00 C ATOM 1275 CG LEU A 82 16.223 -9.609 2.809 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.189 -8.582 3.405 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.215 -10.862 3.692 1.00 0.00 C ATOM 0 H LEU A 82 14.468 -11.828 2.350 1.00 0.00 H new ATOM 0 HA LEU A 82 12.973 -9.340 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.881 -7.980 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.392 -8.963 3.743 1.00 0.00 H new ATOM 0 HG LEU A 82 16.541 -9.881 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.190 -9.010 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.205 -7.691 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.860 -8.313 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.219 -11.285 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.893 -10.596 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.528 -11.597 3.274 1.00 0.00 H new ATOM 1289 N PHE A 83 14.149 -9.306 -0.537 1.00 0.00 N ATOM 1290 CA PHE A 83 14.739 -9.468 -1.895 1.00 0.00 C ATOM 1291 C PHE A 83 15.528 -8.206 -2.278 1.00 0.00 C ATOM 1292 O PHE A 83 16.111 -7.570 -1.424 1.00 0.00 O ATOM 1293 CB PHE A 83 13.541 -9.722 -2.809 1.00 0.00 C ATOM 1294 CG PHE A 83 13.225 -11.199 -2.769 1.00 0.00 C ATOM 1295 CD1 PHE A 83 14.197 -12.127 -3.162 1.00 0.00 C ATOM 1296 CD2 PHE A 83 11.971 -11.644 -2.332 1.00 0.00 C ATOM 1297 CE1 PHE A 83 13.916 -13.497 -3.121 1.00 0.00 C ATOM 1298 CE2 PHE A 83 11.689 -13.015 -2.292 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.661 -13.941 -2.686 1.00 0.00 C ATOM 0 H PHE A 83 13.426 -8.591 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 83 15.454 -10.287 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.681 -9.140 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.767 -9.408 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.165 -11.785 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.221 -10.930 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 83 14.667 -14.212 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.721 -13.358 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.443 -14.998 -2.655 1.00 0.00 H new ATOM 1309 N SER A 84 15.592 -7.846 -3.538 1.00 0.00 N ATOM 1310 CA SER A 84 16.397 -6.640 -3.911 1.00 0.00 C ATOM 1311 C SER A 84 15.517 -5.458 -4.352 1.00 0.00 C ATOM 1312 O SER A 84 16.022 -4.431 -4.759 1.00 0.00 O ATOM 1313 CB SER A 84 17.278 -7.103 -5.070 1.00 0.00 C ATOM 1314 OG SER A 84 17.945 -5.980 -5.631 1.00 0.00 O ATOM 0 H SER A 84 15.131 -8.325 -4.311 1.00 0.00 H new ATOM 0 HA SER A 84 16.968 -6.275 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.006 -7.835 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.671 -7.596 -5.829 1.00 0.00 H new ATOM 0 HG SER A 84 17.598 -5.158 -5.227 1.00 0.00 H new ATOM 1320 N THR A 85 14.217 -5.575 -4.268 1.00 0.00 N ATOM 1321 CA THR A 85 13.332 -4.432 -4.672 1.00 0.00 C ATOM 1322 C THR A 85 11.901 -4.688 -4.199 1.00 0.00 C ATOM 1323 O THR A 85 11.514 -5.816 -3.980 1.00 0.00 O ATOM 1324 CB THR A 85 13.367 -4.375 -6.204 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.690 -4.577 -6.677 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.865 -3.005 -6.664 1.00 0.00 C ATOM 0 H THR A 85 13.728 -6.407 -3.939 1.00 0.00 H new ATOM 0 HA THR A 85 13.672 -3.495 -4.230 1.00 0.00 H new ATOM 0 HB THR A 85 12.728 -5.162 -6.605 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.315 -4.049 -6.137 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.887 -2.956 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.843 -2.856 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.507 -2.226 -6.253 1.00 0.00 H new ATOM 1334 N ILE A 86 11.105 -3.659 -4.043 1.00 0.00 N ATOM 1335 CA ILE A 86 9.702 -3.884 -3.584 1.00 0.00 C ATOM 1336 C ILE A 86 8.910 -4.692 -4.631 1.00 0.00 C ATOM 1337 O ILE A 86 8.402 -5.749 -4.312 1.00 0.00 O ATOM 1338 CB ILE A 86 9.121 -2.481 -3.360 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.387 -2.081 -1.911 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.609 -2.474 -3.619 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.753 -1.401 -1.812 1.00 0.00 C ATOM 0 H ILE A 86 11.362 -2.686 -4.211 1.00 0.00 H new ATOM 0 HA ILE A 86 9.650 -4.473 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 86 9.591 -1.778 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.607 -1.406 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.360 -2.961 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.216 -1.471 -3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.415 -2.776 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.120 -3.171 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.943 -1.115 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.528 -2.091 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.763 -0.511 -2.442 1.00 0.00 H new ATOM 1353 N PRO A 87 8.826 -4.196 -5.848 1.00 0.00 N ATOM 1354 CA PRO A 87 8.088 -4.931 -6.904 1.00 0.00 C ATOM 1355 C PRO A 87 8.662 -6.341 -7.060 1.00 0.00 C ATOM 1356 O PRO A 87 7.939 -7.316 -7.108 1.00 0.00 O ATOM 1357 CB PRO A 87 8.345 -4.082 -8.152 1.00 0.00 C ATOM 1358 CG PRO A 87 9.226 -2.881 -7.759 1.00 0.00 C ATOM 1359 CD PRO A 87 9.449 -2.907 -6.241 1.00 0.00 C ATOM 0 HA PRO A 87 7.026 -5.062 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.839 -4.678 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.402 -3.736 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.181 -2.927 -8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.746 -1.948 -8.054 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.508 -2.873 -5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.975 -2.059 -5.746 1.00 0.00 H new ATOM 1367 N GLU A 88 9.961 -6.453 -7.126 1.00 0.00 N ATOM 1368 CA GLU A 88 10.594 -7.797 -7.264 1.00 0.00 C ATOM 1369 C GLU A 88 10.291 -8.641 -6.023 1.00 0.00 C ATOM 1370 O GLU A 88 9.823 -9.759 -6.116 1.00 0.00 O ATOM 1371 CB GLU A 88 12.093 -7.515 -7.371 1.00 0.00 C ATOM 1372 CG GLU A 88 12.854 -8.825 -7.566 1.00 0.00 C ATOM 1373 CD GLU A 88 13.051 -9.085 -9.060 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.163 -9.664 -9.663 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.087 -8.700 -9.576 1.00 0.00 O ATOM 0 H GLU A 88 10.613 -5.670 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 88 10.223 -8.350 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.287 -6.843 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.443 -7.011 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.821 -8.774 -7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.303 -9.649 -7.113 1.00 0.00 H new ATOM 1382 N LEU A 89 10.552 -8.104 -4.860 1.00 0.00 N ATOM 1383 CA LEU A 89 10.284 -8.856 -3.593 1.00 0.00 C ATOM 1384 C LEU A 89 8.848 -9.400 -3.589 1.00 0.00 C ATOM 1385 O LEU A 89 8.624 -10.579 -3.402 1.00 0.00 O ATOM 1386 CB LEU A 89 10.482 -7.815 -2.480 1.00 0.00 C ATOM 1387 CG LEU A 89 10.354 -8.465 -1.101 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.025 -7.568 -0.055 1.00 0.00 C ATOM 1389 CD2 LEU A 89 8.876 -8.632 -0.745 1.00 0.00 C ATOM 0 H LEU A 89 10.942 -7.170 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 89 10.939 -9.718 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.464 -7.352 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.743 -7.021 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 89 10.837 -9.442 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.936 -8.028 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.079 -7.445 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.538 -6.593 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.789 -9.095 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.393 -7.655 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.392 -9.265 -1.489 1.00 0.00 H new ATOM 1401 N ILE A 90 7.874 -8.553 -3.791 1.00 0.00 N ATOM 1402 CA ILE A 90 6.459 -9.032 -3.798 1.00 0.00 C ATOM 1403 C ILE A 90 6.255 -10.061 -4.916 1.00 0.00 C ATOM 1404 O ILE A 90 5.687 -11.116 -4.706 1.00 0.00 O ATOM 1405 CB ILE A 90 5.616 -7.782 -4.056 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.833 -6.778 -2.922 1.00 0.00 C ATOM 1407 CG2 ILE A 90 4.135 -8.164 -4.118 1.00 0.00 C ATOM 1408 CD1 ILE A 90 5.608 -5.359 -3.446 1.00 0.00 C ATOM 0 H ILE A 90 7.995 -7.553 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 90 6.184 -9.520 -2.863 1.00 0.00 H new ATOM 0 HB ILE A 90 5.915 -7.334 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.147 -6.987 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.844 -6.874 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.536 -7.272 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.977 -8.879 -4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.835 -8.613 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.763 -4.644 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.312 -5.153 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.589 -5.267 -3.822 1.00 0.00 H new ATOM 1420 N ASN A 91 6.713 -9.760 -6.103 1.00 0.00 N ATOM 1421 CA ASN A 91 6.546 -10.717 -7.239 1.00 0.00 C ATOM 1422 C ASN A 91 7.269 -12.034 -6.940 1.00 0.00 C ATOM 1423 O ASN A 91 6.787 -13.101 -7.266 1.00 0.00 O ATOM 1424 CB ASN A 91 7.178 -10.022 -8.447 1.00 0.00 C ATOM 1425 CG ASN A 91 6.396 -10.382 -9.713 1.00 0.00 C ATOM 1426 OD1 ASN A 91 6.205 -9.552 -10.579 1.00 0.00 O ATOM 1427 ND2 ASN A 91 5.933 -11.594 -9.858 1.00 0.00 N ATOM 0 H ASN A 91 7.196 -8.892 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 91 5.499 -10.964 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.175 -8.942 -8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.219 -10.327 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.411 -11.843 -10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.093 -12.291 -9.131 1.00 0.00 H new ATOM 1434 N TYR A 92 8.428 -11.960 -6.331 1.00 0.00 N ATOM 1435 CA TYR A 92 9.209 -13.200 -6.007 1.00 0.00 C ATOM 1436 C TYR A 92 8.282 -14.334 -5.546 1.00 0.00 C ATOM 1437 O TYR A 92 7.977 -15.241 -6.297 1.00 0.00 O ATOM 1438 CB TYR A 92 10.145 -12.784 -4.869 1.00 0.00 C ATOM 1439 CG TYR A 92 11.566 -12.711 -5.371 1.00 0.00 C ATOM 1440 CD1 TYR A 92 12.250 -13.885 -5.699 1.00 0.00 C ATOM 1441 CD2 TYR A 92 12.199 -11.471 -5.502 1.00 0.00 C ATOM 1442 CE1 TYR A 92 13.570 -13.819 -6.162 1.00 0.00 C ATOM 1443 CE2 TYR A 92 13.519 -11.404 -5.965 1.00 0.00 C ATOM 1444 CZ TYR A 92 14.204 -12.578 -6.295 1.00 0.00 C ATOM 1445 OH TYR A 92 15.505 -12.513 -6.750 1.00 0.00 O ATOM 0 H TYR A 92 8.871 -11.088 -6.042 1.00 0.00 H new ATOM 0 HA TYR A 92 9.748 -13.577 -6.876 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.840 -11.816 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.076 -13.500 -4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.761 -14.842 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.670 -10.565 -5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.099 -14.726 -6.416 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.008 -10.446 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 92 15.793 -11.577 -6.784 1.00 0.00 H new ATOM 1455 N HIS A 93 7.833 -14.291 -4.320 1.00 0.00 N ATOM 1456 CA HIS A 93 6.928 -15.366 -3.817 1.00 0.00 C ATOM 1457 C HIS A 93 5.540 -15.221 -4.445 1.00 0.00 C ATOM 1458 O HIS A 93 5.105 -16.058 -5.213 1.00 0.00 O ATOM 1459 CB HIS A 93 6.859 -15.151 -2.302 1.00 0.00 C ATOM 1460 CG HIS A 93 6.009 -16.224 -1.679 1.00 0.00 C ATOM 1461 ND1 HIS A 93 5.364 -16.043 -0.465 1.00 0.00 N ATOM 1462 CD2 HIS A 93 5.687 -17.494 -2.089 1.00 0.00 C ATOM 1463 CE1 HIS A 93 4.693 -17.177 -0.189 1.00 0.00 C ATOM 1464 NE2 HIS A 93 4.856 -18.094 -1.148 1.00 0.00 N ATOM 0 H HIS A 93 8.053 -13.559 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 93 7.289 -16.363 -4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 93 7.862 -15.174 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 93 6.441 -14.169 -2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.027 -17.957 -3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.096 -17.327 0.698 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.457 -19.032 -1.182 1.00 0.00 H new ATOM 1472 N GLN A 94 4.843 -14.163 -4.128 1.00 0.00 N ATOM 1473 CA GLN A 94 3.483 -13.955 -4.706 1.00 0.00 C ATOM 1474 C GLN A 94 2.964 -12.563 -4.338 1.00 0.00 C ATOM 1475 O GLN A 94 2.710 -11.740 -5.195 1.00 0.00 O ATOM 1476 CB GLN A 94 2.607 -15.040 -4.072 1.00 0.00 C ATOM 1477 CG GLN A 94 2.316 -16.135 -5.102 1.00 0.00 C ATOM 1478 CD GLN A 94 0.861 -16.589 -4.971 1.00 0.00 C ATOM 1479 OE1 GLN A 94 -0.024 -15.779 -4.773 1.00 0.00 O ATOM 1480 NE2 GLN A 94 0.573 -17.857 -5.074 1.00 0.00 N ATOM 0 H GLN A 94 5.158 -13.431 -3.491 1.00 0.00 H new ATOM 0 HA GLN A 94 3.483 -14.020 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.111 -15.467 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.673 -14.605 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.501 -15.760 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.987 -16.980 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.315 -18.537 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.394 -18.169 -4.988 1.00 0.00 H new ATOM 1489 N HIS A 95 2.811 -12.294 -3.068 1.00 0.00 N ATOM 1490 CA HIS A 95 2.313 -10.955 -2.639 1.00 0.00 C ATOM 1491 C HIS A 95 2.850 -10.620 -1.244 1.00 0.00 C ATOM 1492 O HIS A 95 2.182 -9.987 -0.448 1.00 0.00 O ATOM 1493 CB HIS A 95 0.784 -11.083 -2.625 1.00 0.00 C ATOM 1494 CG HIS A 95 0.348 -11.956 -1.476 1.00 0.00 C ATOM 1495 ND1 HIS A 95 0.718 -13.287 -1.373 1.00 0.00 N ATOM 1496 CD2 HIS A 95 -0.428 -11.697 -0.373 1.00 0.00 C ATOM 1497 CE1 HIS A 95 0.170 -13.775 -0.246 1.00 0.00 C ATOM 1498 NE2 HIS A 95 -0.539 -12.847 0.402 1.00 0.00 N ATOM 0 H HIS A 95 3.010 -12.945 -2.309 1.00 0.00 H new ATOM 0 HA HIS A 95 2.641 -10.155 -3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 95 0.329 -10.096 -2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.438 -11.509 -3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.883 -10.745 -0.142 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.289 -14.793 0.094 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.052 -12.958 1.277 1.00 0.00 H new ATOM 1506 N ASN A 96 4.051 -11.042 -0.944 1.00 0.00 N ATOM 1507 CA ASN A 96 4.644 -10.759 0.400 1.00 0.00 C ATOM 1508 C ASN A 96 3.816 -11.436 1.496 1.00 0.00 C ATOM 1509 O ASN A 96 2.610 -11.541 1.399 1.00 0.00 O ATOM 1510 CB ASN A 96 4.600 -9.237 0.551 1.00 0.00 C ATOM 1511 CG ASN A 96 5.689 -8.788 1.528 1.00 0.00 C ATOM 1512 OD1 ASN A 96 6.636 -8.132 1.140 1.00 0.00 O ATOM 1513 ND2 ASN A 96 5.596 -9.117 2.787 1.00 0.00 N ATOM 0 H ASN A 96 4.651 -11.574 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 96 5.661 -11.142 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.748 -8.761 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.621 -8.925 0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.318 -8.824 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.802 -9.667 3.113 1.00 0.00 H new ATOM 1520 N SER A 97 4.460 -11.896 2.539 1.00 0.00 N ATOM 1521 CA SER A 97 3.723 -12.573 3.652 1.00 0.00 C ATOM 1522 C SER A 97 2.997 -13.820 3.131 1.00 0.00 C ATOM 1523 O SER A 97 2.118 -13.739 2.297 1.00 0.00 O ATOM 1524 CB SER A 97 2.725 -11.532 4.176 1.00 0.00 C ATOM 1525 OG SER A 97 1.457 -11.728 3.562 1.00 0.00 O ATOM 0 H SER A 97 5.470 -11.832 2.669 1.00 0.00 H new ATOM 0 HA SER A 97 4.395 -12.911 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.632 -11.617 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.090 -10.527 3.965 1.00 0.00 H new ATOM 0 HG SER A 97 1.583 -12.070 2.652 1.00 0.00 H new ATOM 1531 N ALA A 98 3.364 -14.975 3.619 1.00 0.00 N ATOM 1532 CA ALA A 98 2.700 -16.229 3.156 1.00 0.00 C ATOM 1533 C ALA A 98 1.398 -16.459 3.929 1.00 0.00 C ATOM 1534 O ALA A 98 1.210 -17.484 4.555 1.00 0.00 O ATOM 1535 CB ALA A 98 3.706 -17.342 3.454 1.00 0.00 C ATOM 0 H ALA A 98 4.095 -15.105 4.318 1.00 0.00 H new ATOM 0 HA ALA A 98 2.436 -16.190 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.291 -18.300 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.631 -17.152 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.914 -17.368 4.524 1.00 0.00 H new ATOM 1541 N GLY A 99 0.499 -15.511 3.890 1.00 0.00 N ATOM 1542 CA GLY A 99 -0.791 -15.671 4.621 1.00 0.00 C ATOM 1543 C GLY A 99 -1.906 -15.985 3.622 1.00 0.00 C ATOM 1544 O GLY A 99 -1.777 -16.859 2.788 1.00 0.00 O ATOM 0 H GLY A 99 0.603 -14.632 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.709 -16.473 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.026 -14.759 5.170 1.00 0.00 H new ATOM 1548 N LEU A 100 -3.001 -15.276 3.700 1.00 0.00 N ATOM 1549 CA LEU A 100 -4.126 -15.532 2.754 1.00 0.00 C ATOM 1550 C LEU A 100 -3.818 -14.910 1.389 1.00 0.00 C ATOM 1551 O LEU A 100 -3.127 -13.915 1.293 1.00 0.00 O ATOM 1552 CB LEU A 100 -5.342 -14.858 3.390 1.00 0.00 C ATOM 1553 CG LEU A 100 -6.026 -15.835 4.346 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -6.955 -15.066 5.287 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -6.844 -16.847 3.540 1.00 0.00 C ATOM 0 H LEU A 100 -3.165 -14.531 4.377 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.293 -16.596 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.034 -13.962 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.041 -14.541 2.616 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.270 -16.359 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.442 -15.764 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.375 -14.344 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.711 -14.541 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.332 -17.544 4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.599 -16.321 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.184 -17.397 2.869 1.00 0.00 H new ATOM 1567 N ILE A 101 -4.323 -15.491 0.334 1.00 0.00 N ATOM 1568 CA ILE A 101 -4.058 -14.935 -1.026 1.00 0.00 C ATOM 1569 C ILE A 101 -4.639 -13.523 -1.144 1.00 0.00 C ATOM 1570 O ILE A 101 -5.832 -13.320 -1.029 1.00 0.00 O ATOM 1571 CB ILE A 101 -4.759 -15.890 -1.996 1.00 0.00 C ATOM 1572 CG1 ILE A 101 -6.256 -15.958 -1.666 1.00 0.00 C ATOM 1573 CG2 ILE A 101 -4.146 -17.287 -1.865 1.00 0.00 C ATOM 1574 CD1 ILE A 101 -7.042 -15.137 -2.689 1.00 0.00 C ATOM 0 H ILE A 101 -4.908 -16.327 0.354 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.991 -14.857 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.631 -15.527 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.595 -16.994 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.435 -15.575 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -4.644 -17.969 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.083 -17.242 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.274 -17.646 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.105 -15.185 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.710 -14.099 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.872 -15.540 -3.687 1.00 0.00 H new ATOM 1586 N SER A 102 -3.802 -12.546 -1.373 1.00 0.00 N ATOM 1587 CA SER A 102 -4.300 -11.145 -1.499 1.00 0.00 C ATOM 1588 C SER A 102 -3.353 -10.326 -2.381 1.00 0.00 C ATOM 1589 O SER A 102 -2.947 -9.236 -2.026 1.00 0.00 O ATOM 1590 CB SER A 102 -4.310 -10.600 -0.071 1.00 0.00 C ATOM 1591 OG SER A 102 -4.556 -9.200 -0.104 1.00 0.00 O ATOM 0 H SER A 102 -2.794 -12.658 -1.478 1.00 0.00 H new ATOM 0 HA SER A 102 -5.286 -11.095 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.078 -11.102 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.355 -10.802 0.414 1.00 0.00 H new ATOM 0 HG SER A 102 -3.828 -8.751 -0.582 1.00 0.00 H new ATOM 1597 N ARG A 103 -2.999 -10.843 -3.527 1.00 0.00 N ATOM 1598 CA ARG A 103 -2.078 -10.097 -4.434 1.00 0.00 C ATOM 1599 C ARG A 103 -2.828 -8.955 -5.127 1.00 0.00 C ATOM 1600 O ARG A 103 -3.324 -9.106 -6.226 1.00 0.00 O ATOM 1601 CB ARG A 103 -1.602 -11.132 -5.458 1.00 0.00 C ATOM 1602 CG ARG A 103 -0.739 -10.451 -6.525 1.00 0.00 C ATOM 1603 CD ARG A 103 0.491 -9.817 -5.869 1.00 0.00 C ATOM 1604 NE ARG A 103 1.449 -9.591 -6.986 1.00 0.00 N ATOM 1605 CZ ARG A 103 2.330 -8.633 -6.906 1.00 0.00 C ATOM 1606 NH1 ARG A 103 1.966 -7.443 -6.512 1.00 0.00 N ATOM 1607 NH2 ARG A 103 3.575 -8.864 -7.220 1.00 0.00 N ATOM 0 H ARG A 103 -3.308 -11.751 -3.875 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.244 -9.646 -3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.029 -11.913 -4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.460 -11.615 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.428 -11.179 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.320 -9.688 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.235 -8.881 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.917 -10.474 -5.111 1.00 0.00 H new ATOM 0 HE ARG A 103 1.416 -10.186 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.993 -7.263 -6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.655 -6.694 -6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.859 -9.794 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.264 -8.115 -7.157 1.00 0.00 H new ATOM 1621 N LEU A 104 -2.906 -7.815 -4.490 1.00 0.00 N ATOM 1622 CA LEU A 104 -3.617 -6.646 -5.096 1.00 0.00 C ATOM 1623 C LEU A 104 -5.072 -7.003 -5.418 1.00 0.00 C ATOM 1624 O LEU A 104 -5.411 -8.151 -5.631 1.00 0.00 O ATOM 1625 CB LEU A 104 -2.844 -6.316 -6.378 1.00 0.00 C ATOM 1626 CG LEU A 104 -3.486 -5.109 -7.068 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -2.395 -4.164 -7.573 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -4.334 -5.586 -8.248 1.00 0.00 C ATOM 0 H LEU A 104 -2.505 -7.641 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.649 -5.796 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.802 -6.101 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.848 -7.175 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.119 -4.581 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.855 -3.306 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.793 -3.821 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.758 -4.690 -8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.791 -4.727 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.701 -6.116 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.115 -6.255 -7.888 1.00 0.00 H new ATOM 1640 N LYS A 105 -5.935 -6.024 -5.456 1.00 0.00 N ATOM 1641 CA LYS A 105 -7.366 -6.302 -5.766 1.00 0.00 C ATOM 1642 C LYS A 105 -7.909 -5.263 -6.751 1.00 0.00 C ATOM 1643 O LYS A 105 -8.485 -5.611 -7.762 1.00 0.00 O ATOM 1644 CB LYS A 105 -8.092 -6.216 -4.425 1.00 0.00 C ATOM 1645 CG LYS A 105 -8.520 -7.615 -3.982 1.00 0.00 C ATOM 1646 CD LYS A 105 -7.418 -8.228 -3.117 1.00 0.00 C ATOM 1647 CE LYS A 105 -7.797 -9.664 -2.744 1.00 0.00 C ATOM 1648 NZ LYS A 105 -8.292 -9.579 -1.342 1.00 0.00 N ATOM 0 H LYS A 105 -5.711 -5.044 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.504 -7.277 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.439 -5.770 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.965 -5.569 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.453 -7.562 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.707 -8.244 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.471 -8.220 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.276 -7.633 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.565 -10.056 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.939 -10.331 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.571 -10.526 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.537 -9.209 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.113 -8.942 -1.302 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.733 -3.990 -6.479 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.254 -2.970 -7.438 1.00 0.00 C ATOM 1664 C TYR A 106 -7.305 -1.760 -7.544 1.00 0.00 C ATOM 1665 O TYR A 106 -6.955 -1.166 -6.543 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.605 -2.518 -6.881 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.124 -1.403 -7.759 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.510 -1.674 -9.076 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.181 -0.097 -7.269 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.958 -0.637 -9.901 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -10.625 0.943 -8.096 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.014 0.672 -9.412 1.00 0.00 C ATOM 1673 OH TYR A 106 -11.452 1.696 -10.227 1.00 0.00 O ATOM 0 H TYR A 106 -7.262 -3.622 -5.653 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.341 -3.394 -8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.309 -3.350 -6.867 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.497 -2.174 -5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.462 -2.684 -9.456 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.883 0.112 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.261 -0.847 -10.916 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.667 1.954 -7.718 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.430 2.541 -9.731 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.938 -1.414 -8.761 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.052 -0.248 -8.990 1.00 0.00 C ATOM 1685 C PRO A 107 -6.747 1.068 -8.597 1.00 0.00 C ATOM 1686 O PRO A 107 -7.882 1.317 -8.954 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.805 -0.304 -10.503 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.565 -1.508 -11.088 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.368 -2.172 -9.965 1.00 0.00 C ATOM 0 HA PRO A 107 -5.138 -0.281 -8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.142 0.619 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.738 -0.396 -10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.231 -1.183 -11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.866 -2.221 -11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.442 -2.090 -10.133 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.139 -3.234 -9.877 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.055 1.909 -7.876 1.00 0.00 N ATOM 1698 CA VAL A 108 -6.628 3.227 -7.453 1.00 0.00 C ATOM 1699 C VAL A 108 -5.502 4.275 -7.375 1.00 0.00 C ATOM 1700 O VAL A 108 -4.397 3.966 -6.977 1.00 0.00 O ATOM 1701 CB VAL A 108 -7.210 2.980 -6.057 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -7.689 4.304 -5.455 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -8.392 2.021 -6.158 1.00 0.00 C ATOM 0 H VAL A 108 -5.102 1.739 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.380 3.597 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.438 2.547 -5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.102 4.124 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.849 4.994 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.458 4.738 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.805 1.846 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.159 2.456 -6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.058 1.075 -6.583 1.00 0.00 H new ATOM 1713 N SER A 109 -5.768 5.509 -7.736 1.00 0.00 N ATOM 1714 CA SER A 109 -4.700 6.548 -7.659 1.00 0.00 C ATOM 1715 C SER A 109 -5.188 7.766 -6.888 1.00 0.00 C ATOM 1716 O SER A 109 -6.074 8.474 -7.326 1.00 0.00 O ATOM 1717 CB SER A 109 -4.402 6.969 -9.095 1.00 0.00 C ATOM 1718 OG SER A 109 -4.280 5.822 -9.915 1.00 0.00 O ATOM 0 H SER A 109 -6.672 5.836 -8.077 1.00 0.00 H new ATOM 0 HA SER A 109 -3.821 6.151 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.200 7.611 -9.468 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.481 7.552 -9.129 1.00 0.00 H new ATOM 0 HG SER A 109 -3.416 5.390 -9.747 1.00 0.00 H new ATOM 1724 N GLN A 110 -4.588 8.041 -5.766 1.00 0.00 N ATOM 1725 CA GLN A 110 -4.977 9.244 -4.978 1.00 0.00 C ATOM 1726 C GLN A 110 -6.502 9.354 -4.852 1.00 0.00 C ATOM 1727 O GLN A 110 -7.222 8.393 -5.037 1.00 0.00 O ATOM 1728 CB GLN A 110 -4.433 10.434 -5.784 1.00 0.00 C ATOM 1729 CG GLN A 110 -3.300 9.981 -6.717 1.00 0.00 C ATOM 1730 CD GLN A 110 -2.395 11.172 -7.039 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -2.498 11.759 -8.098 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -1.504 11.556 -6.165 1.00 0.00 N ATOM 0 H GLN A 110 -3.840 7.481 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.581 9.204 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.236 10.882 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.066 11.203 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.721 9.188 -6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.715 9.568 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.417 11.064 -5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.895 12.348 -6.372 1.00 0.00 H new ATOM 1741 N GLN A 111 -6.990 10.528 -4.549 1.00 0.00 N ATOM 1742 CA GLN A 111 -8.461 10.721 -4.417 1.00 0.00 C ATOM 1743 C GLN A 111 -9.139 10.511 -5.779 1.00 0.00 C ATOM 1744 O GLN A 111 -8.708 9.698 -6.572 1.00 0.00 O ATOM 1745 CB GLN A 111 -8.627 12.164 -3.924 1.00 0.00 C ATOM 1746 CG GLN A 111 -8.011 13.135 -4.938 1.00 0.00 C ATOM 1747 CD GLN A 111 -8.767 14.465 -4.894 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -9.224 14.950 -5.910 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -8.916 15.079 -3.754 1.00 0.00 N ATOM 0 H GLN A 111 -6.429 11.364 -4.387 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.922 10.012 -3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.684 12.391 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.145 12.284 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.957 13.296 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.059 12.710 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.532 14.672 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.416 15.967 -3.715 1.00 0.00 H new ATOM 1758 N ASN A 112 -10.201 11.231 -6.056 1.00 0.00 N ATOM 1759 CA ASN A 112 -10.907 11.061 -7.363 1.00 0.00 C ATOM 1760 C ASN A 112 -11.450 9.638 -7.462 1.00 0.00 C ATOM 1761 O ASN A 112 -10.968 8.826 -8.226 1.00 0.00 O ATOM 1762 CB ASN A 112 -9.851 11.325 -8.445 1.00 0.00 C ATOM 1763 CG ASN A 112 -10.320 12.465 -9.353 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -10.109 13.622 -9.051 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -10.951 12.183 -10.460 1.00 0.00 N ATOM 0 H ASN A 112 -10.608 11.928 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.752 11.740 -7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -8.898 11.583 -7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.685 10.423 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.267 12.935 -11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.128 11.211 -10.713 1.00 0.00 H new ATOM 1772 N LYS A 113 -12.445 9.330 -6.677 1.00 0.00 N ATOM 1773 CA LYS A 113 -13.018 7.956 -6.702 1.00 0.00 C ATOM 1774 C LYS A 113 -13.753 7.714 -8.023 1.00 0.00 C ATOM 1775 O LYS A 113 -14.963 7.806 -8.096 1.00 0.00 O ATOM 1776 CB LYS A 113 -13.998 7.907 -5.525 1.00 0.00 C ATOM 1777 CG LYS A 113 -13.284 8.298 -4.222 1.00 0.00 C ATOM 1778 CD LYS A 113 -11.978 7.507 -4.073 1.00 0.00 C ATOM 1779 CE LYS A 113 -10.784 8.426 -4.351 1.00 0.00 C ATOM 1780 NZ LYS A 113 -9.907 7.653 -5.277 1.00 0.00 N ATOM 0 H LYS A 113 -12.886 9.972 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 113 -12.248 7.188 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.832 8.585 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.416 6.905 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -13.072 9.367 -4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -13.935 8.103 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -11.905 7.093 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -11.970 6.665 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.105 9.364 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.259 8.680 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.072 7.310 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.435 6.842 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.602 8.267 -6.059 1.00 0.00 H new ATOM 1794 N ASN A 114 -13.030 7.407 -9.066 1.00 0.00 N ATOM 1795 CA ASN A 114 -13.686 7.161 -10.384 1.00 0.00 C ATOM 1796 C ASN A 114 -12.726 6.430 -11.328 1.00 0.00 C ATOM 1797 O ASN A 114 -12.985 5.322 -11.754 1.00 0.00 O ATOM 1798 CB ASN A 114 -14.018 8.551 -10.925 1.00 0.00 C ATOM 1799 CG ASN A 114 -15.531 8.682 -11.118 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -15.990 9.283 -12.180 1.00 0.00 O flip ATOM 1801 ND2 ASN A 114 -16.301 8.232 -10.293 1.00 0.00 N flip ATOM 0 H ASN A 114 -12.014 7.316 -9.063 1.00 0.00 H new ATOM 0 HA ASN A 114 -14.574 6.536 -10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.662 9.315 -10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.505 8.715 -11.873 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.941 7.762 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -17.307 8.324 -10.431 1.00 0.00 H new ATOM 1808 N ALA A 115 -11.620 7.046 -11.657 1.00 0.00 N ATOM 1809 CA ALA A 115 -10.636 6.394 -12.577 1.00 0.00 C ATOM 1810 C ALA A 115 -11.330 5.940 -13.870 1.00 0.00 C ATOM 1811 O ALA A 115 -11.436 4.758 -14.128 1.00 0.00 O ATOM 1812 CB ALA A 115 -10.100 5.190 -11.800 1.00 0.00 C ATOM 0 H ALA A 115 -11.354 7.974 -11.328 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.838 7.075 -12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.370 4.659 -12.411 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.624 5.533 -10.881 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.924 4.520 -11.554 1.00 0.00 H new ATOM 1818 N PRO A 116 -11.783 6.897 -14.645 1.00 0.00 N ATOM 1819 CA PRO A 116 -12.473 6.583 -15.919 1.00 0.00 C ATOM 1820 C PRO A 116 -11.535 5.827 -16.865 1.00 0.00 C ATOM 1821 O PRO A 116 -10.478 5.371 -16.474 1.00 0.00 O ATOM 1822 CB PRO A 116 -12.810 7.973 -16.471 1.00 0.00 C ATOM 1823 CG PRO A 116 -12.297 9.038 -15.482 1.00 0.00 C ATOM 1824 CD PRO A 116 -11.634 8.330 -14.293 1.00 0.00 C ATOM 0 HA PRO A 116 -13.349 5.945 -15.798 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -12.349 8.113 -17.449 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -13.887 8.073 -16.609 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -11.583 9.698 -15.975 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.122 9.662 -15.138 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -10.587 8.614 -14.185 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -12.128 8.570 -13.352 1.00 0.00 H new ATOM 1832 N SER A 117 -11.915 5.689 -18.110 1.00 0.00 N ATOM 1833 CA SER A 117 -11.051 4.960 -19.089 1.00 0.00 C ATOM 1834 C SER A 117 -10.674 3.579 -18.546 1.00 0.00 C ATOM 1835 O SER A 117 -9.689 3.423 -17.850 1.00 0.00 O ATOM 1836 CB SER A 117 -9.805 5.832 -19.249 1.00 0.00 C ATOM 1837 OG SER A 117 -9.075 5.403 -20.391 1.00 0.00 O ATOM 0 H SER A 117 -12.789 6.051 -18.492 1.00 0.00 H new ATOM 0 HA SER A 117 -11.559 4.796 -20.040 1.00 0.00 H new ATOM 0 HB2 SER A 117 -10.091 6.878 -19.358 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.182 5.763 -18.358 1.00 0.00 H new ATOM 0 HG SER A 117 -8.276 5.961 -20.497 1.00 0.00 H new ATOM 1843 N THR A 118 -11.451 2.577 -18.858 1.00 0.00 N ATOM 1844 CA THR A 118 -11.141 1.204 -18.361 1.00 0.00 C ATOM 1845 C THR A 118 -10.947 0.246 -19.539 1.00 0.00 C ATOM 1846 O THR A 118 -9.819 -0.161 -19.766 1.00 0.00 O ATOM 1847 CB THR A 118 -12.361 0.798 -17.533 1.00 0.00 C ATOM 1848 OG1 THR A 118 -12.662 1.826 -16.600 1.00 0.00 O ATOM 1849 CG2 THR A 118 -12.063 -0.502 -16.786 1.00 0.00 C ATOM 0 H THR A 118 -12.288 2.649 -19.436 1.00 0.00 H new ATOM 0 HA THR A 118 -10.223 1.174 -17.775 1.00 0.00 H new ATOM 0 HB THR A 118 -13.215 0.646 -18.193 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.445 1.568 -16.070 1.00 0.00 H new ATOM 0 HG21 THR A 118 -12.933 -0.790 -16.196 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.834 -1.290 -17.504 1.00 0.00 H new ATOM 0 HG23 THR A 118 -11.209 -0.354 -16.125 1.00 0.00 H new TER 1857 THR A 118