USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 943 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 105 ASN : amide:sc= -0.246 K(o=-0.16,f=-2.7!) USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.238 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00758 USER MOD Single : A 44 SER OG : rot -130:sc= 0.00264 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -29:sc= 0.75 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -25:sc= 0.546 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.29) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -95:sc= 1.13 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -123:sc= 1.25 USER MOD Single : A 99 THR OG1 : rot -67:sc= 2.43 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 103:sc= 1.29 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -126:sc= 0.893 (180deg=-0.447) USER MOD Single : A 115 SER OG : rot 44:sc= 0.0785 USER MOD Single : A 133 HIS : no HD1:sc= -0.0805 X(o=-0.081,f=-0.017) USER MOD Single : A 134 THR OG1 : rot -52:sc= 0.121 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -2.33 K(o=-2.3,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 4 -21.506 8.128 1.153 1.00 0.00 N ATOM 32 CA GLY A 4 -20.297 8.864 1.481 1.00 0.00 C ATOM 33 C GLY A 4 -20.329 10.249 0.849 1.00 0.00 C ATOM 34 O GLY A 4 -21.306 10.629 0.193 1.00 0.00 O ATOM 0 HA2 GLY A 4 -20.201 8.954 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.423 8.316 1.127 1.00 0.00 H new ATOM 38 N GLU A 5 -19.241 10.998 0.984 1.00 0.00 N ATOM 39 CA GLU A 5 -19.112 12.349 0.453 1.00 0.00 C ATOM 40 C GLU A 5 -17.675 12.542 -0.037 1.00 0.00 C ATOM 41 O GLU A 5 -16.764 12.029 0.615 1.00 0.00 O ATOM 42 CB GLU A 5 -19.450 13.324 1.593 1.00 0.00 C ATOM 43 CG GLU A 5 -19.495 14.794 1.170 1.00 0.00 C ATOM 44 CD GLU A 5 -20.046 15.664 2.298 1.00 0.00 C ATOM 45 OE1 GLU A 5 -19.270 16.060 3.196 1.00 0.00 O ATOM 46 OE2 GLU A 5 -21.261 15.963 2.274 1.00 0.00 O ATOM 0 H GLU A 5 -18.407 10.676 1.476 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.785 12.527 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.417 13.050 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.711 13.208 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.494 15.131 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.118 14.903 0.282 1.00 0.00 H new ATOM 53 N PRO A 6 -17.434 13.178 -1.199 1.00 0.00 N ATOM 54 CA PRO A 6 -16.076 13.406 -1.656 1.00 0.00 C ATOM 55 C PRO A 6 -15.481 14.459 -0.709 1.00 0.00 C ATOM 56 O PRO A 6 -16.126 15.481 -0.448 1.00 0.00 O ATOM 57 CB PRO A 6 -16.183 13.862 -3.106 1.00 0.00 C ATOM 58 CG PRO A 6 -17.559 14.522 -3.172 1.00 0.00 C ATOM 59 CD PRO A 6 -18.386 13.809 -2.097 1.00 0.00 C ATOM 0 HA PRO A 6 -15.423 12.533 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -15.389 14.562 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.107 13.023 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.494 15.592 -2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -18.007 14.405 -4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.017 14.517 -1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.048 13.068 -2.544 1.00 0.00 H new ATOM 67 N LEU A 7 -14.268 14.226 -0.200 1.00 0.00 N ATOM 68 CA LEU A 7 -13.583 15.080 0.737 1.00 0.00 C ATOM 69 C LEU A 7 -12.283 15.488 0.084 1.00 0.00 C ATOM 70 O LEU A 7 -11.474 14.637 -0.276 1.00 0.00 O ATOM 71 CB LEU A 7 -13.364 14.296 2.048 1.00 0.00 C ATOM 72 CG LEU A 7 -13.125 15.133 3.319 1.00 0.00 C ATOM 73 CD1 LEU A 7 -11.988 16.154 3.190 1.00 0.00 C ATOM 74 CD2 LEU A 7 -14.412 15.830 3.773 1.00 0.00 C ATOM 0 H LEU A 7 -13.725 13.399 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.151 15.976 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.235 13.662 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.509 13.633 1.910 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.811 14.417 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.883 16.702 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.056 15.634 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.215 16.852 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.212 16.413 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.766 16.492 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.175 15.082 3.988 1.00 0.00 H new ATOM 86 N VAL A 8 -12.131 16.772 -0.170 1.00 0.00 N ATOM 87 CA VAL A 8 -10.938 17.360 -0.759 1.00 0.00 C ATOM 88 C VAL A 8 -10.322 18.171 0.383 1.00 0.00 C ATOM 89 O VAL A 8 -10.987 19.027 0.971 1.00 0.00 O ATOM 90 CB VAL A 8 -11.253 18.174 -2.025 1.00 0.00 C ATOM 91 CG1 VAL A 8 -9.951 18.724 -2.624 1.00 0.00 C ATOM 92 CG2 VAL A 8 -11.940 17.286 -3.076 1.00 0.00 C ATOM 0 H VAL A 8 -12.856 17.460 0.033 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.232 16.617 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.917 18.994 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.178 19.300 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.458 19.367 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.291 17.896 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.156 17.877 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.281 16.459 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.870 16.892 -2.667 1.00 0.00 H new ATOM 102 N GLY A 9 -9.081 17.850 0.736 1.00 0.00 N ATOM 103 CA GLY A 9 -8.314 18.467 1.804 1.00 0.00 C ATOM 104 C GLY A 9 -7.873 19.905 1.551 1.00 0.00 C ATOM 105 O GLY A 9 -8.488 20.673 0.794 1.00 0.00 O ATOM 0 H GLY A 9 -8.560 17.115 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.910 18.444 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.427 17.861 1.988 1.00 0.00 H new ATOM 109 N GLY A 10 -6.844 20.272 2.310 1.00 0.00 N ATOM 110 CA GLY A 10 -6.197 21.564 2.286 1.00 0.00 C ATOM 111 C GLY A 10 -5.120 21.563 1.218 1.00 0.00 C ATOM 112 O GLY A 10 -5.265 20.928 0.173 1.00 0.00 O ATOM 0 H GLY A 10 -6.424 19.638 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.928 22.346 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.760 21.783 3.260 1.00 0.00 H new ATOM 116 N ASP A 11 -4.073 22.336 1.469 1.00 0.00 N ATOM 117 CA ASP A 11 -2.903 22.504 0.606 1.00 0.00 C ATOM 118 C ASP A 11 -1.730 23.026 1.419 1.00 0.00 C ATOM 119 O ASP A 11 -0.953 23.912 1.064 1.00 0.00 O ATOM 120 CB ASP A 11 -3.211 23.401 -0.564 1.00 0.00 C ATOM 121 CG ASP A 11 -3.625 24.828 -0.188 1.00 0.00 C ATOM 122 OD1 ASP A 11 -4.732 25.007 0.374 1.00 0.00 O ATOM 123 OD2 ASP A 11 -2.954 25.812 -0.560 1.00 0.00 O ATOM 0 H ASP A 11 -4.009 22.892 2.321 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.629 21.532 0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.332 23.450 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.011 22.948 -1.150 1.00 0.00 H new ATOM 128 N THR A 12 -1.700 22.433 2.586 1.00 0.00 N ATOM 129 CA THR A 12 -0.785 22.635 3.680 1.00 0.00 C ATOM 130 C THR A 12 -0.350 21.285 4.227 1.00 0.00 C ATOM 131 O THR A 12 0.655 20.707 3.808 1.00 0.00 O ATOM 132 CB THR A 12 -1.416 23.626 4.694 1.00 0.00 C ATOM 133 OG1 THR A 12 -2.764 23.282 4.973 1.00 0.00 O ATOM 134 CG2 THR A 12 -1.406 25.071 4.180 1.00 0.00 C ATOM 0 H THR A 12 -2.392 21.720 2.817 1.00 0.00 H new ATOM 0 HA THR A 12 0.143 23.114 3.368 1.00 0.00 H new ATOM 0 HB THR A 12 -0.806 23.556 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.138 23.920 5.616 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.858 25.725 4.925 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.378 25.385 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.974 25.131 3.252 1.00 0.00 H new ATOM 142 N ASP A 13 -1.126 20.865 5.194 1.00 0.00 N ATOM 143 CA ASP A 13 -1.092 19.655 6.005 1.00 0.00 C ATOM 144 C ASP A 13 -2.438 19.524 6.702 1.00 0.00 C ATOM 145 O ASP A 13 -2.974 20.495 7.257 1.00 0.00 O ATOM 146 CB ASP A 13 -0.009 19.821 7.076 1.00 0.00 C ATOM 147 CG ASP A 13 -0.031 18.899 8.305 1.00 0.00 C ATOM 148 OD1 ASP A 13 -0.559 17.759 8.280 1.00 0.00 O ATOM 149 OD2 ASP A 13 0.468 19.361 9.359 1.00 0.00 O ATOM 0 H ASP A 13 -1.915 21.446 5.477 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.886 18.780 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.958 19.697 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.056 20.849 7.435 1.00 0.00 H new ATOM 154 N ASP A 14 -2.976 18.317 6.671 1.00 0.00 N ATOM 155 CA ASP A 14 -4.235 17.911 7.276 1.00 0.00 C ATOM 156 C ASP A 14 -4.201 16.403 7.461 1.00 0.00 C ATOM 157 O ASP A 14 -3.235 15.714 7.107 1.00 0.00 O ATOM 158 CB ASP A 14 -5.474 18.299 6.449 1.00 0.00 C ATOM 159 CG ASP A 14 -6.583 18.874 7.329 1.00 0.00 C ATOM 160 OD1 ASP A 14 -7.137 18.142 8.180 1.00 0.00 O ATOM 161 OD2 ASP A 14 -6.938 20.067 7.168 1.00 0.00 O ATOM 0 H ASP A 14 -2.516 17.543 6.191 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.330 18.438 8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.192 19.032 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.847 17.422 5.919 1.00 0.00 H new ATOM 166 N GLN A 15 -5.256 15.895 8.076 1.00 0.00 N ATOM 167 CA GLN A 15 -5.437 14.478 8.343 1.00 0.00 C ATOM 168 C GLN A 15 -6.812 14.101 7.821 1.00 0.00 C ATOM 169 O GLN A 15 -7.837 14.549 8.340 1.00 0.00 O ATOM 170 CB GLN A 15 -5.129 14.145 9.816 1.00 0.00 C ATOM 171 CG GLN A 15 -4.867 12.659 10.095 1.00 0.00 C ATOM 172 CD GLN A 15 -5.337 12.192 11.472 1.00 0.00 C ATOM 173 OE1 GLN A 15 -6.524 12.171 11.789 1.00 0.00 O ATOM 174 NE2 GLN A 15 -4.416 11.807 12.348 1.00 0.00 N ATOM 0 H GLN A 15 -6.029 16.470 8.411 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.721 13.849 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.257 14.719 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.966 14.474 10.432 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.366 12.063 9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.798 12.466 10.002 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.429 11.822 12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.695 11.496 13.278 1.00 0.00 H new ATOM 183 N LEU A 16 -6.836 13.341 6.728 1.00 0.00 N ATOM 184 CA LEU A 16 -8.044 12.906 6.066 1.00 0.00 C ATOM 185 C LEU A 16 -8.303 11.445 6.419 1.00 0.00 C ATOM 186 O LEU A 16 -7.397 10.609 6.355 1.00 0.00 O ATOM 187 CB LEU A 16 -7.890 13.100 4.554 1.00 0.00 C ATOM 188 CG LEU A 16 -7.679 14.543 4.041 1.00 0.00 C ATOM 189 CD1 LEU A 16 -6.213 14.998 4.047 1.00 0.00 C ATOM 190 CD2 LEU A 16 -8.176 14.605 2.591 1.00 0.00 C ATOM 0 H LEU A 16 -5.987 13.006 6.273 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.898 13.497 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.045 12.497 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.780 12.697 4.070 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.226 15.203 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.148 16.020 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.824 14.958 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.625 14.340 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.039 15.614 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.609 13.901 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.234 14.344 2.557 1.00 0.00 H new ATOM 202 N GLN A 17 -9.543 11.145 6.797 1.00 0.00 N ATOM 203 CA GLN A 17 -10.019 9.815 7.165 1.00 0.00 C ATOM 204 C GLN A 17 -11.316 9.483 6.409 1.00 0.00 C ATOM 205 O GLN A 17 -12.132 10.372 6.153 1.00 0.00 O ATOM 206 CB GLN A 17 -10.112 9.665 8.706 1.00 0.00 C ATOM 207 CG GLN A 17 -11.472 9.287 9.342 1.00 0.00 C ATOM 208 CD GLN A 17 -11.273 8.402 10.570 1.00 0.00 C ATOM 209 OE1 GLN A 17 -11.355 8.838 11.719 1.00 0.00 O ATOM 210 NE2 GLN A 17 -10.995 7.129 10.357 1.00 0.00 N ATOM 0 H GLN A 17 -10.275 11.853 6.858 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.294 9.064 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.386 8.910 9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.793 10.609 9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.010 10.192 9.625 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.088 8.766 8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.929 6.774 9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.847 6.500 11.146 1.00 0.00 H new ATOM 219 N GLY A 18 -11.527 8.206 6.089 1.00 0.00 N ATOM 220 CA GLY A 18 -12.704 7.674 5.409 1.00 0.00 C ATOM 221 C GLY A 18 -13.540 7.063 6.527 1.00 0.00 C ATOM 222 O GLY A 18 -14.419 7.735 7.072 1.00 0.00 O ATOM 0 H GLY A 18 -10.846 7.479 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.251 8.459 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.429 6.927 4.664 1.00 0.00 H new ATOM 226 N GLY A 19 -13.263 5.825 6.945 1.00 0.00 N ATOM 227 CA GLY A 19 -13.970 5.173 8.047 1.00 0.00 C ATOM 228 C GLY A 19 -14.338 3.716 7.812 1.00 0.00 C ATOM 229 O GLY A 19 -13.568 2.830 8.172 1.00 0.00 O ATOM 0 H GLY A 19 -12.537 5.245 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.350 5.234 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.883 5.732 8.253 1.00 0.00 H new ATOM 233 N SER A 20 -15.538 3.472 7.281 1.00 0.00 N ATOM 234 CA SER A 20 -16.061 2.130 7.013 1.00 0.00 C ATOM 235 C SER A 20 -17.037 2.074 5.820 1.00 0.00 C ATOM 236 O SER A 20 -17.494 0.997 5.409 1.00 0.00 O ATOM 237 CB SER A 20 -16.805 1.634 8.259 1.00 0.00 C ATOM 238 OG SER A 20 -16.152 1.898 9.496 1.00 0.00 O ATOM 0 H SER A 20 -16.186 4.215 7.020 1.00 0.00 H new ATOM 0 HA SER A 20 -15.204 1.504 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.792 2.095 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.957 0.559 8.168 1.00 0.00 H new ATOM 0 HG SER A 20 -16.695 1.550 10.234 1.00 0.00 H new ATOM 244 N GLY A 21 -17.423 3.227 5.277 1.00 0.00 N ATOM 245 CA GLY A 21 -18.338 3.401 4.175 1.00 0.00 C ATOM 246 C GLY A 21 -17.677 3.325 2.804 1.00 0.00 C ATOM 247 O GLY A 21 -16.702 2.602 2.605 1.00 0.00 O ATOM 0 H GLY A 21 -17.075 4.119 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -19.114 2.638 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.833 4.367 4.276 1.00 0.00 H new ATOM 251 N ALA A 22 -18.360 3.883 1.803 1.00 0.00 N ATOM 252 CA ALA A 22 -17.887 3.984 0.429 1.00 0.00 C ATOM 253 C ALA A 22 -17.918 5.491 0.181 1.00 0.00 C ATOM 254 O ALA A 22 -18.963 6.051 -0.154 1.00 0.00 O ATOM 255 CB ALA A 22 -18.709 3.133 -0.549 1.00 0.00 C ATOM 0 H ALA A 22 -19.287 4.289 1.935 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.890 3.573 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -18.310 3.249 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -18.653 2.085 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.749 3.460 -0.531 1.00 0.00 H new ATOM 261 N ASP A 23 -16.778 6.136 0.386 1.00 0.00 N ATOM 262 CA ASP A 23 -16.492 7.563 0.278 1.00 0.00 C ATOM 263 C ASP A 23 -15.256 7.800 -0.590 1.00 0.00 C ATOM 264 O ASP A 23 -14.762 6.843 -1.213 1.00 0.00 O ATOM 265 CB ASP A 23 -16.529 8.281 1.629 1.00 0.00 C ATOM 266 CG ASP A 23 -15.294 8.153 2.515 1.00 0.00 C ATOM 267 OD1 ASP A 23 -14.483 7.229 2.288 1.00 0.00 O ATOM 268 OD2 ASP A 23 -15.208 8.979 3.450 1.00 0.00 O ATOM 0 H ASP A 23 -15.942 5.620 0.661 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.305 8.052 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.705 9.341 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.387 7.907 2.188 1.00 0.00 H new ATOM 273 N ARG A 24 -14.977 9.070 -0.916 1.00 0.00 N ATOM 274 CA ARG A 24 -13.846 9.449 -1.759 1.00 0.00 C ATOM 275 C ARG A 24 -12.988 10.596 -1.188 1.00 0.00 C ATOM 276 O ARG A 24 -13.339 11.761 -1.397 1.00 0.00 O ATOM 277 CB ARG A 24 -14.440 9.743 -3.131 1.00 0.00 C ATOM 278 CG ARG A 24 -13.432 10.332 -4.110 1.00 0.00 C ATOM 279 CD ARG A 24 -13.878 9.960 -5.515 1.00 0.00 C ATOM 280 NE ARG A 24 -13.370 10.946 -6.464 1.00 0.00 N ATOM 281 CZ ARG A 24 -13.577 10.990 -7.775 1.00 0.00 C ATOM 282 NH1 ARG A 24 -14.209 10.006 -8.409 1.00 0.00 N ATOM 283 NH2 ARG A 24 -13.108 12.025 -8.456 1.00 0.00 N ATOM 0 H ARG A 24 -15.535 9.863 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.119 8.639 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.846 8.822 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.274 10.436 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.380 11.415 -4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.433 9.943 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.510 8.967 -5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.966 9.919 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.788 11.688 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.546 9.197 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.357 10.061 -9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.600 12.766 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.254 12.081 -9.464 1.00 0.00 H new ATOM 297 N LEU A 25 -11.830 10.335 -0.571 1.00 0.00 N ATOM 298 CA LEU A 25 -10.963 11.390 -0.017 1.00 0.00 C ATOM 299 C LEU A 25 -9.827 11.741 -0.990 1.00 0.00 C ATOM 300 O LEU A 25 -9.355 10.880 -1.734 1.00 0.00 O ATOM 301 CB LEU A 25 -10.428 11.054 1.392 1.00 0.00 C ATOM 302 CG LEU A 25 -9.256 10.048 1.503 1.00 0.00 C ATOM 303 CD1 LEU A 25 -8.466 10.318 2.782 1.00 0.00 C ATOM 304 CD2 LEU A 25 -9.711 8.596 1.537 1.00 0.00 C ATOM 0 H LEU A 25 -11.465 9.391 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.588 12.275 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.114 11.986 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.259 10.665 1.981 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.646 10.192 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.642 9.608 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.070 11.333 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.122 10.205 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.841 7.944 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.361 8.439 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.257 8.364 0.622 1.00 0.00 H new ATOM 316 N ASP A 26 -9.340 12.984 -0.929 1.00 0.00 N ATOM 317 CA ASP A 26 -8.273 13.535 -1.782 1.00 0.00 C ATOM 318 C ASP A 26 -7.491 14.641 -1.100 1.00 0.00 C ATOM 319 O ASP A 26 -8.113 15.565 -0.577 1.00 0.00 O ATOM 320 CB ASP A 26 -8.987 14.114 -3.018 1.00 0.00 C ATOM 321 CG ASP A 26 -8.164 14.711 -4.165 1.00 0.00 C ATOM 322 OD1 ASP A 26 -6.947 14.958 -4.063 1.00 0.00 O ATOM 323 OD2 ASP A 26 -8.821 14.956 -5.212 1.00 0.00 O ATOM 0 H ASP A 26 -9.691 13.666 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.554 12.753 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.603 13.319 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.666 14.891 -2.667 1.00 0.00 H new ATOM 328 N GLY A 27 -6.155 14.556 -1.087 1.00 0.00 N ATOM 329 CA GLY A 27 -5.336 15.593 -0.462 1.00 0.00 C ATOM 330 C GLY A 27 -4.626 16.443 -1.512 1.00 0.00 C ATOM 331 O GLY A 27 -4.847 17.649 -1.622 1.00 0.00 O ATOM 0 H GLY A 27 -5.626 13.787 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.964 16.230 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.599 15.131 0.195 1.00 0.00 H new ATOM 335 N GLY A 28 -3.742 15.774 -2.244 1.00 0.00 N ATOM 336 CA GLY A 28 -2.839 16.172 -3.315 1.00 0.00 C ATOM 337 C GLY A 28 -2.507 17.638 -3.487 1.00 0.00 C ATOM 338 O GLY A 28 -2.715 18.161 -4.584 1.00 0.00 O ATOM 0 H GLY A 28 -3.628 14.776 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.901 15.637 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.266 15.819 -4.254 1.00 0.00 H new ATOM 342 N ALA A 29 -2.000 18.290 -2.443 1.00 0.00 N ATOM 343 CA ALA A 29 -1.616 19.686 -2.484 1.00 0.00 C ATOM 344 C ALA A 29 -0.625 20.049 -1.370 1.00 0.00 C ATOM 345 O ALA A 29 -0.501 21.230 -1.031 1.00 0.00 O ATOM 346 CB ALA A 29 -2.877 20.540 -2.417 1.00 0.00 C ATOM 0 H ALA A 29 -1.845 17.851 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.093 19.882 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.604 21.595 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.520 20.307 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.410 20.329 -1.490 1.00 0.00 H new ATOM 352 N GLY A 30 0.094 19.084 -0.801 1.00 0.00 N ATOM 353 CA GLY A 30 1.032 19.341 0.276 1.00 0.00 C ATOM 354 C GLY A 30 1.488 18.023 0.864 1.00 0.00 C ATOM 355 O GLY A 30 1.541 17.019 0.153 1.00 0.00 O ATOM 0 H GLY A 30 0.039 18.104 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.889 19.902 -0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.562 19.953 1.046 1.00 0.00 H new ATOM 359 N ASP A 31 1.932 18.087 2.115 1.00 0.00 N ATOM 360 CA ASP A 31 2.406 17.024 2.969 1.00 0.00 C ATOM 361 C ASP A 31 1.230 16.717 3.883 1.00 0.00 C ATOM 362 O ASP A 31 1.114 17.310 4.957 1.00 0.00 O ATOM 363 CB ASP A 31 3.639 17.483 3.747 1.00 0.00 C ATOM 364 CG ASP A 31 4.088 16.478 4.812 1.00 0.00 C ATOM 365 OD1 ASP A 31 4.083 15.250 4.568 1.00 0.00 O ATOM 366 OD2 ASP A 31 4.554 16.927 5.886 1.00 0.00 O ATOM 0 H ASP A 31 1.969 18.984 2.599 1.00 0.00 H new ATOM 0 HA ASP A 31 2.719 16.137 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.459 17.654 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.424 18.438 4.226 1.00 0.00 H new ATOM 371 N ASP A 32 0.340 15.835 3.443 1.00 0.00 N ATOM 372 CA ASP A 32 -0.879 15.429 4.126 1.00 0.00 C ATOM 373 C ASP A 32 -0.886 13.920 4.327 1.00 0.00 C ATOM 374 O ASP A 32 -0.039 13.188 3.801 1.00 0.00 O ATOM 375 CB ASP A 32 -2.145 15.826 3.344 1.00 0.00 C ATOM 376 CG ASP A 32 -2.206 17.279 2.854 1.00 0.00 C ATOM 377 OD1 ASP A 32 -2.686 18.127 3.641 1.00 0.00 O ATOM 378 OD2 ASP A 32 -1.826 17.530 1.687 1.00 0.00 O ATOM 0 H ASP A 32 0.458 15.358 2.549 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.892 15.945 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.235 15.168 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.012 15.641 3.978 1.00 0.00 H new ATOM 383 N ILE A 33 -1.787 13.457 5.187 1.00 0.00 N ATOM 384 CA ILE A 33 -1.963 12.037 5.479 1.00 0.00 C ATOM 385 C ILE A 33 -3.357 11.650 4.973 1.00 0.00 C ATOM 386 O ILE A 33 -4.315 12.410 5.161 1.00 0.00 O ATOM 387 CB ILE A 33 -1.654 11.725 6.961 1.00 0.00 C ATOM 388 CG1 ILE A 33 -2.783 11.748 7.951 1.00 0.00 C ATOM 389 CG2 ILE A 33 -0.393 12.456 7.466 1.00 0.00 C ATOM 390 CD1 ILE A 33 -3.812 10.603 7.780 1.00 0.00 C ATOM 0 H ILE A 33 -2.423 14.062 5.707 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.245 11.405 4.956 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.446 10.656 6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.368 11.699 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.303 12.702 7.867 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.220 12.203 8.512 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.468 12.150 6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.534 13.533 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.591 10.698 8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.260 10.662 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.310 9.642 7.895 1.00 0.00 H new ATOM 402 N LEU A 34 -3.482 10.484 4.326 1.00 0.00 N ATOM 403 CA LEU A 34 -4.745 9.992 3.780 1.00 0.00 C ATOM 404 C LEU A 34 -4.945 8.553 4.241 1.00 0.00 C ATOM 405 O LEU A 34 -4.063 7.702 4.127 1.00 0.00 O ATOM 406 CB LEU A 34 -4.797 10.076 2.239 1.00 0.00 C ATOM 407 CG LEU A 34 -4.744 11.492 1.640 1.00 0.00 C ATOM 408 CD1 LEU A 34 -3.315 11.978 1.375 1.00 0.00 C ATOM 409 CD2 LEU A 34 -5.495 11.455 0.307 1.00 0.00 C ATOM 0 H LEU A 34 -2.698 9.852 4.167 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.549 10.628 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.964 9.500 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.713 9.593 1.899 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.191 12.180 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.345 12.983 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.757 11.994 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.826 11.304 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.478 12.445 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.015 10.740 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.528 11.153 0.480 1.00 0.00 H new ATOM 421 N ASP A 35 -6.141 8.249 4.720 1.00 0.00 N ATOM 422 CA ASP A 35 -6.541 6.946 5.229 1.00 0.00 C ATOM 423 C ASP A 35 -8.011 6.759 4.875 1.00 0.00 C ATOM 424 O ASP A 35 -8.841 7.559 5.289 1.00 0.00 O ATOM 425 CB ASP A 35 -6.283 6.954 6.740 1.00 0.00 C ATOM 426 CG ASP A 35 -7.211 6.060 7.552 1.00 0.00 C ATOM 427 OD1 ASP A 35 -7.513 4.920 7.146 1.00 0.00 O ATOM 428 OD2 ASP A 35 -7.694 6.539 8.609 1.00 0.00 O ATOM 0 H ASP A 35 -6.894 8.935 4.767 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.984 6.115 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.254 6.644 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.376 7.977 7.105 1.00 0.00 H new ATOM 433 N GLY A 36 -8.347 5.765 4.056 1.00 0.00 N ATOM 434 CA GLY A 36 -9.729 5.509 3.667 1.00 0.00 C ATOM 435 C GLY A 36 -10.477 4.667 4.704 1.00 0.00 C ATOM 436 O GLY A 36 -11.706 4.682 4.755 1.00 0.00 O ATOM 0 H GLY A 36 -7.673 5.119 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.248 6.458 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.745 4.996 2.706 1.00 0.00 H new ATOM 440 N GLY A 37 -9.766 4.016 5.624 1.00 0.00 N ATOM 441 CA GLY A 37 -10.352 3.179 6.651 1.00 0.00 C ATOM 442 C GLY A 37 -10.854 1.872 6.050 1.00 0.00 C ATOM 443 O GLY A 37 -10.395 1.422 4.995 1.00 0.00 O ATOM 0 H GLY A 37 -8.748 4.061 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.613 2.971 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.176 3.706 7.132 1.00 0.00 H new ATOM 447 N ALA A 38 -11.711 1.201 6.812 1.00 0.00 N ATOM 448 CA ALA A 38 -12.326 -0.049 6.422 1.00 0.00 C ATOM 449 C ALA A 38 -13.313 0.212 5.285 1.00 0.00 C ATOM 450 O ALA A 38 -13.711 1.347 5.014 1.00 0.00 O ATOM 451 CB ALA A 38 -13.024 -0.681 7.624 1.00 0.00 C ATOM 0 H ALA A 38 -11.999 1.523 7.736 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.565 -0.746 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.485 -1.622 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.294 -0.870 8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.792 -0.003 7.997 1.00 0.00 H new ATOM 457 N GLY A 39 -13.804 -0.862 4.678 1.00 0.00 N ATOM 458 CA GLY A 39 -14.727 -0.749 3.573 1.00 0.00 C ATOM 459 C GLY A 39 -13.932 -0.640 2.279 1.00 0.00 C ATOM 460 O GLY A 39 -12.738 -0.916 2.226 1.00 0.00 O ATOM 0 H GLY A 39 -13.573 -1.821 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.384 -1.618 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.363 0.127 3.700 1.00 0.00 H new ATOM 464 N ARG A 40 -14.637 -0.325 1.198 1.00 0.00 N ATOM 465 CA ARG A 40 -14.125 -0.141 -0.136 1.00 0.00 C ATOM 466 C ARG A 40 -14.397 1.310 -0.499 1.00 0.00 C ATOM 467 O ARG A 40 -15.517 1.663 -0.872 1.00 0.00 O ATOM 468 CB ARG A 40 -14.772 -1.213 -0.997 1.00 0.00 C ATOM 469 CG ARG A 40 -16.309 -1.248 -1.054 1.00 0.00 C ATOM 470 CD ARG A 40 -16.779 -2.663 -0.723 1.00 0.00 C ATOM 471 NE ARG A 40 -18.197 -2.853 -1.041 1.00 0.00 N ATOM 472 CZ ARG A 40 -18.855 -4.006 -0.910 1.00 0.00 C ATOM 473 NH1 ARG A 40 -18.281 -5.068 -0.364 1.00 0.00 N ATOM 474 NH2 ARG A 40 -20.116 -4.088 -1.306 1.00 0.00 N ATOM 0 H ARG A 40 -15.646 -0.184 1.244 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.052 -0.277 -0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.400 -1.096 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.427 -2.184 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.730 -0.535 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.657 -0.956 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.182 -3.384 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.614 -2.863 0.336 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.717 -2.047 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.317 -5.014 -0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.803 -5.940 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.578 -3.273 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.625 -4.967 -1.209 1.00 0.00 H new ATOM 488 N ASP A 41 -13.375 2.145 -0.393 1.00 0.00 N ATOM 489 CA ASP A 41 -13.387 3.580 -0.643 1.00 0.00 C ATOM 490 C ASP A 41 -12.451 3.922 -1.804 1.00 0.00 C ATOM 491 O ASP A 41 -11.795 3.022 -2.349 1.00 0.00 O ATOM 492 CB ASP A 41 -13.026 4.329 0.644 1.00 0.00 C ATOM 493 CG ASP A 41 -11.521 4.540 0.743 1.00 0.00 C ATOM 494 OD1 ASP A 41 -10.819 3.558 1.065 1.00 0.00 O ATOM 495 OD2 ASP A 41 -11.097 5.670 0.412 1.00 0.00 O ATOM 0 H ASP A 41 -12.452 1.816 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.387 3.899 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.535 5.293 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.376 3.765 1.509 1.00 0.00 H new ATOM 500 N ARG A 42 -12.587 5.121 -2.386 1.00 0.00 N ATOM 501 CA ARG A 42 -11.707 5.535 -3.475 1.00 0.00 C ATOM 502 C ARG A 42 -10.866 6.690 -2.947 1.00 0.00 C ATOM 503 O ARG A 42 -11.300 7.840 -3.008 1.00 0.00 O ATOM 504 CB ARG A 42 -12.518 5.943 -4.722 1.00 0.00 C ATOM 505 CG ARG A 42 -11.723 5.727 -6.020 1.00 0.00 C ATOM 506 CD ARG A 42 -10.401 6.504 -6.136 1.00 0.00 C ATOM 507 NE ARG A 42 -10.573 7.948 -6.358 1.00 0.00 N ATOM 508 CZ ARG A 42 -10.833 8.525 -7.535 1.00 0.00 C ATOM 509 NH1 ARG A 42 -11.194 7.788 -8.583 1.00 0.00 N ATOM 510 NH2 ARG A 42 -10.729 9.833 -7.679 1.00 0.00 N ATOM 0 H ARG A 42 -13.291 5.811 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.066 4.712 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.440 5.363 -4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.804 6.992 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.506 4.663 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.358 6.001 -6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.822 6.353 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.818 6.088 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.487 8.560 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.274 6.775 -8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.391 8.236 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.448 10.412 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.930 10.264 -8.581 1.00 0.00 H new ATOM 524 N LEU A 43 -9.632 6.410 -2.548 1.00 0.00 N ATOM 525 CA LEU A 43 -8.735 7.422 -2.046 1.00 0.00 C ATOM 526 C LEU A 43 -7.879 7.931 -3.198 1.00 0.00 C ATOM 527 O LEU A 43 -7.624 7.206 -4.158 1.00 0.00 O ATOM 528 CB LEU A 43 -7.974 6.846 -0.849 1.00 0.00 C ATOM 529 CG LEU A 43 -6.876 5.799 -1.101 1.00 0.00 C ATOM 530 CD1 LEU A 43 -5.506 6.492 -1.091 1.00 0.00 C ATOM 531 CD2 LEU A 43 -6.902 4.743 0.010 1.00 0.00 C ATOM 0 H LEU A 43 -9.232 5.472 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.253 8.302 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.518 7.680 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.707 6.400 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.050 5.321 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.724 5.754 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.476 7.249 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.345 6.965 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.122 4.003 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.728 5.223 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.874 4.250 0.021 1.00 0.00 H new ATOM 543 N SER A 44 -7.399 9.160 -3.101 1.00 0.00 N ATOM 544 CA SER A 44 -6.579 9.797 -4.113 1.00 0.00 C ATOM 545 C SER A 44 -5.523 10.611 -3.403 1.00 0.00 C ATOM 546 O SER A 44 -5.868 11.609 -2.781 1.00 0.00 O ATOM 547 CB SER A 44 -7.468 10.721 -4.953 1.00 0.00 C ATOM 548 OG SER A 44 -8.413 10.016 -5.740 1.00 0.00 O ATOM 0 H SER A 44 -7.575 9.757 -2.293 1.00 0.00 H new ATOM 0 HA SER A 44 -6.110 9.059 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.995 11.409 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.839 11.326 -5.606 1.00 0.00 H new ATOM 0 HG SER A 44 -8.371 10.336 -6.666 1.00 0.00 H new ATOM 554 N GLY A 45 -4.266 10.171 -3.393 1.00 0.00 N ATOM 555 CA GLY A 45 -3.260 10.986 -2.726 1.00 0.00 C ATOM 556 C GLY A 45 -3.038 12.205 -3.586 1.00 0.00 C ATOM 557 O GLY A 45 -3.360 13.287 -3.119 1.00 0.00 O ATOM 0 H GLY A 45 -3.934 9.304 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.595 11.273 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.332 10.428 -2.602 1.00 0.00 H new ATOM 561 N GLY A 46 -2.669 12.057 -4.860 1.00 0.00 N ATOM 562 CA GLY A 46 -2.470 13.229 -5.700 1.00 0.00 C ATOM 563 C GLY A 46 -1.045 13.758 -5.607 1.00 0.00 C ATOM 564 O GLY A 46 -0.127 13.013 -5.270 1.00 0.00 O ATOM 0 H GLY A 46 -2.507 11.161 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.697 12.976 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.168 14.012 -5.403 1.00 0.00 H new ATOM 568 N ALA A 47 -0.852 15.019 -6.005 1.00 0.00 N ATOM 569 CA ALA A 47 0.448 15.678 -5.972 1.00 0.00 C ATOM 570 C ALA A 47 0.854 15.930 -4.514 1.00 0.00 C ATOM 571 O ALA A 47 0.419 16.908 -3.898 1.00 0.00 O ATOM 572 CB ALA A 47 0.373 16.992 -6.761 1.00 0.00 C ATOM 0 H ALA A 47 -1.602 15.612 -6.361 1.00 0.00 H new ATOM 0 HA ALA A 47 1.204 15.043 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.344 17.486 -6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.098 16.781 -7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.377 17.644 -6.312 1.00 0.00 H new ATOM 578 N GLY A 48 1.770 15.125 -3.992 1.00 0.00 N ATOM 579 CA GLY A 48 2.257 15.217 -2.626 1.00 0.00 C ATOM 580 C GLY A 48 3.260 14.097 -2.372 1.00 0.00 C ATOM 581 O GLY A 48 3.776 13.489 -3.316 1.00 0.00 O ATOM 0 H GLY A 48 2.205 14.371 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.727 16.186 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.425 15.142 -1.925 1.00 0.00 H new ATOM 585 N ALA A 49 3.633 13.919 -1.103 1.00 0.00 N ATOM 586 CA ALA A 49 4.551 12.916 -0.557 1.00 0.00 C ATOM 587 C ALA A 49 3.791 12.483 0.703 1.00 0.00 C ATOM 588 O ALA A 49 4.238 12.707 1.831 1.00 0.00 O ATOM 589 CB ALA A 49 5.918 13.542 -0.232 1.00 0.00 C ATOM 0 H ALA A 49 3.269 14.525 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 49 4.789 12.092 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.582 12.777 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.353 13.957 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.789 14.336 0.504 1.00 0.00 H new ATOM 595 N ASP A 50 2.645 11.853 0.470 1.00 0.00 N ATOM 596 CA ASP A 50 1.649 11.432 1.443 1.00 0.00 C ATOM 597 C ASP A 50 1.999 10.220 2.264 1.00 0.00 C ATOM 598 O ASP A 50 2.991 9.534 2.012 1.00 0.00 O ATOM 599 CB ASP A 50 0.259 11.201 0.798 1.00 0.00 C ATOM 600 CG ASP A 50 0.021 11.812 -0.586 1.00 0.00 C ATOM 601 OD1 ASP A 50 0.202 13.042 -0.736 1.00 0.00 O ATOM 602 OD2 ASP A 50 -0.287 11.023 -1.500 1.00 0.00 O ATOM 0 H ASP A 50 2.369 11.605 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 50 1.623 12.278 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.094 10.126 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.498 11.595 1.476 1.00 0.00 H new ATOM 607 N THR A 51 1.230 10.017 3.331 1.00 0.00 N ATOM 608 CA THR A 51 1.368 8.889 4.223 1.00 0.00 C ATOM 609 C THR A 51 0.026 8.161 4.172 1.00 0.00 C ATOM 610 O THR A 51 -0.980 8.653 4.692 1.00 0.00 O ATOM 611 CB THR A 51 1.734 9.332 5.646 1.00 0.00 C ATOM 612 OG1 THR A 51 2.812 10.244 5.637 1.00 0.00 O ATOM 613 CG2 THR A 51 2.160 8.115 6.475 1.00 0.00 C ATOM 0 H THR A 51 0.478 10.653 3.598 1.00 0.00 H new ATOM 0 HA THR A 51 2.182 8.232 3.917 1.00 0.00 H new ATOM 0 HB THR A 51 0.854 9.811 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.023 10.511 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.419 8.435 7.484 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.338 7.400 6.520 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.026 7.643 6.011 1.00 0.00 H new ATOM 621 N PHE A 52 -0.006 7.019 3.493 1.00 0.00 N ATOM 622 CA PHE A 52 -1.182 6.187 3.336 1.00 0.00 C ATOM 623 C PHE A 52 -1.235 5.254 4.536 1.00 0.00 C ATOM 624 O PHE A 52 -0.509 4.255 4.589 1.00 0.00 O ATOM 625 CB PHE A 52 -1.110 5.426 2.016 1.00 0.00 C ATOM 626 CG PHE A 52 -1.226 6.301 0.782 1.00 0.00 C ATOM 627 CD1 PHE A 52 -2.337 7.152 0.609 1.00 0.00 C ATOM 628 CD2 PHE A 52 -0.217 6.276 -0.198 1.00 0.00 C ATOM 629 CE1 PHE A 52 -2.411 8.006 -0.508 1.00 0.00 C ATOM 630 CE2 PHE A 52 -0.328 7.081 -1.338 1.00 0.00 C ATOM 631 CZ PHE A 52 -1.397 7.970 -1.480 1.00 0.00 C ATOM 0 H PHE A 52 0.816 6.639 3.023 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.094 6.783 3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.166 4.883 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.906 4.682 1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.135 7.149 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.643 5.636 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.243 8.686 -0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.419 7.014 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.444 8.628 -2.335 1.00 0.00 H new ATOM 641 N VAL A 53 -2.025 5.617 5.542 1.00 0.00 N ATOM 642 CA VAL A 53 -2.164 4.834 6.761 1.00 0.00 C ATOM 643 C VAL A 53 -3.274 3.800 6.585 1.00 0.00 C ATOM 644 O VAL A 53 -4.382 4.142 6.176 1.00 0.00 O ATOM 645 CB VAL A 53 -2.381 5.763 7.972 1.00 0.00 C ATOM 646 CG1 VAL A 53 -2.466 4.943 9.266 1.00 0.00 C ATOM 647 CG2 VAL A 53 -1.236 6.783 8.119 1.00 0.00 C ATOM 0 H VAL A 53 -2.589 6.467 5.532 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.245 4.282 6.960 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.315 6.298 7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.619 5.613 10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.301 4.245 9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.539 4.388 9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.425 7.420 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.293 6.254 8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.179 7.398 7.221 1.00 0.00 H new ATOM 657 N PHE A 54 -2.967 2.541 6.917 1.00 0.00 N ATOM 658 CA PHE A 54 -3.899 1.423 6.821 1.00 0.00 C ATOM 659 C PHE A 54 -4.647 1.275 8.151 1.00 0.00 C ATOM 660 O PHE A 54 -4.116 1.567 9.232 1.00 0.00 O ATOM 661 CB PHE A 54 -3.153 0.141 6.421 1.00 0.00 C ATOM 662 CG PHE A 54 -2.809 0.051 4.937 1.00 0.00 C ATOM 663 CD1 PHE A 54 -2.177 1.115 4.258 1.00 0.00 C ATOM 664 CD2 PHE A 54 -3.212 -1.079 4.201 1.00 0.00 C ATOM 665 CE1 PHE A 54 -2.036 1.085 2.863 1.00 0.00 C ATOM 666 CE2 PHE A 54 -3.026 -1.130 2.810 1.00 0.00 C ATOM 667 CZ PHE A 54 -2.468 -0.031 2.134 1.00 0.00 C ATOM 0 H PHE A 54 -2.047 2.271 7.265 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.637 1.614 6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.232 0.075 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.763 -0.720 6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.799 1.958 4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.668 -1.915 4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.593 1.925 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.312 -2.014 2.259 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.373 -0.047 1.058 1.00 0.00 H new ATOM 677 N SER A 55 -5.875 0.773 8.085 1.00 0.00 N ATOM 678 CA SER A 55 -6.769 0.574 9.206 1.00 0.00 C ATOM 679 C SER A 55 -6.394 -0.619 10.082 1.00 0.00 C ATOM 680 O SER A 55 -6.145 -0.436 11.283 1.00 0.00 O ATOM 681 CB SER A 55 -8.191 0.440 8.639 1.00 0.00 C ATOM 682 OG SER A 55 -9.156 0.419 9.675 1.00 0.00 O ATOM 0 H SER A 55 -6.289 0.481 7.200 1.00 0.00 H new ATOM 0 HA SER A 55 -6.696 1.432 9.874 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.396 1.271 7.964 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.266 -0.474 8.050 1.00 0.00 H new ATOM 0 HG SER A 55 -10.052 0.335 9.286 1.00 0.00 H new ATOM 688 N ALA A 56 -6.475 -1.830 9.525 1.00 0.00 N ATOM 689 CA ALA A 56 -6.204 -3.143 10.104 1.00 0.00 C ATOM 690 C ALA A 56 -6.704 -4.211 9.129 1.00 0.00 C ATOM 691 O ALA A 56 -7.490 -3.904 8.238 1.00 0.00 O ATOM 692 CB ALA A 56 -6.948 -3.346 11.432 1.00 0.00 C ATOM 0 H ALA A 56 -6.764 -1.921 8.551 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.132 -3.217 10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.720 -4.335 11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.632 -2.586 12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.022 -3.262 11.264 1.00 0.00 H new ATOM 698 N ARG A 57 -6.382 -5.481 9.418 1.00 0.00 N ATOM 699 CA ARG A 57 -6.693 -6.724 8.689 1.00 0.00 C ATOM 700 C ARG A 57 -7.969 -6.765 7.842 1.00 0.00 C ATOM 701 O ARG A 57 -8.035 -7.557 6.910 1.00 0.00 O ATOM 702 CB ARG A 57 -6.683 -7.916 9.679 1.00 0.00 C ATOM 703 CG ARG A 57 -7.960 -8.076 10.536 1.00 0.00 C ATOM 704 CD ARG A 57 -9.042 -8.960 9.872 1.00 0.00 C ATOM 705 NE ARG A 57 -10.392 -8.686 10.398 1.00 0.00 N ATOM 706 CZ ARG A 57 -10.956 -9.239 11.475 1.00 0.00 C ATOM 707 NH1 ARG A 57 -10.281 -10.120 12.210 1.00 0.00 N ATOM 708 NH2 ARG A 57 -12.186 -8.889 11.815 1.00 0.00 N ATOM 0 H ARG A 57 -5.840 -5.686 10.257 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.901 -6.785 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.528 -8.835 9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.829 -7.805 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.690 -8.508 11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.380 -7.090 10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.034 -8.792 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.798 -10.010 10.033 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.953 -8.004 9.887 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.328 -10.376 11.952 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.717 -10.539 13.031 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.694 -8.203 11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.626 -9.305 12.636 1.00 0.00 H new ATOM 722 N GLU A 58 -9.037 -6.082 8.240 1.00 0.00 N ATOM 723 CA GLU A 58 -10.286 -6.077 7.503 1.00 0.00 C ATOM 724 C GLU A 58 -10.176 -5.301 6.192 1.00 0.00 C ATOM 725 O GLU A 58 -10.927 -5.602 5.276 1.00 0.00 O ATOM 726 CB GLU A 58 -11.381 -5.521 8.419 1.00 0.00 C ATOM 727 CG GLU A 58 -12.802 -5.942 8.013 1.00 0.00 C ATOM 728 CD GLU A 58 -13.566 -6.414 9.248 1.00 0.00 C ATOM 729 OE1 GLU A 58 -13.302 -7.557 9.692 1.00 0.00 O ATOM 730 OE2 GLU A 58 -14.343 -5.626 9.838 1.00 0.00 O ATOM 0 H GLU A 58 -9.056 -5.515 9.088 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.543 -7.096 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.191 -5.853 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.321 -4.433 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.322 -5.104 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.758 -6.740 7.272 1.00 0.00 H new ATOM 737 N ASP A 59 -9.277 -4.321 6.063 1.00 0.00 N ATOM 738 CA ASP A 59 -9.092 -3.531 4.862 1.00 0.00 C ATOM 739 C ASP A 59 -8.438 -4.309 3.731 1.00 0.00 C ATOM 740 O ASP A 59 -8.912 -4.465 2.613 1.00 0.00 O ATOM 741 CB ASP A 59 -8.394 -2.203 5.255 1.00 0.00 C ATOM 742 CG ASP A 59 -6.899 -2.187 5.646 1.00 0.00 C ATOM 743 OD1 ASP A 59 -6.034 -2.711 4.909 1.00 0.00 O ATOM 744 OD2 ASP A 59 -6.601 -1.676 6.742 1.00 0.00 O ATOM 0 H ASP A 59 -8.644 -4.055 6.818 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.058 -3.274 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.514 -1.516 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.950 -1.783 6.093 1.00 0.00 H new ATOM 749 N SER A 60 -7.366 -4.876 4.183 1.00 0.00 N ATOM 750 CA SER A 60 -6.274 -5.679 3.683 1.00 0.00 C ATOM 751 C SER A 60 -6.598 -6.826 2.745 1.00 0.00 C ATOM 752 O SER A 60 -5.728 -7.229 1.959 1.00 0.00 O ATOM 753 CB SER A 60 -5.565 -6.222 4.927 1.00 0.00 C ATOM 754 OG SER A 60 -5.575 -5.270 5.987 1.00 0.00 O ATOM 0 H SER A 60 -7.195 -4.749 5.181 1.00 0.00 H new ATOM 0 HA SER A 60 -5.677 -5.025 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.054 -7.139 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.536 -6.481 4.678 1.00 0.00 H new ATOM 0 HG SER A 60 -5.588 -4.364 5.613 1.00 0.00 H new ATOM 760 N TYR A 61 -7.800 -7.386 2.851 1.00 0.00 N ATOM 761 CA TYR A 61 -8.244 -8.522 2.063 1.00 0.00 C ATOM 762 C TYR A 61 -9.754 -8.465 1.871 1.00 0.00 C ATOM 763 O TYR A 61 -10.434 -7.558 2.341 1.00 0.00 O ATOM 764 CB TYR A 61 -7.885 -9.831 2.795 1.00 0.00 C ATOM 765 CG TYR A 61 -6.694 -9.811 3.731 1.00 0.00 C ATOM 766 CD1 TYR A 61 -5.380 -9.860 3.235 1.00 0.00 C ATOM 767 CD2 TYR A 61 -6.913 -9.696 5.111 1.00 0.00 C ATOM 768 CE1 TYR A 61 -4.291 -9.794 4.118 1.00 0.00 C ATOM 769 CE2 TYR A 61 -5.829 -9.614 5.997 1.00 0.00 C ATOM 770 CZ TYR A 61 -4.511 -9.654 5.504 1.00 0.00 C ATOM 771 OH TYR A 61 -3.469 -9.523 6.362 1.00 0.00 O ATOM 0 H TYR A 61 -8.507 -7.050 3.505 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.751 -8.490 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.757 -10.144 3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.707 -10.598 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.208 -9.949 2.172 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.922 -9.670 5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.283 -9.851 3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.005 -9.520 7.058 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.808 -9.437 7.277 1.00 0.00 H new ATOM 781 N ARG A 62 -10.295 -9.463 1.180 1.00 0.00 N ATOM 782 CA ARG A 62 -11.722 -9.615 0.961 1.00 0.00 C ATOM 783 C ARG A 62 -12.053 -10.887 1.721 1.00 0.00 C ATOM 784 O ARG A 62 -11.200 -11.767 1.895 1.00 0.00 O ATOM 785 CB ARG A 62 -12.143 -9.650 -0.509 1.00 0.00 C ATOM 786 CG ARG A 62 -11.388 -10.619 -1.423 1.00 0.00 C ATOM 787 CD ARG A 62 -12.113 -10.732 -2.774 1.00 0.00 C ATOM 788 NE ARG A 62 -11.580 -11.837 -3.589 1.00 0.00 N ATOM 789 CZ ARG A 62 -11.821 -13.138 -3.384 1.00 0.00 C ATOM 790 NH1 ARG A 62 -12.699 -13.510 -2.458 1.00 0.00 N ATOM 791 NH2 ARG A 62 -11.164 -14.049 -4.084 1.00 0.00 N ATOM 0 H ARG A 62 -9.739 -10.202 0.749 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.282 -8.750 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.203 -9.899 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.035 -8.645 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.367 -10.269 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.321 -11.600 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.178 -10.887 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.011 -9.795 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.978 -11.591 -4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.187 -12.805 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.885 -14.500 -2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.475 -13.760 -4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.346 -15.041 -3.929 1.00 0.00 H new ATOM 805 N THR A 63 -13.286 -10.946 2.186 1.00 0.00 N ATOM 806 CA THR A 63 -13.773 -12.056 2.977 1.00 0.00 C ATOM 807 C THR A 63 -15.115 -12.528 2.434 1.00 0.00 C ATOM 808 O THR A 63 -15.625 -11.961 1.465 1.00 0.00 O ATOM 809 CB THR A 63 -13.829 -11.600 4.456 1.00 0.00 C ATOM 810 OG1 THR A 63 -14.718 -10.509 4.637 1.00 0.00 O ATOM 811 CG2 THR A 63 -12.467 -11.166 5.019 1.00 0.00 C ATOM 0 H THR A 63 -13.982 -10.218 2.023 1.00 0.00 H new ATOM 0 HA THR A 63 -13.107 -12.917 2.918 1.00 0.00 H new ATOM 0 HB THR A 63 -14.174 -12.483 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.801 -10.012 3.797 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.584 -10.860 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.768 -12.000 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.082 -10.330 4.436 1.00 0.00 H new ATOM 819 N ASP A 64 -15.670 -13.550 3.084 1.00 0.00 N ATOM 820 CA ASP A 64 -16.922 -14.243 2.857 1.00 0.00 C ATOM 821 C ASP A 64 -18.010 -13.213 2.609 1.00 0.00 C ATOM 822 O ASP A 64 -18.583 -12.634 3.530 1.00 0.00 O ATOM 823 CB ASP A 64 -17.249 -15.157 4.050 1.00 0.00 C ATOM 824 CG ASP A 64 -16.282 -16.332 4.186 1.00 0.00 C ATOM 825 OD1 ASP A 64 -16.060 -17.061 3.194 1.00 0.00 O ATOM 826 OD2 ASP A 64 -15.728 -16.527 5.293 1.00 0.00 O ATOM 0 H ASP A 64 -15.183 -13.957 3.883 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.848 -14.885 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -17.228 -14.569 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -18.264 -15.540 3.940 1.00 0.00 H new ATOM 831 N THR A 65 -18.237 -13.005 1.324 1.00 0.00 N ATOM 832 CA THR A 65 -19.182 -12.096 0.678 1.00 0.00 C ATOM 833 C THR A 65 -19.041 -10.626 1.114 1.00 0.00 C ATOM 834 O THR A 65 -19.935 -9.815 0.855 1.00 0.00 O ATOM 835 CB THR A 65 -20.622 -12.654 0.715 1.00 0.00 C ATOM 836 OG1 THR A 65 -21.110 -12.864 2.021 1.00 0.00 O ATOM 837 CG2 THR A 65 -20.723 -13.994 -0.022 1.00 0.00 C ATOM 0 H THR A 65 -17.706 -13.525 0.625 1.00 0.00 H new ATOM 0 HA THR A 65 -18.909 -12.056 -0.376 1.00 0.00 H new ATOM 0 HB THR A 65 -21.224 -11.888 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 65 -22.024 -13.215 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 -21.749 -14.358 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 65 -20.432 -13.859 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 65 -20.060 -14.719 0.449 1.00 0.00 H new ATOM 845 N ALA A 66 -17.917 -10.242 1.728 1.00 0.00 N ATOM 846 CA ALA A 66 -17.617 -8.911 2.208 1.00 0.00 C ATOM 847 C ALA A 66 -16.241 -8.530 1.678 1.00 0.00 C ATOM 848 O ALA A 66 -15.205 -8.856 2.264 1.00 0.00 O ATOM 849 CB ALA A 66 -17.746 -8.860 3.731 1.00 0.00 C ATOM 0 H ALA A 66 -17.156 -10.897 1.908 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.328 -8.171 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.518 -7.854 4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.764 -9.123 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -17.048 -9.567 4.179 1.00 0.00 H new ATOM 855 N VAL A 67 -16.248 -7.922 0.494 1.00 0.00 N ATOM 856 CA VAL A 67 -15.069 -7.454 -0.218 1.00 0.00 C ATOM 857 C VAL A 67 -14.739 -6.055 0.289 1.00 0.00 C ATOM 858 O VAL A 67 -15.642 -5.240 0.469 1.00 0.00 O ATOM 859 CB VAL A 67 -15.353 -7.466 -1.737 1.00 0.00 C ATOM 860 CG1 VAL A 67 -14.165 -7.009 -2.593 1.00 0.00 C ATOM 861 CG2 VAL A 67 -15.762 -8.871 -2.208 1.00 0.00 C ATOM 0 H VAL A 67 -17.113 -7.736 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.211 -8.103 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.165 -6.752 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -14.441 -7.044 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.893 -5.988 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.315 -7.669 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.956 -8.853 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.956 -9.574 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -16.664 -9.183 -1.681 1.00 0.00 H new ATOM 871 N PHE A 68 -13.452 -5.758 0.443 1.00 0.00 N ATOM 872 CA PHE A 68 -12.953 -4.469 0.911 1.00 0.00 C ATOM 873 C PHE A 68 -11.852 -3.990 -0.045 1.00 0.00 C ATOM 874 O PHE A 68 -10.776 -3.554 0.343 1.00 0.00 O ATOM 875 CB PHE A 68 -12.503 -4.625 2.367 1.00 0.00 C ATOM 876 CG PHE A 68 -13.572 -5.212 3.281 1.00 0.00 C ATOM 877 CD1 PHE A 68 -14.762 -4.501 3.511 1.00 0.00 C ATOM 878 CD2 PHE A 68 -13.386 -6.459 3.907 1.00 0.00 C ATOM 879 CE1 PHE A 68 -15.729 -4.995 4.400 1.00 0.00 C ATOM 880 CE2 PHE A 68 -14.355 -6.962 4.793 1.00 0.00 C ATOM 881 CZ PHE A 68 -15.522 -6.223 5.049 1.00 0.00 C ATOM 0 H PHE A 68 -12.708 -6.425 0.240 1.00 0.00 H new ATOM 0 HA PHE A 68 -13.721 -3.696 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -11.620 -5.264 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.204 -3.650 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.934 -3.566 2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -12.494 -7.033 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.631 -4.431 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -14.202 -7.916 5.276 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.259 -6.599 5.744 1.00 0.00 H new ATOM 891 N ASN A 69 -12.112 -4.163 -1.342 1.00 0.00 N ATOM 892 CA ASN A 69 -11.232 -3.805 -2.428 1.00 0.00 C ATOM 893 C ASN A 69 -11.055 -2.287 -2.536 1.00 0.00 C ATOM 894 O ASN A 69 -11.936 -1.596 -3.042 1.00 0.00 O ATOM 895 CB ASN A 69 -11.751 -4.459 -3.723 1.00 0.00 C ATOM 896 CG ASN A 69 -11.137 -3.915 -5.003 1.00 0.00 C ATOM 897 OD1 ASN A 69 -10.210 -4.501 -5.565 1.00 0.00 O ATOM 898 ND2 ASN A 69 -11.701 -2.850 -5.535 1.00 0.00 N ATOM 0 H ASN A 69 -12.986 -4.577 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.230 -4.189 -2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.561 -5.531 -3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.832 -4.328 -3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.372 -2.493 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.467 -2.383 -5.050 1.00 0.00 H new ATOM 905 N ASP A 70 -9.943 -1.766 -2.036 1.00 0.00 N ATOM 906 CA ASP A 70 -9.557 -0.359 -2.077 1.00 0.00 C ATOM 907 C ASP A 70 -9.121 -0.028 -3.514 1.00 0.00 C ATOM 908 O ASP A 70 -8.831 -0.943 -4.303 1.00 0.00 O ATOM 909 CB ASP A 70 -8.399 -0.150 -1.077 1.00 0.00 C ATOM 910 CG ASP A 70 -7.235 0.697 -1.611 1.00 0.00 C ATOM 911 OD1 ASP A 70 -7.449 1.889 -1.897 1.00 0.00 O ATOM 912 OD2 ASP A 70 -6.132 0.113 -1.775 1.00 0.00 O ATOM 0 H ASP A 70 -9.247 -2.344 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.381 0.298 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.794 0.325 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.014 -1.125 -0.779 1.00 0.00 H new ATOM 917 N LEU A 71 -9.214 1.242 -3.914 1.00 0.00 N ATOM 918 CA LEU A 71 -8.783 1.702 -5.230 1.00 0.00 C ATOM 919 C LEU A 71 -8.167 3.078 -5.046 1.00 0.00 C ATOM 920 O LEU A 71 -8.905 4.049 -4.869 1.00 0.00 O ATOM 921 CB LEU A 71 -9.897 1.665 -6.290 1.00 0.00 C ATOM 922 CG LEU A 71 -9.372 1.906 -7.724 1.00 0.00 C ATOM 923 CD1 LEU A 71 -10.351 1.292 -8.734 1.00 0.00 C ATOM 924 CD2 LEU A 71 -9.207 3.382 -8.111 1.00 0.00 C ATOM 0 H LEU A 71 -9.594 1.984 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.039 1.016 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.398 0.698 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.645 2.421 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.384 1.445 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.983 1.461 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.436 0.221 -8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.330 1.758 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.834 3.451 -9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.171 3.886 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.498 3.859 -7.434 1.00 0.00 H new ATOM 936 N ILE A 72 -6.837 3.154 -5.121 1.00 0.00 N ATOM 937 CA ILE A 72 -6.100 4.406 -4.959 1.00 0.00 C ATOM 938 C ILE A 72 -5.915 5.045 -6.338 1.00 0.00 C ATOM 939 O ILE A 72 -5.714 4.316 -7.315 1.00 0.00 O ATOM 940 CB ILE A 72 -4.698 4.136 -4.365 1.00 0.00 C ATOM 941 CG1 ILE A 72 -4.755 3.272 -3.085 1.00 0.00 C ATOM 942 CG2 ILE A 72 -3.940 5.465 -4.160 1.00 0.00 C ATOM 943 CD1 ILE A 72 -3.392 2.836 -2.547 1.00 0.00 C ATOM 0 H ILE A 72 -6.240 2.346 -5.296 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.658 5.061 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.134 3.542 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.275 3.832 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.351 2.383 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.955 5.261 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.829 5.972 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.500 6.102 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.531 2.235 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.875 2.245 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.797 3.717 -2.306 1.00 0.00 H new ATOM 955 N LEU A 73 -6.063 6.369 -6.436 1.00 0.00 N ATOM 956 CA LEU A 73 -5.863 7.160 -7.648 1.00 0.00 C ATOM 957 C LEU A 73 -4.587 8.007 -7.490 1.00 0.00 C ATOM 958 O LEU A 73 -4.376 8.581 -6.423 1.00 0.00 O ATOM 959 CB LEU A 73 -7.107 8.012 -7.957 1.00 0.00 C ATOM 960 CG LEU A 73 -7.657 7.885 -9.391 1.00 0.00 C ATOM 961 CD1 LEU A 73 -6.633 8.229 -10.474 1.00 0.00 C ATOM 962 CD2 LEU A 73 -8.229 6.492 -9.679 1.00 0.00 C ATOM 0 H LEU A 73 -6.337 6.941 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.727 6.501 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.897 7.738 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.865 9.058 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.458 8.623 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.091 8.117 -11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.298 9.258 -10.345 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.779 7.557 -10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.603 6.457 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.446 5.744 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.045 6.284 -8.987 1.00 0.00 H new ATOM 974 N ASP A 74 -3.825 8.192 -8.575 1.00 0.00 N ATOM 975 CA ASP A 74 -2.566 8.944 -8.711 1.00 0.00 C ATOM 976 C ASP A 74 -1.592 8.735 -7.548 1.00 0.00 C ATOM 977 O ASP A 74 -1.506 9.552 -6.630 1.00 0.00 O ATOM 978 CB ASP A 74 -2.760 10.441 -8.982 1.00 0.00 C ATOM 979 CG ASP A 74 -3.520 10.764 -10.260 1.00 0.00 C ATOM 980 OD1 ASP A 74 -2.925 10.670 -11.361 1.00 0.00 O ATOM 981 OD2 ASP A 74 -4.711 11.132 -10.150 1.00 0.00 O ATOM 0 H ASP A 74 -4.099 7.780 -9.467 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.111 8.510 -9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.291 10.883 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.781 10.918 -9.028 1.00 0.00 H new ATOM 986 N PHE A 75 -0.927 7.582 -7.570 1.00 0.00 N ATOM 987 CA PHE A 75 0.083 7.153 -6.608 1.00 0.00 C ATOM 988 C PHE A 75 1.454 7.470 -7.215 1.00 0.00 C ATOM 989 O PHE A 75 1.624 7.346 -8.439 1.00 0.00 O ATOM 990 CB PHE A 75 -0.132 5.656 -6.360 1.00 0.00 C ATOM 991 CG PHE A 75 0.694 4.978 -5.289 1.00 0.00 C ATOM 992 CD1 PHE A 75 0.177 4.874 -3.984 1.00 0.00 C ATOM 993 CD2 PHE A 75 1.897 4.327 -5.616 1.00 0.00 C ATOM 994 CE1 PHE A 75 0.863 4.134 -3.010 1.00 0.00 C ATOM 995 CE2 PHE A 75 2.587 3.590 -4.635 1.00 0.00 C ATOM 996 CZ PHE A 75 2.078 3.508 -3.329 1.00 0.00 C ATOM 0 H PHE A 75 -1.087 6.886 -8.298 1.00 0.00 H new ATOM 0 HA PHE A 75 0.016 7.665 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.183 5.508 -6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.050 5.134 -7.300 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.751 5.366 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.291 4.392 -6.619 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.456 4.046 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.509 3.087 -4.887 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.621 2.964 -2.571 1.00 0.00 H new ATOM 1006 N GLU A 76 2.431 7.864 -6.408 1.00 0.00 N ATOM 1007 CA GLU A 76 3.782 8.193 -6.809 1.00 0.00 C ATOM 1008 C GLU A 76 4.706 7.655 -5.728 1.00 0.00 C ATOM 1009 O GLU A 76 5.090 8.403 -4.828 1.00 0.00 O ATOM 1010 CB GLU A 76 3.912 9.710 -6.994 1.00 0.00 C ATOM 1011 CG GLU A 76 5.310 10.077 -7.540 1.00 0.00 C ATOM 1012 CD GLU A 76 5.431 11.485 -8.119 1.00 0.00 C ATOM 1013 OE1 GLU A 76 4.402 12.147 -8.383 1.00 0.00 O ATOM 1014 OE2 GLU A 76 6.576 11.934 -8.362 1.00 0.00 O ATOM 0 H GLU A 76 2.289 7.966 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 76 4.048 7.743 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.144 10.065 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.745 10.213 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.037 9.968 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.581 9.358 -8.314 1.00 0.00 H new ATOM 1021 N ALA A 77 5.110 6.384 -5.844 1.00 0.00 N ATOM 1022 CA ALA A 77 5.987 5.729 -4.876 1.00 0.00 C ATOM 1023 C ALA A 77 7.257 6.537 -4.592 1.00 0.00 C ATOM 1024 O ALA A 77 7.869 6.361 -3.538 1.00 0.00 O ATOM 1025 CB ALA A 77 6.366 4.331 -5.379 1.00 0.00 C ATOM 0 H ALA A 77 4.834 5.781 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 77 5.433 5.655 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.020 3.848 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.463 3.734 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.885 4.416 -6.334 1.00 0.00 H new ATOM 1031 N SER A 78 7.686 7.379 -5.535 1.00 0.00 N ATOM 1032 CA SER A 78 8.866 8.226 -5.394 1.00 0.00 C ATOM 1033 C SER A 78 8.676 9.332 -4.329 1.00 0.00 C ATOM 1034 O SER A 78 9.667 9.854 -3.805 1.00 0.00 O ATOM 1035 CB SER A 78 9.226 8.807 -6.766 1.00 0.00 C ATOM 1036 OG SER A 78 9.250 7.782 -7.753 1.00 0.00 O ATOM 0 H SER A 78 7.213 7.491 -6.432 1.00 0.00 H new ATOM 0 HA SER A 78 9.694 7.616 -5.033 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.501 9.571 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.200 9.295 -6.716 1.00 0.00 H new ATOM 0 HG SER A 78 9.480 8.171 -8.623 1.00 0.00 H new ATOM 1042 N GLU A 79 7.440 9.655 -3.943 1.00 0.00 N ATOM 1043 CA GLU A 79 7.081 10.663 -2.951 1.00 0.00 C ATOM 1044 C GLU A 79 6.221 10.086 -1.832 1.00 0.00 C ATOM 1045 O GLU A 79 6.545 10.271 -0.657 1.00 0.00 O ATOM 1046 CB GLU A 79 6.320 11.819 -3.602 1.00 0.00 C ATOM 1047 CG GLU A 79 7.092 12.496 -4.723 1.00 0.00 C ATOM 1048 CD GLU A 79 6.862 14.014 -4.844 1.00 0.00 C ATOM 1049 OE1 GLU A 79 6.862 14.726 -3.810 1.00 0.00 O ATOM 1050 OE2 GLU A 79 6.844 14.545 -5.977 1.00 0.00 O ATOM 0 H GLU A 79 6.620 9.194 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 79 8.017 11.023 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.375 11.446 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.077 12.559 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.156 12.315 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.820 12.026 -5.668 1.00 0.00 H new ATOM 1057 N ASP A 80 5.095 9.466 -2.196 1.00 0.00 N ATOM 1058 CA ASP A 80 4.146 8.875 -1.263 1.00 0.00 C ATOM 1059 C ASP A 80 4.782 7.762 -0.444 1.00 0.00 C ATOM 1060 O ASP A 80 5.825 7.197 -0.806 1.00 0.00 O ATOM 1061 CB ASP A 80 2.868 8.395 -1.965 1.00 0.00 C ATOM 1062 CG ASP A 80 2.914 6.962 -2.516 1.00 0.00 C ATOM 1063 OD1 ASP A 80 2.985 6.003 -1.713 1.00 0.00 O ATOM 1064 OD2 ASP A 80 2.755 6.838 -3.751 1.00 0.00 O ATOM 0 H ASP A 80 4.816 9.361 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 80 3.853 9.664 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.039 8.469 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.649 9.075 -2.788 1.00 0.00 H new ATOM 1069 N ARG A 81 4.145 7.455 0.684 1.00 0.00 N ATOM 1070 CA ARG A 81 4.596 6.410 1.589 1.00 0.00 C ATOM 1071 C ARG A 81 3.432 5.562 2.049 1.00 0.00 C ATOM 1072 O ARG A 81 2.325 6.064 2.239 1.00 0.00 O ATOM 1073 CB ARG A 81 5.336 6.990 2.778 1.00 0.00 C ATOM 1074 CG ARG A 81 6.475 7.910 2.320 1.00 0.00 C ATOM 1075 CD ARG A 81 7.469 8.070 3.456 1.00 0.00 C ATOM 1076 NE ARG A 81 7.751 9.472 3.771 1.00 0.00 N ATOM 1077 CZ ARG A 81 8.302 9.868 4.917 1.00 0.00 C ATOM 1078 NH1 ARG A 81 8.841 8.980 5.743 1.00 0.00 N ATOM 1079 NH2 ARG A 81 8.293 11.155 5.232 1.00 0.00 N ATOM 0 H ARG A 81 3.297 7.929 0.994 1.00 0.00 H new ATOM 0 HA ARG A 81 5.292 5.775 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.642 7.549 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.739 6.183 3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.969 7.490 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.079 8.882 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.080 7.574 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.400 7.568 3.192 1.00 0.00 H new ATOM 0 HE ARG A 81 7.513 10.181 3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.835 7.989 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.262 9.288 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.867 11.832 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.712 11.469 6.107 1.00 0.00 H new ATOM 1093 N ILE A 82 3.713 4.305 2.380 1.00 0.00 N ATOM 1094 CA ILE A 82 2.715 3.342 2.826 1.00 0.00 C ATOM 1095 C ILE A 82 2.972 2.925 4.279 1.00 0.00 C ATOM 1096 O ILE A 82 4.101 2.563 4.647 1.00 0.00 O ATOM 1097 CB ILE A 82 2.680 2.157 1.813 1.00 0.00 C ATOM 1098 CG1 ILE A 82 1.259 1.695 1.485 1.00 0.00 C ATOM 1099 CG2 ILE A 82 3.557 0.956 2.164 1.00 0.00 C ATOM 1100 CD1 ILE A 82 0.623 2.503 0.355 1.00 0.00 C ATOM 0 H ILE A 82 4.658 3.922 2.345 1.00 0.00 H new ATOM 0 HA ILE A 82 1.720 3.787 2.836 1.00 0.00 H new ATOM 0 HB ILE A 82 3.126 2.597 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.279 0.641 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.639 1.777 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.455 0.193 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.598 1.272 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.244 0.545 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.384 2.132 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.575 3.554 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.224 2.401 -0.548 1.00 0.00 H new ATOM 1112 N ASP A 83 1.931 2.915 5.116 1.00 0.00 N ATOM 1113 CA ASP A 83 2.008 2.506 6.514 1.00 0.00 C ATOM 1114 C ASP A 83 1.069 1.326 6.753 1.00 0.00 C ATOM 1115 O ASP A 83 -0.123 1.485 7.010 1.00 0.00 O ATOM 1116 CB ASP A 83 1.734 3.655 7.481 1.00 0.00 C ATOM 1117 CG ASP A 83 2.061 3.261 8.933 1.00 0.00 C ATOM 1118 OD1 ASP A 83 2.139 2.049 9.251 1.00 0.00 O ATOM 1119 OD2 ASP A 83 2.284 4.177 9.761 1.00 0.00 O ATOM 0 H ASP A 83 0.993 3.198 4.831 1.00 0.00 H new ATOM 0 HA ASP A 83 3.032 2.192 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.329 4.522 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.687 3.950 7.410 1.00 0.00 H new ATOM 1124 N LEU A 84 1.643 0.123 6.675 1.00 0.00 N ATOM 1125 CA LEU A 84 0.978 -1.164 6.877 1.00 0.00 C ATOM 1126 C LEU A 84 1.298 -1.711 8.278 1.00 0.00 C ATOM 1127 O LEU A 84 1.188 -2.916 8.510 1.00 0.00 O ATOM 1128 CB LEU A 84 1.374 -2.163 5.759 1.00 0.00 C ATOM 1129 CG LEU A 84 0.467 -2.092 4.517 1.00 0.00 C ATOM 1130 CD1 LEU A 84 0.807 -0.907 3.619 1.00 0.00 C ATOM 1131 CD2 LEU A 84 0.608 -3.376 3.691 1.00 0.00 C ATOM 0 H LEU A 84 2.634 0.016 6.458 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.101 -1.023 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.403 -1.969 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.345 -3.176 6.162 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.554 -1.972 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.140 -0.901 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.686 0.020 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.839 -0.993 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.037 -3.317 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.644 -3.492 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.317 -4.233 4.298 1.00 0.00 H new ATOM 1143 N SER A 85 1.733 -0.877 9.234 1.00 0.00 N ATOM 1144 CA SER A 85 2.051 -1.373 10.575 1.00 0.00 C ATOM 1145 C SER A 85 0.830 -2.026 11.247 1.00 0.00 C ATOM 1146 O SER A 85 1.000 -2.933 12.060 1.00 0.00 O ATOM 1147 CB SER A 85 2.716 -0.289 11.430 1.00 0.00 C ATOM 1148 OG SER A 85 1.959 0.906 11.495 1.00 0.00 O ATOM 0 H SER A 85 1.870 0.126 9.105 1.00 0.00 H new ATOM 0 HA SER A 85 2.789 -2.169 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.867 -0.672 12.439 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.702 -0.066 11.022 1.00 0.00 H new ATOM 0 HG SER A 85 2.275 1.531 10.809 1.00 0.00 H new ATOM 1154 N ALA A 86 -0.390 -1.645 10.854 1.00 0.00 N ATOM 1155 CA ALA A 86 -1.629 -2.197 11.385 1.00 0.00 C ATOM 1156 C ALA A 86 -1.987 -3.564 10.775 1.00 0.00 C ATOM 1157 O ALA A 86 -2.995 -4.147 11.190 1.00 0.00 O ATOM 1158 CB ALA A 86 -2.767 -1.204 11.101 1.00 0.00 C ATOM 0 H ALA A 86 -0.541 -0.929 10.143 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.490 -2.352 12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.703 -1.602 11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.548 -0.252 11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.858 -1.053 10.025 1.00 0.00 H new ATOM 1164 N LEU A 87 -1.211 -4.081 9.809 1.00 0.00 N ATOM 1165 CA LEU A 87 -1.474 -5.354 9.135 1.00 0.00 C ATOM 1166 C LEU A 87 -0.628 -6.494 9.698 1.00 0.00 C ATOM 1167 O LEU A 87 -1.203 -7.399 10.301 1.00 0.00 O ATOM 1168 CB LEU A 87 -1.343 -5.199 7.613 1.00 0.00 C ATOM 1169 CG LEU A 87 -2.638 -4.722 6.935 1.00 0.00 C ATOM 1170 CD1 LEU A 87 -3.160 -3.374 7.450 1.00 0.00 C ATOM 1171 CD2 LEU A 87 -2.422 -4.613 5.424 1.00 0.00 C ATOM 0 H LEU A 87 -0.369 -3.614 9.471 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.507 -5.636 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.545 -4.490 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.047 -6.155 7.182 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.391 -5.471 7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.075 -3.112 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.368 -3.448 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.408 -2.603 7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.343 -4.275 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.625 -3.898 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.145 -5.589 5.025 1.00 0.00 H new ATOM 1183 N GLY A 88 0.694 -6.520 9.484 1.00 0.00 N ATOM 1184 CA GLY A 88 1.570 -7.571 10.016 1.00 0.00 C ATOM 1185 C GLY A 88 2.354 -8.344 8.965 1.00 0.00 C ATOM 1186 O GLY A 88 1.851 -9.334 8.429 1.00 0.00 O ATOM 0 H GLY A 88 1.186 -5.813 8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.274 -7.118 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.964 -8.275 10.587 1.00 0.00 H new ATOM 1190 N PHE A 89 3.587 -7.915 8.693 1.00 0.00 N ATOM 1191 CA PHE A 89 4.527 -8.504 7.741 1.00 0.00 C ATOM 1192 C PHE A 89 5.948 -8.340 8.296 1.00 0.00 C ATOM 1193 O PHE A 89 6.141 -7.656 9.304 1.00 0.00 O ATOM 1194 CB PHE A 89 4.408 -7.815 6.369 1.00 0.00 C ATOM 1195 CG PHE A 89 4.835 -6.351 6.349 1.00 0.00 C ATOM 1196 CD1 PHE A 89 3.993 -5.348 6.873 1.00 0.00 C ATOM 1197 CD2 PHE A 89 6.088 -5.985 5.818 1.00 0.00 C ATOM 1198 CE1 PHE A 89 4.403 -4.005 6.879 1.00 0.00 C ATOM 1199 CE2 PHE A 89 6.513 -4.645 5.851 1.00 0.00 C ATOM 1200 CZ PHE A 89 5.668 -3.654 6.379 1.00 0.00 C ATOM 0 H PHE A 89 3.979 -7.097 9.160 1.00 0.00 H new ATOM 0 HA PHE A 89 4.300 -9.561 7.606 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.013 -8.365 5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.373 -7.882 6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.026 -5.615 7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.727 -6.739 5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.746 -3.242 7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.488 -4.378 5.471 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.991 -2.624 6.400 1.00 0.00 H new ATOM 1210 N SER A 90 6.940 -8.934 7.626 1.00 0.00 N ATOM 1211 CA SER A 90 8.348 -8.861 8.012 1.00 0.00 C ATOM 1212 C SER A 90 9.235 -8.433 6.832 1.00 0.00 C ATOM 1213 O SER A 90 10.381 -8.029 7.040 1.00 0.00 O ATOM 1214 CB SER A 90 8.786 -10.208 8.610 1.00 0.00 C ATOM 1215 OG SER A 90 9.508 -10.022 9.815 1.00 0.00 O ATOM 0 H SER A 90 6.782 -9.489 6.785 1.00 0.00 H new ATOM 0 HA SER A 90 8.468 -8.092 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.909 -10.827 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.405 -10.744 7.891 1.00 0.00 H new ATOM 0 HG SER A 90 9.773 -10.894 10.175 1.00 0.00 H new ATOM 1221 N GLY A 91 8.737 -8.478 5.594 1.00 0.00 N ATOM 1222 CA GLY A 91 9.486 -8.087 4.411 1.00 0.00 C ATOM 1223 C GLY A 91 8.775 -8.575 3.161 1.00 0.00 C ATOM 1224 O GLY A 91 7.596 -8.928 3.218 1.00 0.00 O ATOM 0 H GLY A 91 7.789 -8.792 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.592 -7.003 4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.492 -8.504 4.453 1.00 0.00 H new ATOM 1228 N LEU A 92 9.460 -8.527 2.020 1.00 0.00 N ATOM 1229 CA LEU A 92 8.927 -8.989 0.747 1.00 0.00 C ATOM 1230 C LEU A 92 9.192 -10.479 0.575 1.00 0.00 C ATOM 1231 O LEU A 92 9.809 -11.129 1.415 1.00 0.00 O ATOM 1232 CB LEU A 92 9.501 -8.213 -0.448 1.00 0.00 C ATOM 1233 CG LEU A 92 10.962 -8.507 -0.861 1.00 0.00 C ATOM 1234 CD1 LEU A 92 11.238 -7.760 -2.168 1.00 0.00 C ATOM 1235 CD2 LEU A 92 11.986 -8.098 0.201 1.00 0.00 C ATOM 0 H LEU A 92 10.410 -8.162 1.956 1.00 0.00 H new ATOM 0 HA LEU A 92 7.853 -8.806 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.863 -8.406 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.423 -7.149 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 92 11.071 -9.585 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.264 -7.949 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.550 -8.108 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.097 -6.690 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.990 -8.332 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.908 -7.027 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.790 -8.643 1.124 1.00 0.00 H new ATOM 1247 N GLY A 93 8.701 -11.010 -0.538 1.00 0.00 N ATOM 1248 CA GLY A 93 8.855 -12.401 -0.915 1.00 0.00 C ATOM 1249 C GLY A 93 7.812 -12.779 -1.950 1.00 0.00 C ATOM 1250 O GLY A 93 8.010 -12.490 -3.130 1.00 0.00 O ATOM 0 H GLY A 93 8.171 -10.466 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.854 -12.569 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.754 -13.038 -0.036 1.00 0.00 H new ATOM 1254 N ASP A 94 6.685 -13.341 -1.509 1.00 0.00 N ATOM 1255 CA ASP A 94 5.604 -13.780 -2.410 1.00 0.00 C ATOM 1256 C ASP A 94 4.205 -13.382 -1.955 1.00 0.00 C ATOM 1257 O ASP A 94 3.257 -13.413 -2.742 1.00 0.00 O ATOM 1258 CB ASP A 94 5.625 -15.306 -2.545 1.00 0.00 C ATOM 1259 CG ASP A 94 6.163 -15.854 -3.864 1.00 0.00 C ATOM 1260 OD1 ASP A 94 5.935 -15.264 -4.949 1.00 0.00 O ATOM 1261 OD2 ASP A 94 6.806 -16.932 -3.811 1.00 0.00 O ATOM 0 H ASP A 94 6.491 -13.507 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 94 5.801 -13.277 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.226 -15.714 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.609 -15.677 -2.408 1.00 0.00 H new ATOM 1266 N GLY A 95 4.091 -12.965 -0.702 1.00 0.00 N ATOM 1267 CA GLY A 95 2.833 -12.578 -0.083 1.00 0.00 C ATOM 1268 C GLY A 95 2.328 -13.590 0.934 1.00 0.00 C ATOM 1269 O GLY A 95 1.201 -13.438 1.376 1.00 0.00 O ATOM 0 H GLY A 95 4.890 -12.885 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.959 -11.612 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.079 -12.446 -0.859 1.00 0.00 H new ATOM 1273 N TYR A 96 3.101 -14.605 1.318 1.00 0.00 N ATOM 1274 CA TYR A 96 2.726 -15.606 2.302 1.00 0.00 C ATOM 1275 C TYR A 96 3.734 -15.592 3.431 1.00 0.00 C ATOM 1276 O TYR A 96 4.791 -14.981 3.307 1.00 0.00 O ATOM 1277 CB TYR A 96 2.663 -16.984 1.661 1.00 0.00 C ATOM 1278 CG TYR A 96 3.859 -17.423 0.826 1.00 0.00 C ATOM 1279 CD1 TYR A 96 5.130 -17.627 1.405 1.00 0.00 C ATOM 1280 CD2 TYR A 96 3.683 -17.660 -0.548 1.00 0.00 C ATOM 1281 CE1 TYR A 96 6.227 -17.989 0.604 1.00 0.00 C ATOM 1282 CE2 TYR A 96 4.766 -18.055 -1.350 1.00 0.00 C ATOM 1283 CZ TYR A 96 6.053 -18.171 -0.784 1.00 0.00 C ATOM 1284 OH TYR A 96 7.128 -18.397 -1.583 1.00 0.00 O ATOM 0 H TYR A 96 4.035 -14.753 0.937 1.00 0.00 H new ATOM 0 HA TYR A 96 1.737 -15.373 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.518 -17.718 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.777 -17.020 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.261 -17.504 2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.706 -17.537 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.201 -18.127 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.614 -18.269 -2.398 1.00 0.00 H new ATOM 0 HH TYR A 96 7.165 -17.712 -2.283 1.00 0.00 H new ATOM 1294 N GLY A 97 3.407 -16.268 4.523 1.00 0.00 N ATOM 1295 CA GLY A 97 4.244 -16.383 5.717 1.00 0.00 C ATOM 1296 C GLY A 97 5.036 -15.113 6.056 1.00 0.00 C ATOM 1297 O GLY A 97 6.260 -15.166 6.168 1.00 0.00 O ATOM 0 H GLY A 97 2.523 -16.770 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.612 -16.641 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.943 -17.207 5.578 1.00 0.00 H new ATOM 1301 N GLY A 98 4.367 -13.960 6.166 1.00 0.00 N ATOM 1302 CA GLY A 98 5.012 -12.691 6.499 1.00 0.00 C ATOM 1303 C GLY A 98 5.673 -11.950 5.331 1.00 0.00 C ATOM 1304 O GLY A 98 6.328 -10.937 5.591 1.00 0.00 O ATOM 0 H GLY A 98 3.360 -13.883 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.267 -12.033 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.769 -12.879 7.260 1.00 0.00 H new ATOM 1308 N THR A 99 5.479 -12.385 4.081 1.00 0.00 N ATOM 1309 CA THR A 99 6.071 -11.762 2.898 1.00 0.00 C ATOM 1310 C THR A 99 5.064 -10.886 2.138 1.00 0.00 C ATOM 1311 O THR A 99 3.886 -10.817 2.500 1.00 0.00 O ATOM 1312 CB THR A 99 6.805 -12.783 2.017 1.00 0.00 C ATOM 1313 OG1 THR A 99 5.949 -13.693 1.377 1.00 0.00 O ATOM 1314 CG2 THR A 99 7.876 -13.574 2.767 1.00 0.00 C ATOM 0 H THR A 99 4.896 -13.193 3.862 1.00 0.00 H new ATOM 0 HA THR A 99 6.842 -11.073 3.242 1.00 0.00 H new ATOM 0 HB THR A 99 7.285 -12.161 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.533 -14.276 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.354 -14.277 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.624 -12.888 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 99 7.415 -14.123 3.588 1.00 0.00 H new ATOM 1322 N LEU A 100 5.525 -10.211 1.077 1.00 0.00 N ATOM 1323 CA LEU A 100 4.746 -9.323 0.222 1.00 0.00 C ATOM 1324 C LEU A 100 5.229 -9.416 -1.220 1.00 0.00 C ATOM 1325 O LEU A 100 6.438 -9.490 -1.470 1.00 0.00 O ATOM 1326 CB LEU A 100 4.874 -7.878 0.741 1.00 0.00 C ATOM 1327 CG LEU A 100 4.299 -6.807 -0.217 1.00 0.00 C ATOM 1328 CD1 LEU A 100 3.710 -5.661 0.589 1.00 0.00 C ATOM 1329 CD2 LEU A 100 5.355 -6.204 -1.161 1.00 0.00 C ATOM 0 H LEU A 100 6.499 -10.276 0.782 1.00 0.00 H new ATOM 0 HA LEU A 100 3.699 -9.623 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.364 -7.802 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.927 -7.660 0.921 1.00 0.00 H new ATOM 0 HG LEU A 100 3.547 -7.317 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.306 -4.909 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.912 -6.038 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.488 -5.212 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.885 -5.461 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.141 -5.730 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.788 -6.994 -1.775 1.00 0.00 H new ATOM 1341 N LEU A 101 4.300 -9.347 -2.174 1.00 0.00 N ATOM 1342 CA LEU A 101 4.561 -9.395 -3.601 1.00 0.00 C ATOM 1343 C LEU A 101 3.601 -8.480 -4.330 1.00 0.00 C ATOM 1344 O LEU A 101 2.392 -8.531 -4.119 1.00 0.00 O ATOM 1345 CB LEU A 101 4.442 -10.808 -4.076 1.00 0.00 C ATOM 1346 CG LEU A 101 4.991 -11.101 -5.468 1.00 0.00 C ATOM 1347 CD1 LEU A 101 3.971 -10.945 -6.599 1.00 0.00 C ATOM 1348 CD2 LEU A 101 6.321 -10.437 -5.828 1.00 0.00 C ATOM 0 H LEU A 101 3.308 -9.252 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 101 5.573 -9.047 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.955 -11.453 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.389 -11.088 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 101 5.220 -12.163 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.447 -11.173 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.139 -11.630 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.599 -9.921 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.607 -10.721 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.214 -9.354 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.091 -10.763 -5.129 1.00 0.00 H new ATOM 1360 N LEU A 102 4.168 -7.647 -5.183 1.00 0.00 N ATOM 1361 CA LEU A 102 3.521 -6.669 -6.031 1.00 0.00 C ATOM 1362 C LEU A 102 3.825 -7.000 -7.483 1.00 0.00 C ATOM 1363 O LEU A 102 4.973 -7.295 -7.824 1.00 0.00 O ATOM 1364 CB LEU A 102 3.935 -5.248 -5.622 1.00 0.00 C ATOM 1365 CG LEU A 102 5.358 -4.756 -5.945 1.00 0.00 C ATOM 1366 CD1 LEU A 102 5.451 -3.272 -5.583 1.00 0.00 C ATOM 1367 CD2 LEU A 102 6.427 -5.516 -5.153 1.00 0.00 C ATOM 0 H LEU A 102 5.180 -7.639 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 102 2.438 -6.707 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.235 -4.555 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.796 -5.163 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 102 5.540 -4.926 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.453 -2.905 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.721 -2.709 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.245 -3.143 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.414 -5.134 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.256 -5.378 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.373 -6.577 -5.395 1.00 0.00 H new ATOM 1379 N LYS A 103 2.799 -6.973 -8.332 1.00 0.00 N ATOM 1380 CA LYS A 103 2.874 -7.264 -9.756 1.00 0.00 C ATOM 1381 C LYS A 103 1.918 -6.324 -10.484 1.00 0.00 C ATOM 1382 O LYS A 103 0.946 -5.843 -9.897 1.00 0.00 O ATOM 1383 CB LYS A 103 2.512 -8.747 -9.990 1.00 0.00 C ATOM 1384 CG LYS A 103 3.575 -9.516 -10.787 1.00 0.00 C ATOM 1385 CD LYS A 103 3.634 -9.060 -12.248 1.00 0.00 C ATOM 1386 CE LYS A 103 4.663 -9.883 -13.020 1.00 0.00 C ATOM 1387 NZ LYS A 103 4.663 -9.554 -14.458 1.00 0.00 N ATOM 0 H LYS A 103 1.854 -6.737 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 103 3.881 -7.105 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.368 -9.235 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.561 -8.802 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.551 -9.373 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.356 -10.583 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.652 -9.168 -12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.894 -8.003 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.655 -9.704 -12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.451 -10.944 -12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.375 -10.134 -14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.723 -9.749 -14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.891 -8.547 -14.584 1.00 0.00 H new ATOM 1401 N THR A 104 2.141 -6.085 -11.770 1.00 0.00 N ATOM 1402 CA THR A 104 1.308 -5.201 -12.564 1.00 0.00 C ATOM 1403 C THR A 104 0.374 -5.995 -13.472 1.00 0.00 C ATOM 1404 O THR A 104 0.652 -7.152 -13.827 1.00 0.00 O ATOM 1405 CB THR A 104 2.223 -4.270 -13.383 1.00 0.00 C ATOM 1406 OG1 THR A 104 3.121 -4.990 -14.201 1.00 0.00 O ATOM 1407 CG2 THR A 104 3.059 -3.372 -12.471 1.00 0.00 C ATOM 0 H THR A 104 2.911 -6.504 -12.292 1.00 0.00 H new ATOM 0 HA THR A 104 0.677 -4.604 -11.906 1.00 0.00 H new ATOM 0 HB THR A 104 1.556 -3.673 -14.005 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.681 -4.362 -14.704 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.694 -2.727 -13.078 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.398 -2.758 -11.859 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.682 -3.990 -11.824 1.00 0.00 H new ATOM 1415 N ASN A 105 -0.724 -5.354 -13.873 1.00 0.00 N ATOM 1416 CA ASN A 105 -1.720 -5.911 -14.793 1.00 0.00 C ATOM 1417 C ASN A 105 -1.016 -6.214 -16.135 1.00 0.00 C ATOM 1418 O ASN A 105 0.077 -5.695 -16.378 1.00 0.00 O ATOM 1419 CB ASN A 105 -2.901 -4.983 -14.968 1.00 0.00 C ATOM 1420 CG ASN A 105 -3.861 -5.424 -16.074 1.00 0.00 C ATOM 1421 OD1 ASN A 105 -4.203 -6.597 -16.170 1.00 0.00 O ATOM 1422 ND2 ASN A 105 -4.211 -4.552 -17.007 1.00 0.00 N ATOM 0 H ASN A 105 -0.952 -4.410 -13.560 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.129 -6.833 -14.381 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.447 -4.920 -14.027 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.536 -3.981 -15.192 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.766 -4.856 -17.807 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.926 -3.576 -16.926 1.00 0.00 H new ATOM 1429 N ALA A 106 -1.613 -6.999 -17.031 1.00 0.00 N ATOM 1430 CA ALA A 106 -1.032 -7.316 -18.332 1.00 0.00 C ATOM 1431 C ALA A 106 -0.665 -6.034 -19.100 1.00 0.00 C ATOM 1432 O ALA A 106 0.309 -6.032 -19.846 1.00 0.00 O ATOM 1433 CB ALA A 106 -2.014 -8.171 -19.135 1.00 0.00 C ATOM 0 H ALA A 106 -2.521 -7.436 -16.872 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.112 -7.880 -18.180 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.580 -8.408 -20.107 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.219 -9.095 -18.594 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.944 -7.620 -19.277 1.00 0.00 H new ATOM 1439 N GLU A 107 -1.457 -4.971 -18.944 1.00 0.00 N ATOM 1440 CA GLU A 107 -1.232 -3.674 -19.581 1.00 0.00 C ATOM 1441 C GLU A 107 -0.499 -2.687 -18.667 1.00 0.00 C ATOM 1442 O GLU A 107 -0.096 -1.626 -19.141 1.00 0.00 O ATOM 1443 CB GLU A 107 -2.577 -3.138 -20.078 1.00 0.00 C ATOM 1444 CG GLU A 107 -2.910 -3.771 -21.432 1.00 0.00 C ATOM 1445 CD GLU A 107 -4.405 -3.783 -21.716 1.00 0.00 C ATOM 1446 OE1 GLU A 107 -5.002 -2.700 -21.916 1.00 0.00 O ATOM 1447 OE2 GLU A 107 -4.996 -4.889 -21.722 1.00 0.00 O ATOM 0 H GLU A 107 -2.291 -4.990 -18.358 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.565 -3.803 -20.433 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.361 -3.366 -19.355 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.536 -2.053 -20.172 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.397 -3.222 -22.222 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.530 -4.793 -21.455 1.00 0.00 H new ATOM 1454 N GLY A 108 -0.331 -2.989 -17.373 1.00 0.00 N ATOM 1455 CA GLY A 108 0.350 -2.129 -16.409 1.00 0.00 C ATOM 1456 C GLY A 108 -0.540 -0.989 -15.913 1.00 0.00 C ATOM 1457 O GLY A 108 -0.086 -0.127 -15.164 1.00 0.00 O ATOM 0 H GLY A 108 -0.674 -3.858 -16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.676 -2.728 -15.559 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.247 -1.713 -16.868 1.00 0.00 H new ATOM 1461 N THR A 109 -1.823 -1.013 -16.270 1.00 0.00 N ATOM 1462 CA THR A 109 -2.813 -0.019 -15.899 1.00 0.00 C ATOM 1463 C THR A 109 -3.140 -0.114 -14.414 1.00 0.00 C ATOM 1464 O THR A 109 -3.490 0.888 -13.802 1.00 0.00 O ATOM 1465 CB THR A 109 -4.113 -0.296 -16.683 1.00 0.00 C ATOM 1466 OG1 THR A 109 -3.842 -0.896 -17.939 1.00 0.00 O ATOM 1467 CG2 THR A 109 -4.959 0.966 -16.848 1.00 0.00 C ATOM 0 H THR A 109 -2.211 -1.758 -16.849 1.00 0.00 H new ATOM 0 HA THR A 109 -2.413 0.970 -16.124 1.00 0.00 H new ATOM 0 HB THR A 109 -4.696 -1.003 -16.093 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.685 -1.061 -18.411 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.865 0.727 -17.405 1.00 0.00 H new ATOM 0 HG22 THR A 109 -5.229 1.354 -15.866 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.387 1.719 -17.391 1.00 0.00 H new ATOM 1475 N ARG A 110 -3.052 -1.314 -13.831 1.00 0.00 N ATOM 1476 CA ARG A 110 -3.374 -1.534 -12.432 1.00 0.00 C ATOM 1477 C ARG A 110 -2.397 -2.471 -11.770 1.00 0.00 C ATOM 1478 O ARG A 110 -2.144 -3.557 -12.289 1.00 0.00 O ATOM 1479 CB ARG A 110 -4.777 -2.138 -12.350 1.00 0.00 C ATOM 1480 CG ARG A 110 -5.879 -1.070 -12.429 1.00 0.00 C ATOM 1481 CD ARG A 110 -7.284 -1.667 -12.302 1.00 0.00 C ATOM 1482 NE ARG A 110 -7.651 -2.478 -13.468 1.00 0.00 N ATOM 1483 CZ ARG A 110 -8.175 -2.045 -14.617 1.00 0.00 C ATOM 1484 NH1 ARG A 110 -8.404 -0.755 -14.850 1.00 0.00 N ATOM 1485 NH2 ARG A 110 -8.479 -2.935 -15.549 1.00 0.00 N ATOM 0 H ARG A 110 -2.754 -2.156 -14.323 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.322 -0.577 -11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.910 -2.854 -13.161 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.877 -2.692 -11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.727 -0.336 -11.638 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.798 -0.538 -13.377 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.335 -2.282 -11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.009 -0.862 -12.179 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.488 -3.482 -13.393 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.178 -0.060 -14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.806 -0.461 -15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.312 -3.927 -15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.880 -2.629 -16.435 1.00 0.00 H new ATOM 1499 N THR A 111 -1.902 -2.079 -10.608 1.00 0.00 N ATOM 1500 CA THR A 111 -0.950 -2.869 -9.855 1.00 0.00 C ATOM 1501 C THR A 111 -1.699 -3.596 -8.737 1.00 0.00 C ATOM 1502 O THR A 111 -2.588 -3.047 -8.083 1.00 0.00 O ATOM 1503 CB THR A 111 0.187 -1.948 -9.402 1.00 0.00 C ATOM 1504 OG1 THR A 111 0.742 -1.319 -10.537 1.00 0.00 O ATOM 1505 CG2 THR A 111 1.327 -2.670 -8.678 1.00 0.00 C ATOM 0 H THR A 111 -2.153 -1.198 -10.160 1.00 0.00 H new ATOM 0 HA THR A 111 -0.477 -3.653 -10.447 1.00 0.00 H new ATOM 0 HB THR A 111 -0.257 -1.244 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.425 -0.393 -10.586 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.091 -1.947 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.938 -3.161 -7.786 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.765 -3.416 -9.341 1.00 0.00 H new ATOM 1513 N TYR A 112 -1.359 -4.870 -8.562 1.00 0.00 N ATOM 1514 CA TYR A 112 -1.912 -5.793 -7.578 1.00 0.00 C ATOM 1515 C TYR A 112 -0.773 -6.134 -6.616 1.00 0.00 C ATOM 1516 O TYR A 112 0.248 -6.674 -7.040 1.00 0.00 O ATOM 1517 CB TYR A 112 -2.464 -7.029 -8.311 1.00 0.00 C ATOM 1518 CG TYR A 112 -3.877 -6.830 -8.838 1.00 0.00 C ATOM 1519 CD1 TYR A 112 -4.144 -5.867 -9.832 1.00 0.00 C ATOM 1520 CD2 TYR A 112 -4.943 -7.564 -8.285 1.00 0.00 C ATOM 1521 CE1 TYR A 112 -5.467 -5.575 -10.204 1.00 0.00 C ATOM 1522 CE2 TYR A 112 -6.269 -7.285 -8.658 1.00 0.00 C ATOM 1523 CZ TYR A 112 -6.537 -6.258 -9.591 1.00 0.00 C ATOM 1524 OH TYR A 112 -7.818 -5.945 -9.922 1.00 0.00 O ATOM 0 H TYR A 112 -0.645 -5.312 -9.141 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.741 -5.367 -7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.804 -7.275 -9.143 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.453 -7.882 -7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.326 -5.350 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.741 -8.347 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.664 -4.828 -10.959 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -7.082 -7.855 -8.232 1.00 0.00 H new ATOM 0 HH TYR A 112 -8.435 -6.509 -9.410 1.00 0.00 H new ATOM 1534 N LEU A 113 -0.928 -5.813 -5.328 1.00 0.00 N ATOM 1535 CA LEU A 113 0.065 -6.051 -4.285 1.00 0.00 C ATOM 1536 C LEU A 113 -0.557 -6.787 -3.099 1.00 0.00 C ATOM 1537 O LEU A 113 -1.514 -6.306 -2.504 1.00 0.00 O ATOM 1538 CB LEU A 113 0.810 -4.754 -3.889 1.00 0.00 C ATOM 1539 CG LEU A 113 0.087 -3.391 -3.714 1.00 0.00 C ATOM 1540 CD1 LEU A 113 -0.146 -2.668 -5.050 1.00 0.00 C ATOM 1541 CD2 LEU A 113 -1.230 -3.438 -2.947 1.00 0.00 C ATOM 0 H LEU A 113 -1.775 -5.367 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 113 0.834 -6.710 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.315 -4.961 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.586 -4.600 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 113 0.791 -2.830 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.655 -1.721 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.813 -2.478 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.761 -3.291 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.650 -2.434 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.930 -4.092 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.052 -3.822 -1.942 1.00 0.00 H new ATOM 1553 N LYS A 114 -0.055 -7.982 -2.773 1.00 0.00 N ATOM 1554 CA LYS A 114 -0.556 -8.793 -1.666 1.00 0.00 C ATOM 1555 C LYS A 114 0.373 -8.645 -0.466 1.00 0.00 C ATOM 1556 O LYS A 114 1.568 -8.928 -0.580 1.00 0.00 O ATOM 1557 CB LYS A 114 -0.736 -10.266 -2.090 1.00 0.00 C ATOM 1558 CG LYS A 114 0.483 -10.991 -2.695 1.00 0.00 C ATOM 1559 CD LYS A 114 0.358 -11.338 -4.190 1.00 0.00 C ATOM 1560 CE LYS A 114 -0.172 -12.757 -4.447 1.00 0.00 C ATOM 1561 NZ LYS A 114 0.700 -13.829 -3.903 1.00 0.00 N ATOM 0 H LYS A 114 0.719 -8.415 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.544 -8.436 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.062 -10.829 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.547 -10.309 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.365 -10.366 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.653 -11.912 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.307 -10.618 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.335 -11.232 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.164 -12.850 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.286 -12.904 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.936 -14.502 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.575 -13.409 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.201 -14.328 -3.139 1.00 0.00 H new ATOM 1575 N SER A 115 -0.150 -8.211 0.678 1.00 0.00 N ATOM 1576 CA SER A 115 0.570 -8.026 1.912 1.00 0.00 C ATOM 1577 C SER A 115 0.137 -9.201 2.792 1.00 0.00 C ATOM 1578 O SER A 115 -0.976 -9.180 3.307 1.00 0.00 O ATOM 1579 CB SER A 115 0.142 -6.661 2.472 1.00 0.00 C ATOM 1580 OG SER A 115 -1.237 -6.367 2.310 1.00 0.00 O ATOM 0 H SER A 115 -1.138 -7.970 0.762 1.00 0.00 H new ATOM 0 HA SER A 115 1.657 -8.018 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.386 -6.625 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.727 -5.882 1.983 1.00 0.00 H new ATOM 0 HG SER A 115 -1.769 -7.156 2.545 1.00 0.00 H new ATOM 1586 N PHE A 116 1.001 -10.198 3.009 1.00 0.00 N ATOM 1587 CA PHE A 116 0.754 -11.418 3.784 1.00 0.00 C ATOM 1588 C PHE A 116 -0.708 -11.915 3.670 1.00 0.00 C ATOM 1589 O PHE A 116 -1.508 -11.844 4.613 1.00 0.00 O ATOM 1590 CB PHE A 116 1.283 -11.329 5.226 1.00 0.00 C ATOM 1591 CG PHE A 116 1.282 -12.640 6.026 1.00 0.00 C ATOM 1592 CD1 PHE A 116 0.913 -13.887 5.468 1.00 0.00 C ATOM 1593 CD2 PHE A 116 1.698 -12.612 7.369 1.00 0.00 C ATOM 1594 CE1 PHE A 116 0.936 -15.058 6.246 1.00 0.00 C ATOM 1595 CE2 PHE A 116 1.744 -13.786 8.143 1.00 0.00 C ATOM 1596 CZ PHE A 116 1.366 -15.014 7.582 1.00 0.00 C ATOM 0 H PHE A 116 1.946 -10.173 2.626 1.00 0.00 H new ATOM 0 HA PHE A 116 1.351 -12.204 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 116 2.303 -10.947 5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 116 0.684 -10.596 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.610 -13.940 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.988 -11.672 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 116 0.621 -15.996 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.071 -13.741 9.171 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.405 -15.918 8.172 1.00 0.00 H new ATOM 1606 N GLU A 117 -1.069 -12.328 2.456 1.00 0.00 N ATOM 1607 CA GLU A 117 -2.374 -12.860 2.097 1.00 0.00 C ATOM 1608 C GLU A 117 -2.524 -14.295 2.619 1.00 0.00 C ATOM 1609 O GLU A 117 -1.638 -14.828 3.297 1.00 0.00 O ATOM 1610 CB GLU A 117 -2.574 -12.818 0.561 1.00 0.00 C ATOM 1611 CG GLU A 117 -1.574 -13.683 -0.238 1.00 0.00 C ATOM 1612 CD GLU A 117 -2.091 -14.138 -1.608 1.00 0.00 C ATOM 1613 OE1 GLU A 117 -2.627 -13.307 -2.373 1.00 0.00 O ATOM 1614 OE2 GLU A 117 -1.902 -15.328 -1.971 1.00 0.00 O ATOM 0 H GLU A 117 -0.428 -12.298 1.663 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.141 -12.239 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.587 -13.148 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.491 -11.785 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.653 -13.117 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.320 -14.563 0.352 1.00 0.00 H new ATOM 1621 N ALA A 118 -3.670 -14.911 2.316 1.00 0.00 N ATOM 1622 CA ALA A 118 -3.976 -16.272 2.693 1.00 0.00 C ATOM 1623 C ALA A 118 -4.718 -17.019 1.602 1.00 0.00 C ATOM 1624 O ALA A 118 -4.454 -16.822 0.414 1.00 0.00 O ATOM 1625 CB ALA A 118 -4.521 -16.373 4.131 1.00 0.00 C ATOM 0 H ALA A 118 -4.419 -14.459 1.791 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.046 -16.837 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.736 -17.415 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.778 -15.989 4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.436 -15.786 4.215 1.00 0.00 H new ATOM 1631 N ASP A 119 -5.536 -17.966 2.034 1.00 0.00 N ATOM 1632 CA ASP A 119 -6.352 -18.873 1.262 1.00 0.00 C ATOM 1633 C ASP A 119 -7.818 -18.464 1.319 1.00 0.00 C ATOM 1634 O ASP A 119 -8.212 -17.712 2.214 1.00 0.00 O ATOM 1635 CB ASP A 119 -6.132 -20.298 1.762 1.00 0.00 C ATOM 1636 CG ASP A 119 -6.940 -21.296 0.947 1.00 0.00 C ATOM 1637 OD1 ASP A 119 -6.939 -21.169 -0.300 1.00 0.00 O ATOM 1638 OD2 ASP A 119 -7.613 -22.134 1.587 1.00 0.00 O ATOM 0 H ASP A 119 -5.652 -18.130 3.034 1.00 0.00 H new ATOM 0 HA ASP A 119 -6.057 -18.830 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.073 -20.548 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.417 -20.366 2.812 1.00 0.00 H new ATOM 1643 N ALA A 120 -8.599 -18.888 0.323 1.00 0.00 N ATOM 1644 CA ALA A 120 -10.017 -18.594 0.181 1.00 0.00 C ATOM 1645 C ALA A 120 -10.822 -18.858 1.454 1.00 0.00 C ATOM 1646 O ALA A 120 -11.827 -18.188 1.662 1.00 0.00 O ATOM 1647 CB ALA A 120 -10.572 -19.398 -0.995 1.00 0.00 C ATOM 0 H ALA A 120 -8.241 -19.469 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 120 -10.118 -17.526 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.635 -19.186 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.044 -19.120 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -10.433 -20.462 -0.806 1.00 0.00 H new ATOM 1653 N GLU A 121 -10.382 -19.757 2.338 1.00 0.00 N ATOM 1654 CA GLU A 121 -11.094 -20.072 3.572 1.00 0.00 C ATOM 1655 C GLU A 121 -10.517 -19.352 4.801 1.00 0.00 C ATOM 1656 O GLU A 121 -11.058 -19.482 5.898 1.00 0.00 O ATOM 1657 CB GLU A 121 -11.092 -21.601 3.739 1.00 0.00 C ATOM 1658 CG GLU A 121 -12.362 -22.130 4.418 1.00 0.00 C ATOM 1659 CD GLU A 121 -13.607 -21.828 3.579 1.00 0.00 C ATOM 1660 OE1 GLU A 121 -13.770 -22.439 2.502 1.00 0.00 O ATOM 1661 OE2 GLU A 121 -14.423 -20.969 3.994 1.00 0.00 O ATOM 0 H GLU A 121 -9.519 -20.287 2.215 1.00 0.00 H new ATOM 0 HA GLU A 121 -12.118 -19.705 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.988 -22.068 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.222 -21.896 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.275 -23.206 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.466 -21.677 5.404 1.00 0.00 H new ATOM 1668 N GLY A 122 -9.428 -18.594 4.635 1.00 0.00 N ATOM 1669 CA GLY A 122 -8.751 -17.856 5.693 1.00 0.00 C ATOM 1670 C GLY A 122 -8.855 -16.337 5.543 1.00 0.00 C ATOM 1671 O GLY A 122 -8.964 -15.652 6.560 1.00 0.00 O ATOM 0 H GLY A 122 -8.982 -18.477 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.173 -18.147 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -7.699 -18.140 5.707 1.00 0.00 H new ATOM 1675 N ARG A 123 -8.837 -15.825 4.305 1.00 0.00 N ATOM 1676 CA ARG A 123 -8.922 -14.418 3.840 1.00 0.00 C ATOM 1677 C ARG A 123 -8.043 -14.296 2.615 1.00 0.00 C ATOM 1678 O ARG A 123 -6.903 -14.756 2.676 1.00 0.00 O ATOM 1679 CB ARG A 123 -8.500 -13.335 4.868 1.00 0.00 C ATOM 1680 CG ARG A 123 -7.078 -13.472 5.444 1.00 0.00 C ATOM 1681 CD ARG A 123 -6.895 -12.609 6.693 1.00 0.00 C ATOM 1682 NE ARG A 123 -7.291 -13.305 7.925 1.00 0.00 N ATOM 1683 CZ ARG A 123 -6.758 -13.074 9.130 1.00 0.00 C ATOM 1684 NH1 ARG A 123 -5.852 -12.123 9.314 1.00 0.00 N ATOM 1685 NH2 ARG A 123 -7.121 -13.786 10.182 1.00 0.00 N ATOM 0 H ARG A 123 -8.753 -16.454 3.506 1.00 0.00 H new ATOM 0 HA ARG A 123 -9.977 -14.222 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -8.586 -12.358 4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -9.209 -13.351 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -6.883 -14.516 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -6.348 -13.180 4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.851 -12.306 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -7.484 -11.698 6.590 1.00 0.00 H new ATOM 0 HE ARG A 123 -8.022 -14.013 7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -5.548 -11.549 8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -5.460 -11.965 10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.817 -14.525 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -6.705 -13.597 11.094 1.00 0.00 H new ATOM 1699 N ARG A 124 -8.452 -13.621 1.539 1.00 0.00 N ATOM 1700 CA ARG A 124 -7.618 -13.492 0.352 1.00 0.00 C ATOM 1701 C ARG A 124 -7.585 -12.054 -0.132 1.00 0.00 C ATOM 1702 O ARG A 124 -8.599 -11.364 -0.106 1.00 0.00 O ATOM 1703 CB ARG A 124 -8.125 -14.482 -0.671 1.00 0.00 C ATOM 1704 CG ARG A 124 -7.390 -15.828 -0.532 1.00 0.00 C ATOM 1705 CD ARG A 124 -6.459 -16.175 -1.688 1.00 0.00 C ATOM 1706 NE ARG A 124 -7.091 -16.001 -3.010 1.00 0.00 N ATOM 1707 CZ ARG A 124 -7.132 -16.897 -4.000 1.00 0.00 C ATOM 1708 NH1 ARG A 124 -6.635 -18.120 -3.855 1.00 0.00 N ATOM 1709 NH2 ARG A 124 -7.674 -16.544 -5.154 1.00 0.00 N ATOM 0 H ARG A 124 -9.357 -13.156 1.469 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.576 -13.732 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.197 -14.631 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.979 -14.083 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.810 -15.815 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.131 -16.621 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -5.569 -15.548 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.128 -17.208 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.543 -15.104 -3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -6.208 -18.396 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -6.680 -18.784 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.050 -15.604 -5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -7.716 -17.212 -5.923 1.00 0.00 H new ATOM 1723 N PHE A 125 -6.447 -11.641 -0.679 1.00 0.00 N ATOM 1724 CA PHE A 125 -6.201 -10.284 -1.147 1.00 0.00 C ATOM 1725 C PHE A 125 -6.800 -9.989 -2.518 1.00 0.00 C ATOM 1726 O PHE A 125 -6.761 -10.819 -3.427 1.00 0.00 O ATOM 1727 CB PHE A 125 -4.665 -10.122 -1.274 1.00 0.00 C ATOM 1728 CG PHE A 125 -4.214 -9.272 -2.452 1.00 0.00 C ATOM 1729 CD1 PHE A 125 -4.284 -7.873 -2.375 1.00 0.00 C ATOM 1730 CD2 PHE A 125 -3.901 -9.886 -3.683 1.00 0.00 C ATOM 1731 CE1 PHE A 125 -4.079 -7.103 -3.529 1.00 0.00 C ATOM 1732 CE2 PHE A 125 -3.687 -9.110 -4.834 1.00 0.00 C ATOM 1733 CZ PHE A 125 -3.796 -7.713 -4.761 1.00 0.00 C ATOM 0 H PHE A 125 -5.647 -12.260 -0.812 1.00 0.00 H new ATOM 0 HA PHE A 125 -6.664 -9.600 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.282 -9.678 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.214 -11.111 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.495 -7.391 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.825 -10.962 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.140 -6.026 -3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.440 -9.586 -5.771 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.663 -7.111 -5.648 1.00 0.00 H new ATOM 1743 N GLU A 126 -7.366 -8.794 -2.662 1.00 0.00 N ATOM 1744 CA GLU A 126 -7.917 -8.274 -3.896 1.00 0.00 C ATOM 1745 C GLU A 126 -8.064 -6.767 -3.703 1.00 0.00 C ATOM 1746 O GLU A 126 -8.904 -6.295 -2.939 1.00 0.00 O ATOM 1747 CB GLU A 126 -9.261 -8.936 -4.186 1.00 0.00 C ATOM 1748 CG GLU A 126 -9.750 -8.657 -5.602 1.00 0.00 C ATOM 1749 CD GLU A 126 -10.783 -9.697 -6.008 1.00 0.00 C ATOM 1750 OE1 GLU A 126 -10.398 -10.780 -6.541 1.00 0.00 O ATOM 1751 OE2 GLU A 126 -11.976 -9.457 -5.808 1.00 0.00 O ATOM 0 H GLU A 126 -7.454 -8.139 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.272 -8.484 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.172 -10.013 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.002 -8.578 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.185 -7.659 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.910 -8.676 -6.296 1.00 0.00 H new ATOM 1758 N VAL A 127 -7.216 -6.017 -4.381 1.00 0.00 N ATOM 1759 CA VAL A 127 -7.132 -4.559 -4.397 1.00 0.00 C ATOM 1760 C VAL A 127 -6.655 -4.151 -5.785 1.00 0.00 C ATOM 1761 O VAL A 127 -6.305 -5.027 -6.586 1.00 0.00 O ATOM 1762 CB VAL A 127 -6.200 -4.096 -3.244 1.00 0.00 C ATOM 1763 CG1 VAL A 127 -4.862 -3.456 -3.656 1.00 0.00 C ATOM 1764 CG2 VAL A 127 -6.938 -3.143 -2.312 1.00 0.00 C ATOM 0 H VAL A 127 -6.510 -6.440 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.092 -4.074 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 127 -5.930 -5.027 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -4.303 -3.176 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -4.281 -4.171 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -5.054 -2.568 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -6.270 -2.829 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -7.268 -2.269 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -7.804 -3.649 -1.886 1.00 0.00 H new ATOM 1774 N ALA A 128 -6.677 -2.863 -6.101 1.00 0.00 N ATOM 1775 CA ALA A 128 -6.147 -2.386 -7.376 1.00 0.00 C ATOM 1776 C ALA A 128 -5.654 -0.963 -7.202 1.00 0.00 C ATOM 1777 O ALA A 128 -6.442 -0.090 -6.853 1.00 0.00 O ATOM 1778 CB ALA A 128 -7.138 -2.452 -8.540 1.00 0.00 C ATOM 0 H ALA A 128 -7.053 -2.132 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.334 -3.061 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.661 -2.079 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -7.451 -3.485 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.010 -1.839 -8.311 1.00 0.00 H new ATOM 1784 N LEU A 129 -4.372 -0.751 -7.469 1.00 0.00 N ATOM 1785 CA LEU A 129 -3.692 0.532 -7.402 1.00 0.00 C ATOM 1786 C LEU A 129 -3.756 1.099 -8.819 1.00 0.00 C ATOM 1787 O LEU A 129 -3.525 0.336 -9.764 1.00 0.00 O ATOM 1788 CB LEU A 129 -2.222 0.241 -7.040 1.00 0.00 C ATOM 1789 CG LEU A 129 -1.315 1.484 -6.984 1.00 0.00 C ATOM 1790 CD1 LEU A 129 -1.530 2.151 -5.639 1.00 0.00 C ATOM 1791 CD2 LEU A 129 0.171 1.141 -7.114 1.00 0.00 C ATOM 0 H LEU A 129 -3.749 -1.508 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.128 1.219 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.192 -0.257 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.814 -0.457 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.577 2.131 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.900 3.038 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -2.576 2.440 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.269 1.455 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.761 2.056 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.464 0.479 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.347 0.643 -8.068 1.00 0.00 H new ATOM 1803 N ASP A 130 -4.079 2.381 -8.990 1.00 0.00 N ATOM 1804 CA ASP A 130 -4.139 2.975 -10.330 1.00 0.00 C ATOM 1805 C ASP A 130 -2.711 3.225 -10.814 1.00 0.00 C ATOM 1806 O ASP A 130 -1.993 4.053 -10.240 1.00 0.00 O ATOM 1807 CB ASP A 130 -4.977 4.261 -10.351 1.00 0.00 C ATOM 1808 CG ASP A 130 -5.253 4.783 -11.761 1.00 0.00 C ATOM 1809 OD1 ASP A 130 -4.319 5.022 -12.560 1.00 0.00 O ATOM 1810 OD2 ASP A 130 -6.452 4.993 -12.065 1.00 0.00 O ATOM 0 H ASP A 130 -4.301 3.023 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 130 -4.638 2.282 -11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.926 4.076 -9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.459 5.032 -9.781 1.00 0.00 H new ATOM 1815 N GLY A 131 -2.289 2.490 -11.842 1.00 0.00 N ATOM 1816 CA GLY A 131 -0.972 2.582 -12.451 1.00 0.00 C ATOM 1817 C GLY A 131 0.105 1.851 -11.654 1.00 0.00 C ATOM 1818 O GLY A 131 -0.175 1.120 -10.698 1.00 0.00 O ATOM 0 H GLY A 131 -2.881 1.789 -12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -1.014 2.169 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.695 3.632 -12.548 1.00 0.00 H new ATOM 1822 N ASP A 132 1.338 2.012 -12.116 1.00 0.00 N ATOM 1823 CA ASP A 132 2.614 1.492 -11.640 1.00 0.00 C ATOM 1824 C ASP A 132 3.594 2.671 -11.565 1.00 0.00 C ATOM 1825 O ASP A 132 3.256 3.791 -11.947 1.00 0.00 O ATOM 1826 CB ASP A 132 3.063 0.426 -12.650 1.00 0.00 C ATOM 1827 CG ASP A 132 4.496 -0.103 -12.486 1.00 0.00 C ATOM 1828 OD1 ASP A 132 4.994 -0.294 -11.358 1.00 0.00 O ATOM 1829 OD2 ASP A 132 5.171 -0.283 -13.528 1.00 0.00 O ATOM 0 H ASP A 132 1.485 2.588 -12.945 1.00 0.00 H new ATOM 0 HA ASP A 132 2.555 1.037 -10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.377 -0.418 -12.585 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.964 0.841 -13.653 1.00 0.00 H new ATOM 1834 N HIS A 133 4.803 2.440 -11.064 1.00 0.00 N ATOM 1835 CA HIS A 133 5.878 3.418 -10.908 1.00 0.00 C ATOM 1836 C HIS A 133 7.206 2.873 -11.459 1.00 0.00 C ATOM 1837 O HIS A 133 8.185 3.615 -11.501 1.00 0.00 O ATOM 1838 CB HIS A 133 5.971 3.877 -9.435 1.00 0.00 C ATOM 1839 CG HIS A 133 5.372 2.904 -8.449 1.00 0.00 C ATOM 1840 ND1 HIS A 133 4.055 2.895 -8.049 1.00 0.00 N ATOM 1841 CD2 HIS A 133 5.976 1.795 -7.929 1.00 0.00 C ATOM 1842 CE1 HIS A 133 3.877 1.813 -7.276 1.00 0.00 C ATOM 1843 NE2 HIS A 133 5.026 1.124 -7.153 1.00 0.00 N ATOM 0 H HIS A 133 5.076 1.513 -10.737 1.00 0.00 H new ATOM 0 HA HIS A 133 5.649 4.303 -11.502 1.00 0.00 H new ATOM 0 HB2 HIS A 133 7.019 4.037 -9.181 1.00 0.00 H new ATOM 0 HB3 HIS A 133 5.468 4.838 -9.332 1.00 0.00 H new ATOM 0 HD2 HIS A 133 7.000 1.492 -8.088 1.00 0.00 H new ATOM 0 HE1 HIS A 133 2.941 1.534 -6.816 1.00 0.00 H new ATOM 0 HE2 HIS A 133 5.175 0.279 -6.602 1.00 0.00 H new ATOM 1851 N THR A 134 7.255 1.604 -11.897 1.00 0.00 N ATOM 1852 CA THR A 134 8.414 0.908 -12.464 1.00 0.00 C ATOM 1853 C THR A 134 9.697 1.148 -11.648 1.00 0.00 C ATOM 1854 O THR A 134 10.799 1.284 -12.187 1.00 0.00 O ATOM 1855 CB THR A 134 8.495 1.162 -13.989 1.00 0.00 C ATOM 1856 OG1 THR A 134 9.444 0.312 -14.601 1.00 0.00 O ATOM 1857 CG2 THR A 134 8.810 2.599 -14.402 1.00 0.00 C ATOM 0 H THR A 134 6.432 1.002 -11.861 1.00 0.00 H new ATOM 0 HA THR A 134 8.285 -0.170 -12.371 1.00 0.00 H new ATOM 0 HB THR A 134 7.484 0.948 -14.334 1.00 0.00 H new ATOM 0 HG1 THR A 134 10.298 0.378 -14.124 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.843 2.666 -15.489 1.00 0.00 H new ATOM 0 HG22 THR A 134 8.036 3.265 -14.021 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.776 2.892 -13.991 1.00 0.00 H new ATOM 1865 N GLY A 135 9.582 1.155 -10.322 1.00 0.00 N ATOM 1866 CA GLY A 135 10.701 1.381 -9.424 1.00 0.00 C ATOM 1867 C GLY A 135 10.141 1.629 -8.040 1.00 0.00 C ATOM 1868 O GLY A 135 10.283 2.727 -7.503 1.00 0.00 O ATOM 0 H GLY A 135 8.696 1.002 -9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 135 11.366 0.518 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.291 2.235 -9.756 1.00 0.00 H new ATOM 1872 N ASP A 136 9.499 0.609 -7.477 1.00 0.00 N ATOM 1873 CA ASP A 136 8.868 0.631 -6.163 1.00 0.00 C ATOM 1874 C ASP A 136 9.858 0.977 -5.051 1.00 0.00 C ATOM 1875 O ASP A 136 10.994 0.493 -5.051 1.00 0.00 O ATOM 1876 CB ASP A 136 8.233 -0.737 -5.876 1.00 0.00 C ATOM 1877 CG ASP A 136 9.248 -1.865 -5.654 1.00 0.00 C ATOM 1878 OD1 ASP A 136 9.815 -2.394 -6.634 1.00 0.00 O ATOM 1879 OD2 ASP A 136 9.450 -2.288 -4.490 1.00 0.00 O ATOM 0 H ASP A 136 9.401 -0.292 -7.944 1.00 0.00 H new ATOM 0 HA ASP A 136 8.105 1.409 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.600 -0.653 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.584 -1.006 -6.709 1.00 0.00 H new ATOM 1884 N LEU A 137 9.424 1.839 -4.125 1.00 0.00 N ATOM 1885 CA LEU A 137 10.193 2.302 -2.965 1.00 0.00 C ATOM 1886 C LEU A 137 9.897 1.370 -1.787 1.00 0.00 C ATOM 1887 O LEU A 137 8.853 0.712 -1.776 1.00 0.00 O ATOM 1888 CB LEU A 137 9.990 3.793 -2.643 1.00 0.00 C ATOM 1889 CG LEU A 137 10.713 4.831 -3.525 1.00 0.00 C ATOM 1890 CD1 LEU A 137 12.238 4.789 -3.385 1.00 0.00 C ATOM 1891 CD2 LEU A 137 10.346 4.666 -4.992 1.00 0.00 C ATOM 0 H LEU A 137 8.491 2.249 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 137 11.256 2.246 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 137 8.921 4.002 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 137 10.302 3.957 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 137 10.371 5.801 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 137 12.684 5.544 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 137 12.514 4.990 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 137 12.603 3.803 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 137 10.873 5.413 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 137 10.631 3.669 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 137 9.271 4.797 -5.115 1.00 0.00 H new ATOM 1903 N SER A 138 10.804 1.305 -0.807 1.00 0.00 N ATOM 1904 CA SER A 138 10.712 0.438 0.360 1.00 0.00 C ATOM 1905 C SER A 138 11.408 1.087 1.553 1.00 0.00 C ATOM 1906 O SER A 138 10.729 1.732 2.341 1.00 0.00 O ATOM 1907 CB SER A 138 11.366 -0.905 0.037 1.00 0.00 C ATOM 1908 OG SER A 138 10.753 -1.565 -1.058 1.00 0.00 O ATOM 0 H SER A 138 11.649 1.876 -0.810 1.00 0.00 H new ATOM 0 HA SER A 138 9.664 0.281 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 138 12.421 -0.746 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 138 11.318 -1.548 0.916 1.00 0.00 H new ATOM 0 HG SER A 138 11.209 -2.416 -1.224 1.00 0.00 H new ATOM 1914 N ALA A 139 12.743 1.004 1.643 1.00 0.00 N ATOM 1915 CA ALA A 139 13.571 1.559 2.711 1.00 0.00 C ATOM 1916 C ALA A 139 13.346 3.060 2.926 1.00 0.00 C ATOM 1917 O ALA A 139 13.727 3.589 3.971 1.00 0.00 O ATOM 1918 CB ALA A 139 15.047 1.293 2.386 1.00 0.00 C ATOM 0 H ALA A 139 13.298 0.523 0.935 1.00 0.00 H new ATOM 0 HA ALA A 139 13.284 1.066 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 139 15.674 1.704 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 139 15.215 0.219 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.302 1.767 1.438 1.00 0.00 H new ATOM 1924 N ALA A 140 12.762 3.752 1.944 1.00 0.00 N ATOM 1925 CA ALA A 140 12.448 5.172 1.979 1.00 0.00 C ATOM 1926 C ALA A 140 10.942 5.458 1.913 1.00 0.00 C ATOM 1927 O ALA A 140 10.533 6.597 2.121 1.00 0.00 O ATOM 1928 CB ALA A 140 13.173 5.909 0.852 1.00 0.00 C ATOM 0 H ALA A 140 12.485 3.313 1.066 1.00 0.00 H new ATOM 0 HA ALA A 140 12.798 5.541 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 140 12.926 6.970 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 140 14.249 5.782 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 140 12.861 5.501 -0.109 1.00 0.00 H new ATOM 1934 N ASN A 141 10.123 4.441 1.631 1.00 0.00 N ATOM 1935 CA ASN A 141 8.674 4.551 1.515 1.00 0.00 C ATOM 1936 C ASN A 141 7.965 3.770 2.610 1.00 0.00 C ATOM 1937 O ASN A 141 7.569 4.329 3.631 1.00 0.00 O ATOM 1938 CB ASN A 141 8.300 4.104 0.090 1.00 0.00 C ATOM 1939 CG ASN A 141 6.890 3.611 -0.228 1.00 0.00 C ATOM 1940 OD1 ASN A 141 5.963 3.640 0.572 1.00 0.00 O ATOM 1941 ND2 ASN A 141 6.771 3.004 -1.398 1.00 0.00 N ATOM 0 H ASN A 141 10.464 3.493 1.473 1.00 0.00 H new ATOM 0 HA ASN A 141 8.341 5.579 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 141 8.503 4.945 -0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 141 8.989 3.306 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 141 5.894 2.548 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 141 7.556 2.992 -2.049 1.00 0.00 H new ATOM 1948 N VAL A 142 7.850 2.471 2.384 1.00 0.00 N ATOM 1949 CA VAL A 142 7.191 1.477 3.193 1.00 0.00 C ATOM 1950 C VAL A 142 7.665 1.498 4.645 1.00 0.00 C ATOM 1951 O VAL A 142 8.866 1.546 4.940 1.00 0.00 O ATOM 1952 CB VAL A 142 7.408 0.105 2.519 1.00 0.00 C ATOM 1953 CG1 VAL A 142 6.579 -1.016 3.143 1.00 0.00 C ATOM 1954 CG2 VAL A 142 7.090 0.081 1.007 1.00 0.00 C ATOM 0 H VAL A 142 8.258 2.054 1.547 1.00 0.00 H new ATOM 0 HA VAL A 142 6.124 1.694 3.249 1.00 0.00 H new ATOM 0 HB VAL A 142 8.473 -0.062 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.780 -1.951 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 142 6.845 -1.123 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 142 5.519 -0.775 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 142 7.269 -0.919 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.046 0.351 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.731 0.795 0.489 1.00 0.00 H new ATOM 1964 N VAL A 143 6.698 1.393 5.555 1.00 0.00 N ATOM 1965 CA VAL A 143 6.940 1.381 6.990 1.00 0.00 C ATOM 1966 C VAL A 143 7.809 0.177 7.345 1.00 0.00 C ATOM 1967 O VAL A 143 7.758 -0.870 6.691 1.00 0.00 O ATOM 1968 CB VAL A 143 5.604 1.415 7.760 1.00 0.00 C ATOM 1969 CG1 VAL A 143 4.791 0.124 7.599 1.00 0.00 C ATOM 1970 CG2 VAL A 143 5.773 1.731 9.252 1.00 0.00 C ATOM 0 H VAL A 143 5.711 1.313 5.309 1.00 0.00 H new ATOM 0 HA VAL A 143 7.486 2.275 7.290 1.00 0.00 H new ATOM 0 HB VAL A 143 5.049 2.233 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.862 0.206 8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 143 4.563 -0.033 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 143 5.370 -0.720 7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 143 4.796 1.740 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 143 6.400 0.970 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 143 6.243 2.708 9.366 1.00 0.00 H new ATOM 1980 N PHE A 144 8.592 0.313 8.404 1.00 0.00 N ATOM 1981 CA PHE A 144 9.474 -0.731 8.883 1.00 0.00 C ATOM 1982 C PHE A 144 8.702 -1.867 9.554 1.00 0.00 C ATOM 1983 O PHE A 144 9.105 -3.014 9.435 1.00 0.00 O ATOM 1984 CB PHE A 144 10.497 -0.111 9.836 1.00 0.00 C ATOM 1985 CG PHE A 144 11.854 0.091 9.180 1.00 0.00 C ATOM 1986 CD1 PHE A 144 12.504 -0.994 8.557 1.00 0.00 C ATOM 1987 CD2 PHE A 144 12.436 1.371 9.110 1.00 0.00 C ATOM 1988 CE1 PHE A 144 13.710 -0.799 7.862 1.00 0.00 C ATOM 1989 CE2 PHE A 144 13.655 1.559 8.432 1.00 0.00 C ATOM 1990 CZ PHE A 144 14.295 0.475 7.810 1.00 0.00 C ATOM 0 H PHE A 144 8.630 1.167 8.961 1.00 0.00 H new ATOM 0 HA PHE A 144 9.991 -1.176 8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 144 10.122 0.849 10.192 1.00 0.00 H new ATOM 0 HB3 PHE A 144 10.611 -0.753 10.710 1.00 0.00 H new ATOM 0 HD1 PHE A 144 12.072 -1.982 8.614 1.00 0.00 H new ATOM 0 HD2 PHE A 144 11.945 2.212 9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 144 14.187 -1.632 7.367 1.00 0.00 H new ATOM 0 HE2 PHE A 144 14.100 2.542 8.390 1.00 0.00 H new ATOM 0 HZ PHE A 144 15.233 0.621 7.294 1.00 0.00 H new