USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 529 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 40 ASN :FLIP amide:sc= -0.126 F(o=-2.1!,f=0.42) USER MOD Set 1.2: A 44 SER OG : rot 45:sc= 0.544 USER MOD Set 2.1: A 26 CYS SG : rot -157:sc= 1.23 USER MOD Set 2.2: A 54 TYR OH : rot -104:sc= 0.482 USER MOD Set 2.3: A 58 MET CE :methyl 152:sc= -0.198 (180deg=-0.8) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.066 (180deg=-0.398) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0463 (180deg=-0.414) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0695 (180deg=-0.434) USER MOD Single : A 8 GLN :FLIP amide:sc=-0.00269 F(o=-1.2,f=-0.0027) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.17) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0263 (180deg=-0.277) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 0.168 (180deg=-0.568) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0314 (180deg=-0.254) USER MOD Single : A 35 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 36 CYS SG : rot 160:sc= 0.0288 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0312 (180deg=-0.279) USER MOD Single : A 47 CYS SG : rot -22:sc= -0.729 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= -0.0933 (180deg=-2.31!) USER MOD Single : A 57 CYS SG : rot 71:sc= -0.297 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.0195 (180deg=-0.272) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.465 -25.911 -37.441 1.00 0.00 N ATOM 2 CA MET A 1 0.574 -25.824 -36.381 1.00 0.00 C ATOM 3 C MET A 1 1.765 -24.996 -36.853 1.00 0.00 C ATOM 4 O MET A 1 2.429 -25.346 -37.830 1.00 0.00 O ATOM 5 CB MET A 1 1.045 -27.225 -35.987 1.00 0.00 C ATOM 6 CG MET A 1 -0.060 -28.101 -35.420 1.00 0.00 C ATOM 7 SD MET A 1 0.473 -29.800 -35.138 1.00 0.00 S ATOM 8 CE MET A 1 1.774 -29.554 -33.931 1.00 0.00 C ATOM 0 H1 MET A 1 -1.369 -26.202 -37.018 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.577 -24.982 -37.894 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.176 -26.611 -38.154 1.00 0.00 H new ATOM 0 HA MET A 1 0.132 -25.334 -35.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.473 -27.715 -36.862 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.842 -27.137 -35.249 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.410 -27.674 -34.480 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.907 -28.100 -36.106 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.007 -30.503 -33.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.665 -29.172 -34.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.443 -28.837 -33.180 1.00 0.00 H new ATOM 20 N THR A 2 2.029 -23.898 -36.153 1.00 0.00 N ATOM 21 CA THR A 2 3.140 -23.018 -36.499 1.00 0.00 C ATOM 22 C THR A 2 4.453 -23.542 -35.925 1.00 0.00 C ATOM 23 O THR A 2 5.492 -23.487 -36.584 1.00 0.00 O ATOM 24 CB THR A 2 2.900 -21.586 -35.987 1.00 0.00 C ATOM 25 OG1 THR A 2 2.732 -21.596 -34.565 1.00 0.00 O ATOM 26 CG2 THR A 2 1.670 -20.977 -36.644 1.00 0.00 C ATOM 0 H THR A 2 1.489 -23.596 -35.342 1.00 0.00 H new ATOM 0 HA THR A 2 3.205 -22.999 -37.587 1.00 0.00 H new ATOM 0 HB THR A 2 3.769 -20.980 -36.245 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.582 -20.681 -34.247 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.520 -19.965 -36.267 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.813 -20.945 -37.724 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.795 -21.584 -36.412 1.00 0.00 H new ATOM 34 N GLU A 3 4.393 -24.046 -34.695 1.00 0.00 N ATOM 35 CA GLU A 3 5.571 -24.588 -34.020 1.00 0.00 C ATOM 36 C GLU A 3 6.648 -23.521 -33.835 1.00 0.00 C ATOM 37 O GLU A 3 7.341 -23.151 -34.783 1.00 0.00 O ATOM 38 CB GLU A 3 6.136 -25.778 -34.801 1.00 0.00 C ATOM 39 CG GLU A 3 5.181 -26.958 -34.886 1.00 0.00 C ATOM 40 CD GLU A 3 5.767 -28.131 -35.648 1.00 0.00 C ATOM 41 OE1 GLU A 3 6.492 -28.939 -35.029 1.00 0.00 O ATOM 42 OE2 GLU A 3 5.498 -28.245 -36.862 1.00 0.00 O ATOM 0 H GLU A 3 3.537 -24.091 -34.142 1.00 0.00 H new ATOM 0 HA GLU A 3 5.259 -24.927 -33.032 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.389 -25.453 -35.810 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.063 -26.104 -34.329 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.917 -27.280 -33.879 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.258 -26.639 -35.371 1.00 0.00 H new ATOM 49 N THR A 4 6.785 -23.035 -32.604 1.00 0.00 N ATOM 50 CA THR A 4 7.779 -22.016 -32.286 1.00 0.00 C ATOM 51 C THR A 4 8.609 -22.423 -31.074 1.00 0.00 C ATOM 52 O THR A 4 8.099 -23.040 -30.138 1.00 0.00 O ATOM 53 CB THR A 4 7.117 -20.653 -32.007 1.00 0.00 C ATOM 54 OG1 THR A 4 6.179 -20.775 -30.931 1.00 0.00 O ATOM 55 CG2 THR A 4 6.408 -20.133 -33.249 1.00 0.00 C ATOM 0 H THR A 4 6.218 -23.332 -31.809 1.00 0.00 H new ATOM 0 HA THR A 4 8.429 -21.923 -33.156 1.00 0.00 H new ATOM 0 HB THR A 4 7.897 -19.944 -31.729 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.764 -19.904 -30.759 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.948 -19.170 -33.029 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.130 -20.014 -34.057 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.638 -20.842 -33.552 1.00 0.00 H new ATOM 63 N ASP A 5 9.892 -22.073 -31.096 1.00 0.00 N ATOM 64 CA ASP A 5 10.794 -22.408 -30.001 1.00 0.00 C ATOM 65 C ASP A 5 11.591 -21.186 -29.555 1.00 0.00 C ATOM 66 O ASP A 5 11.969 -21.073 -28.389 1.00 0.00 O ATOM 67 CB ASP A 5 11.746 -23.528 -30.428 1.00 0.00 C ATOM 68 CG ASP A 5 12.623 -24.009 -29.289 1.00 0.00 C ATOM 69 OD1 ASP A 5 13.716 -23.437 -29.098 1.00 0.00 O ATOM 70 OD2 ASP A 5 12.216 -24.960 -28.588 1.00 0.00 O ATOM 0 H ASP A 5 10.329 -21.558 -31.860 1.00 0.00 H new ATOM 0 HA ASP A 5 10.193 -22.750 -29.158 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.166 -24.366 -30.815 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.377 -23.174 -31.243 1.00 0.00 H new ATOM 75 N LYS A 6 11.844 -20.276 -30.494 1.00 0.00 N ATOM 76 CA LYS A 6 12.597 -19.055 -30.208 1.00 0.00 C ATOM 77 C LYS A 6 13.996 -19.378 -29.692 1.00 0.00 C ATOM 78 O LYS A 6 14.690 -18.505 -29.169 1.00 0.00 O ATOM 79 CB LYS A 6 11.852 -18.191 -29.188 1.00 0.00 C ATOM 80 CG LYS A 6 10.495 -17.712 -29.675 1.00 0.00 C ATOM 81 CD LYS A 6 9.797 -16.859 -28.628 1.00 0.00 C ATOM 82 CE LYS A 6 8.469 -16.327 -29.140 1.00 0.00 C ATOM 83 NZ LYS A 6 7.774 -15.494 -28.120 1.00 0.00 N ATOM 0 H LYS A 6 11.537 -20.361 -31.463 1.00 0.00 H new ATOM 0 HA LYS A 6 12.695 -18.500 -31.141 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.719 -18.762 -28.269 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.466 -17.325 -28.939 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.619 -17.136 -30.592 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.871 -18.571 -29.921 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.631 -17.450 -27.727 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.441 -16.025 -28.348 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.638 -15.734 -30.039 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.829 -17.162 -29.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.872 -15.150 -28.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.590 -16.066 -27.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.374 -14.683 -27.867 1.00 0.00 H new ATOM 97 N LYS A 7 14.405 -20.637 -29.842 1.00 0.00 N ATOM 98 CA LYS A 7 15.723 -21.080 -29.395 1.00 0.00 C ATOM 99 C LYS A 7 15.887 -20.864 -27.892 1.00 0.00 C ATOM 100 O LYS A 7 14.948 -20.456 -27.207 1.00 0.00 O ATOM 101 CB LYS A 7 16.821 -20.335 -30.159 1.00 0.00 C ATOM 102 CG LYS A 7 18.109 -21.131 -30.308 1.00 0.00 C ATOM 103 CD LYS A 7 19.174 -20.343 -31.056 1.00 0.00 C ATOM 104 CE LYS A 7 18.774 -20.095 -32.501 1.00 0.00 C ATOM 105 NZ LYS A 7 18.517 -21.367 -33.230 1.00 0.00 N ATOM 0 H LYS A 7 13.840 -21.370 -30.271 1.00 0.00 H new ATOM 0 HA LYS A 7 15.812 -22.147 -29.600 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.449 -20.074 -31.150 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.040 -19.400 -29.644 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.484 -21.404 -29.322 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.903 -22.060 -30.840 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.341 -19.389 -30.555 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.118 -20.888 -31.027 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.879 -19.473 -32.529 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.564 -19.540 -33.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.532 -21.189 -34.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.253 -22.060 -32.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.586 -21.742 -32.957 1.00 0.00 H new ATOM 119 N GLN A 8 17.084 -21.146 -27.385 1.00 0.00 N ATOM 120 CA GLN A 8 17.371 -20.986 -25.964 1.00 0.00 C ATOM 121 C GLN A 8 17.619 -19.522 -25.612 1.00 0.00 C ATOM 122 O GLN A 8 16.891 -18.935 -24.811 1.00 0.00 O ATOM 123 CB GLN A 8 18.589 -21.824 -25.574 1.00 0.00 C ATOM 124 CG GLN A 8 18.406 -23.313 -25.817 1.00 0.00 C ATOM 125 CD GLN A 8 19.608 -24.130 -25.383 1.00 0.00 C ATOM 126 OE1 GLN A 8 20.306 -23.661 -24.354 1.00 0.00 O flip ATOM 127 NE2 GLN A 8 19.905 -25.174 -25.964 1.00 0.00 N flip ATOM 0 H GLN A 8 17.871 -21.487 -27.938 1.00 0.00 H new ATOM 0 HA GLN A 8 16.500 -21.330 -25.406 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.455 -21.476 -26.138 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.809 -21.661 -24.519 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.524 -23.659 -25.279 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.220 -23.484 -26.877 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.342 -25.498 -26.750 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.714 -25.715 -25.659 1.00 0.00 H new ATOM 136 N GLU A 9 18.651 -18.936 -26.213 1.00 0.00 N ATOM 137 CA GLU A 9 18.995 -17.542 -25.953 1.00 0.00 C ATOM 138 C GLU A 9 19.312 -16.799 -27.250 1.00 0.00 C ATOM 139 O GLU A 9 19.307 -15.567 -27.285 1.00 0.00 O ATOM 140 CB GLU A 9 20.190 -17.464 -24.999 1.00 0.00 C ATOM 141 CG GLU A 9 20.556 -16.046 -24.588 1.00 0.00 C ATOM 142 CD GLU A 9 19.432 -15.344 -23.851 1.00 0.00 C ATOM 143 OE1 GLU A 9 19.332 -15.518 -22.617 1.00 0.00 O ATOM 144 OE2 GLU A 9 18.653 -14.619 -24.504 1.00 0.00 O ATOM 0 H GLU A 9 19.262 -19.404 -26.882 1.00 0.00 H new ATOM 0 HA GLU A 9 18.133 -17.063 -25.490 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.967 -18.046 -24.104 1.00 0.00 H new ATOM 0 HB3 GLU A 9 21.054 -17.929 -25.475 1.00 0.00 H new ATOM 0 HG2 GLU A 9 21.441 -16.073 -23.952 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.818 -15.471 -25.476 1.00 0.00 H new ATOM 151 N GLN A 10 19.586 -17.554 -28.311 1.00 0.00 N ATOM 152 CA GLN A 10 19.908 -16.969 -29.612 1.00 0.00 C ATOM 153 C GLN A 10 21.160 -16.099 -29.523 1.00 0.00 C ATOM 154 O GLN A 10 21.836 -16.070 -28.496 1.00 0.00 O ATOM 155 CB GLN A 10 18.735 -16.138 -30.136 1.00 0.00 C ATOM 156 CG GLN A 10 17.476 -16.951 -30.389 1.00 0.00 C ATOM 157 CD GLN A 10 16.341 -16.110 -30.941 1.00 0.00 C ATOM 158 OE1 GLN A 10 15.530 -15.571 -30.189 1.00 0.00 O ATOM 159 NE2 GLN A 10 16.278 -15.995 -32.263 1.00 0.00 N ATOM 0 H GLN A 10 19.592 -18.574 -28.296 1.00 0.00 H new ATOM 0 HA GLN A 10 20.100 -17.787 -30.307 1.00 0.00 H new ATOM 0 HB2 GLN A 10 18.510 -15.350 -29.418 1.00 0.00 H new ATOM 0 HB3 GLN A 10 19.033 -15.648 -31.063 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.702 -17.755 -31.089 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.157 -17.419 -29.458 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.972 -16.459 -32.849 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.536 -15.442 -32.692 1.00 0.00 H new ATOM 168 N GLU A 11 21.463 -15.395 -30.610 1.00 0.00 N ATOM 169 CA GLU A 11 22.632 -14.524 -30.653 1.00 0.00 C ATOM 170 C GLU A 11 22.268 -13.103 -30.233 1.00 0.00 C ATOM 171 O GLU A 11 22.939 -12.504 -29.393 1.00 0.00 O ATOM 172 CB GLU A 11 23.239 -14.513 -32.057 1.00 0.00 C ATOM 173 CG GLU A 11 23.710 -15.880 -32.529 1.00 0.00 C ATOM 174 CD GLU A 11 24.322 -15.838 -33.916 1.00 0.00 C ATOM 175 OE1 GLU A 11 23.567 -15.960 -34.902 1.00 0.00 O ATOM 176 OE2 GLU A 11 25.558 -15.681 -34.016 1.00 0.00 O ATOM 0 H GLU A 11 20.916 -15.411 -31.471 1.00 0.00 H new ATOM 0 HA GLU A 11 23.369 -14.915 -29.951 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.499 -14.130 -32.760 1.00 0.00 H new ATOM 0 HB3 GLU A 11 24.082 -13.822 -32.074 1.00 0.00 H new ATOM 0 HG2 GLU A 11 24.443 -16.271 -31.824 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.867 -16.571 -32.528 1.00 0.00 H new ATOM 183 N ASN A 12 21.202 -12.569 -30.823 1.00 0.00 N ATOM 184 CA ASN A 12 20.752 -11.218 -30.508 1.00 0.00 C ATOM 185 C ASN A 12 19.560 -11.247 -29.557 1.00 0.00 C ATOM 186 O ASN A 12 18.685 -12.105 -29.668 1.00 0.00 O ATOM 187 CB ASN A 12 20.381 -10.466 -31.786 1.00 0.00 C ATOM 188 CG ASN A 12 19.296 -11.169 -32.578 1.00 0.00 C ATOM 189 OD1 ASN A 12 19.581 -12.001 -33.440 1.00 0.00 O ATOM 190 ND2 ASN A 12 18.042 -10.835 -32.292 1.00 0.00 N ATOM 0 H ASN A 12 20.635 -13.051 -31.521 1.00 0.00 H new ATOM 0 HA ASN A 12 21.574 -10.697 -30.016 1.00 0.00 H new ATOM 0 HB2 ASN A 12 20.046 -9.461 -31.528 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.268 -10.356 -32.410 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.270 -11.273 -32.795 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.851 -10.140 -31.570 1.00 0.00 H new ATOM 197 N HIS A 13 19.533 -10.301 -28.623 1.00 0.00 N ATOM 198 CA HIS A 13 18.451 -10.214 -27.650 1.00 0.00 C ATOM 199 C HIS A 13 18.335 -8.799 -27.093 1.00 0.00 C ATOM 200 O HIS A 13 19.308 -8.044 -27.085 1.00 0.00 O ATOM 201 CB HIS A 13 18.682 -11.208 -26.511 1.00 0.00 C ATOM 202 CG HIS A 13 19.978 -11.000 -25.788 1.00 0.00 C ATOM 203 ND1 HIS A 13 21.171 -11.552 -26.207 1.00 0.00 N ATOM 204 CD2 HIS A 13 20.264 -10.294 -24.668 1.00 0.00 C ATOM 205 CE1 HIS A 13 22.135 -11.196 -25.376 1.00 0.00 C ATOM 206 NE2 HIS A 13 21.611 -10.432 -24.435 1.00 0.00 N ATOM 0 H HIS A 13 20.250 -9.583 -28.520 1.00 0.00 H new ATOM 0 HA HIS A 13 17.518 -10.463 -28.155 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.861 -11.129 -25.798 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.658 -12.221 -26.913 1.00 0.00 H new ATOM 0 HD2 HIS A 13 19.564 -9.729 -24.070 1.00 0.00 H new ATOM 0 HE1 HIS A 13 23.174 -11.481 -25.453 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.124 -10.012 -23.660 1.00 0.00 H new ATOM 215 N ALA A 14 17.141 -8.446 -26.627 1.00 0.00 N ATOM 216 CA ALA A 14 16.901 -7.122 -26.069 1.00 0.00 C ATOM 217 C ALA A 14 15.765 -7.150 -25.050 1.00 0.00 C ATOM 218 O ALA A 14 14.591 -7.201 -25.417 1.00 0.00 O ATOM 219 CB ALA A 14 16.592 -6.128 -27.180 1.00 0.00 C ATOM 0 H ALA A 14 16.326 -9.059 -26.625 1.00 0.00 H new ATOM 0 HA ALA A 14 17.807 -6.804 -25.553 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.415 -5.143 -26.748 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.436 -6.076 -27.867 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.703 -6.452 -27.721 1.00 0.00 H new ATOM 225 N GLU A 15 16.125 -7.120 -23.771 1.00 0.00 N ATOM 226 CA GLU A 15 15.141 -7.140 -22.695 1.00 0.00 C ATOM 227 C GLU A 15 15.241 -5.875 -21.850 1.00 0.00 C ATOM 228 O GLU A 15 16.309 -5.547 -21.333 1.00 0.00 O ATOM 229 CB GLU A 15 15.340 -8.372 -21.807 1.00 0.00 C ATOM 230 CG GLU A 15 15.017 -9.688 -22.498 1.00 0.00 C ATOM 231 CD GLU A 15 16.014 -10.044 -23.584 1.00 0.00 C ATOM 232 OE1 GLU A 15 17.187 -10.310 -23.249 1.00 0.00 O ATOM 233 OE2 GLU A 15 15.620 -10.059 -24.769 1.00 0.00 O ATOM 0 H GLU A 15 17.094 -7.082 -23.454 1.00 0.00 H new ATOM 0 HA GLU A 15 14.150 -7.185 -23.146 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.374 -8.397 -21.464 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.713 -8.274 -20.921 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.995 -10.486 -21.756 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.019 -9.629 -22.933 1.00 0.00 H new ATOM 240 N CYS A 16 14.125 -5.166 -21.714 1.00 0.00 N ATOM 241 CA CYS A 16 14.095 -3.935 -20.932 1.00 0.00 C ATOM 242 C CYS A 16 13.444 -4.167 -19.570 1.00 0.00 C ATOM 243 O CYS A 16 12.433 -4.862 -19.463 1.00 0.00 O ATOM 244 CB CYS A 16 13.342 -2.841 -21.691 1.00 0.00 C ATOM 245 SG CYS A 16 13.279 -1.253 -20.829 1.00 0.00 S ATOM 0 H CYS A 16 13.231 -5.422 -22.134 1.00 0.00 H new ATOM 0 HA CYS A 16 15.124 -3.613 -20.771 1.00 0.00 H new ATOM 0 HB2 CYS A 16 13.815 -2.696 -22.662 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.323 -3.180 -21.880 1.00 0.00 H new ATOM 0 HG CYS A 16 12.624 -0.393 -21.551 1.00 0.00 H new ATOM 251 N GLU A 17 14.032 -3.579 -18.531 1.00 0.00 N ATOM 252 CA GLU A 17 13.512 -3.716 -17.174 1.00 0.00 C ATOM 253 C GLU A 17 13.260 -2.347 -16.550 1.00 0.00 C ATOM 254 O GLU A 17 14.102 -1.453 -16.632 1.00 0.00 O ATOM 255 CB GLU A 17 14.495 -4.511 -16.309 1.00 0.00 C ATOM 256 CG GLU A 17 14.021 -4.723 -14.880 1.00 0.00 C ATOM 257 CD GLU A 17 12.806 -5.625 -14.795 1.00 0.00 C ATOM 258 OE1 GLU A 17 11.673 -5.105 -14.873 1.00 0.00 O ATOM 259 OE2 GLU A 17 12.986 -6.852 -14.649 1.00 0.00 O ATOM 0 H GLU A 17 14.870 -3.002 -18.604 1.00 0.00 H new ATOM 0 HA GLU A 17 12.565 -4.253 -17.224 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.669 -5.482 -16.772 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.452 -3.990 -16.291 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.831 -5.155 -14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.784 -3.758 -14.433 1.00 0.00 H new ATOM 266 N ASP A 18 12.096 -2.190 -15.927 1.00 0.00 N ATOM 267 CA ASP A 18 11.732 -0.930 -15.288 1.00 0.00 C ATOM 268 C ASP A 18 11.202 -1.166 -13.877 1.00 0.00 C ATOM 269 O ASP A 18 10.356 -2.034 -13.658 1.00 0.00 O ATOM 270 CB ASP A 18 10.683 -0.194 -16.123 1.00 0.00 C ATOM 271 CG ASP A 18 9.430 -1.020 -16.335 1.00 0.00 C ATOM 272 OD1 ASP A 18 8.508 -0.927 -15.497 1.00 0.00 O ATOM 273 OD2 ASP A 18 9.370 -1.762 -17.338 1.00 0.00 O ATOM 0 H ASP A 18 11.388 -2.920 -15.851 1.00 0.00 H new ATOM 0 HA ASP A 18 12.629 -0.315 -15.220 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.419 0.741 -15.628 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.111 0.067 -17.091 1.00 0.00 H new ATOM 278 N LYS A 19 11.706 -0.387 -12.925 1.00 0.00 N ATOM 279 CA LYS A 19 11.286 -0.506 -11.533 1.00 0.00 C ATOM 280 C LYS A 19 11.231 0.869 -10.863 1.00 0.00 C ATOM 281 O LYS A 19 12.244 1.360 -10.364 1.00 0.00 O ATOM 282 CB LYS A 19 12.244 -1.423 -10.768 1.00 0.00 C ATOM 283 CG LYS A 19 11.877 -1.608 -9.302 1.00 0.00 C ATOM 284 CD LYS A 19 12.822 -2.575 -8.604 1.00 0.00 C ATOM 285 CE LYS A 19 12.657 -3.996 -9.122 1.00 0.00 C ATOM 286 NZ LYS A 19 11.296 -4.535 -8.844 1.00 0.00 N ATOM 0 H LYS A 19 12.407 0.335 -13.093 1.00 0.00 H new ATOM 0 HA LYS A 19 10.286 -0.940 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.264 -2.399 -11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.252 -1.014 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.904 -0.643 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.855 -1.979 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.852 -2.250 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.635 -2.555 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.842 -4.015 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.404 -4.640 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.302 -5.569 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.020 -4.296 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.614 -4.117 -9.509 1.00 0.00 H new ATOM 300 N PRO A 20 10.048 1.514 -10.849 1.00 0.00 N ATOM 301 CA PRO A 20 9.879 2.838 -10.238 1.00 0.00 C ATOM 302 C PRO A 20 9.955 2.786 -8.715 1.00 0.00 C ATOM 303 O PRO A 20 10.034 1.709 -8.125 1.00 0.00 O ATOM 304 CB PRO A 20 8.479 3.262 -10.688 1.00 0.00 C ATOM 305 CG PRO A 20 7.755 1.981 -10.920 1.00 0.00 C ATOM 306 CD PRO A 20 8.786 1.009 -11.425 1.00 0.00 C ATOM 0 HA PRO A 20 10.666 3.529 -10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.984 3.865 -9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.520 3.864 -11.596 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.296 1.620 -10.000 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.953 2.112 -11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.574 -0.008 -11.096 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.821 0.991 -12.514 1.00 0.00 H new ATOM 314 N LYS A 21 9.931 3.957 -8.085 1.00 0.00 N ATOM 315 CA LYS A 21 9.994 4.042 -6.630 1.00 0.00 C ATOM 316 C LYS A 21 8.899 4.962 -6.088 1.00 0.00 C ATOM 317 O LYS A 21 9.143 6.139 -5.823 1.00 0.00 O ATOM 318 CB LYS A 21 11.369 4.548 -6.184 1.00 0.00 C ATOM 319 CG LYS A 21 11.560 4.544 -4.674 1.00 0.00 C ATOM 320 CD LYS A 21 12.927 5.079 -4.275 1.00 0.00 C ATOM 321 CE LYS A 21 13.069 6.559 -4.601 1.00 0.00 C ATOM 322 NZ LYS A 21 14.358 7.115 -4.103 1.00 0.00 N ATOM 0 H LYS A 21 9.869 4.858 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 21 9.835 3.042 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.141 3.928 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.512 5.562 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.783 5.150 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.443 3.529 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.080 4.925 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.704 4.516 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.005 6.701 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.240 7.110 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.417 8.125 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.409 7.002 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.150 6.606 -4.546 1.00 0.00 H new ATOM 336 N PRO A 22 7.670 4.437 -5.927 1.00 0.00 N ATOM 337 CA PRO A 22 6.542 5.215 -5.413 1.00 0.00 C ATOM 338 C PRO A 22 6.603 5.397 -3.899 1.00 0.00 C ATOM 339 O PRO A 22 7.160 4.562 -3.186 1.00 0.00 O ATOM 340 CB PRO A 22 5.332 4.368 -5.802 1.00 0.00 C ATOM 341 CG PRO A 22 5.843 2.968 -5.802 1.00 0.00 C ATOM 342 CD PRO A 22 7.281 3.047 -6.242 1.00 0.00 C ATOM 0 HA PRO A 22 6.523 6.227 -5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.515 4.493 -5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.948 4.651 -6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.763 2.524 -4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.262 2.341 -6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.902 2.327 -5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.386 2.833 -7.306 1.00 0.00 H new ATOM 350 N CYS A 23 6.029 6.495 -3.416 1.00 0.00 N ATOM 351 CA CYS A 23 6.016 6.784 -1.986 1.00 0.00 C ATOM 352 C CYS A 23 4.952 5.953 -1.276 1.00 0.00 C ATOM 353 O CYS A 23 5.269 5.083 -0.464 1.00 0.00 O ATOM 354 CB CYS A 23 5.760 8.274 -1.747 1.00 0.00 C ATOM 355 SG CYS A 23 6.996 9.364 -2.489 1.00 0.00 S ATOM 0 H CYS A 23 5.567 7.198 -3.993 1.00 0.00 H new ATOM 0 HA CYS A 23 6.992 6.521 -1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.779 8.531 -2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.727 8.458 -0.673 1.00 0.00 H new ATOM 0 HG CYS A 23 6.692 10.602 -2.234 1.00 0.00 H new ATOM 361 N CYS A 24 3.690 6.226 -1.590 1.00 0.00 N ATOM 362 CA CYS A 24 2.575 5.501 -0.989 1.00 0.00 C ATOM 363 C CYS A 24 1.597 5.033 -2.060 1.00 0.00 C ATOM 364 O CYS A 24 1.591 3.860 -2.435 1.00 0.00 O ATOM 365 CB CYS A 24 1.852 6.385 0.030 1.00 0.00 C ATOM 366 SG CYS A 24 2.905 6.968 1.379 1.00 0.00 S ATOM 0 H CYS A 24 3.413 6.945 -2.258 1.00 0.00 H new ATOM 0 HA CYS A 24 2.975 4.626 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.431 7.247 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.016 5.827 0.451 1.00 0.00 H new ATOM 0 HG CYS A 24 2.205 7.708 2.187 1.00 0.00 H new ATOM 372 N VAL A 25 0.773 5.960 -2.547 1.00 0.00 N ATOM 373 CA VAL A 25 -0.213 5.655 -3.582 1.00 0.00 C ATOM 374 C VAL A 25 -1.246 4.646 -3.082 1.00 0.00 C ATOM 375 O VAL A 25 -0.973 3.858 -2.177 1.00 0.00 O ATOM 376 CB VAL A 25 0.455 5.107 -4.861 1.00 0.00 C ATOM 377 CG1 VAL A 25 -0.533 5.077 -6.016 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.678 5.936 -5.224 1.00 0.00 C ATOM 0 H VAL A 25 0.769 6.933 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.714 6.593 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 25 0.779 4.085 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.040 4.687 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.375 4.435 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.893 6.087 -6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.135 5.534 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.379 6.970 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.398 5.899 -4.407 1.00 0.00 H new ATOM 388 N CYS A 26 -2.435 4.681 -3.674 1.00 0.00 N ATOM 389 CA CYS A 26 -3.507 3.771 -3.286 1.00 0.00 C ATOM 390 C CYS A 26 -3.960 2.926 -4.472 1.00 0.00 C ATOM 391 O CYS A 26 -5.077 2.407 -4.487 1.00 0.00 O ATOM 392 CB CYS A 26 -4.691 4.558 -2.724 1.00 0.00 C ATOM 393 SG CYS A 26 -5.430 5.719 -3.897 1.00 0.00 S ATOM 0 H CYS A 26 -2.681 5.328 -4.423 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.123 3.104 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.456 3.856 -2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.362 5.109 -1.843 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.052 6.657 -3.246 1.00 0.00 H new ATOM 399 N LYS A 27 -3.083 2.784 -5.462 1.00 0.00 N ATOM 400 CA LYS A 27 -3.393 2.000 -6.652 1.00 0.00 C ATOM 401 C LYS A 27 -3.692 0.539 -6.292 1.00 0.00 C ATOM 402 O LYS A 27 -4.726 0.004 -6.691 1.00 0.00 O ATOM 403 CB LYS A 27 -2.246 2.081 -7.666 1.00 0.00 C ATOM 404 CG LYS A 27 -2.499 1.308 -8.954 1.00 0.00 C ATOM 405 CD LYS A 27 -3.177 2.169 -10.010 1.00 0.00 C ATOM 406 CE LYS A 27 -4.648 2.391 -9.700 1.00 0.00 C ATOM 407 NZ LYS A 27 -5.377 1.104 -9.527 1.00 0.00 N ATOM 0 H LYS A 27 -2.152 3.202 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.288 2.423 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.066 3.127 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.336 1.702 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.553 0.933 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.122 0.439 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.670 3.132 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.079 1.692 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.742 2.987 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.107 2.963 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.393 1.256 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.018 0.407 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.229 0.749 -8.561 1.00 0.00 H new ATOM 421 N PRO A 28 -2.797 -0.134 -5.533 1.00 0.00 N ATOM 422 CA PRO A 28 -3.002 -1.530 -5.138 1.00 0.00 C ATOM 423 C PRO A 28 -3.985 -1.666 -3.978 1.00 0.00 C ATOM 424 O PRO A 28 -4.647 -2.693 -3.832 1.00 0.00 O ATOM 425 CB PRO A 28 -1.606 -1.974 -4.712 1.00 0.00 C ATOM 426 CG PRO A 28 -0.980 -0.738 -4.172 1.00 0.00 C ATOM 427 CD PRO A 28 -1.525 0.400 -4.996 1.00 0.00 C ATOM 0 HA PRO A 28 -3.431 -2.128 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.651 -2.760 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.040 -2.372 -5.554 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.223 -0.607 -3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.106 -0.787 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.689 1.291 -4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.839 0.680 -5.795 1.00 0.00 H new ATOM 435 N GLU A 29 -4.073 -0.621 -3.161 1.00 0.00 N ATOM 436 CA GLU A 29 -4.966 -0.614 -2.011 1.00 0.00 C ATOM 437 C GLU A 29 -6.420 -0.818 -2.429 1.00 0.00 C ATOM 438 O GLU A 29 -7.157 -1.566 -1.787 1.00 0.00 O ATOM 439 CB GLU A 29 -4.822 0.706 -1.256 1.00 0.00 C ATOM 440 CG GLU A 29 -3.686 0.711 -0.247 1.00 0.00 C ATOM 441 CD GLU A 29 -2.341 0.402 -0.876 1.00 0.00 C ATOM 442 OE1 GLU A 29 -1.693 1.340 -1.384 1.00 0.00 O ATOM 443 OE2 GLU A 29 -1.937 -0.780 -0.860 1.00 0.00 O ATOM 0 H GLU A 29 -3.532 0.236 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.686 -1.443 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.662 1.510 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.757 0.923 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.640 1.687 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.895 -0.022 0.532 1.00 0.00 H new ATOM 450 N LYS A 30 -6.827 -0.147 -3.501 1.00 0.00 N ATOM 451 CA LYS A 30 -8.198 -0.257 -3.994 1.00 0.00 C ATOM 452 C LYS A 30 -8.518 -1.692 -4.396 1.00 0.00 C ATOM 453 O LYS A 30 -9.550 -2.240 -4.008 1.00 0.00 O ATOM 454 CB LYS A 30 -8.415 0.681 -5.184 1.00 0.00 C ATOM 455 CG LYS A 30 -9.846 0.689 -5.700 1.00 0.00 C ATOM 456 CD LYS A 30 -9.996 1.587 -6.916 1.00 0.00 C ATOM 457 CE LYS A 30 -11.433 1.616 -7.414 1.00 0.00 C ATOM 458 NZ LYS A 30 -12.366 2.158 -6.388 1.00 0.00 N ATOM 0 H LYS A 30 -6.231 0.477 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.871 0.034 -3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.137 1.694 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.747 0.387 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.146 -0.327 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.516 1.029 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.677 2.598 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.341 1.235 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.492 2.225 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.742 0.608 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.279 2.383 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.511 1.449 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.961 3.021 -5.972 1.00 0.00 H new ATOM 472 N GLU A 31 -7.627 -2.296 -5.176 1.00 0.00 N ATOM 473 CA GLU A 31 -7.812 -3.669 -5.633 1.00 0.00 C ATOM 474 C GLU A 31 -7.914 -4.632 -4.455 1.00 0.00 C ATOM 475 O GLU A 31 -8.737 -5.548 -4.462 1.00 0.00 O ATOM 476 CB GLU A 31 -6.657 -4.084 -6.547 1.00 0.00 C ATOM 477 CG GLU A 31 -6.520 -3.217 -7.789 1.00 0.00 C ATOM 478 CD GLU A 31 -7.778 -3.203 -8.635 1.00 0.00 C ATOM 479 OE1 GLU A 31 -7.908 -4.076 -9.520 1.00 0.00 O ATOM 480 OE2 GLU A 31 -8.633 -2.320 -8.415 1.00 0.00 O ATOM 0 H GLU A 31 -6.768 -1.855 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.746 -3.713 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.726 -4.044 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.801 -5.121 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.277 -2.197 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.687 -3.580 -8.390 1.00 0.00 H new ATOM 487 N GLU A 32 -7.073 -4.424 -3.445 1.00 0.00 N ATOM 488 CA GLU A 32 -7.073 -5.277 -2.260 1.00 0.00 C ATOM 489 C GLU A 32 -8.402 -5.175 -1.519 1.00 0.00 C ATOM 490 O GLU A 32 -8.948 -6.180 -1.064 1.00 0.00 O ATOM 491 CB GLU A 32 -5.923 -4.895 -1.328 1.00 0.00 C ATOM 492 CG GLU A 32 -4.547 -5.172 -1.914 1.00 0.00 C ATOM 493 CD GLU A 32 -4.300 -6.649 -2.148 1.00 0.00 C ATOM 494 OE1 GLU A 32 -4.687 -7.154 -3.224 1.00 0.00 O ATOM 495 OE2 GLU A 32 -3.719 -7.302 -1.256 1.00 0.00 O ATOM 0 H GLU A 32 -6.383 -3.673 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.937 -6.308 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.999 -3.835 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.027 -5.444 -0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.443 -4.636 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.784 -4.782 -1.240 1.00 0.00 H new ATOM 502 N ARG A 33 -8.916 -3.955 -1.402 1.00 0.00 N ATOM 503 CA ARG A 33 -10.185 -3.719 -0.723 1.00 0.00 C ATOM 504 C ARG A 33 -11.311 -4.485 -1.414 1.00 0.00 C ATOM 505 O ARG A 33 -12.084 -5.197 -0.770 1.00 0.00 O ATOM 506 CB ARG A 33 -10.504 -2.220 -0.706 1.00 0.00 C ATOM 507 CG ARG A 33 -11.617 -1.841 0.258 1.00 0.00 C ATOM 508 CD ARG A 33 -12.147 -0.445 -0.025 1.00 0.00 C ATOM 509 NE ARG A 33 -12.766 -0.353 -1.344 1.00 0.00 N ATOM 510 CZ ARG A 33 -13.340 0.749 -1.817 1.00 0.00 C ATOM 511 NH1 ARG A 33 -13.371 1.855 -1.084 1.00 0.00 N ATOM 512 NH2 ARG A 33 -13.883 0.746 -3.026 1.00 0.00 N ATOM 0 H ARG A 33 -8.472 -3.113 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.100 -4.075 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.602 -1.669 -0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.784 -1.906 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.430 -2.563 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.246 -1.890 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.876 -0.172 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.330 0.274 0.043 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.758 -1.183 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.953 1.862 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.812 2.698 -1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.860 -0.102 -3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.324 1.591 -3.389 1.00 0.00 H new ATOM 526 N ASP A 34 -11.387 -4.338 -2.734 1.00 0.00 N ATOM 527 CA ASP A 34 -12.411 -5.010 -3.528 1.00 0.00 C ATOM 528 C ASP A 34 -12.240 -6.523 -3.478 1.00 0.00 C ATOM 529 O ASP A 34 -13.221 -7.266 -3.446 1.00 0.00 O ATOM 530 CB ASP A 34 -12.357 -4.527 -4.979 1.00 0.00 C ATOM 531 CG ASP A 34 -12.840 -3.098 -5.132 1.00 0.00 C ATOM 532 OD1 ASP A 34 -14.058 -2.899 -5.319 1.00 0.00 O ATOM 533 OD2 ASP A 34 -11.998 -2.177 -5.066 1.00 0.00 O ATOM 0 H ASP A 34 -10.749 -3.757 -3.278 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.383 -4.761 -3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.334 -4.603 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.968 -5.182 -5.600 1.00 0.00 H new ATOM 538 N THR A 35 -10.990 -6.977 -3.470 1.00 0.00 N ATOM 539 CA THR A 35 -10.697 -8.404 -3.425 1.00 0.00 C ATOM 540 C THR A 35 -11.178 -9.017 -2.117 1.00 0.00 C ATOM 541 O THR A 35 -11.643 -10.152 -2.090 1.00 0.00 O ATOM 542 CB THR A 35 -9.190 -8.683 -3.585 1.00 0.00 C ATOM 543 OG1 THR A 35 -8.734 -8.198 -4.853 1.00 0.00 O ATOM 544 CG2 THR A 35 -8.896 -10.173 -3.473 1.00 0.00 C ATOM 0 H THR A 35 -10.165 -6.377 -3.494 1.00 0.00 H new ATOM 0 HA THR A 35 -11.229 -8.860 -4.260 1.00 0.00 H new ATOM 0 HB THR A 35 -8.663 -8.164 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.406 -7.280 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.826 -10.342 -3.590 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.216 -10.535 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.435 -10.710 -4.253 1.00 0.00 H new ATOM 552 N CYS A 36 -11.064 -8.257 -1.034 1.00 0.00 N ATOM 553 CA CYS A 36 -11.489 -8.733 0.276 1.00 0.00 C ATOM 554 C CYS A 36 -13.009 -8.829 0.354 1.00 0.00 C ATOM 555 O CYS A 36 -13.554 -9.844 0.788 1.00 0.00 O ATOM 556 CB CYS A 36 -10.969 -7.802 1.372 1.00 0.00 C ATOM 557 SG CYS A 36 -11.413 -8.320 3.047 1.00 0.00 S ATOM 0 H CYS A 36 -10.682 -7.311 -1.037 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.072 -9.729 0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.883 -7.740 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.358 -6.799 1.198 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.609 -7.761 3.902 1.00 0.00 H new ATOM 563 N ILE A 37 -13.687 -7.769 -0.074 1.00 0.00 N ATOM 564 CA ILE A 37 -15.146 -7.728 -0.044 1.00 0.00 C ATOM 565 C ILE A 37 -15.762 -8.771 -0.976 1.00 0.00 C ATOM 566 O ILE A 37 -16.849 -9.285 -0.711 1.00 0.00 O ATOM 567 CB ILE A 37 -15.671 -6.332 -0.435 1.00 0.00 C ATOM 568 CG1 ILE A 37 -15.094 -5.268 0.501 1.00 0.00 C ATOM 569 CG2 ILE A 37 -17.194 -6.305 -0.398 1.00 0.00 C ATOM 570 CD1 ILE A 37 -15.376 -3.849 0.056 1.00 0.00 C ATOM 0 H ILE A 37 -13.250 -6.926 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.442 -7.954 0.980 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.348 -6.112 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -15.504 -5.414 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.016 -5.409 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.547 -5.312 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.588 -7.040 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.538 -6.543 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -14.937 -3.150 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.941 -3.684 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.453 -3.690 0.009 1.00 0.00 H new ATOM 582 N LEU A 38 -15.064 -9.086 -2.063 1.00 0.00 N ATOM 583 CA LEU A 38 -15.560 -10.059 -3.033 1.00 0.00 C ATOM 584 C LEU A 38 -15.219 -11.488 -2.611 1.00 0.00 C ATOM 585 O LEU A 38 -16.104 -12.337 -2.495 1.00 0.00 O ATOM 586 CB LEU A 38 -14.972 -9.763 -4.419 1.00 0.00 C ATOM 587 CG LEU A 38 -15.787 -10.271 -5.616 1.00 0.00 C ATOM 588 CD1 LEU A 38 -15.804 -11.791 -5.659 1.00 0.00 C ATOM 589 CD2 LEU A 38 -17.207 -9.722 -5.573 1.00 0.00 C ATOM 0 H LEU A 38 -14.156 -8.684 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.646 -9.972 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.851 -8.684 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.975 -10.201 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.306 -9.912 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.388 -12.124 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.784 -12.164 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.252 -12.176 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.767 -10.095 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.694 -10.045 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.177 -8.633 -5.605 1.00 0.00 H new ATOM 601 N PHE A 39 -13.935 -11.743 -2.383 1.00 0.00 N ATOM 602 CA PHE A 39 -13.471 -13.068 -1.983 1.00 0.00 C ATOM 603 C PHE A 39 -14.199 -13.557 -0.733 1.00 0.00 C ATOM 604 O PHE A 39 -14.502 -14.743 -0.607 1.00 0.00 O ATOM 605 CB PHE A 39 -11.958 -13.045 -1.740 1.00 0.00 C ATOM 606 CG PHE A 39 -11.379 -14.372 -1.328 1.00 0.00 C ATOM 607 CD1 PHE A 39 -11.703 -15.534 -2.012 1.00 0.00 C ATOM 608 CD2 PHE A 39 -10.508 -14.453 -0.255 1.00 0.00 C ATOM 609 CE1 PHE A 39 -11.168 -16.751 -1.633 1.00 0.00 C ATOM 610 CE2 PHE A 39 -9.970 -15.667 0.130 1.00 0.00 C ATOM 611 CZ PHE A 39 -10.301 -16.818 -0.560 1.00 0.00 C ATOM 0 H PHE A 39 -13.194 -11.047 -2.469 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.693 -13.762 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.460 -12.711 -2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.737 -12.309 -0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.382 -15.488 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.246 -13.557 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.428 -17.648 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.292 -15.716 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.883 -17.768 -0.261 1.00 0.00 H new ATOM 621 N ASN A 40 -14.476 -12.639 0.189 1.00 0.00 N ATOM 622 CA ASN A 40 -15.173 -12.988 1.423 1.00 0.00 C ATOM 623 C ASN A 40 -16.682 -13.008 1.204 1.00 0.00 C ATOM 624 O ASN A 40 -17.338 -14.028 1.424 1.00 0.00 O ATOM 625 CB ASN A 40 -14.820 -12.001 2.539 1.00 0.00 C ATOM 626 CG ASN A 40 -13.400 -12.172 3.049 1.00 0.00 C ATOM 627 OD1 ASN A 40 -12.501 -12.620 2.179 1.00 0.00 O flip ATOM 628 ND2 ASN A 40 -13.113 -11.902 4.216 1.00 0.00 N flip ATOM 0 H ASN A 40 -14.230 -11.653 0.106 1.00 0.00 H new ATOM 0 HA ASN A 40 -14.850 -13.986 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -14.949 -10.983 2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.517 -12.132 3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.833 -11.560 4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.155 -12.020 4.546 1.00 0.00 H new ATOM 635 N GLY A 41 -17.227 -11.876 0.769 1.00 0.00 N ATOM 636 CA GLY A 41 -18.655 -11.781 0.528 1.00 0.00 C ATOM 637 C GLY A 41 -19.355 -10.888 1.531 1.00 0.00 C ATOM 638 O GLY A 41 -20.477 -11.178 1.952 1.00 0.00 O ATOM 0 H GLY A 41 -16.704 -11.021 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.826 -11.396 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.094 -12.778 0.566 1.00 0.00 H new ATOM 642 N GLN A 42 -18.691 -9.799 1.917 1.00 0.00 N ATOM 643 CA GLN A 42 -19.249 -8.853 2.879 1.00 0.00 C ATOM 644 C GLN A 42 -19.571 -9.541 4.204 1.00 0.00 C ATOM 645 O GLN A 42 -19.321 -10.735 4.373 1.00 0.00 O ATOM 646 CB GLN A 42 -20.513 -8.204 2.313 1.00 0.00 C ATOM 647 CG GLN A 42 -20.273 -7.397 1.049 1.00 0.00 C ATOM 648 CD GLN A 42 -21.555 -6.834 0.470 1.00 0.00 C ATOM 649 OE1 GLN A 42 -22.203 -7.467 -0.364 1.00 0.00 O ATOM 650 NE2 GLN A 42 -21.931 -5.642 0.914 1.00 0.00 N ATOM 0 H GLN A 42 -17.762 -9.551 1.576 1.00 0.00 H new ATOM 0 HA GLN A 42 -18.500 -8.083 3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -21.247 -8.982 2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -20.947 -7.553 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -19.587 -6.579 1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -19.788 -8.029 0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -21.363 -5.153 1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -22.788 -5.214 0.564 1.00 0.00 H new ATOM 659 N ASP A 43 -20.123 -8.773 5.143 1.00 0.00 N ATOM 660 CA ASP A 43 -20.487 -9.300 6.455 1.00 0.00 C ATOM 661 C ASP A 43 -19.290 -9.951 7.148 1.00 0.00 C ATOM 662 O ASP A 43 -19.455 -10.746 8.074 1.00 0.00 O ATOM 663 CB ASP A 43 -21.628 -10.314 6.320 1.00 0.00 C ATOM 664 CG ASP A 43 -22.848 -9.724 5.641 1.00 0.00 C ATOM 665 OD1 ASP A 43 -22.928 -9.800 4.396 1.00 0.00 O ATOM 666 OD2 ASP A 43 -23.723 -9.187 6.352 1.00 0.00 O ATOM 0 H ASP A 43 -20.328 -7.782 5.018 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.819 -8.463 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -21.279 -11.175 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -21.906 -10.678 7.309 1.00 0.00 H new ATOM 671 N SER A 44 -18.088 -9.604 6.699 1.00 0.00 N ATOM 672 CA SER A 44 -16.866 -10.155 7.277 1.00 0.00 C ATOM 673 C SER A 44 -15.901 -9.044 7.679 1.00 0.00 C ATOM 674 O SER A 44 -15.028 -8.656 6.900 1.00 0.00 O ATOM 675 CB SER A 44 -16.189 -11.103 6.286 1.00 0.00 C ATOM 676 OG SER A 44 -15.881 -10.439 5.073 1.00 0.00 O ATOM 0 H SER A 44 -17.933 -8.944 5.937 1.00 0.00 H new ATOM 0 HA SER A 44 -17.139 -10.713 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.276 -11.503 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.844 -11.951 6.084 1.00 0.00 H new ATOM 0 HG SER A 44 -15.486 -9.564 5.270 1.00 0.00 H new ATOM 682 N GLU A 45 -16.069 -8.530 8.896 1.00 0.00 N ATOM 683 CA GLU A 45 -15.215 -7.460 9.408 1.00 0.00 C ATOM 684 C GLU A 45 -15.288 -6.223 8.516 1.00 0.00 C ATOM 685 O GLU A 45 -14.529 -5.272 8.702 1.00 0.00 O ATOM 686 CB GLU A 45 -13.765 -7.939 9.518 1.00 0.00 C ATOM 687 CG GLU A 45 -13.601 -9.191 10.364 1.00 0.00 C ATOM 688 CD GLU A 45 -12.154 -9.625 10.487 1.00 0.00 C ATOM 689 OE1 GLU A 45 -11.650 -10.284 9.553 1.00 0.00 O ATOM 690 OE2 GLU A 45 -11.524 -9.308 11.518 1.00 0.00 O ATOM 0 H GLU A 45 -16.791 -8.838 9.547 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.577 -7.190 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.378 -8.133 8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.158 -7.140 9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.008 -9.009 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.183 -10.001 9.925 1.00 0.00 H new ATOM 697 N LYS A 46 -16.213 -6.239 7.557 1.00 0.00 N ATOM 698 CA LYS A 46 -16.390 -5.124 6.634 1.00 0.00 C ATOM 699 C LYS A 46 -15.054 -4.651 6.063 1.00 0.00 C ATOM 700 O LYS A 46 -14.890 -3.471 5.756 1.00 0.00 O ATOM 701 CB LYS A 46 -17.094 -3.975 7.352 1.00 0.00 C ATOM 702 CG LYS A 46 -18.610 -4.103 7.375 1.00 0.00 C ATOM 703 CD LYS A 46 -19.204 -3.962 5.982 1.00 0.00 C ATOM 704 CE LYS A 46 -20.720 -4.072 6.009 1.00 0.00 C ATOM 705 NZ LYS A 46 -21.172 -5.385 6.545 1.00 0.00 N ATOM 0 H LYS A 46 -16.853 -7.017 7.401 1.00 0.00 H new ATOM 0 HA LYS A 46 -17.002 -5.465 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.728 -3.920 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.825 -3.037 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -18.888 -5.070 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -19.030 -3.340 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.915 -3.000 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.794 -4.734 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.131 -3.269 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -21.112 -3.937 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -22.172 -5.534 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.598 -6.146 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.062 -5.394 7.579 1.00 0.00 H new ATOM 719 N CYS A 47 -14.109 -5.584 5.919 1.00 0.00 N ATOM 720 CA CYS A 47 -12.780 -5.275 5.388 1.00 0.00 C ATOM 721 C CYS A 47 -12.246 -3.972 5.980 1.00 0.00 C ATOM 722 O CYS A 47 -11.574 -3.195 5.302 1.00 0.00 O ATOM 723 CB CYS A 47 -12.815 -5.191 3.857 1.00 0.00 C ATOM 724 SG CYS A 47 -13.670 -3.739 3.203 1.00 0.00 S ATOM 0 H CYS A 47 -14.242 -6.565 6.165 1.00 0.00 H new ATOM 0 HA CYS A 47 -12.107 -6.083 5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.791 -5.193 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -13.298 -6.087 3.468 1.00 0.00 H new ATOM 0 HG CYS A 47 -14.493 -3.280 4.098 1.00 0.00 H new ATOM 730 N LYS A 48 -12.547 -3.753 7.256 1.00 0.00 N ATOM 731 CA LYS A 48 -12.121 -2.548 7.962 1.00 0.00 C ATOM 732 C LYS A 48 -10.605 -2.377 7.917 1.00 0.00 C ATOM 733 O LYS A 48 -10.098 -1.258 7.978 1.00 0.00 O ATOM 734 CB LYS A 48 -12.596 -2.604 9.414 1.00 0.00 C ATOM 735 CG LYS A 48 -12.108 -3.832 10.167 1.00 0.00 C ATOM 736 CD LYS A 48 -12.900 -4.057 11.444 1.00 0.00 C ATOM 737 CE LYS A 48 -12.281 -5.152 12.297 1.00 0.00 C ATOM 738 NZ LYS A 48 -13.021 -5.345 13.575 1.00 0.00 N ATOM 0 H LYS A 48 -13.090 -4.401 7.827 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.569 -1.689 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.254 -1.709 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.686 -2.586 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.193 -4.710 9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.052 -3.715 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.943 -3.130 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.927 -4.325 11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.273 -6.087 11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.243 -4.901 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.568 -6.100 14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.007 -4.460 14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.005 -5.610 13.370 1.00 0.00 H new ATOM 752 N GLU A 49 -9.887 -3.487 7.811 1.00 0.00 N ATOM 753 CA GLU A 49 -8.431 -3.451 7.760 1.00 0.00 C ATOM 754 C GLU A 49 -7.947 -2.723 6.508 1.00 0.00 C ATOM 755 O GLU A 49 -7.119 -1.812 6.585 1.00 0.00 O ATOM 756 CB GLU A 49 -7.868 -4.875 7.793 1.00 0.00 C ATOM 757 CG GLU A 49 -6.349 -4.936 7.771 1.00 0.00 C ATOM 758 CD GLU A 49 -5.823 -6.354 7.874 1.00 0.00 C ATOM 759 OE1 GLU A 49 -5.727 -7.031 6.828 1.00 0.00 O ATOM 760 OE2 GLU A 49 -5.505 -6.788 9.001 1.00 0.00 O ATOM 0 H GLU A 49 -10.288 -4.423 7.759 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.072 -2.905 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.229 -5.378 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.257 -5.429 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.984 -4.483 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.953 -4.344 8.596 1.00 0.00 H new ATOM 767 N PHE A 50 -8.480 -3.121 5.357 1.00 0.00 N ATOM 768 CA PHE A 50 -8.101 -2.512 4.086 1.00 0.00 C ATOM 769 C PHE A 50 -8.644 -1.091 3.966 1.00 0.00 C ATOM 770 O PHE A 50 -7.973 -0.207 3.434 1.00 0.00 O ATOM 771 CB PHE A 50 -8.602 -3.366 2.920 1.00 0.00 C ATOM 772 CG PHE A 50 -7.984 -4.734 2.879 1.00 0.00 C ATOM 773 CD1 PHE A 50 -6.713 -4.917 2.359 1.00 0.00 C ATOM 774 CD2 PHE A 50 -8.671 -5.835 3.364 1.00 0.00 C ATOM 775 CE1 PHE A 50 -6.138 -6.174 2.323 1.00 0.00 C ATOM 776 CE2 PHE A 50 -8.102 -7.094 3.330 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.833 -7.263 2.809 1.00 0.00 C ATOM 0 H PHE A 50 -9.176 -3.863 5.278 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.013 -2.461 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.685 -3.466 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.390 -2.851 1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.165 -4.068 1.977 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.662 -5.708 3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.146 -6.304 1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.648 -7.945 3.710 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.386 -8.246 2.782 1.00 0.00 H new ATOM 787 N ILE A 51 -9.860 -0.876 4.460 1.00 0.00 N ATOM 788 CA ILE A 51 -10.480 0.444 4.407 1.00 0.00 C ATOM 789 C ILE A 51 -9.641 1.465 5.172 1.00 0.00 C ATOM 790 O ILE A 51 -9.234 2.490 4.620 1.00 0.00 O ATOM 791 CB ILE A 51 -11.911 0.421 4.986 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.809 -0.485 4.139 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.482 1.832 5.055 1.00 0.00 C ATOM 794 CD1 ILE A 51 -14.209 -0.646 4.693 1.00 0.00 C ATOM 0 H ILE A 51 -10.434 -1.596 4.900 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.535 0.733 3.357 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.872 0.020 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.872 -0.078 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -12.345 -1.468 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.491 1.796 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.851 2.449 5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.513 2.262 4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.786 -1.301 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.158 -1.082 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.693 0.329 4.748 1.00 0.00 H new ATOM 806 N GLU A 52 -9.388 1.179 6.446 1.00 0.00 N ATOM 807 CA GLU A 52 -8.589 2.065 7.280 1.00 0.00 C ATOM 808 C GLU A 52 -7.210 2.271 6.667 1.00 0.00 C ATOM 809 O GLU A 52 -6.696 3.391 6.629 1.00 0.00 O ATOM 810 CB GLU A 52 -8.455 1.495 8.695 1.00 0.00 C ATOM 811 CG GLU A 52 -9.772 1.424 9.451 1.00 0.00 C ATOM 812 CD GLU A 52 -10.400 2.788 9.659 1.00 0.00 C ATOM 813 OE1 GLU A 52 -10.024 3.471 10.634 1.00 0.00 O ATOM 814 OE2 GLU A 52 -11.268 3.172 8.848 1.00 0.00 O ATOM 0 H GLU A 52 -9.725 0.342 6.921 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.095 3.029 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.026 0.495 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.754 2.109 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.467 0.788 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.605 0.953 10.420 1.00 0.00 H new ATOM 821 N LYS A 53 -6.614 1.183 6.183 1.00 0.00 N ATOM 822 CA LYS A 53 -5.299 1.252 5.560 1.00 0.00 C ATOM 823 C LYS A 53 -5.339 2.151 4.328 1.00 0.00 C ATOM 824 O LYS A 53 -4.358 2.816 4.000 1.00 0.00 O ATOM 825 CB LYS A 53 -4.814 -0.144 5.179 1.00 0.00 C ATOM 826 CG LYS A 53 -3.487 -0.150 4.436 1.00 0.00 C ATOM 827 CD LYS A 53 -3.030 -1.563 4.112 1.00 0.00 C ATOM 828 CE LYS A 53 -1.667 -1.565 3.441 1.00 0.00 C ATOM 829 NZ LYS A 53 -1.204 -2.944 3.123 1.00 0.00 N ATOM 0 H LYS A 53 -7.021 0.248 6.211 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.600 1.678 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.716 -0.744 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.570 -0.624 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.584 0.422 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.729 0.348 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.987 -2.152 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.759 -2.042 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.713 -0.978 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.941 -1.080 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.271 -2.900 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.135 -3.498 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.883 -3.398 2.480 1.00 0.00 H new ATOM 843 N TYR A 54 -6.487 2.168 3.655 1.00 0.00 N ATOM 844 CA TYR A 54 -6.666 2.987 2.460 1.00 0.00 C ATOM 845 C TYR A 54 -6.607 4.469 2.813 1.00 0.00 C ATOM 846 O TYR A 54 -5.841 5.229 2.217 1.00 0.00 O ATOM 847 CB TYR A 54 -8.003 2.658 1.789 1.00 0.00 C ATOM 848 CG TYR A 54 -8.289 3.477 0.549 1.00 0.00 C ATOM 849 CD1 TYR A 54 -7.763 3.113 -0.684 1.00 0.00 C ATOM 850 CD2 TYR A 54 -9.091 4.610 0.612 1.00 0.00 C ATOM 851 CE1 TYR A 54 -8.026 3.856 -1.819 1.00 0.00 C ATOM 852 CE2 TYR A 54 -9.359 5.357 -0.519 1.00 0.00 C ATOM 853 CZ TYR A 54 -8.825 4.976 -1.731 1.00 0.00 C ATOM 854 OH TYR A 54 -9.090 5.716 -2.861 1.00 0.00 O ATOM 0 H TYR A 54 -7.308 1.623 3.918 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.857 2.764 1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.014 1.601 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.807 2.815 2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.138 2.235 -0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.511 4.911 1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.608 3.561 -2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.984 6.235 -0.454 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.556 6.538 -2.846 1.00 0.00 H new ATOM 864 N LYS A 55 -7.421 4.873 3.786 1.00 0.00 N ATOM 865 CA LYS A 55 -7.457 6.265 4.221 1.00 0.00 C ATOM 866 C LYS A 55 -6.075 6.735 4.663 1.00 0.00 C ATOM 867 O LYS A 55 -5.655 7.847 4.344 1.00 0.00 O ATOM 868 CB LYS A 55 -8.460 6.447 5.365 1.00 0.00 C ATOM 869 CG LYS A 55 -9.886 6.696 4.898 1.00 0.00 C ATOM 870 CD LYS A 55 -10.458 5.492 4.168 1.00 0.00 C ATOM 871 CE LYS A 55 -11.865 5.766 3.659 1.00 0.00 C ATOM 872 NZ LYS A 55 -12.415 4.611 2.897 1.00 0.00 N ATOM 0 H LYS A 55 -8.062 4.257 4.286 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.774 6.871 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.444 5.557 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.140 7.283 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.514 6.933 5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.907 7.564 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.811 5.232 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.473 4.632 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.519 5.989 4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.855 6.650 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.731 4.932 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.677 3.887 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.221 4.206 3.414 1.00 0.00 H new ATOM 886 N GLU A 56 -5.369 5.877 5.395 1.00 0.00 N ATOM 887 CA GLU A 56 -4.033 6.206 5.880 1.00 0.00 C ATOM 888 C GLU A 56 -3.049 6.340 4.720 1.00 0.00 C ATOM 889 O GLU A 56 -2.192 7.226 4.720 1.00 0.00 O ATOM 890 CB GLU A 56 -3.544 5.138 6.860 1.00 0.00 C ATOM 891 CG GLU A 56 -4.381 5.044 8.125 1.00 0.00 C ATOM 892 CD GLU A 56 -3.873 3.986 9.084 1.00 0.00 C ATOM 893 OE1 GLU A 56 -2.986 4.304 9.904 1.00 0.00 O ATOM 894 OE2 GLU A 56 -4.364 2.840 9.017 1.00 0.00 O ATOM 0 H GLU A 56 -5.700 4.951 5.665 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.088 7.164 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.547 4.169 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.511 5.353 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.384 6.012 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.414 4.820 7.857 1.00 0.00 H new ATOM 901 N CYS A 57 -3.177 5.455 3.735 1.00 0.00 N ATOM 902 CA CYS A 57 -2.300 5.476 2.570 1.00 0.00 C ATOM 903 C CYS A 57 -2.375 6.820 1.853 1.00 0.00 C ATOM 904 O CYS A 57 -1.354 7.469 1.627 1.00 0.00 O ATOM 905 CB CYS A 57 -2.665 4.348 1.603 1.00 0.00 C ATOM 906 SG CYS A 57 -2.103 2.712 2.130 1.00 0.00 S ATOM 0 H CYS A 57 -3.879 4.715 3.721 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.278 5.327 2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.748 4.326 1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.237 4.570 0.625 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.800 2.324 3.157 1.00 0.00 H new ATOM 912 N MET A 58 -3.588 7.234 1.499 1.00 0.00 N ATOM 913 CA MET A 58 -3.784 8.505 0.810 1.00 0.00 C ATOM 914 C MET A 58 -3.446 9.673 1.728 1.00 0.00 C ATOM 915 O MET A 58 -3.039 10.739 1.265 1.00 0.00 O ATOM 916 CB MET A 58 -5.224 8.631 0.310 1.00 0.00 C ATOM 917 CG MET A 58 -5.628 7.533 -0.659 1.00 0.00 C ATOM 918 SD MET A 58 -6.967 8.034 -1.757 1.00 0.00 S ATOM 919 CE MET A 58 -6.144 9.284 -2.744 1.00 0.00 C ATOM 0 H MET A 58 -4.446 6.711 1.677 1.00 0.00 H new ATOM 0 HA MET A 58 -3.112 8.530 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.900 8.616 1.165 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.348 9.598 -0.177 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.763 7.244 -1.256 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.936 6.652 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.609 9.335 -3.728 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.231 10.252 -2.251 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.091 9.026 -2.854 1.00 0.00 H new ATOM 929 N LYS A 59 -3.621 9.469 3.031 1.00 0.00 N ATOM 930 CA LYS A 59 -3.320 10.506 4.010 1.00 0.00 C ATOM 931 C LYS A 59 -1.850 10.898 3.923 1.00 0.00 C ATOM 932 O LYS A 59 -1.510 12.081 3.926 1.00 0.00 O ATOM 933 CB LYS A 59 -3.655 10.025 5.422 1.00 0.00 C ATOM 934 CG LYS A 59 -3.426 11.079 6.494 1.00 0.00 C ATOM 935 CD LYS A 59 -3.854 10.584 7.867 1.00 0.00 C ATOM 936 CE LYS A 59 -5.358 10.371 7.945 1.00 0.00 C ATOM 937 NZ LYS A 59 -6.112 11.636 7.725 1.00 0.00 N ATOM 0 H LYS A 59 -3.969 8.598 3.431 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.933 11.380 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.698 9.709 5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.050 9.148 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.371 11.351 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.983 11.982 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.342 9.649 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.549 11.305 8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.659 9.635 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.616 9.960 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.093 11.516 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.663 12.406 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.107 11.871 6.712 1.00 0.00 H new ATOM 951 N GLY A 60 -0.983 9.892 3.844 1.00 0.00 N ATOM 952 CA GLY A 60 0.441 10.146 3.743 1.00 0.00 C ATOM 953 C GLY A 60 0.847 10.540 2.336 1.00 0.00 C ATOM 954 O GLY A 60 1.906 11.133 2.128 1.00 0.00 O ATOM 0 H GLY A 60 -1.243 8.906 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.718 10.940 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.991 9.254 4.043 1.00 0.00 H new ATOM 958 N TYR A 61 -0.002 10.203 1.369 1.00 0.00 N ATOM 959 CA TYR A 61 0.253 10.524 -0.031 1.00 0.00 C ATOM 960 C TYR A 61 0.459 12.024 -0.211 1.00 0.00 C ATOM 961 O TYR A 61 1.490 12.466 -0.718 1.00 0.00 O ATOM 962 CB TYR A 61 -0.917 10.051 -0.898 1.00 0.00 C ATOM 963 CG TYR A 61 -0.683 10.198 -2.386 1.00 0.00 C ATOM 964 CD1 TYR A 61 -0.895 11.412 -3.029 1.00 0.00 C ATOM 965 CD2 TYR A 61 -0.255 9.119 -3.147 1.00 0.00 C ATOM 966 CE1 TYR A 61 -0.682 11.546 -4.388 1.00 0.00 C ATOM 967 CE2 TYR A 61 -0.040 9.246 -4.507 1.00 0.00 C ATOM 968 CZ TYR A 61 -0.256 10.460 -5.122 1.00 0.00 C ATOM 969 OH TYR A 61 -0.044 10.589 -6.475 1.00 0.00 O ATOM 0 H TYR A 61 -0.877 9.705 1.531 1.00 0.00 H new ATOM 0 HA TYR A 61 1.162 10.010 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.120 9.004 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.809 10.614 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.232 12.264 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.087 8.165 -2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.849 12.497 -4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.296 8.397 -5.085 1.00 0.00 H new ATOM 0 HH TYR A 61 0.255 9.731 -6.843 1.00 0.00 H new ATOM 979 N GLY A 62 -0.534 12.801 0.211 1.00 0.00 N ATOM 980 CA GLY A 62 -0.456 14.244 0.090 1.00 0.00 C ATOM 981 C GLY A 62 -1.810 14.872 -0.176 1.00 0.00 C ATOM 982 O GLY A 62 -1.894 15.994 -0.676 1.00 0.00 O ATOM 0 H GLY A 62 -1.394 12.454 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.038 14.661 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.227 14.502 -0.719 1.00 0.00 H new ATOM 986 N PHE A 63 -2.873 14.144 0.157 1.00 0.00 N ATOM 987 CA PHE A 63 -4.231 14.635 -0.050 1.00 0.00 C ATOM 988 C PHE A 63 -5.226 13.866 0.814 1.00 0.00 C ATOM 989 O PHE A 63 -5.211 12.635 0.851 1.00 0.00 O ATOM 990 CB PHE A 63 -4.616 14.512 -1.526 1.00 0.00 C ATOM 991 CG PHE A 63 -5.914 15.187 -1.872 1.00 0.00 C ATOM 992 CD1 PHE A 63 -6.015 16.569 -1.865 1.00 0.00 C ATOM 993 CD2 PHE A 63 -7.031 14.439 -2.209 1.00 0.00 C ATOM 994 CE1 PHE A 63 -7.207 17.192 -2.184 1.00 0.00 C ATOM 995 CE2 PHE A 63 -8.225 15.055 -2.529 1.00 0.00 C ATOM 996 CZ PHE A 63 -8.312 16.434 -2.517 1.00 0.00 C ATOM 0 H PHE A 63 -2.819 13.213 0.571 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.262 15.685 0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.821 14.940 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.685 13.456 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.153 17.166 -1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.967 13.361 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.274 18.270 -2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.089 14.460 -2.788 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.244 16.919 -2.768 1.00 0.00 H new ATOM 1006 N GLU A 64 -6.092 14.600 1.508 1.00 0.00 N ATOM 1007 CA GLU A 64 -7.096 13.987 2.372 1.00 0.00 C ATOM 1008 C GLU A 64 -8.133 13.233 1.546 1.00 0.00 C ATOM 1009 O GLU A 64 -7.980 13.077 0.335 1.00 0.00 O ATOM 1010 CB GLU A 64 -7.786 15.052 3.230 1.00 0.00 C ATOM 1011 CG GLU A 64 -6.863 15.726 4.234 1.00 0.00 C ATOM 1012 CD GLU A 64 -5.799 16.579 3.572 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -6.111 17.726 3.189 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -4.653 16.099 3.434 1.00 0.00 O ATOM 0 H GLU A 64 -6.118 15.619 1.489 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.590 13.278 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.212 15.812 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.616 14.591 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.455 16.348 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.382 14.964 4.847 1.00 0.00 H new ATOM 1021 N VAL A 65 -9.188 12.765 2.207 1.00 0.00 N ATOM 1022 CA VAL A 65 -10.246 12.029 1.528 1.00 0.00 C ATOM 1023 C VAL A 65 -11.583 12.776 1.609 1.00 0.00 C ATOM 1024 O VAL A 65 -12.450 12.444 2.418 1.00 0.00 O ATOM 1025 CB VAL A 65 -10.391 10.600 2.105 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -10.593 10.636 3.613 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -11.526 9.850 1.420 1.00 0.00 C ATOM 0 H VAL A 65 -9.332 12.883 3.210 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.964 11.948 0.478 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.464 10.063 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.692 9.619 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.735 11.116 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.497 11.199 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.608 8.849 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.462 10.387 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.322 9.777 0.352 1.00 0.00 H new ATOM 1037 N PRO A 66 -11.759 13.818 0.774 1.00 0.00 N ATOM 1038 CA PRO A 66 -12.989 14.607 0.746 1.00 0.00 C ATOM 1039 C PRO A 66 -14.069 13.954 -0.108 1.00 0.00 C ATOM 1040 O PRO A 66 -15.252 14.271 0.016 1.00 0.00 O ATOM 1041 CB PRO A 66 -12.531 15.920 0.119 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.436 15.526 -0.811 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.768 14.318 -0.202 1.00 0.00 C ATOM 0 HA PRO A 66 -13.438 14.719 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.346 16.412 -0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.177 16.619 0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.832 15.293 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.723 16.341 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.536 13.567 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.828 14.583 0.283 1.00 0.00 H new ATOM 1051 N SER A 67 -13.649 13.039 -0.975 1.00 0.00 N ATOM 1052 CA SER A 67 -14.570 12.334 -1.858 1.00 0.00 C ATOM 1053 C SER A 67 -15.590 11.534 -1.053 1.00 0.00 C ATOM 1054 O SER A 67 -15.272 10.995 0.007 1.00 0.00 O ATOM 1055 CB SER A 67 -13.797 11.403 -2.792 1.00 0.00 C ATOM 1056 OG SER A 67 -13.151 10.372 -2.064 1.00 0.00 O ATOM 0 H SER A 67 -12.672 12.768 -1.085 1.00 0.00 H new ATOM 0 HA SER A 67 -15.105 13.074 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.479 10.965 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.057 11.976 -3.351 1.00 0.00 H new ATOM 0 HG SER A 67 -12.665 9.789 -2.684 1.00 0.00 H new ATOM 1062 N ALA A 68 -16.816 11.461 -1.563 1.00 0.00 N ATOM 1063 CA ALA A 68 -17.880 10.727 -0.890 1.00 0.00 C ATOM 1064 C ALA A 68 -18.099 9.362 -1.537 1.00 0.00 C ATOM 1065 O ALA A 68 -18.044 8.332 -0.867 1.00 0.00 O ATOM 1066 CB ALA A 68 -19.170 11.534 -0.906 1.00 0.00 C ATOM 0 H ALA A 68 -17.096 11.901 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.578 10.566 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -19.956 10.974 -0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.012 12.482 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.467 11.725 -1.937 1.00 0.00 H new ATOM 1072 N ASN A 69 -18.349 9.365 -2.844 1.00 0.00 N ATOM 1073 CA ASN A 69 -18.578 8.128 -3.581 1.00 0.00 C ATOM 1074 C ASN A 69 -17.383 7.789 -4.467 1.00 0.00 C ATOM 1075 O ASN A 69 -17.275 8.370 -5.567 1.00 0.00 O ATOM 1076 CB ASN A 69 -19.852 8.237 -4.424 1.00 0.00 C ATOM 1077 CG ASN A 69 -19.909 9.518 -5.234 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -20.362 10.553 -4.747 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -19.456 9.452 -6.481 1.00 0.00 N ATOM 1080 OXT ASN A 69 -16.562 6.945 -4.052 1.00 0.00 O ATOM 0 H ASN A 69 -18.398 10.210 -3.413 1.00 0.00 H new ATOM 0 HA ASN A 69 -18.703 7.322 -2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -19.911 7.383 -5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -20.722 8.187 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.475 10.281 -7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.089 8.573 -6.844 1.00 0.00 H new TER 1087 ASN A 69